A0A3Q0KNF7_SCHMA Loading...

PH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNF7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,001 aa.

						>A0A3Q0KNF7_SCHMA|A0A3Q0KNF7
MLKNNIQNKHSEPHLPWLPVPNLLTEGDEFSLCYQETENPSKQMTWNKVFVQIDLWGFFIYWNSIEQKVVTTVDLMYIEDIEMCTDSDDLFESMETSFIRLQVSSEGLFESRATMAYGKLHKGIYDHSSIVFLLVKDNPETLKLWKDNLLRLVFTHYPTRVDLAPLELLWKQWTHLIIVYSNLSTWRKTQQPIHDRKSTISNCCILAAFGLEGNLLPSHRSYLSECSPINTDNVNIDHSSSNANIEETLLDNFTFDVFFDLFIHSWPREDIAELFSAYTKTKGFMNYQELNSFLHTSISYFTNSNVSLENSRNFKAVDKQKTLRHIKYLHLERTQNNQTPIKMKSFQKSHSRKSQNNSSLKRSKSCYTTNQTDLNQSQNLDILNLTSESLSSTTSPLHHNRNRMNDHKSISSLVSTNYKEFSEIVRRYETNQYAVSKCLLTNEGFYRLLLSSTYRELCVSRNPTFDTYDQTTESMSTVAEPSKCSLDESQHPLAHYYIKSAYLTHKTYSEDDIENTVQCNQVSFADTKIPKEPCSVIGYGIKSNKILRTIRQALLFGIRALILDCHYFSRLVGTETIISNELIIVPTNSNKVPTCFTERTSQDSFDLMRSILYKNYPYVLFKSVLQVLNENIFLISDHPFILIINLYGLGQEQQCRLANLLQEYLGQWIIVSPLPNYTSNLNGNNKLEKEINSTYIKPNYSRHLPSPEMLKNKILLSIRLVRTARSLSEDQSQELVTNKLQSHCTQTTLVKNPEIASPLTVFITNPEGERKSASQDIASTNSSSQLSPPAKHRLDLNKITDKSATPEDHNSNGWLPKCCGMYTNKIIDRNTAFSSQDEVSYLHPRLARLVVLPTPGFPPDTCIALHYQYLLRNSKSNFMDFDDKHFSESNILRRLQIRRKSEGPIHDSRCFKNMDSANIDKSDQQPDRKLEEGELLTSLFNLITTRKAQLKHRDRKRRLLKRLITEVCGNVANQKRSKSRENNTPSSNRKYAWSNSSEAQTTKVDYQTDKITTKQDEGWFKNRICASPTKPEESNISSKDTLLAATVRYARRLSNASVSRFNLSANSSSRNSECRDASMDSLNNQKHQQHLNNRWDADGSKRSADIYEDKEQNYNDFITKTSSLPMKKELKQNNSNSSRKSSKPQNPKQTKDLSDHISKRRPRKSTEGGHKRSPTSSCGHCSCSSGSRSEKGSPTHETPQHQTGQTKLSYFRDGIQKLRNKFASEKQKSFENYVPRFHSSSISKSRNSWSESEASRKSTDSLSNNSISTDSSPTVETSLSSDTESYRSESNTDNSISSSSSSENMVNKSNCMESPITTAVRKRFQTRLSSVRHSITSITNALFRQDKNSGRNILQKQSTIESQESGLTSTKNYWIDSLRWFIGSRITNMSSNDLIYLLSRKQMTKSLARYNKERLTCVFLSDQEKSWDVHQLFRSVGCQLIPYGLDISVTTHDLEKPVSVRQQFMKLNQMDELRNSFAMSENGYILKPALLRIPTINRYHRKLITRRKYQKLFPKSDPNSNNMRNQLSSYLRCACCYDPLDMSSECELIGKIYDGITNLNWPTTSSQEANFYLPWNYTLQLINFMKIHSLHPERSLLNRQESMETQSYQYNTVKPNKLPKRYRRAANATNTTPRRQRHASASRAAVVRNGASFKNFQSTPIKANSWGLTQVRHQSQENVNLNNRNIDFHERRRLNPLKRNYENIIIEAEIKAPLFKFSHLTTNISSRFCQVPEEHNIVRYCLYSNNSSFSTDDVTANNQYTLRKSKTLSRSSYVLSSMLNDKERIPMFSSFNSITRCNSELMLDWLSTRKVTFSRIHLPESICIRINTESHRKECDNDVKSYENMGNVIASCIINSNSPLNKALTGFQHFQLKLFDRYKTKIIPREKKDDVSEFIHSVFHERLKATIGLLIFCKINMDTYVPHSLGDLIETLTRKYDTRLRTIPSNQQTNDKQCSANRSKSYLYLDRHQSIKEISTLKQSIIRSNSFTYKEYGKNLQQNAT
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	46.2	Very low	77 Å²	77	82 Å²	82	38%	0.379	40%	0.399	S	S	.	.				0	-87.3	0	-73.3	173.9	170.5	0	0	111	K3 N4 N5 S198 L250 D251	M1-K3 PolarHBondContact O-N 3.24Å; M1-N4 PolarHBondContact N-OD1 2.77Å; M1-N4 CarbonylContact O-C 3.55Å; M1-N4 WeakPolarHBondContact O-CA 3.29Å; M1-N4 WeakPolarHBondContact O-CB 3.22Å; M1-N4 PolarHBondContact O-N 2.92Å; M1-N5 PolarHBondContact O-N 3.38Å; M1-N5 PolarHBondContact O-OD1 3.31Å; M1-S198 WeakPolarHBondContact CE-OG 3.46Å; M1-S198 PolarHBondContact SD-OG 3.46Å; M1-L250 HydrophobicContact SD-CD2 4.06Å; M1-D251 WeakPolarHBondContact CG-OD1 3.09Å
2	L	51.2	Low	47.2	Very low	26 Å²	26	86.9 Å²	86.9	14%	0.136	42%	0.421	C	S	.	.	H	α-helix	trans	-49.9	-51	-177.1	-73.8	175.1	0	0	0	114.4	N4 N5 I6 L55 W56 I177	L2-N4 VanDerWaalsContact C-N 3.28Å; L2-N4 PolarHBondContact O-N 3.39Å; L2-N5 PolarHBondContact O-N 3.23Å; L2-I6 WeakPolarHBondContact O-CD1 3.46Å; L2-I6 VanDerWaalsContact O-CG1 3.28Å; L2-I6 WeakPolarHBondContact O-CG1 3.35Å; L2-I6 PolarHBondContact O-N 3.28Å; L2-L55 HydrophobicContact CB-CD1 3.96Å; L2-W56 HydrophobicContact CD2-CH2 3.83Å; L2-W56 HydrophobicContact CD2-CZ3 3.9Å; L2-I177 HydrophobicContact CD2-CB 4.33Å; L2-I177 HydrophobicContact CD2-CD1 4.24Å; L2-I177 HydrophobicContact CD2-CG2 3.7Å; L2-I177 HydrophobicContact CG-CG2 4.12Å
3	K	53.3	Low	48.1	Very low	103 Å²	103	81.6 Å²	81.6	45%	0.448	40%	0.398	S	S	.	.	H	α-helix	trans	-58.8	-34.3	174.7	-66.8	-173.6	178.5	178.9	0	113.2	M1 Q7 L55	M1-K3 PolarHBondContact O-N 3.24Å; K3-Q7 WeakPolarHBondContact O-CG 3.29Å; K3-Q7 PolarHBondContact O-N 3.33Å; K3-L55 HydrophobicContact CG-CD1 3.81Å; K3-L55 HydrophobicContact CG-CD2 4.37Å
4	N	44.7	Very low	49	Very low	82 Å²	82	81.9 Å²	81.9	44%	0.439	40%	0.398	S	S	.	.	H	α-helix	trans	-75.3	-37.3	178.5	-49.6	61.5	0	0	0	112.6	M1 L2 I6 Q7 N8	M1-N4 PolarHBondContact N-OD1 2.77Å; M1-N4 CarbonylContact O-C 3.55Å; M1-N4 WeakPolarHBondContact O-CA 3.29Å; M1-N4 WeakPolarHBondContact O-CB 3.22Å; M1-N4 PolarHBondContact O-N 2.92Å; L2-N4 VanDerWaalsContact C-N 3.28Å; L2-N4 PolarHBondContact O-N 3.39Å; N4-I6 VanDerWaalsContact C-N 3.3Å; N4-Q7 PolarHBondContact O-N 2.84Å; N4-N8 PolarHBondContact O-N 3.08Å; N4-N8 PolarHBondContact O-ND2 2.93Å
