A0A077YXY6_TRITR Loading...

Moulting cycle domain containing protein

AlphaFold DB , UniProt , Accession A0A077YXY6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 952 aa.

						>A0A077YXY6_TRITR|A0A077YXY6
MNLNELVFQNLLRNEEMGNILNFHPLMQQLVITVLLFFVGETRENFPRFPLNDQTRPLIEEMRYKTVMGNLLATVATRIGRRIKNDSRLIELCVCVHETKTVSDYAKCLTPLLNKRRRKRSEENRSSSERVFAVISYFLQLARKLLFGESTNSRKRLKDSSRAASTSKPPSANGQSRYGKMFHQFWDSIDRAINERNLSKLLPDSPLPLWLEKKVRDVRELMDEMKQSDILPSLRLLSPRIMAMNPIDGSVTRILSPDLINLYDRDMARSATLQRLIDEVSIWPKLIRNMINKVKRRSSTVGPLNYLKKTQKKLSELDESLSDAQLKTIKDKGYAFLRDDQLELLYDKQSLPVQPALYSRMNEQEKEEALEEYIIKLASESNEREKRNVQVGNAVLLRAFISTSTVNEPSILGPLILSPLFSSPVVLSPQLLSPSIVSPAFASALVLSPLLLSPLILSPQILSPFVLSPILLSPFILSPMIVAPSVLSPMALNPILANPSIVSLNLLSPMTHCPSIMSPQILVATVLSPSAYSPSINSSCTGCLVQILECYENMTDEEKENELQAAIADFANKDLKESGNVEPKVSSSLRGVLLTPLVQAVTVGSPSVLGFIILSPGVFSPLILSPPLLATTIMSPLVMSPAILTPITLNPIILNPIILNPFILSPLFLSPVILTPLVMTPLIFFPTVLSPIMFVPGVMNLRILSPRFLSPLIFSSQTLYASILSPTYLSPLVETNCTLIYNDRISDQVLNWYKRLTEEDKELLLKKAIVAIAQGKQASLLERQAQVPEEVAGLLLSPVINTPQVGEPSVLGFIILSPLVYSPATLSPALFTPTILSPVVFSPAIVSPIAISPVFLSPLFISPYILTPTILTPIILAPMVLTPLILVPKVLTPLILQPGILSPDILCPRTLSPSILSSHALFAAILSPRYMSPYIRSNCSACAFIGSPCIMC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.5	Very low	41	Very low	220 Å²	220	131.1 Å²	131.1	100%	1.084	67%	0.667	S	S	*	*				0	148.5	0	-77.5	172.4	157.5	0	0	109.1
2	N	35.7	Very low	41.3	Very low	133 Å²	133	131.7 Å²	131.7	71%	0.711	67%	0.671	S	S	*	*			trans	65.9	58.5	162	-57.4	6.9	0	0	0	118
3	L	35.2	Very low	41.7	Very low	136 Å²	136	137 Å²	137	71%	0.712	68%	0.678	S	S	*	*	S	Bend	trans	-150.8	-49.1	130.5	-146.7	76	0	0	0	110.5	E5 L6	L3-E5 PolarHBondContact O-N 3.08Å; L3-L6 PolarHBondContact O-N 3.11Å
4	N	39.5	Very low	41.8	Very low	134 Å²	134	136 Å²	136	72%	0.717	68%	0.677	S	S	*	*	H	α-helix	trans	-64.7	-36.6	-174.2	-60.3	5.8	0	0	0	113.5	L6 V7 F8	N4-L6 PolarHBondContact O-N 2.84Å; N4-V7 PolarHBondContact O-N 2.75Å; N4-F8 PolarHBondContact O-N 2.76Å
5	E	44.3	Very low	42.1	Very low	123 Å²	123	139.6 Å²	139.6	58%	0.575	69%	0.691	S	S	*	*	H	α-helix	trans	-48.2	-41.8	173	-123.7	75	-140.7	0	0	113	L3 F8 Q9	L3-E5 PolarHBondContact O-N 3.08Å; E5-F8 PolarHBondContact O-N 2.99Å; E5-Q9 PolarHBondContact O-N 2.9Å; E5-Q9 VanDerWaalsContact O-N 3.14Å
6	L	40.9	Very low	42.3	Very low	112 Å²	112	142.7 Å²	142.7	59%	0.586	70%	0.703	S	S	*	*	H	α-helix	trans	-81.3	-24.1	-169	-128.8	155.2	0	0	0	111.9	L3 N4 N10	L3-L6 PolarHBondContact O-N 3.11Å; N4-L6 PolarHBondContact O-N 2.84Å; L6-N10 PolarHBondContact O-ND2 2.96Å
7	V	47.4	Very low	42.3	Very low	87 Å²	87	142.2 Å²	142.2	53%	0.527	70%	0.701	S	S	.	*	H	α-helix	trans	-74.8	-40.1	168.4	-177	0	0	0	0	110.1	N4 N10 L11	N4-V7 PolarHBondContact O-N 2.75Å; V7-N10 PolarHBondContact O-N 3.21Å; V7-L11 HydrophobicContact CG1-CD1 4.06Å; V7-L11 PolarHBondContact O-N 3Å; V7-L11 VanDerWaalsContact O-N 3.13Å
8	F	40.3	Very low	42.4	Very low	129 Å²	129	136.6 Å²	136.6	57%	0.566	69%	0.685	S	S	*	*	H	α-helix	trans	-64	-42.9	-177.9	-146.8	-91.8	0	0	0	112.6	N4 E5 N10 L12	N4-F8 PolarHBondContact O-N 2.76Å; E5-F8 PolarHBondContact O-N 2.99Å; F8-N10 VanDerWaalsContact C-N 3.34Å; F8-N10 PolarHBondContact O-N 2.98Å; F8-L12 HydrophobicContact CD1-CD1 3.93Å; F8-L12 HydrophobicContact CE1-CD1 4.07Å; F8-L12 PolarHBondContact O-N 3.28Å
9	Q	47.5	Very low	42.7	Very low	143 Å²	143	137.8 Å²	137.8	67%	0.668	69%	0.694	S	S	*	*	H	α-helix	trans	-67.1	-30.8	175.9	-72.2	-169.1	-8.1	0	0	113.8	E5	E5-Q9 PolarHBondContact O-N 2.9Å; E5-Q9 VanDerWaalsContact O-N 3.14Å
10	N	47.7	Very low	42.6	Very low	96 Å²	96	136.2 Å²	136.2	51%	0.513	69%	0.686	S	S	.	*	H	α-helix	trans	-77	-33.1	178.8	-79.1	-50.5	0	0	0	112.7	L6 V7 F8 L12 R13	L6-N10 PolarHBondContact O-ND2 2.96Å; V7-N10 PolarHBondContact O-N 3.21Å; F8-N10 VanDerWaalsContact C-N 3.34Å; F8-N10 PolarHBondContact O-N 2.98Å; N10-L12 VanDerWaalsContact C-N 3.33Å; N10-L12 PolarHBondContact O-N 3.41Å; N10-R13 PolarHBondContact O-N 3.12Å
11	L	41	Very low	42.5	Very low	129 Å²	129	135.6 Å²	135.6	68%	0.675	68%	0.684	S	S	*	*	H	α-helix	trans	-68.9	-29	176.3	-77	167.2	0	0	0	113.5	V7 R13	V7-L11 HydrophobicContact CG1-CD1 4.06Å; V7-L11 PolarHBondContact O-N 3Å; V7-L11 VanDerWaalsContact O-N 3.13Å; L11-R13 PolarHBondContact O-N 3.33Å
12	L	44.9	Very low	43.1	Very low	138 Å²	138	132.9 Å²	132.9	72%	0.723	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	4.5	178.9	-72.4	168.3	0	0	0	114.1	F8 N10	F8-L12 HydrophobicContact CD1-CD1 3.93Å; F8-L12 HydrophobicContact CE1-CD1 4.07Å; F8-L12 PolarHBondContact O-N 3.28Å; N10-L12 VanDerWaalsContact C-N 3.33Å; N10-L12 PolarHBondContact O-N 3.41Å
13	R	46.8	Very low	43.5	Very low	201 Å²	201	132.9 Å²	132.9	76%	0.758	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	4	-171.5	-144.9	175.6	-171.5	174.1	3.2	115.2	N10 L11	N10-R13 PolarHBondContact O-N 3.12Å; L11-R13 PolarHBondContact O-N 3.33Å
14	N	41.9	Very low	44.2	Very low	123 Å²	123	132 Å²	132	66%	0.658	66%	0.66	S	S	*	*			trans	-86.9	121.5	176.2	-77.7	-3.4	0	0	0	111.4	E16	N14-E16 VanDerWaalsContact C-N 3.33Å; N14-E16 PolarHBondContact O-N 3.36Å
15	E	47	Very low	44.8	Very low	190 Å²	190	129.5 Å²	129.5	89%	0.888	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-71.3	-20	-166.7	-60.7	-179.7	131.6	0	0	114.6	M17 G18	E15-M17 PolarHBondContact O-N 3.39Å; E15-M17 VanDerWaalsContact O-N 3.13Å; E15-G18 PolarHBondContact O-N 3.11Å
16	E	45.9	Very low	44.9	Very low	189 Å²	189	128.5 Å²	128.5	88%	0.883	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-64.2	-19.5	-177	-61.8	-169	145.6	0	0	114.5	N14 G18	N14-E16 VanDerWaalsContact C-N 3.33Å; N14-E16 PolarHBondContact O-N 3.36Å; E16-G18 VanDerWaalsContact C-N 3.28Å; E16-G18 PolarHBondContact O-N 3.1Å
17	M	41.5	Very low	45.2	Very low	135 Å²	135	127.8 Å²	127.8	67%	0.665	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-76.2	-9.7	-179.7	-73.6	-71.2	-74	0	0	114.1	E15 N19 I20	E15-M17 PolarHBondContact O-N 3.39Å; E15-M17 VanDerWaalsContact O-N 3.13Å; M17-N19 PolarHBondContact O-N 2.78Å; M17-N19 VanDerWaalsContact O-N 3.12Å; M17-I20 PolarHBondContact O-N 3.27Å; M17-I20 HydrophobicContact SD-CD1 4.33Å
18	G	44.2	Very low	45.3	Very low	41 Å²	41	127.4 Å²	127.4	42%	0.423	64%	0.637	S	S	.	*	G	3₁₀ helix	trans	-61.2	-22.6	-172.1	0	0	0	0	0	116	E15 E16 L21	E15-G18 PolarHBondContact O-N 3.11Å; E16-G18 VanDerWaalsContact C-N 3.28Å; E16-G18 PolarHBondContact O-N 3.1Å; G18-L21 WeakPolarHBondContact O-CD1 3.46Å
19	N	47.6	Very low	45.7	Very low	160 Å²	160	127.2 Å²	127.2	86%	0.856	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-93	1.9	-173.1	-73.3	-30.9	0	0	0	115.4	M17 L21	M17-N19 PolarHBondContact O-N 2.78Å; M17-N19 VanDerWaalsContact O-N 3.12Å; N19-L21 VanDerWaalsContact C-N 3.32Å
20	I	41	Very low	45.6	Very low	104 Å²	104	125 Å²	125	53%	0.533	63%	0.63	S	S	.	*	G	3₁₀ helix	trans	-93.3	6.3	178.7	-52.1	179.4	0	0	0	111.5	M17 N22 F23	M17-I20 PolarHBondContact O-N 3.27Å; M17-I20 HydrophobicContact SD-CD1 4.33Å; I20-N22 PolarHBondContact O-N 2.93Å; I20-N22 VanDerWaalsContact O-N 3.08Å; I20-F23 HydrophobicContact CG2-CD2 4.12Å; I20-F23 HydrophobicContact CG2-CE2 4.45Å
21	L	40.2	Very low	45.6	Very low	124 Å²	124	124.6 Å²	124.6	65%	0.649	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-0.7	-171.9	-104.1	145	0	0	0	116.7	G18 N19	G18-L21 WeakPolarHBondContact O-CD1 3.46Å; N19-L21 VanDerWaalsContact C-N 3.32Å
22	N	44.1	Very low	46.2	Very low	163 Å²	163	123 Å²	123	87%	0.872	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	16.6	-176.5	-77.2	-28.6	0	0	0	115.3	I20	I20-N22 PolarHBondContact O-N 2.93Å; I20-N22 VanDerWaalsContact O-N 3.08Å
23	F	44.1	Very low	46.4	Very low	134 Å²	134	120 Å²	120	59%	0.588	61%	0.609	S	S	*	*	S	Bend	trans	-96.3	142.7	177.1	-78.8	-82.1	0	0	0	113.5	I20	I20-F23 HydrophobicContact CG2-CD2 4.12Å; I20-F23 HydrophobicContact CG2-CE2 4.45Å
24	H	51	Low	46.5	Very low	118 Å²	118	113.7 Å²	113.7	55%	0.546	59%	0.592	S	S	.	*			trans	-46.7	139.2	-178.2	-167.2	-97	0	0	0	112.7	L26 M27 Q28	H24-L26 PolarHBondContact O-N 3.01Å; H24-L26 VanDerWaalsContact O-N 3.09Å; H24-M27 HydrophobicContact CB-CG 4.48Å; H24-M27 WeakPolarHBondContact O-CA 3.45Å; H24-M27 WeakPolarHBondContact O-CB 3.5Å; H24-M27 PolarHBondContact O-N 3.04Å; H24-Q28 PolarHBondContact O-N 3.31Å
25	P	52.6	Low	46.8	Very low	80 Å²	80	113.1 Å²	113.1	52%	0.519	59%	0.589	S	S	.	*	H	α-helix	trans	-58.5	-32.2	-171.8	20	-33.1	0	0	0	113.9	M27 Q28 Q29	P25-M27 VanDerWaalsContact C-N 3.3Å; P25-M27 PolarHBondContact O-N 3.33Å; P25-Q28 PolarHBondContact O-N 2.66Å; P25-Q29 PolarHBondContact O-N 2.85Å
26	L	45.3	Very low	46.6	Very low	102 Å²	102	109 Å²	109	53%	0.534	57%	0.572	S	S	.	*	H	α-helix	trans	-63.6	-32.5	173.1	-60.5	178.5	0	0	0	113.2	H24 L30	H24-L26 PolarHBondContact O-N 3.01Å; H24-L26 VanDerWaalsContact O-N 3.09Å; L26-L30 WeakPolarHBondContact O-CB 3.5Å; L26-L30 PolarHBondContact O-N 3.4Å
27	M	47.5	Very low	46.6	Very low	98 Å²	98	107.5 Å²	107.5	48%	0.483	56%	0.563	S	S	.	*	H	α-helix	trans	-74.6	-38.1	175.9	-70.5	-67.7	-73.1	0	0	111.4	H24 P25 L30 V31	H24-M27 HydrophobicContact CB-CG 4.48Å; H24-M27 WeakPolarHBondContact O-CA 3.45Å; H24-M27 WeakPolarHBondContact O-CB 3.5Å; H24-M27 PolarHBondContact O-N 3.04Å; P25-M27 VanDerWaalsContact C-N 3.3Å; P25-M27 PolarHBondContact O-N 3.33Å; M27-L30 PolarHBondContact O-N 3.11Å; M27-L30 HydrophobicContact SD-CD1 4.46Å; M27-V31 WeakPolarHBondContact O-CG2 3.34Å; M27-V31 PolarHBondContact O-N 3.49Å
28	Q	49.6	Very low	46.7	Very low	79 Å²	79	108.1 Å²	108.1	37%	0.369	56%	0.562	S	S	.	*	H	α-helix	trans	-61.9	-46.8	171.3	-69.3	-178.4	-20.5	0	0	110.9	H24 P25 L30 V31 I32	H24-Q28 PolarHBondContact O-N 3.31Å; P25-Q28 PolarHBondContact O-N 2.66Å; Q28-L30 PolarHBondContact O-N 2.92Å; Q28-V31 PolarHBondContact O-N 2.82Å; Q28-I32 WeakPolarHBondContact O-CB 3.42Å; Q28-I32 WeakPolarHBondContact O-CD1 3.49Å; Q28-I32 VanDerWaalsContact O-CG1 3.24Å; Q28-I32 WeakPolarHBondContact O-CG1 3.37Å; Q28-I32 PolarHBondContact O-N 3.46Å
29	Q	48.1	Very low	46.6	Very low	125 Å²	125	111.2 Å²	111.2	58%	0.584	57%	0.573	S	S	*	*	H	α-helix	trans	-60.6	-41.8	174.2	-76.3	-176.2	-30.5	0	0	112.6	P25 T33	P25-Q29 PolarHBondContact O-N 2.85Å; Q29-T33 WeakPolarHBondContact O-CB 3.32Å; Q29-T33 VanDerWaalsContact O-CG2 3.31Å; Q29-T33 WeakPolarHBondContact O-CG2 3.45Å; Q29-T33 PolarHBondContact O-N 2.97Å; Q29-T33 PolarHBondContact O-OG1 3.29Å
30	L	45.2	Very low	46.4	Very low	97 Å²	97	106.7 Å²	106.7	51%	0.508	56%	0.564	S	S	.	*	H	α-helix	trans	-62.5	-49.2	176	-93.5	163.7	0	0	0	112.3	L26 M27 Q28 I32 T33 V34	L26-L30 WeakPolarHBondContact O-CB 3.5Å; L26-L30 PolarHBondContact O-N 3.4Å; M27-L30 PolarHBondContact O-N 3.11Å; M27-L30 HydrophobicContact SD-CD1 4.46Å; Q28-L30 PolarHBondContact O-N 2.92Å; L30-I32 PolarHBondContact O-N 2.91Å; L30-T33 PolarHBondContact O-N 3.28Å; L30-T33 PolarHBondContact O-OG1 3.39Å; L30-V34 VanDerWaalsContact O-CB 3.28Å; L30-V34 WeakPolarHBondContact O-CB 3.45Å; L30-V34 WeakPolarHBondContact O-CG2 3.47Å; L30-V34 PolarHBondContact O-N 2.99Å
31	V	48.3	Very low	46.3	Very low	86 Å²	86	109 Å²	109	52%	0.521	57%	0.573	S	S	.	*	H	α-helix	trans	-63.6	-42	179.7	172.8	0	0	0	0	111.2	M27 Q28 L35	M27-V31 WeakPolarHBondContact O-CG2 3.34Å; M27-V31 PolarHBondContact O-N 3.49Å; Q28-V31 PolarHBondContact O-N 2.82Å; V31-L35 HydrophobicContact CG1-CD1 3.88Å; V31-L35 WeakPolarHBondContact O-CB 3.48Å; V31-L35 VanDerWaalsContact O-CG 3.25Å; V31-L35 WeakPolarHBondContact O-CG 3.43Å; V31-L35 PolarHBondContact O-N 3.4Å
32	I	54	Low	46.2	Very low	97 Å²	97	108 Å²	108	50%	0.497	57%	0.572	S	S	.	*	H	α-helix	trans	-67.5	-45.1	178.3	-66.9	166.8	0	0	0	111.4	Q28 L30 L35 L36	Q28-I32 WeakPolarHBondContact O-CB 3.42Å; Q28-I32 WeakPolarHBondContact O-CD1 3.49Å; Q28-I32 VanDerWaalsContact O-CG1 3.24Å; Q28-I32 WeakPolarHBondContact O-CG1 3.37Å; Q28-I32 PolarHBondContact O-N 3.46Å; L30-I32 PolarHBondContact O-N 2.91Å; I32-L35 PolarHBondContact O-N 3.47Å; I32-L36 HydrophobicContact CG2-CD1 3.85Å; I32-L36 HydrophobicContact CG2-CG 4.42Å; I32-L36 WeakPolarHBondContact O-CB 3.5Å; I32-L36 VanDerWaalsContact O-CG 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.36Å; I32-L36 PolarHBondContact O-N 3.46Å
33	T	48.9	Very low	46.1	Very low	73 Å²	73	108 Å²	108	45%	0.448	56%	0.56	S	S	.	*	H	α-helix	trans	-67.2	-37.7	178.8	50.1	0	0	0	0	112.6	Q29 L30 L36 F37	Q29-T33 WeakPolarHBondContact O-CB 3.32Å; Q29-T33 VanDerWaalsContact O-CG2 3.31Å; Q29-T33 WeakPolarHBondContact O-CG2 3.45Å; Q29-T33 PolarHBondContact O-N 2.97Å; Q29-T33 PolarHBondContact O-OG1 3.29Å; L30-T33 PolarHBondContact O-N 3.28Å; L30-T33 PolarHBondContact O-OG1 3.39Å; T33-L36 PolarHBondContact O-N 2.99Å; T33-F37 WeakPolarHBondContact O-CB 3.34Å; T33-F37 PolarHBondContact O-N 3Å
34	V	49.4	Very low	46.1	Very low	69 Å²	69	110.2 Å²	110.2	42%	0.418	57%	0.572	S	S	.	*	H	α-helix	trans	-65	-43.2	174.1	168.8	0	0	0	0	111.3	L30 F37 F38	L30-V34 VanDerWaalsContact O-CB 3.28Å; L30-V34 WeakPolarHBondContact O-CB 3.45Å; L30-V34 WeakPolarHBondContact O-CG2 3.47Å; L30-V34 PolarHBondContact O-N 2.99Å; V34-F37 PolarHBondContact O-N 3.12Å; V34-F38 HydrophobicContact CG1-CD2 3.73Å; V34-F38 HydrophobicContact CG1-CE2 3.8Å; V34-F38 WeakPolarHBondContact O-CD2 3.47Å; V34-F38 PolarHBondContact O-N 3.03Å
35	L	47	Very low	45.7	Very low	112 Å²	112	112.5 Å²	112.5	59%	0.586	59%	0.588	S	S	*	*	H	α-helix	trans	-64.7	-40.5	175.6	-74	168.8	0	0	0	112.3	V31 I32 F38 V39	V31-L35 HydrophobicContact CG1-CD1 3.88Å; V31-L35 WeakPolarHBondContact O-CB 3.48Å; V31-L35 VanDerWaalsContact O-CG 3.25Å; V31-L35 WeakPolarHBondContact O-CG 3.43Å; V31-L35 PolarHBondContact O-N 3.4Å; I32-L35 PolarHBondContact O-N 3.47Å; L35-F38 PolarHBondContact O-N 2.86Å; L35-V39 WeakPolarHBondContact O-CG2 3.31Å; L35-V39 PolarHBondContact O-N 3.47Å
36	L	44.3	Very low	45.4	Very low	102 Å²	102	113.3 Å²	113.3	53%	0.534	58%	0.584	S	S	.	*	H	α-helix	trans	-65.1	-39.3	175.4	-72.5	169.7	0	0	0	112.2	I32 T33 G40	I32-L36 HydrophobicContact CG2-CD1 3.85Å; I32-L36 HydrophobicContact CG2-CG 4.42Å; I32-L36 WeakPolarHBondContact O-CB 3.5Å; I32-L36 VanDerWaalsContact O-CG 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.36Å; I32-L36 PolarHBondContact O-N 3.46Å; T33-L36 PolarHBondContact O-N 2.99Å; L36-G40 PolarHBondContact O-N 3.24Å
37	F	45.4	Very low	45.5	Very low	158 Å²	158	110.8 Å²	110.8	69%	0.693	57%	0.574	S	S	*	*	H	α-helix	trans	-60.8	-52.3	173.9	-108.8	-91.2	0	0	0	111.8	T33 V34 V39 G40	T33-F37 WeakPolarHBondContact O-CB 3.34Å; T33-F37 PolarHBondContact O-N 3Å; V34-F37 PolarHBondContact O-N 3.12Å; F37-V39 VanDerWaalsContact C-N 3.3Å; F37-V39 PolarHBondContact O-N 2.85Å; F37-G40 PolarHBondContact O-N 3.06Å
38	F	43.2	Very low	45.4	Very low	148 Å²	148	114.7 Å²	114.7	65%	0.649	58%	0.583	S	S	*	*	H	α-helix	trans	-69.9	-21.2	-174.7	-82.1	-62.5	0	0	0	114.8	V34 L35	V34-F38 HydrophobicContact CG1-CD2 3.73Å; V34-F38 HydrophobicContact CG1-CE2 3.8Å; V34-F38 WeakPolarHBondContact O-CD2 3.47Å; V34-F38 PolarHBondContact O-N 3.03Å; L35-F38 PolarHBondContact O-N 2.86Å
39	V	41.9	Very low	45.5	Very low	107 Å²	107	113.1 Å²	113.1	65%	0.648	58%	0.575	S	S	*	*	H	α-helix	trans	-84.2	-33.9	173.9	175	0	0	0	0	111.9	L35 F37 E41 T42	L35-V39 WeakPolarHBondContact O-CG2 3.31Å; L35-V39 PolarHBondContact O-N 3.47Å; F37-V39 VanDerWaalsContact C-N 3.3Å; F37-V39 PolarHBondContact O-N 2.85Å; V39-E41 VanDerWaalsContact C-N 3.35Å; V39-E41 PolarHBondContact O-N 3.18Å; V39-T42 PolarHBondContact O-OG1 3.41Å; V39-T42 VanDerWaalsContact O-OG1 3.13Å
40	G	42.6	Very low	45.3	Very low	65 Å²	65	108.2 Å²	108.2	67%	0.67	55%	0.554	S	S	*	*	H	α-helix	trans	-71.2	-20.2	-176.9	0	0	0	0	0	115.7	L36 F37 T42	L36-G40 PolarHBondContact O-N 3.24Å; F37-G40 PolarHBondContact O-N 3.06Å; G40-T42 PolarHBondContact O-N 3.23Å
41	E	40.8	Very low	45.5	Very low	151 Å²	151	105.9 Å²	105.9	71%	0.706	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	22.2	-169.7	-152.2	159.1	-136.9	0	0	114.3	V39 R43	V39-E41 VanDerWaalsContact C-N 3.35Å; V39-E41 PolarHBondContact O-N 3.18Å; E41-R43 VanDerWaalsContact C-N 3.27Å; E41-R43 PolarHBondContact O-N 3.41Å
42	T	37.8	Very low	45.4	Very low	104 Å²	104	105.7 Å²	105.7	64%	0.638	54%	0.538	S	S	*	.			trans	-80.7	61.2	-173.6	37.6	0	0	0	0	114.3	V39 G40 E44	V39-T42 PolarHBondContact O-OG1 3.41Å; V39-T42 VanDerWaalsContact O-OG1 3.13Å; G40-T42 PolarHBondContact O-N 3.23Å; T42-E44 VanDerWaalsContact C-N 3.31Å; T42-E44 PolarHBondContact O-N 3.42Å
43	R	40.5	Very low	45.1	Very low	163 Å²	163	106.1 Å²	106.1	62%	0.615	54%	0.541	S	S	*	.	S	Bend	trans	61.6	-7.4	144.6	-130.5	179.3	-166.9	178.4	5.2	121.5	E41 S121	E41-R43 VanDerWaalsContact C-N 3.27Å; E41-R43 PolarHBondContact O-N 3.41Å; R43-S121 PolarHBondContact NH2-OG 2.95Å
44	E	44.5	Very low	44.9	Very low	181 Å²	181	110 Å²	110	85%	0.846	55%	0.554	S	S	*	*			trans	-92.5	-15.9	-167.6	-69.1	-167	158.8	0	0	116.8	T42 F46	T42-E44 VanDerWaalsContact C-N 3.31Å; T42-E44 PolarHBondContact O-N 3.42Å; E44-F46 PolarHBondContact O-N 2.99Å
45	N	43.5	Very low	44.8	Very low	165 Å²	165	107 Å²	107	88%	0.882	54%	0.536	S	S	*	.			trans	-100.3	54	-174	-77.6	-43.2	0	0	0	114.5
46	F	46.1	Very low	45	Very low	98 Å²	98	106.3 Å²	106.3	43%	0.43	53%	0.525	S	S	.	.			trans	-72.4	133.6	165.7	-83.6	-83.1	0	0	0	111	E44 R48 E372	E44-F46 PolarHBondContact O-N 2.99Å; F46-R48 PolarHBondContact O-N 2.88Å; F46-E372 WeakPolarHBondContact CB-OE2 3.46Å; F46-E372 WeakPolarHBondContact CD2-OE2 3.48Å; F46-E372 WeakPolarHBondContact CG-OE2 3.25Å
47	P	46.2	Very low	45	Very low	49 Å²	49	104.9 Å²	104.9	32%	0.318	52%	0.523	S	S	.	.			trans	-63	112.6	174	-19.1	31.3	0	0	0	109.9	F49 L357	P47-F49 PolarHBondContact O-N 3.46Å; P47-F49 VanDerWaalsContact O-N 3.12Å; P47-L357 HydrophobicContact CB-CD2 4.38Å; P47-L357 HydrophobicContact CG-CD2 3.45Å; P47-L357 VanDerWaalsContact CG-CD2 3.45Å; P47-L357 HydrophobicContact CG-CG 4.45Å
48	R	47.4	Very low	44.8	Very low	179 Å²	179	100.4 Å²	100.4	68%	0.675	51%	0.506	S	S	*	.			trans	-57.9	118.7	169.3	-62.6	175.5	-176.8	177.5	1.6	107.4	F46 P50	F46-R48 PolarHBondContact O-N 2.88Å; R48-P50 WeakPolarHBondContact O-CB 3.31Å; R48-P50 WeakPolarHBondContact O-CD 3.5Å; R48-P50 WeakPolarHBondContact O-CG 3.2Å
49	F	50	Low	45	Very low	47 Å²	47	94.2 Å²	94.2	21%	0.206	48%	0.479	C	S	.	.			trans	-57.9	102.7	166.9	-116.8	-78.4	0	0	0	107.5	P47 L51 F336 V353 Y358 A369 Y373	P47-F49 PolarHBondContact O-N 3.46Å; P47-F49 VanDerWaalsContact O-N 3.12Å; F49-L51 PolarHBondContact O-N 3.44Å; F49-L51 VanDerWaalsContact O-N 3.16Å; F49-F336 HydrophobicContact CZ-CE1 4.4Å; F49-V353 HydrophobicContact CD1-CG2 4.32Å; F49-V353 HydrophobicContact CE1-CG2 4.47Å; F49-Y358 HydrophobicContact CE1-CE2 4.22Å; F49-Y358 HydrophobicContact CE2-CE2 4.43Å; F49-Y358 AromaticContact CZ-CE2 3.68Å; F49-Y358 HydrophobicContact CZ-CE2 3.68Å; F49-A369 HydrophobicContact CD2-CB 3.81Å; F49-A369 HydrophobicContact CE2-CB 4.14Å; F49-Y373 HydrophobicContact CB-CD2 4.49Å; F49-Y373 HydrophobicContact CB-CG 4.29Å; F49-Y373 VanDerWaalsContact O-CD2 3.29Å; F49-Y373 WeakPolarHBondContact O-CD2 3.44Å; F49-Y373 WeakPolarHBondContact O-CE2 3.47Å
50	P	43.8	Very low	45.1	Very low	21 Å²	21	94.7 Å²	94.7	14%	0.136	47%	0.474	C	S	.	.			trans	-100.5	87.8	-156.1	33	-23.4	0	0	0	109.8	R48 N52 P352	R48-P50 WeakPolarHBondContact O-CB 3.31Å; R48-P50 WeakPolarHBondContact O-CD 3.5Å; R48-P50 WeakPolarHBondContact O-CG 3.2Å; P50-N52 WeakPolarHBondContact CB-OD1 3.46Å; P50-N52 PolarHBondContact O-N 3.16Å; P50-P352 HydrophobicContact CG-CB 3.74Å; P50-P352 WeakPolarHBondContact CG-O 3.33Å; P50-P352 VanDerWaalsContact O-CB 3.27Å; P50-P352 WeakPolarHBondContact O-CB 3.22Å
51	L	50.7	Low	45.4	Very low	49 Å²	49	96.6 Å²	96.6	26%	0.257	47%	0.465	S	S	.	.			trans	-68.6	66.7	154.3	-72.3	148.9	0	0	0	108.5	F49 T55 I59 M68 Y373	F49-L51 PolarHBondContact O-N 3.44Å; F49-L51 VanDerWaalsContact O-N 3.16Å; L51-T55 VanDerWaalsContact CA-OG1 3.22Å; L51-T55 WeakPolarHBondContact CA-OG1 3.32Å; L51-I59 HydrophobicContact CD2-CD1 3.3Å; L51-M68 HydrophobicContact CD1-CE 3.5Å; L51-M68 VanDerWaalsContact CD1-CE 3.5Å; L51-M68 HydrophobicContact CD1-SD 3.79Å; L51-M68 HydrophobicContact CD2-CE 4.06Å; L51-M68 HydrophobicContact CG-CE 4.45Å; L51-Y373 HydrophobicContact CD1-CE1 3.56Å; L51-Y373 WeakPolarHBondContact CD1-OH 3.4Å
52	N	45.4	Very low	45.6	Very low	82 Å²	82	95.1 Å²	95.1	44%	0.439	46%	0.46	S	S	.	.			trans	-62.2	161.5	-179.7	-80.5	-20.2	0	0	0	111.1	P50 Q54 T55 R56	P50-N52 WeakPolarHBondContact CB-OD1 3.46Å; P50-N52 PolarHBondContact O-N 3.16Å; N52-Q54 PolarHBondContact O-N 3.36Å; N52-T55 PolarHBondContact N-OG1 3.31Å; N52-T55 WeakPolarHBondContact O-CA 3.38Å; N52-T55 WeakPolarHBondContact O-CB 3.45Å; N52-T55 PolarHBondContact O-N 3.28Å; N52-T55 PolarHBondContact O-OG1 3.16Å; N52-R56 PolarHBondContact O-N 3.14Å; N52-R56 VanDerWaalsContact O-N 3.1Å
53	D	47.9	Very low	46.6	Very low	106 Å²	106	98.5 Å²	98.5	57%	0.567	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-22.4	171	-63.5	-87.3	0	0	0	113.3	R56 P57	D53-R56 WeakPolarHBondContact O-CB 3.18Å; D53-R56 PolarHBondContact O-N 2.82Å; D53-R56 IonicContact OD1-CZ 3.37Å; D53-R56 IonicContact OD1-NH1 3.08Å; D53-R56 PolarHBondContact OD1-NH1 3Å; D53-R56 IonicContact OD1-NH2 3.86Å; D53-R56 PolarHBondContact OD1-NH2 3.49Å; D53-P57 WeakPolarHBondContact O-CD 3.33Å
54	Q	44.7	Very low	47.5	Very low	153 Å²	153	93.3 Å²	93.3	72%	0.715	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-25.8	170.9	-68.7	-174.4	-12.8	0	0	114.3	N52 R56 P57	N52-Q54 PolarHBondContact O-N 3.36Å; Q54-R56 VanDerWaalsContact C-N 3.35Å; Q54-P57 WeakPolarHBondContact O-CD 3.47Å; Q54-P57 WeakPolarHBondContact O-CG 3.26Å
55	T	48	Very low	48.3	Very low	7 Å²	7	92.6 Å²	92.6	4%	0.043	44%	0.436	C	S	.	.	H	α-helix	trans	-78.8	-23.3	168.1	70.9	0	0	0	0	111.5	L51 N52 L58 I59 Y346 P352	L51-T55 VanDerWaalsContact CA-OG1 3.22Å; L51-T55 WeakPolarHBondContact CA-OG1 3.32Å; N52-T55 PolarHBondContact N-OG1 3.31Å; N52-T55 WeakPolarHBondContact O-CA 3.38Å; N52-T55 WeakPolarHBondContact O-CB 3.45Å; N52-T55 PolarHBondContact O-N 3.28Å; N52-T55 PolarHBondContact O-OG1 3.16Å; T55-L58 PolarHBondContact O-N 3.25Å; T55-I59 WeakPolarHBondContact O-CG1 3.46Å; T55-I59 PolarHBondContact O-N 2.77Å; T55-I59 VanDerWaalsContact O-N 3.15Å; T55-Y346 HydrophobicContact CG2-CE1 4.22Å; T55-P352 HydrophobicContact CG2-CB 4.44Å
56	R	50.7	Low	49	Very low	97 Å²	97	87 Å²	87	37%	0.366	41%	0.407	S	S	.	.	H	α-helix	trans	-53.4	-51.2	-179.1	-164.6	-174.5	-72.4	134.5	10.4	113.2	N52 D53 Q54 L58 I59 E60	N52-R56 PolarHBondContact O-N 3.14Å; N52-R56 VanDerWaalsContact O-N 3.1Å; D53-R56 WeakPolarHBondContact O-CB 3.18Å; D53-R56 PolarHBondContact O-N 2.82Å; D53-R56 IonicContact OD1-CZ 3.37Å; D53-R56 IonicContact OD1-NH1 3.08Å; D53-R56 PolarHBondContact OD1-NH1 3Å; D53-R56 IonicContact OD1-NH2 3.86Å; D53-R56 PolarHBondContact OD1-NH2 3.49Å; Q54-R56 VanDerWaalsContact C-N 3.35Å; R56-L58 VanDerWaalsContact C-N 3.3Å; R56-L58 PolarHBondContact O-N 2.97Å; R56-I59 CarbonylContact O-C 3.51Å; R56-I59 PolarHBondContact O-N 2.79Å; R56-I59 VanDerWaalsContact O-N 3.07Å; R56-E60 WeakPolarHBondContact CD-OE1 3.43Å; R56-E60 HydrophobicContact CG-CG 3.88Å; R56-E60 WeakPolarHBondContact CG-OE1 3.37Å; R56-E60 WeakPolarHBondContact O-CB 3.25Å; R56-E60 WeakPolarHBondContact O-CG 3.23Å; R56-E60 PolarHBondContact O-N 3.37Å
57	P	44.3	Very low	49.9	Very low	73 Å²	73	84.7 Å²	84.7	47%	0.474	40%	0.402	S	S	.	.	H	α-helix	trans	-59.6	-39.9	178.6	21.9	-34	0	0	0	113.1	D53 Q54 I59 E60 E61	D53-P57 WeakPolarHBondContact O-CD 3.33Å; Q54-P57 WeakPolarHBondContact O-CD 3.47Å; Q54-P57 WeakPolarHBondContact O-CG 3.26Å; P57-I59 PolarHBondContact O-N 3.19Å; P57-E60 WeakPolarHBondContact CA-OE2 3.3Å; P57-E60 PolarHBondContact O-N 2.94Å; P57-E61 PolarHBondContact O-N 2.84Å
58	L	40.5	Very low	51	Low	64 Å²	64	83 Å²	83	34%	0.335	39%	0.389	S	S	.	.	H	α-helix	trans	-67.7	-16.2	-179.8	-136.8	148.8	0	0	0	112.7	T55 R56	T55-L58 PolarHBondContact O-N 3.25Å; R56-L58 VanDerWaalsContact C-N 3.3Å; R56-L58 PolarHBondContact O-N 2.97Å
59	I	48.7	Very low	52.2	Low	18 Å²	18	75.5 Å²	75.5	9%	0.092	37%	0.368	C	S	.	.	H	α-helix	trans	-115.8	-17	179.5	-51.5	170.6	0	0	0	111.3	L51 T55 R56 P57 E61 M62 R63 Y64 V67	L51-I59 HydrophobicContact CD2-CD1 3.3Å; T55-I59 WeakPolarHBondContact O-CG1 3.46Å; T55-I59 PolarHBondContact O-N 2.77Å; T55-I59 VanDerWaalsContact O-N 3.15Å; R56-I59 CarbonylContact O-C 3.51Å; R56-I59 PolarHBondContact O-N 2.79Å; R56-I59 VanDerWaalsContact O-N 3.07Å; P57-I59 PolarHBondContact O-N 3.19Å; I59-E61 VanDerWaalsContact C-N 3.34Å; I59-M62 CarbonylContact O-C 3.6Å; I59-M62 VanDerWaalsContact O-C 3.25Å; I59-M62 PolarHBondContact O-N 3.28Å; I59-M62 VanDerWaalsContact O-N 3.15Å; I59-R63 CarbonylContact O-C 3.4Å; I59-R63 PolarHBondContact O-N 3.46Å; I59-Y64 HydrophobicContact CB-CD2 4.27Å; I59-Y64 HydrophobicContact CG2-CD2 3.86Å; I59-Y64 HydrophobicContact CG2-CG 4.35Å; I59-Y64 PolarHBondContact O-N 3.17Å; I59-V67 HydrophobicContact CG2-CB 4.43Å; I59-V67 HydrophobicContact CG2-CG2 4.34Å
60	E	44.3	Very low	52.9	Low	117 Å²	117	75.1 Å²	75.1	55%	0.547	37%	0.368	S	S	.	.	H	α-helix	trans	-63	-41.9	165.3	-83.2	168.4	158.9	0	0	110.4	R56 P57 M62 R63	R56-E60 WeakPolarHBondContact CD-OE1 3.43Å; R56-E60 HydrophobicContact CG-CG 3.88Å; R56-E60 WeakPolarHBondContact CG-OE1 3.37Å; R56-E60 WeakPolarHBondContact O-CB 3.25Å; R56-E60 WeakPolarHBondContact O-CG 3.23Å; R56-E60 PolarHBondContact O-N 3.37Å; P57-E60 WeakPolarHBondContact CA-OE2 3.3Å; P57-E60 PolarHBondContact O-N 2.94Å; E60-M62 PolarHBondContact O-N 2.89Å; E60-R63 PolarHBondContact O-N 2.88Å; E60-R63 VanDerWaalsContact O-N 3.11Å
61	E	48.4	Very low	54.4	Low	104 Å²	104	76.2 Å²	76.2	49%	0.486	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30	170.9	-162.6	170.3	-128.9	0	0	112.2	P57 I59 L307	P57-E61 PolarHBondContact O-N 2.84Å; I59-E61 VanDerWaalsContact C-N 3.34Å; E61-L307 WeakPolarHBondContact OE1-CD2 3.42Å
62	M	45.5	Very low	55.9	Low	120 Å²	120	73.9 Å²	73.9	59%	0.591	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	14.8	178	-68.8	-110	-74.4	0	0	114.3	I59 E60 V67	I59-M62 CarbonylContact O-C 3.6Å; I59-M62 VanDerWaalsContact O-C 3.25Å; I59-M62 PolarHBondContact O-N 3.28Å; I59-M62 VanDerWaalsContact O-N 3.15Å; E60-M62 PolarHBondContact O-N 2.89Å; M62-V67 HydrophobicContact CB-CG2 4.39Å; M62-V67 WeakPolarHBondContact O-CG2 3.41Å
63	R	56.9	Low	57.4	Low	176 Å²	176	71.2 Å²	71.2	66%	0.664	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	77.6	-173.5	-60.2	-178	177.7	-172.4	0.4	113.4	I59 E60 K65 T66 V67	I59-R63 CarbonylContact O-C 3.4Å; I59-R63 PolarHBondContact O-N 3.46Å; E60-R63 PolarHBondContact O-N 2.88Å; E60-R63 VanDerWaalsContact O-N 3.11Å; R63-K65 PolarHBondContact O-N 2.98Å; R63-T66 WeakPolarHBondContact O-CA 3.18Å; R63-T66 WeakPolarHBondContact O-CB 3.4Å; R63-T66 PolarHBondContact O-N 3.09Å; R63-V67 PolarHBondContact O-N 3.08Å
64	Y	60.1	Low	58.7	Low	54 Å²	54	66.8 Å²	66.8	21%	0.212	33%	0.327	C	S	.	.	H	α-helix	trans	-39	-42.5	174.7	-179.9	-86.9	0	0	0	115.6	I59 T66 V67 M68 Y373	I59-Y64 HydrophobicContact CB-CD2 4.27Å; I59-Y64 HydrophobicContact CG2-CD2 3.86Å; I59-Y64 HydrophobicContact CG2-CG 4.35Å; I59-Y64 PolarHBondContact O-N 3.17Å; Y64-T66 VanDerWaalsContact C-N 3.31Å; Y64-T66 PolarHBondContact O-N 3.23Å; Y64-V67 PolarHBondContact O-N 2.95Å; Y64-M68 HydrophobicContact CD1-CG 4.22Å; Y64-M68 HydrophobicContact CD2-CG 4.27Å; Y64-M68 HydrophobicContact CE1-CB 4.49Å; Y64-M68 HydrophobicContact CE1-CG 3.84Å; Y64-M68 HydrophobicContact CE2-CG 3.9Å; Y64-M68 HydrophobicContact CG-CG 4.42Å; Y64-M68 WeakPolarHBondContact O-CB 3.4Å; Y64-M68 PolarHBondContact O-N 2.84Å; Y64-Y373 PolarHBondContact OH-OH 2.97Å
65	K	60.9	Low	60.4	Low	166 Å²	166	60 Å²	60	72%	0.722	30%	0.296	S	S	*	.	H	α-helix	trans	-60.8	-37.5	177.2	-63.3	-178.4	-178.2	178.8	0	112.8	R63 G69 V102	R63-K65 PolarHBondContact O-N 2.98Å; K65-G69 WeakPolarHBondContact O-CA 3.41Å; K65-G69 PolarHBondContact O-N 3.11Å; K65-V102 HydrophobicContact CB-CG2 4.48Å
66	T	59.1	Low	61.9	Low	46 Å²	46	60.1 Å²	60.1	28%	0.282	30%	0.297	S	S	.	.	H	α-helix	trans	-74	-47.2	177	-56.2	0	0	0	0	111.1	R63 Y64 G69 N70	R63-T66 WeakPolarHBondContact O-CA 3.18Å; R63-T66 WeakPolarHBondContact O-CB 3.4Å; R63-T66 PolarHBondContact O-N 3.09Å; Y64-T66 VanDerWaalsContact C-N 3.31Å; Y64-T66 PolarHBondContact O-N 3.23Å; T66-G69 PolarHBondContact O-N 2.83Å; T66-N70 WeakPolarHBondContact O-CB 3.49Å; T66-N70 PolarHBondContact O-N 3.43Å; T66-N70 PolarHBondContact O-ND2 2.83Å; T66-N70 PolarHBondContact O-OD1 3.48Å
67	V	63.9	Low	63	Low	51 Å²	51	56.6 Å²	56.6	31%	0.309	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-48.8	179.5	-177.8	0	0	0	0	111.2	I59 M62 R63 Y64 N70 L71	I59-V67 HydrophobicContact CG2-CB 4.43Å; I59-V67 HydrophobicContact CG2-CG2 4.34Å; M62-V67 HydrophobicContact CB-CG2 4.39Å; M62-V67 WeakPolarHBondContact O-CG2 3.41Å; R63-V67 PolarHBondContact O-N 3.08Å; Y64-V67 PolarHBondContact O-N 2.95Å; V67-N70 PolarHBondContact O-N 2.89Å; V67-L71 PolarHBondContact O-N 3.02Å; V67-L71 VanDerWaalsContact O-N 3.07Å
68	M	69.8	Low	64.6	Low	12 Å²	12	55.8 Å²	55.8	6%	0.059	27%	0.274	C	S	.	.	H	α-helix	trans	-69.9	-37.7	176.9	-69.9	-64.3	119.5	0	0	112.5	L51 Y64 N70 L71 L72 V102	L51-M68 HydrophobicContact CD1-CE 3.5Å; L51-M68 VanDerWaalsContact CD1-CE 3.5Å; L51-M68 HydrophobicContact CD1-SD 3.79Å; L51-M68 HydrophobicContact CD2-CE 4.06Å; L51-M68 HydrophobicContact CG-CE 4.45Å; Y64-M68 HydrophobicContact CD1-CG 4.22Å; Y64-M68 HydrophobicContact CD2-CG 4.27Å; Y64-M68 HydrophobicContact CE1-CB 4.49Å; Y64-M68 HydrophobicContact CE1-CG 3.84Å; Y64-M68 HydrophobicContact CE2-CG 3.9Å; Y64-M68 HydrophobicContact CG-CG 4.42Å; Y64-M68 WeakPolarHBondContact O-CB 3.4Å; Y64-M68 PolarHBondContact O-N 2.84Å; M68-N70 VanDerWaalsContact C-N 3.31Å; M68-N70 PolarHBondContact O-N 3.23Å; M68-L71 PolarHBondContact O-N 3.35Å; M68-L72 WeakPolarHBondContact O-CB 3.44Å; M68-L72 VanDerWaalsContact O-CG 3.28Å; M68-L72 WeakPolarHBondContact O-CG 3.28Å; M68-L72 PolarHBondContact O-N 2.89Å; M68-V102 HydrophobicContact CB-CB 4.49Å; M68-V102 HydrophobicContact CB-CG1 3.59Å; M68-V102 HydrophobicContact CB-CG2 4Å; M68-V102 HydrophobicContact CG-CG1 4.28Å
69	G	71.9	Confident	66.3	Low	22 Å²	22	53.2 Å²	53.2	23%	0.227	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-41.9	174.3	0	0	0	0	0	112.3	K65 T66 A73	K65-G69 WeakPolarHBondContact O-CA 3.41Å; K65-G69 PolarHBondContact O-N 3.11Å; T66-G69 PolarHBondContact O-N 2.83Å; G69-A73 VanDerWaalsContact O-CB 3.26Å; G69-A73 WeakPolarHBondContact O-CB 3.45Å; G69-A73 PolarHBondContact O-N 3.5Å
70	N	65.9	Low	67.6	Low	40 Å²	40	52.9 Å²	52.9	21%	0.214	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-46.2	175.5	-68.6	-6.8	0	0	0	111.6	T66 V67 M68 A73 T74 P257	T66-N70 WeakPolarHBondContact O-CB 3.49Å; T66-N70 PolarHBondContact O-N 3.43Å; T66-N70 PolarHBondContact O-ND2 2.83Å; T66-N70 PolarHBondContact O-OD1 3.48Å; V67-N70 PolarHBondContact O-N 2.89Å; M68-N70 VanDerWaalsContact C-N 3.31Å; M68-N70 PolarHBondContact O-N 3.23Å; N70-A73 PolarHBondContact O-N 2.81Å; N70-T74 WeakPolarHBondContact O-CG2 3.5Å; N70-T74 PolarHBondContact O-N 2.93Å; N70-P257 VanDerWaalsContact OD1-CG 3.25Å; N70-P257 WeakPolarHBondContact OD1-CG 3.37Å
71	L	75.2	Confident	69	Low	43 Å²	43	55.8 Å²	55.8	23%	0.225	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-44.4	177	179.8	144	0	0	0	111.9	V67 M68 A73 T74 V75 L370	V67-L71 PolarHBondContact O-N 3.02Å; V67-L71 VanDerWaalsContact O-N 3.07Å; M68-L71 PolarHBondContact O-N 3.35Å; L71-A73 VanDerWaalsContact C-N 3.27Å; L71-A73 PolarHBondContact O-N 2.82Å; L71-T74 PolarHBondContact O-N 3.47Å; L71-T74 PolarHBondContact O-OG1 3.31Å; L71-V75 HydrophobicContact CD2-CG2 4.5Å; L71-V75 WeakPolarHBondContact O-CG2 3.46Å; L71-V75 PolarHBondContact O-N 2.92Å; L71-L370 HydrophobicContact CD1-CD1 4.4Å; L71-L370 HydrophobicContact CD2-CD1 4.24Å
72	L	82.5	Confident	70.3	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-65.8	-32.3	176.7	-66.6	177.4	0	0	0	111.5	M68 V75 A76 V102 Y105 L109 I374	M68-L72 WeakPolarHBondContact O-CB 3.44Å; M68-L72 VanDerWaalsContact O-CG 3.28Å; M68-L72 WeakPolarHBondContact O-CG 3.28Å; M68-L72 PolarHBondContact O-N 2.89Å; L72-V75 PolarHBondContact O-N 3.32Å; L72-A76 VanDerWaalsContact O-CB 3.22Å; L72-A76 WeakPolarHBondContact O-CB 3.32Å; L72-A76 PolarHBondContact O-N 3.04Å; L72-V102 HydrophobicContact CD1-CG1 3.71Å; L72-V102 WeakPolarHBondContact CD1-O 3.39Å; L72-Y105 HydrophobicContact CB-CD1 3.46Å; L72-Y105 VanDerWaalsContact CB-CD1 3.46Å; L72-Y105 HydrophobicContact CB-CE1 3.62Å; L72-Y105 HydrophobicContact CB-CG 4.17Å; L72-Y105 HydrophobicContact CD1-CD1 3.96Å; L72-Y105 HydrophobicContact CD1-CG 4.14Å; L72-Y105 HydrophobicContact CG-CD1 4.28Å; L72-Y105 WeakPolarHBondContact O-CE1 3.45Å; L72-L109 HydrophobicContact CB-CD1 4.46Å; L72-L109 HydrophobicContact CD2-CD1 4.09Å; L72-I374 HydrophobicContact CD2-CB 4.42Å; L72-I374 HydrophobicContact CD2-CD1 3.85Å; L72-I374 HydrophobicContact CD2-CG1 3.71Å; L72-I374 HydrophobicContact CD2-CG2 3.88Å
73	A	76.7	Confident	71.7	Confident	25 Å²	25	54 Å²	54	21%	0.207	25%	0.252	C	S	.	.	H	α-helix	trans	-71.4	-36.5	174.6	0	0	0	0	0	114	G69 N70 L71 A76 T77 Y105	G69-A73 VanDerWaalsContact O-CB 3.26Å; G69-A73 WeakPolarHBondContact O-CB 3.45Å; G69-A73 PolarHBondContact O-N 3.5Å; N70-A73 PolarHBondContact O-N 2.81Å; L71-A73 VanDerWaalsContact C-N 3.27Å; L71-A73 PolarHBondContact O-N 2.82Å; A73-A76 PolarHBondContact O-N 2.89Å; A73-T77 WeakPolarHBondContact O-CB 3.44Å; A73-T77 WeakPolarHBondContact O-CG2 3.49Å; A73-T77 PolarHBondContact O-N 2.93Å; A73-T77 PolarHBondContact O-OG1 3.4Å; A73-Y105 WeakPolarHBondContact CA-OH 3.47Å
74	T	74.3	Confident	72.5	Confident	14 Å²	14	55.2 Å²	55.2	9%	0.086	26%	0.262	C	S	.	.	H	α-helix	trans	-67.1	-39.6	172	60.5	0	0	0	0	110.7	N70 L71 T77 R78 L237	N70-T74 WeakPolarHBondContact O-CG2 3.5Å; N70-T74 PolarHBondContact O-N 2.93Å; L71-T74 PolarHBondContact O-N 3.47Å; L71-T74 PolarHBondContact O-OG1 3.31Å; T74-T77 PolarHBondContact O-OG1 3.39Å; T74-T77 VanDerWaalsContact O-OG1 3.09Å; T74-R78 WeakPolarHBondContact O-CB 3.47Å; T74-R78 PolarHBondContact O-N 2.79Å; T74-L237 HydrophobicContact CG2-CD2 3.82Å
75	V	80.8	Confident	73.4	Confident	11 Å²	11	56.8 Å²	56.8	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-45.3	172.2	173.9	0	0	0	0	111.4	L71 L72 R78 I79 L109 L370 I374	L71-V75 HydrophobicContact CD2-CG2 4.5Å; L71-V75 WeakPolarHBondContact O-CG2 3.46Å; L71-V75 PolarHBondContact O-N 2.92Å; L72-V75 PolarHBondContact O-N 3.32Å; V75-R78 PolarHBondContact O-N 3.25Å; V75-I79 HydrophobicContact CG1-CD1 3.65Å; V75-I79 HydrophobicContact CG1-CG1 4.42Å; V75-I79 WeakPolarHBondContact O-CB 3.38Å; V75-I79 VanDerWaalsContact O-CG1 3.27Å; V75-I79 WeakPolarHBondContact O-CG1 3.37Å; V75-I79 PolarHBondContact O-N 3.41Å; V75-L109 HydrophobicContact CG1-CD1 4.14Å; V75-L370 HydrophobicContact CG2-CD2 4.48Å; V75-I374 HydrophobicContact CB-CD1 4.41Å; V75-I374 HydrophobicContact CG1-CD1 4Å; V75-I374 HydrophobicContact CG2-CD1 4.12Å
76	A	80.2	Confident	74.1	Confident	8 Å²	8	54.8 Å²	54.8	7%	0.066	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-46.9	179.4	0	0	0	0	0	112.4	L72 A73 I79 G80 Y105 L109	L72-A76 VanDerWaalsContact O-CB 3.22Å; L72-A76 WeakPolarHBondContact O-CB 3.32Å; L72-A76 PolarHBondContact O-N 3.04Å; A73-A76 PolarHBondContact O-N 2.89Å; A76-I79 PolarHBondContact O-N 3.15Å; A76-G80 PolarHBondContact O-N 3.06Å; A76-Y105 HydrophobicContact CB-CE1 3.96Å; A76-Y105 WeakPolarHBondContact CB-OH 3.25Å; A76-L109 HydrophobicContact CB-CD2 3.86Å
77	T	74.2	Confident	75.1	Confident	24 Å²	24	56.5 Å²	56.5	15%	0.147	29%	0.285	C	S	.	.	H	α-helix	trans	-65.9	-39.3	177.2	51.3	0	0	0	0	111.9	A73 T74 I79 G80 R81 L236 L255	A73-T77 WeakPolarHBondContact O-CB 3.44Å; A73-T77 WeakPolarHBondContact O-CG2 3.49Å; A73-T77 PolarHBondContact O-N 2.93Å; A73-T77 PolarHBondContact O-OG1 3.4Å; T74-T77 PolarHBondContact O-OG1 3.39Å; T74-T77 VanDerWaalsContact O-OG1 3.09Å; T77-I79 VanDerWaalsContact C-N 3.29Å; T77-I79 PolarHBondContact O-N 3.27Å; T77-G80 PolarHBondContact O-N 3.42Å; T77-R81 WeakPolarHBondContact O-CG 3.42Å; T77-R81 PolarHBondContact O-N 2.66Å; T77-L236 HydrophobicContact CG2-CD2 4.4Å; T77-L255 HydrophobicContact CG2-CD1 4.19Å
78	R	76.8	Confident	75.7	Confident	55 Å²	55	59 Å²	59	21%	0.208	29%	0.289	C	S	.	.	H	α-helix	trans	-66	-27.6	174.1	-171.2	172.8	-179.6	-117.7	-0.8	113.2	T74 V75 Y334 E367	T74-R78 WeakPolarHBondContact O-CB 3.47Å; T74-R78 PolarHBondContact O-N 2.79Å; V75-R78 PolarHBondContact O-N 3.25Å; R78-Y334 PolarHBondContact NH1-OH 3.42Å; R78-E367 IonicContact CZ-OE1 2.62Å; R78-E367 IonicContact CZ-OE2 3.94Å; R78-E367 VanDerWaalsContact CZ-OE2 3.23Å; R78-E367 IonicContact NH1-OE1 3.15Å; R78-E367 PolarHBondContact NH1-OE1 3.14Å; R78-E367 IonicContact NH1-OE2 2.79Å; R78-E367 PolarHBondContact NH1-OE2 2.89Å; R78-E367 VanDerWaalsContact NH2-CD 3.3Å; R78-E367 IonicContact NH2-OE1 2.66Å; R78-E367 PolarHBondContact NH2-OE1 2.65Å; R78-E367 IonicContact NH2-OE2 2.66Å; R78-E367 PolarHBondContact NH2-OE2 2.8Å
79	I	76.7	Confident	76.1	Confident	10 Å²	10	61.5 Å²	61.5	5%	0.051	30%	0.302	C	S	.	.	H	α-helix	trans	-79.3	-46.7	171.1	-70.6	167.7	0	0	0	110.8	V75 A76 T77 R81 R82 I83 L109 L112 L113	V75-I79 HydrophobicContact CG1-CD1 3.65Å; V75-I79 HydrophobicContact CG1-CG1 4.42Å; V75-I79 WeakPolarHBondContact O-CB 3.38Å; V75-I79 VanDerWaalsContact O-CG1 3.27Å; V75-I79 WeakPolarHBondContact O-CG1 3.37Å; V75-I79 PolarHBondContact O-N 3.41Å; A76-I79 PolarHBondContact O-N 3.15Å; T77-I79 VanDerWaalsContact C-N 3.29Å; T77-I79 PolarHBondContact O-N 3.27Å; I79-R81 VanDerWaalsContact C-N 3.33Å; I79-R81 PolarHBondContact O-N 2.86Å; I79-R82 WeakPolarHBondContact O-CA 3.23Å; I79-R82 WeakPolarHBondContact O-CB 3.39Å; I79-R82 PolarHBondContact O-N 3.24Å; I79-I83 HydrophobicContact CG2-CD1 4.41Å; I79-L109 HydrophobicContact CD1-CD2 4.28Å; I79-L112 HydrophobicContact CG2-CB 3.86Å; I79-L112 HydrophobicContact CG2-CD1 3.8Å; I79-L112 HydrophobicContact CG2-CG 4.29Å; I79-L113 HydrophobicContact CD1-CD2 3.71Å; I79-L113 HydrophobicContact CD1-CG 4.43Å
80	G	74.9	Confident	76.4	Confident	12 Å²	12	65.2 Å²	65.2	12%	0.124	32%	0.316	C	S	.	.	H	α-helix	trans	-56.2	-43	179.3	0	0	0	0	0	112.8	A76 T77 R82 I83	A76-G80 PolarHBondContact O-N 3.06Å; T77-G80 PolarHBondContact O-N 3.42Å; G80-R82 PolarHBondContact O-N 2.79Å; G80-I83 PolarHBondContact O-N 2.78Å
81	R	75	Confident	77.1	Confident	177 Å²	177	69.2 Å²	69.2	67%	0.668	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-12.5	171.3	-76	178.7	-179.7	173.2	1.8	114.6	T77 I79	T77-R81 WeakPolarHBondContact O-CG 3.42Å; T77-R81 PolarHBondContact O-N 2.66Å; I79-R81 VanDerWaalsContact C-N 3.33Å; I79-R81 PolarHBondContact O-N 2.86Å
82	R	74.1	Confident	77.4	Confident	158 Å²	158	67.8 Å²	67.8	60%	0.596	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-3.2	176	-56.8	-172.3	-175.3	-172.8	1.2	114	I79 G80 K84	I79-R82 WeakPolarHBondContact O-CA 3.23Å; I79-R82 WeakPolarHBondContact O-CB 3.39Å; I79-R82 PolarHBondContact O-N 3.24Å; G80-R82 PolarHBondContact O-N 2.79Å; R82-K84 PolarHBondContact O-N 2.95Å
83	I	76.3	Confident	77.3	Confident	29 Å²	29	71.2 Å²	71.2	15%	0.149	35%	0.349	C	S	.	.			trans	-85.7	109.2	179.3	-60.6	177.1	0	0	0	109	I79 G80 N85 R88 L89 L92 L112	I79-I83 HydrophobicContact CG2-CD1 4.41Å; G80-I83 PolarHBondContact O-N 2.78Å; I83-N85 VanDerWaalsContact C-N 3.31Å; I83-N85 HydrophobicContact CG2-CB 4.38Å; I83-N85 VanDerWaalsContact CG2-O 3.31Å; I83-N85 WeakPolarHBondContact CG2-O 3.25Å; I83-R88 HydrophobicContact CG2-CB 3.86Å; I83-L89 HydrophobicContact CG2-CB 4.13Å; I83-L92 HydrophobicContact CD1-CD2 4.03Å; I83-L112 HydrophobicContact CD1-CD1 3.97Å; I83-L112 HydrophobicContact CD1-CD2 3.8Å; I83-L112 HydrophobicContact CG1-CD2 4.35Å
84	K	73.7	Confident	77.5	Confident	202 Å²	202	73.4 Å²	73.4	88%	0.878	36%	0.36	S	S	*	.			trans	-84	2.5	174.3	-67.6	-166.8	175.2	-169.3	0	114.6	R82	R82-K84 PolarHBondContact O-N 2.95Å
85	N	78.6	Confident	78.1	Confident	86 Å²	86	75 Å²	75	46%	0.46	37%	0.371	S	S	.	.			trans	-113.9	104.5	-177.6	-74	76.5	0	0	0	108.8	I83 S87 R88 L89	I83-N85 VanDerWaalsContact C-N 3.31Å; I83-N85 HydrophobicContact CG2-CB 4.38Å; I83-N85 VanDerWaalsContact CG2-O 3.31Å; I83-N85 WeakPolarHBondContact CG2-O 3.25Å; N85-S87 PolarHBondContact O-N 3.3Å; N85-S87 VanDerWaalsContact O-N 3.16Å; N85-R88 HydrophobicContact CB-CB 4.2Å; N85-R88 HydrophobicContact CB-CG 4.19Å; N85-R88 PolarHBondContact O-N 3.4Å; N85-L89 PolarHBondContact O-N 2.85Å; N85-L89 VanDerWaalsContact O-N 3.15Å
86	D	76.6	Confident	78.1	Confident	124 Å²	124	76 Å²	76	66%	0.663	38%	0.377	S	S	*	.	H	α-helix	trans	-54	-39.2	-177.2	-53.9	-31.8	0	0	0	112.1	R88 L89 I90	D86-R88 VanDerWaalsContact C-N 3.3Å; D86-R88 PolarHBondContact O-N 3.5Å; D86-L89 PolarHBondContact O-N 3.31Å; D86-I90 VanDerWaalsContact O-CG1 3.29Å; D86-I90 WeakPolarHBondContact O-CG1 3.37Å; D86-I90 PolarHBondContact O-N 3.34Å
87	S	78.6	Confident	78	Confident	83 Å²	83	83.9 Å²	83.9	58%	0.58	41%	0.412	S	S	*	.	H	α-helix	trans	-56.7	-38.8	175.3	54.9	0	0	0	0	113.9	N85 E91	N85-S87 PolarHBondContact O-N 3.3Å; N85-S87 VanDerWaalsContact O-N 3.16Å; S87-E91 VanDerWaalsContact O-CB 3.25Å; S87-E91 WeakPolarHBondContact O-CB 3.25Å; S87-E91 PolarHBondContact O-N 2.8Å
88	R	77.3	Confident	78.2	Confident	102 Å²	102	89.5 Å²	89.5	39%	0.385	44%	0.437	S	S	.	.	H	α-helix	trans	-79	-23.1	176.9	-68.6	-178.4	179.5	-113	-4.3	113	I83 N85 D86 L92	I83-R88 HydrophobicContact CG2-CB 3.86Å; N85-R88 HydrophobicContact CB-CB 4.2Å; N85-R88 HydrophobicContact CB-CG 4.19Å; N85-R88 PolarHBondContact O-N 3.4Å; D86-R88 VanDerWaalsContact C-N 3.3Å; D86-R88 PolarHBondContact O-N 3.5Å; R88-L92 WeakPolarHBondContact O-CB 3.36Å; R88-L92 PolarHBondContact O-N 2.72Å; R88-L92 VanDerWaalsContact O-N 3.13Å
89	L	77.6	Confident	78.2	Confident	65 Å²	65	88.5 Å²	88.5	34%	0.34	44%	0.437	S	S	.	.	H	α-helix	trans	-77.1	-40.5	173.5	-171.1	147.1	0	0	0	109.9	I83 N85 D86 L92 C93	I83-L89 HydrophobicContact CG2-CB 4.13Å; N85-L89 PolarHBondContact O-N 2.85Å; N85-L89 VanDerWaalsContact O-N 3.15Å; D86-L89 PolarHBondContact O-N 3.31Å; L89-L92 PolarHBondContact O-N 3.09Å; L89-C93 WeakPolarHBondContact O-CB 3.13Å; L89-C93 PolarHBondContact O-N 3.03Å; L89-C93 PolarHBondContact O-SG 2.77Å
90	I	77.8	Confident	78.1	Confident	101 Å²	101	97 Å²	97	52%	0.518	47%	0.474	S	S	.	.	H	α-helix	trans	-62.1	-49.3	170.5	-65.8	162.7	0	0	0	110.5	D86 L92 C93 V94	D86-I90 VanDerWaalsContact O-CG1 3.29Å; D86-I90 WeakPolarHBondContact O-CG1 3.37Å; D86-I90 PolarHBondContact O-N 3.34Å; I90-L92 VanDerWaalsContact C-N 3.31Å; I90-L92 PolarHBondContact O-N 3.01Å; I90-C93 PolarHBondContact O-N 3.37Å; I90-C93 VanDerWaalsContact O-N 3.08Å; I90-V94 HydrophobicContact CG2-CG2 4.24Å; I90-V94 WeakPolarHBondContact O-CG2 3.19Å; I90-V94 PolarHBondContact O-N 3.41Å
91	E	80.9	Confident	78.2	Confident	124 Å²	124	99.4 Å²	99.4	58%	0.579	49%	0.486	S	S	*	.	H	α-helix	trans	-52.4	-46.6	174.4	-178.2	-176.1	-160.9	0	0	111.9	S87 C95	S87-E91 VanDerWaalsContact O-CB 3.25Å; S87-E91 WeakPolarHBondContact O-CB 3.25Å; S87-E91 PolarHBondContact O-N 2.8Å; E91-C95 VanDerWaalsContact O-CB 3.31Å; E91-C95 WeakPolarHBondContact O-CB 3.43Å; E91-C95 PolarHBondContact O-N 3.28Å
92	L	82.2	Confident	78.3	Confident	13 Å²	13	91.9 Å²	91.9	7%	0.068	46%	0.46	C	S	.	.	H	α-helix	trans	-63.9	-45.1	174.6	176.5	62.7	0	0	0	112.3	I83 R88 L89 I90 V96 C108 L109 L112	I83-L92 HydrophobicContact CD1-CD2 4.03Å; R88-L92 WeakPolarHBondContact O-CB 3.36Å; R88-L92 PolarHBondContact O-N 2.72Å; R88-L92 VanDerWaalsContact O-N 3.13Å; L89-L92 PolarHBondContact O-N 3.09Å; I90-L92 VanDerWaalsContact C-N 3.31Å; I90-L92 PolarHBondContact O-N 3.01Å; L92-V96 HydrophobicContact CD1-CG2 3.94Å; L92-V96 HydrophobicContact CG-CG2 4.41Å; L92-V96 VanDerWaalsContact O-CB 3.28Å; L92-V96 WeakPolarHBondContact O-CB 3.47Å; L92-V96 VanDerWaalsContact O-CG2 3.28Å; L92-V96 WeakPolarHBondContact O-CG2 3.4Å; L92-V96 PolarHBondContact O-N 2.98Å; L92-C108 HydrophobicContact CD1-CB 4.39Å; L92-L109 HydrophobicContact CD1-CD2 4.02Å; L92-L112 HydrophobicContact CB-CD1 4.41Å; L92-L112 HydrophobicContact CD1-CD1 3.85Å; L92-L112 HydrophobicContact CD2-CD1 3.77Å; L92-L112 HydrophobicContact CG-CD1 4.22Å
93	C	79.5	Confident	78.5	Confident	73 Å²	73	86 Å²	86	49%	0.493	44%	0.442	S	S	.	.	H	α-helix	trans	-65.2	-41.3	-179.2	-76	0	0	0	0	112.7	L89 I90 H97	L89-C93 WeakPolarHBondContact O-CB 3.13Å; L89-C93 PolarHBondContact O-N 3.03Å; L89-C93 PolarHBondContact O-SG 2.77Å; I90-C93 PolarHBondContact O-N 3.37Å; I90-C93 VanDerWaalsContact O-N 3.08Å; C93-H97 WeakPolarHBondContact O-CB 3.38Å; C93-H97 PolarHBondContact O-N 3.34Å
94	V	82.4	Confident	78.7	Confident	71 Å²	71	85.9 Å²	85.9	43%	0.43	44%	0.442	S	S	.	.	H	α-helix	trans	-62.5	-53.6	174.5	171.5	0	0	0	0	109.8	I90 V96 H97 E98	I90-V94 HydrophobicContact CG2-CG2 4.24Å; I90-V94 WeakPolarHBondContact O-CG2 3.19Å; I90-V94 PolarHBondContact O-N 3.41Å; V94-V96 VanDerWaalsContact C-N 3.33Å; V94-V96 PolarHBondContact O-N 3.25Å; V94-H97 PolarHBondContact O-N 3.13Å; V94-E98 WeakPolarHBondContact CG1-OE1 3.41Å; V94-E98 WeakPolarHBondContact O-CG 3.48Å; V94-E98 PolarHBondContact O-N 3.22Å
95	C	85.2	Confident	79.2	Confident	46 Å²	46	77.6 Å²	77.6	31%	0.311	41%	0.405	S	S	.	.	H	α-helix	trans	-54.7	-49.1	178.4	-169.1	0	0	0	0	111.3	E91 H97 E98 T99 C108	E91-C95 VanDerWaalsContact O-CB 3.31Å; E91-C95 WeakPolarHBondContact O-CB 3.43Å; E91-C95 PolarHBondContact O-N 3.28Å; C95-H97 VanDerWaalsContact C-N 3.34Å; C95-H97 PolarHBondContact O-N 3.45Å; C95-E98 PolarHBondContact O-N 2.72Å; C95-T99 WeakPolarHBondContact O-CG2 3.46Å; C95-T99 PolarHBondContact O-N 2.89Å; C95-C108 HydrophobicContact CB-CB 3.83Å; C95-C108 WeakPolarHBondContact CB-SG 3.31Å; C95-C108 PolarHBondContact O-SG 2.63Å; C95-C108 VanDerWaalsContact O-SG 3.4Å; C95-C108 VanDerWaalsContact SG-CA 3.51Å; C95-C108 WeakPolarHBondContact SG-CB 3.46Å; C95-C108 CovalentContact SG-SG 2.04Å; C95-C108 PolarHBondContact SG-SG 3.05Å
96	V	82.1	Confident	79.4	Confident	34 Å²	34	73.5 Å²	73.5	21%	0.206	38%	0.384	C	S	.	.	H	α-helix	trans	-58.1	-42.1	177.1	160.9	0	0	0	0	112.4	L92 V94 E98 T99 Y105 C108	L92-V96 HydrophobicContact CD1-CG2 3.94Å; L92-V96 HydrophobicContact CG-CG2 4.41Å; L92-V96 VanDerWaalsContact O-CB 3.28Å; L92-V96 WeakPolarHBondContact O-CB 3.47Å; L92-V96 VanDerWaalsContact O-CG2 3.28Å; L92-V96 WeakPolarHBondContact O-CG2 3.4Å; L92-V96 PolarHBondContact O-N 2.98Å; V94-V96 VanDerWaalsContact C-N 3.33Å; V94-V96 PolarHBondContact O-N 3.25Å; V96-E98 VanDerWaalsContact C-N 3.32Å; V96-E98 PolarHBondContact O-N 3.41Å; V96-T99 PolarHBondContact O-N 2.93Å; V96-T99 PolarHBondContact O-OG1 2.89Å; V96-Y105 HydrophobicContact CB-CE2 4.39Å; V96-Y105 HydrophobicContact CG1-CD2 4.38Å; V96-Y105 HydrophobicContact CG1-CE2 3.56Å; V96-Y105 HydrophobicContact CG2-CE1 4.06Å; V96-Y105 HydrophobicContact CG2-CE2 4.19Å; V96-C108 HydrophobicContact CG2-CB 4.34Å
97	H	77.9	Confident	79.9	Confident	172 Å²	172	70.4 Å²	70.4	80%	0.796	36%	0.364	S	S	*	.	H	α-helix	trans	-69.7	-26.7	-179.8	-168.4	-67.8	0	0	0	113.1	C93 V94 C95 T99	C93-H97 WeakPolarHBondContact O-CB 3.38Å; C93-H97 PolarHBondContact O-N 3.34Å; V94-H97 PolarHBondContact O-N 3.13Å; C95-H97 VanDerWaalsContact C-N 3.34Å; C95-H97 PolarHBondContact O-N 3.45Å; H97-T99 VanDerWaalsContact C-N 3.34Å