5	N	50.2	Low	50.3	Low	19 Å²	19	78.6 Å²	78.6	10%	0.102	38%	0.382	C	S	.	.	H	α-helix	trans	-70.8	-29.8	176.4	-69	19.4	0	0	0	110.7	M1 L2 L250	M1-N5 PolarHBondContact O-N 3.38Å; M1-N5 PolarHBondContact O-OD1 3.31Å; L2-N5 PolarHBondContact O-N 3.23Å; N5-L250 PolarHBondContact ND2-O 2.86Å
6	I	52.7	Low	51	Low	40 Å²	40	76.1 Å²	76.1	21%	0.205	37%	0.374	C	S	.	.	H	α-helix	trans	-74.4	-39.7	173.4	-67.4	162.9	0	0	0	111.6	L2 N4 N8 E12 L55 W56	L2-I6 WeakPolarHBondContact O-CD1 3.46Å; L2-I6 VanDerWaalsContact O-CG1 3.28Å; L2-I6 WeakPolarHBondContact O-CG1 3.35Å; L2-I6 PolarHBondContact O-N 3.28Å; N4-I6 VanDerWaalsContact C-N 3.3Å; I6-N8 PolarHBondContact O-N 2.8Å; I6-E12 HydrophobicContact CG2-CG 4.15Å; I6-E12 VanDerWaalsContact CG2-OE1 3.29Å; I6-E12 WeakPolarHBondContact CG2-OE1 3.29Å; I6-L55 HydrophobicContact CD1-CD1 3.44Å; I6-L55 VanDerWaalsContact CD1-CD1 3.44Å; I6-W56 HydrophobicContact CD1-CH2 4.22Å; I6-W56 HydrophobicContact CD1-CZ2 3.63Å; I6-W56 HydrophobicContact CG1-CZ2 4Å
7	Q	39.5	Very low	52.2	Low	158 Å²	158	72.8 Å²	72.8	74%	0.738	36%	0.356	S	S	*	.	S	Bend	trans	-61.2	-13.7	173.4	-78.5	174.8	-28	0	0	113.6	K3 N4	K3-Q7 WeakPolarHBondContact O-CG 3.29Å; K3-Q7 PolarHBondContact O-N 3.33Å; N4-Q7 PolarHBondContact O-N 2.84Å
8	N	37.9	Very low	53.1	Low	111 Å²	111	74.4 Å²	74.4	59%	0.594	37%	0.366	S	S	*	.	S	Bend	trans	-120.9	69.5	-178	-72	-59.2	0	0	0	113.3	N4 I6	N4-N8 PolarHBondContact O-N 3.08Å; N4-N8 PolarHBondContact O-ND2 2.93Å; I6-N8 PolarHBondContact O-N 2.8Å
9	K	44.9	Very low	54.3	Low	137 Å²	137	76.5 Å²	76.5	60%	0.596	39%	0.386	S	S	*	.	S	Bend	trans	146.5	171.1	149	-78.3	157.4	-173.6	177.5	0	112.7	S11	K9-S11 VanDerWaalsContact C-N 3.35Å; K9-S11 PolarHBondContact O-N 3.32Å
10	H	45.1	Very low	55.8	Low	121 Å²	121	73.3 Å²	73.3	56%	0.56	37%	0.37	S	S	*	.	S	Bend	trans	-83.6	20	-161.5	-72.2	-50.4	0	0	0	117.3
11	S	50.7	Low	57.1	Low	28 Å²	28	72.1 Å²	72.1	20%	0.196	37%	0.368	C	S	.	.			trans	-121.7	62.4	-169.3	48.7	0	0	0	0	113.4	K9 W170	K9-S11 VanDerWaalsContact C-N 3.35Å; K9-S11 PolarHBondContact O-N 3.32Å; S11-W170 VanDerWaalsContact O-CZ2 3.25Å; S11-W170 WeakPolarHBondContact O-CZ2 3.46Å
12	E	58	Low	59.2	Low	141 Å²	141	73.6 Å²	73.6	66%	0.659	38%	0.377	S	S	*	.			trans	-76.3	138.3	166	-74.1	-165.9	142.3	0	0	111.7	I6 H14	I6-E12 HydrophobicContact CG2-CG 4.15Å; I6-E12 VanDerWaalsContact CG2-OE1 3.29Å; I6-E12 WeakPolarHBondContact CG2-OE1 3.29Å; E12-H14 PolarHBondContact O-N 3.33Å
13	P	59.6	Low	60.7	Low	18 Å²	18	75.1 Å²	75.1	12%	0.117	39%	0.385	C	S	.	.			trans	-70.7	119.7	171.5	-12.2	27	0	0	0	110.9	L15 W170	P13-L15 HydrophobicContact CB-CD2 3.62Å; P13-L15 HydrophobicContact CB-CG 3.99Å; P13-L15 PolarHBondContact O-N 3.46Å; P13-W170 HydrophobicContact CB-CD2 4.07Å; P13-W170 HydrophobicContact CB-CE3 3.66Å; P13-W170 HydrophobicContact CB-CH2 4.04Å; P13-W170 HydrophobicContact CB-CZ2 4.42Å; P13-W170 HydrophobicContact CB-CZ3 3.64Å; P13-W170 HydrophobicContact CG-CD2 3.62Å; P13-W170 HydrophobicContact CG-CE3 3.77Å; P13-W170 HydrophobicContact CG-CG 4.08Å; P13-W170 HydrophobicContact CG-CH2 4.15Å; P13-W170 HydrophobicContact CG-CZ2 4.01Å; P13-W170 HydrophobicContact CG-CZ3 4.03Å
14	H	60.5	Low	62.2	Low	86 Å²	86	70.2 Å²	70.2	40%	0.398	36%	0.364	S	S	.	.			trans	-76.3	76	167.6	-171.5	-70.3	0	0	0	109.9	E12 R427	E12-H14 PolarHBondContact O-N 3.33Å; H14-R427 PolarHBondContact CD2-NH1 3.11Å
15	L	67.7	Low	64.1	Low	32 Å²	32	67 Å²	67	17%	0.168	35%	0.347	C	S	.	.			trans	-65.9	134.7	-177.1	-57.6	177.8	0	0	0	111.2	P13 W17 W56 F58	P13-L15 HydrophobicContact CB-CD2 3.62Å; P13-L15 HydrophobicContact CB-CG 3.99Å; P13-L15 PolarHBondContact O-N 3.46Å; L15-W17 HydrophobicContact CB-CD2 4.15Å; L15-W17 HydrophobicContact CB-CZ2 4.18Å; L15-W17 HydrophobicContact CD1-CZ2 3.81Å; L15-W17 HydrophobicContact CD2-CH2 3.9Å; L15-W17 HydrophobicContact CD2-CZ2 3.75Å; L15-W17 HydrophobicContact CG-CZ2 4.12Å; L15-W17 PolarHBondContact O-N 2.86Å; L15-W56 HydrophobicContact CD1-CB 3.71Å; L15-W56 HydrophobicContact CD1-CG 4.25Å; L15-W56 WeakPolarHBondContact CD1-O 3.35Å; L15-F58 HydrophobicContact CD2-CZ 4.31Å
16	P	62.8	Low	65.5	Low	39 Å²	39	71 Å²	71	25%	0.253	37%	0.366	S	S	.	.	S	Bend	trans	-83.2	38.6	176.9	36.3	-38.6	0	0	0	112.8	T159	P16-T159 HydrophobicContact CB-CG2 3.81Å; P16-T159 HydrophobicContact CG-CG2 3.44Å; P16-T159 VanDerWaalsContact CG-CG2 3.44Å
17	W	70.7	Confident	67	Low	19 Å²	19	69.7 Å²	69.7	7%	0.072	36%	0.362	C	S	.	.	S	Bend	trans	-149.8	161.4	173.5	58.5	80.2	0	0	0	111.2	L15 W56 F58 H156 R160 L163	L15-W17 HydrophobicContact CB-CD2 4.15Å; L15-W17 HydrophobicContact CB-CZ2 4.18Å; L15-W17 HydrophobicContact CD1-CZ2 3.81Å; L15-W17 HydrophobicContact CD2-CH2 3.9Å; L15-W17 HydrophobicContact CD2-CZ2 3.75Å; L15-W17 HydrophobicContact CG-CZ2 4.12Å; L15-W17 PolarHBondContact O-N 2.86Å; W17-W56 PolarHBondContact NE1-O 3.16Å; W17-F58 AromaticContact CH2-CE1 3.84Å; W17-F58 HydrophobicContact CH2-CE1 3.84Å; W17-F58 HydrophobicContact CZ2-CD1 4.34Å; W17-F58 AromaticContact CZ2-CE1 3.78Å; W17-F58 HydrophobicContact CZ2-CE1 3.78Å; W17-F58 HydrophobicContact CZ2-CZ 4.36Å; W17-H156 HydrophobicContact CB-CB 3.63Å; W17-R160 HydrophobicContact CD2-CG 4.17Å; W17-R160 HydrophobicContact CE3-CG 3.87Å; W17-R160 HydrophobicContact CH2-CG 4.46Å; W17-R160 HydrophobicContact CZ3-CG 4.04Å; W17-L163 HydrophobicContact CH2-CD2 3.44Å; W17-L163 VanDerWaalsContact CH2-CD2 3.44Å; W17-L163 HydrophobicContact CZ3-CD2 3.43Å; W17-L163 VanDerWaalsContact CZ3-CD2 3.43Å
18	L	67.6	Low	69	Low	102 Å²	102	64.3 Å²	64.3	53%	0.534	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-52.9	141.7	-178.4	-69.1	166.4	0	0	0	112.9
19	P	77.5	Confident	71.1	Confident	115 Å²	115	63.9 Å²	63.9	75%	0.747	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-61.2	147.7	174.2	27.6	-35.1	0	0	0	111	P21	P19-P21 WeakPolarHBondContact O-CD 3.36Å
20	V	82.7	Confident	72.8	Confident	11 Å²	11	57.4 Å²	57.4	7%	0.067	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-68.2	124.3	-179.2	-171.5	0	0	0	0	109.3	N22 L24 T25 I53 L152	V20-N22 PolarHBondContact O-N 2.65Å; V20-L24 HydrophobicContact CG1-CB 3.95Å; V20-T25 HydrophobicContact CB-CG2 3.71Å; V20-T25 HydrophobicContact CG1-CG2 3.56Å; V20-I53 HydrophobicContact CG1-CB 4.3Å; V20-I53 HydrophobicContact CG1-CG2 4.15Å; V20-L152 HydrophobicContact CG2-CD1 4.1Å
21	P	84.4	Confident	74.2	Confident	49 Å²	49	52.6 Å²	52.6	32%	0.318	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-58.7	137	179.2	-25.3	34.4	0	0	0	111.9	P19 L23 L24 T25 N148	P19-P21 WeakPolarHBondContact O-CD 3.36Å; P21-L23 PolarHBondContact O-N 3.21Å; P21-L24 PolarHBondContact O-N 3.07Å; P21-T25 PolarHBondContact O-N 2.82Å; P21-N148 HydrophobicContact CG-CB 4.48Å
22	N	81.9	Confident	75.4	Confident	108 Å²	108	51.5 Å²	51.5	58%	0.578	28%	0.276	S	S	*	.	H	α-helix	trans	-47.1	-44.1	-173.9	-75.3	6.5	0	0	0	113.4	V20 L24 T25 E26	V20-N22 PolarHBondContact O-N 2.65Å; N22-L24 VanDerWaalsContact C-N 3.26Å; N22-L24 PolarHBondContact O-N 3.49Å; N22-T25 CarbonylContact O-C 3.4Å; N22-T25 WeakPolarHBondContact O-CA 3.5Å; N22-T25 PolarHBondContact O-N 2.68Å; N22-T25 PolarHBondContact O-OG1 2.87Å; N22-E26 WeakPolarHBondContact O-CB 3.45Å; N22-E26 PolarHBondContact O-N 2.8Å
23	L	83.2	Confident	75.9	Confident	58 Å²	58	44.9 Å²	44.9	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-43.9	-47.9	174.3	-178.3	72.9	0	0	0	113.2	P21 G27 L144	P21-L23 PolarHBondContact O-N 3.21Å; L23-G27 PolarHBondContact O-N 2.91Å; L23-L144 HydrophobicContact CD2-CD2 3.6Å; L23-L144 HydrophobicContact CD2-CG 3.77Å
24	L	84.4	Confident	76.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-77	-25.9	-178.3	-53.7	-173.7	0	0	0	112.4	V20 P21 N22 I53 W145 N148	V20-L24 HydrophobicContact CG1-CB 3.95Å; P21-L24 PolarHBondContact O-N 3.07Å; N22-L24 VanDerWaalsContact C-N 3.26Å; N22-L24 PolarHBondContact O-N 3.49Å; L24-I53 HydrophobicContact CB-CB 4.27Å; L24-I53 HydrophobicContact CB-CD1 3.87Å; L24-I53 HydrophobicContact CB-CG1 4.07Å; L24-I53 HydrophobicContact CD1-CD1 3.75Å; L24-I53 HydrophobicContact CG-CD1 4.31Å; L24-I53 PolarHBondContact O-N 3.22Å; L24-W145 HydrophobicContact CD2-CD2 3.39Å; L24-W145 HydrophobicContact CD2-CE3 3.58Å; L24-W145 HydrophobicContact CD2-CG 3.91Å; L24-W145 HydrophobicContact CD2-CH2 3.96Å; L24-W145 HydrophobicContact CD2-CZ2 3.8Å; L24-W145 HydrophobicContact CD2-CZ3 3.86Å; L24-N148 HydrophobicContact CD1-CB 3.84Å
25	T	83.6	Confident	75.9	Confident	15 Å²	15	44.7 Å²	44.7	9%	0.092	24%	0.241	C	C	.	.	H	α-helix	trans	-83	-27.4	177.1	74.1	0	0	0	0	113.3	V20 P21 N22 L55	V20-T25 HydrophobicContact CB-CG2 3.71Å; V20-T25 HydrophobicContact CG1-CG2 3.56Å; P21-T25 PolarHBondContact O-N 2.82Å; N22-T25 CarbonylContact O-C 3.4Å; N22-T25 WeakPolarHBondContact O-CA 3.5Å; N22-T25 PolarHBondContact O-N 2.68Å; N22-T25 PolarHBondContact O-OG1 2.87Å; T25-L55 HydrophobicContact CG2-CD2 4.01Å