98	E	78.8	Confident	80.2	Confident	142 Å²	142	66.8 Å²	66.8	66%	0.664	34%	0.339	S	S	*	.	H	α-helix	trans	-80.9	-12.6	177.5	-69.8	172.9	177.2	0	0	113.3	V94 C95 V96 K100	V94-E98 WeakPolarHBondContact CG1-OE1 3.41Å; V94-E98 WeakPolarHBondContact O-CG 3.48Å; V94-E98 PolarHBondContact O-N 3.22Å; C95-E98 PolarHBondContact O-N 2.72Å; V96-E98 VanDerWaalsContact C-N 3.32Å; V96-E98 PolarHBondContact O-N 3.41Å; E98-K100 PolarHBondContact O-N 3.12Å
99	T	76.9	Confident	80.6	Confident	35 Å²	35	62 Å²	62	22%	0.215	32%	0.321	C	S	.	.			trans	-74.2	124.1	-170.8	65	0	0	0	0	114.4	C95 V96 H97 D104 Y105 C108	C95-T99 WeakPolarHBondContact O-CG2 3.46Å; C95-T99 PolarHBondContact O-N 2.89Å; V96-T99 PolarHBondContact O-N 2.93Å; V96-T99 PolarHBondContact O-OG1 2.89Å; H97-T99 VanDerWaalsContact C-N 3.34Å; T99-D104 HydrophobicContact CG2-CB 3.82Å; T99-Y105 WeakPolarHBondContact OG1-CD2 3.22Å; T99-C108 VanDerWaalsContact CG2-SG 3.52Å
100	K	73.7	Confident	80.9	Confident	189 Å²	189	60.4 Å²	60.4	82%	0.822	31%	0.314	S	S	*	.			trans	-97.8	-16.5	175.3	-64.8	-177.6	-178.6	178.9	0	113.3	E98	E98-K100 PolarHBondContact O-N 3.12Å
101	T	76.4	Confident	81.1	Confident	62 Å²	62	59.2 Å²	59.2	38%	0.38	31%	0.313	S	S	.	.	S	Bend	trans	-130.1	157.2	179.5	78.4	0	0	0	0	113	S103 D104 Y105	T101-S103 PolarHBondContact O-N 2.8Å; T101-S103 PolarHBondContact OG1-N 3.28Å; T101-S103 PolarHBondContact OG1-OG 3.37Å; T101-D104 VanDerWaalsContact CB-OD2 3.32Å; T101-D104 WeakPolarHBondContact CB-OD2 3.32Å; T101-D104 WeakPolarHBondContact CG2-OD2 3.2Å; T101-D104 PolarHBondContact N-OD2 3.39Å; T101-D104 PolarHBondContact O-N 2.82Å; T101-D104 VanDerWaalsContact O-N 3.14Å; T101-D104 PolarHBondContact OG1-N 3.05Å; T101-D104 VanDerWaalsContact OG1-N 3.08Å; T101-D104 PolarHBondContact OG1-OD2 3.16Å; T101-Y105 PolarHBondContact O-N 2.79Å
102	V	77.5	Confident	80.9	Confident	19 Å²	19	54.5 Å²	54.5	12%	0.115	29%	0.292	C	S	.	.	H	α-helix	trans	-56.3	-38.1	173.1	176.1	0	0	0	0	111.4	K65 M68 L72 Y105 A106 L377	K65-V102 HydrophobicContact CB-CG2 4.48Å; M68-V102 HydrophobicContact CB-CB 4.49Å; M68-V102 HydrophobicContact CB-CG1 3.59Å; M68-V102 HydrophobicContact CB-CG2 4Å; M68-V102 HydrophobicContact CG-CG1 4.28Å; L72-V102 HydrophobicContact CD1-CG1 3.71Å; L72-V102 WeakPolarHBondContact CD1-O 3.39Å; V102-Y105 PolarHBondContact O-N 2.89Å; V102-A106 PolarHBondContact O-N 3.32Å; V102-L377 HydrophobicContact CG1-CD1 4.33Å
103	S	78.3	Confident	80.9	Confident	33 Å²	33	53.9 Å²	53.9	23%	0.231	29%	0.288	C	S	.	.	H	α-helix	trans	-69	-35.4	177.1	34.9	0	0	0	0	112.9	T101 A106 K107 L377	T101-S103 PolarHBondContact O-N 2.8Å; T101-S103 PolarHBondContact OG1-N 3.28Å; T101-S103 PolarHBondContact OG1-OG 3.37Å; S103-A106 WeakPolarHBondContact O-CB 3.35Å; S103-A106 PolarHBondContact O-N 3.35Å; S103-K107 WeakPolarHBondContact O-CG 3.13Å; S103-K107 PolarHBondContact O-N 3.11Å; S103-L377 WeakPolarHBondContact CB-O 3.1Å
104	D	81	Confident	80.8	Confident	27 Å²	27	53.5 Å²	53.5	14%	0.144	28%	0.281	C	S	.	.	H	α-helix	trans	-68.4	-42.3	173	-55.8	-46	0	0	0	111.1	T99 T101 A106 K107 C108	T99-D104 HydrophobicContact CG2-CB 3.82Å; T101-D104 VanDerWaalsContact CB-OD2 3.32Å; T101-D104 WeakPolarHBondContact CB-OD2 3.32Å; T101-D104 WeakPolarHBondContact CG2-OD2 3.2Å; T101-D104 PolarHBondContact N-OD2 3.39Å; T101-D104 PolarHBondContact O-N 2.82Å; T101-D104 VanDerWaalsContact O-N 3.14Å; T101-D104 PolarHBondContact OG1-N 3.05Å; T101-D104 VanDerWaalsContact OG1-N 3.08Å; T101-D104 PolarHBondContact OG1-OD2 3.16Å; D104-A106 PolarHBondContact O-N 3.29Å; D104-K107 WeakPolarHBondContact O-CA 3.34Å; D104-K107 VanDerWaalsContact O-CB 3.27Å; D104-K107 WeakPolarHBondContact O-CB 3.49Å; D104-K107 PolarHBondContact O-N 3.15Å; D104-K107 WeakPolarHBondContact OD1-CE 3.23Å; D104-K107 IonicContact OD1-NZ 3.01Å; D104-K107 PolarHBondContact OD1-NZ 3.48Å; D104-C108 PolarHBondContact O-N 2.92Å; D104-C108 VanDerWaalsContact O-N 3.14Å
105	Y	83.2	Confident	80.4	Confident	29 Å²	29	54.9 Å²	54.9	11%	0.114	28%	0.281	C	S	.	.	H	α-helix	trans	-58.9	-40	175.3	-160.5	-61	0	0	0	110.1	L72 A73 A76 V96 T99 T101 V102 C108 L109	L72-Y105 HydrophobicContact CB-CD1 3.46Å; L72-Y105 VanDerWaalsContact CB-CD1 3.46Å; L72-Y105 HydrophobicContact CB-CE1 3.62Å; L72-Y105 HydrophobicContact CB-CG 4.17Å; L72-Y105 HydrophobicContact CD1-CD1 3.96Å; L72-Y105 HydrophobicContact CD1-CG 4.14Å; L72-Y105 HydrophobicContact CG-CD1 4.28Å; L72-Y105 WeakPolarHBondContact O-CE1 3.45Å; A73-Y105 WeakPolarHBondContact CA-OH 3.47Å; A76-Y105 HydrophobicContact CB-CE1 3.96Å; A76-Y105 WeakPolarHBondContact CB-OH 3.25Å; V96-Y105 HydrophobicContact CB-CE2 4.39Å; V96-Y105 HydrophobicContact CG1-CD2 4.38Å; V96-Y105 HydrophobicContact CG1-CE2 3.56Å; V96-Y105 HydrophobicContact CG2-CE1 4.06Å; V96-Y105 HydrophobicContact CG2-CE2 4.19Å; T99-Y105 WeakPolarHBondContact OG1-CD2 3.22Å; T101-Y105 PolarHBondContact O-N 2.79Å; V102-Y105 PolarHBondContact O-N 2.89Å; Y105-C108 PolarHBondContact O-N 3.24Å; Y105-L109 HydrophobicContact CD1-CD1 4.25Å; Y105-L109 HydrophobicContact CD1-CG 4.5Å; Y105-L109 HydrophobicContact CE1-CD1 4.22Å; Y105-L109 PolarHBondContact O-N 2.92Å
106	A	84.1	Confident	79.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-42.2	172	0	0	0	0	0	112.6	V102 S103 D104 C108 L109 T110 I374 L377 A378	V102-A106 PolarHBondContact O-N 3.32Å; S103-A106 WeakPolarHBondContact O-CB 3.35Å; S103-A106 PolarHBondContact O-N 3.35Å; D104-A106 PolarHBondContact O-N 3.29Å; A106-C108 VanDerWaalsContact C-N 3.3Å; A106-C108 PolarHBondContact O-N 3.34Å; A106-L109 PolarHBondContact O-N 3.36Å; A106-T110 WeakPolarHBondContact O-CG2 3.29Å; A106-T110 PolarHBondContact O-N 3.03Å; A106-T110 VanDerWaalsContact O-N 3.15Å; A106-I374 HydrophobicContact CB-CG2 4.06Å; A106-L377 HydrophobicContact CB-CB 3.91Å; A106-A378 HydrophobicContact CB-CB 3.9Å
107	K	85.8	Confident	78.9	Confident	58 Å²	58	58.5 Å²	58.5	25%	0.252	29%	0.285	S	S	.	.	H	α-helix	trans	-51	-49.1	173.3	-65.8	172.1	-173.9	156.9	0	111.1	S103 D104 L109 T110 P111 A378 S381 E385	S103-K107 WeakPolarHBondContact O-CG 3.13Å; S103-K107 PolarHBondContact O-N 3.11Å; D104-K107 WeakPolarHBondContact O-CA 3.34Å; D104-K107 VanDerWaalsContact O-CB 3.27Å; D104-K107 WeakPolarHBondContact O-CB 3.49Å; D104-K107 PolarHBondContact O-N 3.15Å; D104-K107 WeakPolarHBondContact OD1-CE 3.23Å; D104-K107 IonicContact OD1-NZ 3.01Å; D104-K107 PolarHBondContact OD1-NZ 3.48Å; K107-L109 PolarHBondContact O-N 3.37Å; K107-T110 PolarHBondContact O-N 2.93Å; K107-T110 VanDerWaalsContact O-N 3.08Å; K107-T110 PolarHBondContact O-OG1 2.99Å; K107-P111 WeakPolarHBondContact O-CD 3.03Å; K107-A378 HydrophobicContact CG-CB 4.32Å; K107-S381 VanDerWaalsContact CE-CB 3.48Å; K107-S381 VanDerWaalsContact CE-OG 3.28Å; K107-S381 WeakPolarHBondContact CE-OG 3.34Å; K107-E385 IonicContact NZ-OE1 3.59Å; K107-E385 IonicContact NZ-OE2 2.63Å; K107-E385 PolarHBondContact NZ-OE2 2.96Å
108	C	86.2	Confident	78.1	Confident	8 Å²	8	59 Å²	59	5%	0.054	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-27.6	179.8	-60.9	0	0	0	0	113.9	L92 C95 V96 T99 D104 Y105 A106	L92-C108 HydrophobicContact CD1-CB 4.39Å; C95-C108 HydrophobicContact CB-CB 3.83Å; C95-C108 WeakPolarHBondContact CB-SG 3.31Å; C95-C108 PolarHBondContact O-SG 2.63Å; C95-C108 VanDerWaalsContact O-SG 3.4Å; C95-C108 VanDerWaalsContact SG-CA 3.51Å; C95-C108 WeakPolarHBondContact SG-CB 3.46Å; C95-C108 CovalentContact SG-SG 2.04Å; C95-C108 PolarHBondContact SG-SG 3.05Å; V96-C108 HydrophobicContact CG2-CB 4.34Å; T99-C108 VanDerWaalsContact CG2-SG 3.52Å; D104-C108 PolarHBondContact O-N 2.92Å; D104-C108 VanDerWaalsContact O-N 3.14Å; Y105-C108 PolarHBondContact O-N 3.24Å; A106-C108 VanDerWaalsContact C-N 3.3Å; A106-C108 PolarHBondContact O-N 3.34Å
109	L	85.2	Confident	77.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-85.6	-27	177	-63	179	0	0	0	113.4	L72 V75 A76 I79 L92 Y105 A106 K107 P111 L112 L113 I374	L72-L109 HydrophobicContact CB-CD1 4.46Å; L72-L109 HydrophobicContact CD2-CD1 4.09Å; V75-L109 HydrophobicContact CG1-CD1 4.14Å; A76-L109 HydrophobicContact CB-CD2 3.86Å; I79-L109 HydrophobicContact CD1-CD2 4.28Å; L92-L109 HydrophobicContact CD1-CD2 4.02Å; Y105-L109 HydrophobicContact CD1-CD1 4.25Å; Y105-L109 HydrophobicContact CD1-CG 4.5Å; Y105-L109 HydrophobicContact CE1-CD1 4.22Å; Y105-L109 PolarHBondContact O-N 2.92Å; A106-L109 PolarHBondContact O-N 3.36Å; K107-L109 PolarHBondContact O-N 3.37Å; L109-P111 VanDerWaalsContact C-CD 3.46Å; L109-L112 PolarHBondContact O-N 2.88Å; L109-L113 HydrophobicContact CB-CD1 4.21Å; L109-L113 HydrophobicContact CB-CG 4.44Å; L109-L113 WeakPolarHBondContact O-CG 3.47Å; L109-L113 PolarHBondContact O-N 3.34Å; L109-I374 HydrophobicContact CB-CG2 4.29Å; L109-I374 HydrophobicContact CD1-CG2 4.22Å
110	T	83.7	Confident	76.5	Confident	33 Å²	33	61.5 Å²	61.5	20%	0.202	28%	0.283	C	S	.	.	H	α-helix	trans	-52	-41.3	-178.1	64.7	0	0	0	0	116.3	A106 K107 L112 L113 N114 A378	A106-T110 WeakPolarHBondContact O-CG2 3.29Å; A106-T110 PolarHBondContact O-N 3.03Å; A106-T110 VanDerWaalsContact O-N 3.15Å; K107-T110 PolarHBondContact O-N 2.93Å; K107-T110 VanDerWaalsContact O-N 3.08Å; K107-T110 PolarHBondContact O-OG1 2.99Å; T110-L112 PolarHBondContact O-N 2.8Å; T110-L113 PolarHBondContact O-N 2.81Å; T110-N114 VanDerWaalsContact O-CB 3.24Å; T110-N114 WeakPolarHBondContact O-CB 3.06Å; T110-N114 PolarHBondContact O-N 2.92Å; T110-N114 PolarHBondContact O-ND2 3.4Å; T110-N114 VanDerWaalsContact O-ND2 3.15Å; T110-A378 HydrophobicContact CG2-CB 3.24Å
111	P	81.4	Confident	75.7	Confident	76 Å²	76	54.2 Å²	54.2	49%	0.494	26%	0.256	S	S	.	.	H	α-helix	trans	-66.4	-26.9	179.3	26	-35.5	0	0	0	112.8	K107 L109 K115	K107-P111 WeakPolarHBondContact O-CD 3.03Å; L109-P111 VanDerWaalsContact C-CD 3.46Å; P111-K115 WeakPolarHBondContact O-CB 3.36Å; P111-K115 PolarHBondContact O-N 2.95Å
112	L	78.4	Confident	74.7	Confident	25 Å²	25	56.8 Å²	56.8	13%	0.131	26%	0.263	C	S	.	.	H	α-helix	trans	-85	-40	-178.9	-62.3	163.8	0	0	0	111.1	I79 I83 L92 L109 T110 K115 R116	I79-L112 HydrophobicContact CG2-CB 3.86Å; I79-L112 HydrophobicContact CG2-CD1 3.8Å; I79-L112 HydrophobicContact CG2-CG 4.29Å; I83-L112 HydrophobicContact CD1-CD1 3.97Å; I83-L112 HydrophobicContact CD1-CD2 3.8Å; I83-L112 HydrophobicContact CG1-CD2 4.35Å; L92-L112 HydrophobicContact CB-CD1 4.41Å; L92-L112 HydrophobicContact CD1-CD1 3.85Å; L92-L112 HydrophobicContact CD2-CD1 3.77Å; L92-L112 HydrophobicContact CG-CD1 4.22Å; L109-L112 PolarHBondContact O-N 2.88Å; T110-L112 PolarHBondContact O-N 2.8Å; L112-K115 PolarHBondContact O-N 3.02Å; L112-R116 PolarHBondContact O-N 2.75Å
113	L	81.2	Confident	73.7	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-47	172.1	-63	179.8	0	0	0	111.4	I79 L109 T110 K115 R116 R117 E371 I374 I375	I79-L113 HydrophobicContact CD1-CD2 3.71Å; I79-L113 HydrophobicContact CD1-CG 4.43Å; L109-L113 HydrophobicContact CB-CD1 4.21Å; L109-L113 HydrophobicContact CB-CG 4.44Å; L109-L113 WeakPolarHBondContact O-CG 3.47Å; L109-L113 PolarHBondContact O-N 3.34Å; T110-L113 PolarHBondContact O-N 2.81Å; L113-K115 PolarHBondContact O-N 3.1Å; L113-R116 WeakPolarHBondContact O-CA 3.36Å; L113-R116 WeakPolarHBondContact O-CB 3.43Å; L113-R116 PolarHBondContact O-N 3.14Å; L113-R117 PolarHBondContact O-N 2.95Å; L113-E371 HydrophobicContact CD2-CB 4.15Å; L113-E371 HydrophobicContact CD2-CG 3.66Å; L113-I374 HydrophobicContact CD1-CB 3.97Å; L113-I374 HydrophobicContact CD1-CG2 3.68Å; L113-I375 HydrophobicContact CB-CD1 4.09Å; L113-I375 HydrophobicContact CB-CG1 4.19Å; L113-I375 HydrophobicContact CD1-CG1 4.06Å
114	N	78.6	Confident	72.5	Confident	65 Å²	65	65.4 Å²	65.4	35%	0.348	30%	0.302	S	S	.	.	H	α-helix	trans	-61.3	-28.2	175.1	-79.3	-43.6	0	0	0	112.8	T110 R117 R118	T110-N114 VanDerWaalsContact O-CB 3.24Å; T110-N114 WeakPolarHBondContact O-CB 3.06Å; T110-N114 PolarHBondContact O-N 2.92Å; T110-N114 PolarHBondContact O-ND2 3.4Å; T110-N114 VanDerWaalsContact O-ND2 3.15Å; N114-R117 PolarHBondContact O-N 3.23Å; N114-R118 WeakPolarHBondContact O-CB 3.4Å; N114-R118 WeakPolarHBondContact O-CG 3.44Å; N114-R118 PolarHBondContact O-N 3.03Å
115	K	72.8	Confident	71	Confident	99 Å²	99	71.5 Å²	71.5	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-71.4	-32.1	172.5	-165.8	174.4	-175.3	178.9	0	112.8	P111 L112 L113 K119	P111-K115 WeakPolarHBondContact O-CB 3.36Å; P111-K115 PolarHBondContact O-N 2.95Å; L112-K115 PolarHBondContact O-N 3.02Å; L113-K115 PolarHBondContact O-N 3.1Å; K115-K119 PolarHBondContact O-N 2.89Å
116	R	68.7	Low	69.2	Low	56 Å²	56	72.1 Å²	72.1	21%	0.211	33%	0.331	C	S	.	.	H	α-helix	trans	-65.3	-51.1	166.6	-67.1	-176.7	179.6	-160.8	3.2	110.2	L112 L113 R118 K119 R120 E371	L112-R116 PolarHBondContact O-N 2.75Å; L113-R116 WeakPolarHBondContact O-CA 3.36Å; L113-R116 WeakPolarHBondContact O-CB 3.43Å; L113-R116 PolarHBondContact O-N 3.14Å; R116-R118 VanDerWaalsContact C-N 3.31Å; R116-R118 PolarHBondContact O-N 2.93Å; R116-K119 PolarHBondContact O-N 2.84Å; R116-R120 WeakPolarHBondContact O-CB 3.09Å; R116-R120 PolarHBondContact O-N 3.36Å; R116-E371 WeakPolarHBondContact CD-OE1 3.48Å; R116-E371 IonicContact CZ-OE1 2.84Å; R116-E371 IonicContact NE-OE1 2.7Å; R116-E371 IonicContact NH1-OE1 3.2Å; R116-E371 PolarHBondContact NH1-OE1 3.18Å
117	R	67.6	Low	67.6	Low	100 Å²	100	75 Å²	75	38%	0.377	35%	0.352	S	S	.	.	H	α-helix	trans	-56.6	-42.4	-178.9	-152.4	175.2	-163.6	170.7	10.8	111.9	L113 N114 S121 E372	L113-R117 PolarHBondContact O-N 2.95Å; N114-R117 PolarHBondContact O-N 3.23Å; R117-S121 WeakPolarHBondContact O-CB 3.4Å; R117-S121 PolarHBondContact O-N 2.9Å; R117-E372 IonicContact CZ-OE1 2.71Å; R117-E372 IonicContact NH1-OE1 2.74Å; R117-E372 PolarHBondContact NH1-OE1 2.67Å; R117-E372 IonicContact NH2-OE1 2.65Å; R117-E372 PolarHBondContact NH2-OE1 2.76Å; R117-E372 IonicContact NH2-OE2 2.76Å; R117-E372 PolarHBondContact NH2-OE2 2.88Å; R117-E372 VanDerWaalsContact NH2-OE2 3.15Å
118	R	61.2	Low	65.9	Low	182 Å²	182	74.8 Å²	74.8	69%	0.687	36%	0.358	S	S	*	.	H	α-helix	trans	-63.1	-57.4	172.5	-74.8	-174.1	-174.5	-169.4	2.4	112.4	N114 R116 R120 S121 E122	N114-R118 WeakPolarHBondContact O-CB 3.4Å; N114-R118 WeakPolarHBondContact O-CG 3.44Å; N114-R118 PolarHBondContact O-N 3.03Å; R116-R118 VanDerWaalsContact C-N 3.31Å; R116-R118 PolarHBondContact O-N 2.93Å; R118-R120 VanDerWaalsContact C-N 3.34Å; R118-R120 PolarHBondContact O-N 2.94Å; R118-S121 CarbonylContact O-C 3.54Å; R118-S121 WeakPolarHBondContact O-CA 3.19Å; R118-S121 PolarHBondContact O-N 3.24Å; R118-E122 WeakPolarHBondContact O-CG 3.33Å; R118-E122 PolarHBondContact O-N 3.46Å
119	K	63	Low	64.4	Low	136 Å²	136	79 Å²	79	59%	0.591	38%	0.377	S	S	*	.	H	α-helix	trans	-54.9	-46.2	-179.4	-82.3	-165.7	163.3	-142.9	0	113.5	K115 R116 S121 E122 E123	K115-K119 PolarHBondContact O-N 2.89Å; R116-K119 PolarHBondContact O-N 2.84Å; K119-S121 VanDerWaalsContact C-N 3.33Å; K119-E122 WeakPolarHBondContact O-CB 3.36Å; K119-E122 PolarHBondContact O-N 2.78Å; K119-E123 WeakPolarHBondContact O-CB 3.23Å; K119-E123 PolarHBondContact O-N 2.9Å
120	R	58.1	Low	62.7	Low	95 Å²	95	87.3 Å²	87.3	36%	0.358	41%	0.408	S	S	.	.	H	α-helix	trans	-71.4	-31.8	-179.7	-144.9	172.7	-170.6	-170.3	-11.7	111.6	R116 R118 N124 E368	R116-R120 WeakPolarHBondContact O-CB 3.09Å; R116-R120 PolarHBondContact O-N 3.36Å; R118-R120 VanDerWaalsContact C-N 3.34Å; R118-R120 PolarHBondContact O-N 2.94Å; R120-N124 VanDerWaalsContact O-CB 3.27Å; R120-N124 WeakPolarHBondContact O-CB 3.22Å; R120-N124 VanDerWaalsContact O-CG 3.32Å; R120-N124 PolarHBondContact O-N 3.43Å; R120-E368 IonicContact CZ-OE1 3.93Å; R120-E368 IonicContact NH1-OE1 2.58Å; R120-E368 PolarHBondContact NH1-OE1 3.25Å; R120-E368 IonicContact NH1-OE2 3.32Å; R120-E368 IonicContact NH2-OE1 3.45Å; R120-E368 PolarHBondContact NH2-OE1 2.93Å
121	S	56.5	Low	61.1	Low	35 Å²	35	89.6 Å²	89.6	25%	0.245	42%	0.422	C	S	.	.	H	α-helix	trans	-76.5	-20.6	170.6	-162.3	0	0	0	0	113.4	R43 R117 R118 K119 R125	R43-S121 PolarHBondContact NH2-OG 2.95Å; R117-S121 WeakPolarHBondContact O-CB 3.4Å; R117-S121 PolarHBondContact O-N 2.9Å; R118-S121 CarbonylContact O-C 3.54Å; R118-S121 WeakPolarHBondContact O-CA 3.19Å; R118-S121 PolarHBondContact O-N 3.24Å; K119-S121 VanDerWaalsContact C-N 3.33Å; S121-R125 WeakPolarHBondContact O-CA 3.27Å; S121-R125 WeakPolarHBondContact O-CB 3.44Å; S121-R125 PolarHBondContact O-N 3.4Å
122	E	57	Low	59.6	Low	117 Å²	117	93 Å²	93	55%	0.547	43%	0.429	S	S	.	.	H	α-helix	trans	-76.9	-41.3	169.9	-73.8	155.9	-167.9	0	0	110.3	R118 K119 R125 S126	R118-E122 WeakPolarHBondContact O-CG 3.33Å; R118-E122 PolarHBondContact O-N 3.46Å; K119-E122 WeakPolarHBondContact O-CB 3.36Å; K119-E122 PolarHBondContact O-N 2.78Å; E122-R125 CarbonylContact O-C 3.58Å; E122-R125 PolarHBondContact O-N 2.95Å; E122-S126 PolarHBondContact O-N 3Å
123	E	56.6	Low	58.4	Low	131 Å²	131	94.2 Å²	94.2	61%	0.612	44%	0.443	S	S	*	.	H	α-helix	trans	-65.8	-51.2	175.7	-169.5	162.3	-141.9	0	0	111.2	K119 R125 S126 S127	K119-E123 WeakPolarHBondContact O-CB 3.23Å; K119-E123 PolarHBondContact O-N 2.9Å; E123-R125 VanDerWaalsContact C-N 3.28Å; E123-R125 PolarHBondContact O-N 3.49Å; E123-S126 WeakPolarHBondContact O-CB 3.26Å; E123-S126 PolarHBondContact O-N 3.04Å; E123-S126 VanDerWaalsContact O-N 3.12Å; E123-S126 PolarHBondContact O-OG 3.08Å; E123-S127 PolarHBondContact O-N 2.9Å; E123-S127 VanDerWaalsContact O-N 3.13Å
124	N	52.8	Low	56.9	Low	102 Å²	102	97.9 Å²	97.9	55%	0.545	47%	0.465	S	S	.	.	H	α-helix	trans	-63.3	-33.4	171.7	-72.8	7.3	0	0	0	112	R120 S127 S128	R120-N124 VanDerWaalsContact O-CB 3.27Å; R120-N124 WeakPolarHBondContact O-CB 3.22Å; R120-N124 VanDerWaalsContact O-CG 3.32Å; R120-N124 PolarHBondContact O-N 3.43Å; N124-S127 CarbonylContact O-C 3.53Å; N124-S127 WeakPolarHBondContact O-CB 3.38Å; N124-S127 PolarHBondContact O-N 3.23Å; N124-S128 PolarHBondContact O-N 2.63Å
125	R	48.6	Very low	55.5	Low	154 Å²	154	98.2 Å²	98.2	58%	0.581	47%	0.466	S	S	*	.	H	α-helix	trans	-69.3	-32.5	173.8	178.6	172.1	-174.5	149.4	8.6	112.1	S121 E122 E123 S127 S128 E129	S121-R125 WeakPolarHBondContact O-CA 3.27Å; S121-R125 WeakPolarHBondContact O-CB 3.44Å; S121-R125 PolarHBondContact O-N 3.4Å; E122-R125 CarbonylContact O-C 3.58Å; E122-R125 PolarHBondContact O-N 2.95Å; E123-R125 VanDerWaalsContact C-N 3.28Å; E123-R125 PolarHBondContact O-N 3.49Å; R125-S127 VanDerWaalsContact C-N 3.28Å; R125-S127 PolarHBondContact O-N 2.96Å; R125-S128 WeakPolarHBondContact CA-OG 3.25Å; R125-S128 PolarHBondContact O-N 2.64Å; R125-S128 PolarHBondContact O-OG 2.91Å; R125-S128 VanDerWaalsContact O-OG 3.14Å; R125-E129 HydrophobicContact CG-CG 4Å; R125-E129 VanDerWaalsContact CG-OE1 3.26Å; R125-E129 WeakPolarHBondContact CG-OE1 3.48Å; R125-E129 IonicContact CZ-OE1 2.72Å; R125-E129 IonicContact NE-OE1 3.58Å; R125-E129 PolarHBondContact NE-OE1 3.32Å; R125-E129 IonicContact NH2-OE1 2.66Å; R125-E129 WeakPolarHBondContact O-CA 3.46Å; R125-E129 WeakPolarHBondContact O-CB 3.43Å; R125-E129 WeakPolarHBondContact O-CG 3.38Å; R125-E129 PolarHBondContact O-N 2.84Å
126	S	45.6	Very low	54.6	Low	42 Å²	42	96 Å²	96	29%	0.294	46%	0.463	S	S	.	.	H	α-helix	trans	-65.8	-33.4	170.6	84.6	0	0	0	0	111.7	E122 E123 R130	E122-S126 PolarHBondContact O-N 3Å; E123-S126 WeakPolarHBondContact O-CB 3.26Å; E123-S126 PolarHBondContact O-N 3.04Å; E123-S126 VanDerWaalsContact O-N 3.12Å; E123-S126 PolarHBondContact O-OG 3.08Å; S126-R130 WeakPolarHBondContact O-CB 3.36Å; S126-R130 WeakPolarHBondContact O-CD 3.45Å; S126-R130 WeakPolarHBondContact O-CG 3.48Å; S126-R130 PolarHBondContact O-N 3.29Å
127	S	51.2	Low	53.7	Low	62 Å²	62	99.8 Å²	99.8	43%	0.434	48%	0.478	S	S	.	.	H	α-helix	trans	-72.3	-42.4	171.8	-68.9	0	0	0	0	112.2	E123 N124 R125 R130 V131	E123-S127 PolarHBondContact O-N 2.9Å; E123-S127 VanDerWaalsContact O-N 3.13Å; N124-S127 CarbonylContact O-C 3.53Å; N124-S127 WeakPolarHBondContact O-CB 3.38Å; N124-S127 PolarHBondContact O-N 3.23Å; R125-S127 VanDerWaalsContact C-N 3.28Å; R125-S127 PolarHBondContact O-N 2.96Å; S127-R130 WeakPolarHBondContact O-CB 3.17Å; S127-R130 PolarHBondContact O-N 2.91Å; S127-V131 WeakPolarHBondContact O-CG2 3.27Å; S127-V131 PolarHBondContact O-N 3.18Å
128	S	48.7	Very low	52.8	Low	53 Å²	53	100.9 Å²	100.9	37%	0.371	49%	0.486	S	S	.	.	H	α-helix	trans	-69.8	-32.5	175	71.3	0	0	0	0	112.2	N124 R125 V131 F132	N124-S128 PolarHBondContact O-N 2.63Å; R125-S128 WeakPolarHBondContact CA-OG 3.25Å; R125-S128 PolarHBondContact O-N 2.64Å; R125-S128 PolarHBondContact O-OG 2.91Å; R125-S128 VanDerWaalsContact O-OG 3.14Å; S128-V131 CarbonylContact O-C 3.59Å; S128-V131 PolarHBondContact O-N 3.32Å; S128-F132 WeakPolarHBondContact O-CB 3.27Å; S128-F132 WeakPolarHBondContact O-CD2 3.46Å; S128-F132 PolarHBondContact O-N 3.19Å
129	E	55	Low	52.3	Low	97 Å²	97	97.8 Å²	97.8	45%	0.453	48%	0.482	S	S	.	.	H	α-helix	trans	-73.8	-30.2	173.2	-74.6	170.6	176.4	0	0	111.3	R125 A133	R125-E129 HydrophobicContact CG-CG 4Å; R125-E129 VanDerWaalsContact CG-OE1 3.26Å; R125-E129 WeakPolarHBondContact CG-OE1 3.48Å; R125-E129 IonicContact CZ-OE1 2.72Å; R125-E129 IonicContact NE-OE1 3.58Å; R125-E129 PolarHBondContact NE-OE1 3.32Å; R125-E129 IonicContact NH2-OE1 2.66Å; R125-E129 WeakPolarHBondContact O-CA 3.46Å; R125-E129 WeakPolarHBondContact O-CB 3.43Å; R125-E129 WeakPolarHBondContact O-CG 3.38Å; R125-E129 PolarHBondContact O-N 2.84Å; E129-A133 WeakPolarHBondContact O-CA 3.22Å; E129-A133 WeakPolarHBondContact O-CB 3.39Å; E129-A133 PolarHBondContact O-N 2.87Å
130	R	51	Low	51.9	Low	174 Å²	174	96.8 Å²	96.8	66%	0.657	48%	0.48	S	S	*	.	H	α-helix	trans	-66.3	-41.4	164.6	-76.2	165.1	-170.8	-174.6	4.8	111.5	S126 S127 A133 V134	S126-R130 WeakPolarHBondContact O-CB 3.36Å; S126-R130 WeakPolarHBondContact O-CD 3.45Å; S126-R130 WeakPolarHBondContact O-CG 3.48Å; S126-R130 PolarHBondContact O-N 3.29Å; S127-R130 WeakPolarHBondContact O-CB 3.17Å; S127-R130 PolarHBondContact O-N 2.91Å; R130-A133 PolarHBondContact O-N 3.22Å; R130-V134 WeakPolarHBondContact O-CB 3.45Å; R130-V134 VanDerWaalsContact O-CG2 3.23Å; R130-V134 WeakPolarHBondContact O-CG2 3.34Å; R130-V134 PolarHBondContact O-N 2.91Å
131	V	49.8	Very low	51.5	Low	81 Å²	81	95.2 Å²	95.2	49%	0.491	48%	0.478	S	S	.	.	H	α-helix	trans	-67.2	-42.6	175.4	169.5	0	0	0	0	111.1	S127 S128 V134 I135	S127-V131 WeakPolarHBondContact O-CG2 3.27Å; S127-V131 PolarHBondContact O-N 3.18Å; S128-V131 CarbonylContact O-C 3.59Å; S128-V131 PolarHBondContact O-N 3.32Å; V131-V134 PolarHBondContact O-N 3.2Å; V131-I135 HydrophobicContact CG1-CD1 3.65Å; V131-I135 HydrophobicContact CG1-CG1 4.33Å; V131-I135 WeakPolarHBondContact O-CB 3.35Å; V131-I135 VanDerWaalsContact O-CG1 3.24Å; V131-I135 WeakPolarHBondContact O-CG1 3.43Å; V131-I135 PolarHBondContact O-N 2.74Å
132	F	49.8	Very low	51	Low	146 Å²	146	95.5 Å²	95.5	64%	0.64	48%	0.482	S	S	*	.	H	α-helix	trans	-66.7	-34.8	172.2	-95.2	-81.6	0	0	0	112.2	S128 S136	S128-F132 WeakPolarHBondContact O-CB 3.27Å; S128-F132 WeakPolarHBondContact O-CD2 3.46Å; S128-F132 PolarHBondContact O-N 3.19Å; F132-S136 WeakPolarHBondContact O-CB 3.37Å; F132-S136 PolarHBondContact O-N 3.06Å; F132-S136 PolarHBondContact O-OG 3.32Å
133	A	52.7	Low	50.5	Low	52 Å²	52	98.6 Å²	98.6	43%	0.43	49%	0.489	S	S	.	.	H	α-helix	trans	-67.8	-38.4	172.1	0	0	0	0	0	111.3	E129 R130 S136 Y137	E129-A133 WeakPolarHBondContact O-CA 3.22Å; E129-A133 WeakPolarHBondContact O-CB 3.39Å; E129-A133 PolarHBondContact O-N 2.87Å; R130-A133 PolarHBondContact O-N 3.22Å; A133-S136 WeakPolarHBondContact CA-OG 3.32Å; A133-S136 PolarHBondContact O-OG 2.97Å; A133-Y137 WeakPolarHBondContact O-CA 3.45Å; A133-Y137 WeakPolarHBondContact O-CB 3.2Å; A133-Y137 PolarHBondContact O-N 3.42Å
134	V	49.8	Very low	50.1	Low	76 Å²	76	98.9 Å²	98.9	46%	0.461	49%	0.488	S	S	.	.	H	α-helix	trans	-70.9	-42.1	175.2	166.5	0	0	0	0	111.2	R130 V131 Y137 F138	R130-V134 WeakPolarHBondContact O-CB 3.45Å; R130-V134 VanDerWaalsContact O-CG2 3.23Å; R130-V134 WeakPolarHBondContact O-CG2 3.34Å; R130-V134 PolarHBondContact O-N 2.91Å; V131-V134 PolarHBondContact O-N 3.2Å; V134-Y137 PolarHBondContact O-N 2.98Å; V134-F138 HydrophobicContact CG1-CD2 3.63Å; V134-F138 HydrophobicContact CG1-CE2 3.62Å; V134-F138 WeakPolarHBondContact O-CB 3.48Å; V134-F138 WeakPolarHBondContact O-CD2 3.47Å; V134-F138 PolarHBondContact O-N 2.78Å
135	I	48.2	Very low	49.7	Very low	72 Å²	72	100.4 Å²	100.4	37%	0.369	50%	0.496	S	S	.	.	H	α-helix	trans	-66.9	-45	175.4	-71	168.6	0	0	0	110.6	V131 Y137 F138 L139	V131-I135 HydrophobicContact CG1-CD1 3.65Å; V131-I135 HydrophobicContact CG1-CG1 4.33Å; V131-I135 WeakPolarHBondContact O-CB 3.35Å; V131-I135 VanDerWaalsContact O-CG1 3.24Å; V131-I135 WeakPolarHBondContact O-CG1 3.43Å; V131-I135 PolarHBondContact O-N 2.74Å; I135-Y137 VanDerWaalsContact C-N 3.34Å; I135-F138 PolarHBondContact O-N 2.7Å; I135-L139 HydrophobicContact CG2-CD1 3.91Å; I135-L139 HydrophobicContact CG2-CG 4.44Å; I135-L139 WeakPolarHBondContact O-CB 3.47Å; I135-L139 VanDerWaalsContact O-CG 3.28Å; I135-L139 WeakPolarHBondContact O-CG 3.09Å; I135-L139 PolarHBondContact O-N 3.14Å
136	S	53.7	Low	49.2	Very low	52 Å²	52	99.6 Å²	99.6	36%	0.364	50%	0.502	S	S	.	.	H	α-helix	trans	-68.6	-32	174.9	60	0	0	0	0	112.3	F132 A133 L139 Q140	F132-S136 WeakPolarHBondContact O-CB 3.37Å; F132-S136 PolarHBondContact O-N 3.06Å; F132-S136 PolarHBondContact O-OG 3.32Å; A133-S136 WeakPolarHBondContact CA-OG 3.32Å; A133-S136 PolarHBondContact O-OG 2.97Å; S136-L139 PolarHBondContact O-N 2.72Å; S136-Q140 VanDerWaalsContact O-CB 3.29Å; S136-Q140 WeakPolarHBondContact O-CB 2.86Å; S136-Q140 VanDerWaalsContact O-CG 3.23Å; S136-Q140 WeakPolarHBondContact O-CG 3.48Å; S136-Q140 PolarHBondContact O-N 3.33Å
137	Y	50.1	Low	49.1	Very low	136 Å²	136	104.5 Å²	104.5	53%	0.533	52%	0.518	S	S	.	.	H	α-helix	trans	-64.9	-45.5	168.9	176.6	-96.4	0	0	0	111.3	A133 V134 I135 L139 Q140 L141	A133-Y137 WeakPolarHBondContact O-CA 3.45Å; A133-Y137 WeakPolarHBondContact O-CB 3.2Å; A133-Y137 PolarHBondContact O-N 3.42Å; V134-Y137 PolarHBondContact O-N 2.98Å; I135-Y137 VanDerWaalsContact C-N 3.34Å; Y137-L139 PolarHBondContact O-N 3.31Å; Y137-Q140 CarbonylContact O-C 3.06Å; Y137-Q140 PolarHBondContact O-N 2.75Å; Y137-L141 HydrophobicContact CE1-CD1 4.44Å; Y137-L141 VanDerWaalsContact O-CB 3.22Å; Y137-L141 WeakPolarHBondContact O-CB 3.37Å; Y137-L141 PolarHBondContact O-N 2.75Å
138	F	50.4	Low	48.3	Very low	124 Å²	124	105.1 Å²	105.1	54%	0.544	54%	0.535	S	S	.	.	H	α-helix	trans	-67.1	-33.6	175.1	-84	-61.6	0	0	0	112.6	V134 I135 L141 A142	V134-F138 HydrophobicContact CG1-CD2 3.63Å; V134-F138 HydrophobicContact CG1-CE2 3.62Å; V134-F138 WeakPolarHBondContact O-CB 3.48Å; V134-F138 WeakPolarHBondContact O-CD2 3.47Å; V134-F138 PolarHBondContact O-N 2.78Å; I135-F138 PolarHBondContact O-N 2.7Å; F138-L141 HydrophobicContact CD1-CD2 4.21Å; F138-L141 HydrophobicContact CE1-CD2 4.4Å; F138-L141 PolarHBondContact O-N 3.33Å; F138-A142 WeakPolarHBondContact O-CB 3.13Å; F138-A142 PolarHBondContact O-N 2.8Å
139	L	50.4	Low	47.6	Very low	117 Å²	117	110.8 Å²	110.8	61%	0.613	56%	0.555	S	S	*	*	H	α-helix	trans	-69.1	-38.4	171.2	-74.5	167	0	0	0	111.6	I135 S136 Y137 R143	I135-L139 HydrophobicContact CG2-CD1 3.91Å; I135-L139 HydrophobicContact CG2-CG 4.44Å; I135-L139 WeakPolarHBondContact O-CB 3.47Å; I135-L139 VanDerWaalsContact O-CG 3.28Å; I135-L139 WeakPolarHBondContact O-CG 3.09Å; I135-L139 PolarHBondContact O-N 3.14Å; S136-L139 PolarHBondContact O-N 2.72Å; Y137-L139 PolarHBondContact O-N 3.31Å; L139-R143 WeakPolarHBondContact O-CB 3.37Å; L139-R143 PolarHBondContact O-N 2.86Å
140	Q	54.2	Low	46.4	Very low	115 Å²	115	111 Å²	111	54%	0.537	57%	0.568	S	S	.	*	H	α-helix	trans	-70.2	-33.9	172.4	-76.1	178.8	16.4	0	0	112.3	S136 Y137 R143 K144	S136-Q140 VanDerWaalsContact O-CB 3.29Å; S136-Q140 WeakPolarHBondContact O-CB 2.86Å; S136-Q140 VanDerWaalsContact O-CG 3.23Å; S136-Q140 WeakPolarHBondContact O-CG 3.48Å; S136-Q140 PolarHBondContact O-N 3.33Å; Y137-Q140 CarbonylContact O-C 3.06Å; Y137-Q140 PolarHBondContact O-N 2.75Å; Q140-R143 PolarHBondContact O-N 2.67Å; Q140-K144 WeakPolarHBondContact O-CB 3.37Å; Q140-K144 WeakPolarHBondContact O-CG 3.37Å; Q140-K144 PolarHBondContact O-N 2.79Å
141	L	50	Low	45.7	Very low	62 Å²	62	109.1 Å²	109.1	33%	0.325	58%	0.576	S	S	.	*	H	α-helix	trans	-71.3	-47.1	176.3	-164.9	84.3	0	0	0	110	Y137 F138 R143 K144 L145	Y137-L141 HydrophobicContact CE1-CD1 4.44Å; Y137-L141 VanDerWaalsContact O-CB 3.22Å; Y137-L141 WeakPolarHBondContact O-CB 3.37Å; Y137-L141 PolarHBondContact O-N 2.75Å; F138-L141 HydrophobicContact CD1-CD2 4.21Å; F138-L141 HydrophobicContact CE1-CD2 4.4Å; F138-L141 PolarHBondContact O-N 3.33Å; L141-R143 VanDerWaalsContact C-N 3.31Å; L141-R143 PolarHBondContact O-N 3.28Å; L141-K144 CarbonylContact O-C 3.59Å; L141-K144 PolarHBondContact O-N 2.79Å; L141-K144 VanDerWaalsContact O-N 3.11Å; L141-L145 HydrophobicContact CD2-CD1 4.15Å; L141-L145 HydrophobicContact CG-CD1 3.94Å; L141-L145 WeakPolarHBondContact O-CB 3.43Å; L141-L145 VanDerWaalsContact O-CG 3.25Å; L141-L145 WeakPolarHBondContact O-CG 3.17Å; L141-L145 PolarHBondContact O-N 3.48Å
142	A	46.6	Very low	44.8	Very low	40 Å²	40	112 Å²	112	33%	0.331	59%	0.589	S	S	.	*	H	α-helix	trans	-58.3	-43.9	170.7	0	0	0	0	0	110.7	F138 K144 L145 L146	F138-A142 WeakPolarHBondContact O-CB 3.13Å; F138-A142 PolarHBondContact O-N 2.8Å; A142-K144 VanDerWaalsContact C-N 3.33Å; A142-K144 PolarHBondContact O-N 3.5Å; A142-L145 PolarHBondContact O-N 3.44Å; A142-L146 HydrophobicContact CB-CD1 4.46Å; A142-L146 VanDerWaalsContact O-CB 3.24Å; A142-L146 WeakPolarHBondContact O-CB 3.19Å; A142-L146 VanDerWaalsContact O-CG 3.23Å; A142-L146 WeakPolarHBondContact O-CG 3.23Å; A142-L146 PolarHBondContact O-N 2.77Å
143	R	45.8	Very low	44	Very low	182 Å²	182	110.7 Å²	110.7	69%	0.687	60%	0.597	S	S	*	*	H	α-helix	trans	-59.8	-40.8	173.4	-171.5	172.9	-179.7	160	0.5	111.9	L139 Q140 L141 F147	L139-R143 WeakPolarHBondContact O-CB 3.37Å; L139-R143 PolarHBondContact O-N 2.86Å; Q140-R143 PolarHBondContact O-N 2.67Å; L141-R143 VanDerWaalsContact C-N 3.31Å; L141-R143 PolarHBondContact O-N 3.28Å; R143-F147 HydrophobicContact CG-CD2 4.01Å; R143-F147 CarbonylContact O-C 3.4Å; R143-F147 VanDerWaalsContact O-CA 3.32Å; R143-F147 WeakPolarHBondContact O-CA 3.24Å; R143-F147 VanDerWaalsContact O-CB 3.24Å; R143-F147 WeakPolarHBondContact O-CB 3.34Å; R143-F147 WeakPolarHBondContact O-CD2 3.28Å; R143-F147 PolarHBondContact O-N 3.4Å; R143-F147 VanDerWaalsContact O-O 3.12Å
144	K	48.7	Very low	43	Very low	137 Å²	137	118 Å²	118	60%	0.596	61%	0.614	S	S	*	*	H	α-helix	trans	-76.7	-18.7	176.7	-75.4	-179.9	176.1	-174.1	0	115.1	Q140 L141 A142	Q140-K144 WeakPolarHBondContact O-CB 3.37Å; Q140-K144 WeakPolarHBondContact O-CG 3.37Å; Q140-K144 PolarHBondContact O-N 2.79Å; L141-K144 CarbonylContact O-C 3.59Å; L141-K144 PolarHBondContact O-N 2.79Å; L141-K144 VanDerWaalsContact O-N 3.11Å; A142-K144 VanDerWaalsContact C-N 3.33Å; A142-K144 PolarHBondContact O-N 3.5Å
145	L	43.3	Very low	42	Very low	135 Å²	135	122 Å²	122	71%	0.707	63%	0.625	S	S	*	*	H	α-helix	trans	-92.1	-31	176.4	-71.7	168.3	0	0	0	112.3	L141 A142	L141-L145 HydrophobicContact CD2-CD1 4.15Å; L141-L145 HydrophobicContact CG-CD1 3.94Å; L141-L145 WeakPolarHBondContact O-CB 3.43Å; L141-L145 VanDerWaalsContact O-CG 3.25Å; L141-L145 WeakPolarHBondContact O-CG 3.17Å; L141-L145 PolarHBondContact O-N 3.48Å; A142-L145 PolarHBondContact O-N 3.44Å
146	L	37.9	Very low	41.1	Very low	136 Å²	136	128.8 Å²	128.8	71%	0.712	65%	0.646	S	S	*	*	H	α-helix	trans	-86.7	-33.7	174.6	-64.9	167.9	0	0	0	112.1	A142	A142-L146 HydrophobicContact CB-CD1 4.46Å; A142-L146 VanDerWaalsContact O-CB 3.24Å; A142-L146 WeakPolarHBondContact O-CB 3.19Å; A142-L146 VanDerWaalsContact O-CG 3.23Å; A142-L146 WeakPolarHBondContact O-CG 3.23Å; A142-L146 PolarHBondContact O-N 2.77Å
147	F	43.6	Very low	40	Very low	145 Å²	145	133.9 Å²	133.9	64%	0.636	67%	0.668	S	S	*	*	S	Bend	trans	-122	88	176.1	-48.8	-86.7	0	0	0	108.2	R143 E149	R143-F147 HydrophobicContact CG-CD2 4.01Å; R143-F147 CarbonylContact O-C 3.4Å; R143-F147 VanDerWaalsContact O-CA 3.32Å; R143-F147 WeakPolarHBondContact O-CA 3.24Å; R143-F147 VanDerWaalsContact O-CB 3.24Å; R143-F147 WeakPolarHBondContact O-CB 3.34Å; R143-F147 WeakPolarHBondContact O-CD2 3.28Å; R143-F147 PolarHBondContact O-N 3.4Å; R143-F147 VanDerWaalsContact O-O 3.12Å; F147-E149 PolarHBondContact O-N 2.78Å
148	G	35.6	Very low	39	Very low	75 Å²	75	135.1 Å²	135.1	77%	0.773	68%	0.676	S	S	*	*			trans	-72.5	92.4	-169.1	0	0	0	0	0	114.5
149	E	33.8	Very low	38	Very low	172 Å²	172	134.8 Å²	134.8	80%	0.804	68%	0.68	S	S	*	*			trans	-102.5	127.7	170.9	-72.7	-170.7	130.3	0	0	112.6	F147	F147-E149 PolarHBondContact O-N 2.78Å
150	S	29.9	Very low	37	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	69%	0.694	S	S	*	*			trans	-98.3	131.7	-179.8	179.6	0	0	0	0	111.5
151	T	36.6	Very low	35.7	Very low	134 Å²	134	134.3 Å²	134.3	82%	0.822	70%	0.7	S	S	*	*				179.3	161	117.1	29.6	0	0	0	0	113.8
152	N	29.8	Very low	34.6	Very low	142 Å²	142	142.8 Å²	142.8	76%	0.759	73%	0.727	S	S	*	*			trans	-62.6	144.4	179.3	-63.2	-81.8	0	0	0	114.8
153	S	34.1	Very low	33.7	Very low	118 Å²	118	145.9 Å²	145.9	83%	0.825	75%	0.753	S	S	*	*				-164.7	96.7	119.5	-88.7	0	0	0	0	116
154	R	29.8	Very low	32.9	Very low	204 Å²	204	141.9 Å²	141.9	77%	0.77	76%	0.759	S	S	*	*				35.4	122.1	129.3	-71.4	179.5	169	-175.6	0.1	121.1
155	K	29.7	Very low	31.8	Very low	162 Å²	162	140.1 Å²	140.1	70%	0.704	76%	0.763	S	S	*	*				71.3	153.8	126.3	-62.7	177	-179	-179.2	0	116.5
156	R	29.1	Very low	31	Very low	214 Å²	214	140 Å²	140	81%	0.808	77%	0.769	S	S	*	*			cis	-156.4	-175.7	14.6	-142.9	169	-175.1	178.9	-1.1	111.5
157	L	31.5	Very low	30.5	Very low	158 Å²	158	139.3 Å²	139.3	83%	0.827	78%	0.775	S	S	*	*			trans	76.1	65.3	159.7	-69.3	156.1	0	0	0	117.6
158	K	27.9	Very low	29.6	Very low	162 Å²	162	141.9 Å²	141.9	70%	0.704	79%	0.786	S	S	*	*			trans	-32.2	151.9	136.8	-98.1	-179.5	151.2	-71.1	0	115.4
159	D	29.5	Very low	29.2	Very low	117 Å²	117	143.9 Å²	143.9	63%	0.626	79%	0.786	S	S	*	*			trans	52.1	103.5	138.7	-44.1	-14.7	0	0	0	119.5
160	S	28.8	Very low	28.8	Very low	129 Å²	129	141.5 Å²	141.5	90%	0.902	79%	0.785	S	S	*	*			trans	-122.4	112.9	136.6	-175	0	0	0	0	108.4
161	S	28.2	Very low	28.5	Very low	94 Å²	94	141.8 Å²	141.8	66%	0.657	79%	0.787	S	S	*	*			trans	-137.8	132.1	-178.1	66.1	0	0	0	0	110.1
162	R	27.5	Very low	28.2	Very low	240 Å²	240	139.9 Å²	139.9	91%	0.906	79%	0.785	S	S	*	*			trans	72.3	157.3	-176.8	-57.3	175.1	167.8	163	-4.6	114.6
163	A	27.7	Very low	28.3	Very low	105 Å²	105	140.9 Å²	140.9	87%	0.868	79%	0.79	S	S	*	*			trans	62.9	144.1	-162.1	0	0	0	0	0	114.1
164	A	27.7	Very low	28.1	Very low	98 Å²	98	138.6 Å²	138.6	81%	0.81	79%	0.786	S	S	*	*			cis	-127.4	164.6	-0.2	0	0	0	0	0	112.3
165	S	26.5	Very low	28.5	Very low	99 Å²	99	135 Å²	135	69%	0.692	78%	0.778	S	S	*	*			trans	-75.3	171	177.1	55.4	0	0	0	0	113.5
166	T	25.8	Very low	28.9	Very low	134 Å²	134	130.8 Å²	130.8	82%	0.822	77%	0.768	S	S	*	*			trans	56.9	94.5	151.8	47.4	0	0	0	0	118.4
167	S	28.4	Very low	29.1	Very low	120 Å²	120	131 Å²	131	84%	0.839	77%	0.769	S	S	*	*			trans	-137.3	131.1	146.5	57.7	0	0	0	0	110.3
168	K	23.3	Very low	29.3	Very low	199 Å²	199	132.6 Å²	132.6	87%	0.865	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-81.3	137.7	175.1	-68	177.5	177.9	176.2	0	109.4
169	P	27.4	Very low	29.8	Very low	118 Å²	118	126.1 Å²	126.1	77%	0.766	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-66.5	147.7	154.1	30.7	-32.5	0	0	0	109.5
170	P	26.5	Very low	30.4	Very low	122 Å²	122	126 Å²	126	79%	0.792	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-83.1	164.1	-165.8	-12.2	30.3	0	0	0	114.5	A172	P170-A172 PolarHBondContact O-N 3.35Å
171	S	23.6	Very low	30.8	Very low	109 Å²	109	124.3 Å²	124.3	76%	0.762	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-58.6	121.2	160.8	155.7	0	0	0	0	110.6
172	A	30.4	Very low	31.4	Very low	94 Å²	94	126 Å²	126	78%	0.777	71%	0.714	S	S	*	*			trans	-123.1	96.3	169.2	0	0	0	0	0	109.7	P170 G174	P170-A172 PolarHBondContact O-N 3.35Å; A172-G174 PolarHBondContact O-N 3.13Å
173	N	30.2	Very low	32.3	Very low	162 Å²	162	120.2 Å²	120.2	87%	0.866	70%	0.696	S	S	*	*			trans	-69.6	79.5	173.6	-96.6	-36	0	0	0	110.3
174	G	30.5	Very low	33.4	Very low	71 Å²	71	121.2 Å²	121.2	73%	0.732	68%	0.683	S	S	*	*			trans	-106.1	19.6	-173.9	0	0	0	0	0	115.5	A172 S176	A172-G174 PolarHBondContact O-N 3.13Å; G174-S176 PolarHBondContact O-N 2.92Å; G174-S176 VanDerWaalsContact O-N 3.14Å
175	Q	37.7	Very low	34.3	Very low	129 Å²	129	122.2 Å²	122.2	60%	0.603	67%	0.669	S	S	*	*			trans	-60.4	117.4	173.4	-88.2	-176	-25.9	0	0	110.1	K180	Q175-K180 HydrophobicContact CB-CG 4.34Å
176	S	38.5	Very low	35.3	Very low	73 Å²	73	123 Å²	123	51%	0.51	66%	0.657	S	S	.	*			trans	-61.1	147.7	176.8	73.1	0	0	0	0	110.8	G174 Y178 G179 K180	G174-S176 PolarHBondContact O-N 2.92Å; G174-S176 VanDerWaalsContact O-N 3.14Å; S176-Y178 PolarHBondContact O-N 2.74Å; S176-Y178 VanDerWaalsContact O-N 3.16Å; S176-G179 PolarHBondContact O-N 2.72Å; S176-G179 PolarHBondContact OG-N 2.87Å; S176-G179 VanDerWaalsContact OG-N 3.17Å; S176-K180 PolarHBondContact O-N 3.49Å
177	R	33.1	Very low	36.7	Very low	219 Å²	219	120.3 Å²	120.3	83%	0.826	64%	0.638	S	S	*	*	H	α-helix	trans	-57.1	-32.6	-180	-161.7	174.2	-175.9	177.3	0.8	112	M181	R177-M181 WeakPolarHBondContact O-CG 3.37Å; R177-M181 PolarHBondContact O-N 2.83Å
178	Y	35.3	Very low	37.5	Very low	190 Å²	190	117.7 Å²	117.7	75%	0.745	62%	0.62	S	S	*	*	H	α-helix	trans	-68.2	-42.2	172.4	-84.2	-82.6	0	0	0	113.6	S176 K180 M181 F182	S176-Y178 PolarHBondContact O-N 2.74Å; S176-Y178 VanDerWaalsContact O-N 3.16Å; Y178-K180 VanDerWaalsContact C-N 3.29Å; Y178-K180 PolarHBondContact O-N 3.26Å; Y178-M181 HydrophobicContact CD1-CE 3.89Å; Y178-M181 HydrophobicContact CE1-CE 4.05Å; Y178-M181 HydrophobicContact CG-CE 4.25Å; Y178-M181 PolarHBondContact O-N 2.8Å; Y178-F182 WeakPolarHBondContact O-CB 3.25Å; Y178-F182 PolarHBondContact O-N 3.21Å
179	G	38.7	Very low	38.5	Very low	27 Å²	27	110.8 Å²	110.8	28%	0.278	59%	0.592	S	S	.	*	H	α-helix	trans	-60.4	-38.3	178.3	0	0	0	0	0	112.8	S176 H183	S176-G179 PolarHBondContact O-N 2.72Å; S176-G179 PolarHBondContact OG-N 2.87Å; S176-G179 VanDerWaalsContact OG-N 3.17Å; G179-H183 PolarHBondContact O-CD2 2.81Å; G179-H183 PolarHBondContact O-N 3.11Å; G179-H183 VanDerWaalsContact O-N 3.16Å
180	K	42.8	Very low	39.5	Very low	113 Å²	113	109.2 Å²	109.2	49%	0.491	58%	0.577	S	S	.	*	H	α-helix	trans	-66.9	-44.7	173.9	-72.6	-170.4	172.2	-175	0	112.8	Q175 S176 Y178 F182 H183 Q184	Q175-K180 HydrophobicContact CB-CG 4.34Å; S176-K180 PolarHBondContact O-N 3.49Å; Y178-K180 VanDerWaalsContact C-N 3.29Å; Y178-K180 PolarHBondContact O-N 3.26Å; K180-F182 VanDerWaalsContact C-N 3.32Å; K180-F182 PolarHBondContact O-N 2.81Å; K180-H183 PolarHBondContact O-N 2.83Å; K180-Q184 WeakPolarHBondContact O-CB 3.26Å; K180-Q184 WeakPolarHBondContact O-CG 3.48Å; K180-Q184 PolarHBondContact O-N 3.03Å
181	M	37.9	Very low	41	Very low	94 Å²	94	110.3 Å²	110.3	46%	0.463	57%	0.565	S	S	.	*	H	α-helix	trans	-63.4	-38.1	176.3	-68.8	-171.4	-56.2	0	0	112.2	R177 Y178 Q184 F185	R177-M181 WeakPolarHBondContact O-CG 3.37Å; R177-M181 PolarHBondContact O-N 2.83Å; Y178-M181 HydrophobicContact CD1-CE 3.89Å; Y178-M181 HydrophobicContact CE1-CE 4.05Å; Y178-M181 HydrophobicContact CG-CE 4.25Å; Y178-M181 PolarHBondContact O-N 2.8Å; M181-Q184 PolarHBondContact O-N 2.96Å; M181-F185 VanDerWaalsContact O-CB 3.31Å; M181-F185 WeakPolarHBondContact O-CB 3.41Å; M181-F185 PolarHBondContact O-N 2.96Å
182	F	40.7	Very low	42.1	Very low	131 Å²	131	108.6 Å²	108.6	58%	0.575	56%	0.558	S	S	*	*	H	α-helix	trans	-64.1	-45.7	178.1	-169.3	-97.2	0	0	0	111.9	Y178 K180 F185 W186	Y178-F182 WeakPolarHBondContact O-CB 3.25Å; Y178-F182 PolarHBondContact O-N 3.21Å; K180-F182 VanDerWaalsContact C-N 3.32Å; K180-F182 PolarHBondContact O-N 2.81Å; F182-F185 PolarHBondContact O-N 3.41Å; F182-W186 AromaticContact CD1-CD1 3.78Å; F182-W186 AromaticContact CE1-CD1 3.54Å; F182-W186 AromaticContact CE1-NE1 3.46Å; F182-W186 AromaticContact CE2-NE1 3.48Å; F182-W186 AromaticContact CZ-CD1 3.74Å; F182-W186 AromaticContact CZ-NE1 3.15Å; F182-W186 VanDerWaalsContact O-CD1 3.23Å; F182-W186 PolarHBondContact O-N 3.39Å
183	H	46.1	Very low	43	Very low	117 Å²	117	109.9 Å²	109.9	54%	0.542	55%	0.55	S	S	.	*	H	α-helix	trans	-63.3	-46.3	173.3	-85.5	-75.4	0	0	0	112.4	G179 K180 F185 W186 D187	G179-H183 PolarHBondContact O-CD2 2.81Å; G179-H183 PolarHBondContact O-N 3.11Å; G179-H183 VanDerWaalsContact O-N 3.16Å; K180-H183 PolarHBondContact O-N 2.83Å; H183-F185 PolarHBondContact O-N 3.45Å; H183-W186 PolarHBondContact O-N 2.93Å; H183-D187 WeakPolarHBondContact O-CB 3.23Å; H183-D187 VanDerWaalsContact O-CG 3.24Å; H183-D187 PolarHBondContact O-N 2.92Å
184	Q	49.7	Very low	44.1	Very low	126 Å²	126	107.8 Å²	107.8	59%	0.589	54%	0.539	S	S	*	.	H	α-helix	trans	-62.1	-29.4	178.6	-73.3	-178.6	-52.1	0	0	113.7	K180 M181 S188	K180-Q184 WeakPolarHBondContact O-CB 3.26Å; K180-Q184 WeakPolarHBondContact O-CG 3.48Å; K180-Q184 PolarHBondContact O-N 3.03Å; M181-Q184 PolarHBondContact O-N 2.96Å; Q184-S188 PolarHBondContact O-N 3.23Å; Q184-S188 PolarHBondContact O-OG 3.13Å
185	F	46.5	Very low	45.1	Very low	119 Å²	119	111.1 Å²	111.1	52%	0.522	54%	0.536	S	S	.	.	H	α-helix	trans	-69.5	-50.6	174.6	174.8	-100.1	0	0	0	111.5	M181 F182 H183 S188 I189	M181-F185 VanDerWaalsContact O-CB 3.31Å; M181-F185 WeakPolarHBondContact O-CB 3.41Å; M181-F185 PolarHBondContact O-N 2.96Å; F182-F185 PolarHBondContact O-N 3.41Å; H183-F185 PolarHBondContact O-N 3.45Å; F185-S188 WeakPolarHBondContact O-CB 3.29Å; F185-S188 PolarHBondContact O-N 2.99Å; F185-S188 VanDerWaalsContact O-N 3.11Å; F185-I189 HydrophobicContact CD1-CD1 4.07Å; F185-I189 HydrophobicContact CE1-CD1 3.44Å; F185-I189 VanDerWaalsContact CE1-CD1 3.44Å; F185-I189 HydrophobicContact CE2-CD1 4.24Å; F185-I189 HydrophobicContact CZ-CD1 3.55Å; F185-I189 PolarHBondContact O-N 3.44Å
186	W	48.3	Very low	45.5	Very low	115 Å²	115	116.2 Å²	116.2	44%	0.436	55%	0.549	S	S	.	.	H	α-helix	trans	-66.5	-40.3	177.2	-72.9	107.4	0	0	0	112.4	F182 H183 S188 I189 D190	F182-W186 AromaticContact CD1-CD1 3.78Å; F182-W186 AromaticContact CE1-CD1 3.54Å; F182-W186 AromaticContact CE1-NE1 3.46Å; F182-W186 AromaticContact CE2-NE1 3.48Å; F182-W186 AromaticContact CZ-CD1 3.74Å; F182-W186 AromaticContact CZ-NE1 3.15Å; F182-W186 VanDerWaalsContact O-CD1 3.23Å; F182-W186 PolarHBondContact O-N 3.39Å; H183-W186 PolarHBondContact O-N 2.93Å; W186-S188 PolarHBondContact O-N 3.4Å; W186-S188 VanDerWaalsContact O-N 3.1Å; W186-I189 HydrophobicContact CE3-CB 4.31Å; W186-I189 HydrophobicContact CE3-CD1 4.08Å; W186-I189 HydrophobicContact CE3-CG2 4.25Å; W186-I189 HydrophobicContact CZ3-CD1 4.06Å; W186-I189 HydrophobicContact CZ3-CG2 4.28Å; W186-I189 PolarHBondContact O-N 3.45Å; W186-D190 PolarHBondContact O-N 2.77Å
187	D	55.1	Low	45.6	Very low	79 Å²	79	117.3 Å²	117.3	42%	0.422	55%	0.55	S	S	.	.	H	α-helix	trans	-57.3	-26.9	171.7	-70.6	-13.1	0	0	0	112.5	H183 R191	H183-D187 WeakPolarHBondContact O-CB 3.23Å; H183-D187 VanDerWaalsContact O-CG 3.24Å; H183-D187 PolarHBondContact O-N 2.92Å; D187-R191 WeakPolarHBondContact O-CG 3.34Å; D187-R191 PolarHBondContact O-N 2.56Å; D187-R191 PolarHBondContact O-NE 3.49Å; D187-R191 PolarHBondContact O-NH2 3.27Å
188	S	44.9	Very low	46	Very low	65 Å²	65	113.3 Å²	113.3	46%	0.455	54%	0.544	S	S	.	.	H	α-helix	trans	-82.6	-36.3	175.5	-64.4	0	0	0	0	112.4	Q184 F185 W186 R191 A192	Q184-S188 PolarHBondContact O-N 3.23Å; Q184-S188 PolarHBondContact O-OG 3.13Å; F185-S188 WeakPolarHBondContact O-CB 3.29Å; F185-S188 PolarHBondContact O-N 2.99Å; F185-S188 VanDerWaalsContact O-N 3.11Å; W186-S188 PolarHBondContact O-N 3.4Å; W186-S188 VanDerWaalsContact O-N 3.1Å; S188-R191 PolarHBondContact O-N 3.32Å; S188-A192 WeakPolarHBondContact O-CB 3.17Å; S188-A192 PolarHBondContact O-N 3.03Å
189	I	43.5	Very low	46.2	Very low	53 Å²	53	108.9 Å²	108.9	27%	0.272	54%	0.541	S	S	.	.	H	α-helix	trans	-65.3	-46.1	173	-72	178	0	0	0	110.5	F185 W186 R191 A192 I193	F185-I189 HydrophobicContact CD1-CD1 4.07Å; F185-I189 HydrophobicContact CE1-CD1 3.44Å; F185-I189 VanDerWaalsContact CE1-CD1 3.44Å; F185-I189 HydrophobicContact CE2-CD1 4.24Å; F185-I189 HydrophobicContact CZ-CD1 3.55Å; F185-I189 PolarHBondContact O-N 3.44Å; W186-I189 HydrophobicContact CE3-CB 4.31Å; W186-I189 HydrophobicContact CE3-CD1 4.08Å; W186-I189 HydrophobicContact CE3-CG2 4.25Å; W186-I189 HydrophobicContact CZ3-CD1 4.06Å; W186-I189 HydrophobicContact CZ3-CG2 4.28Å; W186-I189 PolarHBondContact O-N 3.45Å; I189-R191 VanDerWaalsContact C-N 3.27Å; I189-R191 PolarHBondContact O-N 2.91Å; I189-A192 PolarHBondContact O-N 3.01Å; I189-A192 VanDerWaalsContact O-N 3.12Å; I189-I193 HydrophobicContact CG2-CD1 3.64Å; I189-I193 HydrophobicContact CG2-CG1 4.39Å; I189-I193 WeakPolarHBondContact O-CG1 3.38Å; I189-I193 PolarHBondContact O-N 2.95Å
190	D	49	Very low	46.3	Very low	85 Å²	85	116.3 Å²	116.3	46%	0.455	57%	0.565	S	S	.	*	H	α-helix	trans	-63.7	-32.2	177	-76.5	-33	0	0	0	112	W186 N194	W186-D190 PolarHBondContact O-N 2.77Å; D190-N194 WeakPolarHBondContact O-CB 3.24Å; D190-N194 PolarHBondContact O-N 3Å; D190-N194 PolarHBondContact O-ND2 3.22Å
191	R	57.8	Low	46.1	Very low	145 Å²	145	117.1 Å²	117.1	55%	0.547	57%	0.574	S	S	.	*	H	α-helix	trans	-66.2	-47.3	169.5	-88.1	174.9	-79.8	179.2	-5	112.3	D187 S188 I189 I193 N194 E195	D187-R191 WeakPolarHBondContact O-CG 3.34Å; D187-R191 PolarHBondContact O-N 2.56Å; D187-R191 PolarHBondContact O-NE 3.49Å; D187-R191 PolarHBondContact O-NH2 3.27Å; S188-R191 PolarHBondContact O-N 3.32Å; I189-R191 VanDerWaalsContact C-N 3.27Å; I189-R191 PolarHBondContact O-N 2.91Å; R191-I193 PolarHBondContact O-N 3.34Å; R191-N194 PolarHBondContact O-N 3.31Å; R191-E195 PolarHBondContact O-N 3.05Å
192	A	47.6	Very low	46.2	Very low	74 Å²	74	119.3 Å²	119.3	61%	0.612	59%	0.587	S	S	*	*	H	α-helix	trans	-63.2	-26.6	177.9	0	0	0	0	0	113.6	S188 I189	S188-A192 WeakPolarHBondContact O-CB 3.17Å; S188-A192 PolarHBondContact O-N 3.03Å; I189-A192 PolarHBondContact O-N 3.01Å; I189-A192 VanDerWaalsContact O-N 3.12Å
193	I	48.4	Very low	45.7	Very low	120 Å²	120	117.7 Å²	117.7	62%	0.615	59%	0.59	S	S	*	*	H	α-helix	trans	-83.6	-33.9	175.4	-67.8	170.6	0	0	0	111.9	I189 R191	I189-I193 HydrophobicContact CG2-CD1 3.64Å; I189-I193 HydrophobicContact CG2-CG1 4.39Å; I189-I193 WeakPolarHBondContact O-CG1 3.38Å; I189-I193 PolarHBondContact O-N 2.95Å; R191-I193 PolarHBondContact O-N 3.34Å
194	N	54.6	Low	45.1	Very low	118 Å²	118	119.9 Å²	119.9	63%	0.631	61%	0.606	S	S	*	*	H	α-helix	trans	-79.4	-25.5	178.3	-80.1	-68.3	0	0	0	113.6	D190 R191 R196	D190-N194 WeakPolarHBondContact O-CB 3.24Å; D190-N194 PolarHBondContact O-N 3Å; D190-N194 PolarHBondContact O-ND2 3.22Å; R191-N194 PolarHBondContact O-N 3.31Å; N194-R196 WeakPolarHBondContact O-CG 3.32Å; N194-R196 PolarHBondContact O-N 3.37Å; N194-R196 VanDerWaalsContact O-N 3.11Å
195	E	51.8	Low	44.3	Very low	141 Å²	141	117.4 Å²	117.4	66%	0.659	60%	0.602	S	S	*	*	S	Bend	trans	-70.9	101.8	168.9	-74.9	-170.4	-163.8	0	0	110.5	R191 N197	R191-E195 PolarHBondContact O-N 3.05Å; E195-N197 PolarHBondContact O-N 2.97Å