26	E	81	Confident	75	Confident	104 Å²	104	47.3 Å²	47.3	49%	0.486	25%	0.253	S	S	.	.	H	α-helix	trans	-82.1	-45	175.8	-74.7	164.1	-162.7	0	0	109.1	N22 F50 Q52	N22-E26 WeakPolarHBondContact O-CB 3.45Å; N22-E26 PolarHBondContact O-N 2.8Å; E26-F50 WeakPolarHBondContact O-CE1 3.26Å; E26-F50 WeakPolarHBondContact O-CZ 3.41Å; E26-Q52 PolarHBondContact O-NE2 2.73Å
27	G	82.7	Confident	74	Confident	12 Å²	12	48.6 Å²	48.6	12%	0.124	26%	0.26	C	S	.	.			trans	97.7	163.1	172.2	0	0	0	0	0	113.8	L23 F50 V51	L23-G27 PolarHBondContact O-N 2.91Å; G27-F50 VanDerWaalsContact O-CZ 3.32Å; G27-F50 WeakPolarHBondContact O-CZ 3.17Å; G27-V51 WeakPolarHBondContact CA-O 3.47Å
28	D	82.8	Confident	72.5	Confident	45 Å²	45	53.8 Å²	53.8	24%	0.241	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	160.1	178.4	-90.3	-57.6	0	0	0	110.8	F30 F50 V51 T141 W145	D28-F30 HydrophobicContact CB-CD2 4.3Å; D28-F30 HydrophobicContact CB-CE2 3.66Å; D28-F30 HydrophobicContact CB-CZ 4.3Å; D28-F30 WeakPolarHBondContact O-CD2 3.44Å; D28-F50 WeakPolarHBondContact O-CD2 3.45Å; D28-V51 PolarHBondContact N-O 3.32Å; D28-V51 PolarHBondContact O-N 3.15Å; D28-T141 WeakPolarHBondContact OD2-CG2 3.18Å; D28-W145 HydrophobicContact CB-CZ2 3.9Å; D28-W145 PolarHBondContact OD2-NE1 3.29Å
29	E	81.3	Confident	70.8	Confident	102 Å²	102	52.4 Å²	52.4	48%	0.477	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.1	175.1	-165.5	-170.7	157.3	0	0	111	K48 F50	E29-K48 WeakPolarHBondContact OE1-CD 3.49Å; E29-K48 WeakPolarHBondContact OE1-CG 3.22Å; E29-K48 IonicContact OE1-NZ 2.7Å; E29-K48 PolarHBondContact OE1-NZ 3.42Å; E29-F50 HydrophobicContact CB-CD2 4.49Å
30	F	80.4	Confident	69	Low	1 Å²	1	52.6 Å²	52.6	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	151.7	175.4	-66.9	-96.8	0	0	0	110.5	D28 V49 V51 L133 L134 V135 L142 W145	D28-F30 HydrophobicContact CB-CD2 4.3Å; D28-F30 HydrophobicContact CB-CE2 3.66Å; D28-F30 HydrophobicContact CB-CZ 4.3Å; D28-F30 WeakPolarHBondContact O-CD2 3.44Å; F30-V49 PolarHBondContact N-O 3.18Å; F30-V49 PolarHBondContact O-N 3.19Å; F30-V51 HydrophobicContact CB-CG2 4.01Å; F30-V51 HydrophobicContact CD2-CB 3.67Å; F30-V51 HydrophobicContact CD2-CG2 3.52Å; F30-V51 HydrophobicContact CE2-CB 4.02Å; F30-V51 HydrophobicContact CE2-CG2 4.33Å; F30-V51 HydrophobicContact CG-CG2 4.06Å; F30-L133 HydrophobicContact CB-CD2 4.03Å; F30-L133 HydrophobicContact CD1-CB 3.73Å; F30-L133 HydrophobicContact CD1-CD2 4.41Å; F30-L133 HydrophobicContact CE1-CB 4.19Å; F30-L133 HydrophobicContact CG-CB 4.35Å; F30-L133 HydrophobicContact CG-CD2 4.2Å; F30-L134 CarbonylContact C-O 3.56Å; F30-L134 WeakPolarHBondContact CA-O 3.48Å; F30-V135 HydrophobicContact CD1-CG2 3.44Å; F30-V135 VanDerWaalsContact CD1-CG2 3.44Å; F30-V135 HydrophobicContact CE1-CG2 3.4Å; F30-V135 HydrophobicContact CG-CG2 4.22Å; F30-V135 HydrophobicContact CZ-CG2 4.15Å; F30-L142 HydrophobicContact CD1-CD2 4.47Å; F30-L142 HydrophobicContact CE1-CD2 3.97Å; F30-W145 HydrophobicContact CE2-CD2 4.04Å; F30-W145 AromaticContact CE2-CE2 3.91Å; F30-W145 HydrophobicContact CE2-CE3 4.17Å; F30-W145 HydrophobicContact CE2-CH2 4.16Å; F30-W145 AromaticContact CE2-CZ2 3.99Å; F30-W145 HydrophobicContact CE2-CZ2 3.99Å; F30-W145 HydrophobicContact CE2-CZ3 4.23Å; F30-W145 AromaticContact CZ-CD2 3.63Å; F30-W145 HydrophobicContact CZ-CD2 3.63Å; F30-W145 AromaticContact CZ-CE2 3.86Å; F30-W145 AromaticContact CZ-CE3 3.94Å; F30-W145 HydrophobicContact CZ-CE3 3.94Å; F30-W145 AromaticContact CZ-CG 3.9Å; F30-W145 HydrophobicContact CZ-CG 3.9Å; F30-W145 HydrophobicContact CZ-CZ2 4.4Å; F30-W145 HydrophobicContact CZ-CZ3 4.46Å
31	S	75.6	Confident	66.6	Low	20 Å²	20	57 Å²	57	14%	0.14	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	118.7	161	-55.6	0	0	0	0	108.3	L134	S31-L134 PolarHBondContact N-O 2.57Å; S31-L134 WeakPolarHBondContact O-CB 3.49Å; S31-L134 PolarHBondContact O-N 3.46Å
32	L	75.3	Confident	64.4	Low	5 Å²	5	59.6 Å²	59.6	3%	0.026	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	137.5	-177.2	-169.7	76.1	0	0	0	110.4	Y34 W46 N47 V49 W62 V131 F132 L133	L32-Y34 HydrophobicContact CD2-CD2 4.45Å; L32-Y34 HydrophobicContact CD2-CE2 3.61Å; L32-Y34 HydrophobicContact CG-CE2 4.33Å; L32-W46 WeakPolarHBondContact O-CA 3.16Å; L32-N47 WeakPolarHBondContact CB-O 3.45Å; L32-N47 PolarHBondContact N-O 2.97Å; L32-N47 PolarHBondContact O-N 3.15Å; L32-V49 HydrophobicContact CB-CG1 4.31Å; L32-V49 HydrophobicContact CB-CG2 3.78Å; L32-V49 HydrophobicContact CD2-CG1 4.33Å; L32-V49 HydrophobicContact CD2-CG2 4.5Å; L32-W62 HydrophobicContact CD1-CZ2 4.11Å; L32-W62 HydrophobicContact CD2-CZ2 4.06Å; L32-V131 HydrophobicContact CD1-CG1 3.48Å; L32-V131 VanDerWaalsContact CD1-CG1 3.48Å; L32-F132 WeakPolarHBondContact CA-O 3.41Å; L32-L133 HydrophobicContact CD1-CD2 3.65Å