196	R	46.3	Very low	44.1	Very low	237 Å²	237	118 Å²	118	89%	0.894	62%	0.618	S	S	*	*			trans	-67.5	21.2	-166.8	-55.7	-179	-178.9	167.6	-1	116.5	N194	N194-R196 WeakPolarHBondContact O-CG 3.32Å; N194-R196 PolarHBondContact O-N 3.37Å; N194-R196 VanDerWaalsContact O-N 3.11Å
197	N	39.6	Very low	43.6	Very low	96 Å²	96	118.2 Å²	118.2	51%	0.513	63%	0.627	S	S	.	*			trans	-104	45.8	-174.3	-71.9	-43.9	0	0	0	113.3	E195 S199 K200	E195-N197 PolarHBondContact O-N 2.97Å; N197-S199 PolarHBondContact O-N 3.18Å; N197-S199 VanDerWaalsContact O-N 3.08Å; N197-K200 PolarHBondContact O-N 3.42Å
198	L	41.7	Very low	42.8	Very low	135 Å²	135	117.2 Å²	117.2	71%	0.707	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-57.9	-21.5	172.5	-156.5	77.3	0	0	0	112.3	K200 L201	L198-K200 PolarHBondContact O-N 3.43Å; L198-K200 VanDerWaalsContact O-N 3.12Å; L198-L201 HydrophobicContact CD1-CD1 4.17Å; L198-L201 PolarHBondContact O-N 3.32Å
199	S	38.6	Very low	42.7	Very low	97 Å²	97	121 Å²	121	68%	0.678	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-57.5	-12.9	169.3	48.7	0	0	0	0	115.4	N197	N197-S199 PolarHBondContact O-N 3.18Å; N197-S199 VanDerWaalsContact O-N 3.08Å
200	K	41.4	Very low	43	Very low	183 Å²	183	126.3 Å²	126.3	80%	0.796	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-88.2	-11	171.2	-73.6	-171.5	173.5	-177.2	0	114.5	N197 L198	N197-K200 PolarHBondContact O-N 3.42Å; L198-K200 PolarHBondContact O-N 3.43Å; L198-K200 VanDerWaalsContact O-N 3.12Å
201	L	38.7	Very low	42.6	Very low	130 Å²	130	125 Å²	125	68%	0.681	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-30.8	-170.9	-87.8	161.8	0	0	0	114.6	L198	L198-L201 HydrophobicContact CD1-CD1 4.17Å; L198-L201 PolarHBondContact O-N 3.32Å
202	L	39.3	Very low	42.1	Very low	139 Å²	139	122.7 Å²	122.7	73%	0.728	64%	0.644	S	S	*	*			trans	-143.7	114.6	171.5	-72	97.4	0	0	0	111
203	P	30.8	Very low	42.2	Very low	98 Å²	98	125.5 Å²	125.5	64%	0.636	64%	0.642	S	S	*	*			trans	-79.7	171.2	162.3	34.5	-33.8	0	0	0	111.7	S205	P203-S205 PolarHBondContact O-N 2.98Å
204	D	32.8	Very low	41.9	Very low	163 Å²	163	125.6 Å²	125.6	87%	0.872	64%	0.638	S	S	*	*	S	Bend	trans	59.8	45.4	157	-51.2	-25.9	0	0	0	118.8
205	S	33.9	Very low	41.5	Very low	74 Å²	74	123.7 Å²	123.7	52%	0.517	63%	0.631	S	S	.	*			trans	-144.6	133.5	154	59.2	0	0	0	0	113.5	P203 L207	P203-S205 PolarHBondContact O-N 2.98Å; S205-L207 PolarHBondContact O-N 2.96Å; S205-L207 VanDerWaalsContact O-N 3.09Å
206	P	41.4	Very low	41.4	Very low	132 Å²	132	124 Å²	124	86%	0.857	63%	0.626	S	S	*	*			trans	-75.5	97.8	172.6	30.3	-32.2	0	0	0	109.3
207	L	38.6	Very low	41.7	Very low	118 Å²	118	116.1 Å²	116.1	62%	0.618	60%	0.602	S	S	*	*			trans	-57	122.4	176.5	-61.6	175.6	0	0	0	109.3	S205 L211	S205-L207 PolarHBondContact O-N 2.96Å; S205-L207 VanDerWaalsContact O-N 3.09Å; L207-L211 HydrophobicContact CB-CD2 4.42Å; L207-L211 HydrophobicContact CD2-CD2 3.97Å
208	P	38.7	Very low	41.8	Very low	58 Å²	58	115.3 Å²	115.3	38%	0.377	60%	0.6	S	S	.	*			trans	-68.1	150	-170.7	26.7	-35.4	0	0	0	111.5	W210 L211 E212	P208-W210 HydrophobicContact CG-CZ2 4.22Å; P208-W210 VanDerWaalsContact CG-NE1 3.31Å; P208-W210 PolarHBondContact O-N 3.06Å; P208-L211 HydrophobicContact CG-CB 4.14Å; P208-L211 WeakPolarHBondContact O-CA 3.24Å; P208-L211 WeakPolarHBondContact O-CB 3.26Å; P208-L211 PolarHBondContact O-N 3.4Å; P208-E212 PolarHBondContact O-N 3.45Å
209	L	43.3	Very low	42	Very low	145 Å²	145	116 Å²	116	76%	0.759	59%	0.593	S	S	*	*	H	α-helix	trans	-52.4	-30.7	-175	-73.1	165.9	0	0	0	114.5	L211 K213	L209-L211 VanDerWaalsContact C-N 3.31Å; L209-L211 PolarHBondContact O-N 2.89Å; L209-K213 WeakPolarHBondContact O-CB 3.43Å; L209-K213 PolarHBondContact O-N 3.18Å
210	W	48.8	Very low	42.8	Very low	165 Å²	165	117.4 Å²	117.4	63%	0.625	59%	0.589	S	S	*	*	H	α-helix	trans	-68.6	-29.4	175.7	71.4	-101.6	0	0	0	113.1	P208 K214	P208-W210 HydrophobicContact CG-CZ2 4.22Å; P208-W210 VanDerWaalsContact CG-NE1 3.31Å; P208-W210 PolarHBondContact O-N 3.06Å; W210-K214 HydrophobicContact CE3-CD 4.36Å; W210-K214 HydrophobicContact CZ3-CD 4.28Å; W210-K214 WeakPolarHBondContact O-CB 3.25Å; W210-K214 PolarHBondContact O-N 3.43Å
211	L	39.9	Very low	42.8	Very low	56 Å²	56	113.3 Å²	113.3	29%	0.293	58%	0.575	S	S	.	*	H	α-helix	trans	-82.5	-41	178.6	-176.9	63.6	0	0	0	110.7	L207 P208 L209 K213 K214 V215	L207-L211 HydrophobicContact CB-CD2 4.42Å; L207-L211 HydrophobicContact CD2-CD2 3.97Å; P208-L211 HydrophobicContact CG-CB 4.14Å; P208-L211 WeakPolarHBondContact O-CA 3.24Å; P208-L211 WeakPolarHBondContact O-CB 3.26Å; P208-L211 PolarHBondContact O-N 3.4Å; L209-L211 VanDerWaalsContact C-N 3.31Å; L209-L211 PolarHBondContact O-N 2.89Å; L211-K213 VanDerWaalsContact C-N 3.28Å; L211-K213 PolarHBondContact O-N 2.62Å; L211-K214 PolarHBondContact O-N 3.4Å; L211-V215 WeakPolarHBondContact O-CB 3.47Å; L211-V215 WeakPolarHBondContact O-CG2 3.46Å; L211-V215 PolarHBondContact O-N 3.41Å
212	E	48.6	Very low	42.8	Very low	98 Å²	98	111.4 Å²	111.4	46%	0.458	56%	0.564	S	S	.	*	H	α-helix	trans	-60.3	-42.7	170.8	-158.8	-141.7	137.4	0	0	110.5	P208 V215 R216	P208-E212 PolarHBondContact O-N 3.45Å; E212-V215 PolarHBondContact O-N 2.96Å; E212-R216 WeakPolarHBondContact O-CB 3.05Å; E212-R216 PolarHBondContact O-N 3Å; E212-R216 IonicContact OE1-CZ 2.84Å; E212-R216 IonicContact OE1-NE 2.66Å; E212-R216 IonicContact OE1-NH2 3.69Å; E212-R216 PolarHBondContact OE1-NH2 3.04Å
213	K	48.5	Very low	43.2	Very low	132 Å²	132	108.2 Å²	108.2	57%	0.574	55%	0.548	S	S	*	.	H	α-helix	trans	-60.5	-52	171.9	-170.3	171.2	-178.7	178.1	0	111.6	L209 L211 V215 R216 D217	L209-K213 WeakPolarHBondContact O-CB 3.43Å; L209-K213 PolarHBondContact O-N 3.18Å; L211-K213 VanDerWaalsContact C-N 3.28Å; L211-K213 PolarHBondContact O-N 2.62Å; K213-V215 VanDerWaalsContact C-N 3.29Å; K213-V215 PolarHBondContact O-N 3.17Å; K213-R216 CarbonylContact O-C 3.53Å; K213-R216 WeakPolarHBondContact O-CA 3.21Å; K213-R216 WeakPolarHBondContact O-CB 3.39Å; K213-R216 PolarHBondContact O-N 3.29Å; K213-D217 WeakPolarHBondContact CG-OD1 3.38Å; K213-D217 PolarHBondContact O-N 2.83Å
214	K	42.3	Very low	43.9	Very low	123 Å²	123	110.2 Å²	110.2	54%	0.535	55%	0.548	S	S	.	.	H	α-helix	trans	-57.6	-37	176.1	-93.9	-160.3	172.5	-170.5	0	113.8	W210 L211 R216 V218	W210-K214 HydrophobicContact CE3-CD 4.36Å; W210-K214 HydrophobicContact CZ3-CD 4.28Å; W210-K214 WeakPolarHBondContact O-CB 3.25Å; W210-K214 PolarHBondContact O-N 3.43Å; L211-K214 PolarHBondContact O-N 3.4Å; K214-R216 VanDerWaalsContact C-N 3.31Å; K214-V218 VanDerWaalsContact O-CB 3.23Å; K214-V218 WeakPolarHBondContact O-CB 3.43Å; K214-V218 WeakPolarHBondContact O-CG2 3.28Å; K214-V218 PolarHBondContact O-N 2.87Å
215	V	45.9	Very low	43.9	Very low	78 Å²	78	108.2 Å²	108.2	47%	0.473	54%	0.535	S	S	.	.	H	α-helix	trans	-70.5	-30.8	176.4	170	0	0	0	0	111.3	L211 E212 K213 R219	L211-V215 WeakPolarHBondContact O-CB 3.47Å; L211-V215 WeakPolarHBondContact O-CG2 3.46Å; L211-V215 PolarHBondContact O-N 3.41Å; E212-V215 PolarHBondContact O-N 2.96Å; K213-V215 VanDerWaalsContact C-N 3.29Å; K213-V215 PolarHBondContact O-N 3.17Å; V215-R219 VanDerWaalsContact O-CB 3.31Å; V215-R219 WeakPolarHBondContact O-CB 3.46Å; V215-R219 PolarHBondContact O-N 3.22Å
216	R	50.1	Low	44.3	Very low	146 Å²	146	111.7 Å²	111.7	55%	0.551	54%	0.541	S	S	*	.	H	α-helix	trans	-71.2	-52	171.4	-158.9	-176.5	-59.5	-177.6	1.6	111.3	E212 K213 K214 V218 R219 E220	E212-R216 WeakPolarHBondContact O-CB 3.05Å; E212-R216 PolarHBondContact O-N 3Å; E212-R216 IonicContact OE1-CZ 2.84Å; E212-R216 IonicContact OE1-NE 2.66Å; E212-R216 IonicContact OE1-NH2 3.69Å; E212-R216 PolarHBondContact OE1-NH2 3.04Å; K213-R216 CarbonylContact O-C 3.53Å; K213-R216 WeakPolarHBondContact O-CA 3.21Å; K213-R216 WeakPolarHBondContact O-CB 3.39Å; K213-R216 PolarHBondContact O-N 3.29Å; K214-R216 VanDerWaalsContact C-N 3.31Å; R216-V218 VanDerWaalsContact C-N 3.28Å; R216-V218 PolarHBondContact O-N 2.95Å; R216-R219 WeakPolarHBondContact O-CA 3.41Å; R216-R219 WeakPolarHBondContact O-CB 3.41Å; R216-R219 PolarHBondContact O-N 3.15Å; R216-E220 WeakPolarHBondContact O-CB 3.46Å; R216-E220 PolarHBondContact O-N 2.76Å
217	D	52.1	Low	44.3	Very low	72 Å²	72	114 Å²	114	39%	0.385	54%	0.541	S	S	.	.	H	α-helix	trans	-54.9	-42.8	176.1	-54	-20.5	0	0	0	111	K213 L221	K213-D217 WeakPolarHBondContact CG-OD1 3.38Å; K213-D217 PolarHBondContact O-N 2.83Å; D217-L221 VanDerWaalsContact O-CB 3.3Å; D217-L221 WeakPolarHBondContact O-CB 3.41Å; D217-L221 PolarHBondContact O-N 3.07Å
218	V	43.2	Very low	44.2	Very low	79 Å²	79	113 Å²	113	48%	0.479	54%	0.543	S	S	.	.	H	α-helix	trans	-72.2	-31.6	176.5	168.5	0	0	0	0	112.4	K214 R216 M222	K214-V218 VanDerWaalsContact O-CB 3.23Å; K214-V218 WeakPolarHBondContact O-CB 3.43Å; K214-V218 WeakPolarHBondContact O-CG2 3.28Å; K214-V218 PolarHBondContact O-N 2.87Å; R216-V218 VanDerWaalsContact C-N 3.28Å; R216-V218 PolarHBondContact O-N 2.95Å; V218-M222 HydrophobicContact CG1-CE 4.31Å; V218-M222 WeakPolarHBondContact O-CB 3.43Å; V218-M222 VanDerWaalsContact O-CG 3.26Å; V218-M222 WeakPolarHBondContact O-CG 3.46Å; V218-M222 PolarHBondContact O-N 3.43Å
219	R	45.8	Very low	44.1	Very low	151 Å²	151	117.2 Å²	117.2	57%	0.57	56%	0.563	S	S	*	*	H	α-helix	trans	-69.4	-45.7	173.3	-177.8	178.3	-61.2	169.6	3	111.2	V215 R216 L221 M222 D223	V215-R219 VanDerWaalsContact O-CB 3.31Å; V215-R219 WeakPolarHBondContact O-CB 3.46Å; V215-R219 PolarHBondContact O-N 3.22Å; R216-R219 WeakPolarHBondContact O-CA 3.41Å; R216-R219 WeakPolarHBondContact O-CB 3.41Å; R216-R219 PolarHBondContact O-N 3.15Å; R219-L221 VanDerWaalsContact C-N 3.34Å; R219-L221 PolarHBondContact O-N 2.94Å; R219-M222 CarbonylContact O-C 3.6Å; R219-M222 PolarHBondContact O-N 3.46Å; R219-M222 VanDerWaalsContact O-N 3.11Å; R219-D223 WeakPolarHBondContact CG-OD2 3.43Å; R219-D223 WeakPolarHBondContact O-CB 2.87Å; R219-D223 PolarHBondContact O-N 3.31Å
220	E	54	Low	43.7	Very low	126 Å²	126	117.1 Å²	117.1	59%	0.589	56%	0.561	S	S	*	*	H	α-helix	trans	-58.9	-47.3	176.9	-158.9	155.5	-134.6	0	0	109.9	R216 M222 D223 E224	R216-E220 WeakPolarHBondContact O-CB 3.46Å; R216-E220 PolarHBondContact O-N 2.76Å; E220-M222 PolarHBondContact O-N 2.89Å; E220-D223 PolarHBondContact O-N 3.47Å; E220-E224 WeakPolarHBondContact O-CG 3.35Å; E220-E224 PolarHBondContact O-N 3.31Å
221	L	41.4	Very low	42.9	Very low	96 Å²	96	116.6 Å²	116.6	50%	0.503	57%	0.57	S	S	.	*	H	α-helix	trans	-61.7	-37	172.4	-162.8	81.6	0	0	0	113.5	D217 R219 M225	D217-L221 VanDerWaalsContact O-CB 3.3Å; D217-L221 WeakPolarHBondContact O-CB 3.41Å; D217-L221 PolarHBondContact O-N 3.07Å; R219-L221 VanDerWaalsContact C-N 3.34Å; R219-L221 PolarHBondContact O-N 2.94Å; L221-M225 HydrophobicContact CD2-CE 4.23Å; L221-M225 HydrophobicContact CG-CE 4.18Å; L221-M225 WeakPolarHBondContact O-CB 3.28Å; L221-M225 WeakPolarHBondContact O-CE 3.45Å; L221-M225 VanDerWaalsContact O-CG 3.25Å; L221-M225 WeakPolarHBondContact O-CG 3.41Å; L221-M225 PolarHBondContact O-N 2.92Å
222	M	38.8	Very low	42.7	Very low	90 Å²	90	119.7 Å²	119.7	44%	0.443	59%	0.593	S	S	.	*	H	α-helix	trans	-72	-35.6	176.4	-82	-167.4	-53.9	0	0	112.9	V218 R219 E220 M225 K226	V218-M222 HydrophobicContact CG1-CE 4.31Å; V218-M222 WeakPolarHBondContact O-CB 3.43Å; V218-M222 VanDerWaalsContact O-CG 3.26Å; V218-M222 WeakPolarHBondContact O-CG 3.46Å; V218-M222 PolarHBondContact O-N 3.43Å; R219-M222 CarbonylContact O-C 3.6Å; R219-M222 PolarHBondContact O-N 3.46Å; R219-M222 VanDerWaalsContact O-N 3.11Å; E220-M222 PolarHBondContact O-N 2.89Å; M222-M225 HydrophobicContact CG-CE 4.33Å; M222-M225 PolarHBondContact O-N 2.84Å; M222-K226 WeakPolarHBondContact O-CG 3.42Å; M222-K226 PolarHBondContact O-N 3.28Å
223	D	49	Very low	42	Very low	72 Å²	72	119.9 Å²	119.9	39%	0.385	61%	0.605	S	S	.	*	H	α-helix	trans	-79.1	-29.4	179.6	-68.7	-30.2	0	0	0	111	R219 E220 K226	R219-D223 WeakPolarHBondContact CG-OD2 3.43Å; R219-D223 WeakPolarHBondContact O-CB 2.87Å; R219-D223 PolarHBondContact O-N 3.31Å; E220-D223 PolarHBondContact O-N 3.47Å; D223-K226 PolarHBondContact O-N 3.31Å; D223-K226 IonicContact OD1-NZ 3.8Å; D223-K226 PolarHBondContact OD1-NZ 3.37Å
224	E	43.8	Very low	41.1	Very low	140 Å²	140	120.7 Å²	120.7	65%	0.654	62%	0.615	S	S	*	*	H	α-helix	trans	-61.5	-47	161.3	-75	-171.7	154.3	0	0	111.8	E220 K226 Q227	E220-E224 WeakPolarHBondContact O-CG 3.35Å; E220-E224 PolarHBondContact O-N 3.31Å; E224-K226 PolarHBondContact O-N 3.37Å; E224-Q227 PolarHBondContact O-N 3.04Å
225	M	34.4	Very low	40.6	Very low	122 Å²	122	123.7 Å²	123.7	60%	0.601	62%	0.623	S	S	*	*	H	α-helix	trans	-68.5	-17.1	178.3	-75.4	-171.4	-61.3	0	0	114.3	L221 M222 Q227	L221-M225 HydrophobicContact CD2-CE 4.23Å; L221-M225 HydrophobicContact CG-CE 4.18Å; L221-M225 WeakPolarHBondContact O-CB 3.28Å; L221-M225 WeakPolarHBondContact O-CE 3.45Å; L221-M225 VanDerWaalsContact O-CG 3.25Å; L221-M225 WeakPolarHBondContact O-CG 3.41Å; L221-M225 PolarHBondContact O-N 2.92Å; M222-M225 HydrophobicContact CG-CE 4.33Å; M222-M225 PolarHBondContact O-N 2.84Å; M225-Q227 VanDerWaalsContact C-N 3.33Å; M225-Q227 PolarHBondContact O-N 2.89Å
226	K	40.8	Very low	39.9	Very low	147 Å²	147	122.3 Å²	122.3	64%	0.639	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-10.1	178.5	-90.2	178.4	-166.7	155.6	0	115	M222 D223 E224 S228	M222-K226 WeakPolarHBondContact O-CG 3.42Å; M222-K226 PolarHBondContact O-N 3.28Å; D223-K226 PolarHBondContact O-N 3.31Å; D223-K226 IonicContact OD1-NZ 3.8Å; D223-K226 PolarHBondContact OD1-NZ 3.37Å; E224-K226 PolarHBondContact O-N 3.37Å; K226-S228 VanDerWaalsContact C-N 3.32Å; K226-S228 PolarHBondContact O-N 3.32Å
227	Q	42.9	Very low	39.2	Very low	181 Å²	181	118.1 Å²	118.1	85%	0.846	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	19.6	-175.1	-69.4	-167.8	-12.9	0	0	114.7	E224 M225	E224-Q227 PolarHBondContact O-N 3.04Å; M225-Q227 VanDerWaalsContact C-N 3.33Å; M225-Q227 PolarHBondContact O-N 2.89Å
228	S	36.3	Very low	38.1	Very low	96 Å²	96	117.1 Å²	117.1	67%	0.671	60%	0.6	S	S	*	*	S	Bend	trans	-144.1	128.7	172.8	60.1	0	0	0	0	111.8	K226	K226-S228 VanDerWaalsContact C-N 3.32Å; K226-S228 PolarHBondContact O-N 3.32Å
229	D	35.9	Very low	38.1	Very low	146 Å²	146	116.4 Å²	116.4	78%	0.781	60%	0.597	S	S	*	*			trans	-77.7	134.7	-161	-85.3	-53.8	0	0	0	116.6
230	I	36.1	Very low	38	Very low	143 Å²	143	115.9 Å²	115.9	73%	0.733	60%	0.595	S	S	*	*	S	Bend	trans	55.1	69.1	134.8	-47.9	165.8	0	0	0	116
231	L	30.6	Very low	37.6	Very low	155 Å²	155	115.6 Å²	115.6	81%	0.812	60%	0.596	S	S	*	*				172.6	133.7	122	-92.1	160.2	0	0	0	108.7	S233	L231-S233 PolarHBondContact O-N 3.04Å; L231-S233 VanDerWaalsContact O-N 3.08Å
232	P	35.3	Very low	37.5	Very low	120 Å²	120	115.9 Å²	115.9	78%	0.779	60%	0.596	S	S	*	*			trans	-64.9	116.6	-179	26.6	-33.2	0	0	0	110	L234	P232-L234 PolarHBondContact O-N 3.45Å
233	S	34.3	Very low	38	Very low	102 Å²	102	112.1 Å²	112.1	71%	0.713	58%	0.58	S	S	*	*			trans	-63	105.3	-178.5	60	0	0	0	0	111.1	L231 R235	L231-S233 PolarHBondContact O-N 3.04Å; L231-S233 VanDerWaalsContact O-N 3.08Å; S233-R235 VanDerWaalsContact C-N 3.33Å; S233-R235 PolarHBondContact O-N 3.33Å
234	L	29.5	Very low	37.7	Very low	149 Å²	149	114.9 Å²	114.9	78%	0.78	59%	0.591	S	S	*	*			trans	-61	94.2	170.3	-104.3	157.7	0	0	0	108.8	P232 L236	P232-L234 PolarHBondContact O-N 3.45Å; L234-L236 HydrophobicContact CB-CD1 4.08Å; L234-L236 HydrophobicContact CD2-CD1 3.83Å; L234-L236 PolarHBondContact O-N 2.9Å
235	R	31.9	Very low	38	Very low	187 Å²	187	114.2 Å²	114.2	71%	0.706	59%	0.592	S	S	*	*			trans	-76.2	46	-173.7	-126	-177.6	-174.9	150	4.1	113.7	S233 S238	S233-R235 VanDerWaalsContact C-N 3.33Å; S233-R235 PolarHBondContact O-N 3.33Å; R235-S238 WeakPolarHBondContact CG-OG 3.45Å
236	L	31.1	Very low	38.7	Very low	49 Å²	49	112 Å²	112	26%	0.257	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51.5	147.7	146.7	-76	73.7	0	0	0	107.9	T77 L234 S238 L255	T77-L236 HydrophobicContact CG2-CD2 4.4Å; L234-L236 HydrophobicContact CB-CD1 4.08Å; L234-L236 HydrophobicContact CD2-CD1 3.83Å; L234-L236 PolarHBondContact O-N 2.9Å; L236-S238 PolarHBondContact O-N 3.38Å; L236-L255 HydrophobicContact CD2-CD1 3.65Å; L236-L255 HydrophobicContact CG-CB 4.03Å; L236-L255 HydrophobicContact CG-CD1 3.8Å
237	L	35.3	Very low	38.9	Very low	57 Å²	57	110.4 Å²	110.4	30%	0.298	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	69.1	32	162.1	-52.9	147	0	0	0	116.5	T74 L255	T74-L237 HydrophobicContact CG2-CD2 3.82Å; L237-L255 PolarHBondContact N-O 3.01Å
238	S	30.1	Very low	39.2	Very low	52 Å²	52	108.3 Å²	108.3	36%	0.364	58%	0.579	S	S	.	*			trans	-126.3	90.2	162	70.6	0	0	0	0	111.9	R235 L236	R235-S238 WeakPolarHBondContact CG-OG 3.45Å; L236-S238 PolarHBondContact O-N 3.38Å
239	P	42	Very low	39.4	Very low	63 Å²	63	108 Å²	108	41%	0.409	59%	0.591	S	S	.	*			trans	-74.2	145.5	178.6	31.6	-34.9	0	0	0	111.7	P257 L259	P239-P257 VanDerWaalsContact CA-O 3.25Å; P239-P257 WeakPolarHBondContact CA-O 3.38Å; P239-P257 WeakPolarHBondContact CB-O 3.44Å; P239-L259 HydrophobicContact CB-CD1 3.77Å; P239-L259 HydrophobicContact CB-CG 3.97Å; P239-L259 HydrophobicContact CG-CD1 3.83Å
240	R	45.7	Very low	39.8	Very low	140 Å²	140	106.1 Å²	106.1	53%	0.528	59%	0.59	S	S	.	*	B	Isolated β-bridge	trans	-89.2	117.2	176.4	-82.5	-173.5	164.2	-160.7	-4.9	111.6	L259	R240-L259 PolarHBondContact O-N 3.05Å
241	I	45	Very low	40.1	Very low	121 Å²	121	104.6 Å²	104.6	62%	0.621	59%	0.586	S	S	*	*	S	Bend	trans	-82.3	112	168.2	-54.4	167.1	0	0	0	106.9	L259	I241-L259 HydrophobicContact CG1-CD1 3.67Å
242	M	39.7	Very low	40.5	Very low	102 Å²	102	103 Å²	103	50%	0.502	58%	0.583	S	S	.	*			trans	62.8	87	179.5	-54.2	-179.7	-145.6	0	0	116	I260 L262	M242-I260 CarbonylContact C-O 3.58Å; M242-I260 WeakPolarHBondContact CA-O 3.3Å; M242-I260 HydrophobicContact CE-CD1 4.33Å; M242-I260 HydrophobicContact CG-CB 4.15Å; M242-I260 HydrophobicContact CG-CD1 3.98Å; M242-I260 HydrophobicContact CG-CG2 4.39Å; M242-I260 PolarHBondContact N-O 3.2Å; M242-L262 HydrophobicContact CB-CD1 4.31Å
243	A	48.7	Very low	40.9	Very low	11 Å²	11	106.8 Å²	106.8	9%	0.091	58%	0.582	C	S	.	*	B	Isolated β-bridge	trans	-88.5	125.2	164.3	0	0	0	0	0	111.5	I260 N261 L262 Y263	A243-I260 PolarHBondContact N-O 3.14Å; A243-N261 WeakPolarHBondContact CB-OD1 3.35Å; A243-L262 PolarHBondContact O-N 3.33Å; A243-Y263 PolarHBondContact O-N 3.46Å
244	M	41.7	Very low	41.1	Very low	129 Å²	129	107.2 Å²	107.2	64%	0.635	58%	0.575	S	S	*	*			trans	-101.4	-18.5	-178.1	-64.8	-178.2	179	0	0	114.7	L262	M244-L262 HydrophobicContact CE-CD1 4.29Å; M244-L262 HydrophobicContact CG-CD1 4.24Å
245	N	50.1	Low	41.7	Very low	126 Å²	126	104.3 Å²	104.3	67%	0.674	56%	0.56	S	S	*	*	S	Bend	trans	-123.7	151	-175.4	-69.3	0.3	0	0	0	110.9
246	P	49.9	Very low	42	Very low	77 Å²	77	97.7 Å²	97.7	50%	0.5	54%	0.542	S	S	.	.			trans	-64.2	156.3	166.6	28.4	-32.4	0	0	0	111.1	Y263	P246-Y263 HydrophobicContact CB-CD1 3.95Å; P246-Y263 HydrophobicContact CB-CE1 3.61Å; P246-Y263 HydrophobicContact CG-CD1 4.39Å; P246-Y263 HydrophobicContact CG-CE1 3.94Å; P246-Y263 HydrophobicContact CG-CE2 4.16Å
247	I	46.1	Very low	42.7	Very low	113 Å²	113	97.9 Å²	97.9	58%	0.579	55%	0.547	S	S	*	.			trans	-118.7	136.8	168.5	-52.2	175.2	0	0	0	106.9
248	D	48.2	Very low	43.4	Very low	137 Å²	137	97.4 Å²	97.4	73%	0.733	54%	0.544	S	S	*	.			trans	-63.5	149.8	-175.6	-63.6	-50.6	0	0	0	112.9	S250	D248-S250 PolarHBondContact O-N 2.8Å
249	G	40.5	Very low	43.9	Very low	89 Å²	89	98.4 Å²	98.4	92%	0.918	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	24.4	-157.4	0	0	0	0	0	118.1
250	S	45.2	Very low	44	Very low	107 Å²	107	99 Å²	99	75%	0.748	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-2.8	-174.6	57.1	0	0	0	0	115.4	D248	D248-S250 PolarHBondContact O-N 2.8Å
251	V	40.6	Very low	44.1	Very low	110 Å²	110	95.7 Å²	95.7	67%	0.667	54%	0.537	S	S	*	.			trans	-108	111.9	-171.9	-172	0	0	0	0	112.2	R253	V251-R253 PolarHBondContact O-N 3.46Å
252	T	40.8	Very low	44.1	Very low	121 Å²	121	94.6 Å²	94.6	74%	0.742	53%	0.532	S	S	*	.			trans	-73.1	122.5	174.6	46	0	0	0	0	111.4	I254	T252-I254 PolarHBondContact O-N 3.36Å
253	R	42.8	Very low	44.8	Very low	201 Å²	201	94.2 Å²	94.2	76%	0.758	53%	0.525	S	S	*	.			trans	-80.2	108.7	-174.8	-61.2	178.7	-174.9	179.4	-3.3	111.2	V251	V251-R253 PolarHBondContact O-N 3.46Å
254	I	38.3	Very low	44.7	Very low	111 Å²	111	97.9 Å²	97.9	57%	0.569	54%	0.544	S	S	*	.			trans	-118.8	106.1	174.3	-56.7	177.9	0	0	0	109	T252 S256	T252-I254 PolarHBondContact O-N 3.36Å; I254-S256 PolarHBondContact O-N 2.97Å
255	L	41.3	Very low	44.9	Very low	88 Å²	88	100.9 Å²	100.9	46%	0.461	55%	0.548	S	S	.	.	S	Bend	trans	62.2	34.3	168.6	-59.1	166.3	0	0	0	116.5	T77 L236 L237	T77-L255 HydrophobicContact CG2-CD1 4.19Å; L236-L255 HydrophobicContact CD2-CD1 3.65Å; L236-L255 HydrophobicContact CG-CB 4.03Å; L236-L255 HydrophobicContact CG-CD1 3.8Å; L237-L255 PolarHBondContact N-O 3.01Å
256	S	39.6	Very low	44.7	Very low	47 Å²	47	99.5 Å²	99.5	33%	0.329	54%	0.54	S	S	.	.			trans	-141.4	96.9	173.2	62.1	0	0	0	0	111.8	I254	I254-S256 PolarHBondContact O-N 2.97Å
257	P	46.4	Very low	44.2	Very low	54 Å²	54	102 Å²	102	35%	0.351	55%	0.547	S	S	.	.			trans	-87.9	147.3	176.2	31.8	-29	0	0	0	112.2	N70 P239	N70-P257 VanDerWaalsContact OD1-CG 3.25Å; N70-P257 WeakPolarHBondContact OD1-CG 3.37Å; P239-P257 VanDerWaalsContact CA-O 3.25Å; P239-P257 WeakPolarHBondContact CA-O 3.38Å; P239-P257 WeakPolarHBondContact CB-O 3.44Å
258	D	49.2	Very low	43.8	Very low	47 Å²	47	98.7 Å²	98.7	25%	0.251	54%	0.537	S	S	.	.	B	Isolated β-bridge	trans	-74.3	130.4	165.5	-48.4	-60.5	0	0	0	109.1	N261	D258-N261 WeakPolarHBondContact CB-OD1 3.19Å; D258-N261 PolarHBondContact OD2-ND2 3.07Å; D258-N261 PolarHBondContact OD2-OD1 3.38Å
259	L	41.3	Very low	43.4	Very low	72 Å²	72	101.9 Å²	101.9	38%	0.377	54%	0.539	S	S	.	.	S	Bend	trans	-76.8	-35.4	178.1	-81	159.9	0	0	0	111.8	P239 R240 I241	P239-L259 HydrophobicContact CB-CD1 3.77Å; P239-L259 HydrophobicContact CB-CG 3.97Å; P239-L259 HydrophobicContact CG-CD1 3.83Å; R240-L259 PolarHBondContact O-N 3.05Å; I241-L259 HydrophobicContact CG1-CD1 3.67Å
260	I	42.8	Very low	43.4	Very low	75 Å²	75	99.7 Å²	99.7	39%	0.385	51%	0.509	S	S	.	.			trans	-142.8	117.1	175	-53.1	176.4	0	0	0	107.6	M242 A243 L262	M242-I260 CarbonylContact C-O 3.58Å; M242-I260 WeakPolarHBondContact CA-O 3.3Å; M242-I260 HydrophobicContact CE-CD1 4.33Å; M242-I260 HydrophobicContact CG-CB 4.15Å; M242-I260 HydrophobicContact CG-CD1 3.98Å; M242-I260 HydrophobicContact CG-CG2 4.39Å; M242-I260 PolarHBondContact N-O 3.2Å; A243-I260 PolarHBondContact N-O 3.14Å; I260-L262 HydrophobicContact CG2-CD2 4.08Å; I260-L262 HydrophobicContact CG2-CG 4.13Å
261	N	48.4	Very low	43.1	Very low	71 Å²	71	97.4 Å²	97.4	38%	0.38	50%	0.497	S	S	.	.	B	Isolated β-bridge	trans	-100.2	114.1	166.2	-80.4	-20.9	0	0	0	108.4	A243 D258	A243-N261 WeakPolarHBondContact CB-OD1 3.35Å; D258-N261 WeakPolarHBondContact CB-OD1 3.19Å; D258-N261 PolarHBondContact OD2-ND2 3.07Å; D258-N261 PolarHBondContact OD2-OD1 3.38Å
262	L	43.8	Very low	43.1	Very low	99 Å²	99	96.7 Å²	96.7	52%	0.518	49%	0.492	S	S	.	.	S	Bend	trans	-87.9	-24.6	172.4	-65.9	171.6	0	0	0	110.8	M242 A243 M244 I260 D264	M242-L262 HydrophobicContact CB-CD1 4.31Å; A243-L262 PolarHBondContact O-N 3.33Å; M244-L262 HydrophobicContact CE-CD1 4.29Å; M244-L262 HydrophobicContact CG-CD1 4.24Å; I260-L262 HydrophobicContact CG2-CD2 4.08Å; I260-L262 HydrophobicContact CG2-CG 4.13Å; L262-D264 PolarHBondContact O-N 3.32Å
263	Y	54.6	Low	42.9	Very low	94 Å²	94	94.2 Å²	94.2	37%	0.369	47%	0.474	S	S	.	.			trans	-84.3	84.5	163.3	-168.1	-90.9	0	0	0	110.1	A243 P246 R265 A268	A243-Y263 PolarHBondContact O-N 3.46Å; P246-Y263 HydrophobicContact CB-CD1 3.95Å; P246-Y263 HydrophobicContact CB-CE1 3.61Å; P246-Y263 HydrophobicContact CG-CD1 4.39Å; P246-Y263 HydrophobicContact CG-CE1 3.94Å; P246-Y263 HydrophobicContact CG-CE2 4.16Å; Y263-R265 HydrophobicContact CE1-CG 4.44Å; Y263-A268 HydrophobicContact CE2-CB 4.25Å
264	D	46.7	Very low	42.8	Very low	88 Å²	88	91.1 Å²	91.1	47%	0.471	47%	0.469	S	S	.	.			trans	-93.8	137.5	166.6	-146.7	-26.2	0	0	0	110.6	L262 D266 M267	L262-D264 PolarHBondContact O-N 3.32Å; D264-D266 PolarHBondContact O-N 2.04Å; D264-D266 VanDerWaalsContact O-N 3.15Å; D264-M267 PolarHBondContact O-N 3.4Å
265	R	46	Very low	42.9	Very low	191 Å²	191	94.3 Å²	94.3	72%	0.721	47%	0.474	S	S	*	.	H	α-helix	trans	-65.5	-22.8	-169.5	-83.4	-174.3	170.3	-172	-3.3	113	Y263 A268	Y263-R265 HydrophobicContact CE1-CG 4.44Å; R265-A268 PolarHBondContact O-N 3.05Å
266	D	46.3	Very low	42.7	Very low	98 Å²	98	93.7 Å²	93.7	52%	0.524	47%	0.47	S	S	.	.	H	α-helix	trans	-79.1	-24.6	-178.7	-65.9	-30.5	0	0	0	113.2	D264	D264-D266 PolarHBondContact O-N 2.04Å; D264-D266 VanDerWaalsContact O-N 3.15Å
267	M	38.7	Very low	43	Very low	128 Å²	128	96.5 Å²	96.5	63%	0.631	48%	0.48	S	S	*	.	H	α-helix	trans	-73	-35.9	165.9	-87.6	-166.9	169.7	0	0	111.8	D264 R269 S270 L273	D264-M267 PolarHBondContact O-N 3.4Å; M267-R269 PolarHBondContact O-N 3.41Å; M267-R269 VanDerWaalsContact O-N 3.16Å; M267-S270 WeakPolarHBondContact O-CB 3.48Å; M267-S270 PolarHBondContact O-N 3.17Å; M267-S270 PolarHBondContact O-OG 3.49Å; M267-L273 HydrophobicContact CB-CD1 4.46Å; M267-L273 HydrophobicContact SD-CD1 4.15Å
268	A	38.7	Very low	43	Very low	45 Å²	45	99.9 Å²	99.9	37%	0.372	50%	0.496	S	S	.	.	H	α-helix	trans	-66.4	-14.8	-177.7	0	0	0	0	0	114.4	Y263 R265 S270	Y263-A268 HydrophobicContact CE2-CB 4.25Å; R265-A268 PolarHBondContact O-N 3.05Å; A268-S270 VanDerWaalsContact C-N 3.33Å
269	R	40.1	Very low	42.6	Very low	204 Å²	204	103.4 Å²	103.4	77%	0.77	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-11.2	170.3	-82.8	179.7	163.6	165.8	-5.9	114.1	M267 A271	M267-R269 PolarHBondContact O-N 3.41Å; M267-R269 VanDerWaalsContact O-N 3.16Å; R269-A271 PolarHBondContact O-N 3Å
270	S	39.2	Very low	42.4	Very low	43 Å²	43	102.7 Å²	102.7	30%	0.301	51%	0.509	S	S	.	.			trans	-81.4	95.9	171.8	68.9	0	0	0	0	110.3	M267 A268 T272 L273	M267-S270 WeakPolarHBondContact O-CB 3.48Å; M267-S270 PolarHBondContact O-N 3.17Å; M267-S270 PolarHBondContact O-OG 3.49Å; A268-S270 VanDerWaalsContact C-N 3.33Å; S270-T272 PolarHBondContact O-N 3.29Å; S270-L273 PolarHBondContact O-N 3.03Å
271	A	40	Very low	42.4	Very low	59 Å²	59	103.8 Å²	103.8	49%	0.488	52%	0.524	S	S	.	.	H	α-helix	trans	-59.7	-10.7	176	0	0	0	0	0	113.6	R269 R275	R269-A271 PolarHBondContact O-N 3Å; A271-R275 WeakPolarHBondContact O-CD 3.44Å; A271-R275 VanDerWaalsContact O-CG 3.31Å; A271-R275 WeakPolarHBondContact O-CG 3.28Å
272	T	41.1	Very low	42.2	Very low	94 Å²	94	105.5 Å²	105.5	58%	0.577	53%	0.532	S	S	*	.	H	α-helix	trans	-69.3	-33.1	168.7	45.3	0	0	0	0	113.2	S270 L276	S270-T272 PolarHBondContact O-N 3.29Å; T272-L276 VanDerWaalsContact O-CB 3.23Å; T272-L276 WeakPolarHBondContact O-CB 3.47Å; T272-L276 WeakPolarHBondContact O-CD1 3.31Å; T272-L276 WeakPolarHBondContact O-CG 3.04Å; T272-L276 PolarHBondContact O-N 3.15Å
273	L	35	Very low	41.9	Very low	69 Å²	69	106.7 Å²	106.7	36%	0.361	53%	0.529	S	S	.	.	H	α-helix	trans	-77.5	-38.7	-171.5	-135	167.7	0	0	0	112.4	M267 S270 L276 I277	M267-L273 HydrophobicContact CB-CD1 4.46Å; M267-L273 HydrophobicContact SD-CD1 4.15Å; S270-L273 PolarHBondContact O-N 3.03Å; L273-L276 PolarHBondContact O-N 2.87Å; L273-I277 HydrophobicContact CD2-CD1 4Å; L273-I277 HydrophobicContact CD2-CG1 4.33Å; L273-I277 VanDerWaalsContact O-CG1 3.28Å; L273-I277 WeakPolarHBondContact O-CG1 3.42Å; L273-I277 PolarHBondContact O-N 3.2Å
274	Q	40.7	Very low	41.2	Very low	137 Å²	137	105.9 Å²	105.9	64%	0.64	54%	0.536	S	S	*	.	H	α-helix	trans	-67.1	-43.4	170.8	-76.2	178.3	-46	0	0	111.7	L276 I277 D278	Q274-L276 VanDerWaalsContact C-N 3.3Å; Q274-L276 PolarHBondContact O-N 3.08Å; Q274-I277 WeakPolarHBondContact O-CA 3.34Å; Q274-I277 WeakPolarHBondContact O-CB 3.24Å; Q274-I277 PolarHBondContact O-N 3.21Å; Q274-D278 PolarHBondContact O-N 3.4Å
275	R	41.5	Very low	41	Very low	178 Å²	178	109.3 Å²	109.3	67%	0.672	55%	0.546	S	S	*	.	H	α-helix	trans	-60.3	-38.8	173.4	-72.1	177.2	178.7	171.1	-0.4	112.5	A271 I277 D278 E279	A271-R275 WeakPolarHBondContact O-CD 3.44Å; A271-R275 VanDerWaalsContact O-CG 3.31Å; A271-R275 WeakPolarHBondContact O-CG 3.28Å; R275-I277 VanDerWaalsContact C-N 3.35Å; R275-D278 PolarHBondContact O-N 3.28Å; R275-E279 WeakPolarHBondContact O-CG 3.28Å; R275-E279 PolarHBondContact O-N 2.79Å
276	L	37.5	Very low	40.5	Very low	75 Å²	75	104.2 Å²	104.2	39%	0.393	53%	0.533	S	S	.	.	H	α-helix	trans	-64.8	-36.6	172.2	-80.1	166.8	0	0	0	112	T272 L273 Q274 D278 E279 V280	T272-L276 VanDerWaalsContact O-CB 3.23Å; T272-L276 WeakPolarHBondContact O-CB 3.47Å; T272-L276 WeakPolarHBondContact O-CD1 3.31Å; T272-L276 WeakPolarHBondContact O-CG 3.04Å; T272-L276 PolarHBondContact O-N 3.15Å; L273-L276 PolarHBondContact O-N 2.87Å; Q274-L276 VanDerWaalsContact C-N 3.3Å; Q274-L276 PolarHBondContact O-N 3.08Å; L276-D278 VanDerWaalsContact C-N 3.3Å; L276-D278 PolarHBondContact O-N 3.4Å; L276-E279 CarbonylContact O-C 3.56Å; L276-E279 PolarHBondContact O-N 2.87Å; L276-V280 WeakPolarHBondContact O-CA 3.48Å; L276-V280 WeakPolarHBondContact O-CB 3.42Å; L276-V280 WeakPolarHBondContact O-CG2 3.09Å; L276-V280 PolarHBondContact O-N 3.04Å
277	I	45.4	Very low	40.3	Very low	105 Å²	105	103.1 Å²	103.1	54%	0.538	53%	0.526	S	S	.	.	H	α-helix	trans	-64.5	-35.2	174.7	-73	162.5	0	0	0	111.4	L273 Q274 R275 V280	L273-I277 HydrophobicContact CD2-CD1 4Å; L273-I277 HydrophobicContact CD2-CG1 4.33Å; L273-I277 VanDerWaalsContact O-CG1 3.28Å; L273-I277 WeakPolarHBondContact O-CG1 3.42Å; L273-I277 PolarHBondContact O-N 3.2Å; Q274-I277 WeakPolarHBondContact O-CA 3.34Å; Q274-I277 WeakPolarHBondContact O-CB 3.24Å; Q274-I277 PolarHBondContact O-N 3.21Å; R275-I277 VanDerWaalsContact C-N 3.35Å; I277-V280 WeakPolarHBondContact O-CB 3.4Å; I277-V280 PolarHBondContact O-N 2.77Å
278	D	46.1	Very low	40.6	Very low	126 Å²	126	104.6 Å²	104.6	67%	0.674	53%	0.525	S	S	*	.	H	α-helix	trans	-73	-38.7	173.6	-60.6	-37.1	0	0	0	111.9	Q274 R275 L276 V280 S281	Q274-D278 PolarHBondContact O-N 3.4Å; R275-D278 PolarHBondContact O-N 3.28Å; L276-D278 VanDerWaalsContact C-N 3.3Å; L276-D278 PolarHBondContact O-N 3.4Å; D278-V280 VanDerWaalsContact C-N 3.29Å; D278-V280 PolarHBondContact O-N 3.21Å; D278-S281 PolarHBondContact O-OG 2.96Å
279	E	40.9	Very low	41.1	Very low	121 Å²	121	107.7 Å²	107.7	57%	0.565	54%	0.535	S	S	*	.	H	α-helix	trans	-73.6	-13.9	172.6	-68.8	-179.2	138.8	0	0	113.9	R275 L276 S281 I282	R275-E279 WeakPolarHBondContact O-CG 3.28Å; R275-E279 PolarHBondContact O-N 2.79Å; L276-E279 CarbonylContact O-C 3.56Å; L276-E279 PolarHBondContact O-N 2.87Å; E279-S281 PolarHBondContact O-N 2.99Å; E279-S281 VanDerWaalsContact O-N 3.13Å; E279-I282 PolarHBondContact O-N 3.13Å
280	V	37.6	Very low	40.9	Very low	56 Å²	56	103.5 Å²	103.5	34%	0.339	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-66.3	-16.2	-175.5	142.5	0	0	0	0	112.8	L276 I277 D278 I282 W283	L276-V280 WeakPolarHBondContact O-CA 3.48Å; L276-V280 WeakPolarHBondContact O-CB 3.42Å; L276-V280 WeakPolarHBondContact O-CG2 3.09Å; L276-V280 PolarHBondContact O-N 3.04Å; I277-V280 WeakPolarHBondContact O-CB 3.4Å; I277-V280 PolarHBondContact O-N 2.77Å; D278-V280 VanDerWaalsContact C-N 3.29Å; D278-V280 PolarHBondContact O-N 3.21Å; V280-I282 PolarHBondContact O-N 2.81Å; V280-W283 HydrophobicContact CB-CG 4.36Å; V280-W283 HydrophobicContact CG2-CD2 3.7Å; V280-W283 VanDerWaalsContact CG2-CE2 3.43Å; V280-W283 HydrophobicContact CG2-CE3 4.33Å; V280-W283 HydrophobicContact CG2-CG 3.93Å; V280-W283 HydrophobicContact CG2-CZ2 3.9Å; V280-W283 VanDerWaalsContact O-CB 3.26Å; V280-W283 WeakPolarHBondContact O-CB 3.42Å; V280-W283 PolarHBondContact O-N 3.37Å
281	S	41.3	Very low	41.3	Very low	99 Å²	99	106 Å²	106	69%	0.692	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-50.3	-25.2	169.7	56.7	0	0	0	0	114.2	D278 E279	D278-S281 PolarHBondContact O-OG 2.96Å; E279-S281 PolarHBondContact O-N 2.99Å; E279-S281 VanDerWaalsContact O-N 3.13Å
282	I	45.9	Very low	41.7	Very low	107 Å²	107	107.6 Å²	107.6	55%	0.549	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-86.2	-14.1	-179.9	-59.4	173.6	0	0	0	112.9	E279 V280 P284 K285	E279-I282 PolarHBondContact O-N 3.13Å; V280-I282 PolarHBondContact O-N 2.81Å; I282-P284 VanDerWaalsContact C-CD 3.42Å; I282-K285 PolarHBondContact O-N 3.24Å
283	W	36	Very low	41.9	Very low	123 Å²	123	110.8 Å²	110.8	47%	0.466	54%	0.541	S	S	.	.	H	α-helix	trans	-59.3	-32.2	-168.2	-82.7	37.9	0	0	0	116.9	V280 K285 L286 I287	V280-W283 HydrophobicContact CB-CG 4.36Å; V280-W283 HydrophobicContact CG2-CD2 3.7Å; V280-W283 VanDerWaalsContact CG2-CE2 3.43Å; V280-W283 HydrophobicContact CG2-CE3 4.33Å; V280-W283 HydrophobicContact CG2-CG 3.93Å; V280-W283 HydrophobicContact CG2-CZ2 3.9Å; V280-W283 VanDerWaalsContact O-CB 3.26Å; V280-W283 WeakPolarHBondContact O-CB 3.42Å; V280-W283 PolarHBondContact O-N 3.37Å; W283-K285 PolarHBondContact O-N 2.86Å; W283-L286 PolarHBondContact O-N 3.23Å; W283-I287 HydrophobicContact CB-CD1 3.85Å; W283-I287 HydrophobicContact CB-CG1 4.07Å; W283-I287 HydrophobicContact CE3-CD1 4.02Å; W283-I287 HydrophobicContact CE3-CG1 4.04Å; W283-I287 WeakPolarHBondContact O-CB 3.27Å; W283-I287 VanDerWaalsContact O-CG1 3.27Å; W283-I287 WeakPolarHBondContact O-CG1 3.34Å; W283-I287 PolarHBondContact O-N 2.78Å
284	P	40.5	Very low	42.5	Very low	78 Å²	78	112.2 Å²	112.2	51%	0.506	55%	0.552	S	S	.	*	H	α-helix	trans	-60.5	-14.1	-179.1	-27.5	36.4	0	0	0	116.2	I282 R288	I282-P284 VanDerWaalsContact C-CD 3.42Å; P284-R288 PolarHBondContact O-NE 3.43Å; P284-R288 PolarHBondContact O-NH2 2.66Å
285	K	42	Very low	42.6	Very low	160 Å²	160	113.6 Å²	113.6	70%	0.696	56%	0.556	S	S	*	*	H	α-helix	trans	-95.2	-44.5	169.4	-67.6	177.9	-179.6	174.7	0	111.6	I282 W283 R288 N289	I282-K285 PolarHBondContact O-N 3.24Å; W283-K285 PolarHBondContact O-N 2.86Å; K285-R288 PolarHBondContact O-N 3.33Å; K285-N289 PolarHBondContact O-N 2.91Å
286	L	37.2	Very low	43	Very low	83 Å²	83	115.7 Å²	115.7	44%	0.435	56%	0.564	S	S	.	*	H	α-helix	trans	-67.2	-42.6	-178	-120.9	162.2	0	0	0	112.4	W283 R288 N289 M290	W283-L286 PolarHBondContact O-N 3.23Å; L286-R288 VanDerWaalsContact C-N 3.32Å; L286-R288 PolarHBondContact O-N 2.62Å; L286-N289 PolarHBondContact O-N 2.96Å; L286-M290 HydrophobicContact CD2-CE 3.74Å; L286-M290 HydrophobicContact CD2-CG 4.38Å; L286-M290 WeakPolarHBondContact O-CG 3.35Å; L286-M290 PolarHBondContact O-N 2.91Å
287	I	40.7	Very low	43.3	Very low	75 Å²	75	122.5 Å²	122.5	39%	0.385	58%	0.584	S	S	.	*	H	α-helix	trans	-54.7	-46.5	171	-66.8	167.3	0	0	0	110.6	W283 N289 M290 I291	W283-I287 HydrophobicContact CB-CD1 3.85Å; W283-I287 HydrophobicContact CB-CG1 4.07Å; W283-I287 HydrophobicContact CE3-CD1 4.02Å; W283-I287 HydrophobicContact CE3-CG1 4.04Å; W283-I287 WeakPolarHBondContact O-CB 3.27Å; W283-I287 VanDerWaalsContact O-CG1 3.27Å; W283-I287 WeakPolarHBondContact O-CG1 3.34Å; W283-I287 PolarHBondContact O-N 2.78Å; I287-N289 VanDerWaalsContact C-N 3.33Å; I287-N289 PolarHBondContact O-N 2.84Å; I287-M290 PolarHBondContact O-N 2.71Å; I287-I291 HydrophobicContact CG2-CD1 3.5Å; I287-I291 HydrophobicContact CG2-CG1 4.01Å; I287-I291 WeakPolarHBondContact O-CB 3.18Å; I287-I291 WeakPolarHBondContact O-CG1 3.32Å; I287-I291 PolarHBondContact O-N 2.75Å
288	R	46.2	Very low	42.6	Very low	159 Å²	159	121.4 Å²	121.4	60%	0.6	59%	0.586	S	S	*	*	H	α-helix	trans	-60.9	-41.9	179.9	-102.7	179.7	-73.6	-163.9	-5.7	111.9	P284 K285 L286 N292	P284-R288 PolarHBondContact O-NE 3.43Å; P284-R288 PolarHBondContact O-NH2 2.66Å; K285-R288 PolarHBondContact O-N 3.33Å; L286-R288 VanDerWaalsContact C-N 3.32Å; L286-R288 PolarHBondContact O-N 2.62Å; R288-N292 WeakPolarHBondContact O-CB 3.23Å; R288-N292 VanDerWaalsContact O-CG 3.28Å; R288-N292 PolarHBondContact O-N 2.7Å; R288-N292 PolarHBondContact O-ND2 3.25Å
289	N	47.7	Very low	42.1	Very low	110 Å²	110	120.6 Å²	120.6	59%	0.588	59%	0.591	S	S	*	*	H	α-helix	trans	-69.8	-36.3	176.4	-72.6	-11.4	0	0	0	112.6	K285 L286 I287 K293	K285-N289 PolarHBondContact O-N 2.91Å; L286-N289 PolarHBondContact O-N 2.96Å; I287-N289 VanDerWaalsContact C-N 3.33Å; I287-N289 PolarHBondContact O-N 2.84Å; N289-K293 PolarHBondContact O-N 3.15Å
290	M	35.6	Very low	42	Very low	116 Å²	116	120.7 Å²	120.7	57%	0.571	60%	0.6	S	S	*	*	H	α-helix	trans	-68.8	-47.1	173.5	-68.8	-150.4	-160.2	0	0	112.2	L286 I287 N292 K293 V294	L286-M290 HydrophobicContact CD2-CE 3.74Å; L286-M290 HydrophobicContact CD2-CG 4.38Å; L286-M290 WeakPolarHBondContact O-CG 3.35Å; L286-M290 PolarHBondContact O-N 2.91Å; I287-M290 PolarHBondContact O-N 2.71Å; M290-N292 VanDerWaalsContact C-N 3.28Å; M290-N292 PolarHBondContact O-N 3.35Å; M290-K293 CarbonylContact O-C 3.5Å; M290-K293 PolarHBondContact O-N 3.35Å; M290-V294 WeakPolarHBondContact O-CB 3.44Å; M290-V294 WeakPolarHBondContact O-CG2 3.36Å; M290-V294 PolarHBondContact O-N 3.32Å
291	I	48.1	Very low	42.4	Very low	97 Å²	97	120.8 Å²	120.8	50%	0.497	60%	0.6	S	S	.	*	H	α-helix	trans	-57.9	-42.6	175.7	-71.3	177.9	0	0	0	110.2	I287 K293 V294 K295	I287-I291 HydrophobicContact CG2-CD1 3.5Å; I287-I291 HydrophobicContact CG2-CG1 4.01Å; I287-I291 WeakPolarHBondContact O-CB 3.18Å; I287-I291 WeakPolarHBondContact O-CG1 3.32Å; I287-I291 PolarHBondContact O-N 2.75Å; I291-K293 PolarHBondContact O-N 3.02Å; I291-V294 PolarHBondContact O-N 3.21Å; I291-K295 WeakPolarHBondContact O-CB 3.44Å; I291-K295 PolarHBondContact O-N 2.96Å
292	N	49.4	Very low	42.7	Very low	92 Å²	92	118.3 Å²	118.3	49%	0.492	59%	0.59	S	S	.	*	H	α-helix	trans	-66.6	-31.9	175.7	-74.4	-18.4	0	0	0	113.3	R288 M290 R296	R288-N292 WeakPolarHBondContact O-CB 3.23Å; R288-N292 VanDerWaalsContact O-CG 3.28Å; R288-N292 PolarHBondContact O-N 2.7Å; R288-N292 PolarHBondContact O-ND2 3.25Å; M290-N292 VanDerWaalsContact C-N 3.28Å; M290-N292 PolarHBondContact O-N 3.35Å; N292-R296 WeakPolarHBondContact O-CB 3.47Å; N292-R296 WeakPolarHBondContact O-CD 3.25Å; N292-R296 VanDerWaalsContact O-CG 3.25Å; N292-R296 WeakPolarHBondContact O-CG 3.29Å; N292-R296 PolarHBondContact O-N 3.16Å
293	K	45.7	Very low	42.6	Very low	160 Å²	160	117.9 Å²	117.9	70%	0.696	59%	0.594	S	S	*	*	H	α-helix	trans	-73.8	-40.3	171.7	-84.1	-175.2	172.7	-179.3	0	113.1	N289 M290 I291 R296 R297	N289-K293 PolarHBondContact O-N 3.15Å; M290-K293 CarbonylContact O-C 3.5Å; M290-K293 PolarHBondContact O-N 3.35Å; I291-K293 PolarHBondContact O-N 3.02Å; K293-R296 PolarHBondContact O-N 2.77Å; K293-R297 PolarHBondContact O-N 3.18Å
294	V	47.6	Very low	42.8	Very low	99 Å²	99	117.9 Å²	117.9	60%	0.6	60%	0.603	S	S	*	*	H	α-helix	trans	-75.1	-41	-178.1	172.9	0	0	0	0	111.2	M290 I291 R296 R297 S298	M290-V294 WeakPolarHBondContact O-CB 3.44Å; M290-V294 WeakPolarHBondContact O-CG2 3.36Å; M290-V294 PolarHBondContact O-N 3.32Å; I291-V294 PolarHBondContact O-N 3.21Å; V294-R296 PolarHBondContact O-N 2.97Å; V294-R297 CarbonylContact O-C 3.55Å; V294-R297 WeakPolarHBondContact O-CA 3.37Å; V294-R297 PolarHBondContact O-N 3.11Å; V294-S298 PolarHBondContact O-N 2.82Å
295	K	42.2	Very low	43.5	Very low	166 Å²	166	119 Å²	119	72%	0.722	61%	0.605	S	S	*	*	H	α-helix	trans	-62	-25.1	172.6	-167.3	172.8	-177.6	179.5	0	112.3	I291 S298	I291-K295 WeakPolarHBondContact O-CB 3.44Å; I291-K295 PolarHBondContact O-N 2.96Å; K295-S298 WeakPolarHBondContact O-CB 3.47Å
296	R	48.9	Very low	44.1	Very low	223 Å²	223	116.5 Å²	116.5	84%	0.842	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-5.4	170.4	-73.4	178.6	178.6	-171.4	0.2	114.7	N292 K293 V294	N292-R296 WeakPolarHBondContact O-CB 3.47Å; N292-R296 WeakPolarHBondContact O-CD 3.25Å; N292-R296 VanDerWaalsContact O-CG 3.25Å; N292-R296 WeakPolarHBondContact O-CG 3.29Å; N292-R296 PolarHBondContact O-N 3.16Å; K293-R296 PolarHBondContact O-N 2.77Å; V294-R296 PolarHBondContact O-N 2.97Å
297	R	43.6	Very low	44.5	Very low	217 Å²	217	116.8 Å²	116.8	82%	0.819	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	28.5	172.2	-77.8	-175.3	165.2	179.3	-5.5	111.7	K293 V294 S299	K293-R297 PolarHBondContact O-N 3.18Å; V294-R297 CarbonylContact O-C 3.55Å; V294-R297 WeakPolarHBondContact O-CA 3.37Å; V294-R297 PolarHBondContact O-N 3.11Å; R297-S299 PolarHBondContact O-N 2.98Å; R297-S299 VanDerWaalsContact O-N 3.14Å
298	S	31.9	Very low	45.7	Very low	83 Å²	83	120.4 Å²	120.4	58%	0.58	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	92.4	-169.4	177.5	0	0	0	0	113.4	V294 K295	V294-S298 PolarHBondContact O-N 2.82Å; K295-S298 WeakPolarHBondContact O-CB 3.47Å
299	S	35.4	Very low	46.9	Very low	109 Å²	109	117.8 Å²	117.8	76%	0.762	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.8	-28.7	159.6	59.9	0	0	0	0	114.1	R297 V301	R297-S299 PolarHBondContact O-N 2.98Å; R297-S299 VanDerWaalsContact O-N 3.14Å; S299-V301 PolarHBondContact O-N 3.39Å
300	T	39.1	Very low	47.7	Very low	123 Å²	123	114.7 Å²	114.7	76%	0.755	58%	0.584	S	S	*	*			trans	-94.9	32.6	-170.5	48.8	0	0	0	0	115.3	G302	T300-G302 VanDerWaalsContact C-N 3.26Å; T300-G302 PolarHBondContact O-N 2.92Å
301	V	45.4	Very low	49.3	Very low	57 Å²	57	115.9 Å²	115.9	35%	0.345	59%	0.588	S	S	.	*			trans	-86.6	22.4	-171	-157.7	0	0	0	0	113.8	S299 L304 N305	S299-V301 PolarHBondContact O-N 3.39Å; V301-L304 HydrophobicContact CG1-CB 4.26Å; V301-N305 PolarHBondContact O-N 2.69Å; V301-N305 PolarHBondContact O-ND2 2.9Å
302	G	46.5	Very low	50.6	Low	47 Å²	47	116.9 Å²	116.9	49%	0.485	59%	0.589	S	S	.	*	H	α-helix	trans	-57.1	-60.9	-171.7	0	0	0	0	0	115.2	T300 L304 N305 Y306	T300-G302 VanDerWaalsContact C-N 3.26Å; T300-G302 PolarHBondContact O-N 2.92Å; G302-L304 VanDerWaalsContact C-N 3.35Å; G302-L304 PolarHBondContact O-N 3.41Å; G302-N305 PolarHBondContact O-N 3.46Å; G302-Y306 PolarHBondContact O-N 3.12Å
303	P	43.8	Very low	52	Low	98 Å²	98	113.9 Å²	113.9	64%	0.636	57%	0.572	S	S	*	*	H	α-helix	trans	-63.6	-36.8	-173.6	-24.4	34.6	0	0	0	113.8	N305 Y306 L307	P303-N305 VanDerWaalsContact C-N 3.31Å; P303-N305 PolarHBondContact O-N 3.37Å; P303-Y306 WeakPolarHBondContact O-CB 3.43Å; P303-Y306 PolarHBondContact O-N 2.87Å; P303-Y306 VanDerWaalsContact O-N 3.17Å; P303-L307 PolarHBondContact O-N 3.09Å
304	L	40.1	Very low	53.3	Low	123 Å²	123	110 Å²	110	64%	0.644	56%	0.558	S	S	*	*	H	α-helix	trans	-67.1	-34.3	-178.9	-148.9	80.8	0	0	0	111.8	V301 G302 K308	V301-L304 HydrophobicContact CG1-CB 4.26Å; G302-L304 VanDerWaalsContact C-N 3.35Å; G302-L304 PolarHBondContact O-N 3.41Å; L304-K308 VanDerWaalsContact O-CB 3.32Å; L304-K308 WeakPolarHBondContact O-CB 3.31Å; L304-K308 PolarHBondContact O-N 3.17Å; L304-K308 VanDerWaalsContact O-N 3.1Å
305	N	57.1	Low	54.6	Low	102 Å²	102	107.8 Å²	107.8	55%	0.545	55%	0.547	S	S	.	.	H	α-helix	trans	-70.4	-33.3	174	-74.2	-18.8	0	0	0	112.1	V301 G302 P303 K309	V301-N305 PolarHBondContact O-N 2.69Å; V301-N305 PolarHBondContact O-ND2 2.9Å; G302-N305 PolarHBondContact O-N 3.46Å; P303-N305 VanDerWaalsContact C-N 3.31Å; P303-N305 PolarHBondContact O-N 3.37Å; N305-K309 WeakPolarHBondContact O-CB 3.47Å; N305-K309 PolarHBondContact O-N 3.24Å
306	Y	53	Low	56.6	Low	107 Å²	107	103.1 Å²	103.1	42%	0.42	53%	0.528	S	S	.	.	H	α-helix	trans	-65.5	-54.3	174.2	-174.4	-97.4	0	0	0	111.3	G302 P303 K308 K309 T310	G302-Y306 PolarHBondContact O-N 3.12Å; P303-Y306 WeakPolarHBondContact O-CB 3.43Å; P303-Y306 PolarHBondContact O-N 2.87Å; P303-Y306 VanDerWaalsContact O-N 3.17Å; Y306-K308 VanDerWaalsContact C-N 3.26Å; Y306-K308 PolarHBondContact O-N 3.41Å; Y306-K309 WeakPolarHBondContact O-CA 3.19Å; Y306-K309 WeakPolarHBondContact O-CB 3.43Å; Y306-K309 PolarHBondContact O-N 2.88Å; Y306-T310 PolarHBondContact O-N 3.15Å; Y306-T310 PolarHBondContact O-OG1 3.42Å
307	L	46.7	Very low	58.2	Low	89 Å²	89	93.3 Å²	93.3	47%	0.466	49%	0.492	S	S	.	.	H	α-helix	trans	-56.3	-40.4	177.4	-71.4	173.2	0	0	0	112.2	E61 P303 T310 Q311	E61-L307 WeakPolarHBondContact OE1-CD2 3.42Å; P303-L307 PolarHBondContact O-N 3.09Å; L307-T310 PolarHBondContact O-N 2.98Å; L307-Q311 WeakPolarHBondContact O-CB 3.34Å; L307-Q311 PolarHBondContact O-N 3.44Å
308	K	65	Low	60	Low	152 Å²	152	87.7 Å²	87.7	66%	0.661	48%	0.478	S	S	*	.	H	α-helix	trans	-66.9	-34	175.3	-170.1	174.9	-179.4	-179.6	0	113.1	L304 Y306 K312	L304-K308 VanDerWaalsContact O-CB 3.32Å; L304-K308 WeakPolarHBondContact O-CB 3.31Å; L304-K308 PolarHBondContact O-N 3.17Å; L304-K308 VanDerWaalsContact O-N 3.1Å; Y306-K308 VanDerWaalsContact C-N 3.26Å; Y306-K308 PolarHBondContact O-N 3.41Å; K308-K312 WeakPolarHBondContact O-CB 3.42Å; K308-K312 PolarHBondContact O-N 2.91Å; K308-K312 VanDerWaalsContact O-N 3.13Å
309	K	72.2	Confident	62.6	Low	103 Å²	103	91.6 Å²	91.6	45%	0.448	49%	0.487	S	S	.	.	H	α-helix	trans	-65.9	-45.1	171.9	-171.6	-168.8	176.8	-161.4	0	110.4	N305 Y306 K312 K313 D347	N305-K309 WeakPolarHBondContact O-CB 3.47Å; N305-K309 PolarHBondContact O-N 3.24Å; Y306-K309 WeakPolarHBondContact O-CA 3.19Å; Y306-K309 WeakPolarHBondContact O-CB 3.43Å; Y306-K309 PolarHBondContact O-N 2.88Å; K309-K312 PolarHBondContact O-N 2.9Å; K309-K313 PolarHBondContact O-N 3.41Å; K309-D347 IonicContact NZ-OD1 2.72Å; K309-D347 IonicContact NZ-OD2 2.8Å; K309-D347 PolarHBondContact NZ-OD2 3.21Å
310	T	64.8	Low	65	Low	46 Å²	46	88 Å²	88	28%	0.282	46%	0.462	S	S	.	.	H	α-helix	trans	-66.9	-42.8	-179.9	-54.9	0	0	0	0	112	Y306 L307 K312 K313 L314	Y306-T310 PolarHBondContact O-N 3.15Å; Y306-T310 PolarHBondContact O-OG1 3.42Å; L307-T310 PolarHBondContact O-N 2.98Å; T310-K312 VanDerWaalsContact C-N 3.33Å; T310-K312 PolarHBondContact O-N 3.19Å; T310-K313 PolarHBondContact O-N 3.28Å; T310-L314 PolarHBondContact O-N 3.38Å
311	Q	68.7	Low	67.3	Low	140 Å²	140	83.8 Å²	83.8	65%	0.654	44%	0.435	S	S	*	.	H	α-helix	trans	-60.1	-42.2	173	-173.7	-177.2	4.8	0	0	111.7	L307 L314 S315	L307-Q311 WeakPolarHBondContact O-CB 3.34Å; L307-Q311 PolarHBondContact O-N 3.44Å; Q311-L314 PolarHBondContact O-N 2.93Å; Q311-S315 PolarHBondContact O-N 2.92Å; Q311-S315 PolarHBondContact O-OG 3.46Å
312	K	75.7	Confident	69.3	Low	118 Å²	118	83.2 Å²	83.2	51%	0.513	43%	0.433	S	S	.	.	H	α-helix	trans	-65.1	-44.1	178.1	-172.6	172	-177.5	-71.4	0	112.2	K308 K309 T310 L314 S315 E316	K308-K312 WeakPolarHBondContact O-CB 3.42Å; K308-K312 PolarHBondContact O-N 2.91Å; K308-K312 VanDerWaalsContact O-N 3.13Å; K309-K312 PolarHBondContact O-N 2.9Å; T310-K312 VanDerWaalsContact C-N 3.33Å; T310-K312 PolarHBondContact O-N 3.19Å; K312-L314 PolarHBondContact O-N 3Å; K312-S315 PolarHBondContact O-N 3.43Å; K312-S315 PolarHBondContact O-OG 3.44Å; K312-E316 IonicContact NZ-OE1 2.67Å; K312-E316 PolarHBondContact NZ-OE1 3.43Å; K312-E316 IonicContact NZ-OE2 2.99Å; K312-E316 WeakPolarHBondContact O-CB 3.42Å; K312-E316 VanDerWaalsContact O-CG 3.25Å; K312-E316 WeakPolarHBondContact O-CG 3.31Å; K312-E316 PolarHBondContact O-N 3.24Å
313	K	77.6	Confident	71.4	Confident	30 Å²	30	86.6 Å²	86.6	13%	0.13	44%	0.44	C	S	.	.	H	α-helix	trans	-56.1	-37.9	171.9	-79.6	-176.1	169.8	-122.7	0	112.2	K309 T310 L317 L344 L345 D347	K309-K313 PolarHBondContact O-N 3.41Å; T310-K313 PolarHBondContact O-N 3.28Å; K313-L317 WeakPolarHBondContact O-CB 2.95Å; K313-L317 PolarHBondContact O-N 3.03Å; K313-L344 VanDerWaalsContact CD-O 3.25Å; K313-L344 WeakPolarHBondContact CD-O 3.37Å; K313-L344 VanDerWaalsContact CE-O 3.29Å; K313-L344 WeakPolarHBondContact CE-O 3.42Å; K313-L344 PolarHBondContact NZ-O 3.3Å; K313-L345 PolarHBondContact NZ-O 3.05Å; K313-D347 WeakPolarHBondContact CE-OD1 3.41Å; K313-D347 IonicContact NZ-OD1 2.95Å; K313-D347 PolarHBondContact NZ-OD1 3.49Å