33	C	67.8	Low	62.2	Low	2 Å²	2	63.4 Å²	63.4	1%	0.014	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.5	160.6	-165	0	0	0	0	111.1	W46 F132	C33-W46 HydrophobicContact CB-CD2 4.17Å; C33-W46 HydrophobicContact CB-CE3 3.73Å; C33-W46 HydrophobicContact CB-CH2 4.02Å; C33-W46 HydrophobicContact CB-CZ2 4.42Å; C33-W46 HydrophobicContact CB-CZ3 3.63Å; C33-F132 HydrophobicContact CB-CB 4.29Å; C33-F132 PolarHBondContact N-O 3.21Å; C33-F132 PolarHBondContact O-N 2.97Å
34	Y	65.3	Low	60.6	Low	48 Å²	48	63.9 Å²	63.9	19%	0.188	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	146.2	167.4	-57.3	-85.2	0	0	0	109	L32 W62 L108 Y125 V131	L32-Y34 HydrophobicContact CD2-CD2 4.45Å; L32-Y34 HydrophobicContact CD2-CE2 3.61Å; L32-Y34 HydrophobicContact CG-CE2 4.33Å; Y34-W62 HydrophobicContact CE1-CZ2 4.39Å; Y34-L108 HydrophobicContact CE1-CD1 4.38Å; Y34-Y125 AromaticContact CD1-CE1 3.77Å; Y34-Y125 HydrophobicContact CD1-CE1 3.77Å; Y34-Y125 HydrophobicContact CE1-CE1 4.18Å; Y34-Y125 AromaticContact CG-CE1 3.94Å; Y34-Y125 HydrophobicContact CG-CE1 3.94Å; Y34-V131 HydrophobicContact CD1-CG2 4.31Å; Y34-V131 HydrophobicContact CE1-CG2 4.28Å
35	Q	55.4	Low	59.2	Low	51 Å²	51	68.6 Å²	68.6	24%	0.238	36%	0.362	C	S	.	.			trans	-101.9	96.4	168.5	-177.3	170.4	29.8	0	0	109.4	T37 F132	Q35-T37 PolarHBondContact O-N 3.07Å; Q35-T37 VanDerWaalsContact O-N 3.16Å; Q35-F132 HydrophobicContact CB-CE2 3.82Å
36	E	47.9	Very low	58.1	Low	87 Å²	87	71.1 Å²	71.1	41%	0.407	37%	0.37	S	S	.	.			trans	-60.4	113.4	165.1	-74.1	-170.9	170.3	0	0	108.1	E38 K42	E36-E38 PolarHBondContact O-N 3.48Å; E36-E38 VanDerWaalsContact O-N 3.14Å; E36-K42 IonicContact OE2-NZ 3.36Å; E36-K42 PolarHBondContact OE2-NZ 3.18Å
37	T	43.3	Very low	57.5	Low	67 Å²	67	67.6 Å²	67.6	41%	0.411	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.3	-174	47.3	0	0	0	0	114.3	Q35	Q35-T37 PolarHBondContact O-N 3.07Å; Q35-T37 VanDerWaalsContact O-N 3.16Å
38	E	38.2	Very low	57.1	Low	127 Å²	127	72.6 Å²	72.6	59%	0.593	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-19.5	-174.3	-59.9	-173.1	150	0	0	114.6	E36	E36-E38 PolarHBondContact O-N 3.48Å; E36-E38 VanDerWaalsContact O-N 3.14Å
39	N	33	Very low	56.8	Low	73 Å²	73	70.7 Å²	70.7	39%	0.39	36%	0.363	S	S	.	.			trans	-152.6	86.9	-174.5	-90.7	-91.4	0	0	0	112.3	S41 K42	N39-S41 PolarHBondContact O-N 2.83Å; N39-S41 VanDerWaalsContact O-N 3.15Å; N39-K42 HydrophobicContact CB-CD 4.1Å; N39-K42 HydrophobicContact CB-CG 4.25Å
40	P	39.2	Very low	56.9	Low	120 Å²	120	70.3 Å²	70.3	78%	0.779	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-5.7	176.8	29.8	-36	0	0	0	114.3
41	S	31.2	Very low	57.1	Low	104 Å²	104	70.2 Å²	70.2	73%	0.727	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.4	-178.5	52.2	0	0	0	0	114.8	N39	N39-S41 PolarHBondContact O-N 2.83Å; N39-S41 VanDerWaalsContact O-N 3.15Å
42	K	39	Very low	57.6	Low	103 Å²	103	71.2 Å²	71.2	45%	0.448	36%	0.361	S	S	.	.	S	Bend	trans	-81	142.1	171.8	-68.4	171.4	-172.6	151.5	0	109.9	E36 N39 M44	E36-K42 IonicContact OE2-NZ 3.36Å; E36-K42 PolarHBondContact OE2-NZ 3.18Å; N39-K42 HydrophobicContact CB-CD 4.1Å; N39-K42 HydrophobicContact CB-CG 4.25Å; K42-M44 PolarHBondContact O-N 3.16Å
43	Q	35.5	Very low	58.3	Low	188 Å²	188	71 Å²	71	88%	0.879	36%	0.36	S	S	*	.			trans	-55.9	126.7	173.5	-73.8	177.9	-51.9	0	0	111.1	T45	Q43-T45 PolarHBondContact O-N 2.72Å; Q43-T45 VanDerWaalsContact O-N 3.17Å
44	M	50.3	Low	59.2	Low	67 Å²	67	71 Å²	71	33%	0.33	36%	0.36	S	S	.	.			trans	-66.7	109.1	171.3	-78.8	174.1	134.2	0	0	110.1	K42 W46 F91	K42-M44 PolarHBondContact O-N 3.16Å; M44-W46 PolarHBondContact O-N 2.92Å; M44-F91 HydrophobicContact CE-CE1 3.71Å; M44-F91 HydrophobicContact CE-CZ 3.62Å; M44-F91 HydrophobicContact SD-CD1 4.35Å; M44-F91 HydrophobicContact SD-CE1 3.51Å; M44-F91 VanDerWaalsContact SD-CE1 3.51Å; M44-F91 HydrophobicContact SD-CZ 4.09Å
45	T	53.5	Low	60	Low	99 Å²	99	70.9 Å²	70.9	61%	0.607	36%	0.363	S	S	*	.			trans	-78.9	98.1	176.2	53.8	0	0	0	0	109.9	Q43 N47	Q43-T45 PolarHBondContact O-N 2.72Å; Q43-T45 VanDerWaalsContact O-N 3.17Å; T45-N47 PolarHBondContact O-N 2.89Å; T45-N47 PolarHBondContact O-OD1 2.9Å
46	W	62.2	Low	61.3	Low	69 Å²	69	69.3 Å²	69.3	26%	0.261	36%	0.355	S	S	.	.			trans	-75.8	99.3	176.8	-71.3	100.8	0	0	0	111.2	L32 C33 M44 F91 M94 L134	L32-W46 WeakPolarHBondContact O-CA 3.16Å; C33-W46 HydrophobicContact CB-CD2 4.17Å; C33-W46 HydrophobicContact CB-CE3 3.73Å; C33-W46 HydrophobicContact CB-CH2 4.02Å; C33-W46 HydrophobicContact CB-CZ2 4.42Å; C33-W46 HydrophobicContact CB-CZ3 3.63Å; M44-W46 PolarHBondContact O-N 2.92Å; W46-F91 AromaticContact CH2-CE1 3.99Å; W46-F91 HydrophobicContact CH2-CE1 3.99Å; W46-F91 HydrophobicContact CH2-CZ 4.41Å; W46-F91 HydrophobicContact CZ2-CD1 4.15Å; W46-F91 AromaticContact CZ2-CE1 3.6Å; W46-F91 HydrophobicContact CZ2-CE1 3.6Å; W46-F91 HydrophobicContact CZ2-CZ 4.44Å; W46-M94 HydrophobicContact CZ2-SD 3.97Å; W46-L134 HydrophobicContact CE3-CB 4.4Å; W46-L134 HydrophobicContact CE3-CD2 4.08Å; W46-L134 HydrophobicContact CH2-CB 4.29Å; W46-L134 HydrophobicContact CH2-CD2 4.01Å; W46-L134 HydrophobicContact CZ3-CB 3.69Å; W46-L134 HydrophobicContact CZ3-CD2 3.8Å; W46-L134 HydrophobicContact CZ3-CG 4.28Å
47	N	68.5	Low	63	Low	29 Å²	29	65.1 Å²	65.1	16%	0.155	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	117.2	-177.5	-67.3	-1.9	0	0	0	109.8	L32 T45 V49	L32-N47 WeakPolarHBondContact CB-O 3.45Å; L32-N47 PolarHBondContact N-O 2.97Å; L32-N47 PolarHBondContact O-N 3.15Å; T45-N47 PolarHBondContact O-N 2.89Å; T45-N47 PolarHBondContact O-OD1 2.9Å; N47-V49 HydrophobicContact CB-CG1 4.47Å; N47-V49 PolarHBondContact O-N 3.02Å
48	K	73.7	Confident	65.1	Low	118 Å²	118	62.2 Å²	62.2	51%	0.513	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	123.7	168.7	-83.2	174.1	164.3	-73.5	0	109.4	E29 I65	E29-K48 WeakPolarHBondContact OE1-CD 3.49Å; E29-K48 WeakPolarHBondContact OE1-CG 3.22Å; E29-K48 IonicContact OE1-NZ 2.7Å; E29-K48 PolarHBondContact OE1-NZ 3.42Å; K48-I65 WeakPolarHBondContact O-CD1 3.33Å
49	V	76.7	Confident	67.4	Low	4 Å²	4	56.5 Å²	56.5	2%	0.024	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	148.2	-179.6	-62.4	0	0	0	0	110.1	F30 L32 N47 V51 W62	F30-V49 PolarHBondContact N-O 3.18Å; F30-V49 PolarHBondContact O-N 3.19Å; L32-V49 HydrophobicContact CB-CG1 4.31Å; L32-V49 HydrophobicContact CB-CG2 3.78Å; L32-V49 HydrophobicContact CD2-CG1 4.33Å; L32-V49 HydrophobicContact CD2-CG2 4.5Å; N47-V49 HydrophobicContact CB-CG1 4.47Å; N47-V49 PolarHBondContact O-N 3.02Å; V49-V51 HydrophobicContact CG2-CG2 3.81Å; V49-W62 HydrophobicContact CB-CB 4.18Å; V49-W62 HydrophobicContact CB-CG 4.37Å; V49-W62 HydrophobicContact CG2-CB 4.31Å; V49-W62 HydrophobicContact CG2-CG 4.32Å
50	F	82.3	Confident	70	Confident	94 Å²	94	53 Å²	53	41%	0.412	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123	169.3	-164.4	-110.4	0	0	0	108.5	E26 G27 D28 E29 Q52 W62	E26-F50 WeakPolarHBondContact O-CE1 3.26Å; E26-F50 WeakPolarHBondContact O-CZ 3.41Å; G27-F50 VanDerWaalsContact O-CZ 3.32Å; G27-F50 WeakPolarHBondContact O-CZ 3.17Å; D28-F50 WeakPolarHBondContact O-CD2 3.45Å; E29-F50 HydrophobicContact CB-CD2 4.49Å; F50-Q52 HydrophobicContact CD1-CG 3.9Å; F50-Q52 HydrophobicContact CE1-CG 3.75Å; F50-W62 WeakPolarHBondContact O-CA 3.34Å; F50-W62 VanDerWaalsContact O-CB 3.27Å; F50-W62 WeakPolarHBondContact O-CB 3.42Å
51	V	84.9	Confident	72.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130	-172.7	-174.5	0	0	0	0	109.6	G27 D28 F30 V49 I60 W62 L133 W145	G27-V51 WeakPolarHBondContact CA-O 3.47Å; D28-V51 PolarHBondContact N-O 3.32Å; D28-V51 PolarHBondContact O-N 3.15Å; F30-V51 HydrophobicContact CB-CG2 4.01Å; F30-V51 HydrophobicContact CD2-CB 3.67Å; F30-V51 HydrophobicContact CD2-CG2 3.52Å; F30-V51 HydrophobicContact CE2-CB 4.02Å; F30-V51 HydrophobicContact CE2-CG2 4.33Å; F30-V51 HydrophobicContact CG-CG2 4.06Å; V49-V51 HydrophobicContact CG2-CG2 3.81Å; V51-I60 HydrophobicContact CG1-CG2 3.51Å; V51-W62 HydrophobicContact CG2-CB 4.18Å; V51-L133 HydrophobicContact CG2-CD2 4.02Å; V51-W145 HydrophobicContact CB-CH2 4.46Å; V51-W145 HydrophobicContact CG1-CH2 4.3Å; V51-W145 HydrophobicContact CG1-CZ3 4.09Å; V51-W145 WeakPolarHBondContact O-CH2 3.2Å
52	Q	87.4	Confident	74.8	Confident	40 Å²	40	43.6 Å²	43.6	19%	0.187	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	158.9	-177.9	-71.3	179.2	-59.8	0	0	110.8	E26 F50 I60 Y61	E26-Q52 PolarHBondContact O-NE2 2.73Å; F50-Q52 HydrophobicContact CD1-CG 3.9Å; F50-Q52 HydrophobicContact CE1-CG 3.75Å; Q52-I60 CarbonylContact O-C 3.54Å; Q52-I60 WeakPolarHBondContact O-CA 3.41Å; Q52-Y61 HydrophobicContact CB-CD1 4.34Å; Q52-Y61 HydrophobicContact CB-CD2 4.36Å; Q52-Y61 HydrophobicContact CB-CE1 3.76Å; Q52-Y61 HydrophobicContact CB-CE2 3.8Å; Q52-Y61 VanDerWaalsContact CB-CZ 3.46Å; Q52-Y61 PolarHBondContact N-O 2.93Å; Q52-Y61 PolarHBondContact O-N 2.95Å; Q52-Y61 PolarHBondContact OE1-OH 3.35Å