314	L	73.4	Confident	73.5	Confident	78 Å²	78	85 Å²	85	41%	0.408	44%	0.436	S	S	.	.	H	α-helix	trans	-73.3	-42.4	-179.7	-172.6	62.9	0	0	0	112.4	T310 Q311 K312 E316 L317 D318	T310-L314 PolarHBondContact O-N 3.38Å; Q311-L314 PolarHBondContact O-N 2.93Å; K312-L314 PolarHBondContact O-N 3Å; L314-E316 VanDerWaalsContact C-N 3.34Å; L314-E316 PolarHBondContact O-N 2.81Å; L314-L317 HydrophobicContact CD1-CD2 4.26Å; L314-L317 WeakPolarHBondContact O-CB 3.29Å; L314-L317 PolarHBondContact O-N 3.14Å; L314-L317 VanDerWaalsContact O-N 3.11Å; L314-D318 PolarHBondContact O-N 3.38Å
315	S	76.3	Confident	75.7	Confident	53 Å²	53	79.8 Å²	79.8	37%	0.371	41%	0.408	S	S	.	.	H	α-helix	trans	-63.5	-39.9	173.8	50.7	0	0	0	0	112.2	Q311 K312 L317 D318 E319	Q311-S315 PolarHBondContact O-N 2.92Å; Q311-S315 PolarHBondContact O-OG 3.46Å; K312-S315 PolarHBondContact O-N 3.43Å; K312-S315 PolarHBondContact O-OG 3.44Å; S315-L317 PolarHBondContact O-N 3.41Å; S315-D318 PolarHBondContact O-N 2.93Å; S315-E319 WeakPolarHBondContact O-CG 3.34Å; S315-E319 PolarHBondContact O-N 3.32Å
316	E	83.1	Confident	77.1	Confident	67 Å²	67	78.1 Å²	78.1	31%	0.313	40%	0.398	S	S	.	.	H	α-helix	trans	-64.6	-29.1	173.9	-69.7	170.4	151.7	0	0	111.9	K312 L314 S320 L344	K312-E316 IonicContact NZ-OE1 2.67Å; K312-E316 PolarHBondContact NZ-OE1 3.43Å; K312-E316 IonicContact NZ-OE2 2.99Å; K312-E316 WeakPolarHBondContact O-CB 3.42Å; K312-E316 VanDerWaalsContact O-CG 3.25Å; K312-E316 WeakPolarHBondContact O-CG 3.31Å; K312-E316 PolarHBondContact O-N 3.24Å; L314-E316 VanDerWaalsContact C-N 3.34Å; L314-E316 PolarHBondContact O-N 2.81Å; E316-S320 WeakPolarHBondContact O-CB 3.39Å; E316-S320 PolarHBondContact O-N 3.08Å; E316-L344 VanDerWaalsContact C-CD2 3.47Å; E316-L344 HydrophobicContact CB-CD1 4.06Å; E316-L344 HydrophobicContact CB-CD2 3.78Å; E316-L344 HydrophobicContact CB-CG 4.41Å
317	L	82.9	Confident	78.7	Confident	17 Å²	17	79.1 Å²	79.1	9%	0.089	41%	0.405	C	S	.	.	H	α-helix	trans	-72.5	-47.9	174.4	-175.4	78.2	0	0	0	111.1	K313 L314 S315 E319 S320 L321 L337 Q341 L344 L345	K313-L317 WeakPolarHBondContact O-CB 2.95Å; K313-L317 PolarHBondContact O-N 3.03Å; L314-L317 HydrophobicContact CD1-CD2 4.26Å; L314-L317 WeakPolarHBondContact O-CB 3.29Å; L314-L317 PolarHBondContact O-N 3.14Å; L314-L317 VanDerWaalsContact O-N 3.11Å; S315-L317 PolarHBondContact O-N 3.41Å; L317-E319 VanDerWaalsContact C-N 3.29Å; L317-E319 PolarHBondContact O-N 3.14Å; L317-S320 WeakPolarHBondContact O-CA 3.36Å; L317-S320 WeakPolarHBondContact O-CB 3.36Å; L317-S320 PolarHBondContact O-N 2.95Å; L317-S320 PolarHBondContact O-OG 3Å; L317-L321 PolarHBondContact O-N 3.15Å; L317-L337 HydrophobicContact CD1-CD1 4.32Å; L317-L337 HydrophobicContact CD1-CD2 4.17Å; L317-Q341 HydrophobicContact CD1-CB 3.79Å; L317-Q341 HydrophobicContact CD1-CG 4.34Å; L317-L344 HydrophobicContact CB-CD2 4.03Å; L317-L344 HydrophobicContact CD1-CD2 4.34Å; L317-L345 HydrophobicContact CD1-CD1 4.33Å; L317-L345 HydrophobicContact CD1-CG 4.26Å; L317-L345 HydrophobicContact CD2-CD1 3.91Å; L317-L345 HydrophobicContact CD2-CD2 4.16Å; L317-L345 HydrophobicContact CD2-CG 4.2Å
318	D	80.8	Confident	80.3	Confident	100 Å²	100	76.1 Å²	76.1	54%	0.535	39%	0.391	S	S	.	.	H	α-helix	trans	-60.4	-40.5	179.9	-73.7	-28.4	0	0	0	111.1	L314 S315 S320 L321	L314-D318 PolarHBondContact O-N 3.38Å; S315-D318 PolarHBondContact O-N 2.93Å; D318-S320 PolarHBondContact O-N 3.33Å; D318-L321 PolarHBondContact O-N 3.33Å
319	E	86.6	Confident	80.9	Confident	165 Å²	165	72.2 Å²	72.2	77%	0.771	38%	0.376	S	S	*	.	H	α-helix	trans	-63.4	-23.9	171.6	-72.5	173.5	-167	0	0	113.5	S315 L317	S315-E319 WeakPolarHBondContact O-CG 3.34Å; S315-E319 PolarHBondContact O-N 3.32Å; L317-E319 VanDerWaalsContact C-N 3.29Å; L317-E319 PolarHBondContact O-N 3.14Å
320	S	87	Confident	81.1	Confident	33 Å²	33	75.4 Å²	75.4	23%	0.231	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-9.9	-179	83.3	0	0	0	0	114.9	E316 L317 D318 R338 Q341	E316-S320 WeakPolarHBondContact O-CB 3.39Å; E316-S320 PolarHBondContact O-N 3.08Å; L317-S320 WeakPolarHBondContact O-CA 3.36Å; L317-S320 WeakPolarHBondContact O-CB 3.36Å; L317-S320 PolarHBondContact O-N 2.95Å; L317-S320 PolarHBondContact O-OG 3Å; D318-S320 PolarHBondContact O-N 3.33Å; S320-R338 PolarHBondContact O-NH2 3.07Å; S320-Q341 PolarHBondContact O-NE2 3.03Å; S320-Q341 WeakPolarHBondContact OG-CG 3.33Å; S320-Q341 PolarHBondContact OG-NE2 2.7Å
321	L	86.1	Confident	81.7	Confident	34 Å²	34	78.6 Å²	78.6	18%	0.178	41%	0.405	C	S	.	.			trans	-70.8	129.3	-172.9	-69.7	173.7	0	0	0	111.7	L317 D318 Q325 L326 I329 L337	L317-L321 PolarHBondContact O-N 3.15Å; D318-L321 PolarHBondContact O-N 3.33Å; L321-Q325 HydrophobicContact CD2-CB 4.22Å; L321-L326 HydrophobicContact CB-CD2 4.06Å; L321-L326 HydrophobicContact CB-CG 4.22Å; L321-L326 HydrophobicContact CD1-CD2 4.03Å; L321-I329 HydrophobicContact CD1-CD1 4.14Å; L321-L337 HydrophobicContact CD2-CD2 4.26Å
322	S	88.9	Confident	81.9	Confident	45 Å²	45	73.5 Å²	73.5	32%	0.315	38%	0.381	S	S	.	.			trans	-79	158.7	177.1	75	0	0	0	0	112.5	A324 Q325 L326	S322-A324 PolarHBondContact O-N 3.41Å; S322-A324 VanDerWaalsContact O-N 3.11Å; S322-Q325 CarbonylContact O-C 3.55Å; S322-Q325 WeakPolarHBondContact O-CA 3.37Å; S322-Q325 WeakPolarHBondContact O-CB 3.49Å; S322-Q325 PolarHBondContact O-N 3.27Å; S322-Q325 WeakPolarHBondContact OG-CG 3.33Å; S322-Q325 PolarHBondContact OG-N 3.17Å; S322-L326 PolarHBondContact O-N 3.4Å
323	D	90.2	Very high	81.6	Confident	119 Å²	119	69.4 Å²	69.4	64%	0.636	37%	0.372	S	S	*	.	H	α-helix	trans	-54.3	-31.8	173.2	-78.6	-49.1	0	0	0	113.6	K327	D323-K327 VanDerWaalsContact O-CB 3.32Å; D323-K327 WeakPolarHBondContact O-CB 3.48Å; D323-K327 WeakPolarHBondContact O-CD 3.46Å; D323-K327 WeakPolarHBondContact O-CG 3.27Å; D323-K327 PolarHBondContact O-N 3.45Å
324	A	87.4	Confident	81.7	Confident	65 Å²	65	69.3 Å²	69.3	54%	0.537	37%	0.371	S	S	.	.	H	α-helix	trans	-71	-36.3	175	0	0	0	0	0	111.9	S322 T328	S322-A324 PolarHBondContact O-N 3.41Å; S322-A324 VanDerWaalsContact O-N 3.11Å; A324-T328 WeakPolarHBondContact O-CB 3.34Å; A324-T328 WeakPolarHBondContact O-CG2 3.28Å; A324-T328 PolarHBondContact O-N 2.7Å; A324-T328 PolarHBondContact O-OG1 2.84Å
325	Q	87.3	Confident	82.2	Confident	12 Å²	12	66.9 Å²	66.9	6%	0.056	36%	0.362	C	S	.	.	H	α-helix	trans	-69.3	-43.1	171.8	-68.9	174.8	-49.9	0	0	111	L321 S322 K327 T328 I329 A335 F336	L321-Q325 HydrophobicContact CD2-CB 4.22Å; S322-Q325 CarbonylContact O-C 3.55Å; S322-Q325 WeakPolarHBondContact O-CA 3.37Å; S322-Q325 WeakPolarHBondContact O-CB 3.49Å; S322-Q325 PolarHBondContact O-N 3.27Å; S322-Q325 WeakPolarHBondContact OG-CG 3.33Å; S322-Q325 PolarHBondContact OG-N 3.17Å; Q325-K327 VanDerWaalsContact C-N 3.34Å; Q325-K327 PolarHBondContact O-N 2.99Å; Q325-T328 WeakPolarHBondContact CA-OG1 3.39Å; Q325-T328 PolarHBondContact O-N 2.74Å; Q325-T328 PolarHBondContact O-OG1 3.39Å; Q325-I329 WeakPolarHBondContact O-CB 3.25Å; Q325-I329 WeakPolarHBondContact O-CD1 3.35Å; Q325-I329 VanDerWaalsContact O-CG1 3.23Å; Q325-I329 WeakPolarHBondContact O-CG1 3.49Å; Q325-I329 PolarHBondContact O-N 3.05Å; Q325-A335 HydrophobicContact CB-CB 4.03Å; Q325-A335 HydrophobicContact CG-CB 4.19Å; Q325-F336 PolarHBondContact NE2-O 3.1Å
326	L	85.5	Confident	82.6	Confident	67 Å²	67	66 Å²	66	35%	0.351	35%	0.352	S	S	.	.	H	α-helix	trans	-64.7	-35.4	176.1	-65.2	174.6	0	0	0	112.7	L321 S322 K330	L321-L326 HydrophobicContact CB-CD2 4.06Å; L321-L326 HydrophobicContact CB-CG 4.22Å; L321-L326 HydrophobicContact CD1-CD2 4.03Å; S322-L326 PolarHBondContact O-N 3.4Å; L326-K330 WeakPolarHBondContact O-CD 3.36Å; L326-K330 VanDerWaalsContact O-CG 3.28Å; L326-K330 WeakPolarHBondContact O-CG 3.37Å; L326-K330 PolarHBondContact O-N 3.04Å
327	K	87	Confident	82.7	Confident	128 Å²	128	64.5 Å²	64.5	56%	0.557	35%	0.346	S	S	*	.	H	α-helix	trans	-66.9	-49.5	170.2	-74.8	165	-174.4	171.3	0	111.4	D323 Q325 I329 K330 D331	D323-K327 VanDerWaalsContact O-CB 3.32Å; D323-K327 WeakPolarHBondContact O-CB 3.48Å; D323-K327 WeakPolarHBondContact O-CD 3.46Å; D323-K327 WeakPolarHBondContact O-CG 3.27Å; D323-K327 PolarHBondContact O-N 3.45Å; Q325-K327 VanDerWaalsContact C-N 3.34Å; Q325-K327 PolarHBondContact O-N 2.99Å; K327-I329 VanDerWaalsContact C-N 3.32Å; K327-I329 PolarHBondContact O-N 3.35Å; K327-K330 CarbonylContact O-C 3.59Å; K327-K330 WeakPolarHBondContact O-CA 3.1Å; K327-K330 WeakPolarHBondContact O-CB 3.35Å; K327-K330 PolarHBondContact O-N 3.41Å; K327-D331 WeakPolarHBondContact O-CB 3.45Å; K327-D331 VanDerWaalsContact O-CG 3.25Å; K327-D331 PolarHBondContact O-N 3.26Å
328	T	81	Confident	82.7	Confident	27 Å²	27	69 Å²	69	17%	0.166	36%	0.362	C	S	.	.	H	α-helix	trans	-66.4	-29.3	178.8	48.3	0	0	0	0	113.8	A324 Q325 D331 K332 G333 Y334	A324-T328 WeakPolarHBondContact O-CB 3.34Å; A324-T328 WeakPolarHBondContact O-CG2 3.28Å; A324-T328 PolarHBondContact O-N 2.7Å; A324-T328 PolarHBondContact O-OG1 2.84Å; Q325-T328 WeakPolarHBondContact CA-OG1 3.39Å; Q325-T328 PolarHBondContact O-N 2.74Å; Q325-T328 PolarHBondContact O-OG1 3.39Å; T328-D331 PolarHBondContact O-N 3.38Å; T328-K332 HydrophobicContact CG2-CD 4.32Å; T328-K332 WeakPolarHBondContact O-CA 3.02Å; T328-K332 VanDerWaalsContact O-CB 3.25Å; T328-K332 WeakPolarHBondContact O-CB 3.44Å; T328-K332 PolarHBondContact O-N 2.81Å; T328-G333 PolarHBondContact O-N 3.38Å; T328-Y334 CarbonylContact C-O 3.21Å
329	I	77.7	Confident	82.7	Confident	69 Å²	69	65.4 Å²	65.4	35%	0.354	34%	0.342	S	S	.	.	H	α-helix	trans	-62.2	-44.5	167.9	-72	161.8	0	0	0	110.7	L321 Q325 K327 G333 A335	L321-I329 HydrophobicContact CD1-CD1 4.14Å; Q325-I329 WeakPolarHBondContact O-CB 3.25Å; Q325-I329 WeakPolarHBondContact O-CD1 3.35Å; Q325-I329 VanDerWaalsContact O-CG1 3.23Å; Q325-I329 WeakPolarHBondContact O-CG1 3.49Å; Q325-I329 PolarHBondContact O-N 3.05Å; K327-I329 VanDerWaalsContact C-N 3.32Å; K327-I329 PolarHBondContact O-N 3.35Å; I329-G333 WeakPolarHBondContact O-CA 3.42Å; I329-G333 PolarHBondContact O-N 2.78Å; I329-A335 HydrophobicContact CD1-CB 4.23Å; I329-A335 HydrophobicContact CG1-CB 3.8Å
330	K	74.6	Confident	82.5	Confident	170 Å²	170	62.7 Å²	62.7	74%	0.739	33%	0.333	S	S	*	.	H	α-helix	trans	-67.8	-38.6	176.5	-69.1	166.4	-175.8	176.5	0	112.9	L326 K327	L326-K330 WeakPolarHBondContact O-CD 3.36Å; L326-K330 VanDerWaalsContact O-CG 3.28Å; L326-K330 WeakPolarHBondContact O-CG 3.37Å; L326-K330 PolarHBondContact O-N 3.04Å; K327-K330 CarbonylContact O-C 3.59Å; K327-K330 WeakPolarHBondContact O-CA 3.1Å; K327-K330 WeakPolarHBondContact O-CB 3.35Å; K327-K330 PolarHBondContact O-N 3.41Å
331	D	78	Confident	82.4	Confident	113 Å²	113	61.3 Å²	61.3	60%	0.604	32%	0.323	S	S	*	.	H	α-helix	trans	-89.4	-43.7	-172.1	-63.5	-27.8	0	0	0	114.1	K327 T328	K327-D331 WeakPolarHBondContact O-CB 3.45Å; K327-D331 VanDerWaalsContact O-CG 3.25Å; K327-D331 PolarHBondContact O-N 3.26Å; T328-D331 PolarHBondContact O-N 3.38Å
332	K	73.4	Confident	82	Confident	34 Å²	34	61 Å²	61	15%	0.148	32%	0.321	C	S	.	.	H	α-helix	trans	-98.1	-20.1	-178.3	-52.7	-173.4	-173.5	-175.1	0	112.8	T328 Y334 E363 E367	T328-K332 HydrophobicContact CG2-CD 4.32Å; T328-K332 WeakPolarHBondContact O-CA 3.02Å; T328-K332 VanDerWaalsContact O-CB 3.25Å; T328-K332 WeakPolarHBondContact O-CB 3.44Å; T328-K332 PolarHBondContact O-N 2.81Å; K332-Y334 VanDerWaalsContact C-N 3.28Å; K332-Y334 HydrophobicContact CB-CD1 4.1Å; K332-Y334 HydrophobicContact CB-CE1 3.96Å; K332-Y334 WeakPolarHBondContact O-CD1 3.46Å; K332-E363 IonicContact NZ-OE2 2.56Å; K332-E363 PolarHBondContact NZ-OE2 2.96Å; K332-E367 IonicContact NZ-OE1 2.71Å; K332-E367 PolarHBondContact NZ-OE1 2.94Å
333	G	68.9	Low	81.5	Confident	32 Å²	32	62.3 Å²	62.3	33%	0.33	32%	0.323	S	S	.	.	S	Bend	trans	81.6	0.7	-171.2	0	0	0	0	0	114.6	T328 I329	T328-G333 PolarHBondContact O-N 3.38Å; I329-G333 WeakPolarHBondContact O-CA 3.42Å; I329-G333 PolarHBondContact O-N 2.78Å
334	Y	79.5	Confident	81	Confident	28 Å²	28	59 Å²	59	11%	0.11	31%	0.305	C	S	.	.			trans	-157.3	154.9	177.6	66.3	-85.4	0	0	0	109.9	R78 T328 K332 F336 L370	R78-Y334 PolarHBondContact NH1-OH 3.42Å; T328-Y334 CarbonylContact C-O 3.21Å; K332-Y334 VanDerWaalsContact C-N 3.28Å; K332-Y334 HydrophobicContact CB-CD1 4.1Å; K332-Y334 HydrophobicContact CB-CE1 3.96Å; K332-Y334 WeakPolarHBondContact O-CD1 3.46Å; Y334-F336 HydrophobicContact CE2-CE1 4.4Å; Y334-F336 HydrophobicContact CE2-CE2 4.28Å; Y334-F336 AromaticContact CE2-CZ 3.99Å; Y334-F336 HydrophobicContact CE2-CZ 3.99Å; Y334-L370 HydrophobicContact CE2-CD2 4.28Å
335	A	83.8	Confident	80.3	Confident	27 Å²	27	58.3 Å²	58.3	22%	0.223	29%	0.292	C	S	.	.			trans	-125.2	154.3	168.6	0	0	0	0	0	110.3	Q325 I329	Q325-A335 HydrophobicContact CB-CB 4.03Å; Q325-A335 HydrophobicContact CG-CB 4.19Å; I329-A335 HydrophobicContact CD1-CB 4.23Å; I329-A335 HydrophobicContact CG1-CB 3.8Å
336	F	85.6	Confident	79.5	Confident	34 Å²	34	59.6 Å²	59.6	15%	0.149	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-80.9	132.7	164.5	-63.2	-63.1	0	0	0	108.9	F49 Q325 Y334 E363 K366 E367	F49-F336 HydrophobicContact CZ-CE1 4.4Å; Q325-F336 PolarHBondContact NE2-O 3.1Å; Y334-F336 HydrophobicContact CE2-CE1 4.4Å; Y334-F336 HydrophobicContact CE2-CE2 4.28Å; Y334-F336 AromaticContact CE2-CZ 3.99Å; Y334-F336 HydrophobicContact CE2-CZ 3.99Å; F336-E363 HydrophobicContact CD2-CG 4.36Å; F336-K366 HydrophobicContact CB-CD 4.33Å; F336-K366 HydrophobicContact CD1-CB 4.07Å; F336-K366 HydrophobicContact CD1-CD 4.46Å; F336-K366 HydrophobicContact CD2-CB 4.04Å; F336-K366 HydrophobicContact CD2-CD 4.42Å; F336-K366 HydrophobicContact CE1-CB 3.79Å; F336-K366 HydrophobicContact CE2-CB 3.75Å; F336-K366 HydrophobicContact CG-CB 4.19Å; F336-K366 HydrophobicContact CG-CD 4.16Å; F336-K366 VanDerWaalsContact CZ-C 3.5Å; F336-K366 HydrophobicContact CZ-CB 3.62Å; F336-E367 HydrophobicContact CE2-CG 3.74Å; F336-E367 HydrophobicContact CZ-CG 3.78Å
337	L	84.1	Confident	78.7	Confident	36 Å²	36	60.4 Å²	60.4	19%	0.188	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-73.7	160.8	172.5	-65.5	-178.5	0	0	0	110.4	L317 L321 Q341 L342 L345 Y358	L317-L337 HydrophobicContact CD1-CD1 4.32Å; L317-L337 HydrophobicContact CD1-CD2 4.17Å; L321-L337 HydrophobicContact CD2-CD2 4.26Å; L337-Q341 HydrophobicContact CB-CB 4.08Å; L337-Q341 HydrophobicContact CD2-CB 4.24Å; L337-L342 HydrophobicContact CB-CD2 4.24Å; L337-L342 HydrophobicContact CB-CG 4.04Å; L337-L342 HydrophobicContact CD1-CD2 4.05Å; L337-L345 HydrophobicContact CD1-CD1 3.71Å; L337-Y358 WeakPolarHBondContact O-CE1 3.49Å
338	R	84.3	Confident	77.6	Confident	110 Å²	110	61 Å²	61	42%	0.415	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-86	162.9	166.4	-64.5	178.6	-78.6	160	-8.2	109.9	S320 D340 Q341 L342	S320-R338 PolarHBondContact O-NH2 3.07Å; R338-D340 VanDerWaalsContact C-N 3.33Å; R338-D340 PolarHBondContact O-N 3.17Å; R338-Q341 HydrophobicContact CB-CG 4.21Å; R338-Q341 WeakPolarHBondContact O-CB 3.44Å; R338-Q341 PolarHBondContact O-N 3.32Å; R338-L342 PolarHBondContact O-N 3.33Å
339	D	81.1	Confident	76.7	Confident	25 Å²	25	69.6 Å²	69.6	13%	0.134	34%	0.342	C	S	.	.	H	α-helix	trans	-58.5	-45.6	179.5	-65.7	29.8	0	0	0	111	Q341 L342 E343 P355 Y358 S359	D339-Q341 PolarHBondContact O-N 2.86Å; D339-L342 CarbonylContact O-C 3.46Å; D339-L342 WeakPolarHBondContact O-CA 3.49Å; D339-L342 WeakPolarHBondContact O-CB 3.42Å; D339-L342 PolarHBondContact O-N 2.75Å; D339-E343 WeakPolarHBondContact O-CG 2.95Å; D339-E343 PolarHBondContact O-N 3.24Å; D339-P355 WeakPolarHBondContact OD2-CB 3.42Å; D339-Y358 WeakPolarHBondContact OD1-CD1 3.37Å; D339-S359 PolarHBondContact OD1-OG 3.23Å; D339-S359 WeakPolarHBondContact OD2-CB 3.46Å; D339-S359 PolarHBondContact OD2-OG 3.13Å
340	D	82.3	Confident	75.8	Confident	109 Å²	109	68.4 Å²	68.4	58%	0.583	34%	0.34	S	S	*	.	H	α-helix	trans	-53.6	-38	174.4	-27.1	-44.9	0	0	0	112.8	R338 L344	R338-D340 VanDerWaalsContact C-N 3.33Å; R338-D340 PolarHBondContact O-N 3.17Å; D340-L344 PolarHBondContact O-N 3.2Å
341	Q	84.8	Confident	75.1	Confident	4 Å²	4	62 Å²	62	2%	0.019	31%	0.313	C	S	.	.	H	α-helix	trans	-78.4	-27.8	-179.9	-64.4	174	-42.9	0	0	112.1	L317 S320 L337 R338 D339 L345	L317-Q341 HydrophobicContact CD1-CB 3.79Å; L317-Q341 HydrophobicContact CD1-CG 4.34Å; S320-Q341 PolarHBondContact O-NE2 3.03Å; S320-Q341 WeakPolarHBondContact OG-CG 3.33Å; S320-Q341 PolarHBondContact OG-NE2 2.7Å; L337-Q341 HydrophobicContact CB-CB 4.08Å; L337-Q341 HydrophobicContact CD2-CB 4.24Å; R338-Q341 HydrophobicContact CB-CG 4.21Å; R338-Q341 WeakPolarHBondContact O-CB 3.44Å; R338-Q341 PolarHBondContact O-N 3.32Å; D339-Q341 PolarHBondContact O-N 2.86Å; Q341-L345 PolarHBondContact O-N 3.42Å
342	L	77.1	Confident	74.1	Confident	26 Å²	26	58.1 Å²	58.1	14%	0.136	30%	0.295	C	S	.	.	H	α-helix	trans	-73.3	-39.1	170.7	-71.8	166.9	0	0	0	111.2	L337 R338 D339 L344 L345 Y346 L351 Y358	L337-L342 HydrophobicContact CB-CD2 4.24Å; L337-L342 HydrophobicContact CB-CG 4.04Å; L337-L342 HydrophobicContact CD1-CD2 4.05Å; R338-L342 PolarHBondContact O-N 3.33Å; D339-L342 CarbonylContact O-C 3.46Å; D339-L342 WeakPolarHBondContact O-CA 3.49Å; D339-L342 WeakPolarHBondContact O-CB 3.42Å; D339-L342 PolarHBondContact O-N 2.75Å; L342-L344 VanDerWaalsContact C-N 3.27Å; L342-L344 PolarHBondContact O-N 3.07Å; L342-L345 PolarHBondContact O-N 3.15Å; L342-Y346 HydrophobicContact CD2-CD2 4.22Å; L342-Y346 HydrophobicContact CD2-CE2 4.11Å; L342-Y346 PolarHBondContact O-N 3.32Å; L342-L351 HydrophobicContact CB-CD2 3.92Å; L342-Y358 HydrophobicContact CD1-CD1 3.63Å; L342-Y358 HydrophobicContact CD1-CE1 3.45Å; L342-Y358 VanDerWaalsContact CD1-CE1 3.45Å
343	E	78.7	Confident	73.7	Confident	74 Å²	74	57.6 Å²	57.6	35%	0.346	29%	0.294	S	S	.	.	H	α-helix	trans	-65.2	-29.7	174.1	-60.5	-151.2	137.1	0	0	113	D339 Y346 K348 L351	D339-E343 WeakPolarHBondContact O-CG 2.95Å; D339-E343 PolarHBondContact O-N 3.24Å; E343-Y346 VanDerWaalsContact O-O 3.08Å; E343-K348 IonicContact OE1-NZ 3.23Å; E343-K348 PolarHBondContact OE1-NZ 2.8Å; E343-K348 WeakPolarHBondContact OE2-CE 3.27Å; E343-K348 IonicContact OE2-NZ 3.3Å; E343-K348 PolarHBondContact OE2-NZ 2.7Å; E343-L351 HydrophobicContact CG-CD1 4.22Å
344	L	79.9	Confident	73.7	Confident	49 Å²	49	63 Å²	63	26%	0.257	31%	0.31	S	S	.	.	H	α-helix	trans	-65.9	-44.6	174.4	-175.4	67.6	0	0	0	111.6	K313 E316 L317 D340 L342	K313-L344 VanDerWaalsContact CD-O 3.25Å; K313-L344 WeakPolarHBondContact CD-O 3.37Å; K313-L344 VanDerWaalsContact CE-O 3.29Å; K313-L344 WeakPolarHBondContact CE-O 3.42Å; K313-L344 PolarHBondContact NZ-O 3.3Å; E316-L344 VanDerWaalsContact C-CD2 3.47Å; E316-L344 HydrophobicContact CB-CD1 4.06Å; E316-L344 HydrophobicContact CB-CD2 3.78Å; E316-L344 HydrophobicContact CB-CG 4.41Å; L317-L344 HydrophobicContact CB-CD2 4.03Å; L317-L344 HydrophobicContact CD1-CD2 4.34Å; D340-L344 PolarHBondContact O-N 3.2Å; L342-L344 VanDerWaalsContact C-N 3.27Å; L342-L344 PolarHBondContact O-N 3.07Å
345	L	72.3	Confident	73.1	Confident	50 Å²	50	64 Å²	64	26%	0.262	32%	0.32	S	S	.	.	H	α-helix	trans	-75.2	-54.8	178.3	-73.8	177.3	0	0	0	112.6	K313 L317 L337 Q341 L342	K313-L345 PolarHBondContact NZ-O 3.05Å; L317-L345 HydrophobicContact CD1-CD1 4.33Å; L317-L345 HydrophobicContact CD1-CG 4.26Å; L317-L345 HydrophobicContact CD2-CD1 3.91Å; L317-L345 HydrophobicContact CD2-CD2 4.16Å; L317-L345 HydrophobicContact CD2-CG 4.2Å; L337-L345 HydrophobicContact CD1-CD1 3.71Å; Q341-L345 PolarHBondContact O-N 3.42Å; L342-L345 PolarHBondContact O-N 3.15Å
346	Y	70.8	Confident	72.5	Confident	40 Å²	40	65.8 Å²	65.8	16%	0.157	34%	0.336	C	S	.	.	S	Bend	trans	-98.5	119.5	-175	-60.7	-86.2	0	0	0	110	T55 L342 E343 K348 P352	T55-Y346 HydrophobicContact CG2-CE1 4.22Å; L342-Y346 HydrophobicContact CD2-CD2 4.22Å; L342-Y346 HydrophobicContact CD2-CE2 4.11Å; L342-Y346 PolarHBondContact O-N 3.32Å; E343-Y346 VanDerWaalsContact O-O 3.08Å; Y346-K348 PolarHBondContact O-N 3.35Å; Y346-P352 HydrophobicContact CE1-CG 4.37Å; Y346-P352 HydrophobicContact CE2-CG 4.36Å
347	D	68.8	Low	71.9	Confident	83 Å²	83	67 Å²	67	44%	0.444	34%	0.343	S	S	.	.			trans	-58.2	137	173.1	-65.2	-7.4	0	0	0	108.6	K309 K313 Q349 S350	K309-D347 IonicContact NZ-OD1 2.72Å; K309-D347 IonicContact NZ-OD2 2.8Å; K309-D347 PolarHBondContact NZ-OD2 3.21Å; K313-D347 WeakPolarHBondContact CE-OD1 3.41Å; K313-D347 IonicContact NZ-OD1 2.95Å; K313-D347 PolarHBondContact NZ-OD1 3.49Å; D347-Q349 PolarHBondContact O-N 3.39Å; D347-S350 PolarHBondContact N-OG 3.1Å; D347-S350 WeakPolarHBondContact O-CA 3.39Å; D347-S350 WeakPolarHBondContact O-CB 3.34Å; D347-S350 PolarHBondContact O-N 3.18Å; D347-S350 PolarHBondContact O-OG 2.72Å
348	K	63.3	Low	71.5	Confident	141 Å²	141	65.7 Å²	65.7	61%	0.613	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-50.8	-26.4	-161	-71.5	175.4	-179.1	-92.1	0	116.8	E343 Y346 S350 L351	E343-K348 IonicContact OE1-NZ 3.23Å; E343-K348 PolarHBondContact OE1-NZ 2.8Å; E343-K348 WeakPolarHBondContact OE2-CE 3.27Å; E343-K348 IonicContact OE2-NZ 3.3Å; E343-K348 PolarHBondContact OE2-NZ 2.7Å; Y346-K348 PolarHBondContact O-N 3.35Å; K348-S350 VanDerWaalsContact C-N 3.32Å; K348-L351 HydrophobicContact CB-CD1 4.44Å
349	Q	60.8	Low	71.2	Confident	207 Å²	207	64.1 Å²	64.1	97%	0.967	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-79	-14.2	177.4	-65.2	173.5	-11.7	0	0	113.5	D347	D347-Q349 PolarHBondContact O-N 3.39Å
350	S	59.7	Low	71.2	Confident	45 Å²	45	71.7 Å²	71.7	32%	0.315	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-111.4	6	-175.9	70.4	0	0	0	0	113.7	D347 K348 P352	D347-S350 PolarHBondContact N-OG 3.1Å; D347-S350 WeakPolarHBondContact O-CA 3.39Å; D347-S350 WeakPolarHBondContact O-CB 3.34Å; D347-S350 PolarHBondContact O-N 3.18Å; D347-S350 PolarHBondContact O-OG 2.72Å; K348-S350 VanDerWaalsContact C-N 3.32Å; S350-P352 WeakPolarHBondContact O-CD 3.48Å
351	L	59.1	Low	71	Confident	34 Å²	34	67.7 Å²	67.7	18%	0.178	35%	0.347	C	S	.	.			trans	-58.9	120.9	178.7	-84.2	161.7	0	0	0	109.7	L342 E343 K348 P355	L342-L351 HydrophobicContact CB-CD2 3.92Å; E343-L351 HydrophobicContact CG-CD1 4.22Å; K348-L351 HydrophobicContact CB-CD1 4.44Å; L351-P355 HydrophobicContact CD1-CG 3.95Å
352	P	57.7	Low	71	Confident	33 Å²	33	72.4 Å²	72.4	21%	0.214	37%	0.372	C	S	.	.	S	Bend	trans	-69.8	-45.9	-172.3	24.4	-32.5	0	0	0	111.7	P50 T55 Y346 S350	P50-P352 HydrophobicContact CG-CB 3.74Å; P50-P352 WeakPolarHBondContact CG-O 3.33Å; P50-P352 VanDerWaalsContact O-CB 3.27Å; P50-P352 WeakPolarHBondContact O-CB 3.22Å; T55-P352 HydrophobicContact CG2-CB 4.44Å; Y346-P352 HydrophobicContact CE1-CG 4.37Å; Y346-P352 HydrophobicContact CE2-CG 4.36Å; S350-P352 WeakPolarHBondContact O-CD 3.48Å
353	V	64.7	Low	71.1	Confident	22 Å²	22	76.4 Å²	76.4	13%	0.133	39%	0.39	C	S	.	.	S	Bend	trans	-96.3	144.2	179.8	-164.8	0	0	0	0	110.1	F49 P355 Y358	F49-V353 HydrophobicContact CD1-CG2 4.32Å; F49-V353 HydrophobicContact CE1-CG2 4.47Å; V353-P355 WeakPolarHBondContact O-CD 3.45Å; V353-P355 VanDerWaalsContact O-N 3.15Å; V353-Y358 HydrophobicContact CG1-CD2 4.13Å; V353-Y358 HydrophobicContact CG1-CG 4.33Å
354	Q	69.1	Low	71.2	Confident	145 Å²	145	78.8 Å²	78.8	68%	0.678	40%	0.401	S	S	*	.			trans	-58.1	113.1	167.2	-66.4	-179.1	4.6	0	0	109.7	A356 L357 Y358	Q354-A356 PolarHBondContact O-N 3.16Å; Q354-L357 HydrophobicContact CB-CB 4.2Å; Q354-L357 PolarHBondContact O-N 3.2Å; Q354-Y358 PolarHBondContact O-N 3.06Å
355	P	68.1	Low	71.2	Confident	49 Å²	49	80.1 Å²	80.1	32%	0.318	41%	0.406	S	S	.	.	H	α-helix	trans	-60.8	-45.7	-171.9	-25.3	35.5	0	0	0	111.9	D339 L351 V353 L357 Y358 S359	D339-P355 WeakPolarHBondContact OD2-CB 3.42Å; L351-P355 HydrophobicContact CD1-CG 3.95Å; V353-P355 WeakPolarHBondContact O-CD 3.45Å; V353-P355 VanDerWaalsContact O-N 3.15Å; P355-L357 PolarHBondContact O-N 2.83Å; P355-Y358 PolarHBondContact O-N 2.92Å; P355-S359 PolarHBondContact O-N 2.82Å
356	A	69.9	Low	71.7	Confident	66 Å²	66	78.8 Å²	78.8	55%	0.545	40%	0.398	S	S	.	.	H	α-helix	trans	-59.8	-14.5	177.4	0	0	0	0	0	114.9	Q354 R360	Q354-A356 PolarHBondContact O-N 3.16Å; A356-R360 VanDerWaalsContact O-CZ 3.25Å; A356-R360 PolarHBondContact O-NE 3.47Å; A356-R360 PolarHBondContact O-NH2 3.48Å
357	L	73	Confident	72.2	Confident	59 Å²	59	78.3 Å²	78.3	31%	0.309	40%	0.398	S	S	.	.	H	α-helix	trans	-96.4	-42.1	169.2	-174.3	56.3	0	0	0	110.8	P47 Q354 P355 S359 R360 M361	P47-L357 HydrophobicContact CB-CD2 4.38Å; P47-L357 HydrophobicContact CG-CD2 3.45Å; P47-L357 VanDerWaalsContact CG-CD2 3.45Å; P47-L357 HydrophobicContact CG-CG 4.45Å; Q354-L357 HydrophobicContact CB-CB 4.2Å; Q354-L357 PolarHBondContact O-N 3.2Å; P355-L357 PolarHBondContact O-N 2.83Å; L357-S359 PolarHBondContact O-N 2.97Å; L357-R360 PolarHBondContact O-N 3.27Å; L357-M361 WeakPolarHBondContact O-CG 3.48Å; L357-M361 PolarHBondContact O-N 3.33Å; L357-M361 VanDerWaalsContact O-N 3.14Å
358	Y	75.8	Confident	72.7	Confident	8 Å²	8	77.4 Å²	77.4	3%	0.031	39%	0.39	C	S	.	.	H	α-helix	trans	-60.7	-40.1	177.5	-168.5	-109.3	0	0	0	113.6	F49 L337 D339 L342 V353 Q354 P355 R360 M361 K366	F49-Y358 HydrophobicContact CE1-CE2 4.22Å; F49-Y358 HydrophobicContact CE2-CE2 4.43Å; F49-Y358 AromaticContact CZ-CE2 3.68Å; F49-Y358 HydrophobicContact CZ-CE2 3.68Å; L337-Y358 WeakPolarHBondContact O-CE1 3.49Å; D339-Y358 WeakPolarHBondContact OD1-CD1 3.37Å; L342-Y358 HydrophobicContact CD1-CD1 3.63Å; L342-Y358 HydrophobicContact CD1-CE1 3.45Å; L342-Y358 VanDerWaalsContact CD1-CE1 3.45Å; V353-Y358 HydrophobicContact CG1-CD2 4.13Å; V353-Y358 HydrophobicContact CG1-CG 4.33Å; Q354-Y358 PolarHBondContact O-N 3.06Å; P355-Y358 PolarHBondContact O-N 2.92Å; Y358-R360 VanDerWaalsContact C-N 3.28Å; Y358-R360 PolarHBondContact O-N 3.32Å; Y358-M361 PolarHBondContact O-N 3.41Å; Y358-K366 HydrophobicContact CD2-CD 4.36Å; Y358-K366 HydrophobicContact CE2-CD 3.73Å; Y358-K366 HydrophobicContact CE2-CG 4.08Å; Y358-K366 WeakPolarHBondContact O-CE 3.44Å; Y358-K366 PolarHBondContact O-NZ 2.57Å
359	S	77.3	Confident	73.4	Confident	78 Å²	78	70.9 Å²	70.9	55%	0.545	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-35.5	171.2	-94.5	0	0	0	0	113.2	D339 P355 L357	D339-S359 PolarHBondContact OD1-OG 3.23Å; D339-S359 WeakPolarHBondContact OD2-CB 3.46Å; D339-S359 PolarHBondContact OD2-OG 3.13Å; P355-S359 PolarHBondContact O-N 2.82Å; L357-S359 PolarHBondContact O-N 2.97Å
360	R	82.2	Confident	74.4	Confident	184 Å²	184	61.9 Å²	61.9	69%	0.694	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-19.3	-178	-86.1	-176.9	-76.7	-178.5	-4.3	113.7	A356 L357 Y358	A356-R360 VanDerWaalsContact O-CZ 3.25Å; A356-R360 PolarHBondContact O-NE 3.47Å; A356-R360 PolarHBondContact O-NH2 3.48Å; L357-R360 PolarHBondContact O-N 3.27Å; Y358-R360 VanDerWaalsContact C-N 3.28Å; Y358-R360 PolarHBondContact O-N 3.32Å
361	M	77.3	Confident	75.5	Confident	25 Å²	25	61.2 Å²	61.2	12%	0.123	31%	0.314	C	S	.	.	S	Bend	trans	-75.4	127.9	-178.1	-72.5	171.6	73	0	0	112.3	L357 Y358 E365 K366 A369	L357-M361 WeakPolarHBondContact O-CG 3.48Å; L357-M361 PolarHBondContact O-N 3.33Å; L357-M361 VanDerWaalsContact O-N 3.14Å; Y358-M361 PolarHBondContact O-N 3.41Å; M361-E365 VanDerWaalsContact CA-OE2 3.23Å; M361-E365 WeakPolarHBondContact CA-OE2 3.28Å; M361-E365 HydrophobicContact CB-CB 4.14Å; M361-E365 HydrophobicContact CE-CB 3.97Å; M361-E365 WeakPolarHBondContact CE-O 3.42Å; M361-E365 HydrophobicContact CG-CB 4.41Å; M361-K366 HydrophobicContact CB-CG 3.89Å; M361-K366 HydrophobicContact CE-CG 4.45Å; M361-K366 VanDerWaalsContact O-CE 3.27Å; M361-K366 WeakPolarHBondContact O-CE 3.25Å; M361-A369 HydrophobicContact CE-CB 3.91Å
362	N	84.6	Confident	76.5	Confident	103 Å²	103	62.2 Å²	62.2	55%	0.551	32%	0.317	S	S	*	.			trans	-63.3	159.2	171.9	-69.9	-69.4	0	0	0	111.6	Q364 E365 K366	N362-Q364 PolarHBondContact O-N 3.36Å; N362-Q364 VanDerWaalsContact O-N 3.1Å; N362-E365 HydrophobicContact CB-CG 4.46Å; N362-E365 WeakPolarHBondContact CB-OE1 3.24Å; N362-E365 PolarHBondContact N-OE2 2.58Å; N362-E365 PolarHBondContact ND2-OE1 2.92Å; N362-E365 PolarHBondContact O-N 2.82Å; N362-K366 PolarHBondContact O-N 3.21Å
363	E	80.8	Confident	77.5	Confident	109 Å²	109	61.9 Å²	61.9	51%	0.509	31%	0.312	S	S	.	.	H	α-helix	trans	-53.2	-34.8	174.4	-95	-157.1	-145.3	0	0	112.8	K332 F336 K366 E367	K332-E363 IonicContact NZ-OE2 2.56Å; K332-E363 PolarHBondContact NZ-OE2 2.96Å; F336-E363 HydrophobicContact CD2-CG 4.36Å; E363-K366 PolarHBondContact O-N 3.2Å; E363-E367 WeakPolarHBondContact O-CG 3.42Å; E363-E367 PolarHBondContact O-N 2.83Å
364	Q	79.2	Confident	78.4	Confident	124 Å²	124	60.9 Å²	60.9	58%	0.579	31%	0.306	S	S	*	.	H	α-helix	trans	-68.1	-41.2	177.8	-59.7	-170.1	25.9	0	0	112.1	N362 K366 E367 E368	N362-Q364 PolarHBondContact O-N 3.36Å; N362-Q364 VanDerWaalsContact O-N 3.1Å; Q364-K366 VanDerWaalsContact C-N 3.34Å; Q364-E367 CarbonylContact O-C 3.49Å; Q364-E367 PolarHBondContact O-N 2.84Å; Q364-E368 WeakPolarHBondContact O-CG 3.37Å; Q364-E368 PolarHBondContact O-N 3.41Å
365	E	81.2	Confident	79	Confident	77 Å²	77	55.6 Å²	55.6	36%	0.36	28%	0.282	S	S	.	.	H	α-helix	trans	-68.7	-34.7	176.5	-68.6	146	-143	0	0	111.4	M361 N362 E368 A369	M361-E365 VanDerWaalsContact CA-OE2 3.23Å; M361-E365 WeakPolarHBondContact CA-OE2 3.28Å; M361-E365 HydrophobicContact CB-CB 4.14Å; M361-E365 HydrophobicContact CE-CB 3.97Å; M361-E365 WeakPolarHBondContact CE-O 3.42Å; M361-E365 HydrophobicContact CG-CB 4.41Å; N362-E365 HydrophobicContact CB-CG 4.46Å; N362-E365 WeakPolarHBondContact CB-OE1 3.24Å; N362-E365 PolarHBondContact N-OE2 2.58Å; N362-E365 PolarHBondContact ND2-OE1 2.92Å; N362-E365 PolarHBondContact O-N 2.82Å; E365-E368 PolarHBondContact O-N 3.19Å; E365-A369 WeakPolarHBondContact O-CB 3.32Å; E365-A369 PolarHBondContact O-N 3.13Å
366	K	81.3	Confident	79.6	Confident	23 Å²	23	56.4 Å²	56.4	10%	0.1	28%	0.28	C	S	.	.	H	α-helix	trans	-67.1	-37.1	171.4	-66.8	-176.7	178.1	-175.8	0	112	F336 Y358 M361 N362 E363 Q364 L370	F336-K366 HydrophobicContact CB-CD 4.33Å; F336-K366 HydrophobicContact CD1-CB 4.07Å; F336-K366 HydrophobicContact CD1-CD 4.46Å; F336-K366 HydrophobicContact CD2-CB 4.04Å; F336-K366 HydrophobicContact CD2-CD 4.42Å; F336-K366 HydrophobicContact CE1-CB 3.79Å; F336-K366 HydrophobicContact CE2-CB 3.75Å; F336-K366 HydrophobicContact CG-CB 4.19Å; F336-K366 HydrophobicContact CG-CD 4.16Å; F336-K366 VanDerWaalsContact CZ-C 3.5Å; F336-K366 HydrophobicContact CZ-CB 3.62Å; Y358-K366 HydrophobicContact CD2-CD 4.36Å; Y358-K366 HydrophobicContact CE2-CD 3.73Å; Y358-K366 HydrophobicContact CE2-CG 4.08Å; Y358-K366 WeakPolarHBondContact O-CE 3.44Å; Y358-K366 PolarHBondContact O-NZ 2.57Å; M361-K366 HydrophobicContact CB-CG 3.89Å; M361-K366 HydrophobicContact CE-CG 4.45Å; M361-K366 VanDerWaalsContact O-CE 3.27Å; M361-K366 WeakPolarHBondContact O-CE 3.25Å; N362-K366 PolarHBondContact O-N 3.21Å; E363-K366 PolarHBondContact O-N 3.2Å; Q364-K366 VanDerWaalsContact C-N 3.34Å; K366-L370 WeakPolarHBondContact O-CB 3.41Å; K366-L370 PolarHBondContact O-N 2.72Å
367	E	81.4	Confident	80.1	Confident	30 Å²	30	53.7 Å²	53.7	14%	0.14	26%	0.257	C	S	.	.	H	α-helix	trans	-69	-35.7	170.4	-71.2	-170.1	-174.4	0	0	112.2	R78 K332 F336 E363 Q364 L370 E371	R78-E367 IonicContact CZ-OE1 2.62Å; R78-E367 IonicContact CZ-OE2 3.94Å; R78-E367 VanDerWaalsContact CZ-OE2 3.23Å; R78-E367 IonicContact NH1-OE1 3.15Å; R78-E367 PolarHBondContact NH1-OE1 3.14Å; R78-E367 IonicContact NH1-OE2 2.79Å; R78-E367 PolarHBondContact NH1-OE2 2.89Å; R78-E367 VanDerWaalsContact NH2-CD 3.3Å; R78-E367 IonicContact NH2-OE1 2.66Å; R78-E367 PolarHBondContact NH2-OE1 2.65Å; R78-E367 IonicContact NH2-OE2 2.66Å; R78-E367 PolarHBondContact NH2-OE2 2.8Å; K332-E367 IonicContact NZ-OE1 2.71Å; K332-E367 PolarHBondContact NZ-OE1 2.94Å; F336-E367 HydrophobicContact CE2-CG 3.74Å; F336-E367 HydrophobicContact CZ-CG 3.78Å; E363-E367 WeakPolarHBondContact O-CG 3.42Å; E363-E367 PolarHBondContact O-N 2.83Å; Q364-E367 CarbonylContact O-C 3.49Å; Q364-E367 PolarHBondContact O-N 2.84Å; E367-L370 WeakPolarHBondContact O-CB 3.46Å; E367-L370 PolarHBondContact O-N 2.66Å; E367-E371 WeakPolarHBondContact O-CG 3.45Å; E367-E371 PolarHBondContact O-N 3.29Å
368	E	80	Confident	80.4	Confident	63 Å²	63	51.3 Å²	51.3	29%	0.294	25%	0.245	S	C	.	.	H	α-helix	trans	-70.4	-43.5	177.7	-77.4	169.4	-125.9	0	0	113.2	R120 Q364 E365 L370 E371 E372	R120-E368 IonicContact CZ-OE1 3.93Å; R120-E368 IonicContact NH1-OE1 2.58Å; R120-E368 PolarHBondContact NH1-OE1 3.25Å; R120-E368 IonicContact NH1-OE2 3.32Å; R120-E368 IonicContact NH2-OE1 3.45Å; R120-E368 PolarHBondContact NH2-OE1 2.93Å; Q364-E368 WeakPolarHBondContact O-CG 3.37Å; Q364-E368 PolarHBondContact O-N 3.41Å; E365-E368 PolarHBondContact O-N 3.19Å; E368-L370 PolarHBondContact O-N 3.45Å; E368-E371 PolarHBondContact O-N 2.89Å; E368-E371 VanDerWaalsContact O-N 3.14Å; E368-E372 PolarHBondContact O-N 3.26Å
369	A	77.2	Confident	80.3	Confident	5 Å²	5	53.9 Å²	53.9	4%	0.041	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-27.6	173.7	0	0	0	0	0	112.2	F49 M361 E365 Y373	F49-A369 HydrophobicContact CD2-CB 3.81Å; F49-A369 HydrophobicContact CE2-CB 4.14Å; M361-A369 HydrophobicContact CE-CB 3.91Å; E365-A369 WeakPolarHBondContact O-CB 3.32Å; E365-A369 PolarHBondContact O-N 3.13Å; A369-Y373 WeakPolarHBondContact O-CB 3.28Å; A369-Y373 PolarHBondContact O-N 3.08Å
370	L	83	Confident	79.8	Confident	17 Å²	17	53.3 Å²	53.3	9%	0.089	25%	0.253	C	S	.	.	H	α-helix	trans	-72.1	-44.3	170.5	-173.2	67.1	0	0	0	111.9	L71 V75 Y334 K366 E367 E368 E372 Y373 I374	L71-L370 HydrophobicContact CD1-CD1 4.4Å; L71-L370 HydrophobicContact CD2-CD1 4.24Å; V75-L370 HydrophobicContact CG2-CD2 4.48Å; Y334-L370 HydrophobicContact CE2-CD2 4.28Å; K366-L370 WeakPolarHBondContact O-CB 3.41Å; K366-L370 PolarHBondContact O-N 2.72Å; E367-L370 WeakPolarHBondContact O-CB 3.46Å; E367-L370 PolarHBondContact O-N 2.66Å; E368-L370 PolarHBondContact O-N 3.45Å; L370-E372 VanDerWaalsContact C-N 3.32Å; L370-E372 PolarHBondContact O-N 3.29Å; L370-Y373 PolarHBondContact O-N 3.41Å; L370-I374 HydrophobicContact CG-CD1 4.37Å; L370-I374 VanDerWaalsContact O-CG1 3.3Å; L370-I374 WeakPolarHBondContact O-CG1 3.47Å; L370-I374 PolarHBondContact O-N 3.5Å
371	E	82.1	Confident	78.6	Confident	32 Å²	32	44.8 Å²	44.8	15%	0.15	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-41	174	-70.5	-167.1	-176	0	0	111.8	L113 R116 E367 E368 I374 I375	L113-E371 HydrophobicContact CD2-CB 4.15Å; L113-E371 HydrophobicContact CD2-CG 3.66Å; R116-E371 WeakPolarHBondContact CD-OE1 3.48Å; R116-E371 IonicContact CZ-OE1 2.84Å; R116-E371 IonicContact NE-OE1 2.7Å; R116-E371 IonicContact NH1-OE1 3.2Å; R116-E371 PolarHBondContact NH1-OE1 3.18Å; E367-E371 WeakPolarHBondContact O-CG 3.45Å; E367-E371 PolarHBondContact O-N 3.29Å; E368-E371 PolarHBondContact O-N 2.89Å; E368-E371 VanDerWaalsContact O-N 3.14Å; E371-I374 PolarHBondContact O-N 3.23Å; E371-I375 WeakPolarHBondContact O-CG1 3.49Å; E371-I375 PolarHBondContact O-N 3.29Å
372	E	79.8	Confident	77.4	Confident	54 Å²	54	48.4 Å²	48.4	25%	0.252	24%	0.242	S	C	.	.	H	α-helix	trans	-67.3	-40.5	176	-177.3	128	-117.1	0	0	112.6	F46 R117 E368 L370 I374 I375 K376	F46-E372 WeakPolarHBondContact CB-OE2 3.46Å; F46-E372 WeakPolarHBondContact CD2-OE2 3.48Å; F46-E372 WeakPolarHBondContact CG-OE2 3.25Å; R117-E372 IonicContact CZ-OE1 2.71Å; R117-E372 IonicContact NH1-OE1 2.74Å; R117-E372 PolarHBondContact NH1-OE1 2.67Å; R117-E372 IonicContact NH2-OE1 2.65Å; R117-E372 PolarHBondContact NH2-OE1 2.76Å; R117-E372 IonicContact NH2-OE2 2.76Å; R117-E372 PolarHBondContact NH2-OE2 2.88Å; R117-E372 VanDerWaalsContact NH2-OE2 3.15Å; E368-E372 PolarHBondContact O-N 3.26Å; L370-E372 VanDerWaalsContact C-N 3.32Å; L370-E372 PolarHBondContact O-N 3.29Å; E372-I374 VanDerWaalsContact C-N 3.31Å; E372-I374 PolarHBondContact O-N 2.99Å; E372-I375 PolarHBondContact O-N 3.35Å; E372-K376 PolarHBondContact O-N 3.03Å
373	Y	79.8	Confident	75.7	Confident	26 Å²	26	51.1 Å²	51.1	10%	0.102	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-39.8	173.7	179	-105.5	0	0	0	112.1	F49 L51 Y64 A369 L370 K376 L377	F49-Y373 HydrophobicContact CB-CD2 4.49Å; F49-Y373 HydrophobicContact CB-CG 4.29Å; F49-Y373 VanDerWaalsContact O-CD2 3.29Å; F49-Y373 WeakPolarHBondContact O-CD2 3.44Å; F49-Y373 WeakPolarHBondContact O-CE2 3.47Å; L51-Y373 HydrophobicContact CD1-CE1 3.56Å; L51-Y373 WeakPolarHBondContact CD1-OH 3.4Å; Y64-Y373 PolarHBondContact OH-OH 2.97Å; A369-Y373 WeakPolarHBondContact O-CB 3.28Å; A369-Y373 PolarHBondContact O-N 3.08Å; L370-Y373 PolarHBondContact O-N 3.41Å; Y373-K376 PolarHBondContact O-N 3.37Å; Y373-L377 HydrophobicContact CD1-CD1 4.06Å; Y373-L377 HydrophobicContact CD1-CG 4.42Å; Y373-L377 HydrophobicContact CE1-CD1 3.42Å; Y373-L377 VanDerWaalsContact CE1-CD1 3.42Å; Y373-L377 HydrophobicContact CE1-CD2 4.47Å; Y373-L377 HydrophobicContact CE1-CG 3.86Å; Y373-L377 HydrophobicContact CE2-CG 4.36Å; Y373-L377 PolarHBondContact O-N 2.87Å
374	I	82.5	Confident	74	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-65.8	-41.4	174.7	-63.7	168.1	0	0	0	111.1	L72 V75 A106 L109 L113 L370 E371 E372 K376 L377 A378	L72-I374 HydrophobicContact CD2-CB 4.42Å; L72-I374 HydrophobicContact CD2-CD1 3.85Å; L72-I374 HydrophobicContact CD2-CG1 3.71Å; L72-I374 HydrophobicContact CD2-CG2 3.88Å; V75-I374 HydrophobicContact CB-CD1 4.41Å; V75-I374 HydrophobicContact CG1-CD1 4Å; V75-I374 HydrophobicContact CG2-CD1 4.12Å; A106-I374 HydrophobicContact CB-CG2 4.06Å; L109-I374 HydrophobicContact CB-CG2 4.29Å; L109-I374 HydrophobicContact CD1-CG2 4.22Å; L113-I374 HydrophobicContact CD1-CB 3.97Å; L113-I374 HydrophobicContact CD1-CG2 3.68Å; L370-I374 HydrophobicContact CG-CD1 4.37Å; L370-I374 VanDerWaalsContact O-CG1 3.3Å; L370-I374 WeakPolarHBondContact O-CG1 3.47Å; L370-I374 PolarHBondContact O-N 3.5Å; E371-I374 PolarHBondContact O-N 3.23Å; E372-I374 VanDerWaalsContact C-N 3.31Å; E372-I374 PolarHBondContact O-N 2.99Å; I374-K376 VanDerWaalsContact C-N 3.28Å; I374-K376 PolarHBondContact O-N 2.99Å; I374-L377 PolarHBondContact O-N 3.22Å; I374-A378 PolarHBondContact O-N 2.96Å; I374-A378 VanDerWaalsContact O-N 3.17Å
375	I	82.6	Confident	72.3	Confident	35 Å²	35	54.3 Å²	54.3	18%	0.179	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-39.1	173.6	-68.5	165.7	0	0	0	110.9	L113 E371 E372 A378 S379	L113-I375 HydrophobicContact CB-CD1 4.09Å; L113-I375 HydrophobicContact CB-CG1 4.19Å; L113-I375 HydrophobicContact CD1-CG1 4.06Å; E371-I375 WeakPolarHBondContact O-CG1 3.49Å; E371-I375 PolarHBondContact O-N 3.29Å; E372-I375 PolarHBondContact O-N 3.35Å; I375-A378 PolarHBondContact O-N 2.95Å; I375-S379 PolarHBondContact O-N 3.49Å
376	K	80.3	Confident	70.1	Confident	65 Å²	65	58.6 Å²	58.6	28%	0.283	28%	0.276	S	S	.	.	H	α-helix	trans	-67.8	-43.5	176.7	-169.8	172.8	-177.4	-71.5	0	112.5	E372 Y373 I374 A378 S379 E380	E372-K376 PolarHBondContact O-N 3.03Å; Y373-K376 PolarHBondContact O-N 3.37Å; I374-K376 VanDerWaalsContact C-N 3.28Å; I374-K376 PolarHBondContact O-N 2.99Å; K376-A378 PolarHBondContact O-N 3.47Å; K376-S379 WeakPolarHBondContact O-CA 3.48Å; K376-S379 WeakPolarHBondContact O-CB 3.15Å; K376-S379 PolarHBondContact O-N 2.98Å; K376-S379 PolarHBondContact O-OG 2.84Å; K376-E380 IonicContact NZ-OE1 2.69Å; K376-E380 PolarHBondContact NZ-OE1 3.39Å; K376-E380 PolarHBondContact O-N 2.95Å; K376-E380 VanDerWaalsContact O-N 3.14Å
377	L	79.7	Confident	67.6	Low	10 Å²	10	68.8 Å²	68.8	5%	0.052	31%	0.313	C	S	.	.	H	α-helix	trans	-56.1	-36.3	174.1	-81.1	178.1	0	0	0	113	V102 S103 A106 Y373 I374 S379	V102-L377 HydrophobicContact CG1-CD1 4.33Å; S103-L377 WeakPolarHBondContact CB-O 3.1Å; A106-L377 HydrophobicContact CB-CB 3.91Å; Y373-L377 HydrophobicContact CD1-CD1 4.06Å; Y373-L377 HydrophobicContact CD1-CG 4.42Å; Y373-L377 HydrophobicContact CE1-CD1 3.42Å; Y373-L377 VanDerWaalsContact CE1-CD1 3.42Å; Y373-L377 HydrophobicContact CE1-CD2 4.47Å; Y373-L377 HydrophobicContact CE1-CG 3.86Å; Y373-L377 HydrophobicContact CE2-CG 4.36Å; Y373-L377 PolarHBondContact O-N 2.87Å; I374-L377 PolarHBondContact O-N 3.22Å; L377-S379 VanDerWaalsContact C-N 3.33Å
378	A	80.1	Confident	65.3	Low	8 Å²	8	73.2 Å²	73.2	7%	0.066	34%	0.338	C	S	.	.	H	α-helix	trans	-71.4	-25.6	175.1	0	0	0	0	0	113.6	A106 K107 T110 I374 I375 K376 S381	A106-A378 HydrophobicContact CB-CB 3.9Å; K107-A378 HydrophobicContact CG-CB 4.32Å; T110-A378 HydrophobicContact CG2-CB 3.24Å; I374-A378 PolarHBondContact O-N 2.96Å; I374-A378 VanDerWaalsContact O-N 3.17Å; I375-A378 PolarHBondContact O-N 2.95Å; K376-A378 PolarHBondContact O-N 3.47Å; A378-S381 PolarHBondContact O-OG 3.29Å
379	S	73	Confident	63.3	Low	63 Å²	63	74.3 Å²	74.3	44%	0.441	35%	0.349	S	S	.	.	H	α-helix	trans	-76.7	-35.1	174.9	72.6	0	0	0	0	112.6	I375 K376 L377 S381 N382	I375-S379 PolarHBondContact O-N 3.49Å; K376-S379 WeakPolarHBondContact O-CA 3.48Å; K376-S379 WeakPolarHBondContact O-CB 3.15Å; K376-S379 PolarHBondContact O-N 2.98Å; K376-S379 PolarHBondContact O-OG 2.84Å; L377-S379 VanDerWaalsContact C-N 3.33Å; S379-S381 VanDerWaalsContact C-N 3.28Å; S379-S381 PolarHBondContact O-N 3.01Å; S379-N382 WeakPolarHBondContact O-CB 3.41Å; S379-N382 PolarHBondContact O-N 3.06Å
380	E	67.7	Low	61.5	Low	66 Å²	66	79.6 Å²	79.6	31%	0.308	37%	0.373	S	S	.	.	H	α-helix	trans	-66.6	-25	-177.5	-71.6	173.6	-164.1	0	0	113.7	K376 N382 E383	K376-E380 IonicContact NZ-OE1 2.69Å; K376-E380 PolarHBondContact NZ-OE1 3.39Å; K376-E380 PolarHBondContact O-N 2.95Å; K376-E380 VanDerWaalsContact O-N 3.14Å; E380-N382 VanDerWaalsContact C-N 3.35Å; E380-E383 PolarHBondContact O-N 3.38Å
381	S	57	Low	59.4	Low	5 Å²	5	82.9 Å²	82.9	4%	0.035	39%	0.394	C	S	.	.	H	α-helix	trans	-61.7	-39.5	169.6	18.4	0	0	0	0	113	K107 A378 S379 E383 R384 E385	K107-S381 VanDerWaalsContact CE-CB 3.48Å; K107-S381 VanDerWaalsContact CE-OG 3.28Å; K107-S381 WeakPolarHBondContact CE-OG 3.34Å; A378-S381 PolarHBondContact O-OG 3.29Å; S379-S381 VanDerWaalsContact C-N 3.28Å; S379-S381 PolarHBondContact O-N 3.01Å; S381-E383 PolarHBondContact O-N 3.28Å; S381-R384 PolarHBondContact O-N 3.12Å; S381-E385 PolarHBondContact O-N 3.32Å
382	N	52.3	Low	57.8	Low	100 Å²	100	84 Å²	84	54%	0.535	41%	0.413	S	S	.	.	H	α-helix	trans	-69.2	-18.8	-176.2	-67.9	-7.6	0	0	0	112.8	S379 E380	S379-N382 WeakPolarHBondContact O-CB 3.41Å; S379-N382 PolarHBondContact O-N 3.06Å; E380-N382 VanDerWaalsContact C-N 3.35Å
383	E	49.3	Very low	56.3	Low	161 Å²	161	86.7 Å²	86.7	75%	0.752	43%	0.429	S	S	*	.	H	α-helix	trans	-85.6	-20.9	171.9	-60.2	-155.9	131	0	0	112.9	E380 S381	E380-E383 PolarHBondContact O-N 3.38Å; S381-E383 PolarHBondContact O-N 3.28Å
384	R	45.3	Very low	54.9	Low	181 Å²	181	87.6 Å²	87.6	68%	0.683	44%	0.443	S	S	*	.	H	α-helix	trans	-97.3	-22.8	-179.4	-68.6	-176.4	174.2	177.6	-0.2	114.4	S381 N388	S381-R384 PolarHBondContact O-N 3.12Å; R384-N388 PolarHBondContact O-ND2 3.31Å
385	E	42.8	Very low	53.5	Low	119 Å²	119	89.6 Å²	89.6	56%	0.556	46%	0.455	S	S	*	.			trans	-86.6	2.8	177.9	-75.3	179.2	120.4	0	0	115	K107 S381 R387	K107-E385 IonicContact NZ-OE1 3.59Å; K107-E385 IonicContact NZ-OE2 2.63Å; K107-E385 PolarHBondContact NZ-OE2 2.96Å; S381-E385 PolarHBondContact O-N 3.32Å; E385-R387 PolarHBondContact O-N 3.13Å
386	K	35.1	Very low	51.8	Low	166 Å²	166	92.9 Å²	92.9	72%	0.722	47%	0.472	S	S	*	.	S	Bend	trans	-70.3	77.6	171.3	-78.1	-177	178.7	173.4	0	111.9	N388	K386-N388 PolarHBondContact O-N 3.43Å
387	R	28.5	Very low	50.2	Low	237 Å²	237	95.9 Å²	95.9	89%	0.894	49%	0.491	S	S	*	.			trans	48.4	47.3	164.4	-68.4	-174.8	173.1	172.4	-2.6	116.2	E385 V389	E385-R387 PolarHBondContact O-N 3.13Å; R387-V389 VanDerWaalsContact C-N 3.32Å; R387-V389 PolarHBondContact O-N 3.14Å
388	N	32.6	Very low	48.8	Very low	124 Å²	124	101.6 Å²	101.6	66%	0.663	51%	0.511	S	S	*	.			trans	-76.6	85.8	161.6	-71	-49.1	0	0	0	110.2	R384 K386 Q390	R384-N388 PolarHBondContact O-ND2 3.31Å; K386-N388 PolarHBondContact O-N 3.43Å; N388-Q390 PolarHBondContact O-N 3.12Å
389	V	38.3	Very low	47.2	Very low	86 Å²	86	104.5 Å²	104.5	52%	0.521	54%	0.535	S	S	.	.			trans	-53.6	129.7	144.8	179.6	0	0	0	0	105.5	R387 V391 I411	R387-V389 VanDerWaalsContact C-N 3.32Å; R387-V389 PolarHBondContact O-N 3.14Å; V389-V391 HydrophobicContact CB-CG2 4.11Å; V389-V391 HydrophobicContact CG1-CG2 3.81Å; V389-V391 PolarHBondContact O-N 3.45Å; V389-I411 HydrophobicContact CG1-CB 4.18Å; V389-I411 HydrophobicContact CG1-CG2 4.09Å
390	Q	39.5	Very low	46.3	Very low	115 Å²	115	103.4 Å²	103.4	54%	0.537	52%	0.523	S	S	.	.			trans	-78.1	59	-174.9	-68.9	-163.1	-13.1	0	0	112.3	N388 G392	N388-Q390 PolarHBondContact O-N 3.12Å; Q390-G392 PolarHBondContact O-N 3.35Å
391	V	38.8	Very low	45.3	Very low	87 Å²	87	103.2 Å²	103.2	53%	0.527	52%	0.523	S	S	.	.			trans	-64.8	116.3	172.4	-177.5	0	0	0	0	109.4	V389 N393 L412	V389-V391 HydrophobicContact CB-CG2 4.11Å; V389-V391 HydrophobicContact CG1-CG2 3.81Å; V389-V391 PolarHBondContact O-N 3.45Å; V391-N393 PolarHBondContact O-N 3.21Å; V391-L412 HydrophobicContact CB-CB 4.22Å; V391-L412 HydrophobicContact CB-CD1 4.43Å; V391-L412 HydrophobicContact CG1-CB 4.13Å; V391-L412 HydrophobicContact CG1-CD1 4.04Å; V391-L412 HydrophobicContact CG1-CG 4.47Å; V391-L412 HydrophobicContact CG2-CB 4.14Å; V391-L412 HydrophobicContact CG2-CD1 3.78Å
392	G	47.8	Very low	44.8	Very low	55 Å²	55	107.2 Å²	107.2	57%	0.567	55%	0.551	S	S	*	*	S	Bend	trans	85.4	-11.4	170.5	0	0	0	0	0	116.6	Q390 A394 L412	Q390-G392 PolarHBondContact O-N 3.35Å; G392-A394 PolarHBondContact O-N 3.01Å; G392-L412 PolarHBondContact N-O 3.21Å
393	N	48.5	Very low	44.8	Very low	110 Å²	110	106.2 Å²	106.2	59%	0.588	55%	0.549	S	S	*	.			trans	-87.9	109.7	178.7	-76.8	-14.1	0	0	0	110.9	V391 V395	V391-N393 PolarHBondContact O-N 3.21Å; N393-V395 PolarHBondContact O-N 3.21Å
394	A	51.2	Low	45	Very low	46 Å²	46	102 Å²	102	38%	0.38	54%	0.538	S	S	.	.			trans	-63.8	125.6	177.6	0	0	0	0	0	112.1	G392 L396 P414 I416	G392-A394 PolarHBondContact O-N 3.01Å; A394-L396 VanDerWaalsContact C-N 3.31Å; A394-L396 PolarHBondContact O-N 2.85Å; A394-P414 CarbonylContact C-O 3.52Å; A394-P414 WeakPolarHBondContact CA-O 3.14Å; A394-P414 HydrophobicContact CB-CB 3.96Å; A394-P414 HydrophobicContact CB-CG 4.14Å; A394-I416 HydrophobicContact CB-CD1 4.03Å
395	V	54	Low	45.8	Very low	43 Å²	43	94.6 Å²	94.6	26%	0.261	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	82.8	173.6	-174.8	0	0	0	0	108.4	N393 P414 I416	N393-V395 PolarHBondContact O-N 3.21Å; V395-P414 PolarHBondContact N-O 3.18Å; V395-I416 PolarHBondContact O-N 3.16Å
396	L	46.8	Very low	46.6	Very low	104 Å²	104	92.6 Å²	92.6	55%	0.545	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	131.8	169.7	-83.1	159.4	0	0	0	110.7	A394 I416 L417	A394-L396 VanDerWaalsContact C-N 3.31Å; A394-L396 PolarHBondContact O-N 2.85Å; L396-I416 WeakPolarHBondContact CA-O 3.48Å; L396-I416 HydrophobicContact CD2-CB 3.68Å; L396-I416 HydrophobicContact CD2-CG2 3.6Å; L396-I416 HydrophobicContact CG-CB 4.2Å; L396-L417 HydrophobicContact CD2-CD1 4.41Å
397	L	45.8	Very low	47.8	Very low	128 Å²	128	89.6 Å²	89.6	67%	0.67	50%	0.5	S	S	*	.			trans	58.5	73.3	165.7	-62.5	168.3	0	0	0	115.8	I416 L417	L397-I416 PolarHBondContact N-O 3.25Å; L397-L417 HydrophobicContact CD2-CB 3.87Å; L397-L417 HydrophobicContact CG-CB 4.5Å
398	R	51.1	Low	49.5	Very low	129 Å²	129	82.9 Å²	82.9	49%	0.487	48%	0.479	S	S	.	.			trans	-115.9	113.2	148.8	-72	-171.3	-175.1	179.6	6.4	109.4	F400 S418	R398-F400 HydrophobicContact CB-CD2 3.99Å; R398-F400 HydrophobicContact CB-CE2 3.52Å; R398-F400 HydrophobicContact CB-CZ 3.91Å; R398-F400 VanDerWaalsContact CD-CZ 3.41Å; R398-F400 HydrophobicContact CG-CE2 4.37Å; R398-F400 HydrophobicContact CG-CZ 4.34Å; R398-F400 PolarHBondContact O-N 3.47Å; R398-S418 WeakPolarHBondContact O-CA 3.48Å
399	A	45.5	Very low	51	Low	69 Å²	69	81 Å²	81	57%	0.57	47%	0.473	S	S	*	.			trans	-84.1	107.4	166.9	0	0	0	0	0	109.2	I401 P419	A399-I401 PolarHBondContact O-N 2.77Å; A399-P419 HydrophobicContact CB-CG 3.8Å
400	F	53.9	Low	52.3	Low	40 Å²	40	78.8 Å²	78.8	18%	0.175	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	87.2	179.2	-70.4	-81.4	0	0	0	109.6	R398 T405 P419 L420 F421	R398-F400 HydrophobicContact CB-CD2 3.99Å; R398-F400 HydrophobicContact CB-CE2 3.52Å; R398-F400 HydrophobicContact CB-CZ 3.91Å; R398-F400 VanDerWaalsContact CD-CZ 3.41Å; R398-F400 HydrophobicContact CG-CE2 4.37Å; R398-F400 HydrophobicContact CG-CZ 4.34Å; R398-F400 PolarHBondContact O-N 3.47Å; F400-T405 HydrophobicContact CD1-CG2 4.38Å; F400-T405 HydrophobicContact CE1-CG2 4.14Å; F400-P419 PolarHBondContact N-O 3.14Å; F400-L420 HydrophobicContact CB-CG 4.43Å; F400-F421 PolarHBondContact O-N 3.46Å
401	I	47.6	Very low	53.5	Low	63 Å²	63	76.5 Å²	76.5	32%	0.323	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	113.8	173.3	-55.9	176.8	0	0	0	108.3	A399 T403	A399-I401 PolarHBondContact O-N 2.77Å; I401-T403 VanDerWaalsContact C-N 3.31Å; I401-T403 PolarHBondContact O-N 3.28Å; I401-T403 VanDerWaalsContact O-N 3.13Å
402	S	45.5	Very low	54.7	Low	89 Å²	89	75.5 Å²	75.5	62%	0.622	44%	0.444	S	S	*	.	S	Bend	trans	64.6	3.3	170.3	67.8	0	0	0	0	119.5	F421	S402-F421 PolarHBondContact N-O 2.89Å
403	T	52.8	Low	55.4	Low	78 Å²	78	73.2 Å²	73.2	48%	0.479	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-92.6	118.6	173.1	56.7	0	0	0	0	112.1	I401 T405 S423	I401-T403 VanDerWaalsContact C-N 3.31Å; I401-T403 PolarHBondContact O-N 3.28Å; I401-T403 VanDerWaalsContact O-N 3.13Å; T403-T405 PolarHBondContact O-N 2.78Å; T403-S423 VanDerWaalsContact O-CB 3.25Å; T403-S423 WeakPolarHBondContact O-CB 3.25Å
404	S	54.7	Low	56.3	Low	74 Å²	74	69.4 Å²	69.4	52%	0.517	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-66.6	121.6	169.8	54.1	0	0	0	0	111.6	P424	S404-P424 WeakPolarHBondContact CA-O 3.48Å
405	T	60.2	Low	57	Low	25 Å²	25	68.5 Å²	68.5	15%	0.153	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.4	173.3	48.4	0	0	0	0	109.3	F400 T403 P424 V426	F400-T405 HydrophobicContact CD1-CG2 4.38Å; F400-T405 HydrophobicContact CE1-CG2 4.14Å; T403-T405 PolarHBondContact O-N 2.78Å; T405-P424 PolarHBondContact N-O 2.94Å; T405-V426 PolarHBondContact O-N 3.24Å
406	V	59.8	Low	57.7	Low	77 Å²	77	68.4 Å²	68.4	47%	0.467	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.4	179.8	-174.2	0	0	0	0	108.5	E408 V426	V406-E408 PolarHBondContact O-N 2.86Å; V406-V426 WeakPolarHBondContact CA-O 3.2Å; V406-V426 HydrophobicContact CG2-CB 4.5Å
407	N	61.5	Low	58.7	Low	103 Å²	103	67.1 Å²	67.1	55%	0.551	38%	0.381	S	S	*	.	S	Bend	trans	59.6	28.7	174.9	-56.2	-12.8	0	0	0	116.4	P409 V426 L427	N407-P409 WeakPolarHBondContact O-CD 3.39Å; N407-V426 PolarHBondContact N-O 2.79Å; N407-L427 WeakPolarHBondContact OD1-CB 3.29Å
408	E	64.4	Low	59.9	Low	96 Å²	96	61.1 Å²	61.1	45%	0.449	35%	0.35	S	S	.	.			trans	-95.9	99.1	169.7	-68.7	-160.4	164.3	0	0	111.2	V406 S410 S428	V406-E408 PolarHBondContact O-N 2.86Å; E408-S410 PolarHBondContact O-N 3.04Å; E408-S428 VanDerWaalsContact O-CB 3.28Å; E408-S428 WeakPolarHBondContact O-CB 3.42Å
409	P	64.3	Low	61.1	Low	83 Å²	83	56.3 Å²	56.3	54%	0.539	34%	0.335	S	S	.	.			trans	-73.3	125.5	177.1	30.5	-35.8	0	0	0	111.3	N407 P429	N407-P409 WeakPolarHBondContact O-CD 3.39Å; P409-P429 WeakPolarHBondContact CA-O 3.21Å; P409-P429 HydrophobicContact CB-CG 3.73Å
410	S	64.7	Low	62.4	Low	40 Å²	40	54.6 Å²	54.6	28%	0.28	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	110.5	179.5	-64	0	0	0	0	110.4	E408 P429 L431 S433	E408-S410 PolarHBondContact O-N 3.04Å; S410-P429 PolarHBondContact N-O 3.38Å; S410-L431 PolarHBondContact O-N 3.49Å; S410-S433 PolarHBondContact O-OG 3.03Å
411	I	64.8	Low	63.4	Low	68 Å²	68	57.2 Å²	57.2	35%	0.349	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.1	-174.4	-57.5	176.9	0	0	0	110	V389 G413 L431	V389-I411 HydrophobicContact CG1-CB 4.18Å; V389-I411 HydrophobicContact CG1-CG2 4.09Å; I411-G413 PolarHBondContact O-N 3.34Å; I411-L431 CarbonylContact C-O 3.56Å; I411-L431 WeakPolarHBondContact CA-O 3.21Å; I411-L431 HydrophobicContact CG1-CB 4.29Å; I411-L431 HydrophobicContact CG2-CD2 4.14Å
412	L	63.1	Low	64.6	Low	66 Å²	66	57.9 Å²	57.9	35%	0.346	34%	0.338	S	S	.	.	S	Bend	trans	61	20	170.1	-77.6	155.9	0	0	0	116.3	V391 G392 L431 L432	V391-L412 HydrophobicContact CB-CB 4.22Å; V391-L412 HydrophobicContact CB-CD1 4.43Å; V391-L412 HydrophobicContact CG1-CB 4.13Å; V391-L412 HydrophobicContact CG1-CD1 4.04Å; V391-L412 HydrophobicContact CG1-CG 4.47Å; V391-L412 HydrophobicContact CG2-CB 4.14Å; V391-L412 HydrophobicContact CG2-CD1 3.78Å; G392-L412 PolarHBondContact N-O 3.21Å; L412-L431 PolarHBondContact N-O 3.43Å; L412-L432 WeakPolarHBondContact CA-O 3.4Å; L412-L432 HydrophobicContact CD2-CB 3.81Å; L412-L432 HydrophobicContact CD2-CD1 3.73Å; L412-L432 HydrophobicContact CD2-CG 4.3Å; L412-L432 HydrophobicContact CG-CB 3.98Å; L412-L432 HydrophobicContact CG-CD1 4Å
413	G	62.6	Low	66	Low	7 Å²	7	53.7 Å²	53.7	7%	0.072	31%	0.308	C	S	.	.			trans	-118	122.8	177.6	0	0	0	0	0	112.6	I411 L415 S433	I411-G413 PolarHBondContact O-N 3.34Å; G413-L415 PolarHBondContact O-N 3.18Å; G413-S433 WeakPolarHBondContact O-CA 3.5Å; G413-S433 VanDerWaalsContact O-CB 3.31Å; G413-S433 WeakPolarHBondContact O-CB 3.4Å
414	P	67.8	Low	67.1	Low	30 Å²	30	52.6 Å²	52.6	20%	0.195	30%	0.303	C	S	.	.			trans	-58.4	131	167.4	-25	33.3	0	0	0	112.2	A394 V395 I416 P434	A394-P414 CarbonylContact C-O 3.52Å; A394-P414 WeakPolarHBondContact CA-O 3.14Å; A394-P414 HydrophobicContact CB-CB 3.96Å; A394-P414 HydrophobicContact CB-CG 4.14Å; V395-P414 PolarHBondContact N-O 3.18Å; P414-I416 HydrophobicContact CB-CD1 4.02Å; P414-I416 HydrophobicContact CB-CG1 3.95Å; P414-P434 CarbonylContact C-O 3.59Å; P414-P434 VanDerWaalsContact CA-O 3.3Å; P414-P434 WeakPolarHBondContact CA-O 3.37Å; P414-P434 HydrophobicContact CB-CG 3.82Å; P414-P434 HydrophobicContact CG-CG 3.82Å
415	L	65.9	Low	68.3	Low	26 Å²	26	49.5 Å²	49.5	14%	0.136	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	112.6	167.6	-75	86.8	0	0	0	108	G413 P434 S435 I436	G413-L415 PolarHBondContact O-N 3.18Å; L415-P434 PolarHBondContact N-O 3.32Å; L415-S435 CarbonylContact O-C 3.51Å; L415-S435 WeakPolarHBondContact O-CA 3.27Å; L415-I436 PolarHBondContact O-N 3.14Å
416	I	68.8	Low	69.2	Low	42 Å²	42	50.2 Å²	50.2	22%	0.215	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.1	-175.9	-50.3	-177	0	0	0	109.5	A394 V395 L396 L397 P414 S418 I436	A394-I416 HydrophobicContact CB-CD1 4.03Å; V395-I416 PolarHBondContact O-N 3.16Å; L396-I416 WeakPolarHBondContact CA-O 3.48Å; L396-I416 HydrophobicContact CD2-CB 3.68Å; L396-I416 HydrophobicContact CD2-CG2 3.6Å; L396-I416 HydrophobicContact CG-CB 4.2Å; L397-I416 PolarHBondContact N-O 3.25Å; P414-I416 HydrophobicContact CB-CD1 4.02Å; P414-I416 HydrophobicContact CB-CG1 3.95Å; I416-S418 PolarHBondContact O-N 3.18Å; I416-I436 WeakPolarHBondContact CA-O 3.48Å; I416-I436 HydrophobicContact CG1-CB 4.31Å; I416-I436 HydrophobicContact CG2-CB 4.49Å
417	L	69	Low	70.1	Confident	77 Å²	77	50.5 Å²	50.5	40%	0.403	28%	0.284	S	S	.	.	S	Bend	trans	56.1	46.1	-178.8	-63.5	162.3	0	0	0	113	L396 L397 P419 I436 V437	L396-L417 HydrophobicContact CD2-CD1 4.41Å; L397-L417 HydrophobicContact CD2-CB 3.87Å; L397-L417 HydrophobicContact CG-CB 4.5Å; L417-P419 WeakPolarHBondContact O-CD 3.16Å; L417-I436 PolarHBondContact N-O 3.09Å; L417-V437 WeakPolarHBondContact CA-O 3.39Å; L417-V437 HydrophobicContact CD2-CB 3.88Å; L417-V437 HydrophobicContact CD2-CG1 3.74Å
418	S	69.9	Low	70.8	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.014	26%	0.259	C	S	.	.			trans	-103.6	93.8	173	61.8	0	0	0	0	111	R398 I416 S438	R398-S418 WeakPolarHBondContact O-CA 3.48Å; I416-S418 PolarHBondContact O-N 3.18Å; S418-S438 WeakPolarHBondContact O-CA 3.19Å; S418-S438 VanDerWaalsContact O-CB 3.3Å; S418-S438 WeakPolarHBondContact O-CB 3.4Å
419	P	75.8	Confident	71.6	Confident	28 Å²	28	43.9 Å²	43.9	18%	0.182	26%	0.255	C	S	.	.			trans	-76.3	134.3	172.7	30	-33.2	0	0	0	111.2	A399 F400 L417 F421 P439	A399-P419 HydrophobicContact CB-CG 3.8Å; F400-P419 PolarHBondContact N-O 3.14Å; L417-P419 WeakPolarHBondContact O-CD 3.16Å; P419-F421 HydrophobicContact CB-CD2 4.21Å; P419-F421 HydrophobicContact CB-CE2 3.83Å; P419-P439 VanDerWaalsContact CA-O 3.29Å; P419-P439 WeakPolarHBondContact CA-O 3.42Å; P419-P439 HydrophobicContact CB-CG 3.85Å
420	L	72.4	Confident	72.3	Confident	33 Å²	33	41.4 Å²	41.4	17%	0.173	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.7	173.9	-72	91.3	0	0	0	110.1	F400 V425 P439 A440 F441	F400-L420 HydrophobicContact CB-CG 4.43Å; L420-V425 HydrophobicContact CD2-CG2 3.71Å; L420-P439 PolarHBondContact N-O 3.46Å; L420-A440 CarbonylContact O-C 3.58Å; L420-A440 WeakPolarHBondContact O-CA 3.45Å; L420-F441 PolarHBondContact O-N 2.9Å
421	F	76.3	Confident	72.9	Confident	94 Å²	94	42.4 Å²	42.4	41%	0.412	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	114.7	179.7	-75.8	-79.4	0	0	0	111.5	F400 S402 P419 S423 F441	F400-F421 PolarHBondContact O-N 3.46Å; S402-F421 PolarHBondContact N-O 2.89Å; P419-F421 HydrophobicContact CB-CD2 4.21Å; P419-F421 HydrophobicContact CB-CE2 3.83Å; F421-S423 PolarHBondContact O-N 2.93Å; F421-F441 WeakPolarHBondContact CA-O 3.44Å; F421-F441 HydrophobicContact CD1-CB 3.67Å; F421-F441 HydrophobicContact CD1-CD1 4.25Å; F421-F441 HydrophobicContact CD1-CG 4.2Å; F421-F441 HydrophobicContact CE1-CB 3.84Å; F421-F441 HydrophobicContact CE1-CG 4.39Å
422	S	73.3	Confident	73.6	Confident	77 Å²	77	42.4 Å²	42.4	54%	0.538	24%	0.238	S	C	.	.	S	Bend	trans	56.9	28.2	177.6	-167.7	0	0	0	0	114.4	F441 A442	S422-F441 PolarHBondContact N-O 3.5Å; S422-A442 WeakPolarHBondContact CA-O 3.18Å
423	S	73.4	Confident	74.1	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.007	22%	0.222	C	C	.	.			trans	-110.9	104.8	-178.1	53.3	0	0	0	0	110.3	T403 F421 S443	T403-S423 VanDerWaalsContact O-CB 3.25Å; T403-S423 WeakPolarHBondContact O-CB 3.25Å; F421-S423 PolarHBondContact O-N 2.93Å; S423-S443 WeakPolarHBondContact O-CA 3.05Å; S423-S443 WeakPolarHBondContact O-CB 3.46Å
424	P	77.4	Confident	75	Confident	55 Å²	55	40.5 Å²	40.5	36%	0.357	23%	0.228	S	C	.	.			trans	-68.1	140.7	170.5	29.1	-33.3	0	0	0	110.1	S404 T405	S404-P424 WeakPolarHBondContact CA-O 3.48Å; T405-P424 PolarHBondContact N-O 2.94Å
425	V	78.8	Confident	75.5	Confident	9 Å²	9	39.4 Å²	39.4	6%	0.055	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	114.1	-175.9	175.9	0	0	0	0	107.4	L420 S428 A444 L445 V446	L420-V425 HydrophobicContact CD2-CG2 3.71Å; V425-S428 WeakPolarHBondContact CG1-OG 3.37Å; V425-A444 PolarHBondContact N-O 3.38Å; V425-L445 HydrophobicContact CB-CG 4.3Å; V425-V446 PolarHBondContact O-N 3.41Å
426	V	79.3	Confident	76.3	Confident	41 Å²	41	40.8 Å²	40.8	25%	0.248	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.1	-168.4	-174.1	0	0	0	0	110.7	T405 V406 N407 S428 V446	T405-V426 PolarHBondContact O-N 3.24Å; V406-V426 WeakPolarHBondContact CA-O 3.2Å; V406-V426 HydrophobicContact CG2-CB 4.5Å; N407-V426 PolarHBondContact N-O 2.79Å; V426-S428 PolarHBondContact O-N 3.13Å; V426-S428 VanDerWaalsContact O-N 3.12Å; V426-V446 WeakPolarHBondContact CA-O 3.39Å; V426-V446 HydrophobicContact CG2-CB 4.46Å
427	L	79.4	Confident	77	Confident	83 Å²	83	41.3 Å²	41.3	44%	0.435	23%	0.233	S	C	.	.	S	Bend	trans	56.2	27.1	174.8	-67.7	164.3	0	0	0	114.9	N407 P429 V446 L447	N407-L427 WeakPolarHBondContact OD1-CB 3.29Å; L427-P429 VanDerWaalsContact O-CD 3.25Å; L427-P429 WeakPolarHBondContact O-CD 3.43Å; L427-V446 PolarHBondContact N-O 3.23Å; L427-V446 VanDerWaalsContact N-O 3.09Å; L427-L447 HydrophobicContact CD2-CB 3.73Å; L427-L447 HydrophobicContact CD2-CD1 4.22Å; L427-L447 HydrophobicContact CG-CB 4.26Å
428	S	76.2	Confident	77.5	Confident	6 Å²	6	38.2 Å²	38.2	4%	0.042	22%	0.218	C	C	.	.			trans	-99.8	100	174	59.6	0	0	0	0	110.9	E408 V425 V426 S448	E408-S428 VanDerWaalsContact O-CB 3.28Å; E408-S428 WeakPolarHBondContact O-CB 3.42Å; V425-S428 WeakPolarHBondContact CG1-OG 3.37Å; V426-S428 PolarHBondContact O-N 3.13Å; V426-S428 VanDerWaalsContact O-N 3.12Å; S428-S448 VanDerWaalsContact O-CB 3.3Å; S428-S448 WeakPolarHBondContact O-CB 3.46Å
429	P	79.9	Confident	78.2	Confident	54 Å²	54	40.2 Å²	40.2	35%	0.351	23%	0.231	S	C	.	.			trans	-70	137.2	172.9	30.6	-35.6	0	0	0	110.4	P409 S410 L427 P449	P409-P429 WeakPolarHBondContact CA-O 3.21Å; P409-P429 HydrophobicContact CB-CG 3.73Å; S410-P429 PolarHBondContact N-O 3.38Å; L427-P429 VanDerWaalsContact O-CD 3.25Å; L427-P429 WeakPolarHBondContact O-CD 3.43Å; P429-P449 HydrophobicContact CB-CG 3.67Å
430	Q	78.8	Confident	78.6	Confident	31 Å²	31	39.4 Å²	39.4	15%	0.145	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119	178	-67.2	-170.1	-19.8	0	0	109.9	P449 L450 L451	Q430-P449 PolarHBondContact N-O 3.26Å; Q430-L450 HydrophobicContact CB-CD1 4.22Å; Q430-L450 HydrophobicContact CB-CG 4.15Å; Q430-L450 HydrophobicContact CG-CD1 4.34Å; Q430-L451 PolarHBondContact O-N 2.84Å
431	L	79	Confident	79.1	Confident	60 Å²	60	42 Å²	42	31%	0.314	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.8	-179.2	-179.4	61.9	0	0	0	109.8	S410 I411 L412 S433 L451	S410-L431 PolarHBondContact O-N 3.49Å; I411-L431 CarbonylContact C-O 3.56Å; I411-L431 WeakPolarHBondContact CA-O 3.21Å; I411-L431 HydrophobicContact CG1-CB 4.29Å; I411-L431 HydrophobicContact CG2-CD2 4.14Å; L412-L431 PolarHBondContact N-O 3.43Å; L431-S433 PolarHBondContact N-OG 3.09Å; L431-S433 PolarHBondContact O-N 3.29Å; L431-S433 VanDerWaalsContact O-N 3.15Å; L431-S433 PolarHBondContact O-OG 3.03Å; L431-S433 VanDerWaalsContact O-OG 3.09Å; L431-L451 CarbonylContact C-O 3.48Å; L431-L451 WeakPolarHBondContact CA-O 3.04Å; L431-L451 HydrophobicContact CD1-CB 4.06Å; L431-L451 HydrophobicContact CD1-CD2 3.37Å; L431-L451 HydrophobicContact CD1-CG 4.28Å
432	L	77.7	Confident	79.4	Confident	69 Å²	69	39 Å²	39	36%	0.361	23%	0.229	S	C	.	.	S	Bend	trans	52.1	39.4	174.1	-69	157.1	0	0	0	113.2	L412 P434 L451 L452	L412-L432 WeakPolarHBondContact CA-O 3.4Å; L412-L432 HydrophobicContact CD2-CB 3.81Å; L412-L432 HydrophobicContact CD2-CD1 3.73Å; L412-L432 HydrophobicContact CD2-CG 4.3Å; L412-L432 HydrophobicContact CG-CB 3.98Å; L412-L432 HydrophobicContact CG-CD1 4Å; L432-P434 VanDerWaalsContact O-CD 3.3Å; L432-P434 WeakPolarHBondContact O-CD 3.45Å; L432-L451 PolarHBondContact N-O 3.41Å; L432-L452 VanDerWaalsContact CA-O 3.32Å; L432-L452 WeakPolarHBondContact CA-O 3.3Å; L432-L452 HydrophobicContact CD2-CB 3.71Å; L432-L452 HydrophobicContact CD2-CD2 3.84Å; L432-L452 HydrophobicContact CD2-CG 4.29Å; L432-L452 HydrophobicContact CG-CB 4.15Å
433	S	74.8	Confident	79.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.204	C	C	.	.			trans	-118	81.8	-171.3	13	0	0	0	0	110.8	S410 G413 L431 S435 S453	S410-S433 PolarHBondContact O-OG 3.03Å; G413-S433 WeakPolarHBondContact O-CA 3.5Å; G413-S433 VanDerWaalsContact O-CB 3.31Å; G413-S433 WeakPolarHBondContact O-CB 3.4Å; L431-S433 PolarHBondContact N-OG 3.09Å; L431-S433 PolarHBondContact O-N 3.29Å; L431-S433 VanDerWaalsContact O-N 3.15Å; L431-S433 PolarHBondContact O-OG 3.03Å; L431-S433 VanDerWaalsContact O-OG 3.09Å; S433-S435 PolarHBondContact O-N 2.9Å; S433-S453 WeakPolarHBondContact O-CA 3.5Å; S433-S453 VanDerWaalsContact O-CB 3.27Å; S433-S453 WeakPolarHBondContact O-CB 3.41Å
434	P	80.9	Confident	80.2	Confident	33 Å²	33	36.2 Å²	36.2	21%	0.214	21%	0.211	C	C	.	.			trans	-64.2	123.9	178.6	26	-33.6	0	0	0	110.7	P414 L415 L432 P454	P414-P434 CarbonylContact C-O 3.59Å; P414-P434 VanDerWaalsContact CA-O 3.3Å; P414-P434 WeakPolarHBondContact CA-O 3.37Å; P414-P434 HydrophobicContact CB-CG 3.82Å; P414-P434 HydrophobicContact CG-CG 3.82Å; L415-P434 PolarHBondContact N-O 3.32Å; L432-P434 VanDerWaalsContact O-CD 3.3Å; L432-P434 WeakPolarHBondContact O-CD 3.45Å; P434-P454 HydrophobicContact CB-CG 3.57Å
435	S	79.5	Confident	80.5	Confident	7 Å²	7	34.6 Å²	34.6	5%	0.049	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	110.9	-175.7	-71.5	0	0	0	0	110.4	L415 S433 P454 I456	L415-S435 CarbonylContact O-C 3.51Å; L415-S435 WeakPolarHBondContact O-CA 3.27Å; S433-S435 PolarHBondContact O-N 2.9Å; S435-P454 PolarHBondContact N-O 2.86Å; S435-I456 PolarHBondContact O-N 3.45Å
436	I	81.9	Confident	80.8	Confident	55 Å²	55	36.1 Å²	36.1	28%	0.282	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.8	-167	-55.9	177.8	0	0	0	110.1	L415 I416 L417 S438 I456	L415-I436 PolarHBondContact O-N 3.14Å; I416-I436 WeakPolarHBondContact CA-O 3.48Å; I416-I436 HydrophobicContact CG1-CB 4.31Å; I416-I436 HydrophobicContact CG2-CB 4.49Å; L417-I436 PolarHBondContact N-O 3.09Å; I436-S438 PolarHBondContact O-N 3.5Å; I436-I456 WeakPolarHBondContact CA-O 3.41Å; I436-I456 HydrophobicContact CG1-CB 4.43Å
437	V	82.6	Confident	81	Confident	52 Å²	52	38 Å²	38	32%	0.315	22%	0.216	S	C	.	.	S	Bend	trans	54	49.3	-175.6	-161	0	0	0	0	112.1	L417 P439 I456 L457	L417-V437 WeakPolarHBondContact CA-O 3.39Å; L417-V437 HydrophobicContact CD2-CB 3.88Å; L417-V437 HydrophobicContact CD2-CG1 3.74Å; V437-P439 WeakPolarHBondContact O-CD 3.49Å; V437-I456 PolarHBondContact N-O 3.24Å; V437-L457 HydrophobicContact CG2-CB 4.11Å; V437-L457 HydrophobicContact CG2-CD2 3.92Å
438	S	80.5	Confident	81.2	Confident	12 Å²	12	34 Å²	34	8%	0.084	20%	0.196	C	C	.	.			trans	-106.2	86	176.6	45.6	0	0	0	0	111.4	S418 I436 S458	S418-S438 WeakPolarHBondContact O-CA 3.19Å; S418-S438 VanDerWaalsContact O-CB 3.3Å; S418-S438 WeakPolarHBondContact O-CB 3.4Å; I436-S438 PolarHBondContact O-N 3.5Å; S438-S458 WeakPolarHBondContact O-CB 3.44Å; S438-S458 WeakPolarHBondContact OG-CB 3.5Å
439	P	84.7	Confident	81.7	Confident	44 Å²	44	36.2 Å²	36.2	29%	0.286	21%	0.21	S	C	.	.			trans	-71.2	137.7	177.8	31.9	-36.4	0	0	0	110.7	P419 L420 V437 P459	P419-P439 VanDerWaalsContact CA-O 3.29Å; P419-P439 WeakPolarHBondContact CA-O 3.42Å; P419-P439 HydrophobicContact CB-CG 3.85Å; L420-P439 PolarHBondContact N-O 3.46Å; V437-P439 WeakPolarHBondContact O-CD 3.49Å; P439-P459 CarbonylContact C-O 3.55Å; P439-P459 WeakPolarHBondContact CA-O 3.31Å; P439-P459 HydrophobicContact CB-CG 3.65Å
440	A	83.4	Confident	81.9	Confident	12 Å²	12	33.9 Å²	33.9	10%	0.099	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.9	-176.5	0	0	0	0	0	110.9	L420 P459 Q460 I461	L420-A440 CarbonylContact O-C 3.58Å; L420-A440 WeakPolarHBondContact O-CA 3.45Å; A440-P459 PolarHBondContact N-O 3.28Å; A440-Q460 HydrophobicContact CB-CG 4.39Å; A440-I461 PolarHBondContact O-N 2.77Å
441	F	83.8	Confident	82.3	Confident	87 Å²	87	35.7 Å²	35.7	38%	0.382	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	122.2	176.9	-178.7	-84.6	0	0	0	110.6	L420 F421 S422 S443 I461 L462	L420-F441 PolarHBondContact O-N 2.9Å; F421-F441 WeakPolarHBondContact CA-O 3.44Å; F421-F441 HydrophobicContact CD1-CB 3.67Å; F421-F441 HydrophobicContact CD1-CD1 4.25Å; F421-F441 HydrophobicContact CD1-CG 4.2Å; F421-F441 HydrophobicContact CE1-CB 3.84Å; F421-F441 HydrophobicContact CE1-CG 4.39Å; S422-F441 PolarHBondContact N-O 3.5Å; F441-S443 VanDerWaalsContact C-N 3.28Å; F441-S443 PolarHBondContact O-N 3.06Å; F441-I461 CarbonylContact C-O 3.59Å; F441-I461 VanDerWaalsContact CA-O 3.25Å; F441-I461 WeakPolarHBondContact CA-O 3.3Å; F441-I461 HydrophobicContact CB-CB 4.46Å; F441-I461 HydrophobicContact CD2-CB 3.74Å; F441-I461 HydrophobicContact CD2-CD1 4.14Å; F441-I461 HydrophobicContact CD2-CG1 4.41Å; F441-I461 HydrophobicContact CD2-CG2 3.57Å; F441-I461 HydrophobicContact CE2-CB 4.46Å; F441-I461 HydrophobicContact CE2-CG2 3.79Å; F441-I461 HydrophobicContact CG-CB 4.46Å; F441-L462 HydrophobicContact CE1-CD1 4.39Å; F441-L462 HydrophobicContact CE2-CD1 4.13Å; F441-L462 HydrophobicContact CZ-CD1 3.89Å
442	A	81.2	Confident	82.5	Confident	30 Å²	30	36.1 Å²	36.1	25%	0.248	21%	0.207	C	C	.	.	S	Bend	trans	57.4	37.5	179.8	0	0	0	0	0	114.3	S422 I461 L462	S422-A442 WeakPolarHBondContact CA-O 3.18Å; A442-I461 PolarHBondContact N-O 3.34Å; A442-L462 WeakPolarHBondContact CA-O 3.37Å; A442-L462 HydrophobicContact CB-CB 4.08Å; A442-L462 HydrophobicContact CB-CD1 4.48Å
443	S	81.1	Confident	82.7	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.021	19%	0.19	C	C	.	.			trans	-110.4	100	174.7	57.6	0	0	0	0	110.5	S423 F441 S463	S423-S443 WeakPolarHBondContact O-CA 3.05Å; S423-S443 WeakPolarHBondContact O-CB 3.46Å; F441-S443 VanDerWaalsContact C-N 3.28Å; F441-S443 PolarHBondContact O-N 3.06Å; S443-S463 VanDerWaalsContact O-CA 3.31Å; S443-S463 WeakPolarHBondContact O-CA 3.3Å; S443-S463 VanDerWaalsContact O-CB 3.24Å; S443-S463 WeakPolarHBondContact O-CB 3.45Å
444	A	82.8	Confident	83.2	Confident	17 Å²	17	34.2 Å²	34.2	14%	0.14	20%	0.199	C	C	.	.			trans	-69.8	139.5	168.5	0	0	0	0	0	110.6	V425 V446 P464	V425-A444 PolarHBondContact N-O 3.38Å; A444-V446 HydrophobicContact CB-CG2 4.3Å; A444-P464 HydrophobicContact CB-CG 3.65Å
445	L	84.3	Confident	83.4	Confident	21 Å²	21	33.2 Å²	33.2	11%	0.11	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117	170.8	-84.5	79.1	0	0	0	108.7	V425 L450 P464 F465 V466	V425-L445 HydrophobicContact CB-CG 4.3Å; L445-L450 HydrophobicContact CD2-CD1 4.32Å; L445-P464 PolarHBondContact N-O 2.78Å; L445-F465 HydrophobicContact CB-CD1 4.16Å; L445-F465 HydrophobicContact CD2-CD1 4.24Å; L445-F465 HydrophobicContact CD2-CE1 3.9Å; L445-V466 PolarHBondContact O-N 2.79Å
446	V	84.4	Confident	83.7	Confident	42 Å²	42	35.5 Å²	35.5	26%	0.255	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.5	-174.1	-172.2	0	0	0	0	110.5	V425 V426 L427 A444 S448 V466	V425-V446 PolarHBondContact O-N 3.41Å; V426-V446 WeakPolarHBondContact CA-O 3.39Å; V426-V446 HydrophobicContact CG2-CB 4.46Å; L427-V446 PolarHBondContact N-O 3.23Å; L427-V446 VanDerWaalsContact N-O 3.09Å; A444-V446 HydrophobicContact CB-CG2 4.3Å; V446-S448 PolarHBondContact O-N 3.14Å; V446-S448 VanDerWaalsContact O-N 3.14Å; V446-V466 WeakPolarHBondContact CA-O 3.3Å; V446-V466 HydrophobicContact CG2-CB 4.45Å
447	L	85.1	Confident	83.9	Confident	79 Å²	79	37 Å²	37	41%	0.414	21%	0.211	S	C	.	.	S	Bend	trans	55	28.5	179.9	-66.2	160	0	0	0	113.7	L427 P449 V466 L467	L427-L447 HydrophobicContact CD2-CB 3.73Å; L427-L447 HydrophobicContact CD2-CD1 4.22Å; L427-L447 HydrophobicContact CG-CB 4.26Å; L447-P449 VanDerWaalsContact O-CD 3.31Å; L447-P449 WeakPolarHBondContact O-CD 3.47Å; L447-V466 PolarHBondContact N-O 3.42Å; L447-L467 HydrophobicContact CD2-CB 3.69Å; L447-L467 HydrophobicContact CD2-CD1 4.08Å; L447-L467 HydrophobicContact CG-CB 4.17Å
448	S	83.4	Confident	84	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.007	20%	0.196	C	C	.	.			trans	-103.6	98.5	178.5	55.9	0	0	0	0	110.4	S428 V446 L450 S468	S428-S448 VanDerWaalsContact O-CB 3.3Å; S428-S448 WeakPolarHBondContact O-CB 3.46Å; V446-S448 PolarHBondContact O-N 3.14Å; V446-S448 VanDerWaalsContact O-N 3.14Å; S448-L450 WeakPolarHBondContact O-CD1 3.31Å; S448-S468 WeakPolarHBondContact O-CB 3.38Å
449	P	85.6	Confident	84.4	Confident	51 Å²	51	36 Å²	36	33%	0.331	21%	0.206	S	C	.	.			trans	-72.2	135.1	176.1	31	-36.2	0	0	0	110.9	P429 Q430 L447 P469	P429-P449 HydrophobicContact CB-CG 3.67Å; Q430-P449 PolarHBondContact N-O 3.26Å; L447-P449 VanDerWaalsContact O-CD 3.31Å; L447-P449 WeakPolarHBondContact O-CD 3.47Å; P449-P469 WeakPolarHBondContact CA-O 3.48Å; P449-P469 HydrophobicContact CB-CG 3.71Å
450	L	85.1	Confident	84.4	Confident	6 Å²	6	34.6 Å²	34.6	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.3	178.2	-93.4	64.5	0	0	0	109.9	Q430 L445 S448 S453 L455 P469 I470 L471	Q430-L450 HydrophobicContact CB-CD1 4.22Å; Q430-L450 HydrophobicContact CB-CG 4.15Å; Q430-L450 HydrophobicContact CG-CD1 4.34Å; L445-L450 HydrophobicContact CD2-CD1 4.32Å; S448-L450 WeakPolarHBondContact O-CD1 3.31Å; L450-S453 WeakPolarHBondContact CB-OG 3.25Å; L450-S453 WeakPolarHBondContact CG-OG 3.24Å; L450-L455 HydrophobicContact CD2-CD1 4.29Å; L450-P469 PolarHBondContact N-O 2.94Å; L450-I470 HydrophobicContact CB-CG2 4.28Å; L450-L471 PolarHBondContact O-N 3.38Å
451	L	86	Confident	84.6	Confident	69 Å²	69	36.4 Å²	36.4	36%	0.361	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	113.4	-175.3	-157.8	144.6	0	0	0	111.8	Q430 L431 L432 S453 L471	Q430-L451 PolarHBondContact O-N 2.84Å; L431-L451 CarbonylContact C-O 3.48Å; L431-L451 WeakPolarHBondContact CA-O 3.04Å; L431-L451 HydrophobicContact CD1-CB 4.06Å; L431-L451 HydrophobicContact CD1-CD2 3.37Å; L431-L451 HydrophobicContact CD1-CG 4.28Å; L432-L451 PolarHBondContact N-O 3.41Å; L451-S453 VanDerWaalsContact C-N 3.32Å; L451-S453 PolarHBondContact O-N 2.81Å; L451-L471 VanDerWaalsContact CA-O 3.3Å; L451-L471 WeakPolarHBondContact CA-O 3.41Å; L451-L471 HydrophobicContact CD1-CB 4.44Å; L451-L471 HydrophobicContact CD1-CD2 3.78Å; L451-L471 HydrophobicContact CG-CB 4.29Å; L451-L471 HydrophobicContact CG-CD2 4.06Å; L451-L471 HydrophobicContact CG-CG 4.49Å
452	L	83.2	Confident	84.5	Confident	68 Å²	68	33.6 Å²	33.6	36%	0.356	19%	0.191	S	C	.	.	S	Bend	trans	54.1	40.2	-171.3	-72.8	94.8	0	0	0	114.5	L432 P454 L471 L472	L432-L452 VanDerWaalsContact CA-O 3.32Å; L432-L452 WeakPolarHBondContact CA-O 3.3Å; L432-L452 HydrophobicContact CD2-CB 3.71Å; L432-L452 HydrophobicContact CD2-CD2 3.84Å; L432-L452 HydrophobicContact CD2-CG 4.29Å; L432-L452 HydrophobicContact CG-CB 4.15Å; L452-P454 WeakPolarHBondContact O-CD 3.28Å; L452-L471 PolarHBondContact N-O 3.09Å; L452-L472 WeakPolarHBondContact CA-O 3.36Å; L452-L472 HydrophobicContact CD1-CB 4.01Å; L452-L472 HydrophobicContact CD1-CD1 3.67Å; L452-L472 HydrophobicContact CD1-CG 4.49Å; L452-L472 HydrophobicContact CG-CB 3.8Å; L452-L472 HydrophobicContact CG-CD1 4.15Å
453	S	83.5	Confident	84.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.			trans	-111.6	75.1	178.8	49.7	0	0	0	0	111.4	S433 L450 L451 L455 S473	S433-S453 WeakPolarHBondContact O-CA 3.5Å; S433-S453 VanDerWaalsContact O-CB 3.27Å; S433-S453 WeakPolarHBondContact O-CB 3.41Å; L450-S453 WeakPolarHBondContact CB-OG 3.25Å; L450-S453 WeakPolarHBondContact CG-OG 3.24Å; L451-S453 VanDerWaalsContact C-N 3.32Å; L451-S453 PolarHBondContact O-N 2.81Å; S453-L455 VanDerWaalsContact O-CD1 3.3Å; S453-L455 WeakPolarHBondContact O-CD1 3.17Å; S453-L455 PolarHBondContact O-N 3.48Å; S453-S473 WeakPolarHBondContact O-CB 3.31Å
454	P	85	Confident	85	Confident	29 Å²	29	32.8 Å²	32.8	19%	0.188	18%	0.183	C	C	.	.			trans	-61	135.8	-176.9	28	-37.7	0	0	0	111.8	P434 S435 L452 P474	P434-P454 HydrophobicContact CB-CG 3.57Å; S435-P454 PolarHBondContact N-O 2.86Å; L452-P454 WeakPolarHBondContact O-CD 3.28Å; P454-P474 CarbonylContact C-O 3.53Å; P454-P474 WeakPolarHBondContact CA-O 3.31Å; P454-P474 HydrophobicContact CB-CG 3.55Å
455	L	85.5	Confident	85.2	Confident	12 Å²	12	32.3 Å²	32.3	6%	0.063	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	113.1	178.8	-77.5	95.9	0	0	0	110	L450 S453 P474 F475 I476	L450-L455 HydrophobicContact CD2-CD1 4.29Å; S453-L455 VanDerWaalsContact O-CD1 3.3Å; S453-L455 WeakPolarHBondContact O-CD1 3.17Å; S453-L455 PolarHBondContact O-N 3.48Å; L455-P474 PolarHBondContact N-O 2.76Å; L455-F475 HydrophobicContact CB-CD1 3.96Å; L455-F475 HydrophobicContact CD1-CD1 4.02Å; L455-F475 HydrophobicContact CD1-CE1 3.77Å; L455-F475 HydrophobicContact CD1-CZ 4.2Å; L455-F475 HydrophobicContact CD2-CD1 4.18Å; L455-F475 HydrophobicContact CD2-CE1 4.05Å; L455-F475 HydrophobicContact CG-CD1 4.28Å; L455-F475 HydrophobicContact CG-CE1 4.33Å; L455-F475 CarbonylContact O-C 3.25Å; L455-I476 PolarHBondContact O-N 3.38Å
456	I	85.7	Confident	85.3	Confident	56 Å²	56	33.6 Å²	33.6	29%	0.287	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.5	-174.2	-50.2	-179.6	0	0	0	109.9	S435 I436 V437 S458 I476	S435-I456 PolarHBondContact O-N 3.45Å; I436-I456 WeakPolarHBondContact CA-O 3.41Å; I436-I456 HydrophobicContact CG1-CB 4.43Å; V437-I456 PolarHBondContact N-O 3.24Å; I456-S458 PolarHBondContact O-N 3.23Å; I456-I476 WeakPolarHBondContact CA-O 3.44Å; I456-I476 HydrophobicContact CG1-CB 4.47Å; I456-I476 HydrophobicContact CG1-CD1 4.38Å
457	L	85.2	Confident	85.5	Confident	85 Å²	85	35.4 Å²	35.4	45%	0.445	20%	0.195	S	C	.	.	S	Bend	trans	59.6	26.6	176.9	-135.1	84.8	0	0	0	114.5	V437 P459 I476 L477	V437-L457 HydrophobicContact CG2-CB 4.11Å; V437-L457 HydrophobicContact CG2-CD2 3.92Å; L457-P459 WeakPolarHBondContact O-CD 3.13Å; L457-I476 PolarHBondContact N-O 3.38Å; L457-L477 WeakPolarHBondContact CA-O 3.47Å; L457-L477 HydrophobicContact CD1-CB 3.77Å; L457-L477 HydrophobicContact CD1-CD1 3.87Å; L457-L477 HydrophobicContact CD1-CG 4.46Å
458	S	85.5	Confident	85.5	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.007	18%	0.175	C	C	.	.			trans	-103.5	91.4	-175	37.3	0	0	0	0	111.7	S438 I456 Q460 S478	S438-S458 WeakPolarHBondContact O-CB 3.44Å; S438-S458 WeakPolarHBondContact OG-CB 3.5Å; I456-S458 PolarHBondContact O-N 3.23Å; S458-Q460 PolarHBondContact O-N 2.8Å; S458-S478 WeakPolarHBondContact O-CA 3.04Å; S458-S478 WeakPolarHBondContact O-CB 3.41Å
459	P	87.5	Confident	85.8	Confident	44 Å²	44	34.3 Å²	34.3	29%	0.286	19%	0.192	S	C	.	.			trans	-68.1	128.5	177.5	30.2	-36.3	0	0	0	110.3	P439 A440 L457 P479	P439-P459 CarbonylContact C-O 3.55Å; P439-P459 WeakPolarHBondContact CA-O 3.31Å; P439-P459 HydrophobicContact CB-CG 3.65Å; A440-P459 PolarHBondContact N-O 3.28Å; L457-P459 WeakPolarHBondContact O-CD 3.13Å; P459-P479 HydrophobicContact CB-CG 3.56Å
460	Q	85.9	Confident	85.9	Confident	14 Å²	14	32.3 Å²	32.3	7%	0.065	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.9	-176.1	-69	-168.4	-13.3	0	0	110.7	A440 S458 P479 M480 I481	A440-Q460 HydrophobicContact CB-CG 4.39Å; S458-Q460 PolarHBondContact O-N 2.8Å; Q460-P479 PolarHBondContact N-O 2.97Å; Q460-M480 CarbonylContact O-C 3.56Å; Q460-I481 WeakPolarHBondContact O-CA 3.29Å; Q460-I481 VanDerWaalsContact O-CB 3.27Å; Q460-I481 WeakPolarHBondContact O-CB 3.18Å; Q460-I481 WeakPolarHBondContact O-CG1 3.45Å; Q460-I481 PolarHBondContact O-N 3.19Å
461	I	86.3	Confident	86	Confident	50 Å²	50	34.8 Å²	34.8	26%	0.256	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.5	179	-46.3	-168.4	0	0	0	109.4	A440 F441 A442 S463 I481	A440-I461 PolarHBondContact O-N 2.77Å; F441-I461 CarbonylContact C-O 3.59Å; F441-I461 VanDerWaalsContact CA-O 3.25Å; F441-I461 WeakPolarHBondContact CA-O 3.3Å; F441-I461 HydrophobicContact CB-CB 4.46Å; F441-I461 HydrophobicContact CD2-CB 3.74Å; F441-I461 HydrophobicContact CD2-CD1 4.14Å; F441-I461 HydrophobicContact CD2-CG1 4.41Å; F441-I461 HydrophobicContact CD2-CG2 3.57Å; F441-I461 HydrophobicContact CE2-CB 4.46Å; F441-I461 HydrophobicContact CE2-CG2 3.79Å; F441-I461 HydrophobicContact CG-CB 4.46Å; A442-I461 PolarHBondContact N-O 3.34Å; I461-S463 VanDerWaalsContact C-N 3.25Å; I461-S463 PolarHBondContact O-N 3.26Å; I461-I481 WeakPolarHBondContact CA-O 3.39Å; I461-I481 HydrophobicContact CB-CB 4.11Å; I461-I481 HydrophobicContact CB-CG2 4.28Å; I461-I481 HydrophobicContact CD1-CD1 4.07Å; I461-I481 HydrophobicContact CD1-CG2 4.42Å; I461-I481 HydrophobicContact CG1-CB 3.86Å; I461-I481 HydrophobicContact CG1-CD1 4.01Å; I461-I481 HydrophobicContact CG1-CG1 4.19Å; I461-I481 HydrophobicContact CG1-CG2 4.13Å; I461-I481 HydrophobicContact CG2-CB 4.07Å; I461-I481 HydrophobicContact CG2-CG2 3.72Å
462	L	83.1	Confident	86	Confident	27 Å²	27	35 Å²	35	14%	0.141	19%	0.192	C	C	.	.	S	Bend	trans	61.2	33.6	170.2	-95.4	161.6	0	0	0	113.4	F441 A442 P464 I481 V482 Q599 A600	F441-L462 HydrophobicContact CE1-CD1 4.39Å; F441-L462 HydrophobicContact CE2-CD1 4.13Å; F441-L462 HydrophobicContact CZ-CD1 3.89Å; A442-L462 WeakPolarHBondContact CA-O 3.37Å; A442-L462 HydrophobicContact CB-CB 4.08Å; A442-L462 HydrophobicContact CB-CD1 4.48Å; L462-P464 WeakPolarHBondContact O-CD 3.5Å; L462-I481 PolarHBondContact N-O 3.14Å; L462-V482 HydrophobicContact CD2-CG1 4.47Å; L462-V482 PolarHBondContact N-O 2.81Å; L462-Q599 HydrophobicContact CD2-CB 3.61Å; L462-Q599 WeakPolarHBondContact CD2-O 3.17Å; L462-A600 VanDerWaalsContact CD2-CA 3.42Å; L462-A600 HydrophobicContact CD2-CB 4.2Å
463	S	85.3	Confident	86.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.175	C	C	.	.			trans	-116.2	84.2	-168.7	56.5	0	0	0	0	112.1	S443 I461 F465 V482 A483	S443-S463 VanDerWaalsContact O-CA 3.31Å; S443-S463 WeakPolarHBondContact O-CA 3.3Å; S443-S463 VanDerWaalsContact O-CB 3.24Å; S443-S463 WeakPolarHBondContact O-CB 3.45Å; I461-S463 VanDerWaalsContact C-N 3.25Å; I461-S463 PolarHBondContact O-N 3.26Å; S463-F465 WeakPolarHBondContact O-CD2 3.32Å; S463-V482 PolarHBondContact N-O 2.91Å; S463-A483 WeakPolarHBondContact O-CA 3.31Å
464	P	86.3	Confident	86.3	Confident	16 Å²	16	33.1 Å²	33.1	10%	0.104	19%	0.185	C	C	.	.			trans	-69	142	171	30.9	-36.3	0	0	0	111	A444 L445 L462 V466 P484	A444-P464 HydrophobicContact CB-CG 3.65Å; L445-P464 PolarHBondContact N-O 2.78Å; L462-P464 WeakPolarHBondContact O-CD 3.5Å; P464-V466 HydrophobicContact CB-CG2 4.46Å; P464-P484 WeakPolarHBondContact CA-O 3.36Å; P464-P484 HydrophobicContact CB-CG 3.83Å
465	F	87.6	Confident	86.4	Confident	8 Å²	8	32.1 Å²	32.1	4%	0.035	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.1	173.4	-68.7	-95.7	0	0	0	108.8	L445 S463 I470 M480 A483 P484 V486	L445-F465 HydrophobicContact CB-CD1 4.16Å; L445-F465 HydrophobicContact CD2-CD1 4.24Å; L445-F465 HydrophobicContact CD2-CE1 3.9Å; S463-F465 WeakPolarHBondContact O-CD2 3.32Å; F465-I470 HydrophobicContact CD1-CD1 4.09Å; F465-I470 HydrophobicContact CE1-CD1 4.31Å; F465-M480 HydrophobicContact CE2-CE 3.88Å; F465-M480 HydrophobicContact CZ-CE 4.35Å; F465-A483 HydrophobicContact CE2-CB 4.32Å; F465-P484 PolarHBondContact N-O 2.94Å; F465-V486 PolarHBondContact O-N 3.49Å
466	V	87.3	Confident	86.5	Confident	47 Å²	47	33.9 Å²	33.9	29%	0.285	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	119	-174.1	-175	0	0	0	0	110.4	L445 V446 L447 P464 S468	L445-V466 PolarHBondContact O-N 2.79Å; V446-V466 WeakPolarHBondContact CA-O 3.3Å; V446-V466 HydrophobicContact CG2-CB 4.45Å; L447-V466 PolarHBondContact N-O 3.42Å; P464-V466 HydrophobicContact CB-CG2 4.46Å; V466-S468 PolarHBondContact O-N 2.89Å; V466-S468 VanDerWaalsContact O-N 3.09Å
467	L	86.8	Confident	86.5	Confident	81 Å²	81	35.5 Å²	35.5	42%	0.424	20%	0.195	S	C	.	.	S	Bend	trans	54.4	26.7	-179.3	-62.5	164.6	0	0	0	113.6	L447 P469 V486 L487	L447-L467 HydrophobicContact CD2-CB 3.69Å; L447-L467 HydrophobicContact CD2-CD1 4.08Å; L447-L467 HydrophobicContact CG-CB 4.17Å; L467-P469 WeakPolarHBondContact O-CD 3.26Å; L467-V486 PolarHBondContact N-O 3.23Å; L467-L487 HydrophobicContact CD2-CB 3.63Å; L467-L487 HydrophobicContact CD2-CD1 4.01Å; L467-L487 HydrophobicContact CD2-CG 4.47Å; L467-L487 HydrophobicContact CG-CB 4.41Å
468	S	86.8	Confident	86.6	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.007	17%	0.174	C	C	.	.			trans	-99.9	102.1	177.1	54.1	0	0	0	0	109.8	S448 V466 I470 S488	S448-S468 WeakPolarHBondContact O-CB 3.38Å; V466-S468 PolarHBondContact O-N 2.89Å; V466-S468 VanDerWaalsContact O-N 3.09Å; S468-I470 WeakPolarHBondContact O-CG1 3.43Å; S468-S488 WeakPolarHBondContact O-CA 3.4Å; S468-S488 WeakPolarHBondContact O-CB 3.04Å
469	P	88.7	Confident	86.7	Confident	56 Å²	56	32.7 Å²	32.7	36%	0.364	18%	0.182	S	C	.	.			trans	-72.8	140.3	172.3	32	-35.6	0	0	0	110.1	P449 L450 L467 P489	P449-P469 WeakPolarHBondContact CA-O 3.48Å; P449-P469 HydrophobicContact CB-CG 3.71Å; L450-P469 PolarHBondContact N-O 2.94Å; L467-P469 WeakPolarHBondContact O-CD 3.26Å; P469-P489 HydrophobicContact CB-CG 3.74Å
470	I	88	Confident	86.5	Confident	8 Å²	8	32.3 Å²	32.3	4%	0.041	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	114	-169.8	-50.5	-174.4	0	0	0	109.5	L450 F465 S468 S473 F475 P489 M490 A491 N493	L450-I470 HydrophobicContact CB-CG2 4.28Å; F465-I470 HydrophobicContact CD1-CD1 4.09Å; F465-I470 HydrophobicContact CE1-CD1 4.31Å; S468-I470 WeakPolarHBondContact O-CG1 3.43Å; I470-S473 WeakPolarHBondContact CG2-OG 3.42Å; I470-F475 HydrophobicContact CG2-CE2 4.35Å; I470-F475 HydrophobicContact CG2-CZ 4.41Å; I470-P489 PolarHBondContact N-O 2.83Å; I470-M490 HydrophobicContact CB-CG 4.38Å; I470-M490 HydrophobicContact CD1-CG 4.48Å; I470-M490 WeakPolarHBondContact O-CA 3.38Å; I470-A491 PolarHBondContact O-N 2.91Å; I470-N493 WeakPolarHBondContact CG2-ND2 3.45Å; I470-N493 PolarHBondContact O-ND2 2.78Å
471	L	88	Confident	86.5	Confident	59 Å²	59	33 Å²	33	31%	0.309	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.6	-176.6	-177.9	67.8	0	0	0	112.2	L450 L451 L452 S473 A491 L492	L450-L471 PolarHBondContact O-N 3.38Å; L451-L471 VanDerWaalsContact CA-O 3.3Å; L451-L471 WeakPolarHBondContact CA-O 3.41Å; L451-L471 HydrophobicContact CD1-CB 4.44Å; L451-L471 HydrophobicContact CD1-CD2 3.78Å; L451-L471 HydrophobicContact CG-CB 4.29Å; L451-L471 HydrophobicContact CG-CD2 4.06Å; L451-L471 HydrophobicContact CG-CG 4.49Å; L452-L471 PolarHBondContact N-O 3.09Å; L471-S473 PolarHBondContact O-N 2.83Å; L471-S473 VanDerWaalsContact O-N 3.15Å; L471-A491 WeakPolarHBondContact CA-O 3.3Å; L471-A491 HydrophobicContact CD1-CB 3.54Å; L471-L492 HydrophobicContact CD1-CD1 4.13Å
472	L	85	Confident	86.2	Confident	72 Å²	72	31.2 Å²	31.2	38%	0.377	17%	0.172	S	C	.	.	S	Bend	trans	57.2	25.8	173.4	-70.1	159.4	0	0	0	114.8	L452 P474 A491 L492 N493	L452-L472 WeakPolarHBondContact CA-O 3.36Å; L452-L472 HydrophobicContact CD1-CB 4.01Å; L452-L472 HydrophobicContact CD1-CD1 3.67Å; L452-L472 HydrophobicContact CD1-CG 4.49Å; L452-L472 HydrophobicContact CG-CB 3.8Å; L452-L472 HydrophobicContact CG-CD1 4.15Å; L472-P474 VanDerWaalsContact O-CD 3.23Å; L472-P474 WeakPolarHBondContact O-CD 3.33Å; L472-A491 PolarHBondContact N-O 3.29Å; L472-L492 HydrophobicContact CD2-CB 3.66Å; L472-L492 HydrophobicContact CD2-CD1 3.95Å; L472-L492 HydrophobicContact CD2-CG 4.32Å; L472-L492 HydrophobicContact CG-CB 3.94Å; L472-L492 HydrophobicContact CG-CD1 4.07Å; L472-N493 PolarHBondContact N-OD1 2.86Å; L472-N493 VanDerWaalsContact N-OD1 3.11Å
473	S	86.3	Confident	86.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.			trans	-102.2	95	170.5	59.7	0	0	0	0	109.8	S453 I470 L471 F475 N493	S453-S473 WeakPolarHBondContact O-CB 3.31Å; I470-S473 WeakPolarHBondContact CG2-OG 3.42Å; L471-S473 PolarHBondContact O-N 2.83Å; L471-S473 VanDerWaalsContact O-N 3.15Å; S473-F475 VanDerWaalsContact O-CD2 3.31Å; S473-F475 WeakPolarHBondContact O-CD2 3.41Å; S473-F475 WeakPolarHBondContact O-CE2 3.27Å; S473-N493 PolarHBondContact N-OD1 3.08Å; S473-N493 WeakPolarHBondContact O-CB 3.14Å; S473-N493 PolarHBondContact O-OD1 3.02Å; S473-N493 PolarHBondContact OG-OD1 2.82Å
474	P	87.2	Confident	86.2	Confident	30 Å²	30	31.5 Å²	31.5	20%	0.195	18%	0.176	C	C	.	.			trans	-65.2	140.9	170.3	30.9	-38	0	0	0	109.9	P454 L455 L472 I476 P494	P454-P474 CarbonylContact C-O 3.53Å; P454-P474 WeakPolarHBondContact CA-O 3.31Å; P454-P474 HydrophobicContact CB-CG 3.55Å; L455-P474 PolarHBondContact N-O 2.76Å; L472-P474 VanDerWaalsContact O-CD 3.23Å; L472-P474 WeakPolarHBondContact O-CD 3.33Å; P474-I476 HydrophobicContact CB-CG1 4.48Å; P474-P494 CarbonylContact C-O 3.6Å; P474-P494 WeakPolarHBondContact CA-O 3.14Å; P474-P494 HydrophobicContact CB-CG 3.62Å
475	F	86.9	Confident	86.2	Confident	7 Å²	7	31.1 Å²	31.1	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.3	174.1	-62.4	-105.2	0	0	0	108.5	L455 I470 S473 M490 N493 P494 I495 L496 N498	L455-F475 HydrophobicContact CB-CD1 3.96Å; L455-F475 HydrophobicContact CD1-CD1 4.02Å; L455-F475 HydrophobicContact CD1-CE1 3.77Å; L455-F475 HydrophobicContact CD1-CZ 4.2Å; L455-F475 HydrophobicContact CD2-CD1 4.18Å; L455-F475 HydrophobicContact CD2-CE1 4.05Å; L455-F475 HydrophobicContact CG-CD1 4.28Å; L455-F475 HydrophobicContact CG-CE1 4.33Å; L455-F475 CarbonylContact O-C 3.25Å; I470-F475 HydrophobicContact CG2-CE2 4.35Å; I470-F475 HydrophobicContact CG2-CZ 4.41Å; S473-F475 VanDerWaalsContact O-CD2 3.31Å; S473-F475 WeakPolarHBondContact O-CD2 3.41Å; S473-F475 WeakPolarHBondContact O-CE2 3.27Å; F475-M490 HydrophobicContact CE2-CE 4.14Å; F475-N493 HydrophobicContact CD2-CB 4.41Å; F475-N493 HydrophobicContact CE2-CB 4.24Å; F475-P494 PolarHBondContact N-O 3.15Å; F475-I495 HydrophobicContact CD2-CG1 4.38Å; F475-I495 CarbonylContact O-C 3.6Å; F475-I495 WeakPolarHBondContact O-CA 3.2Å; F475-L496 PolarHBondContact O-N 3.38Å; F475-N498 VanDerWaalsContact CB-ND2 3.29Å; F475-N498 WeakPolarHBondContact CB-ND2 3.3Å
476	I	86.8	Confident	86.1	Confident	50 Å²	50	32.9 Å²	32.9	26%	0.256	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	122.7	-172.6	-47.8	-177.4	0	0	0	109.6	L455 I456 L457 P474 S478 L496	L455-I476 PolarHBondContact O-N 3.38Å; I456-I476 WeakPolarHBondContact CA-O 3.44Å; I456-I476 HydrophobicContact CG1-CB 4.47Å; I456-I476 HydrophobicContact CG1-CD1 4.38Å; L457-I476 PolarHBondContact N-O 3.38Å; P474-I476 HydrophobicContact CB-CG1 4.48Å; I476-S478 PolarHBondContact N-OG 2.87Å; I476-S478 PolarHBondContact O-N 3.36Å; I476-S478 VanDerWaalsContact O-N 3.12Å; I476-S478 PolarHBondContact O-OG 3.14Å; I476-L496 CarbonylContact C-O 3.35Å; I476-L496 WeakPolarHBondContact CA-O 3.22Å; I476-L496 HydrophobicContact CB-CB 4.47Å; I476-L496 HydrophobicContact CD1-CD1 4.33Å; I476-L496 HydrophobicContact CG1-CB 4.25Å; I476-L496 HydrophobicContact CG1-CD1 4.13Å; I476-L496 HydrophobicContact CG2-CB 4.24Å
477	L	86.3	Confident	86	Confident	90 Å²	90	34.8 Å²	34.8	47%	0.471	19%	0.193	S	C	.	.	S	Bend	trans	49.9	35.3	179	-68	163.6	0	0	0	114	L457 P479 L496 A497 N498	L457-L477 WeakPolarHBondContact CA-O 3.47Å; L457-L477 HydrophobicContact CD1-CB 3.77Å; L457-L477 HydrophobicContact CD1-CD1 3.87Å; L457-L477 HydrophobicContact CD1-CG 4.46Å; L477-P479 VanDerWaalsContact O-CD 3.31Å; L477-P479 WeakPolarHBondContact O-CD 3.41Å; L477-L496 PolarHBondContact N-O 3.48Å; L477-A497 HydrophobicContact CD2-CB 3.52Å; L477-A497 HydrophobicContact CG-CB 4.05Å; L477-N498 PolarHBondContact N-OD1 2.88Å
478	S	86.8	Confident	86	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.			trans	-110.1	87.7	-178	21.9	0	0	0	0	110.2	S458 I476 M480 N498	S458-S478 WeakPolarHBondContact O-CA 3.04Å; S458-S478 WeakPolarHBondContact O-CB 3.41Å; I476-S478 PolarHBondContact N-OG 2.87Å; I476-S478 PolarHBondContact O-N 3.36Å; I476-S478 VanDerWaalsContact O-N 3.12Å; I476-S478 PolarHBondContact O-OG 3.14Å; S478-M480 WeakPolarHBondContact O-CG 3.48Å; S478-N498 PolarHBondContact N-OD1 3Å; S478-N498 PolarHBondContact O-ND2 3.15Å; S478-N498 PolarHBondContact OG-ND2 2.88Å; S478-N498 PolarHBondContact OG-OD1 2.77Å
479	P	86.9	Confident	86	Confident	27 Å²	27	33.5 Å²	33.5	18%	0.175	19%	0.189	C	C	.	.			trans	-65.8	135.6	-179.1	28.6	-37.3	0	0	0	111.8	P459 Q460 L477 P499	P459-P479 HydrophobicContact CB-CG 3.56Å; Q460-P479 PolarHBondContact N-O 2.97Å; L477-P479 VanDerWaalsContact O-CD 3.31Å; L477-P479 WeakPolarHBondContact O-CD 3.41Å; P479-P499 HydrophobicContact CB-CG 3.44Å; P479-P499 VanDerWaalsContact CB-CG 3.44Å
480	M	85.1	Confident	86	Confident	35 Å²	35	31.7 Å²	31.7	17%	0.172	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.9	-171.7	-55.6	-174.5	88.4	0	0	111.6	Q460 F465 S478 A483 P499 S500 V603	Q460-M480 CarbonylContact O-C 3.56Å; F465-M480 HydrophobicContact CE2-CE 3.88Å; F465-M480 HydrophobicContact CZ-CE 4.35Å; S478-M480 WeakPolarHBondContact O-CG 3.48Å; M480-A483 HydrophobicContact CB-CB 4.14Å; M480-A483 HydrophobicContact CE-CB 3.88Å; M480-P499 PolarHBondContact N-O 2.96Å; M480-S500 WeakPolarHBondContact O-CA 3.32Å; M480-V603 PolarHBondContact O-N 2.84Å
481	I	84.2	Confident	85.9	Confident	29 Å²	29	32.4 Å²	32.4	15%	0.149	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	83.2	-159.5	-52	-162.9	0	0	0	111.1	Q460 I461 L462 T602	Q460-I481 WeakPolarHBondContact O-CA 3.29Å; Q460-I481 VanDerWaalsContact O-CB 3.27Å; Q460-I481 WeakPolarHBondContact O-CB 3.18Å; Q460-I481 WeakPolarHBondContact O-CG1 3.45Å; Q460-I481 PolarHBondContact O-N 3.19Å; I461-I481 WeakPolarHBondContact CA-O 3.39Å; I461-I481 HydrophobicContact CB-CB 4.11Å; I461-I481 HydrophobicContact CB-CG2 4.28Å; I461-I481 HydrophobicContact CD1-CD1 4.07Å; I461-I481 HydrophobicContact CD1-CG2 4.42Å; I461-I481 HydrophobicContact CG1-CB 3.86Å; I461-I481 HydrophobicContact CG1-CD1 4.01Å; I461-I481 HydrophobicContact CG1-CG1 4.19Å; I461-I481 HydrophobicContact CG1-CG2 4.13Å; I461-I481 HydrophobicContact CG2-CB 4.07Å; I461-I481 HydrophobicContact CG2-CG2 3.72Å; L462-I481 PolarHBondContact N-O 3.14Å; I481-T602 VanDerWaalsContact CA-C 3.42Å; I481-T602 VanDerWaalsContact CA-O 3.31Å; I481-T602 WeakPolarHBondContact CA-O 3.5Å; I481-T602 VanDerWaalsContact CG2-CA 3.48Å
482	V	81.6	Confident	85.8	Confident	13 Å²	13	33.4 Å²	33.4	8%	0.079	19%	0.189	C	C	.	.	S	Bend	trans	51.6	102	-150	131.3	0	0	0	0	111.6	L462 S463 V502 A600 V601 T602	L462-V482 HydrophobicContact CD2-CG1 4.47Å; L462-V482 PolarHBondContact N-O 2.81Å; S463-V482 PolarHBondContact N-O 2.91Å; V482-V502 HydrophobicContact CG2-CB 3.53Å; V482-V502 HydrophobicContact CG2-CG1 3.59Å; V482-V502 HydrophobicContact CG2-CG2 4.18Å; V482-A600 WeakPolarHBondContact CB-O 3.32Å; V482-A600 WeakPolarHBondContact CG2-O 3.33Å; V482-V601 WeakPolarHBondContact CB-O 3.42Å; V482-V601 WeakPolarHBondContact CG2-O 3.2Å; V482-V601 PolarHBondContact N-O 2.9Å; V482-V601 VanDerWaalsContact N-O 3.16Å; V482-T602 PolarHBondContact N-O 2.89Å; V482-T602 VanDerWaalsContact N-O 3.14Å
483	A	82.4	Confident	85.9	Confident	6 Å²	6	30 Å²	30	5%	0.05	17%	0.171	C	C	.	.			trans	-140.7	72.1	174.9	0	0	0	0	0	109.9	S463 F465 M480 V502	S463-A483 WeakPolarHBondContact O-CA 3.31Å; F465-A483 HydrophobicContact CE2-CB 4.32Å; M480-A483 HydrophobicContact CB-CB 4.14Å; M480-A483 HydrophobicContact CE-CB 3.88Å; A483-V502 PolarHBondContact N-O 2.85Å
484	P	85	Confident	85.8	Confident	26 Å²	26	31.6 Å²	31.6	17%	0.169	18%	0.182	C	C	.	.			trans	-68.7	140.8	174.1	31.5	-35.7	0	0	0	110	P464 F465 L504	P464-P484 WeakPolarHBondContact CA-O 3.36Å; P464-P484 HydrophobicContact CB-CG 3.83Å; F465-P484 PolarHBondContact N-O 2.94Å; P484-L504 CarbonylContact C-O 3.59Å; P484-L504 VanDerWaalsContact CA-O 3.3Å; P484-L504 WeakPolarHBondContact CA-O 2.95Å; P484-L504 HydrophobicContact CB-CB 3.94Å; P484-L504 HydrophobicContact CB-CD1 4.44Å; P484-L504 HydrophobicContact CB-CG 4.43Å
485	S	85.6	Confident	85.7	Confident	8 Å²	8	31.3 Å²	31.3	6%	0.056	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.4	-179.2	83.2	0	0	0	0	109.4	S488 L504 N505 L506 S508	S485-S488 VanDerWaalsContact CB-OG 3.26Å; S485-S488 WeakPolarHBondContact CB-OG 3.3Å; S485-L504 PolarHBondContact N-O 2.94Å; S485-N505 PolarHBondContact OG-OD1 3.1Å; S485-L506 PolarHBondContact O-N 2.86Å; S485-S508 PolarHBondContact OG-OG 2.95Å