53	I	88.4	Confident	76.5	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.2	166.6	-52.3	-170.5	0	0	0	108	V20 L24 F59 I60 L75 L149 L152	V20-I53 HydrophobicContact CG1-CB 4.3Å; V20-I53 HydrophobicContact CG1-CG2 4.15Å; L24-I53 HydrophobicContact CB-CB 4.27Å; L24-I53 HydrophobicContact CB-CD1 3.87Å; L24-I53 HydrophobicContact CB-CG1 4.07Å; L24-I53 HydrophobicContact CD1-CD1 3.75Å; L24-I53 HydrophobicContact CG-CD1 4.31Å; L24-I53 PolarHBondContact O-N 3.22Å; I53-F59 WeakPolarHBondContact CA-O 3Å; I53-I60 HydrophobicContact CD1-CG1 4.35Å; I53-I60 HydrophobicContact CG1-CG1 4.29Å; I53-L75 HydrophobicContact CG2-CD1 3.88Å; I53-L149 HydrophobicContact CD1-CD2 3.53Å; I53-L152 HydrophobicContact CD1-CD2 4Å; I53-L152 HydrophobicContact CG2-CD2 4.29Å
54	D	86.5	Confident	78	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	15%	0.152	C	C	.	.			trans	-68.4	161.1	174.4	74.6	-77.9	0	0	0	112	W56 G57 F58 F59 Y61 T174 I178	D54-W56 PolarHBondContact O-N 3.43Å; D54-W56 VanDerWaalsContact O-N 3.07Å; D54-W56 WeakPolarHBondContact OD2-CA 3.35Å; D54-W56 WeakPolarHBondContact OD2-CB 3.38Å; D54-W56 PolarHBondContact OD2-N 3.04Å; D54-G57 PolarHBondContact O-N 3.41Å; D54-G57 VanDerWaalsContact O-N 3.09Å; D54-G57 PolarHBondContact OD1-N 3.19Å; D54-G57 PolarHBondContact OD2-N 3.29Å; D54-F58 WeakPolarHBondContact OD1-CA 3.2Å; D54-F58 PolarHBondContact OD1-N 2.9Å; D54-F58 PolarHBondContact OD2-N 2.61Å; D54-F59 PolarHBondContact N-O 3.07Å; D54-F59 PolarHBondContact OD1-N 3.26Å; D54-Y61 HydrophobicContact CB-CE1 4.43Å; D54-T174 HydrophobicContact CB-CG2 4.1Å; D54-I178 HydrophobicContact CB-CD1 3.97Å
55	L	83.7	Confident	78.5	Confident	47 Å²	47	32.6 Å²	32.6	25%	0.246	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.7	-174.3	-64.1	167.8	0	0	0	114.1	L2 K3 I6 T25	L2-L55 HydrophobicContact CB-CD1 3.96Å; K3-L55 HydrophobicContact CG-CD1 3.81Å; K3-L55 HydrophobicContact CG-CD2 4.37Å; I6-L55 HydrophobicContact CD1-CD1 3.44Å; I6-L55 VanDerWaalsContact CD1-CD1 3.44Å; T25-L55 HydrophobicContact CG2-CD2 4.01Å
56	W	81.8	Confident	78.8	Confident	17 Å²	17	35 Å²	35	6%	0.064	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-14	-179.4	-54.3	-67.1	0	0	0	112.5	L2 I6 L15 W17 D54 F58 W173 T174	L2-W56 HydrophobicContact CD2-CH2 3.83Å; L2-W56 HydrophobicContact CD2-CZ3 3.9Å; I6-W56 HydrophobicContact CD1-CH2 4.22Å; I6-W56 HydrophobicContact CD1-CZ2 3.63Å; I6-W56 HydrophobicContact CG1-CZ2 4Å; L15-W56 HydrophobicContact CD1-CB 3.71Å; L15-W56 HydrophobicContact CD1-CG 4.25Å; L15-W56 WeakPolarHBondContact CD1-O 3.35Å; W17-W56 PolarHBondContact NE1-O 3.16Å; D54-W56 PolarHBondContact O-N 3.43Å; D54-W56 VanDerWaalsContact O-N 3.07Å; D54-W56 WeakPolarHBondContact OD2-CA 3.35Å; D54-W56 WeakPolarHBondContact OD2-CB 3.38Å; D54-W56 PolarHBondContact OD2-N 3.04Å; W56-F58 HydrophobicContact CB-CD2 3.66Å; W56-F58 HydrophobicContact CB-CE2 3.5Å; W56-F58 VanDerWaalsContact CB-CE2 3.5Å; W56-F58 HydrophobicContact CB-CG 4.47Å; W56-F58 HydrophobicContact CB-CZ 4.21Å; W56-F58 HydrophobicContact CG-CE2 4.12Å; W56-W173 HydrophobicContact CH2-CE3 4.39Å; W56-W173 HydrophobicContact CH2-CH2 4.33Å; W56-W173 AromaticContact CH2-CZ3 3.58Å; W56-W173 HydrophobicContact CH2-CZ3 3.58Å; W56-W173 HydrophobicContact CZ2-CZ3 4.16Å; W56-W173 HydrophobicContact CZ3-CZ3 4.36Å; W56-T174 HydrophobicContact CE3-CG2 3.76Å; W56-T174 VanDerWaalsContact CE3-OG1 3.28Å; W56-T174 HydrophobicContact CZ3-CG2 3.76Å; W56-T174 WeakPolarHBondContact CZ3-OG1 3.49Å
57	G	84.4	Confident	78.5	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	74.2	42.1	177.4	0	0	0	0	0	113.1	D54 L75 R160	D54-G57 PolarHBondContact O-N 3.41Å; D54-G57 VanDerWaalsContact O-N 3.09Å; D54-G57 PolarHBondContact OD1-N 3.19Å; D54-G57 PolarHBondContact OD2-N 3.29Å; G57-L75 VanDerWaalsContact C-CD1 3.42Å; G57-L75 WeakPolarHBondContact O-CD1 3.36Å; G57-R160 VanDerWaalsContact O-CZ 3.23Å; G57-R160 PolarHBondContact O-NH1 3.17Å; G57-R160 PolarHBondContact O-NH2 2.69Å