486	V	85.9	Confident	85.6	Confident	46 Å²	46	33.6 Å²	33.6	28%	0.279	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	116.5	-168.8	-173.6	0	0	0	0	109.6	F465 L467 S488 L506	F465-V486 PolarHBondContact O-N 3.49Å; L467-V486 PolarHBondContact N-O 3.23Å; V486-S488 PolarHBondContact N-OG 3.11Å; V486-S488 PolarHBondContact O-N 3.25Å; V486-S488 VanDerWaalsContact O-N 3.14Å; V486-L506 HydrophobicContact CG1-CB 4.42Å; V486-L506 HydrophobicContact CG2-CB 4.36Å; V486-L506 HydrophobicContact CG2-CD1 4.27Å
487	L	86	Confident	85.5	Confident	86 Å²	86	32.5 Å²	32.5	45%	0.45	19%	0.188	S	C	.	.	S	Bend	trans	52.7	31.1	-176.8	-64.6	164.3	0	0	0	113.1	L467 P489 L506 L507	L467-L487 HydrophobicContact CD2-CB 3.63Å; L467-L487 HydrophobicContact CD2-CD1 4.01Å; L467-L487 HydrophobicContact CD2-CG 4.47Å; L467-L487 HydrophobicContact CG-CB 4.41Å; L487-P489 VanDerWaalsContact O-CD 3.27Å; L487-P489 WeakPolarHBondContact O-CD 3.29Å; L487-L506 PolarHBondContact N-O 2.9Å; L487-L507 HydrophobicContact CD2-CB 3.62Å; L487-L507 HydrophobicContact CD2-CD2 4.04Å; L487-L507 HydrophobicContact CD2-CG 4.5Å; L487-L507 HydrophobicContact CG-CB 4.39Å
488	S	87	Confident	85.4	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.167	C	C	.	.			trans	-106.7	91.6	-178.8	49.2	0	0	0	0	109.9	S468 S485 V486 S508	S468-S488 WeakPolarHBondContact O-CA 3.4Å; S468-S488 WeakPolarHBondContact O-CB 3.04Å; S485-S488 VanDerWaalsContact CB-OG 3.26Å; S485-S488 WeakPolarHBondContact CB-OG 3.3Å; V486-S488 PolarHBondContact N-OG 3.11Å; V486-S488 PolarHBondContact O-N 3.25Å; V486-S488 VanDerWaalsContact O-N 3.14Å; S488-S508 WeakPolarHBondContact O-CB 3.4Å
489	P	87.6	Confident	85.4	Confident	55 Å²	55	28.6 Å²	28.6	36%	0.357	17%	0.169	S	C	.	.			trans	-68.1	136.2	179.2	29.3	-35.8	0	0	0	110.7	P469 I470 L487 P509	P469-P489 HydrophobicContact CB-CG 3.74Å; I470-P489 PolarHBondContact N-O 2.83Å; L487-P489 VanDerWaalsContact O-CD 3.27Å; L487-P489 WeakPolarHBondContact O-CD 3.29Å; P489-P509 HydrophobicContact CB-CG 3.82Å
490	M	87.1	Confident	85.2	Confident	19 Å²	19	27.7 Å²	27.7	9%	0.094	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.2	-177.6	-63.5	-178	71.8	0	0	110.8	I470 F475 N493 P509 M510 T511	I470-M490 HydrophobicContact CB-CG 4.38Å; I470-M490 HydrophobicContact CD1-CG 4.48Å; I470-M490 WeakPolarHBondContact O-CA 3.38Å; F475-M490 HydrophobicContact CE2-CE 4.14Å; M490-N493 HydrophobicContact CE-CB 4.3Å; M490-P509 PolarHBondContact N-O 3.08Å; M490-M510 HydrophobicContact CB-CG 4.35Å; M490-M510 CarbonylContact O-C 3.53Å; M490-M510 WeakPolarHBondContact O-CA 3.3Å; M490-M510 HydrophobicContact SD-CE 4.12Å; M490-M510 HydrophobicContact SD-CG 4.48Å; M490-T511 PolarHBondContact O-N 3.12Å; M490-T511 PolarHBondContact O-OG1 2.9Å
491	A	87	Confident	85	Confident	23 Å²	23	27.7 Å²	27.7	19%	0.19	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	131.5	178.4	0	0	0	0	0	111.9	I470 L471 L472 N493 T511	I470-A491 PolarHBondContact O-N 2.91Å; L471-A491 WeakPolarHBondContact CA-O 3.3Å; L471-A491 HydrophobicContact CD1-CB 3.54Å; L472-A491 PolarHBondContact N-O 3.29Å; A491-N493 VanDerWaalsContact C-N 3.32Å; A491-N493 PolarHBondContact N-ND2 2.81Å; A491-N493 VanDerWaalsContact O-CG 3.31Å; A491-N493 PolarHBondContact O-N 3.12Å; A491-N493 PolarHBondContact O-ND2 3.3Å; A491-N493 PolarHBondContact O-OD1 3.44Å; A491-T511 CarbonylContact C-O 3.54Å; A491-T511 VanDerWaalsContact CA-O 3.28Å; A491-T511 WeakPolarHBondContact CA-O 3.49Å; A491-T511 WeakPolarHBondContact CA-OG1 3.44Å; A491-T511 WeakPolarHBondContact CB-OG1 3.31Å
492	L	85.2	Confident	84.7	Confident	79 Å²	79	27.7 Å²	27.7	41%	0.414	16%	0.164	S	C	.	.	S	Bend	trans	59.6	35.8	174.6	-62.7	155	0	0	0	114	L471 L472 P494 T511 H512	L471-L492 HydrophobicContact CD1-CD1 4.13Å; L472-L492 HydrophobicContact CD2-CB 3.66Å; L472-L492 HydrophobicContact CD2-CD1 3.95Å; L472-L492 HydrophobicContact CD2-CG 4.32Å; L472-L492 HydrophobicContact CG-CB 3.94Å; L472-L492 HydrophobicContact CG-CD1 4.07Å; L492-P494 VanDerWaalsContact O-CD 3.27Å; L492-P494 WeakPolarHBondContact O-CD 3.27Å; L492-T511 PolarHBondContact N-O 3.39Å; L492-H512 CarbonylContact C-O 3.15Å; L492-H512 VanDerWaalsContact CA-O 3.3Å; L492-H512 WeakPolarHBondContact CA-O 3.39Å; L492-H512 HydrophobicContact CD2-CB 3.63Å; L492-H512 HydrophobicContact CG-CB 4.06Å
493	N	86.3	Confident	84.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.165	C	C	.	.			trans	-111.9	86.5	-177.3	-54	-46.2	0	0	0	110.9	I470 L472 S473 F475 M490 A491 H512 C513	I470-N493 WeakPolarHBondContact CG2-ND2 3.45Å; I470-N493 PolarHBondContact O-ND2 2.78Å; L472-N493 PolarHBondContact N-OD1 2.86Å; L472-N493 VanDerWaalsContact N-OD1 3.11Å; S473-N493 PolarHBondContact N-OD1 3.08Å; S473-N493 WeakPolarHBondContact O-CB 3.14Å; S473-N493 PolarHBondContact O-OD1 3.02Å; S473-N493 PolarHBondContact OG-OD1 2.82Å; F475-N493 HydrophobicContact CD2-CB 4.41Å; F475-N493 HydrophobicContact CE2-CB 4.24Å; M490-N493 HydrophobicContact CE-CB 4.3Å; A491-N493 VanDerWaalsContact C-N 3.32Å; A491-N493 PolarHBondContact N-ND2 2.81Å; A491-N493 VanDerWaalsContact O-CG 3.31Å; A491-N493 PolarHBondContact O-N 3.12Å; A491-N493 PolarHBondContact O-ND2 3.3Å; A491-N493 PolarHBondContact O-OD1 3.44Å; N493-H512 PolarHBondContact N-O 2.82Å; N493-C513 VanDerWaalsContact O-CA 3.27Å; N493-C513 WeakPolarHBondContact O-CA 3.42Å; N493-C513 WeakPolarHBondContact O-CB 3.43Å
494	P	85.4	Confident	84.2	Confident	35 Å²	35	30.4 Å²	30.4	23%	0.227	18%	0.178	C	C	.	.			trans	-70.5	141.8	174.6	31.5	-36.1	0	0	0	110.7	P474 F475 L492 L496 P514	P474-P494 CarbonylContact C-O 3.6Å; P474-P494 WeakPolarHBondContact CA-O 3.14Å; P474-P494 HydrophobicContact CB-CG 3.62Å; F475-P494 PolarHBondContact N-O 3.15Å; L492-P494 VanDerWaalsContact O-CD 3.27Å; L492-P494 WeakPolarHBondContact O-CD 3.27Å; P494-L496 HydrophobicContact CB-CD1 4.47Å; P494-P514 CarbonylContact C-O 3.07Å; P494-P514 WeakPolarHBondContact CA-O 3.39Å; P494-P514 HydrophobicContact CB-CG 3.75Å
495	I	84	Confident	83.9	Confident	23 Å²	23	30.1 Å²	30.1	12%	0.118	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	98.7	-171.2	-61.5	174.9	0	0	0	108.3	F475 N498 P514 S515 I516 S518	F475-I495 HydrophobicContact CD2-CG1 4.38Å; F475-I495 CarbonylContact O-C 3.6Å; F475-I495 WeakPolarHBondContact O-CA 3.2Å; I495-N498 HydrophobicContact CG2-CB 3.62Å; I495-P514 PolarHBondContact N-O 3.41Å; I495-S515 CarbonylContact O-C 3.48Å; I495-S515 WeakPolarHBondContact O-CA 3.39Å; I495-I516 PolarHBondContact O-N 3.41Å; I495-S518 PolarHBondContact O-OG 2.91Å
496	L	85.7	Confident	83.6	Confident	56 Å²	56	32.8 Å²	32.8	29%	0.293	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116	-166.2	-79.3	146.5	0	0	0	112.2	F475 I476 L477 P494 N498 I516	F475-L496 PolarHBondContact O-N 3.38Å; I476-L496 CarbonylContact C-O 3.35Å; I476-L496 WeakPolarHBondContact CA-O 3.22Å; I476-L496 HydrophobicContact CB-CB 4.47Å; I476-L496 HydrophobicContact CD1-CD1 4.33Å; I476-L496 HydrophobicContact CG1-CB 4.25Å; I476-L496 HydrophobicContact CG1-CD1 4.13Å; I476-L496 HydrophobicContact CG2-CB 4.24Å; L477-L496 PolarHBondContact N-O 3.48Å; P494-L496 HydrophobicContact CB-CD1 4.47Å; L496-N498 PolarHBondContact O-N 3.48Å; L496-N498 PolarHBondContact O-OD1 3.25Å; L496-N498 VanDerWaalsContact O-OD1 3.08Å; L496-I516 CarbonylContact C-O 3.4Å; L496-I516 VanDerWaalsContact CA-O 3.31Å; L496-I516 WeakPolarHBondContact CA-O 3.32Å; L496-I516 HydrophobicContact CD2-CB 3.79Å; L496-I516 HydrophobicContact CD2-CD1 3.86Å; L496-I516 HydrophobicContact CD2-CG1 4.44Å; L496-I516 HydrophobicContact CD2-CG2 3.9Å; L496-I516 HydrophobicContact CG-CB 4.39Å; L496-I516 HydrophobicContact CG-CD1 4.47Å
497	A	84	Confident	83.3	Confident	26 Å²	26	34.6 Å²	34.6	22%	0.215	20%	0.196	C	C	.	.	S	Bend	trans	57.2	28	179.6	0	0	0	0	0	114.5	L477 P499 I516 M517	L477-A497 HydrophobicContact CD2-CB 3.52Å; L477-A497 HydrophobicContact CG-CB 4.05Å; A497-P499 WeakPolarHBondContact O-CD 3.41Å; A497-I516 PolarHBondContact N-O 2.88Å; A497-M517 WeakPolarHBondContact CA-O 3.4Å; A497-M517 HydrophobicContact CB-CB 4.45Å
498	N	85.5	Confident	83.1	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.021	18%	0.175	C	C	.	.			trans	-96.9	114.1	178.4	-79	27	0	0	0	111.9	F475 L477 S478 I495 L496 S518	F475-N498 VanDerWaalsContact CB-ND2 3.29Å; F475-N498 WeakPolarHBondContact CB-ND2 3.3Å; L477-N498 PolarHBondContact N-OD1 2.88Å; S478-N498 PolarHBondContact N-OD1 3Å; S478-N498 PolarHBondContact O-ND2 3.15Å; S478-N498 PolarHBondContact OG-ND2 2.88Å; S478-N498 PolarHBondContact OG-OD1 2.77Å; I495-N498 HydrophobicContact CG2-CB 3.62Å; L496-N498 PolarHBondContact O-N 3.48Å; L496-N498 PolarHBondContact O-OD1 3.25Å; L496-N498 VanDerWaalsContact O-OD1 3.08Å; N498-S518 CarbonylContact O-C 3.35Å; N498-S518 WeakPolarHBondContact O-CA 3.26Å; N498-S518 WeakPolarHBondContact O-CB 3.19Å
499	P	85.2	Confident	82.9	Confident	5 Å²	5	32.9 Å²	32.9	3%	0.032	19%	0.19	C	C	.	.			trans	-78.9	155.8	167.8	33.9	-37.5	0	0	0	112.6	P479 M480 A497 P519 G604 S605 P606	P479-P499 HydrophobicContact CB-CG 3.44Å; P479-P499 VanDerWaalsContact CB-CG 3.44Å; M480-P499 PolarHBondContact N-O 2.96Å; A497-P499 WeakPolarHBondContact O-CD 3.41Å; P499-P519 VanDerWaalsContact CA-O 3.3Å; P499-P519 WeakPolarHBondContact CA-O 3.35Å; P499-G604 VanDerWaalsContact CG-CA 3.45Å; P499-S605 VanDerWaalsContact CG-N 3.31Å; P499-P606 HydrophobicContact CB-CG 3.84Å; P499-P606 HydrophobicContact CG-CG 3.94Å
500	S	83.3	Confident	82.5	Confident	8 Å²	8	31.5 Å²	31.5	6%	0.056	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	156.1	158.3	60.9	0	0	0	0	111	M480 P519 Q520 I521	M480-S500 WeakPolarHBondContact O-CA 3.32Å; S500-P519 PolarHBondContact N-O 2.89Å; S500-P519 VanDerWaalsContact N-O 3.11Å; S500-Q520 WeakPolarHBondContact O-CA 3.35Å; S500-Q520 WeakPolarHBondContact OG-CB 3.02Å; S500-I521 PolarHBondContact O-N 3.46Å; S500-I521 VanDerWaalsContact O-N 3.1Å
501	I	81.1	Confident	82.2	Confident	34 Å²	34	33.3 Å²	33.3	17%	0.174	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-69.1	151.6	-67	-164	0	0	0	108.5	I521 L522 T602 V603	I501-I521 HydrophobicContact CB-CB 4.08Å; I501-I521 HydrophobicContact CD1-CB 4.31Å; I501-I521 HydrophobicContact CD1-CD1 3.71Å; I501-I521 HydrophobicContact CD1-CG1 4.21Å; I501-I521 HydrophobicContact CG1-CB 3.8Å; I501-I521 HydrophobicContact CG1-CD1 3.81Å; I501-I521 HydrophobicContact CG1-CG1 3.76Å; I501-I521 HydrophobicContact CG2-CB 3.95Å; I501-I521 HydrophobicContact CG2-CG2 4.2Å; I501-L522 HydrophobicContact CG2-CB 4.29Å; I501-L522 CarbonylContact O-C 3.47Å; I501-L522 WeakPolarHBondContact O-CA 3.48Å; I501-L522 PolarHBondContact O-N 3.44Å; I501-T602 WeakPolarHBondContact CB-OG1 3.48Å; I501-T602 HydrophobicContact CD1-CG2 4.12Å; I501-T602 WeakPolarHBondContact CG2-OG1 3.2Å; I501-T602 PolarHBondContact N-O 2.6Å; I501-V603 HydrophobicContact CB-CB 4.42Å; I501-V603 HydrophobicContact CD1-CB 3.69Å; I501-V603 HydrophobicContact CD1-CG1 3.62Å; I501-V603 HydrophobicContact CD1-CG2 4.48Å; I501-V603 HydrophobicContact CG1-CB 3.59Å; I501-V603 HydrophobicContact CG1-CG1 3.47Å; I501-V603 VanDerWaalsContact CG1-CG1 3.47Å
502	V	77.3	Confident	81.8	Confident	29 Å²	29	36.1 Å²	36.1	18%	0.176	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	109.3	-174.5	-173.5	0	0	0	0	110.9	V482 A483 L504 L522 T602	V482-V502 HydrophobicContact CG2-CB 3.53Å; V482-V502 HydrophobicContact CG2-CG1 3.59Å; V482-V502 HydrophobicContact CG2-CG2 4.18Å; A483-V502 PolarHBondContact N-O 2.85Å; V502-L504 HydrophobicContact CG1-CD2 4.42Å; V502-L504 HydrophobicContact CG1-CG 4.28Å; V502-L522 WeakPolarHBondContact CA-O 2.94Å; V502-L522 HydrophobicContact CG1-CD2 4.49Å; V502-T602 PolarHBondContact N-O 2.93Å
503	S	76.1	Confident	81.6	Confident	13 Å²	13	32.4 Å²	32.4	9%	0.091	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	115.2	169.7	47.7	0	0	0	0	109.7	L522 V523 A524	S503-L522 PolarHBondContact N-O 2.74Å; S503-V523 WeakPolarHBondContact O-CA 3.23Å; S503-A524 PolarHBondContact O-N 2.9Å
504	L	78.6	Confident	81.4	Confident	63 Å²	63	33.8 Å²	33.8	33%	0.33	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113.6	176.9	-50.1	175.3	0	0	0	108.1	P484 S485 V502 A524	P484-L504 CarbonylContact C-O 3.59Å; P484-L504 VanDerWaalsContact CA-O 3.3Å; P484-L504 WeakPolarHBondContact CA-O 2.95Å; P484-L504 HydrophobicContact CB-CB 3.94Å; P484-L504 HydrophobicContact CB-CD1 4.44Å; P484-L504 HydrophobicContact CB-CG 4.43Å; S485-L504 PolarHBondContact N-O 2.94Å; V502-L504 HydrophobicContact CG1-CD2 4.42Å; V502-L504 HydrophobicContact CG1-CG 4.28Å; L504-A524 CarbonylContact C-O 3.6Å; L504-A524 WeakPolarHBondContact CA-O 3.3Å; L504-A524 HydrophobicContact CD2-CB 3.61Å
505	N	77.6	Confident	81.2	Confident	21 Å²	21	32.8 Å²	32.8	11%	0.112	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	109.1	-179.9	-74.7	-1.3	0	0	0	108.6	S485 S508 A524 T525 V526	S485-N505 PolarHBondContact OG-OD1 3.1Å; N505-S508 WeakPolarHBondContact CB-OG 3.41Å; N505-A524 PolarHBondContact N-O 2.88Å; N505-T525 HydrophobicContact CB-CG2 4.2Å; N505-V526 PolarHBondContact O-N 3.23Å
506	L	80	Confident	81	Confident	64 Å²	64	34.1 Å²	34.1	34%	0.335	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	108.4	-172	-79.9	158.1	0	0	0	109.9	S485 V486 L487 S508 V526	S485-L506 PolarHBondContact O-N 2.86Å; V486-L506 HydrophobicContact CG1-CB 4.42Å; V486-L506 HydrophobicContact CG2-CB 4.36Å; V486-L506 HydrophobicContact CG2-CD1 4.27Å; L487-L506 PolarHBondContact N-O 2.9Å; L506-S508 PolarHBondContact N-OG 2.85Å; L506-S508 PolarHBondContact O-N 2.87Å; L506-S508 VanDerWaalsContact O-N 3.14Å; L506-V526 HydrophobicContact CD2-CB 3.91Å; L506-V526 HydrophobicContact CD2-CG1 4.15Å
507	L	80.2	Confident	80.8	Confident	84 Å²	84	35.3 Å²	35.3	44%	0.44	20%	0.196	S	C	.	.	S	Bend	trans	53.4	32.6	-179.1	-68.2	71.7	0	0	0	112.8	L487 P509 V526 L527	L487-L507 HydrophobicContact CD2-CB 3.62Å; L487-L507 HydrophobicContact CD2-CD2 4.04Å; L487-L507 HydrophobicContact CD2-CG 4.5Å; L487-L507 HydrophobicContact CG-CB 4.39Å; L507-P509 WeakPolarHBondContact O-CD 3.47Å; L507-V526 PolarHBondContact N-O 2.8Å; L507-V526 VanDerWaalsContact N-O 3.16Å; L507-L527 HydrophobicContact CD1-CB 4.05Å; L507-L527 HydrophobicContact CD1-CD1 4.25Å; L507-L527 HydrophobicContact CG-CB 4.16Å
508	S	82	Confident	80.7	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.			trans	-107.5	83.2	-176	55.8	0	0	0	0	110.2	S485 S488 N505 L506 S528	S485-S508 PolarHBondContact OG-OG 2.95Å; S488-S508 WeakPolarHBondContact O-CB 3.4Å; N505-S508 WeakPolarHBondContact CB-OG 3.41Å; L506-S508 PolarHBondContact N-OG 2.85Å; L506-S508 PolarHBondContact O-N 2.87Å; L506-S508 VanDerWaalsContact O-N 3.14Å; S508-S528 WeakPolarHBondContact O-CB 3.27Å
509	P	81.6	Confident	80.5	Confident	50 Å²	50	34.3 Å²	34.3	33%	0.325	19%	0.187	S	C	.	.			trans	-64.8	140.3	-175	28.2	-36.3	0	0	0	111.2	P489 M490 L507 P529	P489-P509 HydrophobicContact CB-CG 3.82Å; M490-P509 PolarHBondContact N-O 3.08Å; L507-P509 WeakPolarHBondContact O-CD 3.47Å; P509-P529 WeakPolarHBondContact CA-O 2.91Å; P509-P529 HydrophobicContact CB-CG 3.99Å
510	M	78.6	Confident	80.1	Confident	26 Å²	26	36 Å²	36	13%	0.128	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.4	-174.5	-59.3	-179.3	71.3	0	0	110.8	M490 C513 P529 S530 A531	M490-M510 HydrophobicContact CB-CG 4.35Å; M490-M510 CarbonylContact O-C 3.53Å; M490-M510 WeakPolarHBondContact O-CA 3.3Å; M490-M510 HydrophobicContact SD-CE 4.12Å; M490-M510 HydrophobicContact SD-CG 4.48Å; M510-C513 HydrophobicContact CE-CB 3.96Å; M510-P529 PolarHBondContact N-O 2.83Å; M510-S530 CarbonylContact O-C 3.09Å; M510-S530 VanDerWaalsContact O-CA 3.3Å; M510-S530 WeakPolarHBondContact O-CA 3.03Å; M510-A531 PolarHBondContact O-N 3.41Å
511	T	81.7	Confident	79.7	Confident	57 Å²	57	38.5 Å²	38.5	35%	0.35	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133.7	177.1	56.5	0	0	0	0	110.7	M490 A491 L492 C513 A531	M490-T511 PolarHBondContact O-N 3.12Å; M490-T511 PolarHBondContact O-OG1 2.9Å; A491-T511 CarbonylContact C-O 3.54Å; A491-T511 VanDerWaalsContact CA-O 3.28Å; A491-T511 WeakPolarHBondContact CA-O 3.49Å; A491-T511 WeakPolarHBondContact CA-OG1 3.44Å; A491-T511 WeakPolarHBondContact CB-OG1 3.31Å; L492-T511 PolarHBondContact N-O 3.39Å; T511-C513 VanDerWaalsContact C-N 3.29Å; T511-C513 PolarHBondContact O-N 3.16Å; T511-C513 PolarHBondContact O-SG 2.97Å; T511-A531 CarbonylContact C-O 3.5Å; T511-A531 VanDerWaalsContact CA-O 3.28Å; T511-A531 WeakPolarHBondContact CA-O 3.35Å
512	H	79.2	Confident	79.2	Confident	81 Å²	81	41 Å²	41	38%	0.375	22%	0.22	S	C	.	.	S	Bend	trans	51.6	42.2	179.8	-58.9	-80.8	0	0	0	114.3	L492 N493 P514 A531 Y532	L492-H512 CarbonylContact C-O 3.15Å; L492-H512 VanDerWaalsContact CA-O 3.3Å; L492-H512 WeakPolarHBondContact CA-O 3.39Å; L492-H512 HydrophobicContact CD2-CB 3.63Å; L492-H512 HydrophobicContact CG-CB 4.06Å; N493-H512 PolarHBondContact N-O 2.82Å; H512-P514 WeakPolarHBondContact O-CD 3.36Å; H512-A531 PolarHBondContact N-O 2.03Å; H512-Y532 VanDerWaalsContact CA-O 3.3Å; H512-Y532 WeakPolarHBondContact CA-O 3.33Å; H512-Y532 AromaticContact CE1-CD1 3.66Å; H512-Y532 AromaticContact CE1-CD2 3.53Å; H512-Y532 AromaticContact CE1-CG 3.32Å; H512-Y532 VanDerWaalsContact ND1-CB 3.31Å; H512-Y532 WeakPolarHBondContact ND1-CB 3.31Å; H512-Y532 AromaticContact ND1-CG 3.65Å; H512-Y532 AromaticContact NE2-CD2 3.65Å; H512-Y532 AromaticContact NE2-CG 3.91Å
513	C	80.5	Confident	78.8	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.014	21%	0.213	C	C	.	.			trans	-114	66.5	-178.5	-63.3	0	0	0	0	112.1	N493 M510 T511 S533	N493-C513 VanDerWaalsContact O-CA 3.27Å; N493-C513 WeakPolarHBondContact O-CA 3.42Å; N493-C513 WeakPolarHBondContact O-CB 3.43Å; M510-C513 HydrophobicContact CE-CB 3.96Å; T511-C513 VanDerWaalsContact C-N 3.29Å; T511-C513 PolarHBondContact O-N 3.16Å; T511-C513 PolarHBondContact O-SG 2.97Å; C513-S533 WeakPolarHBondContact O-CA 3.49Å; C513-S533 WeakPolarHBondContact O-CB 3.48Å
514	P	81.9	Confident	78.4	Confident	29 Å²	29	40.1 Å²	40.1	19%	0.188	22%	0.216	C	C	.	.			trans	-68.7	135.5	-177.1	28.8	-35.4	0	0	0	112.1	P494 I495 H512 P534	P494-P514 CarbonylContact C-O 3.07Å; P494-P514 WeakPolarHBondContact CA-O 3.39Å; P494-P514 HydrophobicContact CB-CG 3.75Å; I495-P514 PolarHBondContact N-O 3.41Å; H512-P514 WeakPolarHBondContact O-CD 3.36Å; P514-P534 CarbonylContact C-O 3.5Å; P514-P534 VanDerWaalsContact CA-O 3.25Å; P514-P534 WeakPolarHBondContact CA-O 3.07Å; P514-P534 HydrophobicContact CB-CG 3.99Å; P514-P534 WeakPolarHBondContact CB-O 3.07Å
515	S	80.4	Confident	78	Confident	13 Å²	13	38.2 Å²	38.2	9%	0.091	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	92.8	-178.3	48.3	0	0	0	0	111.3	I495 S518 P534 S535 I536 S538	I495-S515 CarbonylContact O-C 3.48Å; I495-S515 WeakPolarHBondContact O-CA 3.39Å; S515-S518 VanDerWaalsContact CA-OG 3.27Å; S515-S518 WeakPolarHBondContact CA-OG 3.11Å; S515-S518 WeakPolarHBondContact CB-OG 3.37Å; S515-S518 PolarHBondContact O-OG 3.47Å; S515-P534 PolarHBondContact N-O 2.83Å; S515-S535 CarbonylContact O-C 3.56Å; S515-S535 WeakPolarHBondContact O-CA 3.35Å; S515-S535 VanDerWaalsContact OG-CA 3.31Å; S515-S535 WeakPolarHBondContact OG-CA 3.36Å; S515-S535 WeakPolarHBondContact OG-CB 3.23Å; S515-I536 PolarHBondContact O-N 3.08Å; S515-S538 PolarHBondContact O-OG 3.24Å
516	I	81.6	Confident	77.6	Confident	51 Å²	51	39 Å²	39	26%	0.262	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.8	-176.7	-60.1	160.8	0	0	0	110.7	I495 L496 A497 S518 I536	I495-I516 PolarHBondContact O-N 3.41Å; L496-I516 CarbonylContact C-O 3.4Å; L496-I516 VanDerWaalsContact CA-O 3.31Å; L496-I516 WeakPolarHBondContact CA-O 3.32Å; L496-I516 HydrophobicContact CD2-CB 3.79Å; L496-I516 HydrophobicContact CD2-CD1 3.86Å; L496-I516 HydrophobicContact CD2-CG1 4.44Å; L496-I516 HydrophobicContact CD2-CG2 3.9Å; L496-I516 HydrophobicContact CG-CB 4.39Å; L496-I516 HydrophobicContact CG-CD1 4.47Å; A497-I516 PolarHBondContact N-O 2.88Å; I516-S518 PolarHBondContact N-OG 3.16Å; I516-S518 PolarHBondContact O-N 2.91Å; I516-S518 VanDerWaalsContact O-N 3.12Å; I516-S518 PolarHBondContact O-OG 3.04Å; I516-I536 CarbonylContact C-O 3.55Å; I516-I536 VanDerWaalsContact CA-O 3.24Å; I516-I536 WeakPolarHBondContact CA-O 3.36Å; I516-I536 HydrophobicContact CG1-CB 4.12Å; I516-I536 HydrophobicContact CG1-CD1 4.13Å
517	M	80.8	Confident	77.1	Confident	81 Å²	81	40.5 Å²	40.5	40%	0.399	22%	0.221	S	C	.	.	S	Bend	trans	55.2	24.5	-179.7	-68.8	177.8	63.3	0	0	114.3	A497 P519 I536 N537 P606	A497-M517 WeakPolarHBondContact CA-O 3.4Å; A497-M517 HydrophobicContact CB-CB 4.45Å; M517-P519 VanDerWaalsContact C-CD 3.43Å; M517-P519 WeakPolarHBondContact O-CD 3.48Å; M517-I536 PolarHBondContact N-O 3.23Å; M517-N537 WeakPolarHBondContact CA-O 3.35Å; M517-N537 HydrophobicContact CG-CB 3.71Å; M517-P606 WeakPolarHBondContact O-CB 3.3Å
518	S	81.1	Confident	76.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.			trans	-115.2	73.5	-170.9	30.9	0	0	0	0	112.1	I495 N498 S515 I516 Q520 S538	I495-S518 PolarHBondContact O-OG 2.91Å; N498-S518 CarbonylContact O-C 3.35Å; N498-S518 WeakPolarHBondContact O-CA 3.26Å; N498-S518 WeakPolarHBondContact O-CB 3.19Å; S515-S518 VanDerWaalsContact CA-OG 3.27Å; S515-S518 WeakPolarHBondContact CA-OG 3.11Å; S515-S518 WeakPolarHBondContact CB-OG 3.37Å; S515-S518 PolarHBondContact O-OG 3.47Å; I516-S518 PolarHBondContact N-OG 3.16Å; I516-S518 PolarHBondContact O-N 2.91Å; I516-S518 VanDerWaalsContact O-N 3.12Å; I516-S518 PolarHBondContact O-OG 3.04Å; S518-Q520 WeakPolarHBondContact O-CG 3.21Å; S518-S538 VanDerWaalsContact C-CB 3.44Å; S518-S538 VanDerWaalsContact O-CB 3.23Å; S518-S538 WeakPolarHBondContact O-CB 3.41Å
519	P	82.7	Confident	76	Confident	9 Å²	9	40.5 Å²	40.5	6%	0.058	23%	0.226	C	C	.	.			trans	-72.6	158	179.9	32.7	-37.1	0	0	0	112.8	P499 S500 M517 S539 P606	P499-P519 VanDerWaalsContact CA-O 3.3Å; P499-P519 WeakPolarHBondContact CA-O 3.35Å; S500-P519 PolarHBondContact N-O 2.89Å; S500-P519 VanDerWaalsContact N-O 3.11Å; M517-P519 VanDerWaalsContact C-CD 3.43Å; M517-P519 WeakPolarHBondContact O-CD 3.48Å; P519-S539 CarbonylContact C-O 3.56Å; P519-S539 WeakPolarHBondContact CA-O 3.38Å; P519-S539 WeakPolarHBondContact CB-O 3.42Å; P519-S539 WeakPolarHBondContact CB-OG 3.37Å; P519-P606 HydrophobicContact CG-CB 3.76Å; P519-P606 HydrophobicContact CG-CG 4.32Å
520	Q	77	Confident	75.3	Confident	41 Å²	41	40.3 Å²	40.3	19%	0.192	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	140	-164.5	-43.1	-174.1	-61.3	0	0	108.2	S500 S518 V523 S539 C540 T541	S500-Q520 WeakPolarHBondContact O-CA 3.35Å; S500-Q520 WeakPolarHBondContact OG-CB 3.02Å; S518-Q520 WeakPolarHBondContact O-CG 3.21Å; Q520-V523 HydrophobicContact CB-CG2 3.34Å; Q520-V523 HydrophobicContact CG-CG2 4.2Å; Q520-S539 PolarHBondContact N-O 2.76Å; Q520-C540 CarbonylContact O-C 3.43Å; Q520-C540 WeakPolarHBondContact O-CA 3.03Å; Q520-C540 PolarHBondContact O-SG 3.19Å; Q520-T541 PolarHBondContact O-N 3.05Å
521	I	74.1	Confident	74.8	Confident	61 Å²	61	40.5 Å²	40.5	31%	0.313	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-81.8	178.3	-53.8	-157.6	0	0	0	109.8	S500 I501 V523 T541 G542	S500-I521 PolarHBondContact O-N 3.46Å; S500-I521 VanDerWaalsContact O-N 3.1Å; I501-I521 HydrophobicContact CB-CB 4.08Å; I501-I521 HydrophobicContact CD1-CB 4.31Å; I501-I521 HydrophobicContact CD1-CD1 3.71Å; I501-I521 HydrophobicContact CD1-CG1 4.21Å; I501-I521 HydrophobicContact CG1-CB 3.8Å; I501-I521 HydrophobicContact CG1-CD1 3.81Å; I501-I521 HydrophobicContact CG1-CG1 3.76Å; I501-I521 HydrophobicContact CG2-CB 3.95Å; I501-I521 HydrophobicContact CG2-CG2 4.2Å; I521-V523 PolarHBondContact O-N 3.12Å; I521-T541 WeakPolarHBondContact CA-OG1 3.35Å; I521-T541 VanDerWaalsContact CG1-OG1 3.29Å; I521-T541 WeakPolarHBondContact CG1-OG1 3.42Å; I521-T541 VanDerWaalsContact CG2-O 3.32Å; I521-T541 WeakPolarHBondContact CG2-O 3.46Å; I521-T541 WeakPolarHBondContact CG2-OG1 3.28Å; I521-T541 CarbonylContact O-C 3.21Å; I521-G542 CarbonylContact O-C 3.55Å; I521-G542 WeakPolarHBondContact O-CA 3.17Å; I521-G542 PolarHBondContact O-N 3.14Å; I521-G542 VanDerWaalsContact O-N 3.08Å
522	L	69.6	Low	74.1	Confident	86 Å²	86	43 Å²	43	45%	0.45	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	85.2	-177.8	-163.7	145.6	0	0	0	111.2	I501 V502 S503	I501-L522 HydrophobicContact CG2-CB 4.29Å; I501-L522 CarbonylContact O-C 3.47Å; I501-L522 WeakPolarHBondContact O-CA 3.48Å; I501-L522 PolarHBondContact O-N 3.44Å; V502-L522 WeakPolarHBondContact CA-O 2.94Å; V502-L522 HydrophobicContact CG1-CD2 4.49Å; S503-L522 PolarHBondContact N-O 2.74Å
523	V	69.2	Low	73.6	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.03	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	133.6	173.9	-170.2	0	0	0	0	109.1	S503 Q520 I521 T525 G542 L544	S503-V523 WeakPolarHBondContact O-CA 3.23Å; Q520-V523 HydrophobicContact CB-CG2 3.34Å; Q520-V523 HydrophobicContact CG-CG2 4.2Å; I521-V523 PolarHBondContact O-N 3.12Å; V523-T525 HydrophobicContact CG1-CG2 3.82Å; V523-G542 PolarHBondContact N-O 3.11Å; V523-L544 PolarHBondContact O-N 3.35Å
524	A	68.9	Low	73	Confident	18 Å²	18	41 Å²	41	15%	0.149	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.4	161.1	0	0	0	0	0	109.8	S503 L504 N505 L544	S503-A524 PolarHBondContact O-N 2.9Å; L504-A524 CarbonylContact C-O 3.6Å; L504-A524 WeakPolarHBondContact CA-O 3.3Å; L504-A524 HydrophobicContact CD2-CB 3.61Å; N505-A524 PolarHBondContact N-O 2.88Å; A524-L544 VanDerWaalsContact CA-O 3.3Å; A524-L544 WeakPolarHBondContact CA-O 3.23Å; A524-L544 HydrophobicContact CB-CB 4.48Å
525	T	68.7	Low	72.4	Confident	24 Å²	24	39.8 Å²	39.8	15%	0.147	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.7	173.7	64.5	0	0	0	0	108.8	N505 V523 S528 L544 V545 Q546	N505-T525 HydrophobicContact CB-CG2 4.2Å; V523-T525 HydrophobicContact CG1-CG2 3.82Å; T525-S528 WeakPolarHBondContact CB-OG 3.32Å; T525-L544 PolarHBondContact N-O 3.01Å; T525-V545 WeakPolarHBondContact OG1-CA 3.46Å; T525-Q546 PolarHBondContact O-N 3.15Å
526	V	70.1	Confident	71.9	Confident	36 Å²	36	41.8 Å²	41.8	22%	0.218	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	115.1	-172.1	179.7	0	0	0	0	108.9	N505 L506 L507 S528 Q546	N505-V526 PolarHBondContact O-N 3.23Å; L506-V526 HydrophobicContact CD2-CB 3.91Å; L506-V526 HydrophobicContact CD2-CG1 4.15Å; L507-V526 PolarHBondContact N-O 2.8Å; L507-V526 VanDerWaalsContact N-O 3.16Å; V526-S528 PolarHBondContact O-N 2.78Å; V526-S528 VanDerWaalsContact O-N 3.12Å; V526-Q546 HydrophobicContact CG2-CB 4.37Å
527	L	69.8	Low	71.4	Confident	96 Å²	96	40.7 Å²	40.7	50%	0.503	23%	0.226	S	C	.	.	S	Bend	trans	54.5	27.3	-178.9	-56.2	173.5	0	0	0	114	L507 P529	L507-L527 HydrophobicContact CD1-CB 4.05Å; L507-L527 HydrophobicContact CD1-CD1 4.25Å; L507-L527 HydrophobicContact CG-CB 4.16Å; L527-P529 VanDerWaalsContact O-CD 3.26Å; L527-P529 WeakPolarHBondContact O-CD 3.4Å
528	S	68.4	Low	70.9	Confident	13 Å²	13	37 Å²	37	9%	0.091	21%	0.208	C	C	.	.			trans	-108.4	88.2	-179.6	58.3	0	0	0	0	110.5	S508 T525 V526	S508-S528 WeakPolarHBondContact O-CB 3.27Å; T525-S528 WeakPolarHBondContact CB-OG 3.32Å; V526-S528 PolarHBondContact O-N 2.78Å; V526-S528 VanDerWaalsContact O-N 3.12Å
529	P	69.5	Low	70.4	Confident	71 Å²	71	38 Å²	38	46%	0.461	22%	0.215	S	C	.	.			trans	-68.7	135	-175.8	27.4	-34.2	0	0	0	111.4	P509 M510 L527	P509-P529 WeakPolarHBondContact CA-O 2.91Å; P509-P529 HydrophobicContact CB-CG 3.99Å; M510-P529 PolarHBondContact N-O 2.83Å; L527-P529 VanDerWaalsContact O-CD 3.26Å; L527-P529 WeakPolarHBondContact O-CD 3.4Å
530	S	68.1	Low	69.7	Low	47 Å²	47	37.7 Å²	37.7	33%	0.329	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.4	-176.6	61.3	0	0	0	0	112.3	M510	M510-S530 CarbonylContact O-C 3.09Å; M510-S530 VanDerWaalsContact O-CA 3.3Å; M510-S530 WeakPolarHBondContact O-CA 3.03Å
531	A	67.5	Low	69.1	Low	30 Å²	30	38.1 Å²	38.1	25%	0.248	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.5	174.8	0	0	0	0	0	111.4	M510 T511 H512 S533	M510-A531 PolarHBondContact O-N 3.41Å; T511-A531 CarbonylContact C-O 3.5Å; T511-A531 VanDerWaalsContact CA-O 3.28Å; T511-A531 WeakPolarHBondContact CA-O 3.35Å; H512-A531 PolarHBondContact N-O 2.03Å; A531-S533 PolarHBondContact O-N 2.03Å; A531-S533 VanDerWaalsContact O-N 3.08Å
532	Y	66.2	Low	68.2	Low	110 Å²	110	36.4 Å²	36.4	43%	0.431	22%	0.216	S	C	.	.	S	Bend	trans	53.3	26.9	-179.9	-57.3	-91.6	0	0	0	115	H512 P534 M931	H512-Y532 VanDerWaalsContact CA-O 3.3Å; H512-Y532 WeakPolarHBondContact CA-O 3.33Å; H512-Y532 AromaticContact CE1-CD1 3.66Å; H512-Y532 AromaticContact CE1-CD2 3.53Å; H512-Y532 AromaticContact CE1-CG 3.32Å; H512-Y532 VanDerWaalsContact ND1-CB 3.31Å; H512-Y532 WeakPolarHBondContact ND1-CB 3.31Å; H512-Y532 AromaticContact ND1-CG 3.65Å; H512-Y532 AromaticContact NE2-CD2 3.65Å; H512-Y532 AromaticContact NE2-CG 3.91Å; Y532-P534 WeakPolarHBondContact O-CD 3.05Å; Y532-M931 WeakPolarHBondContact CA-O 3.26Å; Y532-M931 HydrophobicContact CD1-CB 4.24Å; Y532-M931 HydrophobicContact CD1-CE 4.11Å; Y532-M931 HydrophobicContact CD1-SD 4.03Å; Y532-M931 HydrophobicContact CD2-CB 4.5Å; Y532-M931 HydrophobicContact CE1-CB 4.41Å; Y532-M931 HydrophobicContact CE1-CE 3.53Å; Y532-M931 HydrophobicContact CE1-CG 4.43Å; Y532-M931 HydrophobicContact CE1-SD 3.25Å; Y532-M931 WeakPolarHBondContact CE1-SD 3.44Å; Y532-M931 HydrophobicContact CE2-SD 4.06Å; Y532-M931 HydrophobicContact CG-CB 4.31Å; Y532-M931 PolarHBondContact N-O 3.31Å; Y532-M931 PolarHBondContact OH-SD 3.19Å; Y532-M931 VanDerWaalsContact OH-SD 3.32Å
533	S	69.2	Low	67.8	Low	13 Å²	13	32.4 Å²	32.4	9%	0.091	20%	0.195	C	C	.	.			trans	-111.1	57.1	-179.5	55.4	0	0	0	0	112.9	C513 A531 S932	C513-S533 WeakPolarHBondContact O-CA 3.49Å; C513-S533 WeakPolarHBondContact O-CB 3.48Å; A531-S533 PolarHBondContact O-N 2.03Å; A531-S533 VanDerWaalsContact O-N 3.08Å; S533-S932 WeakPolarHBondContact OG-CB 3.34Å
534	P	67.9	Low	67.1	Low	26 Å²	26	36 Å²	36	17%	0.169	21%	0.213	C	C	.	.			trans	-67.8	141.2	-176.8	29.8	-37.1	0	0	0	112.7	P514 S515 Y532 P933	P514-P534 CarbonylContact C-O 3.5Å; P514-P534 VanDerWaalsContact CA-O 3.25Å; P514-P534 WeakPolarHBondContact CA-O 3.07Å; P514-P534 HydrophobicContact CB-CG 3.99Å; P514-P534 WeakPolarHBondContact CB-O 3.07Å; S515-P534 PolarHBondContact N-O 2.83Å; Y532-P534 WeakPolarHBondContact O-CD 3.05Å; P534-P933 VanDerWaalsContact CA-O 3.27Å; P534-P933 WeakPolarHBondContact CA-O 3.37Å; P534-P933 HydrophobicContact CB-CG 4.48Å; P534-P933 WeakPolarHBondContact CB-O 3.43Å
535	S	69.7	Low	66.3	Low	5 Å²	5	35.8 Å²	35.8	4%	0.035	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.6	178.2	-15	0	0	0	0	110.3	S515 S538 P933 Y934 I935	S515-S535 CarbonylContact O-C 3.56Å; S515-S535 WeakPolarHBondContact O-CA 3.35Å; S515-S535 VanDerWaalsContact OG-CA 3.31Å; S515-S535 WeakPolarHBondContact OG-CA 3.36Å; S515-S535 WeakPolarHBondContact OG-CB 3.23Å; S535-S538 WeakPolarHBondContact CB-OG 3.48Å; S535-P933 PolarHBondContact N-O 2.9Å; S535-Y934 CarbonylContact O-C 3.3Å; S535-Y934 VanDerWaalsContact O-C 3.3Å; S535-Y934 WeakPolarHBondContact O-CA 3.47Å; S535-Y934 WeakPolarHBondContact OG-CD1 3.41Å; S535-Y934 WeakPolarHBondContact OG-CD2 3.39Å; S535-Y934 WeakPolarHBondContact OG-CE1 3.48Å; S535-Y934 WeakPolarHBondContact OG-CE2 3.42Å; S535-Y934 VanDerWaalsContact OG-CG 3.22Å; S535-Y934 VanDerWaalsContact OG-CZ 3.28Å; S535-I935 CarbonylContact O-C 3.35Å; S535-I935 PolarHBondContact O-N 3.22Å
536	I	70.2	Confident	65.3	Low	55 Å²	55	37.9 Å²	37.9	28%	0.282	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117.2	-171.3	-57	171.5	0	0	0	109.5	S515 I516 M517 S538 I935 R936	S515-I536 PolarHBondContact O-N 3.08Å; I516-I536 CarbonylContact C-O 3.55Å; I516-I536 VanDerWaalsContact CA-O 3.24Å; I516-I536 WeakPolarHBondContact CA-O 3.36Å; I516-I536 HydrophobicContact CG1-CB 4.12Å; I516-I536 HydrophobicContact CG1-CD1 4.13Å; M517-I536 PolarHBondContact N-O 3.23Å; I536-S538 PolarHBondContact N-OG 3.05Å; I536-S538 VanDerWaalsContact N-OG 3.1Å; I536-S538 PolarHBondContact O-N 3.41Å; I536-I935 WeakPolarHBondContact CA-O 3.43Å; I536-I935 WeakPolarHBondContact CB-O 3.35Å; I536-I935 WeakPolarHBondContact CG1-O 3.48Å; I536-I935 WeakPolarHBondContact CG2-O 3.04Å; I536-R936 HydrophobicContact CG2-CB 4.24Å
537	N	71.9	Confident	63.9	Low	27 Å²	27	40.9 Å²	40.9	14%	0.144	23%	0.233	C	C	.	.	S	Bend	trans	63.4	22.6	179.7	-135.1	47.3	0	0	0	114.6	M517 L609 R936	M517-N537 WeakPolarHBondContact CA-O 3.35Å; M517-N537 HydrophobicContact CG-CB 3.71Å; N537-L609 VanDerWaalsContact OD1-CA 3.23Å; N537-L609 WeakPolarHBondContact OD1-CA 3.3Å; N537-L609 PolarHBondContact OD1-N 2.71Å; N537-R936 WeakPolarHBondContact CA-O 3.27Å; N537-R936 HydrophobicContact CB-CG 4.37Å; N537-R936 PolarHBondContact N-O 3.03Å
538	S	69.3	Low	62.3	Low	4 Å²	4	40.3 Å²	40.3	3%	0.028	23%	0.229	C	C	.	.			trans	-118.3	95.2	-173.7	32.7	0	0	0	0	111.5	S515 S518 S535 I536 S937	S515-S538 PolarHBondContact O-OG 3.24Å; S518-S538 VanDerWaalsContact C-CB 3.44Å; S518-S538 VanDerWaalsContact O-CB 3.23Å; S518-S538 WeakPolarHBondContact O-CB 3.41Å; S535-S538 WeakPolarHBondContact CB-OG 3.48Å; I536-S538 PolarHBondContact N-OG 3.05Å; I536-S538 VanDerWaalsContact N-OG 3.1Å; I536-S538 PolarHBondContact O-N 3.41Å; S538-S937 WeakPolarHBondContact O-CB 3.16Å
539	S	71.1	Confident	60.9	Low	22 Å²	22	46 Å²	46	15%	0.154	25%	0.254	C	S	.	.			trans	-64.5	139.1	174.7	46.4	0	0	0	0	112.6	P519 Q520 N938	P519-S539 CarbonylContact C-O 3.56Å; P519-S539 WeakPolarHBondContact CA-O 3.38Å; P519-S539 WeakPolarHBondContact CB-O 3.42Å; P519-S539 WeakPolarHBondContact CB-OG 3.37Å; Q520-S539 PolarHBondContact N-O 2.76Å; S539-N938 WeakPolarHBondContact CB-O 3.32Å
540	C	67.6	Low	59.1	Low	1 Å²	1	47.1 Å²	47.1	1%	0.007	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-108.2	143.1	164.5	-161.2	0	0	0	0	111.4	Q520 C543 C939 S940	Q520-C540 CarbonylContact O-C 3.43Å; Q520-C540 WeakPolarHBondContact O-CA 3.03Å; Q520-C540 PolarHBondContact O-SG 3.19Å; C540-C543 HydrophobicContact CB-CB 4.03Å; C540-C543 WeakPolarHBondContact CB-SG 3.28Å; C540-C543 VanDerWaalsContact SG-CA 3.6Å; C540-C543 WeakPolarHBondContact SG-CB 3.44Å; C540-C543 PolarHBondContact SG-N 2.86Å; C540-C543 VanDerWaalsContact SG-N 3.44Å; C540-C543 CovalentContact SG-SG 2.03Å; C540-C543 PolarHBondContact SG-SG 3.35Å; C540-C939 WeakPolarHBondContact O-CA 3.43Å; C540-C939 PolarHBondContact O-SG 3.13Å; C540-S940 PolarHBondContact O-N 3.4Å; C540-S940 VanDerWaalsContact O-N 3.16Å
541	T	63.2	Low	57.7	Low	50 Å²	50	48.5 Å²	48.5	31%	0.307	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	56.1	-175.7	60.1	0	0	0	0	112	Q520 I521 S940	Q520-T541 PolarHBondContact O-N 3.05Å; I521-T541 WeakPolarHBondContact CA-OG1 3.35Å; I521-T541 VanDerWaalsContact CG1-OG1 3.29Å; I521-T541 WeakPolarHBondContact CG1-OG1 3.42Å; I521-T541 VanDerWaalsContact CG2-O 3.32Å; I521-T541 WeakPolarHBondContact CG2-O 3.46Å; I521-T541 WeakPolarHBondContact CG2-OG1 3.28Å; I521-T541 CarbonylContact O-C 3.21Å; T541-S940 WeakPolarHBondContact CG2-OG 3.47Å
542	G	56.7	Low	56.5	Low	25 Å²	25	52.9 Å²	52.9	26%	0.258	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	138.3	27.8	-173	0	0	0	0	0	114	I521 V523 L544 A941	I521-G542 CarbonylContact O-C 3.55Å; I521-G542 WeakPolarHBondContact O-CA 3.17Å; I521-G542 PolarHBondContact O-N 3.14Å; I521-G542 VanDerWaalsContact O-N 3.08Å; V523-G542 PolarHBondContact N-O 3.11Å; G542-L544 PolarHBondContact O-N 3.33Å; G542-A941 PolarHBondContact N-O 2.85Å
543	C	59.7	Low	55.5	Low	2 Å²	2	50.3 Å²	50.3	1%	0.014	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	121.2	177.5	-88.7	0	0	0	0	111.1	C540 A941 A943	C540-C543 HydrophobicContact CB-CB 4.03Å; C540-C543 WeakPolarHBondContact CB-SG 3.28Å; C540-C543 VanDerWaalsContact SG-CA 3.6Å; C540-C543 WeakPolarHBondContact SG-CB 3.44Å; C540-C543 PolarHBondContact SG-N 2.86Å; C540-C543 VanDerWaalsContact SG-N 3.44Å; C540-C543 CovalentContact SG-SG 2.03Å; C540-C543 PolarHBondContact SG-SG 3.35Å; C543-A941 PolarHBondContact N-O 3.25Å; C543-A941 VanDerWaalsContact N-O 3.15Å; C543-A943 CarbonylContact O-C 3.43Å; C543-A943 WeakPolarHBondContact O-CA 3.47Å; C543-A943 PolarHBondContact O-N 2.83Å
544	L	54.9	Low	54.4	Low	80 Å²	80	51.8 Å²	51.8	42%	0.419	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	99.9	165.3	-79.3	165	0	0	0	109.1	V523 A524 T525 G542 A943 I945	V523-L544 PolarHBondContact O-N 3.35Å; A524-L544 VanDerWaalsContact CA-O 3.3Å; A524-L544 WeakPolarHBondContact CA-O 3.23Å; A524-L544 HydrophobicContact CB-CB 4.48Å; T525-L544 PolarHBondContact N-O 3.01Å; G542-L544 PolarHBondContact O-N 3.33Å; L544-A943 WeakPolarHBondContact CA-O 3.37Å; L544-A943 HydrophobicContact CD2-CB 3.87Å; L544-I945 HydrophobicContact CD2-CD1 3.84Å
545	V	53.7	Low	54.2	Low	15 Å²	15	54.1 Å²	54.1	9%	0.091	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	101.5	177.8	174.9	0	0	0	0	108.6	T525 I547 A943 F944 I945	T525-V545 WeakPolarHBondContact OG1-CA 3.46Å; V545-I547 HydrophobicContact CG1-CD1 3.84Å; V545-I547 HydrophobicContact CG1-CG1 3.89Å; V545-A943 PolarHBondContact N-O 2.67Å; V545-F944 HydrophobicContact CB-CD1 3.65Å; V545-F944 HydrophobicContact CB-CE1 4.14Å; V545-F944 HydrophobicContact CG1-CD1 3.92Å; V545-F944 HydrophobicContact CG1-CE1 4.38Å; V545-F944 HydrophobicContact CG2-CD1 3.83Å; V545-F944 HydrophobicContact CG2-CE1 3.79Å; V545-I945 CarbonylContact O-C 3.6Å; V545-I945 WeakPolarHBondContact O-CA 3.35Å; V545-I945 PolarHBondContact O-N 3.34Å
546	Q	46.2	Very low	53.7	Low	68 Å²	68	59.5 Å²	59.5	32%	0.318	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	93.5	175.7	-86.6	-174.6	-28.5	0	0	110.9	T525 V526 L548 I945	T525-Q546 PolarHBondContact O-N 3.15Å; V526-Q546 HydrophobicContact CG2-CB 4.37Å; Q546-L548 HydrophobicContact CB-CD1 4.28Å; Q546-L548 HydrophobicContact CG-CD1 4.11Å; Q546-I945 WeakPolarHBondContact CA-O 3.17Å; Q546-I945 HydrophobicContact CG-CB 3.99Å; Q546-I945 HydrophobicContact CG-CG2 4.26Å
547	I	41.8	Very low	53.4	Low	99 Å²	99	64 Å²	64	51%	0.508	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	84.9	167.8	-60.4	168.5	0	0	0	105.6	V545 E549 I945 G946 S947	V545-I547 HydrophobicContact CG1-CD1 3.84Å; V545-I547 HydrophobicContact CG1-CG1 3.89Å; I547-E549 PolarHBondContact O-N 2.99Å; I547-I945 PolarHBondContact N-O 2.74Å; I547-G946 CarbonylContact O-C 3.59Å; I547-G946 VanDerWaalsContact O-CA 3.32Å; I547-G946 WeakPolarHBondContact O-CA 3.33Å; I547-S947 PolarHBondContact O-N 2.9Å
548	L	36.4	Very low	52.8	Low	83 Å²	83	66.3 Å²	66.3	44%	0.435	35%	0.349	S	S	.	.			trans	-86.7	55.7	-160.2	-122.6	153.1	0	0	0	113.6	Q546 S947	Q546-L548 HydrophobicContact CB-CD1 4.28Å; Q546-L548 HydrophobicContact CG-CD1 4.11Å; L548-S947 CarbonylContact C-O 3.57Å; L548-S947 WeakPolarHBondContact CA-O 3.32Å; L548-S947 WeakPolarHBondContact CD2-O 3.31Å; L548-S947 WeakPolarHBondContact CG-O 3.21Å
549	E	38.3	Very low	51.9	Low	132 Å²	132	70.2 Å²	70.2	62%	0.617	37%	0.365	S	S	*	.	S	Bend	trans	-157.4	144	177.4	-95.5	147.6	-149.3	0	0	109.6	I547 S947	I547-E549 PolarHBondContact O-N 2.99Å; E549-S947 PolarHBondContact N-O 2.75Å
550	C	31.3	Very low	51.4	Low	95 Å²	95	74.7 Å²	74.7	64%	0.642	38%	0.384	S	S	*	.	S	Bend	trans	84.5	71	169.9	-58.3	0	0	0	0	124.6	C949	C550-C949 VanDerWaalsContact CA-O 3.25Å; C550-C949 WeakPolarHBondContact CA-O 3.44Å
551	Y	39.2	Very low	50.9	Low	77 Å²	77	79.5 Å²	79.5	30%	0.302	41%	0.409	S	S	.	.			trans	-167	-42.1	179.1	-159.4	-90.8	0	0	0	117.7	N553 M554 E562 P948	Y551-N553 PolarHBondContact O-N 2.9Å; Y551-M554 HydrophobicContact CD1-CE 3.98Å; Y551-M554 HydrophobicContact CD1-SD 3.8Å; Y551-M554 HydrophobicContact CD2-CE 3.59Å; Y551-M554 HydrophobicContact CD2-SD 4.44Å; Y551-M554 HydrophobicContact CE1-CE 3.83Å; Y551-M554 HydrophobicContact CE1-SD 3.39Å; Y551-M554 WeakPolarHBondContact CE1-SD 3.28Å; Y551-M554 HydrophobicContact CE2-CE 3.41Å; Y551-M554 VanDerWaalsContact CE2-CE 3.41Å; Y551-M554 HydrophobicContact CE2-SD 4.09Å; Y551-M554 HydrophobicContact CG-CE 3.87Å; Y551-M554 HydrophobicContact CG-SD 4.31Å; Y551-M554 VanDerWaalsContact CZ-SD 3.56Å; Y551-M554 PolarHBondContact O-N 3.21Å; Y551-E562 WeakPolarHBondContact CE2-OE2 3Å; Y551-E562 WeakPolarHBondContact OH-CB 3.13Å; Y551-E562 WeakPolarHBondContact OH-CG 3.5Å; Y551-E562 PolarHBondContact OH-OE2 3.21Å; Y551-P948 VanDerWaalsContact N-CA 3.32Å
552	E	42.5	Very low	50.4	Low	122 Å²	122	81.6 Å²	81.6	57%	0.57	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	0.2	-161.5	-108	177.4	163.2	0	0	117.8	M554 P948 I950	E552-M554 PolarHBondContact O-N 2.82Å; E552-P948 HydrophobicContact CB-CB 3.67Å; E552-P948 HydrophobicContact CB-CG 4.44Å; E552-P948 HydrophobicContact CG-CB 3.6Å; E552-P948 HydrophobicContact CG-CG 4.09Å; E552-I950 HydrophobicContact CB-CD1 3.95Å; E552-I950 HydrophobicContact CB-CG1 3.95Å
553	N	45.2	Very low	50.3	Low	56 Å²	56	85.4 Å²	85.4	30%	0.299	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	0.8	179.5	-135.5	2.7	0	0	0	113.1	Y551 I950 M951	Y551-N553 PolarHBondContact O-N 2.9Å; N553-I950 HydrophobicContact CB-CB 4.33Å; N553-I950 HydrophobicContact CB-CG1 3.86Å; N553-M951 VanDerWaalsContact ND2-CG 3.34Å; N553-M951 WeakPolarHBondContact ND2-CG 3.27Å; N553-M951 PolarHBondContact ND2-SD 3.08Å
554	M	46.3	Very low	49.7	Very low	43 Å²	43	90.5 Å²	90.5	21%	0.212	45%	0.453	C	S	.	.			trans	-63.6	135.8	178.2	-75.9	-177.2	-169.9	0	0	111.5	Y551 E552 E558 K559 E562	Y551-M554 HydrophobicContact CD1-CE 3.98Å; Y551-M554 HydrophobicContact CD1-SD 3.8Å; Y551-M554 HydrophobicContact CD2-CE 3.59Å; Y551-M554 HydrophobicContact CD2-SD 4.44Å; Y551-M554 HydrophobicContact CE1-CE 3.83Å; Y551-M554 HydrophobicContact CE1-SD 3.39Å; Y551-M554 WeakPolarHBondContact CE1-SD 3.28Å; Y551-M554 HydrophobicContact CE2-CE 3.41Å; Y551-M554 VanDerWaalsContact CE2-CE 3.41Å; Y551-M554 HydrophobicContact CE2-SD 4.09Å; Y551-M554 HydrophobicContact CG-CE 3.87Å; Y551-M554 HydrophobicContact CG-SD 4.31Å; Y551-M554 VanDerWaalsContact CZ-SD 3.56Å; Y551-M554 PolarHBondContact O-N 3.21Å; E552-M554 PolarHBondContact O-N 2.82Å; M554-E558 WeakPolarHBondContact CA-OE2 3.05Å; M554-E558 HydrophobicContact CB-CB 3.77Å; M554-E558 HydrophobicContact CG-CB 3.89Å; M554-E558 HydrophobicContact SD-CB 4.18Å; M554-K559 HydrophobicContact CB-CG 4.09Å; M554-K559 PolarHBondContact O-NZ 2.76Å; M554-E562 HydrophobicContact CE-CG 4.46Å; M554-E562 HydrophobicContact SD-CG 4.3Å
555	T	62.7	Low	49.7	Very low	75 Å²	75	89.3 Å²	89.3	46%	0.46	46%	0.455	S	S	.	.			trans	-60.6	162.6	164.4	59.8	0	0	0	0	111	E557 E558 K559	T555-E557 VanDerWaalsContact C-N 3.26Å; T555-E557 PolarHBondContact O-N 3.26Å; T555-E558 WeakPolarHBondContact CB-OE2 3.13Å; T555-E558 WeakPolarHBondContact CG2-OE2 3.37Å; T555-E558 PolarHBondContact N-OE2 2.93Å; T555-E558 PolarHBondContact O-N 3.39Å; T555-E558 VanDerWaalsContact O-N 3.12Å; T555-E558 WeakPolarHBondContact OG1-CG 2.91Å; T555-E558 PolarHBondContact OG1-N 2.95Å; T555-E558 PolarHBondContact OG1-OE2 2.9Å; T555-K559 WeakPolarHBondContact O-CG 3.48Å; T555-K559 PolarHBondContact O-N 2.82Å
556	D	60.5	Low	49.4	Very low	119 Å²	119	91 Å²	91	64%	0.636	47%	0.471	S	S	*	.	H	α-helix	trans	-70.5	-23.5	-178.4	-58	-46.5	0	0	0	112.5	K559 E560	D556-K559 IonicContact OD1-NZ 2.64Å; D556-K559 PolarHBondContact OD1-NZ 3.19Å; D556-E560 WeakPolarHBondContact O-CB 3.21Å; D556-E560 PolarHBondContact O-N 2.97Å
557	E	63	Low	49.5	Very low	150 Å²	150	92.6 Å²	92.6	70%	0.701	48%	0.48	S	S	*	.	H	α-helix	trans	-67.2	-41.3	166.1	-71.3	-171.7	148.6	0	0	112.3	T555 E560 N561	T555-E557 VanDerWaalsContact C-N 3.26Å; T555-E557 PolarHBondContact O-N 3.26Å; E557-E560 PolarHBondContact O-N 3.22Å; E557-N561 WeakPolarHBondContact O-CB 3Å; E557-N561 PolarHBondContact O-N 2.98Å; E557-N561 PolarHBondContact O-ND2 3.39Å
558	E	58.6	Low	49.6	Very low	74 Å²	74	90 Å²	90	35%	0.346	47%	0.473	S	S	.	.	H	α-helix	trans	-66.5	-40.7	175.9	-74.2	163.2	130	0	0	110.9	M554 T555 N561 E562	M554-E558 WeakPolarHBondContact CA-OE2 3.05Å; M554-E558 HydrophobicContact CB-CB 3.77Å; M554-E558 HydrophobicContact CG-CB 3.89Å; M554-E558 HydrophobicContact SD-CB 4.18Å; T555-E558 WeakPolarHBondContact CB-OE2 3.13Å; T555-E558 WeakPolarHBondContact CG2-OE2 3.37Å; T555-E558 PolarHBondContact N-OE2 2.93Å; T555-E558 PolarHBondContact O-N 3.39Å; T555-E558 VanDerWaalsContact O-N 3.12Å; T555-E558 WeakPolarHBondContact OG1-CG 2.91Å; T555-E558 PolarHBondContact OG1-N 2.95Å; T555-E558 PolarHBondContact OG1-OE2 2.9Å; E558-N561 PolarHBondContact O-N 3.21Å; E558-E562 WeakPolarHBondContact O-CB 3.41Å; E558-E562 PolarHBondContact O-N 3.08Å
559	K	51.8	Low	50.2	Low	87 Å²	87	91 Å²	91	38%	0.378	48%	0.479	S	S	.	.	H	α-helix	trans	-59.9	-44.4	171.2	-64.7	-176.1	-167.6	87.5	0	111.5	M554 T555 D556 L563	M554-K559 HydrophobicContact CB-CG 4.09Å; M554-K559 PolarHBondContact O-NZ 2.76Å; T555-K559 WeakPolarHBondContact O-CG 3.48Å; T555-K559 PolarHBondContact O-N 2.82Å; D556-K559 IonicContact OD1-NZ 2.64Å; D556-K559 PolarHBondContact OD1-NZ 3.19Å; K559-L563 WeakPolarHBondContact O-CB 3.24Å; K559-L563 PolarHBondContact O-N 2.82Å
560	E	59.8	Low	50.4	Low	115 Å²	115	92.8 Å²	92.8	54%	0.537	49%	0.485	S	S	.	.	H	α-helix	trans	-71.4	-33.6	-179.9	-167.3	167.2	-145.1	0	0	112.3	D556 E557 Q564	D556-E560 WeakPolarHBondContact O-CB 3.21Å; D556-E560 PolarHBondContact O-N 2.97Å; E557-E560 PolarHBondContact O-N 3.22Å; E560-Q564 VanDerWaalsContact O-CB 3.3Å; E560-Q564 WeakPolarHBondContact O-CB 3.46Å; E560-Q564 VanDerWaalsContact O-CG 3.23Å; E560-Q564 WeakPolarHBondContact O-CG 3.05Å; E560-Q564 PolarHBondContact O-N 3.4Å
561	N	56.3	Low	50.7	Low	103 Å²	103	89.5 Å²	89.5	55%	0.551	47%	0.465	S	S	*	.	H	α-helix	trans	-70.4	-44.5	174.1	-81.7	-74.3	0	0	0	112.7	E557 E558 L563 Q564 A565	E557-N561 WeakPolarHBondContact O-CB 3Å; E557-N561 PolarHBondContact O-N 2.98Å; E557-N561 PolarHBondContact O-ND2 3.39Å; E558-N561 PolarHBondContact O-N 3.21Å; N561-L563 VanDerWaalsContact C-N 3.33Å; N561-Q564 PolarHBondContact O-N 3.08Å; N561-A565 WeakPolarHBondContact O-CB 3.08Å; N561-A565 PolarHBondContact O-N 3.36Å
562	E	53.4	Low	51	Low	93 Å²	93	91.2 Å²	91.2	44%	0.435	48%	0.48	S	S	.	.	H	α-helix	trans	-67.3	-35	173.7	-77.8	-96.8	129.9	0	0	111.5	Y551 M554 E558 A565 A566	Y551-E562 WeakPolarHBondContact CE2-OE2 3Å; Y551-E562 WeakPolarHBondContact OH-CB 3.13Å; Y551-E562 WeakPolarHBondContact OH-CG 3.5Å; Y551-E562 PolarHBondContact OH-OE2 3.21Å; M554-E562 HydrophobicContact CE-CG 4.46Å; M554-E562 HydrophobicContact SD-CG 4.3Å; E558-E562 WeakPolarHBondContact O-CB 3.41Å; E558-E562 PolarHBondContact O-N 3.08Å; E562-A565 PolarHBondContact O-N 2.85Å; E562-A566 WeakPolarHBondContact O-CB 3.43Å; E562-A566 PolarHBondContact O-N 2.94Å
563	L	53.9	Low	51	Low	105 Å²	105	90.3 Å²	90.3	55%	0.55	47%	0.473	S	S	.	.	H	α-helix	trans	-65.2	-42.5	171.9	-175.2	67.6	0	0	0	111.3	K559 N561 A566 I567	K559-L563 WeakPolarHBondContact O-CB 3.24Å; K559-L563 PolarHBondContact O-N 2.82Å; N561-L563 VanDerWaalsContact C-N 3.33Å; L563-A566 PolarHBondContact O-N 2.89Å; L563-I567 HydrophobicContact CD1-CD1 4.33Å; L563-I567 HydrophobicContact CG-CD1 3.96Å; L563-I567 VanDerWaalsContact O-CB 3.32Å; L563-I567 WeakPolarHBondContact O-CB 3.4Å; L563-I567 WeakPolarHBondContact O-CD1 3.31Å; L563-I567 WeakPolarHBondContact O-CG1 3.38Å; L563-I567 PolarHBondContact O-N 3.27Å
564	Q	49	Very low	50.6	Low	110 Å²	110	94.8 Å²	94.8	51%	0.514	50%	0.498	S	S	.	.	H	α-helix	trans	-66	-36.2	173.2	-77.5	-178.7	36.8	0	0	112.2	E560 N561 I567 A568	E560-Q564 VanDerWaalsContact O-CB 3.3Å; E560-Q564 WeakPolarHBondContact O-CB 3.46Å; E560-Q564 VanDerWaalsContact O-CG 3.23Å; E560-Q564 WeakPolarHBondContact O-CG 3.05Å; E560-Q564 PolarHBondContact O-N 3.4Å; N561-Q564 PolarHBondContact O-N 3.08Å; Q564-I567 PolarHBondContact O-N 3.1Å; Q564-A568 VanDerWaalsContact O-CB 3.23Å; Q564-A568 WeakPolarHBondContact O-CB 3.25Å; Q564-A568 PolarHBondContact O-N 3.28Å
565	A	53.3	Low	50.3	Low	54 Å²	54	97.4 Å²	97.4	45%	0.446	51%	0.512	S	S	.	.	H	α-helix	trans	-66	-45.9	173.8	0	0	0	0	0	111.5	N561 E562 I567 A568 D569	N561-A565 WeakPolarHBondContact O-CB 3.08Å; N561-A565 PolarHBondContact O-N 3.36Å; E562-A565 PolarHBondContact O-N 2.85Å; A565-I567 VanDerWaalsContact C-N 3.34Å; A565-I567 PolarHBondContact O-N 2.8Å; A565-A568 PolarHBondContact O-N 2.75Å; A565-D569 PolarHBondContact O-N 2.83Å
566	A	47.6	Very low	48.9	Very low	52 Å²	52	103.2 Å²	103.2	43%	0.43	53%	0.531	S	S	.	.	H	α-helix	trans	-62.2	-40	174.6	0	0	0	0	0	112.1	E562 L563 F570	E562-A566 WeakPolarHBondContact O-CB 3.43Å; E562-A566 PolarHBondContact O-N 2.94Å; L563-A566 PolarHBondContact O-N 2.89Å; A566-F570 WeakPolarHBondContact O-CD2 3.47Å; A566-F570 PolarHBondContact O-N 3.44Å
567	I	48	Very low	47.8	Very low	100 Å²	100	107 Å²	107	51%	0.513	55%	0.545	S	S	.	.	H	α-helix	trans	-66.5	-39	173.8	-72.1	166.4	0	0	0	111.1	L563 Q564 A565 F570 A571	L563-I567 HydrophobicContact CD1-CD1 4.33Å; L563-I567 HydrophobicContact CG-CD1 3.96Å; L563-I567 VanDerWaalsContact O-CB 3.32Å; L563-I567 WeakPolarHBondContact O-CB 3.4Å; L563-I567 WeakPolarHBondContact O-CD1 3.31Å; L563-I567 WeakPolarHBondContact O-CG1 3.38Å; L563-I567 PolarHBondContact O-N 3.27Å; Q564-I567 PolarHBondContact O-N 3.1Å; A565-I567 VanDerWaalsContact C-N 3.34Å; A565-I567 PolarHBondContact O-N 2.8Å; I567-F570 PolarHBondContact O-N 3.04Å; I567-A571 VanDerWaalsContact O-CB 3.28Å; I567-A571 WeakPolarHBondContact O-CB 3.42Å; I567-A571 PolarHBondContact O-N 3.45Å
568	A	43.8	Very low	46.4	Very low	44 Å²	44	104.5 Å²	104.5	36%	0.364	54%	0.544	S	S	.	.	H	α-helix	trans	-68.4	-36.6	177.4	0	0	0	0	0	112.5	Q564 A565 A571 N572	Q564-A568 VanDerWaalsContact O-CB 3.23Å; Q564-A568 WeakPolarHBondContact O-CB 3.25Å; Q564-A568 PolarHBondContact O-N 3.28Å; A565-A568 PolarHBondContact O-N 2.75Å; A568-A571 PolarHBondContact O-N 2.98Å; A568-N572 WeakPolarHBondContact O-CB 3.43Å; A568-N572 PolarHBondContact O-N 2.87Å; A568-N572 VanDerWaalsContact O-N 3.08Å; A568-N572 PolarHBondContact O-ND2 3.46Å
569	D	49.5	Very low	44.8	Very low	106 Å²	106	104.8 Å²	104.8	57%	0.567	57%	0.566	S	S	*	*	H	α-helix	trans	-74.3	-30.3	177.1	-137.7	39.6	0	0	0	111.9	A565	A565-D569 PolarHBondContact O-N 2.83Å
570	F	41.9	Very low	43.5	Very low	168 Å²	168	106.4 Å²	106.4	74%	0.737	58%	0.579	S	S	*	*	H	α-helix	trans	-66.9	-44.6	165.4	-100.5	-95.1	0	0	0	112.2	A566 I567 N572	A566-F570 WeakPolarHBondContact O-CD2 3.47Å; A566-F570 PolarHBondContact O-N 3.44Å; I567-F570 PolarHBondContact O-N 3.04Å; F570-N572 VanDerWaalsContact C-N 3.34Å; F570-N572 PolarHBondContact O-N 3.47Å
571	A	39.3	Very low	42.1	Very low	26 Å²	26	107.9 Å²	107.9	22%	0.215	60%	0.596	C	S	.	*	H	α-helix	trans	-70.2	-24.9	-176.5	0	0	0	0	0	114.2	I567 A568 I772	I567-A571 VanDerWaalsContact O-CB 3.28Å; I567-A571 WeakPolarHBondContact O-CB 3.42Å; I567-A571 PolarHBondContact O-N 3.45Å; A568-A571 PolarHBondContact O-N 2.98Å; A571-I772 HydrophobicContact CB-CG2 4.4Å; A571-I772 VanDerWaalsContact O-CG2 3.31Å; A571-I772 WeakPolarHBondContact O-CG2 3.27Å
572	N	44.3	Very low	40.6	Very low	114 Å²	114	110.8 Å²	110.8	61%	0.61	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-6.6	-174.5	-87.4	-65.5	0	0	0	115.6	A568 F570	A568-N572 WeakPolarHBondContact O-CB 3.43Å; A568-N572 PolarHBondContact O-N 2.87Å; A568-N572 VanDerWaalsContact O-N 3.08Å; A568-N572 PolarHBondContact O-ND2 3.46Å; F570-N572 VanDerWaalsContact C-N 3.34Å; F570-N572 PolarHBondContact O-N 3.47Å
573	K	43	Very low	39.4	Very low	102 Å²	102	111.4 Å²	111.4	44%	0.443	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.7	-28.5	-175.4	-79.7	176.6	-176.6	167.7	0	115.7	L575 C939	K573-L575 PolarHBondContact O-N 3.45Å; K573-C939 PolarHBondContact NZ-O 2.89Å
574	D	37.1	Very low	38.1	Very low	151 Å²	151	116.8 Å²	116.8	81%	0.807	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	16.7	-177.9	-76	-28.6	0	0	0	115
575	L	38.5	Very low	37	Very low	98 Å²	98	117.6 Å²	117.6	51%	0.513	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127.7	17.8	-174.7	-83.4	170.8	0	0	0	116.3	K573 I772	K573-L575 PolarHBondContact O-N 3.45Å; L575-I772 HydrophobicContact CD1-CB 3.79Å; L575-I772 HydrophobicContact CD1-CD1 3.86Å; L575-I772 HydrophobicContact CD1-CG1 3.37Å; L575-I772 HydrophobicContact CD1-CG2 3.46Å; L575-I772 VanDerWaalsContact CD1-CG2 3.46Å
576	K	33.8	Very low	35.7	Very low	196 Å²	196	119.5 Å²	119.5	85%	0.852	66%	0.66	S	S	*	*	S	Bend	trans	-124.8	-3.3	169.6	-80.8	-174.1	175.3	173.9	0	116.5
577	E	37.8	Very low	34.7	Very low	199 Å²	199	122.9 Å²	122.9	93%	0.93	68%	0.68	S	S	*	*	S	Bend	trans	-121.8	52.2	173.1	-67.7	-161.7	143.1	0	0	113.6
578	S	33.2	Very low	33.8	Very low	97 Å²	97	122.2 Å²	122.2	68%	0.678	68%	0.684	S	S	*	*			trans	-149.9	121.1	141.7	-168.7	0	0	0	0	106.8	N580	S578-N580 PolarHBondContact OG-N 2.83Å
579	G	26.4	Very low	33	Very low	80 Å²	80	128.1 Å²	128.1	83%	0.825	71%	0.709	S	S	*	*	S	Bend	cis	-69.7	107.5	47.8	0	0	0	0	0	120.7
580	N	24.2	Very low	31.9	Very low	122 Å²	122	134.7 Å²	134.7	65%	0.652	73%	0.725	S	S	*	*				72.6	69.2	117.6	-160.6	35.4	0	0	0	118.8	S578	S578-N580 PolarHBondContact OG-N 2.83Å
581	V	29.7	Very low	31	Very low	146 Å²	146	129.6 Å²	129.6	89%	0.885	72%	0.72	S	S	*	*			trans	-132.1	104.9	142.5	-180	0	0	0	0	109.7
582	E	23.9	Very low	30.5	Very low	164 Å²	164	134.7 Å²	134.7	77%	0.766	75%	0.749	S	S	*	*			trans	-80.1	178.5	166.8	-50.9	-175.6	127.1	0	0	111.2
583	P	28.5	Very low	29.6	Very low	105 Å²	105	136.1 Å²	136.1	68%	0.682	76%	0.756	S	S	*	*				-132.4	160.1	-68.6	38.2	-23.9	0	0	0	112.5
584	K	27.6	Very low	28.9	Very low	218 Å²	218	138.4 Å²	138.4	95%	0.948	77%	0.772	S	S	*	*			trans	-158.4	79.2	152.9	-119.5	160.8	-171.1	169.9	0	113.2
585	V	26.4	Very low	28.5	Very low	127 Å²	127	137.8 Å²	137.8	77%	0.77	77%	0.774	S	S	*	*			trans	-84.8	155.2	-177.8	175.6	0	0	0	0	111.6
586	S	25.4	Very low	27.9	Very low	95 Å²	95	139.2 Å²	139.2	66%	0.664	79%	0.789	S	S	*	*			trans	56.5	108.3	164.7	58.1	0	0	0	0	117.6
587	S	27.3	Very low	27.6	Very low	122 Å²	122	137.9 Å²	137.9	85%	0.853	79%	0.79	S	S	*	*				-127.2	83.5	68.1	56.2	0	0	0	0	112.1
588	S	27.4	Very low	27.2	Very low	87 Å²	87	134.8 Å²	134.8	61%	0.608	79%	0.785	S	S	*	*				41.3	85.4	70.8	-161.7	0	0	0	0	114	R590	S588-R590 PolarHBondContact O-N 3.08Å
589	L	28.4	Very low	26.9	Very low	167 Å²	167	136 Å²	136	87%	0.874	78%	0.779	S	S	*	*				41.8	67.2	120.4	-66.3	162.4	0	0	0	116.7
590	R	24.8	Very low	26.9	Very low	244 Å²	244	134 Å²	134	92%	0.921	76%	0.756	S	S	*	*				-102.5	126.2	126.7	-62.7	176	-178.8	171.6	-0.6	104.4	S588	S588-R590 PolarHBondContact O-N 3.08Å
591	G	24.9	Very low	27.1	Very low	61 Å²	61	132.4 Å²	132.4	63%	0.629	75%	0.75	S	S	*	*			cis	89.5	143.9	39.7	0	0	0	0	0	108
592	V	27.1	Very low	27.1	Very low	134 Å²	134	127.3 Å²	127.3	81%	0.812	72%	0.719	S	S	*	*			trans	72.9	92.8	-166.1	-170.6	0	0	0	0	110.7
593	L	25.6	Very low	27.5	Very low	144 Å²	144	121.6 Å²	121.6	75%	0.754	70%	0.695	S	S	*	*				75.9	123.5	82.3	-71.1	158.5	0	0	0	114.2
594	L	28.3	Very low	27.5	Very low	150 Å²	150	118.6 Å²	118.6	79%	0.785	68%	0.684	S	S	*	*			trans	54.2	88.8	144.1	-60.8	165.6	0	0	0	118.9
595	T	29	Very low	27.4	Very low	138 Å²	138	111.6 Å²	111.6	85%	0.847	66%	0.662	S	S	*	*				177.1	137.4	112.7	28.9	0	0	0	0	111.7	L597	T595-L597 PolarHBondContact O-N 3.22Å
596	P	26.3	Very low	27.6	Very low	128 Å²	128	108.2 Å²	108.2	83%	0.831	64%	0.643	S	S	*	*			trans	-97.4	86.4	-169	36.3	-34.4	0	0	0	114
597	L	26.7	Very low	27.9	Very low	168 Å²	168	107.7 Å²	107.7	88%	0.88	64%	0.639	S	S	*	*			trans	-159.5	60	175.2	-124.9	152.7	0	0	0	115.9	T595	T595-L597 PolarHBondContact O-N 3.22Å
598	V	30.8	Very low	28	Very low	134 Å²	134	105.9 Å²	105.9	81%	0.812	62%	0.623	S	S	*	*			trans	-135.2	124.4	172.8	-176.5	0	0	0	0	112
599	Q	27	Very low	28.1	Very low	121 Å²	121	106.5 Å²	106.5	57%	0.565	62%	0.619	S	S	*	*			trans	-94.9	110.1	164.1	-67.5	173.7	-96.2	0	0	108.9	L462	L462-Q599 HydrophobicContact CD2-CB 3.61Å; L462-Q599 WeakPolarHBondContact CD2-O 3.17Å
600	A	25.2	Very low	28.3	Very low	40 Å²	40	99 Å²	99	33%	0.331	58%	0.582	S	S	.	*			trans	-177.3	157.6	157.1	0	0	0	0	0	113.6	L462 V482	L462-A600 VanDerWaalsContact CD2-CA 3.42Å; L462-A600 HydrophobicContact CD2-CB 4.2Å; V482-A600 WeakPolarHBondContact CB-O 3.32Å; V482-A600 WeakPolarHBondContact CG2-O 3.33Å
601	V	29.4	Very low	28.4	Very low	87 Å²	87	91.9 Å²	91.9	53%	0.527	56%	0.558	S	S	.	*			trans	94.3	125.6	152.6	-162	0	0	0	0	120.8	V482	V482-V601 WeakPolarHBondContact CB-O 3.42Å; V482-V601 WeakPolarHBondContact CG2-O 3.2Å; V482-V601 PolarHBondContact N-O 2.9Å; V482-V601 VanDerWaalsContact N-O 3.16Å
602	T	29.5	Very low	28.8	Very low	39 Å²	39	94.3 Å²	94.3	24%	0.239	56%	0.555	C	S	.	*			trans	63.8	138.8	152.5	53.8	0	0	0	0	123.6	I481 V482 I501 V502	I481-T602 VanDerWaalsContact CA-C 3.42Å; I481-T602 VanDerWaalsContact CA-O 3.31Å; I481-T602 WeakPolarHBondContact CA-O 3.5Å; I481-T602 VanDerWaalsContact CG2-CA 3.48Å; V482-T602 PolarHBondContact N-O 2.89Å; V482-T602 VanDerWaalsContact N-O 3.14Å; I501-T602 WeakPolarHBondContact CB-OG1 3.48Å; I501-T602 HydrophobicContact CD1-CG2 4.12Å; I501-T602 WeakPolarHBondContact CG2-OG1 3.2Å; I501-T602 PolarHBondContact N-O 2.6Å; V502-T602 PolarHBondContact N-O 2.93Å
603	V	32.4	Very low	29.1	Very low	44 Å²	44	95.1 Å²	95.1	27%	0.267	55%	0.553	S	S	.	*			cis	-161.2	174.8	-6.8	101.8	0	0	0	0	112.6	M480 I501	M480-V603 PolarHBondContact O-N 2.84Å; I501-V603 HydrophobicContact CB-CB 4.42Å; I501-V603 HydrophobicContact CD1-CB 3.69Å; I501-V603 HydrophobicContact CD1-CG1 3.62Å; I501-V603 HydrophobicContact CD1-CG2 4.48Å; I501-V603 HydrophobicContact CG1-CB 3.59Å; I501-V603 HydrophobicContact CG1-CG1 3.47Å; I501-V603 VanDerWaalsContact CG1-CG1 3.47Å
604	G	28.4	Very low	29.2	Very low	43 Å²	43	95.5 Å²	95.5	44%	0.443	56%	0.556	S	S	.	*			trans	-110.2	114	162.9	0	0	0	0	0	116.1	P499	P499-G604 VanDerWaalsContact CG-CA 3.45Å
605	S	26	Very low	29.2	Very low	71 Å²	71	93 Å²	93	50%	0.497	55%	0.55	S	S	.	*			trans	-170.2	112.2	157.9	55.1	0	0	0	0	114.4	P499	P499-S605 VanDerWaalsContact CG-N 3.31Å
606	P	29.1	Very low	29.7	Very low	56 Å²	56	92.1 Å²	92.1	36%	0.364	55%	0.547	S	S	.	.			trans	-97.8	110.7	160.4	-18.6	35.9	0	0	0	116	P499 M517 P519	P499-P606 HydrophobicContact CB-CG 3.84Å; P499-P606 HydrophobicContact CG-CG 3.94Å; M517-P606 WeakPolarHBondContact O-CB 3.3Å; P519-P606 HydrophobicContact CG-CB 3.76Å; P519-P606 HydrophobicContact CG-CG 4.32Å
607	S	31.8	Very low	30.1	Very low	84 Å²	84	89.4 Å²	89.4	59%	0.587	54%	0.543	S	S	*	.			trans	-89.4	121.1	140.6	-62.1	0	0	0	0	106.4
608	V	30	Very low	30.2	Very low	83 Å²	83	87.8 Å²	87.8	50%	0.503	54%	0.539	S	S	.	.				69.7	112.2	69.4	175.9	0	0	0	0	111.6
609	L	30.4	Very low	30.1	Very low	101 Å²	101	91 Å²	91	53%	0.529	54%	0.543	S	S	.	.			trans	75.1	156.1	172.1	-58.7	164.8	0	0	0	116.9	N537 N938	N537-L609 VanDerWaalsContact OD1-CA 3.23Å; N537-L609 WeakPolarHBondContact OD1-CA 3.3Å; N537-L609 PolarHBondContact OD1-N 2.71Å; L609-N938 VanDerWaalsContact C-CG 3.47Å; L609-N938 WeakPolarHBondContact O-CB 3.43Å; L609-N938 PolarHBondContact O-N 2.76Å
610	G	31	Very low	30.4	Very low	10 Å²	10	90.4 Å²	90.4	10%	0.103	55%	0.552	C	S	.	*			cis	-174.7	159.6	-9.8	0	0	0	0	0	110.9	R936 S937 N938	G610-R936 CarbonylContact C-O 3.35Å; G610-R936 WeakPolarHBondContact CA-O 3.05Å; G610-R936 PolarHBondContact N-O 3.26Å; G610-R936 VanDerWaalsContact N-O 3.14Å; G610-R936 CarbonylContact O-C 3.54Å; G610-S937 CarbonylContact O-C 3.51Å; G610-S937 PolarHBondContact O-N 2.81Å; G610-N938 PolarHBondContact N-OD1 3.36Å; G610-N938 VanDerWaalsContact N-OD1 3.13Å; G610-N938 PolarHBondContact O-N 2.8Å; G610-N938 PolarHBondContact O-OD1 3.21Å
611	F	27.2	Very low	31	Very low	94 Å²	94	93.4 Å²	93.4	41%	0.412	57%	0.568	S	S	.	*			trans	-172.7	166.6	163.1	-63.5	-40.9	0	0	0	108.6	Y934 R936 S937	F611-Y934 VanDerWaalsContact CD2-O 3.26Å; F611-Y934 WeakPolarHBondContact CD2-O 3.33Å; F611-R936 VanDerWaalsContact N-C 3.34Å; F611-R936 VanDerWaalsContact N-CA 3.32Å; F611-R936 PolarHBondContact N-O 3.45Å; F611-R936 PolarHBondContact O-NE 3.01Å; F611-R936 PolarHBondContact O-NH2 3Å; F611-S937 WeakPolarHBondContact CD1-O 3.29Å; F611-S937 WeakPolarHBondContact CD2-OG 3.34Å; F611-S937 WeakPolarHBondContact CE1-O 3.46Å; F611-S937 WeakPolarHBondContact CE2-O 3.3Å; F611-S937 WeakPolarHBondContact CE2-OG 3.37Å; F611-S937 WeakPolarHBondContact CZ-O 3.4Å
612	I	34.6	Very low	31.1	Very low	111 Å²	111	96 Å²	96	57%	0.569	58%	0.578	S	S	*	*			trans	-148.5	178.5	-173.9	-43.3	176.9	0	0	0	107.6	T735	I612-T735 HydrophobicContact CD1-CG2 4Å
613	I	31.5	Very low	31.3	Very low	151 Å²	151	100.8 Å²	100.8	77%	0.774	60%	0.601	S	S	*	*			trans	82.4	138.9	160.7	-54.7	173.1	0	0	0	115.6
614	L	28.8	Very low	31.1	Very low	153 Å²	153	104.1 Å²	104.1	80%	0.801	62%	0.617	S	S	*	*			cis	-164.5	179.6	-37.2	-114.1	158.3	0	0	0	110.7
615	S	27.7	Very low	31.2	Very low	97 Å²	97	104.3 Å²	104.3	68%	0.678	61%	0.611	S	S	*	*			trans	-100.5	-159.8	-172.7	62.1	0	0	0	0	113
616	P	39.1	Very low	32	Very low	119 Å²	119	104.1 Å²	104.1	77%	0.773	61%	0.608	S	S	*	*			cis	-143.7	165.2	-12.7	38.4	-19.1	0	0	0	118.6
617	G	34.9	Very low	32.4	Very low	72 Å²	72	106.3 Å²	106.3	74%	0.742	62%	0.622	S	S	*	*				77.3	155.4	129	0	0	0	0	0	123.6
618	V	30.1	Very low	32.6	Very low	133 Å²	133	109.2 Å²	109.2	81%	0.806	63%	0.631	S	S	*	*			trans	172.6	115.4	139.6	147	0	0	0	0	113.8
619	F	29.1	Very low	32.9	Very low	202 Å²	202	112.8 Å²	112.8	89%	0.886	65%	0.646	S	S	*	*			trans	70.4	143.7	151.3	-75.3	-114.7	0	0	0	124.6
620	S	32.9	Very low	33.1	Very low	108 Å²	108	111.5 Å²	111.5	76%	0.755	65%	0.65	S	S	*	*			trans	-126.9	-151.4	-176.8	64.9	0	0	0	0	109
621	P	37.8	Very low	33	Very low	104 Å²	104	116.7 Å²	116.7	68%	0.675	68%	0.68	S	S	*	*			cis	-130.1	-171.1	5.3	38.7	-16.1	0	0	0	115.1
622	L	31	Very low	33.4	Very low	141 Å²	141	118.4 Å²	118.4	74%	0.738	70%	0.698	S	S	*	*				-172.6	152.6	85.7	-110.7	99.5	0	0	0	113.3
623	I	33	Very low	33.1	Very low	140 Å²	140	120 Å²	120	72%	0.718	71%	0.706	S	S	*	*			trans	70	142.7	158.7	-59.3	155.3	0	0	0	118.2
624	L	29.1	Very low	33	Very low	114 Å²	114	121.3 Å²	121.3	60%	0.597	71%	0.712	S	S	*	*			cis	166.3	146.3	-45	-101.6	55.2	0	0	0	108.9	P803	L624-P803 WeakPolarHBondContact CA-O 3.19Å; L624-P803 VanDerWaalsContact CG-O 3.32Å; L624-P803 WeakPolarHBondContact CG-O 3.13Å
625	S	29.4	Very low	33	Very low	47 Å²	47	119 Å²	119	33%	0.329	71%	0.708	S	S	.	*			trans	-157.8	-169.1	-176.3	85.4	0	0	0	0	111.7	P803 Q804 V805	S625-P803 PolarHBondContact N-O 2.96Å; S625-P803 VanDerWaalsContact N-O 3.08Å; S625-Q804 WeakPolarHBondContact O-CB 3.43Å; S625-V805 PolarHBondContact OG-N 2.93Å; S625-V805 PolarHBondContact OG-O 3.23Å
626	P	43.7	Very low	33.3	Very low	67 Å²	67	118.9 Å²	118.9	44%	0.435	71%	0.705	S	S	.	*			cis	-106	-100.2	1.3	28.9	-6	0	0	0	113.6	Q804	P626-Q804 HydrophobicContact CG-CB 3.73Å; P626-Q804 HydrophobicContact CG-CG 4.31Å
627	P	37.6	Very low	32.8	Very low	101 Å²	101	120.4 Å²	120.4	66%	0.656	71%	0.706	S	S	*	*			cis	-134.8	-176.9	2.3	31.7	-6	0	0	0	118.5
628	L	36.4	Very low	32.5	Very low	146 Å²	146	122.9 Å²	122.9	76%	0.764	71%	0.706	S	S	*	*			trans	104.5	119.3	150.2	-60.9	-174	0	0	0	123.1
629	L	34.8	Very low	32.4	Very low	157 Å²	157	124 Å²	124	82%	0.822	70%	0.704	S	S	*	*			trans	64.8	154	139.6	-58.2	167	0	0	0	121
630	A	34.4	Very low	32.6	Very low	75 Å²	75	118.7 Å²	118.7	62%	0.62	69%	0.693	S	S	*	*			cis	-169.2	151.8	-30.6	0	0	0	0	0	112.3
631	T	29.5	Very low	32.7	Very low	119 Å²	119	119 Å²	119	73%	0.73	69%	0.692	S	S	*	*			trans	7.8	129.2	152.3	58.4	0	0	0	0	122.1
632	T	35.2	Very low	32.2	Very low	130 Å²	130	118 Å²	118	80%	0.798	69%	0.692	S	S	*	*				-179.5	128.6	123.5	25.2	0	0	0	0	107.6
633	I	30	Very low	32.1	Very low	143 Å²	143	118.4 Å²	118.4	73%	0.733	69%	0.694	S	S	*	*				71.4	97.8	55.5	-55.7	163.5	0	0	0	112.8
634	M	29.5	Very low	31.9	Very low	180 Å²	180	118.6 Å²	118.6	89%	0.887	70%	0.696	S	S	*	*				-169.3	156.4	121.1	-104.8	-54.7	-154.7	0	0	111.8
635	S	27	Very low	32	Very low	104 Å²	104	118.9 Å²	118.9	73%	0.727	70%	0.702	S	S	*	*			trans	-125.5	-132.4	-171.6	45.4	0	0	0	0	113.3
636	P	35.6	Very low	32	Very low	95 Å²	95	121.6 Å²	121.6	62%	0.617	72%	0.719	S	S	*	*				-126.7	-157.5	-106.3	39.6	-20.9	0	0	0	113.4
637	L	28.4	Very low	31.6	Very low	150 Å²	150	126.6 Å²	126.6	79%	0.785	74%	0.74	S	S	*	*			trans	69.5	126.1	164.1	-88.2	39	0	0	0	115.7
638	V	28.5	Very low	31.1	Very low	124 Å²	124	126.7 Å²	126.7	75%	0.752	74%	0.739	S	S	*	*				90.2	150.9	51.7	168.6	0	0	0	0	112.5
639	M	27.9	Very low	30.6	Very low	156 Å²	156	127 Å²	127	77%	0.768	74%	0.741	S	S	*	*			trans	88.2	93.4	-174.9	-52.4	-54.9	-72.9	0	0	114.4
640	S	32.1	Very low	30.4	Very low	92 Å²	92	126.1 Å²	126.1	64%	0.643	74%	0.737	S	S	*	*				89.4	168.3	74	77.1	0	0	0	0	113.1
641	P	35.6	Very low	30.4	Very low	113 Å²	113	127.3 Å²	127.3	73%	0.734	74%	0.738	S	S	*	*			cis	-134.9	179.5	-10.3	40.6	-23.5	0	0	0	115.2
642	A	28.6	Very low	30.4	Very low	83 Å²	83	128.1 Å²	128.1	69%	0.686	74%	0.736	S	S	*	*			trans	69.4	137.9	136.7	0	0	0	0	0	125.1
643	I	28.6	Very low	30.2	Very low	151 Å²	151	129.4 Å²	129.4	77%	0.774	74%	0.737	S	S	*	*			trans	88.5	109.5	140.9	-71.6	161.9	0	0	0	121.4
644	L	27.6	Very low	30.4	Very low	143 Å²	143	129.8 Å²	129.8	75%	0.749	74%	0.739	S	S	*	*			trans	52.7	119	140.6	-82.9	59.4	0	0	0	123.4
645	T	32.4	Very low	30.5	Very low	121 Å²	121	128.3 Å²	128.3	74%	0.742	74%	0.735	S	S	*	*				27.6	143.1	121.4	62.6	0	0	0	0	120.6
646	P	29.9	Very low	30.9	Very low	103 Å²	103	127.9 Å²	127.9	67%	0.669	73%	0.73	S	S	*	*			cis	-144.6	-138	38.7	43.7	-23.1	0	0	0	114.2	T648	P646-T648 PolarHBondContact O-N 3.17Å
647	I	34.4	Very low	31	Very low	173 Å²	173	129.9 Å²	129.9	89%	0.887	73%	0.734	S	S	*	*	S	Bend	trans	-70.4	81.6	175.5	-52.6	167.8	0	0	0	110
648	T	26.4	Very low	31.1	Very low	103 Å²	103	129.5 Å²	129.5	63%	0.632	73%	0.732	S	S	*	*			trans	-149.7	121.1	173.4	40.6	0	0	0	0	113.6	P646	P646-T648 PolarHBondContact O-N 3.17Å
649	L	26.7	Very low	31.4	Very low	152 Å²	152	130.6 Å²	130.6	80%	0.796	73%	0.732	S	S	*	*				27.5	127.1	128.9	-70.6	162.5	0	0	0	120.2
650	N	31	Very low	31.6	Very low	138 Å²	138	129.9 Å²	129.9	74%	0.738	73%	0.732	S	S	*	*			trans	69	172.2	140.4	-93.7	-11.7	0	0	0	118.6
651	P	34	Very low	31.7	Very low	100 Å²	100	129.7 Å²	129.7	65%	0.649	73%	0.728	S	S	*	*			cis	-130.7	157.3	-17.7	23.9	-2.2	0	0	0	115.5
652	I	29.8	Very low	31.6	Very low	136 Å²	136	133.9 Å²	133.9	70%	0.697	74%	0.735	S	S	*	*			trans	42.6	122.3	131.4	-54.4	163.7	0	0	0	119.1
653	I	29.8	Very low	31.8	Very low	158 Å²	158	137 Å²	137	81%	0.81	74%	0.739	S	S	*	*				-146	111.9	116.3	-99.7	151.3	0	0	0	110.3
654	L	35.3	Very low	31.9	Very low	150 Å²	150	137.7 Å²	137.7	79%	0.785	74%	0.743	S	S	*	*			trans	46	88	161.7	-67.2	92.7	0	0	0	121.3
655	N	31.5	Very low	31.9	Very low	149 Å²	149	135.9 Å²	135.9	80%	0.797	74%	0.743	S	S	*	*				-44.7	175.2	130	-136.2	8.6	0	0	0	112.3
656	P	34.8	Very low	31.9	Very low	95 Å²	95	135.3 Å²	135.3	62%	0.617	74%	0.741	S	S	*	*			cis	-140.6	-160.4	2.2	25.4	3	0	0	0	115.4
657	I	37.2	Very low	31.9	Very low	138 Å²	138	137.4 Å²	137.4	71%	0.708	75%	0.746	S	S	*	*			trans	105.9	96.3	148.8	-57.6	-177.6	0	0	0	118.7
658	I	31	Very low	31.7	Very low	142 Å²	142	137.1 Å²	137.1	73%	0.728	74%	0.738	S	S	*	*			trans	83.8	118.6	136.9	-68.7	178.4	0	0	0	121.5
659	L	34	Very low	31.9	Very low	147 Å²	147	139 Å²	139	77%	0.77	74%	0.744	S	S	*	*			trans	55.3	137.6	154.2	-58	166.2	0	0	0	118.8
660	N	33	Very low	32.3	Very low	141 Å²	141	137.1 Å²	137.1	75%	0.754	74%	0.743	S	S	*	*			cis	-153.9	164.8	10	-130.2	0.9	0	0	0	110.9
661	P	34.1	Very low	32.5	Very low	88 Å²	88	135.5 Å²	135.5	57%	0.571	74%	0.74	S	S	*	*			trans	-109.6	149.2	-158.4	38.9	-34.9	0	0	0	118
662	F	32.5	Very low	32.4	Very low	200 Å²	200	137 Å²	137	88%	0.877	75%	0.747	S	S	*	*			trans	67.5	153.4	140.4	-70.3	-145.3	0	0	0	117.4
663	I	34.8	Very low	32.6	Very low	149 Å²	149	137.4 Å²	137.4	76%	0.764	75%	0.749	S	S	*	*			cis	-122	132.9	10.1	-62.9	169.8	0	0	0	110.9
664	L	28.7	Very low	32.6	Very low	165 Å²	165	137.5 Å²	137.5	86%	0.864	75%	0.751	S	S	*	*			trans	-111.2	135.4	162.1	-133.8	84.3	0	0	0	107.9
665	S	29.1	Very low	32.5	Very low	106 Å²	106	136.2 Å²	136.2	74%	0.741	75%	0.749	S	S	*	*			trans	-172.6	68.7	159.1	46.7	0	0	0	0	116.6
666	P	31.7	Very low	32.6	Very low	109 Å²	109	134.4 Å²	134.4	71%	0.708	75%	0.746	S	S	*	*			trans	-88.9	108.3	149.5	32.7	-25.4	0	0	0	110
667	L	31	Very low	32.6	Very low	146 Å²	146	137.1 Å²	137.1	76%	0.764	75%	0.754	S	S	*	*			trans	-176.2	-178.7	158.1	-129.3	78.2	0	0	0	112.4
668	F	29.2	Very low	32.4	Very low	168 Å²	168	136 Å²	136	74%	0.737	75%	0.754	S	S	*	*			trans	85.7	78.4	164.5	-59.4	-69.3	0	0	0	120.2
669	L	31.2	Very low	32.5	Very low	143 Å²	143	136.9 Å²	136.9	75%	0.749	76%	0.757	S	S	*	*				54.5	130.9	111.4	-82.3	139.7	0	0	0	120.7
670	S	33.7	Very low	32.5	Very low	112 Å²	112	132.6 Å²	132.6	78%	0.783	74%	0.736	S	S	*	*				179.4	174.4	97.9	64.1	0	0	0	0	110.7
671	P	36.3	Very low	32.5	Very low	103 Å²	103	129.5 Å²	129.5	67%	0.669	72%	0.724	S	S	*	*				-145.5	-166.4	-100	39	-15.1	0	0	0	117.1
672	V	32	Very low	32.1	Very low	131 Å²	131	130.1 Å²	130.1	79%	0.794	72%	0.722	S	S	*	*			trans	84.6	158.2	141.8	146.5	0	0	0	0	120.1
673	I	33	Very low	31.8	Very low	145 Å²	145	124.8 Å²	124.8	74%	0.744	70%	0.702	S	S	*	*			trans	92.1	82.6	175.4	-42.2	-166	0	0	0	119
674	L	29.9	Very low	31.3	Very low	161 Å²	161	123.4 Å²	123.4	84%	0.843	69%	0.69	S	S	*	*				75.6	105.1	116.5	-153.2	63.7	0	0	0	122
675	T	33.5	Very low	31.1	Very low	122 Å²	122	123.1 Å²	123.1	75%	0.748	68%	0.683	S	S	*	*			trans	-73.9	164.5	143	47	0	0	0	0	110.1
676	P	33.4	Very low	31.2	Very low	112 Å²	112	122.6 Å²	122.6	73%	0.727	68%	0.677	S	S	*	*			cis	-145.3	170.9	27.8	43.2	-24.5	0	0	0	117.9
677	L	36.1	Very low	31	Very low	151 Å²	151	121.5 Å²	121.5	79%	0.791	67%	0.668	S	S	*	*			trans	-173.2	127.1	133.2	-115.4	55.2	0	0	0	106.4
678	V	32.8	Very low	31	Very low	116 Å²	116	119 Å²	119	70%	0.703	66%	0.658	S	S	*	*				63.6	123.2	90.8	171.5	0	0	0	0	112.7
679	M	32.2	Very low	31.2	Very low	160 Å²	160	119.4 Å²	119.4	79%	0.788	67%	0.667	S	S	*	*			cis	-152.8	138.2	-7.9	-113.2	-55.3	-178.1	0	0	110.6
680	T	35.2	Very low	31.3	Very low	56 Å²	56	117.2 Å²	117.2	34%	0.344	66%	0.664	S	S	.	*			trans	-64.7	165.8	149.9	61.9	0	0	0	0	108.9	A824 T825	T680-A824 VanDerWaalsContact CG2-O 3.23Å; T680-A824 WeakPolarHBondContact CG2-O 3.17Å; T680-T825 VanDerWaalsContact CB-OG1 3.23Å; T680-T825 WeakPolarHBondContact CB-OG1 3.33Å; T680-T825 HydrophobicContact CG2-CG2 4.2Å; T680-T825 PolarHBondContact OG1-OG1 3.38Å; T680-T825 VanDerWaalsContact OG1-OG1 3.04Å
681	P	32.4	Very low	31.5	Very low	76 Å²	76	115.7 Å²	115.7	49%	0.494	65%	0.652	S	S	.	*			cis	-148	-142.8	30.4	27.7	1.6	0	0	0	112.6	T825	P681-T825 WeakPolarHBondContact CA-O 3.28Å
682	L	26	Very low	31.3	Very low	101 Å²	101	117.1 Å²	117.1	53%	0.529	65%	0.652	S	S	.	*			trans	82.3	133.1	145.9	-75.4	165.6	0	0	0	120.3	L826 S827	L682-L826 VanDerWaalsContact CA-O 3.23Å; L682-L826 WeakPolarHBondContact CA-O 3.3Å; L682-L826 PolarHBondContact N-O 2.82Å; L682-S827 CarbonylContact C-O 3.55Å; L682-S827 WeakPolarHBondContact CA-O 3.41Å
683	I	25.7	Very low	31	Very low	89 Å²	89	118 Å²	118	46%	0.456	65%	0.65	S	S	.	*			trans	105.9	152.3	141.4	-68.7	161.1	0	0	0	119.8	S827 A829	I683-S827 PolarHBondContact N-O 3.47Å; I683-A829 HydrophobicContact CG1-CB 4.46Å; I683-A829 VanDerWaalsContact CG1-O 3.22Å; I683-A829 WeakPolarHBondContact CG1-O 3.06Å; I683-A829 WeakPolarHBondContact CG2-O 3.39Å
684	F	23.5	Very low	30.7	Very low	119 Å²	119	117.7 Å²	117.7	52%	0.522	64%	0.643	S	S	.	*			trans	-62	-173.9	-178.7	-80.6	-80.6	0	0	0	113.1	P828 A829	F684-P828 HydrophobicContact CD1-CB 4.37Å; F684-P828 HydrophobicContact CD2-CB 3.66Å; F684-P828 HydrophobicContact CE1-CB 4.44Å; F684-P828 HydrophobicContact CE2-CB 3.72Å; F684-P828 HydrophobicContact CE2-CG 4.12Å; F684-P828 HydrophobicContact CG-CB 3.98Å; F684-P828 HydrophobicContact CZ-CB 4.13Å; F684-P828 HydrophobicContact CZ-CG 4.18Å; F684-A829 VanDerWaalsContact CD2-N 3.33Å
685	F	26.3	Very low	30.9	Very low	160 Å²	160	112 Å²	112	70%	0.702	62%	0.615	S	S	*	*			trans	-10.5	137.9	141.9	-70.9	-87.4	0	0	0	114.8	T687	F685-T687 HydrophobicContact CD1-CG2 4.33Å
686	P	30.3	Very low	30.9	Very low	95 Å²	95	108.5 Å²	108.5	62%	0.617	59%	0.594	S	S	*	*			cis	-140.9	143.7	47.5	41.2	-24.3	0	0	0	117.3
687	T	27.8	Very low	31.2	Very low	86 Å²	86	104.1 Å²	104.1	53%	0.528	57%	0.57	S	S	.	*				33.1	132.1	128.2	77	0	0	0	0	120.4	F685	F685-T687 HydrophobicContact CD1-CG2 4.33Å
688	V	30.5	Very low	31	Very low	92 Å²	92	102.6 Å²	102.6	56%	0.558	57%	0.566	S	S	*	*				77	115.5	121.3	164.6	0	0	0	0	118.8	P691	V688-P691 HydrophobicContact CB-CG 4.4Å; V688-P691 HydrophobicContact CG1-CG 3.76Å; V688-P691 HydrophobicContact CG2-CB 3.92Å; V688-P691 HydrophobicContact CG2-CG 3.66Å
689	L	34.1	Very low	31	Very low	177 Å²	177	104.1 Å²	104.1	93%	0.927	57%	0.567	S	S	*	*	S	Bend		-149.5	109	124.9	-147.8	153.6	0	0	0	110.1
690	S	31.7	Very low	31.1	Very low	98 Å²	98	102.1 Å²	102.1	69%	0.685	56%	0.56	S	S	*	*	S	Bend	cis	-147.9	164.1	-15.4	106.7	0	0	0	0	112
691	P	38.5	Very low	30.9	Very low	80 Å²	80	105 Å²	105	52%	0.519	57%	0.573	S	S	.	*			trans	-128.1	-142.8	-138.9	41.9	-24.1	0	0	0	114.5	V688	V688-P691 HydrophobicContact CB-CG 4.4Å; V688-P691 HydrophobicContact CG1-CG 3.76Å; V688-P691 HydrophobicContact CG2-CB 3.92Å; V688-P691 HydrophobicContact CG2-CG 3.66Å
692	I	32.6	Very low	30.8	Very low	132 Å²	132	106.8 Å²	106.8	68%	0.677	57%	0.57	S	S	*	*			trans	102.7	134.5	161.8	-59.6	175.9	0	0	0	115.6	L836	I692-L836 HydrophobicContact CD1-CD1 4.2Å
693	M	26.1	Very low	31.1	Very low	151 Å²	151	109.6 Å²	109.6	74%	0.744	58%	0.584	S	S	*	*			cis	167.2	158.4	-28.3	-95.8	-94.1	-74	0	0	107.6
694	F	27	Very low	31.2	Very low	138 Å²	138	109.4 Å²	109.4	61%	0.605	58%	0.583	S	S	*	*			cis	-145.9	-157.3	-8.4	-169.6	-127.3	0	0	0	109.9	I740	F694-I740 VanDerWaalsContact O-CD1 3.25Å; F694-I740 WeakPolarHBondContact O-CD1 3.26Å; F694-I740 WeakPolarHBondContact O-CG1 3.26Å; F694-I740 WeakPolarHBondContact O-CG2 3.4Å
695	V	32.6	Very low	31.5	Very low	41 Å²	41	106.3 Å²	106.3	25%	0.248	58%	0.576	C	S	.	*			trans	-131.1	-137.8	-157.5	-158.7	0	0	0	0	119.1	T738 I740 Y741 N742	V695-T738 VanDerWaalsContact CG1-O 3.3Å; V695-T738 WeakPolarHBondContact CG1-O 3.25Å; V695-I740 HydrophobicContact CG1-CG1 4.25Å; V695-I740 WeakPolarHBondContact O-CA 3.18Å; V695-I740 WeakPolarHBondContact O-CG2 3.42Å; V695-Y741 PolarHBondContact O-N 2.77Å; V695-N742 PolarHBondContact O-N 2.93Å
696	P	34.6	Very low	32	Very low	49 Å²	49	102.8 Å²	102.8	32%	0.318	57%	0.569	S	S	.	*	B	Isolated β-bridge		-110.9	163.8	-122.4	40.1	-26	0	0	0	118.9	T738 L739 N742	P696-T738 HydrophobicContact CG-CG2 4.47Å; P696-L739 WeakPolarHBondContact CA-O 3.46Å; P696-L739 WeakPolarHBondContact CB-O 3.4Å; P696-N742 WeakPolarHBondContact O-CA 3.47Å; P696-N742 WeakPolarHBondContact O-CB 3.45Å; P696-N742 PolarHBondContact O-OD1 3.23Å
697	G	38.2	Very low	32.1	Very low	20 Å²	20	102.6 Å²	102.6	21%	0.206	56%	0.556	C	S	.	*			trans	-167.3	116.6	172.3	0	0	0	0	0	122.6	Y741	G697-Y741 WeakPolarHBondContact CA-O 3.35Å; G697-Y741 VanDerWaalsContact N-C 3.31Å; G697-Y741 PolarHBondContact N-O 3.48Å
698	V	33.8	Very low	32.1	Very low	119 Å²	119	104.3 Å²	104.3	72%	0.721	56%	0.557	S	S	*	*			trans	55.3	147.2	131.4	-153.5	0	0	0	0	122.5
699	M	32.4	Very low	32.1	Very low	147 Å²	147	107.3 Å²	107.3	72%	0.724	57%	0.569	S	S	*	*				173.8	150.2	-56.4	-93.9	-102.8	-86.4	0	0	113.2
700	N	33	Very low	32	Very low	119 Å²	119	103.7 Å²	103.7	64%	0.636	56%	0.558	S	S	*	*			trans	74.3	168.5	143.8	-85.6	-15.3	0	0	0	121.4
701	L	31.6	Very low	32.1	Very low	117 Å²	117	104 Å²	104	61%	0.613	56%	0.557	S	S	*	*			cis	-162.6	172.8	8.4	-131.8	166.2	0	0	0	114.5
702	R	30.6	Very low	31.8	Very low	113 Å²	113	107.3 Å²	107.3	43%	0.426	57%	0.57	S	S	.	*			trans	93	141	159.6	-69	171.7	-168.4	163.3	10.6	116.4	L704 G793 L794	R702-L704 HydrophobicContact CG-CD1 4.14Å; R702-L704 HydrophobicContact CG-CG 4.23Å; R702-G793 PolarHBondContact NH1-O 2.96Å; R702-L794 VanDerWaalsContact NE-CD2 3.33Å
703	I	31.3	Very low	31.6	Very low	160 Å²	160	107.3 Å²	107.3	82%	0.821	57%	0.57	S	S	*	*			cis	-101.7	-154	25	-69.3	170.1	0	0	0	114.5
704	L	29.7	Very low	31.7	Very low	85 Å²	85	109.1 Å²	109.1	45%	0.445	57%	0.574	S	S	.	*			trans	-161.9	162.9	-139.1	-71.2	168.5	0	0	0	112.4	R702 L794	R702-L704 HydrophobicContact CG-CD1 4.14Å; R702-L704 HydrophobicContact CG-CG 4.23Å; L704-L794 HydrophobicContact CD1-CD2 3.29Å
705	S	28.9	Very low	31.8	Very low	54 Å²	54	107 Å²	107	38%	0.378	58%	0.577	S	S	.	*			cis	-169.8	-24.8	-19.6	60	0	0	0	0	120.3	R707	S705-R707 PolarHBondContact O-NH1 3.17Å
706	P	35.9	Very low	31.8	Very low	85 Å²	85	109 Å²	109	55%	0.552	59%	0.593	S	S	*	*			trans	-97	167	-168.4	37.9	-36.1	0	0	0	114.8
707	R	32.8	Very low	31.7	Very low	91 Å²	91	115.3 Å²	115.3	34%	0.343	62%	0.618	S	S	.	*			cis	116.9	154	1.3	-77.2	-174.1	-167	84.8	3.9	116.6	S705 L729 S730	S705-R707 PolarHBondContact O-NH1 3.17Å; R707-L729 PolarHBondContact NE-O 3.13Å; R707-S730 PolarHBondContact NH2-OG 2.96Å
708	F	28.4	Very low	31.6	Very low	123 Å²	123	120.5 Å²	120.5	54%	0.539	65%	0.645	S	S	.	*			cis	-115.4	-166.8	21.4	-66.1	-89.6	0	0	0	113	P726 T727 Y728	F708-P726 WeakPolarHBondContact CZ-O 3.46Å; F708-T727 WeakPolarHBondContact CE1-O 3.17Å; F708-T727 WeakPolarHBondContact CZ-O 3.42Å; F708-Y728 WeakPolarHBondContact CE1-O 3.06Å
709	L	30.7	Very low	31.5	Very low	155 Å²	155	121.5 Å²	121.5	81%	0.812	65%	0.646	S	S	*	*			cis	-132.6	170.4	11.2	-74.3	85.8	0	0	0	110.2
710	S	32	Very low	31.3	Very low	100 Å²	100	124.3 Å²	124.3	70%	0.699	65%	0.65	S	S	*	*			cis	83	146	21.4	-148.1	0	0	0	0	115.3
711	P	33.5	Very low	31	Very low	104 Å²	104	122 Å²	122	68%	0.675	65%	0.647	S	S	*	*			cis	-119.6	152	1.5	39.8	-26.4	0	0	0	116.3
712	L	31.6	Very low	30.7	Very low	151 Å²	151	120.6 Å²	120.6	79%	0.791	65%	0.647	S	S	*	*				173.8	129.6	111.5	-90.3	170.1	0	0	0	112.9
713	I	29.7	Very low	30.4	Very low	132 Å²	132	121.2 Å²	121.2	68%	0.677	66%	0.658	S	S	*	*			trans	80.9	104.2	146.9	-67.1	166.9	0	0	0	120.4
714	F	27.2	Very low	30.1	Very low	188 Å²	188	120.3 Å²	120.3	83%	0.825	65%	0.654	S	S	*	*			trans	55.2	145.6	144.3	-68.9	-109.1	0	0	0	119.8
715	S	29.3	Very low	29.9	Very low	95 Å²	95	119.1 Å²	119.1	66%	0.664	65%	0.653	S	S	*	*			cis	-175	172.2	-10.3	-114.4	0	0	0	0	109.2
716	S	32	Very low	29.8	Very low	83 Å²	83	120.1 Å²	120.1	58%	0.58	66%	0.658	S	S	*	*			cis	179.8	146.9	-38	54.1	0	0	0	0	111
717	Q	32.7	Very low	29.4	Very low	181 Å²	181	119.1 Å²	119.1	85%	0.846	65%	0.65	S	S	*	*			trans	75.6	134.7	168.3	-53.6	172.4	9.2	0	0	116.4
718	T	36.6	Very low	29	Very low	128 Å²	128	121 Å²	121	79%	0.785	66%	0.658	S	S	*	*				-146.5	148.6	61.7	36.4	0	0	0	0	116.5
719	L	30.8	Very low	29.1	Very low	141 Å²	141	122 Å²	122	74%	0.738	67%	0.668	S	S	*	*			trans	65.8	-115.9	162.2	-60	179.3	0	0	0	118.7
720	Y	29.1	Very low	29.3	Very low	206 Å²	206	118.5 Å²	118.5	81%	0.808	66%	0.657	S	S	*	*			trans	-145.5	166.6	-133.3	-70.9	-24.1	0	0	0	111.7
721	A	26.5	Very low	29.3	Very low	70 Å²	70	119.1 Å²	119.1	58%	0.579	66%	0.659	S	S	*	*			cis	-170.5	177.9	-10	0	0	0	0	0	106.3
722	S	25.3	Very low	29.1	Very low	87 Å²	87	121.6 Å²	121.6	61%	0.608	67%	0.665	S	S	*	*			cis	-159.8	150.1	-23.2	43.8	0	0	0	0	105
723	I	25.3	Very low	29.1	Very low	126 Å²	126	119.8 Å²	119.8	65%	0.646	66%	0.66	S	S	*	*	S	Bend	cis	-124.7	142.6	29.6	-74.7	169.5	0	0	0	111.4
724	L	25.1	Very low	29.1	Very low	141 Å²	141	120.2 Å²	120.2	74%	0.738	66%	0.659	S	S	*	*	S	Bend	trans	50.8	100.7	161.7	-70.9	161	0	0	0	122.5
725	S	23.5	Very low	28.9	Very low	60 Å²	60	116.2 Å²	116.2	42%	0.42	65%	0.651	S	S	.	*			trans	70.7	130.5	142.3	69.2	0	0	0	0	122.4	L796 S797	S725-L796 WeakPolarHBondContact O-CB 3.49Å; S725-L796 VanDerWaalsContact O-CD1 3.27Å; S725-L796 WeakPolarHBondContact O-CD1 3.48Å; S725-L796 WeakPolarHBondContact O-CD2 3.16Å; S725-L796 WeakPolarHBondContact O-CG 3.31Å; S725-S797 PolarHBondContact O-OG 2.62Å
726	P	27.7	Very low	28.8	Very low	75 Å²	75	116.7 Å²	116.7	49%	0.487	65%	0.646	S	S	.	*				-140.3	-158.6	-120.1	41.8	-21.3	0	0	0	116.6	F708 L796	F708-P726 WeakPolarHBondContact CZ-O 3.46Å; P726-L796 HydrophobicContact CB-CD1 3.97Å
727	T	27.4	Very low	28.4	Very low	64 Å²	64	118.9 Å²	118.9	39%	0.393	66%	0.659	S	S	.	*			trans	75	134.4	161.6	48.8	0	0	0	0	117.7	F708	F708-T727 WeakPolarHBondContact CE1-O 3.17Å; F708-T727 WeakPolarHBondContact CZ-O 3.42Å
728	Y	25.6	Very low	28.2	Very low	131 Å²	131	114.5 Å²	114.5	51%	0.514	65%	0.645	S	S	.	*			cis	69.2	145.9	41.5	-47	-36.8	0	0	0	113.9	F708	F708-Y728 WeakPolarHBondContact CE1-O 3.06Å
729	L	30.2	Very low	27.9	Very low	143 Å²	143	115.4 Å²	115.4	75%	0.749	65%	0.645	S	S	*	*			cis	-118.9	170.9	0.4	-74.1	80.8	0	0	0	112.2	R707	R707-L729 PolarHBondContact NE-O 3.13Å
730	S	33.5	Very low	27.6	Very low	83 Å²	83	113.7 Å²	113.7	58%	0.58	64%	0.635	S	S	*	*			trans	-140.1	140.2	153.2	48.9	0	0	0	0	106.9	R707	R707-S730 PolarHBondContact NH2-OG 2.96Å
731	P	32.4	Very low	27.7	Very low	112 Å²	112	111.3 Å²	111.3	73%	0.727	63%	0.626	S	S	*	*			trans	-114.5	131.3	163.8	30.3	-16.5	0	0	0	111.3
732	L	28.8	Very low	27.7	Very low	156 Å²	156	113.4 Å²	113.4	82%	0.817	63%	0.627	S	S	*	*				70.8	158.6	83.2	-86.4	73.9	0	0	0	114
733	V	32.4	Very low	28	Very low	113 Å²	113	115.9 Å²	115.9	69%	0.685	63%	0.634	S	S	*	*			cis	-166.3	166.2	-40.7	84.1	0	0	0	0	105.4
734	E	28.9	Very low	28.2	Very low	141 Å²	141	120.9 Å²	120.9	66%	0.659	64%	0.644	S	S	*	*				-161.3	135.6	75.3	-77.2	-174.2	133.9	0	0	111.1	N736	E734-N736 PolarHBondContact OE1-ND2 3.14Å; E734-N736 PolarHBondContact OE2-ND2 2.83Å
735	T	24.8	Very low	28.8	Very low	104 Å²	104	118.3 Å²	118.3	64%	0.638	63%	0.63	S	S	*	*			trans	-115.8	82.9	155.1	49.3	0	0	0	0	107.8	I612 C737	I612-T735 HydrophobicContact CD1-CG2 4Å; T735-C737 VanDerWaalsContact C-N 3.28Å; T735-C737 PolarHBondContact O-N 3.47Å
736	N	26.5	Very low	29.5	Very low	106 Å²	106	117.5 Å²	117.5	57%	0.567	63%	0.625	S	S	*	*			trans	-80.4	75.3	-175	-76.7	-5.7	0	0	0	112.3	E734	E734-N736 PolarHBondContact OE1-ND2 3.14Å; E734-N736 PolarHBondContact OE2-ND2 2.83Å
737	C	24.6	Very low	30.4	Very low	128 Å²	128	118.5 Å²	118.5	87%	0.865	63%	0.626	S	S	*	*			trans	-117.8	89.6	154.3	-78	0	0	0	0	107.3	T735	T735-C737 VanDerWaalsContact C-N 3.28Å; T735-C737 PolarHBondContact O-N 3.47Å
738	T	28.5	Very low	31.2	Very low	90 Å²	90	119 Å²	119	55%	0.552	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-83.8	119.6	-177.3	40.8	0	0	0	0	110.5	V695 P696	V695-T738 VanDerWaalsContact CG1-O 3.3Å; V695-T738 WeakPolarHBondContact CG1-O 3.25Å; P696-T738 HydrophobicContact CG-CG2 4.47Å
739	L	29.4	Very low	32.2	Very low	147 Å²	147	116.1 Å²	116.1	77%	0.77	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-95.8	121	-172.6	-134.7	177.1	0	0	0	111.5	P696 Y741	P696-L739 WeakPolarHBondContact CA-O 3.46Å; P696-L739 WeakPolarHBondContact CB-O 3.4Å; L739-Y741 PolarHBondContact O-N 2.83Å
740	I	25.4	Very low	33.2	Very low	105 Å²	105	113.1 Å²	113.1	54%	0.538	60%	0.604	S	S	.	*	B	Isolated β-bridge	trans	-56.1	117.3	-173	-47.7	179.1	0	0	0	111.5	F694 V695	F694-I740 VanDerWaalsContact O-CD1 3.25Å; F694-I740 WeakPolarHBondContact O-CD1 3.26Å; F694-I740 WeakPolarHBondContact O-CG1 3.26Å; F694-I740 WeakPolarHBondContact O-CG2 3.4Å; V695-I740 HydrophobicContact CG1-CG1 4.25Å; V695-I740 WeakPolarHBondContact O-CA 3.18Å; V695-I740 WeakPolarHBondContact O-CG2 3.42Å
741	Y	29.2	Very low	34.3	Very low	156 Å²	156	110.2 Å²	110.2	61%	0.612	58%	0.582	S	S	*	*			trans	-174.7	32.8	175.9	-117.1	-66.6	0	0	0	114	V695 G697 L739 D743	V695-Y741 PolarHBondContact O-N 2.77Å; G697-Y741 WeakPolarHBondContact CA-O 3.35Å; G697-Y741 VanDerWaalsContact N-C 3.31Å; G697-Y741 PolarHBondContact N-O 3.48Å; L739-Y741 PolarHBondContact O-N 2.83Å; Y741-D743 PolarHBondContact O-N 2.92Å
742	N	27.5	Very low	35.9	Very low	113 Å²	113	108.4 Å²	108.4	60%	0.604	56%	0.561	S	S	*	*			trans	-78.7	48.5	-177	-144.9	15.3	0	0	0	114.3	V695 P696	V695-N742 PolarHBondContact O-N 2.93Å; P696-N742 WeakPolarHBondContact O-CA 3.47Å; P696-N742 WeakPolarHBondContact O-CB 3.45Å; P696-N742 PolarHBondContact O-OD1 3.23Å
743	D	31.5	Very low	37.4	Very low	139 Å²	139	106.9 Å²	106.9	74%	0.743	55%	0.545	S	S	*	.	S	Bend	trans	-127	144.3	162.3	-122.5	-39.9	0	0	0	107.5	Y741 I745	Y741-D743 PolarHBondContact O-N 2.92Å; D743-I745 PolarHBondContact O-N 3.39Å
744	R	29.4	Very low	38.7	Very low	232 Å²	232	107.1 Å²	107.1	88%	0.875	54%	0.537	S	S	*	.			trans	-62	113.3	-177	-65.7	174.8	-179.3	167.9	-1.8	108.4	S746	R744-S746 PolarHBondContact O-N 2.9Å
745	I	38.5	Very low	40.7	Very low	86 Å²	86	107.8 Å²	107.8	44%	0.441	53%	0.533	S	S	.	.			trans	-56.7	99.4	148.6	-62.1	179.1	0	0	0	103.5	D743 V749 L750	D743-I745 PolarHBondContact O-N 3.39Å; I745-V749 HydrophobicContact CG2-CB 3.97Å; I745-V749 HydrophobicContact CG2-CG1 4.03Å; I745-L750 HydrophobicContact CG2-CB 4.42Å; I745-L750 HydrophobicContact CG2-CD1 4.47Å
746	S	37.8	Very low	42.8	Very low	44 Å²	44	103.8 Å²	103.8	31%	0.308	51%	0.508	S	S	.	.			trans	-58.2	147.4	-171	49	0	0	0	0	108.2	R744 Q748 V749 L750	R744-S746 PolarHBondContact O-N 2.9Å; S746-Q748 CarbonylContact O-C 3.51Å; S746-Q748 PolarHBondContact O-N 3.2Å; S746-V749 PolarHBondContact O-N 2.9Å; S746-L750 PolarHBondContact O-N 2.81Å
747	D	47.3	Very low	45.1	Very low	95 Å²	95	102.1 Å²	102.1	51%	0.508	50%	0.502	S	S	.	.	H	α-helix	trans	-53.2	-22.5	173	-56	-85.5	0	0	0	110.2	N751 E789	D747-N751 WeakPolarHBondContact O-CB 3.4Å; D747-N751 PolarHBondContact O-N 3.33Å; D747-N751 VanDerWaalsContact O-N 3.07Å; D747-E789 HydrophobicContact CB-CG 4.25Å; D747-E789 PolarHBondContact O-N 3.24Å
748	Q	43.7	Very low	47.1	Very low	75 Å²	75	102.7 Å²	102.7	35%	0.35	49%	0.492	S	S	.	.	H	α-helix	trans	-54.8	-53.6	165.2	-52.3	-146.5	-37.5	0	0	115.9	S746 W752 V787 P788 E789	S746-Q748 CarbonylContact O-C 3.51Å; S746-Q748 PolarHBondContact O-N 3.2Å; Q748-W752 PolarHBondContact O-N 2.83Å; Q748-V787 HydrophobicContact CB-CG2 3.97Å; Q748-V787 HydrophobicContact CG-CG2 4.36Å; Q748-V787 WeakPolarHBondContact O-CA 3.3Å; Q748-P788 VanDerWaalsContact CA-CB 3.48Å; Q748-P788 HydrophobicContact CB-CB 3.77Å; Q748-P788 HydrophobicContact CG-CB 3.69Å; Q748-P788 WeakPolarHBondContact O-CA 3.21Å; Q748-E789 VanDerWaalsContact CG-OE1 3.29Å; Q748-E789 WeakPolarHBondContact CG-OE1 3.05Å; Q748-E789 PolarHBondContact NE2-OE1 2.93Å
749	V	47.1	Very low	49	Very low	71 Å²	71	105.9 Å²	105.9	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-75.3	-38.7	179.9	175.9	0	0	0	0	111.2	I745 S746 N751 W752 Y753	I745-V749 HydrophobicContact CG2-CB 3.97Å; I745-V749 HydrophobicContact CG2-CG1 4.03Å; S746-V749 PolarHBondContact O-N 2.9Å; V749-N751 VanDerWaalsContact C-N 3.34Å; V749-N751 PolarHBondContact O-N 2.81Å; V749-W752 WeakPolarHBondContact O-CB 3.3Å; V749-W752 PolarHBondContact O-N 3.4Å; V749-Y753 PolarHBondContact O-N 3.32Å; V749-Y753 VanDerWaalsContact O-N 3.07Å
750	L	51.1	Low	51.2	Low	79 Å²	79	102.1 Å²	102.1	41%	0.414	48%	0.481	S	S	.	.	H	α-helix	trans	-62.6	-41.8	179.8	-161.5	81.3	0	0	0	111.4	I745 S746 Y753 K754	I745-L750 HydrophobicContact CG2-CB 4.42Å; I745-L750 HydrophobicContact CG2-CD1 4.47Å; S746-L750 PolarHBondContact O-N 2.81Å; L750-Y753 PolarHBondContact O-N 2.88Å; L750-K754 WeakPolarHBondContact O-CG 3.23Å; L750-K754 PolarHBondContact O-N 2.81Å
751	N	56.1	Low	53.1	Low	23 Å²	23	98.9 Å²	98.9	12%	0.123	46%	0.463	C	S	.	.	H	α-helix	trans	-74.9	-26.1	175.4	-105.9	36.7	0	0	0	114	D747 V749 Y753 K754 R755 P788 E789	D747-N751 WeakPolarHBondContact O-CB 3.4Å; D747-N751 PolarHBondContact O-N 3.33Å; D747-N751 VanDerWaalsContact O-N 3.07Å; V749-N751 VanDerWaalsContact C-N 3.34Å; V749-N751 PolarHBondContact O-N 2.81Å; N751-Y753 VanDerWaalsContact C-N 3.28Å; N751-K754 CarbonylContact O-C 3.52Å; N751-K754 PolarHBondContact O-N 2.92Å; N751-K754 WeakPolarHBondContact OD1-CD 3.05Å; N751-K754 WeakPolarHBondContact OD1-CE 3.23Å; N751-K754 PolarHBondContact OD1-NZ 3.46Å; N751-R755 WeakPolarHBondContact O-CB 3.34Å; N751-R755 WeakPolarHBondContact O-CD 3.33Å; N751-R755 WeakPolarHBondContact O-CG 3.27Å; N751-R755 PolarHBondContact O-N 3.12Å; N751-P788 VanDerWaalsContact CB-O 3.3Å; N751-P788 WeakPolarHBondContact CB-O 3.45Å; N751-P788 PolarHBondContact ND2-O 3.49Å; N751-E789 VanDerWaalsContact ND2-C 3.27Å; N751-E789 PolarHBondContact ND2-O 3.35Å
752	W	66.2	Low	54.8	Low	73 Å²	73	95.9 Å²	95.9	28%	0.277	46%	0.455	S	S	.	.	H	α-helix	trans	-59.8	-44.5	167.5	171.7	75.7	0	0	0	110.5	Q748 V749 K754 R755 L756 L764 A785 Q786	Q748-W752 PolarHBondContact O-N 2.83Å; V749-W752 WeakPolarHBondContact O-CB 3.3Å; V749-W752 PolarHBondContact O-N 3.4Å; W752-K754 VanDerWaalsContact C-N 3.3Å; W752-K754 PolarHBondContact O-N 3.01Å; W752-R755 WeakPolarHBondContact O-CA 3.47Å; W752-R755 WeakPolarHBondContact O-CB 3.1Å; W752-R755 PolarHBondContact O-N 3.31Å; W752-L756 HydrophobicContact CD2-CD1 3.81Å; W752-L756 HydrophobicContact CE3-CD1 4.4Å; W752-L756 HydrophobicContact CG-CD1 4.22Å; W752-L756 HydrophobicContact CH2-CD1 4.24Å; W752-L756 HydrophobicContact CH2-CD2 4.29Å; W752-L756 HydrophobicContact CZ2-CD1 3.62Å; W752-L756 HydrophobicContact CZ2-CD2 4.29Å; W752-L756 VanDerWaalsContact O-CD1 3.23Å; W752-L756 WeakPolarHBondContact O-CD1 3.47Å; W752-L756 PolarHBondContact O-N 2.93Å; W752-L764 HydrophobicContact CH2-CD1 4.49Å; W752-A785 VanDerWaalsContact NE1-C 3.34Å; W752-A785 PolarHBondContact NE1-O 2.97Å; W752-Q786 VanDerWaalsContact CD1-C 3.41Å; W752-Q786 VanDerWaalsContact NE1-N 3.12Å
753	Y	58.9	Low	56.8	Low	124 Å²	124	94.3 Å²	94.3	49%	0.486	45%	0.446	S	S	.	.	H	α-helix	trans	-65.5	-29.3	174.2	-166.5	-98	0	0	0	113.5	V749 L750 N751 K761	V749-Y753 PolarHBondContact O-N 3.32Å; V749-Y753 VanDerWaalsContact O-N 3.07Å; L750-Y753 PolarHBondContact O-N 2.88Å; N751-Y753 VanDerWaalsContact C-N 3.28Å; Y753-K761 HydrophobicContact CE1-CD 4.34Å; Y753-K761 HydrophobicContact CE2-CG 4.19Å; Y753-K761 WeakPolarHBondContact O-CE 3.38Å
754	K	60.7	Low	58.5	Low	119 Å²	119	91.4 Å²	91.4	52%	0.517	43%	0.43	S	S	.	.	H	α-helix	trans	-74.3	-25.2	168.5	-62.4	-177.6	-153.8	152.5	0	113.8	L750 N751 W752 E790	L750-K754 WeakPolarHBondContact O-CG 3.23Å; L750-K754 PolarHBondContact O-N 2.81Å; N751-K754 CarbonylContact O-C 3.52Å; N751-K754 PolarHBondContact O-N 2.92Å; N751-K754 WeakPolarHBondContact OD1-CD 3.05Å; N751-K754 WeakPolarHBondContact OD1-CE 3.23Å; N751-K754 PolarHBondContact OD1-NZ 3.46Å; W752-K754 VanDerWaalsContact C-N 3.3Å; W752-K754 PolarHBondContact O-N 3.01Å; K754-E790 PolarHBondContact NZ-O 2.87Å
755	R	70.8	Confident	60.1	Low	154 Å²	154	85.4 Å²	85.4	58%	0.581	42%	0.415	S	S	*	.	H	α-helix	trans	-80.6	-23.6	177.4	-76	164.1	178	-140	-11.6	112.7	N751 W752 V787 P788	N751-R755 WeakPolarHBondContact O-CB 3.34Å; N751-R755 WeakPolarHBondContact O-CD 3.33Å; N751-R755 WeakPolarHBondContact O-CG 3.27Å; N751-R755 PolarHBondContact O-N 3.12Å; W752-R755 WeakPolarHBondContact O-CA 3.47Å; W752-R755 WeakPolarHBondContact O-CB 3.1Å; W752-R755 PolarHBondContact O-N 3.31Å; R755-V787 WeakPolarHBondContact CD-O 3.41Å; R755-V787 PolarHBondContact NH1-O 2.82Å; R755-P788 PolarHBondContact NH2-O 3.37Å
756	L	69.7	Low	61.5	Low	21 Å²	21	86.2 Å²	86.2	11%	0.11	42%	0.415	C	S	.	.	S	Bend	trans	-62	133.9	168.3	-95.9	70.1	0	0	0	110.3	W752 D760 K761 L764	W752-L756 HydrophobicContact CD2-CD1 3.81Å; W752-L756 HydrophobicContact CE3-CD1 4.4Å; W752-L756 HydrophobicContact CG-CD1 4.22Å; W752-L756 HydrophobicContact CH2-CD1 4.24Å; W752-L756 HydrophobicContact CH2-CD2 4.29Å; W752-L756 HydrophobicContact CZ2-CD1 3.62Å; W752-L756 HydrophobicContact CZ2-CD2 4.29Å; W752-L756 VanDerWaalsContact O-CD1 3.23Å; W752-L756 WeakPolarHBondContact O-CD1 3.47Å; W752-L756 PolarHBondContact O-N 2.93Å; L756-D760 HydrophobicContact CB-CB 3.85Å; L756-D760 HydrophobicContact CD2-CB 3.77Å; L756-D760 HydrophobicContact CG-CB 3.58Å; L756-K761 HydrophobicContact CB-CG 4.09Å; L756-K761 VanDerWaalsContact O-CE 3.26Å; L756-K761 WeakPolarHBondContact O-CE 3.35Å; L756-K761 PolarHBondContact O-NZ 3.39Å; L756-L764 HydrophobicContact CD2-CD1 3.48Å; L756-L764 VanDerWaalsContact CD2-CD1 3.48Å
757	T	74.1	Confident	63	Low	71 Å²	71	89.9 Å²	89.9	44%	0.436	43%	0.425	S	S	.	.			trans	-65	165	171.4	64.8	0	0	0	0	110.4	E759 D760 K761	T757-E759 PolarHBondContact O-N 3.15Å; T757-E759 PolarHBondContact OG1-N 2.86Å; T757-D760 WeakPolarHBondContact CB-OD2 3.36Å; T757-D760 PolarHBondContact N-OD2 2.81Å; T757-D760 PolarHBondContact O-N 2.79Å; T757-D760 PolarHBondContact OG1-N 3.21Å; T757-D760 PolarHBondContact OG1-OD2 3.25Å; T757-K761 WeakPolarHBondContact O-CG 3.37Å; T757-K761 PolarHBondContact O-N 3.48Å
758	E	66.4	Low	63.2	Low	139 Å²	139	87.4 Å²	87.4	65%	0.65	42%	0.418	S	S	*	.	H	α-helix	trans	-61.9	-31.3	168.7	-67	-56.7	118.3	0	0	110.9	K761 E762	E758-K761 PolarHBondContact O-N 3.4Å; E758-K761 WeakPolarHBondContact OE1-CD 3.43Å; E758-K761 IonicContact OE1-NZ 2.74Å; E758-K761 PolarHBondContact OE1-NZ 2.84Å; E758-E762 WeakPolarHBondContact O-CB 3.18Å; E758-E762 PolarHBondContact O-N 2.85Å
759	E	68.1	Low	63.6	Low	157 Å²	157	88 Å²	88	73%	0.734	42%	0.423	S	S	*	.	H	α-helix	trans	-63.4	-41.5	172.4	-61.2	-179.2	-171.5	0	0	112.1	T757 L763	T757-E759 PolarHBondContact O-N 3.15Å; T757-E759 PolarHBondContact OG1-N 2.86Å; E759-L763 WeakPolarHBondContact O-CA 3.45Å; E759-L763 WeakPolarHBondContact O-CB 3.38Å; E759-L763 PolarHBondContact O-N 2.67Å
760	D	75.4	Confident	64.6	Low	69 Å²	69	88.3 Å²	88.3	37%	0.369	43%	0.425	S	S	.	.	H	α-helix	trans	-67.6	-40.4	176.4	-64.8	-63.7	0	0	0	112.2	L756 T757 L763 L764	L756-D760 HydrophobicContact CB-CB 3.85Å; L756-D760 HydrophobicContact CD2-CB 3.77Å; L756-D760 HydrophobicContact CG-CB 3.58Å; T757-D760 WeakPolarHBondContact CB-OD2 3.36Å; T757-D760 PolarHBondContact N-OD2 2.81Å; T757-D760 PolarHBondContact O-N 2.79Å; T757-D760 PolarHBondContact OG1-N 3.21Å; T757-D760 PolarHBondContact OG1-OD2 3.25Å; D760-L763 PolarHBondContact O-N 3.16Å; D760-L764 WeakPolarHBondContact O-CB 3.47Å; D760-L764 WeakPolarHBondContact O-CG 3.34Å; D760-L764 PolarHBondContact O-N 3.37Å
761	K	65.6	Low	64.6	Low	36 Å²	36	86.9 Å²	86.9	16%	0.157	42%	0.424	C	S	.	.	H	α-helix	trans	-66.9	-44.9	176.4	-67.9	165.9	-169.9	135.9	0	110.8	Y753 L756 T757 E758 L763 L764 L765	Y753-K761 HydrophobicContact CE1-CD 4.34Å; Y753-K761 HydrophobicContact CE2-CG 4.19Å; Y753-K761 WeakPolarHBondContact O-CE 3.38Å; L756-K761 HydrophobicContact CB-CG 4.09Å; L756-K761 VanDerWaalsContact O-CE 3.26Å; L756-K761 WeakPolarHBondContact O-CE 3.35Å; L756-K761 PolarHBondContact O-NZ 3.39Å; T757-K761 WeakPolarHBondContact O-CG 3.37Å; T757-K761 PolarHBondContact O-N 3.48Å; E758-K761 PolarHBondContact O-N 3.4Å; E758-K761 WeakPolarHBondContact OE1-CD 3.43Å; E758-K761 IonicContact OE1-NZ 2.74Å; E758-K761 PolarHBondContact OE1-NZ 2.84Å; K761-L763 VanDerWaalsContact C-N 3.31Å; K761-L764 PolarHBondContact O-N 3.41Å; K761-L765 VanDerWaalsContact O-CB 3.31Å; K761-L765 WeakPolarHBondContact O-CB 3.34Å; K761-L765 PolarHBondContact O-N 2.65Å
762	E	65.1	Low	64.2	Low	94 Å²	94	88.5 Å²	88.5	44%	0.439	43%	0.432	S	S	.	.	H	α-helix	trans	-68.8	-31.9	176.7	-160.1	-149.8	-167.2	0	0	110.9	E758 L765 K766	E758-E762 WeakPolarHBondContact O-CB 3.18Å; E758-E762 PolarHBondContact O-N 2.85Å; E762-L765 PolarHBondContact O-N 2.74Å; E762-K766 HydrophobicContact CG-CD 4.22Å; E762-K766 WeakPolarHBondContact O-CB 3.25Å; E762-K766 WeakPolarHBondContact O-CD 3.33Å; E762-K766 WeakPolarHBondContact O-CG 3.31Å; E762-K766 PolarHBondContact O-N 2.78Å; E762-K766 WeakPolarHBondContact OE1-CE 3.32Å; E762-K766 IonicContact OE1-NZ 3.6Å; E762-K766 PolarHBondContact OE1-NZ 3.07Å; E762-K766 WeakPolarHBondContact OE2-CE 3.44Å; E762-K766 IonicContact OE2-NZ 3.62Å; E762-K766 PolarHBondContact OE2-NZ 3.32Å
763	L	69.4	Low	63.4	Low	80 Å²	80	88.4 Å²	88.4	42%	0.419	45%	0.447	S	S	.	.	H	α-helix	trans	-69.1	-39	171.4	180	64.2	0	0	0	111.9	E759 D760 K761 K767	E759-L763 WeakPolarHBondContact O-CA 3.45Å; E759-L763 WeakPolarHBondContact O-CB 3.38Å; E759-L763 PolarHBondContact O-N 2.67Å; D760-L763 PolarHBondContact O-N 3.16Å; K761-L763 VanDerWaalsContact C-N 3.31Å; L763-K767 HydrophobicContact CD1-CD 4.46Å; L763-K767 HydrophobicContact CG-CD 4.2Å; L763-K767 VanDerWaalsContact O-CB 3.27Å; L763-K767 WeakPolarHBondContact O-CB 3.27Å; L763-K767 WeakPolarHBondContact O-CD 3.47Å; L763-K767 WeakPolarHBondContact O-CG 3.33Å; L763-K767 PolarHBondContact O-N 2.73Å
764	L	66.4	Low	62.9	Low	78 Å²	78	87.5 Å²	87.5	41%	0.408	45%	0.448	S	S	.	.	H	α-helix	trans	-67	-40	170.8	-78.2	175.3	0	0	0	111.5	W752 L756 D760 K761 K767 A768	W752-L764 HydrophobicContact CH2-CD1 4.49Å; L756-L764 HydrophobicContact CD2-CD1 3.48Å; L756-L764 VanDerWaalsContact CD2-CD1 3.48Å; D760-L764 WeakPolarHBondContact O-CB 3.47Å; D760-L764 WeakPolarHBondContact O-CG 3.34Å; D760-L764 PolarHBondContact O-N 3.37Å; K761-L764 PolarHBondContact O-N 3.41Å; L764-K767 PolarHBondContact O-N 2.78Å; L764-A768 WeakPolarHBondContact O-CB 3.17Å; L764-A768 PolarHBondContact O-N 2.99Å
765	L	63.7	Low	61.9	Low	105 Å²	105	85.1 Å²	85.1	55%	0.55	46%	0.456	S	S	.	.	H	α-helix	trans	-64.6	-45.2	175.1	-166.1	77.5	0	0	0	110.9	K761 E762 A768 I769	K761-L765 VanDerWaalsContact O-CB 3.31Å; K761-L765 WeakPolarHBondContact O-CB 3.34Å; K761-L765 PolarHBondContact O-N 2.65Å; E762-L765 PolarHBondContact O-N 2.74Å; L765-A768 WeakPolarHBondContact O-CB 3.23Å; L765-A768 PolarHBondContact O-N 2.81Å; L765-I769 HydrophobicContact CD2-CD1 4.27Å; L765-I769 HydrophobicContact CG-CD1 3.91Å; L765-I769 WeakPolarHBondContact O-CB 3.14Å; L765-I769 VanDerWaalsContact O-CG1 3.23Å; L765-I769 WeakPolarHBondContact O-CG1 3.25Å; L765-I769 PolarHBondContact O-N 3.22Å
766	K	68.5	Low	60.6	Low	104 Å²	104	84.3 Å²	84.3	45%	0.452	46%	0.457	S	S	.	.	H	α-helix	trans	-63	-43.4	174	-76.7	166.2	176.4	170.4	0	111.2	E762 A768 I769 V770	E762-K766 HydrophobicContact CG-CD 4.22Å; E762-K766 WeakPolarHBondContact O-CB 3.25Å; E762-K766 WeakPolarHBondContact O-CD 3.33Å; E762-K766 WeakPolarHBondContact O-CG 3.31Å; E762-K766 PolarHBondContact O-N 2.78Å; E762-K766 WeakPolarHBondContact OE1-CE 3.32Å; E762-K766 IonicContact OE1-NZ 3.6Å; E762-K766 PolarHBondContact OE1-NZ 3.07Å; E762-K766 WeakPolarHBondContact OE2-CE 3.44Å; E762-K766 IonicContact OE2-NZ 3.62Å; E762-K766 PolarHBondContact OE2-NZ 3.32Å; K766-A768 VanDerWaalsContact C-N 3.34Å; K766-A768 PolarHBondContact O-N 2.93Å; K766-I769 PolarHBondContact O-N 3.35Å; K766-V770 VanDerWaalsContact O-CB 3.26Å; K766-V770 WeakPolarHBondContact O-CB 3.33Å; K766-V770 WeakPolarHBondContact O-CG2 3.23Å; K766-V770 PolarHBondContact O-N 3.39Å
767	K	69.9	Low	59.2	Low	120 Å²	120	91.3 Å²	91.3	52%	0.522	49%	0.489	S	S	.	.	H	α-helix	trans	-62.5	-38.9	173	-77.1	166.5	-179	169	0	112.2	L763 L764 A771	L763-K767 HydrophobicContact CD1-CD 4.46Å; L763-K767 HydrophobicContact CG-CD 4.2Å; L763-K767 VanDerWaalsContact O-CB 3.27Å; L763-K767 WeakPolarHBondContact O-CB 3.27Å; L763-K767 WeakPolarHBondContact O-CD 3.47Å; L763-K767 WeakPolarHBondContact O-CG 3.33Å; L763-K767 PolarHBondContact O-N 2.73Å; L764-K767 PolarHBondContact O-N 2.78Å; K767-A771 WeakPolarHBondContact O-CB 3.34Å; K767-A771 PolarHBondContact O-N 2.9Å
768	A	50.9	Low	57.1	Low	44 Å²	44	93 Å²	93	36%	0.364	51%	0.51	S	S	.	.	H	α-helix	trans	-65.2	-56.9	173.7	0	0	0	0	0	110.5	L764 L765 K766 V770 A771 I772	L764-A768 WeakPolarHBondContact O-CB 3.17Å; L764-A768 PolarHBondContact O-N 2.99Å; L765-A768 WeakPolarHBondContact O-CB 3.23Å; L765-A768 PolarHBondContact O-N 2.81Å; K766-A768 VanDerWaalsContact C-N 3.34Å; K766-A768 PolarHBondContact O-N 2.93Å; A768-V770 PolarHBondContact O-N 3.04Å; A768-A771 CarbonylContact O-C 3.51Å; A768-A771 WeakPolarHBondContact O-CA 3.23Å; A768-A771 WeakPolarHBondContact O-CB 3.23Å; A768-A771 PolarHBondContact O-N 3.26Å; A768-I772 WeakPolarHBondContact O-CB 3.45Å; A768-I772 WeakPolarHBondContact O-CG1 3.11Å; A768-I772 PolarHBondContact O-N 2.78Å
769	I	52.7	Low	55.5	Low	88 Å²	88	91.2 Å²	91.2	45%	0.451	51%	0.513	S	S	.	.	H	α-helix	trans	-52.6	-39.6	176.9	-68.6	164.5	0	0	0	111.4	L765 K766 I772 A773	L765-I769 HydrophobicContact CD2-CD1 4.27Å; L765-I769 HydrophobicContact CG-CD1 3.91Å; L765-I769 WeakPolarHBondContact O-CB 3.14Å; L765-I769 VanDerWaalsContact O-CG1 3.23Å; L765-I769 WeakPolarHBondContact O-CG1 3.25Å; L765-I769 PolarHBondContact O-N 3.22Å; K766-I769 PolarHBondContact O-N 3.35Å; I769-I772 PolarHBondContact O-N 2.85Å; I769-A773 WeakPolarHBondContact O-CB 3.44Å; I769-A773 PolarHBondContact O-N 2.75Å
770	V	66	Low	53.8	Low	76 Å²	76	91.1 Å²	91.1	46%	0.461	52%	0.517	S	S	.	.	H	α-helix	trans	-69.5	-38.4	175.2	168.2	0	0	0	0	112.5	K766 A768 Q774	K766-V770 VanDerWaalsContact O-CB 3.26Å; K766-V770 WeakPolarHBondContact O-CB 3.33Å; K766-V770 WeakPolarHBondContact O-CG2 3.23Å; K766-V770 PolarHBondContact O-N 3.39Å; A768-V770 PolarHBondContact O-N 3.04Å; V770-Q774 VanDerWaalsContact CG1-NE2 3.35Å; V770-Q774 VanDerWaalsContact O-CB 3.28Å; V770-Q774 WeakPolarHBondContact O-CB 3.39Å; V770-Q774 WeakPolarHBondContact O-CG 3.45Å; V770-Q774 PolarHBondContact O-N 3.3Å; V770-Q774 VanDerWaalsContact O-N 3.08Å
771	A	52.9	Low	51.8	Low	49 Å²	49	95.9 Å²	95.9	41%	0.405	54%	0.542	S	S	.	.	H	α-helix	trans	-66.9	-39.1	173.7	0	0	0	0	0	112.1	K767 A768	K767-A771 WeakPolarHBondContact O-CB 3.34Å; K767-A771 PolarHBondContact O-N 2.9Å; A768-A771 CarbonylContact O-C 3.51Å; A768-A771 WeakPolarHBondContact O-CA 3.23Å; A768-A771 WeakPolarHBondContact O-CB 3.23Å; A768-A771 PolarHBondContact O-N 3.26Å
772	I	46.8	Very low	50.4	Low	57 Å²	57	103.6 Å²	103.6	29%	0.292	58%	0.578	S	S	.	*	H	α-helix	trans	-62.5	-57	175.4	-67.3	177.9	0	0	0	110.3	A571 L575 A768 I769 Q774 G775	A571-I772 HydrophobicContact CB-CG2 4.4Å; A571-I772 VanDerWaalsContact O-CG2 3.31Å; A571-I772 WeakPolarHBondContact O-CG2 3.27Å; L575-I772 HydrophobicContact CD1-CB 3.79Å; L575-I772 HydrophobicContact CD1-CD1 3.86Å; L575-I772 HydrophobicContact CD1-CG1 3.37Å; L575-I772 HydrophobicContact CD1-CG2 3.46Å; L575-I772 VanDerWaalsContact CD1-CG2 3.46Å; A768-I772 WeakPolarHBondContact O-CB 3.45Å; A768-I772 WeakPolarHBondContact O-CG1 3.11Å; A768-I772 PolarHBondContact O-N 2.78Å; I769-I772 PolarHBondContact O-N 2.85Å; I772-Q774 PolarHBondContact O-N 3.44Å; I772-G775 PolarHBondContact O-N 3.49Å
773	A	48.7	Very low	48.7	Very low	71 Å²	71	109.7 Å²	109.7	59%	0.587	60%	0.597	S	S	*	*	H	α-helix	trans	-67.8	-17.1	-178.7	0	0	0	0	0	113.8	I769 G775	I769-A773 WeakPolarHBondContact O-CB 3.44Å; I769-A773 PolarHBondContact O-N 2.75Å; A773-G775 VanDerWaalsContact C-N 3.27Å
774	Q	50.2	Low	47	Very low	106 Å²	106	115.3 Å²	115.3	50%	0.495	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.1	-0.8	170.3	-77.5	-179.8	23	0	0	113.9	V770 I772 K776	V770-Q774 VanDerWaalsContact CG1-NE2 3.35Å; V770-Q774 VanDerWaalsContact O-CB 3.28Å; V770-Q774 WeakPolarHBondContact O-CB 3.39Å; V770-Q774 WeakPolarHBondContact O-CG 3.45Å; V770-Q774 PolarHBondContact O-N 3.3Å; V770-Q774 VanDerWaalsContact O-N 3.08Å; I772-Q774 PolarHBondContact O-N 3.44Å; Q774-K776 HydrophobicContact CB-CD 4.26Å; Q774-K776 HydrophobicContact CB-CG 4.33Å; Q774-K776 PolarHBondContact O-N 2.79Å; Q774-K776 VanDerWaalsContact O-N 3.08Å
775	G	39.5	Very low	45.4	Very low	68 Å²	68	114.8 Å²	114.8	70%	0.701	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	62.3	16.7	178	0	0	0	0	0	114.4	I772 A773	I772-G775 PolarHBondContact O-N 3.49Å; A773-G775 VanDerWaalsContact C-N 3.27Å
776	K	43.5	Very low	44.1	Very low	138 Å²	138	116.6 Å²	116.6	60%	0.6	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-83.4	118.8	-176.9	-77	172.8	-179.8	162.8	0	109.9	Q774 A778	Q774-K776 HydrophobicContact CB-CD 4.26Å; Q774-K776 HydrophobicContact CB-CG 4.33Å; Q774-K776 PolarHBondContact O-N 2.79Å; Q774-K776 VanDerWaalsContact O-N 3.08Å; K776-A778 PolarHBondContact O-N 3.42Å
777	Q	38.6	Very low	42.2	Very low	168 Å²	168	114 Å²	114	79%	0.785	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-51.5	122.2	171.2	-66.7	170.4	-62.8	0	0	110.2	S779	Q777-S779 WeakPolarHBondContact O-CB 3.05Å; Q777-S779 PolarHBondContact O-N 2.97Å; Q777-S779 PolarHBondContact O-OG 3.09Å
778	A	31.2	Very low	40.5	Very low	106 Å²	106	109.3 Å²	109.3	88%	0.876	61%	0.608	S	S	*	*	S	Bend	trans	-58.6	116.7	-173.9	0	0	0	0	0	111.6	K776	K776-A778 PolarHBondContact O-N 3.42Å
779	S	33	Very low	39.6	Very low	102 Å²	102	112 Å²	112	71%	0.713	61%	0.613	S	S	*	*			trans	-159.7	1.1	-167.4	51.2	0	0	0	0	117.3	Q777	Q777-S779 WeakPolarHBondContact O-CB 3.05Å; Q777-S779 PolarHBondContact O-N 2.97Å; Q777-S779 PolarHBondContact O-OG 3.09Å
780	L	31.5	Very low	38.6	Very low	155 Å²	155	114.4 Å²	114.4	81%	0.812	62%	0.622	S	S	*	*	S	Bend	trans	-142.1	-1.7	-158.3	-109.3	171.9	0	0	0	121.2
781	L	34.5	Very low	37	Very low	169 Å²	169	116.5 Å²	116.5	89%	0.885	64%	0.635	S	S	*	*			trans	-131.2	52.1	-179.7	-81.7	177.4	0	0	0	115	R783	L781-R783 VanDerWaalsContact C-N 3.35Å; L781-R783 PolarHBondContact O-N 2.98Å
782	E	34.6	Very low	35.9	Very low	198 Å²	198	118.3 Å²	118.3	93%	0.925	65%	0.65	S	S	*	*			trans	-91.4	56.8	167.5	-165.5	177.5	-158.1	0	0	111.4
783	R	30.9	Very low	35.2	Very low	222 Å²	222	118.2 Å²	118.2	84%	0.838	66%	0.664	S	S	*	*			trans	-147	120.9	176.2	-67.5	-168.3	172.7	-168.3	-3.9	112.8	L781	L781-R783 VanDerWaalsContact C-N 3.35Å; L781-R783 PolarHBondContact O-N 2.98Å
784	Q	31.8	Very low	34.3	Very low	198 Å²	198	118.4 Å²	118.4	93%	0.925	65%	0.654	S	S	*	*			trans	79	143.7	168.4	-51.5	168.6	-25.3	0	0	117.6
785	A	33.9	Very low	33.1	Very low	67 Å²	67	117.2 Å²	117.2	55%	0.554	65%	0.651	S	S	*	*			cis	173.4	158.2	-31.5	0	0	0	0	0	111.3	W752	W752-A785 VanDerWaalsContact NE1-C 3.34Å; W752-A785 PolarHBondContact NE1-O 2.97Å
786	Q	35.7	Very low	32.8	Very low	143 Å²	143	117.2 Å²	117.2	67%	0.668	63%	0.634	S	S	*	*			cis	-179.6	153.8	-22.5	-171.8	175.5	-17.2	0	0	113.5	W752	W752-Q786 VanDerWaalsContact CD1-C 3.41Å; W752-Q786 VanDerWaalsContact NE1-N 3.12Å
787	V	29.3	Very low	32.1	Very low	49 Å²	49	113.8 Å²	113.8	30%	0.297	63%	0.628	S	S	.	*			trans	72.4	149	153.2	138.5	0	0	0	0	124.2	Q748 R755	Q748-V787 HydrophobicContact CB-CG2 3.97Å; Q748-V787 HydrophobicContact CG-CG2 4.36Å; Q748-V787 WeakPolarHBondContact O-CA 3.3Å; R755-V787 WeakPolarHBondContact CD-O 3.41Å; R755-V787 PolarHBondContact NH1-O 2.82Å
788	P	34	Very low	31.9	Very low	21 Å²	21	110.9 Å²	110.9	14%	0.136	62%	0.624	C	S	.	*			cis	-146.8	179	-46.5	48.9	-28.1	0	0	0	122.3	Q748 N751 R755	Q748-P788 VanDerWaalsContact CA-CB 3.48Å; Q748-P788 HydrophobicContact CB-CB 3.77Å; Q748-P788 HydrophobicContact CG-CB 3.69Å; Q748-P788 WeakPolarHBondContact O-CA 3.21Å; N751-P788 VanDerWaalsContact CB-O 3.3Å; N751-P788 WeakPolarHBondContact CB-O 3.45Å; N751-P788 PolarHBondContact ND2-O 3.49Å; R755-P788 PolarHBondContact NH2-O 3.37Å
789	E	32.4	Very low	32.1	Very low	100 Å²	100	111.5 Å²	111.5	47%	0.467	62%	0.616	S	S	.	*			trans	69.3	137.7	148.1	-72.3	138.3	-156.7	0	0	128.5	D747 Q748 N751	D747-E789 HydrophobicContact CB-CG 4.25Å; D747-E789 PolarHBondContact O-N 3.24Å; Q748-E789 VanDerWaalsContact CG-OE1 3.29Å; Q748-E789 WeakPolarHBondContact CG-OE1 3.05Å; Q748-E789 PolarHBondContact NE2-OE1 2.93Å; N751-E789 VanDerWaalsContact ND2-C 3.27Å; N751-E789 PolarHBondContact ND2-O 3.35Å
790	E	32.5	Very low	32.2	Very low	139 Å²	139	113.4 Å²	113.4	65%	0.65	62%	0.617	S	S	*	*			trans	82.6	163.8	161.1	-87.4	-74.8	66.3	0	0	122	K754	K754-E790 PolarHBondContact NZ-O 2.87Å
791	V	32.4	Very low	32.2	Very low	121 Å²	121	112.8 Å²	112.8	73%	0.733	61%	0.614	S	S	*	*			cis	-155.7	-177	-8	66.8	0	0	0	0	112.7
792	A	29.5	Very low	32.2	Very low	87 Å²	87	110.1 Å²	110.1	72%	0.719	61%	0.605	S	S	*	*			trans	-144.7	150.4	-174.6	0	0	0	0	0	121.5
793	G	31.2	Very low	32.3	Very low	55 Å²	55	103.3 Å²	103.3	57%	0.567	58%	0.578	S	S	*	*			trans	-157	172.9	176.3	0	0	0	0	0	118.3	R702	R702-G793 PolarHBondContact NH1-O 2.96Å
794	L	29.1	Very low	32.5	Very low	75 Å²	75	98.8 Å²	98.8	39%	0.393	57%	0.566	S	S	.	*			trans	-160.6	172.6	-162.5	-74.8	179.8	0	0	0	119.5	R702 L704	R702-L794 VanDerWaalsContact NE-CD2 3.33Å; L704-L794 HydrophobicContact CD1-CD2 3.29Å
795	L	26.9	Very low	32.7	Very low	81 Å²	81	92.5 Å²	92.5	42%	0.424	54%	0.541	S	S	.	.			trans	93.3	152.8	151.1	-47.3	-172.8	0	0	0	121.4
796	L	31.3	Very low	32.7	Very low	68 Å²	68	92.8 Å²	92.8	36%	0.356	55%	0.551	S	S	.	*			cis	-151	-101	-16.5	-107	169	0	0	0	122.2	S725 P726	S725-L796 WeakPolarHBondContact O-CB 3.49Å; S725-L796 VanDerWaalsContact O-CD1 3.27Å; S725-L796 WeakPolarHBondContact O-CD1 3.48Å; S725-L796 WeakPolarHBondContact O-CD2 3.16Å; S725-L796 WeakPolarHBondContact O-CG 3.31Å; P726-L796 HydrophobicContact CB-CD1 3.97Å
797	S	30.5	Very low	32.8	Very low	65 Å²	65	93.3 Å²	93.3	46%	0.455	55%	0.554	S	S	.	*			trans	-156.4	-166	-155.4	78.3	0	0	0	0	117.6	S725	S725-S797 PolarHBondContact O-OG 2.62Å
798	P	34.3	Very low	33.2	Very low	108 Å²	108	95.7 Å²	95.7	70%	0.701	57%	0.57	S	S	*	*			cis	-127.5	-135.4	-13.2	28	-0.1	0	0	0	113.3
799	V	35.2	Very low	33.4	Very low	119 Å²	119	99.6 Å²	99.6	72%	0.721	60%	0.598	S	S	*	*			cis	-171.1	167	1.8	83	0	0	0	0	114.5
800	I	34.3	Very low	33.6	Very low	141 Å²	141	101 Å²	101	72%	0.723	61%	0.613	S	S	*	*			trans	67.9	138.6	159.6	-74.7	172.1	0	0	0	121
801	N	31.3	Very low	33.4	Very low	143 Å²	143	100.8 Å²	100.8	77%	0.765	62%	0.616	S	S	*	*			cis	-152.1	159.5	-13.2	-112.4	-2.4	0	0	0	113.7
802	T	34.2	Very low	33.4	Very low	112 Å²	112	98.2 Å²	98.2	69%	0.687	61%	0.614	S	S	*	*			trans	-127.3	-176.4	173.4	61.5	0	0	0	0	110.3
803	P	37.7	Very low	33.4	Very low	56 Å²	56	102.6 Å²	102.6	36%	0.364	62%	0.617	S	S	.	*				-157.7	177.1	79.3	40.3	-17.7	0	0	0	117.9	L624 S625	L624-P803 WeakPolarHBondContact CA-O 3.19Å; L624-P803 VanDerWaalsContact CG-O 3.32Å; L624-P803 WeakPolarHBondContact CG-O 3.13Å; S625-P803 PolarHBondContact N-O 2.96Å; S625-P803 VanDerWaalsContact N-O 3.08Å
804	Q	34.4	Very low	33.2	Very low	126 Å²	126	107 Å²	107	59%	0.589	63%	0.626	S	S	*	*			trans	149.1	-172.5	140.4	-65.8	-170.2	-64.1	0	0	118.7	S625 P626	S625-Q804 WeakPolarHBondContact O-CB 3.43Å; P626-Q804 HydrophobicContact CG-CB 3.73Å; P626-Q804 HydrophobicContact CG-CG 4.31Å
805	V	35.6	Very low	33.3	Very low	66 Å²	66	110.9 Å²	110.9	40%	0.4	65%	0.646	S	S	.	*			trans	-166.1	164.4	-151.4	122.7	0	0	0	0	112.1	S625 E807	S625-V805 PolarHBondContact OG-N 2.93Å; S625-V805 PolarHBondContact OG-O 3.23Å; V805-E807 HydrophobicContact CB-CG 4.47Å; V805-E807 HydrophobicContact CG1-CB 4.25Å; V805-E807 HydrophobicContact CG1-CG 3.88Å; V805-E807 HydrophobicContact CG2-CG 4.06Å; V805-E807 WeakPolarHBondContact CG2-OE1 3.22Å
806	G	33.8	Very low	33.4	Very low	74 Å²	74	114.7 Å²	114.7	76%	0.763	67%	0.665	S	S	*	*			trans	155.2	34.4	170.8	0	0	0	0	0	115.4
807	E	38	Very low	33.7	Very low	153 Å²	153	116.2 Å²	116.2	72%	0.715	68%	0.682	S	S	*	*				86.1	152.2	79	-99.7	-156.8	-143.1	0	0	115.3	V805	V805-E807 HydrophobicContact CB-CG 4.47Å; V805-E807 HydrophobicContact CG1-CB 4.25Å; V805-E807 HydrophobicContact CG1-CG 3.88Å; V805-E807 HydrophobicContact CG2-CG 4.06Å; V805-E807 WeakPolarHBondContact CG2-OE1 3.22Å
808	P	38.1	Very low	33.8	Very low	99 Å²	99	118.6 Å²	118.6	64%	0.643	70%	0.696	S	S	*	*				-142.1	-142.2	-114	44.3	-23.1	0	0	0	114.4
809	S	37.6	Very low	33.8	Very low	104 Å²	104	121.4 Å²	121.4	73%	0.727	70%	0.704	S	S	*	*			trans	92.9	159	167	-36.7	0	0	0	0	115.2
810	V	37.3	Very low	33.5	Very low	129 Å²	129	121.5 Å²	121.5	78%	0.782	70%	0.704	S	S	*	*			cis	-133.2	161.4	13.3	-178.8	0	0	0	0	111.6
811	L	28.6	Very low	33.4	Very low	135 Å²	135	125.3 Å²	125.3	71%	0.707	71%	0.711	S	S	*	*			trans	-51.5	156.3	172.1	-56.3	74.7	0	0	0	113.1
812	G	31.5	Very low	33.4	Very low	67 Å²	67	123.3 Å²	123.3	69%	0.691	71%	0.709	S	S	*	*				96.7	150.2	86.7	0	0	0	0	0	110.5
813	F	30.1	Very low	33.6	Very low	178 Å²	178	123.4 Å²	123.4	78%	0.781	71%	0.711	S	S	*	*			cis	-137.6	152.9	12	-63.8	-101	0	0	0	107.7
814	I	28.2	Very low	33.4	Very low	149 Å²	149	124.7 Å²	124.7	76%	0.764	73%	0.726	S	S	*	*				35	118.1	83.4	-51.8	176.3	0	0	0	113.5
815	I	31.3	Very low	33.2	Very low	156 Å²	156	122 Å²	122	80%	0.8	72%	0.719	S	S	*	*				-168.4	123.1	117.7	-90.7	152.1	0	0	0	107.6
816	L	28.2	Very low	32.8	Very low	160 Å²	160	124.7 Å²	124.7	84%	0.838	73%	0.73	S	S	*	*			trans	-77.2	154.8	168	-87.5	146.8	0	0	0	110.1
817	S	36.5	Very low	32.6	Very low	101 Å²	101	124.8 Å²	124.8	71%	0.706	72%	0.719	S	S	*	*			trans	-41.5	130.4	178.2	53.2	0	0	0	0	115.3
818	P	32.7	Very low	32.7	Very low	114 Å²	114	121.2 Å²	121.2	74%	0.74	71%	0.709	S	S	*	*			trans	-87.9	111.8	158.3	32.1	-27.5	0	0	0	110.1
819	L	34.8	Very low	32.6	Very low	168 Å²	168	118.5 Å²	118.5	88%	0.88	70%	0.695	S	S	*	*			trans	-69.3	137.9	151.8	-121.4	77.1	0	0	0	107.6
820	V	29.1	Very low	32.4	Very low	120 Å²	120	119.6 Å²	119.6	73%	0.727	69%	0.692	S	S	*	*			trans	-73.8	126.9	-175.2	-176.7	0	0	0	0	110.5
821	Y	31.9	Very low	32	Very low	221 Å²	221	122 Å²	122	87%	0.867	69%	0.693	S	S	*	*				176.4	161.4	120.7	-100.1	-73.9	0	0	0	111.9
822	S	31.1	Very low	32.1	Very low	102 Å²	102	121.4 Å²	121.4	71%	0.713	70%	0.695	S	S	*	*			trans	-158.8	-179.8	-162.7	61.1	0	0	0	0	110.8
823	P	38.8	Very low	32.6	Very low	113 Å²	113	122.7 Å²	122.7	73%	0.734	69%	0.691	S	S	*	*			cis	-139	170.6	-42.6	34.2	-16.7	0	0	0	115.8
824	A	33.9	Very low	32.8	Very low	83 Å²	83	120.5 Å²	120.5	69%	0.686	69%	0.692	S	S	*	*			trans	64.5	168.4	154	0	0	0	0	0	117.9	T680	T680-A824 VanDerWaalsContact CG2-O 3.23Å; T680-A824 WeakPolarHBondContact CG2-O 3.17Å
825	T	29.4	Very low	32.9	Very low	70 Å²	70	120.3 Å²	120.3	43%	0.429	69%	0.691	S	S	.	*			cis	-147.3	175.7	5	82.8	0	0	0	0	107.2	T680 P681	T680-T825 VanDerWaalsContact CB-OG1 3.23Å; T680-T825 WeakPolarHBondContact CB-OG1 3.33Å; T680-T825 HydrophobicContact CG2-CG2 4.2Å; T680-T825 PolarHBondContact OG1-OG1 3.38Å; T680-T825 VanDerWaalsContact OG1-OG1 3.04Å; P681-T825 WeakPolarHBondContact CA-O 3.28Å
826	L	28.9	Very low	32.9	Very low	122 Å²	122	119.5 Å²	119.5	64%	0.639	69%	0.688	S	S	*	*			cis	-173.3	153.2	-20	-113.1	173.7	0	0	0	109.7	L682	L682-L826 VanDerWaalsContact CA-O 3.23Å; L682-L826 WeakPolarHBondContact CA-O 3.3Å; L682-L826 PolarHBondContact N-O 2.82Å
827	S	29.7	Very low	33.2	Very low	76 Å²	76	116.7 Å²	116.7	53%	0.531	68%	0.682	S	S	.	*			trans	53.8	165.1	156.5	56.2	0	0	0	0	122	L682 I683	L682-S827 CarbonylContact C-O 3.55Å; L682-S827 WeakPolarHBondContact CA-O 3.41Å; I683-S827 PolarHBondContact N-O 3.47Å
828	P	39.4	Very low	33.5	Very low	78 Å²	78	117.6 Å²	117.6	51%	0.506	69%	0.685	S	S	.	*			trans	-139.2	152.6	-158.3	43.4	-25	0	0	0	121.8	F684	F684-P828 HydrophobicContact CD1-CB 4.37Å; F684-P828 HydrophobicContact CD2-CB 3.66Å; F684-P828 HydrophobicContact CE1-CB 4.44Å; F684-P828 HydrophobicContact CE2-CB 3.72Å; F684-P828 HydrophobicContact CE2-CG 4.12Å; F684-P828 HydrophobicContact CG-CB 3.98Å; F684-P828 HydrophobicContact CZ-CB 4.13Å; F684-P828 HydrophobicContact CZ-CG 4.18Å
829	A	36.1	Very low	33.7	Very low	43 Å²	43	118 Å²	118	36%	0.355	69%	0.686	S	S	.	*			trans	-165.7	142.6	170.6	0	0	0	0	0	114.9	I683 F684	I683-A829 HydrophobicContact CG1-CB 4.46Å; I683-A829 VanDerWaalsContact CG1-O 3.22Å; I683-A829 WeakPolarHBondContact CG1-O 3.06Å; I683-A829 WeakPolarHBondContact CG2-O 3.39Å; F684-A829 VanDerWaalsContact CD2-N 3.33Å
830	L	32.6	Very low	33.6	Very low	126 Å²	126	115 Å²	115	66%	0.66	67%	0.673	S	S	*	*			trans	96.3	98.2	162	-53.5	174.6	0	0	0	123.5
831	F	29.4	Very low	33.8	Very low	180 Å²	180	118.6 Å²	118.6	79%	0.789	68%	0.68	S	S	*	*				42.2	115.7	122.9	-71.8	-85.9	0	0	0	125.9
832	T	30.7	Very low	33.9	Very low	122 Å²	122	113 Å²	113	75%	0.748	67%	0.673	S	S	*	*			trans	79.6	144	134.2	47.4	0	0	0	0	124.2
833	P	41	Very low	34.4	Very low	95 Å²	95	113.5 Å²	113.5	62%	0.617	67%	0.674	S	S	*	*			trans	-119.2	172.8	-175.6	44.3	-33.9	0	0	0	115.7
834	T	35.3	Very low	34.3	Very low	132 Å²	132	112.6 Å²	112.6	81%	0.81	68%	0.676	S	S	*	*			trans	-169.8	152.2	150	15.2	0	0	0	0	117.2
835	I	30.1	Very low	34.4	Very low	145 Å²	145	116.9 Å²	116.9	74%	0.744	69%	0.685	S	S	*	*			trans	68.5	86.3	146.7	-59.9	157.7	0	0	0	121
836	L	31.9	Very low	34.6	Very low	138 Å²	138	119.4 Å²	119.4	72%	0.723	70%	0.701	S	S	*	*				26.5	151.1	104.5	-150.7	75.9	0	0	0	122.4	I692	I692-L836 HydrophobicContact CD1-CD1 4.2Å
837	S	34.3	Very low	34.7	Very low	102 Å²	102	118.9 Å²	118.9	71%	0.713	71%	0.707	S	S	*	*			trans	133	153	131.7	76.7	0	0	0	0	116.4
838	P	41.6	Very low	35.5	Very low	119 Å²	119	121.3 Å²	121.3	77%	0.773	72%	0.721	S	S	*	*			trans	-138.1	-124.3	-135.8	41.5	-19.4	0	0	0	115.7
839	V	38.4	Very low	35.5	Very low	124 Å²	124	126 Å²	126	75%	0.752	74%	0.74	S	S	*	*			trans	87.6	139.7	163.8	172.7	0	0	0	0	117.8
840	V	32.5	Very low	35.3	Very low	103 Å²	103	128.4 Å²	128.4	62%	0.624	76%	0.76	S	S	*	*			cis	-172.5	157.7	-26.5	143.8	0	0	0	0	108
841	F	33.3	Very low	35.5	Very low	197 Å²	197	130.7 Å²	130.7	86%	0.864	77%	0.771	S	S	*	*			trans	161.5	165.3	134.1	-88.1	-65.1	0	0	0	114.7
842	S	32.8	Very low	35.9	Very low	102 Å²	102	126.9 Å²	126.9	71%	0.713	77%	0.767	S	S	*	*			trans	-161.3	-156.2	-158.6	64.4	0	0	0	0	111
843	P	43.4	Very low	36.5	Very low	114 Å²	114	127.2 Å²	127.2	74%	0.74	77%	0.771	S	S	*	*			cis	-138.4	-171.7	-28.9	35.1	-14	0	0	0	115.9
844	A	36.4	Very low	36.4	Very low	94 Å²	94	128.3 Å²	128.3	78%	0.777	78%	0.775	S	S	*	*			trans	107.6	150.8	133.1	0	0	0	0	0	125.4
845	I	34.7	Very low	36.5	Very low	172 Å²	172	130.6 Å²	130.6	88%	0.882	77%	0.774	S	S	*	*			trans	97.9	162	163.1	-79.9	171.2	0	0	0	120.3
846	V	33.5	Very low	36.7	Very low	124 Å²	124	130.6 Å²	130.6	75%	0.752	78%	0.775	S	S	*	*			trans	-163.5	167.2	-138.7	64.6	0	0	0	0	116.4
847	S	32.8	Very low	36.9	Very low	110 Å²	110	129 Å²	129	77%	0.769	78%	0.776	S	S	*	*			trans	114.6	154.7	148.1	76	0	0	0	0	122.4
848	P	44.7	Very low	37.6	Very low	128 Å²	128	129.8 Å²	129.8	83%	0.831	78%	0.778	S	S	*	*			trans	-139.5	-173.5	-151.7	46.1	-28.2	0	0	0	120
849	I	39.2	Very low	37.6	Very low	177 Å²	177	132.1 Å²	132.1	91%	0.908	78%	0.783	S	S	*	*			trans	-167.1	159.6	162.7	-146.8	169.6	0	0	0	116.1
850	A	31.9	Very low	37.5	Very low	93 Å²	93	135.6 Å²	135.6	77%	0.769	79%	0.789	S	S	*	*			trans	-169.2	154.1	171.5	0	0	0	0	0	117.7
851	I	37.1	Very low	37.7	Very low	173 Å²	173	138.1 Å²	138.1	89%	0.887	80%	0.797	S	S	*	*			trans	-178.2	165.6	176.2	-120.1	155.5	0	0	0	112.3
852	S	38.4	Very low	37.9	Very low	101 Å²	101	134 Å²	134	71%	0.706	79%	0.793	S	S	*	*			cis	-168	165.7	-33.1	56	0	0	0	0	113.6
853	P	44	Very low	38.9	Very low	129 Å²	129	135 Å²	135	84%	0.838	80%	0.797	S	S	*	*			trans	-134.1	178.1	-167.4	44	-29.1	0	0	0	119.8
854	V	37.4	Very low	38.8	Very low	117 Å²	117	140 Å²	140	71%	0.709	80%	0.802	S	S	*	*			trans	-167.7	141.5	167.1	104.2	0	0	0	0	120.4
855	F	37.5	Very low	39.1	Very low	180 Å²	180	142 Å²	142	79%	0.789	80%	0.799	S	S	*	*			trans	61.5	169.4	157.5	-61.6	-31.2	0	0	0	124.3
856	L	35.3	Very low	39.5	Very low	146 Å²	146	141.5 Å²	141.5	76%	0.764	80%	0.797	S	S	*	*			cis	-173	-179.2	-23.6	-93.4	170.6	0	0	0	110
857	S	36.8	Very low	39.8	Very low	105 Å²	105	141.5 Å²	141.5	73%	0.734	80%	0.798	S	S	*	*			cis	-170.8	169	-8.1	43.8	0	0	0	0	114.2
858	P	47.1	Very low	40.4	Very low	118 Å²	118	142.2 Å²	142.2	77%	0.766	80%	0.799	S	S	*	*			trans	-142.3	179.6	-163.2	45	-28.1	0	0	0	122.5
859	L	42.5	Very low	40.4	Very low	167 Å²	167	142.6 Å²	142.6	87%	0.874	80%	0.799	S	S	*	*			trans	-178.3	141.6	150.1	-124.2	75.4	0	0	0	119
860	F	36.5	Very low	40.4	Very low	197 Å²	197	142 Å²	142	86%	0.864	80%	0.797	S	S	*	*			trans	108.1	165.4	157.2	-111.1	-103.7	0	0	0	127.4
861	I	35.7	Very low	41	Very low	156 Å²	156	144.7 Å²	144.7	80%	0.8	80%	0.797	S	S	*	*			trans	-153.9	0	-153.6	-84	160.7	0	0	0	113.9
862	S	38.5	Very low	41.2	Very low	110 Å²	110	143.2 Å²	143.2	77%	0.769	80%	0.796	S	S	*	*				0	0	0	39.3	0	0	0	0	118
863	P	53.4	Low	41.7	Very low	123 Å²	123	143.7 Å²	143.7	80%	0.799	80%	0.797	S	S	*	*				0	-175.6	0	44	-27	0	0	0	122
864	Y	42.2	Very low	41.5	Very low	219 Å²	219	145.1 Å²	145.1	86%	0.859	80%	0.796	S	S	*	*			trans	-170.3	173.8	-174	-119.6	-146.6	0	0	0	114.1
865	I	41.3	Very low	41.3	Very low	138 Å²	138	146.3 Å²	146.3	71%	0.708	80%	0.797	S	S	*	*			cis	-173.6	-173.4	-28.3	49.7	165.4	0	0	0	110.2
866	L	43.8	Very low	41.4	Very low	161 Å²	161	145 Å²	145	84%	0.843	80%	0.797	S	S	*	*				-160.2	179.6	-56	-157	66.8	0	0	0	109.3
867	T	39.5	Very low	41.6	Very low	124 Å²	124	142.2 Å²	142.2	76%	0.761	80%	0.795	S	S	*	*			cis	-160	176.5	16.7	53.9	0	0	0	0	115.8
868	P	45.8	Very low	41.9	Very low	124 Å²	124	142.9 Å²	142.9	81%	0.805	80%	0.797	S	S	*	*			trans	-142.7	173.9	-178.2	43.3	-25.5	0	0	0	122.6
869	T	43.7	Very low	41.7	Very low	136 Å²	136	146.2 Å²	146.2	83%	0.834	81%	0.805	S	S	*	*			trans	-161.2	-178.6	177.7	62.9	0	0	0	0	114.8
870	I	40.2	Very low	41.2	Very low	166 Å²	166	144.1 Å²	144.1	85%	0.851	80%	0.799	S	S	*	*			cis	-167.9	167.5	-16	-107.2	169.5	0	0	0	113.1
871	L	43.7	Very low	41.4	Very low	149 Å²	149	142.9 Å²	142.9	78%	0.78	80%	0.8	S	S	*	*			trans	-164.3	152	-175.5	178.9	63.5	0	0	0	121.2
872	T	42.2	Very low	41.7	Very low	141 Å²	141	141.6 Å²	141.6	87%	0.865	80%	0.8	S	S	*	*			trans	-152.1	133.4	156.7	39	0	0	0	0	117.6
873	P	47.8	Very low	41.7	Very low	111 Å²	111	141.4 Å²	141.4	72%	0.721	80%	0.796	S	S	*	*			trans	-150.1	-173.4	-174.1	46.1	-27.6	0	0	0	121.1
874	I	39.8	Very low	40.6	Very low	160 Å²	160	142.4 Å²	142.4	82%	0.821	79%	0.794	S	S	*	*			trans	-174.9	166.2	175.3	-112.2	170.2	0	0	0	109.9
875	I	34.9	Very low	40	Very low	142 Å²	142	138 Å²	138	73%	0.728	78%	0.784	S	S	*	*			cis	-173	170.5	-27.8	-148.2	170.7	0	0	0	107.9
876	L	38.6	Very low	39.5	Very low	151 Å²	151	138.4 Å²	138.4	79%	0.791	79%	0.787	S	S	*	*			cis	-129.8	-111.7	-0.8	-167.2	71.7	0	0	0	112.3
877	A	39.5	Very low	38.9	Very low	88 Å²	88	136.3 Å²	136.3	73%	0.727	78%	0.78	S	S	*	*			cis	-160.3	169	-0.7	0	0	0	0	0	111.5
878	P	42.4	Very low	38.7	Very low	119 Å²	119	135.7 Å²	135.7	77%	0.773	78%	0.778	S	S	*	*			trans	-123.3	150.9	-160.1	41.4	-30.1	0	0	0	121.3
879	M	44.4	Very low	38	Very low	189 Å²	189	139.4 Å²	139.4	93%	0.931	78%	0.782	S	S	*	*			trans	-151.6	155.2	153	-120	-65	-178.7	0	0	110.3
880	V	31.6	Very low	37.4	Very low	123 Å²	123	138.5 Å²	138.5	75%	0.745	78%	0.776	S	S	*	*			trans	-103.9	122.3	-160.2	178.4	0	0	0	0	114.1
881	L	40.4	Very low	36.9	Very low	171 Å²	171	137.2 Å²	137.2	90%	0.895	77%	0.77	S	S	*	*			trans	-163.6	102.4	140.3	-141.8	72.5	0	0	0	111.9
882	T	41.9	Very low	36.2	Very low	128 Å²	128	135.7 Å²	135.7	79%	0.785	77%	0.767	S	S	*	*			trans	-129	162.5	171.6	69.9	0	0	0	0	108.6
883	P	38.5	Very low	35.7	Very low	107 Å²	107	134.2 Å²	134.2	70%	0.695	76%	0.76	S	S	*	*				-147.1	175.6	79.7	36.4	-16.7	0	0	0	114.5
884	L	29.8	Very low	34.8	Very low	144 Å²	144	136.5 Å²	136.5	75%	0.754	77%	0.765	S	S	*	*				154.2	97	98.6	-152.9	67.4	0	0	0	113.8
885	I	31	Very low	34.3	Very low	126 Å²	126	135.5 Å²	135.5	65%	0.646	76%	0.76	S	S	*	*			trans	97.5	109.9	132.2	-74.9	-174.4	0	0	0	122.3
886	L	30.1	Very low	34.2	Very low	147 Å²	147	135.7 Å²	135.7	77%	0.77	76%	0.762	S	S	*	*			trans	68.8	149.9	136.2	-84.2	57.4	0	0	0	121.3
887	V	31.6	Very low	33.6	Very low	117 Å²	117	134.4 Å²	134.4	71%	0.709	75%	0.752	S	S	*	*			cis	-168.9	152	-30.5	117.8	0	0	0	0	108.8
888	P	34.8	Very low	33.3	Very low	111 Å²	111	136.1 Å²	136.1	72%	0.721	76%	0.756	S	S	*	*			trans	-92.4	154.9	-177.9	36.7	-34.9	0	0	0	114.3
889	K	30.5	Very low	32.8	Very low	201 Å²	201	132.1 Å²	132.1	87%	0.874	74%	0.736	S	S	*	*			trans	-177.3	153.8	158.3	-101.3	166.9	177.8	-177.8	0	108.9
890	V	30.6	Very low	32.1	Very low	118 Å²	118	129.9 Å²	129.9	72%	0.715	73%	0.726	S	S	*	*			cis	-170.5	153.7	-31	98.2	0	0	0	0	109.1
891	L	30.3	Very low	32.1	Very low	139 Å²	139	131.1 Å²	131.1	73%	0.728	73%	0.728	S	S	*	*			trans	58.9	116.4	163.1	-100.2	62.6	0	0	0	120.6
892	T	28.6	Very low	31.5	Very low	117 Å²	117	127 Å²	127	72%	0.718	71%	0.713	S	S	*	*				51.1	162.2	120.2	60.8	0	0	0	0	122.6
893	P	32.5	Very low	31.1	Very low	109 Å²	109	126.3 Å²	126.3	71%	0.708	71%	0.711	S	S	*	*			cis	-126.3	155.9	-25.1	35.2	-16.6	0	0	0	111.9
894	L	29.8	Very low	30.8	Very low	159 Å²	159	127 Å²	127	83%	0.832	71%	0.709	S	S	*	*				67	152.6	103.4	-159.7	79.1	0	0	0	116.8
895	I	29	Very low	30.8	Very low	139 Å²	139	127.2 Å²	127.2	71%	0.713	71%	0.709	S	S	*	*			trans	98.8	122.3	160.9	-53	-176.1	0	0	0	117
896	L	31.5	Very low	30.7	Very low	146 Å²	146	127.8 Å²	127.8	76%	0.764	71%	0.713	S	S	*	*			trans	66.5	59.9	159.5	-71.5	166.5	0	0	0	120.5
897	Q	26.7	Very low	30.4	Very low	125 Å²	125	124.2 Å²	124.2	58%	0.584	70%	0.699	S	S	*	*	S	Bend		-69.9	131.4	113.4	-174.1	-171.6	16	0	0	107.7	G899 I900	Q897-G899 VanDerWaalsContact CD-C 3.45Å; Q897-G899 WeakPolarHBondContact CG-O 3.49Å; Q897-G899 PolarHBondContact NE2-O 3.41Å; Q897-G899 PolarHBondContact O-N 3.03Å; Q897-I900 PolarHBondContact NE2-O 3.39Å; Q897-I900 VanDerWaalsContact NE2-O 3.09Å
898	P	32.6	Very low	30.2	Very low	124 Å²	124	123.3 Å²	123.3	81%	0.805	70%	0.696	S	S	*	*	S	Bend	trans	-71.3	71.7	164.3	30.9	-33.7	0	0	0	109.7
899	G	32	Very low	30	Very low	35 Å²	35	125.8 Å²	125.8	36%	0.361	69%	0.691	S	S	.	*	S	Bend	trans	90.9	125.4	174.3	0	0	0	0	0	116.1	Q897	Q897-G899 VanDerWaalsContact CD-C 3.45Å; Q897-G899 WeakPolarHBondContact CG-O 3.49Å; Q897-G899 PolarHBondContact NE2-O 3.41Å; Q897-G899 PolarHBondContact O-N 3.03Å
900	I	30.2	Very low	29.8	Very low	141 Å²	141	120.5 Å²	120.5	72%	0.723	68%	0.676	S	S	*	*			trans	82.9	85.8	134.3	-60.7	150.8	0	0	0	116.4	Q897	Q897-I900 PolarHBondContact NE2-O 3.39Å; Q897-I900 VanDerWaalsContact NE2-O 3.09Å
901	L	32.3	Very low	29.7	Very low	149 Å²	149	122.3 Å²	122.3	78%	0.78	68%	0.681	S	S	*	*				76.9	112.1	119.3	-73.5	152.3	0	0	0	120.3
902	S	27.5	Very low	29.7	Very low	85 Å²	85	120.5 Å²	120.5	59%	0.594	68%	0.68	S	S	*	*			trans	-74.4	-173.5	167.9	71.7	0	0	0	0	111.7	D904	S902-D904 PolarHBondContact OG-OD2 2.8Å
903	P	34.3	Very low	29.7	Very low	113 Å²	113	120 Å²	120	73%	0.734	68%	0.678	S	S	*	*			cis	-127.6	133.9	24.7	36	-16.3	0	0	0	116.4
904	D	31.7	Very low	29.5	Very low	121 Å²	121	119.8 Å²	119.8	65%	0.647	68%	0.679	S	S	*	*				89.7	141.9	75.7	-63.2	-47.1	0	0	0	112.6	S902	S902-D904 PolarHBondContact OG-OD2 2.8Å
905	I	29.3	Very low	29.5	Very low	150 Å²	150	119 Å²	119	77%	0.769	67%	0.674	S	S	*	*			cis	-130.2	103.1	13.9	-59.3	169.1	0	0	0	112.2
906	L	29.2	Very low	29.6	Very low	137 Å²	137	120.7 Å²	120.7	72%	0.717	68%	0.684	S	S	*	*			trans	49.6	90	138.7	-63.1	166.7	0	0	0	121.7
907	C	23	Very low	29.3	Very low	72 Å²	72	118.4 Å²	118.4	49%	0.486	68%	0.68	S	S	.	*			trans	-101	104.7	137.5	-93.9	0	0	0	0	111.3	M951 C952	C907-M951 HydrophobicContact CB-CE 4.24Å; C907-M951 HydrophobicContact CB-CG 4.12Å; C907-M951 WeakPolarHBondContact O-CE 3.45Å; C907-C952 PolarHBondContact SG-O 2.69Å
908	P	28.6	Very low	29.3	Very low	99 Å²	99	116.8 Å²	116.8	64%	0.643	68%	0.683	S	S	*	*			trans	-103.4	118.1	163.7	33.4	-24.1	0	0	0	109.8
909	R	30.3	Very low	29.2	Very low	162 Å²	162	119.2 Å²	119.2	61%	0.611	68%	0.683	S	S	*	*				43.2	89.5	68.3	-82.7	-170.8	174.5	157.2	2.1	112.2	M951	R909-M951 HydrophobicContact CG-CE 3.91Å
910	T	26.6	Very low	29.1	Very low	91 Å²	91	121.7 Å²	121.7	56%	0.558	70%	0.7	S	S	*	*				82.5	142	84.5	54	0	0	0	0	113.8
911	L	28.8	Very low	28.9	Very low	156 Å²	156	123.1 Å²	123.1	82%	0.817	71%	0.708	S	S	*	*			trans	65.4	97.1	164.8	-64.2	160	0	0	0	115.9
912	S	28.6	Very low	28.6	Very low	101 Å²	101	125.3 Å²	125.3	71%	0.706	71%	0.712	S	S	*	*				102.6	168.7	83.6	76	0	0	0	0	111
913	P	30.2	Very low	28.4	Very low	105 Å²	105	125.5 Å²	125.5	68%	0.682	72%	0.719	S	S	*	*			cis	-129.2	-169.5	1.1	43.5	-28.3	0	0	0	113.6
914	S	26.6	Very low	28	Very low	105 Å²	105	123.2 Å²	123.2	73%	0.734	71%	0.71	S	S	*	*			trans	48.4	125.1	151.5	-53.2	0	0	0	0	118.4
915	I	30	Very low	27.8	Very low	143 Å²	143	124.6 Å²	124.6	73%	0.733	72%	0.715	S	S	*	*			cis	-148.3	127.3	40.5	-67.5	161.6	0	0	0	105.8
916	L	31	Very low	27.6	Very low	174 Å²	174	124.7 Å²	124.7	91%	0.911	72%	0.717	S	S	*	*				57.6	35.1	55.1	-155.2	68	0	0	0	115.6
917	S	26.9	Very low	27.5	Very low	99 Å²	99	121.2 Å²	121.2	69%	0.692	70%	0.704	S	S	*	*			trans	175.1	120.1	142.6	36	0	0	0	0	110.4
918	S	25.4	Very low	27.8	Very low	90 Å²	90	124.3 Å²	124.3	63%	0.629	72%	0.723	S	S	*	*	S	Bend	cis	-151.4	161.4	-10.6	49.5	0	0	0	0	110.9
919	H	31.2	Very low	28.2	Very low	175 Å²	175	129.3 Å²	129.3	81%	0.81	73%	0.729	S	S	*	*			trans	94	113.5	170.2	-45.2	-57.9	0	0	0	119.2
920	A	30.2	Very low	28.8	Very low	88 Å²	88	127.9 Å²	127.9	73%	0.727	73%	0.725	S	S	*	*			trans	67.4	91.4	131.4	0	0	0	0	0	121.7
921	L	26.3	Very low	29.1	Very low	170 Å²	170	128.3 Å²	128.3	89%	0.89	72%	0.721	S	S	*	*				73.7	134.8	126.1	-64.8	172.5	0	0	0	122.3
922	F	25.2	Very low	29.6	Very low	195 Å²	195	122.2 Å²	122.2	86%	0.855	69%	0.692	S	S	*	*			trans	89.8	120	150.3	-144.3	-104.8	0	0	0	118.7	A924	F922-A924 HydrophobicContact CD1-CB 4.48Å; F922-A924 HydrophobicContact CE1-CB 3.89Å
923	A	22.6	Very low	30.1	Very low	90 Å²	90	120.7 Å²	120.7	74%	0.744	68%	0.68	S	S	*	*			trans	-120.5	145.9	165.8	0	0	0	0	0	108.6
924	A	26.4	Very low	30.9	Very low	65 Å²	65	119.1 Å²	119.1	54%	0.537	66%	0.661	S	S	.	*			trans	-145.2	130.5	171.6	0	0	0	0	0	110.1	F922 L926	F922-A924 HydrophobicContact CD1-CB 4.48Å; F922-A924 HydrophobicContact CE1-CB 3.89Å; A924-L926 PolarHBondContact O-N 2.78Å
925	I	26.6	Very low	31.6	Very low	149 Å²	149	119 Å²	119	76%	0.764	65%	0.651	S	S	*	*			trans	-90.7	108.3	-169.7	-61.9	167.1	0	0	0	109.3	S927 Y930	I925-S927 PolarHBondContact O-N 2.78Å; I925-Y930 PolarHBondContact O-OH 2.85Å; I925-Y930 VanDerWaalsContact O-OH 3.07Å
926	L	26.6	Very low	32.1	Very low	153 Å²	153	117.7 Å²	117.7	80%	0.801	64%	0.637	S	S	*	*			trans	-67.8	95.7	-179.6	-79	163	0	0	0	111.8	A924 Y930	A924-L926 PolarHBondContact O-N 2.78Å; L926-Y930 HydrophobicContact CD2-CD1 4.29Å
927	S	26.1	Very low	32.5	Very low	64 Å²	64	109.5 Å²	109.5	45%	0.448	59%	0.593	S	S	.	*			trans	-87.9	143.9	170.6	82.2	0	0	0	0	111.5	I925 R929 Y930	I925-S927 PolarHBondContact O-N 2.78Å; S927-R929 PolarHBondContact O-N 3.07Å; S927-Y930 WeakPolarHBondContact O-CD2 3.12Å; S927-Y930 PolarHBondContact O-N 2.88Å; S927-Y930 VanDerWaalsContact O-N 3.15Å; S927-Y930 WeakPolarHBondContact OG-CD2 3.23Å; S927-Y930 WeakPolarHBondContact OG-CE2 3.39Å
928	P	30.2	Very low	33.3	Very low	137 Å²	137	108.9 Å²	108.9	89%	0.89	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	13.9	-166.4	-20.9	35.2	0	0	0	117.2
929	R	36.7	Very low	34	Very low	204 Å²	204	105.2 Å²	105.2	77%	0.77	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	9.8	171.6	-73.9	-176.5	170.1	159.9	-1.4	114	S927 M931	S927-R929 PolarHBondContact O-N 3.07Å; R929-M931 PolarHBondContact O-N 3.07Å
930	Y	42.9	Very low	34.3	Very low	132 Å²	132	100.8 Å²	100.8	52%	0.518	55%	0.545	S	S	.	.			trans	-58.1	96.7	152.9	-80.9	-129.5	0	0	0	110.3	I925 L926 S927	I925-Y930 PolarHBondContact O-OH 2.85Å; I925-Y930 VanDerWaalsContact O-OH 3.07Å; L926-Y930 HydrophobicContact CD2-CD1 4.29Å; S927-Y930 WeakPolarHBondContact O-CD2 3.12Å; S927-Y930 PolarHBondContact O-N 2.88Å; S927-Y930 VanDerWaalsContact O-N 3.15Å; S927-Y930 WeakPolarHBondContact OG-CD2 3.23Å; S927-Y930 WeakPolarHBondContact OG-CE2 3.39Å
931	M	33.2	Very low	34.6	Very low	99 Å²	99	98.7 Å²	98.7	49%	0.488	53%	0.528	S	S	.	.			trans	-146.8	12.1	153.2	-73.7	-145.7	81.2	0	0	114.1	Y532 R929 P933	Y532-M931 WeakPolarHBondContact CA-O 3.26Å; Y532-M931 HydrophobicContact CD1-CB 4.24Å; Y532-M931 HydrophobicContact CD1-CE 4.11Å; Y532-M931 HydrophobicContact CD1-SD 4.03Å; Y532-M931 HydrophobicContact CD2-CB 4.5Å; Y532-M931 HydrophobicContact CE1-CB 4.41Å; Y532-M931 HydrophobicContact CE1-CE 3.53Å; Y532-M931 HydrophobicContact CE1-CG 4.43Å; Y532-M931 HydrophobicContact CE1-SD 3.25Å; Y532-M931 WeakPolarHBondContact CE1-SD 3.44Å; Y532-M931 HydrophobicContact CE2-SD 4.06Å; Y532-M931 HydrophobicContact CG-CB 4.31Å; Y532-M931 PolarHBondContact N-O 3.31Å; Y532-M931 PolarHBondContact OH-SD 3.19Å; Y532-M931 VanDerWaalsContact OH-SD 3.32Å; R929-M931 PolarHBondContact O-N 3.07Å; M931-P933 WeakPolarHBondContact O-CD 3.34Å
932	S	38.3	Very low	35.1	Very low	28 Å²	28	92.5 Å²	92.5	20%	0.196	50%	0.499	C	S	.	.			trans	-123.3	61.1	176.5	56.5	0	0	0	0	112.5	S533	S533-S932 WeakPolarHBondContact OG-CB 3.34Å
933	P	39.6	Very low	35.4	Very low	70 Å²	70	85.4 Å²	85.4	46%	0.455	48%	0.476	S	S	.	.			trans	-62.6	139	175.5	27.2	-35	0	0	0	111.4	P534 S535 M931 I935	P534-P933 VanDerWaalsContact CA-O 3.27Å; P534-P933 WeakPolarHBondContact CA-O 3.37Å; P534-P933 HydrophobicContact CB-CG 4.48Å; P534-P933 WeakPolarHBondContact CB-O 3.43Å; S535-P933 PolarHBondContact N-O 2.9Å; M931-P933 WeakPolarHBondContact O-CD 3.34Å; P933-I935 VanDerWaalsContact C-N 3.26Å; P933-I935 HydrophobicContact CB-CD1 4.33Å; P933-I935 HydrophobicContact CB-CG1 3.81Å; P933-I935 HydrophobicContact CG-CD1 3.7Å; P933-I935 HydrophobicContact CG-CG1 3.72Å; P933-I935 PolarHBondContact O-N 3.41Å
934	Y	47.6	Very low	36.1	Very low	72 Å²	72	86.8 Å²	86.8	28%	0.282	47%	0.465	S	S	.	.			trans	-71.6	80.7	166.9	-84	-106.3	0	0	0	108.9	S535 F611 R936 S937 F944	S535-Y934 CarbonylContact O-C 3.3Å; S535-Y934 VanDerWaalsContact O-C 3.3Å; S535-Y934 WeakPolarHBondContact O-CA 3.47Å; S535-Y934 WeakPolarHBondContact OG-CD1 3.41Å; S535-Y934 WeakPolarHBondContact OG-CD2 3.39Å; S535-Y934 WeakPolarHBondContact OG-CE1 3.48Å; S535-Y934 WeakPolarHBondContact OG-CE2 3.42Å; S535-Y934 VanDerWaalsContact OG-CG 3.22Å; S535-Y934 VanDerWaalsContact OG-CZ 3.28Å; F611-Y934 VanDerWaalsContact CD2-O 3.26Å; F611-Y934 WeakPolarHBondContact CD2-O 3.33Å; Y934-R936 PolarHBondContact O-N 3.07Å; Y934-S937 WeakPolarHBondContact CD1-OG 3.49Å; Y934-F944 HydrophobicContact CE2-CE1 4.36Å; Y934-F944 HydrophobicContact CE2-CZ 4.03Å
935	I	40.1	Very low	36.4	Very low	102 Å²	102	86.9 Å²	86.9	52%	0.523	46%	0.456	S	S	.	.			trans	-89.8	92.4	177.9	-52.1	174.3	0	0	0	109.4	S535 I536 P933	S535-I935 CarbonylContact O-C 3.35Å; S535-I935 PolarHBondContact O-N 3.22Å; I536-I935 WeakPolarHBondContact CA-O 3.43Å; I536-I935 WeakPolarHBondContact CB-O 3.35Å; I536-I935 WeakPolarHBondContact CG1-O 3.48Å; I536-I935 WeakPolarHBondContact CG2-O 3.04Å; P933-I935 VanDerWaalsContact C-N 3.26Å; P933-I935 HydrophobicContact CB-CD1 4.33Å; P933-I935 HydrophobicContact CB-CG1 3.81Å; P933-I935 HydrophobicContact CG-CD1 3.7Å; P933-I935 HydrophobicContact CG-CG1 3.72Å; P933-I935 PolarHBondContact O-N 3.41Å
936	R	41.2	Very low	36.6	Very low	116 Å²	116	81.3 Å²	81.3	44%	0.438	44%	0.436	S	S	.	.	S	Bend	trans	112.9	27.5	168.8	-163.7	153.3	-80	-170	-5.2	117.6	I536 N537 G610 F611 Y934	I536-R936 HydrophobicContact CG2-CB 4.24Å; N537-R936 WeakPolarHBondContact CA-O 3.27Å; N537-R936 HydrophobicContact CB-CG 4.37Å; N537-R936 PolarHBondContact N-O 3.03Å; G610-R936 CarbonylContact C-O 3.35Å; G610-R936 WeakPolarHBondContact CA-O 3.05Å; G610-R936 PolarHBondContact N-O 3.26Å; G610-R936 VanDerWaalsContact N-O 3.14Å; G610-R936 CarbonylContact O-C 3.54Å; F611-R936 VanDerWaalsContact N-C 3.34Å; F611-R936 VanDerWaalsContact N-CA 3.32Å; F611-R936 PolarHBondContact N-O 3.45Å; F611-R936 PolarHBondContact O-NE 3.01Å; F611-R936 PolarHBondContact O-NH2 3Å; Y934-R936 PolarHBondContact O-N 3.07Å
937	S	39.7	Very low	36.7	Very low	1 Å²	1	75.4 Å²	75.4	1%	0.007	41%	0.408	C	S	.	.			trans	-114.4	123.2	-171.3	51.6	0	0	0	0	117.4	S538 G610 F611 Y934 C939	S538-S937 WeakPolarHBondContact O-CB 3.16Å; G610-S937 CarbonylContact O-C 3.51Å; G610-S937 PolarHBondContact O-N 2.81Å; F611-S937 WeakPolarHBondContact CD1-O 3.29Å; F611-S937 WeakPolarHBondContact CD2-OG 3.34Å; F611-S937 WeakPolarHBondContact CE1-O 3.46Å; F611-S937 WeakPolarHBondContact CE2-O 3.3Å; F611-S937 WeakPolarHBondContact CE2-OG 3.37Å; F611-S937 WeakPolarHBondContact CZ-O 3.4Å; Y934-S937 WeakPolarHBondContact CD1-OG 3.49Å; S937-C939 PolarHBondContact O-N 2.69Å
938	N	44.1	Very low	37.3	Very low	87 Å²	87	73.9 Å²	73.9	47%	0.465	40%	0.396	S	S	.	.			trans	-76.3	75.1	174.6	-77.2	-11.5	0	0	0	112.6	S539 L609 G610 S940	S539-N938 WeakPolarHBondContact CB-O 3.32Å; L609-N938 VanDerWaalsContact C-CG 3.47Å; L609-N938 WeakPolarHBondContact O-CB 3.43Å; L609-N938 PolarHBondContact O-N 2.76Å; G610-N938 PolarHBondContact N-OD1 3.36Å; G610-N938 VanDerWaalsContact N-OD1 3.13Å; G610-N938 PolarHBondContact O-N 2.8Å; G610-N938 PolarHBondContact O-OD1 3.21Å; N938-S940 PolarHBondContact O-N 2.99Å
939	C	38.8	Very low	37.2	Very low	12 Å²	12	69.9 Å²	69.9	8%	0.081	37%	0.371	C	S	.	.			trans	-77.3	119.8	174.3	-173.5	0	0	0	0	112.4	C540 K573 S937 C942	C540-C939 WeakPolarHBondContact O-CA 3.43Å; C540-C939 PolarHBondContact O-SG 3.13Å; K573-C939 PolarHBondContact NZ-O 2.89Å; S937-C939 PolarHBondContact O-N 2.69Å; C939-C942 HydrophobicContact CB-CB 4.34Å; C939-C942 WeakPolarHBondContact CB-SG 3.39Å; C939-C942 WeakPolarHBondContact SG-CB 3.47Å; C939-C942 PolarHBondContact SG-N 2.91Å; C939-C942 VanDerWaalsContact SG-N 3.41Å; C939-C942 CovalentContact SG-SG 2.03Å; C939-C942 PolarHBondContact SG-SG 2.75Å
940	S	39.1	Very low	36.8	Very low	82 Å²	82	64.4 Å²	64.4	57%	0.573	36%	0.356	S	S	*	.	S	Bend	trans	-91.7	-29.3	174	68.7	0	0	0	0	113.4	C540 T541 N938	C540-S940 PolarHBondContact O-N 3.4Å; C540-S940 VanDerWaalsContact O-N 3.16Å; T541-S940 WeakPolarHBondContact CG2-OG 3.47Å; N938-S940 PolarHBondContact O-N 2.99Å
941	A	36.5	Very low	36	Very low	44 Å²	44	62 Å²	62	36%	0.364	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	100.2	176.6	0	0	0	0	0	111.1	G542 C543	G542-A941 PolarHBondContact N-O 2.85Å; C543-A941 PolarHBondContact N-O 3.25Å; C543-A941 VanDerWaalsContact N-O 3.15Å
942	C	36.2	Very low	35.9	Very low	41 Å²	41	64.8 Å²	64.8	28%	0.277	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	101	176.3	-79.9	0	0	0	0	109.5	C939 F944	C939-C942 HydrophobicContact CB-CB 4.34Å; C939-C942 WeakPolarHBondContact CB-SG 3.39Å; C939-C942 WeakPolarHBondContact SG-CB 3.47Å; C939-C942 PolarHBondContact SG-N 2.91Å; C939-C942 VanDerWaalsContact SG-N 3.41Å; C939-C942 CovalentContact SG-SG 2.03Å; C939-C942 PolarHBondContact SG-SG 2.75Å; C942-F944 HydrophobicContact CB-CD2 3.93Å; C942-F944 HydrophobicContact CB-CE2 3.52Å; C942-F944 HydrophobicContact CB-CZ 4.31Å; C942-F944 PolarHBondContact O-N 2.85Å
943	A	31.8	Very low	35.8	Very low	46 Å²	46	66.6 Å²	66.6	38%	0.38	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	89.1	171.8	0	0	0	0	0	109.8	C543 L544 V545 I945	C543-A943 CarbonylContact O-C 3.43Å; C543-A943 WeakPolarHBondContact O-CA 3.47Å; C543-A943 PolarHBondContact O-N 2.83Å; L544-A943 WeakPolarHBondContact CA-O 3.37Å; L544-A943 HydrophobicContact CD2-CB 3.87Å; V545-A943 PolarHBondContact N-O 2.67Å; A943-I945 PolarHBondContact O-N 2.9Å
944	F	36	Very low	35.6	Very low	118 Å²	118	66.4 Å²	66.4	52%	0.518	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	95.8	171.1	-68.4	-81.6	0	0	0	109.9	V545 Y934 C942 G946	V545-F944 HydrophobicContact CB-CD1 3.65Å; V545-F944 HydrophobicContact CB-CE1 4.14Å; V545-F944 HydrophobicContact CG1-CD1 3.92Å; V545-F944 HydrophobicContact CG1-CE1 4.38Å; V545-F944 HydrophobicContact CG2-CD1 3.83Å; V545-F944 HydrophobicContact CG2-CE1 3.79Å; Y934-F944 HydrophobicContact CE2-CE1 4.36Å; Y934-F944 HydrophobicContact CE2-CZ 4.03Å; C942-F944 HydrophobicContact CB-CD2 3.93Å; C942-F944 HydrophobicContact CB-CE2 3.52Å; C942-F944 HydrophobicContact CB-CZ 4.31Å; C942-F944 PolarHBondContact O-N 2.85Å; F944-G946 PolarHBondContact O-N 2.79Å
945	I	32.4	Very low	34.9	Very low	67 Å²	67	66.1 Å²	66.1	34%	0.344	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	64.1	173.4	-50.4	179.8	0	0	0	107.7	L544 V545 Q546 I547 A943	L544-I945 HydrophobicContact CD2-CD1 3.84Å; V545-I945 CarbonylContact O-C 3.6Å; V545-I945 WeakPolarHBondContact O-CA 3.35Å; V545-I945 PolarHBondContact O-N 3.34Å; Q546-I945 WeakPolarHBondContact CA-O 3.17Å; Q546-I945 HydrophobicContact CG-CB 3.99Å; Q546-I945 HydrophobicContact CG-CG2 4.26Å; I547-I945 PolarHBondContact N-O 2.74Å; A943-I945 PolarHBondContact O-N 2.9Å
946	G	32	Very low	34.6	Very low	33 Å²	33	64 Å²	64	34%	0.34	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	81.4	179.8	0	0	0	0	0	111.8	I547 F944	I547-G946 CarbonylContact O-C 3.59Å; I547-G946 VanDerWaalsContact O-CA 3.32Å; I547-G946 WeakPolarHBondContact O-CA 3.33Å; F944-G946 PolarHBondContact O-N 2.79Å
947	S	28.9	Very low	34.2	Very low	29 Å²	29	60.8 Å²	60.8	20%	0.203	38%	0.377	C	S	.	.			trans	-172.6	160.1	-168.5	67.3	0	0	0	0	110.1	I547 L548 E549	I547-S947 PolarHBondContact O-N 2.9Å; L548-S947 CarbonylContact C-O 3.57Å; L548-S947 WeakPolarHBondContact CA-O 3.32Å; L548-S947 WeakPolarHBondContact CD2-O 3.31Å; L548-S947 WeakPolarHBondContact CG-O 3.21Å; E549-S947 PolarHBondContact N-O 2.75Å
948	P	37.5	Very low	33.9	Very low	31 Å²	31	64.7 Å²	64.7	20%	0.201	40%	0.402	C	S	.	.			cis	-150.6	107.4	7.3	39.4	-15.2	0	0	0	118.3	Y551 E552	Y551-P948 VanDerWaalsContact N-CA 3.32Å; E552-P948 HydrophobicContact CB-CB 3.67Å; E552-P948 HydrophobicContact CB-CG 4.44Å; E552-P948 HydrophobicContact CG-CB 3.6Å; E552-P948 HydrophobicContact CG-CG 4.09Å
949	C	28	Very low	33.1	Very low	54 Å²	54	63.1 Å²	63.1	37%	0.365	40%	0.397	S	S	.	.			trans	-144.4	94.3	174.6	-47.3	0	0	0	0	113.6	C550	C550-C949 VanDerWaalsContact CA-O 3.25Å; C550-C949 WeakPolarHBondContact CA-O 3.44Å
950	I	28.7	Very low	32.7	Very low	88 Å²	88	67.1 Å²	67.1	45%	0.451	42%	0.422	S	S	.	.				42.4	99.6	93.3	-48.3	-156.1	0	0	0	113.6	E552 N553	E552-I950 HydrophobicContact CB-CD1 3.95Å; E552-I950 HydrophobicContact CB-CG1 3.95Å; N553-I950 HydrophobicContact CB-CB 4.33Å; N553-I950 HydrophobicContact CB-CG1 3.86Å
951	M	26.7	Very low	32.2	Very low	82 Å²	82	65.8 Å²	65.8	40%	0.404	41%	0.409	S	S	.	.			trans	10.9	108.1	154.9	-77.3	167	167.8	0	0	117.9	N553 C907 R909	N553-M951 VanDerWaalsContact ND2-CG 3.34Å; N553-M951 WeakPolarHBondContact ND2-CG 3.27Å; N553-M951 PolarHBondContact ND2-SD 3.08Å; C907-M951 HydrophobicContact CB-CE 4.24Å; C907-M951 HydrophobicContact CB-CG 4.12Å; C907-M951 WeakPolarHBondContact O-CE 3.45Å; R909-M951 HydrophobicContact CG-CE 3.91Å
952	C	31.3	Very low	31.8	Very low	157 Å²	157	67.8 Å²	67.8	100%	1.061	41%	0.413	S	S	*	.				-92.3	0	99.4	-69.4	0	0	0	0	107.6	C907	C907-C952 PolarHBondContact SG-O 2.69Å

Retrieved 952 of 952 residues in 399.4 ms (Link to these results)

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