58	F	85.8	Confident	78.2	Confident	6 Å²	6	42 Å²	42	3%	0.026	20%	0.195	C	C	.	.	S	Bend	trans	-91.4	-34.4	172.8	-64.5	-53.2	0	0	0	113.9	L15 W17 D54 W56 L75 L163 K171 T174	L15-F58 HydrophobicContact CD2-CZ 4.31Å; W17-F58 AromaticContact CH2-CE1 3.84Å; W17-F58 HydrophobicContact CH2-CE1 3.84Å; W17-F58 HydrophobicContact CZ2-CD1 4.34Å; W17-F58 AromaticContact CZ2-CE1 3.78Å; W17-F58 HydrophobicContact CZ2-CE1 3.78Å; W17-F58 HydrophobicContact CZ2-CZ 4.36Å; D54-F58 WeakPolarHBondContact OD1-CA 3.2Å; D54-F58 PolarHBondContact OD1-N 2.9Å; D54-F58 PolarHBondContact OD2-N 2.61Å; W56-F58 HydrophobicContact CB-CD2 3.66Å; W56-F58 HydrophobicContact CB-CE2 3.5Å; W56-F58 VanDerWaalsContact CB-CE2 3.5Å; W56-F58 HydrophobicContact CB-CG 4.47Å; W56-F58 HydrophobicContact CB-CZ 4.21Å; W56-F58 HydrophobicContact CG-CE2 4.12Å; F58-L75 PolarHBondContact O-N 3.45Å; F58-L163 HydrophobicContact CE1-CD1 4.14Å; F58-K171 HydrophobicContact CB-CD 4.12Å; F58-K171 HydrophobicContact CB-CG 4.01Å; F58-K171 HydrophobicContact CD1-CB 4.05Å; F58-K171 HydrophobicContact CD1-CD 3.74Å; F58-K171 HydrophobicContact CD1-CG 4.03Å; F58-K171 HydrophobicContact CD2-CB 3.96Å; F58-K171 HydrophobicContact CD2-CG 4.22Å; F58-K171 HydrophobicContact CE1-CB 4.07Å; F58-K171 HydrophobicContact CE1-CD 4.31Å; F58-K171 HydrophobicContact CE2-CB 3.99Å; F58-K171 HydrophobicContact CG-CB 3.98Å; F58-K171 HydrophobicContact CG-CD 4Å; F58-K171 HydrophobicContact CG-CG 3.85Å; F58-K171 HydrophobicContact CZ-CB 4.04Å; F58-T174 HydrophobicContact CD2-CG2 4.45Å
59	F	87.9	Confident	77.8	Confident	6 Å²	6	36.7 Å²	36.7	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	137.3	-173.8	-55	-81.6	0	0	0	112.3	I53 D54 V73 D74 K171 T174 H175 I178	I53-F59 WeakPolarHBondContact CA-O 3Å; D54-F59 PolarHBondContact N-O 3.07Å; D54-F59 PolarHBondContact OD1-N 3.26Å; F59-V73 CarbonylContact C-O 3.51Å; F59-V73 VanDerWaalsContact CA-O 3.31Å; F59-V73 WeakPolarHBondContact CA-O 3.34Å; F59-D74 HydrophobicContact CD1-CB 4.04Å; F59-D74 HydrophobicContact CE1-CB 4.02Å; F59-K171 HydrophobicContact CE2-CG 3.78Å; F59-K171 WeakPolarHBondContact CE2-O 3.43Å; F59-K171 HydrophobicContact CZ-CD 4.34Å; F59-K171 HydrophobicContact CZ-CG 3.71Å; F59-T174 HydrophobicContact CD2-CG2 4.13Å; F59-T174 HydrophobicContact CE2-CG2 4.26Å; F59-H175 AromaticContact CE1-CD2 3.66Å; F59-H175 HydrophobicContact CE2-CB 3.88Å; F59-H175 HydrophobicContact CZ-CB 3.72Å; F59-H175 AromaticContact CZ-CD2 3.72Å; F59-H175 AromaticContact CZ-CG 3.97Å; F59-I178 HydrophobicContact CB-CD1 4.35Å; F59-I178 HydrophobicContact CD2-CD1 4.09Å
60	I	88.1	Confident	77.7	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	136.2	154	-48.6	-178.1	0	0	0	106.8	V51 Q52 I53 W62 T72 V73 L75 I78 L101 L149	V51-I60 HydrophobicContact CG1-CG2 3.51Å; Q52-I60 CarbonylContact O-C 3.54Å; Q52-I60 WeakPolarHBondContact O-CA 3.41Å; I53-I60 HydrophobicContact CD1-CG1 4.35Å; I53-I60 HydrophobicContact CG1-CG1 4.29Å; I60-W62 HydrophobicContact CG2-CE3 4.26Å; I60-W62 HydrophobicContact CG2-CZ3 4.25Å; I60-T72 CarbonylContact O-C 3.59Å; I60-T72 WeakPolarHBondContact O-CA 3.37Å; I60-V73 PolarHBondContact N-O 3.4Å; I60-V73 PolarHBondContact O-N 3.32Å; I60-L75 HydrophobicContact CD1-CD2 3.85Å; I60-L75 HydrophobicContact CG1-CD1 4.46Å; I60-L75 HydrophobicContact CG1-CD2 3.58Å; I60-L75 HydrophobicContact CG1-CG 3.97Å; I60-I78 HydrophobicContact CD1-CD1 3.78Å; I60-L101 HydrophobicContact CD1-CD1 4.05Å; I60-L149 HydrophobicContact CD1-CD2 3.84Å; I60-L149 HydrophobicContact CG1-CD2 4.5Å
61	Y	87.4	Confident	77.5	Confident	22 Å²	22	32.2 Å²	32.2	9%	0.086	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	153.3	176.4	65.7	-83.6	0	0	0	112.4	Q52 D54 T71 I178	Q52-Y61 HydrophobicContact CB-CD1 4.34Å; Q52-Y61 HydrophobicContact CB-CD2 4.36Å; Q52-Y61 HydrophobicContact CB-CE1 3.76Å; Q52-Y61 HydrophobicContact CB-CE2 3.8Å; Q52-Y61 VanDerWaalsContact CB-CZ 3.46Å; Q52-Y61 PolarHBondContact N-O 2.93Å; Q52-Y61 PolarHBondContact O-N 2.95Å; Q52-Y61 PolarHBondContact OE1-OH 3.35Å; D54-Y61 HydrophobicContact CB-CE1 4.43Å; Y61-T71 VanDerWaalsContact CA-O 3.31Å; Y61-T71 WeakPolarHBondContact CA-O 3.29Å; Y61-I178 HydrophobicContact CD1-CD1 4.01Å; Y61-I178 HydrophobicContact CD1-CG1 4.44Å; Y61-I178 HydrophobicContact CD1-CG2 4.07Å; Y61-I178 HydrophobicContact CD2-CG2 3.76Å; Y61-I178 HydrophobicContact CE1-CD1 4.23Å; Y61-I178 HydrophobicContact CE1-CG1 4.44Å; Y61-I178 HydrophobicContact CE2-CG2 4.37Å; Y61-I178 HydrophobicContact CG-CG2 3.59Å
62	W	83.9	Confident	77.3	Confident	3 Å²	3	32.3 Å²	32.3	1%	0.011	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	158.7	175.3	61.6	89.9	0	0	0	111.3	L32 Y34 V49 F50 V51 I60 T71 V73 V131	L32-W62 HydrophobicContact CD1-CZ2 4.11Å; L32-W62 HydrophobicContact CD2-CZ2 4.06Å; Y34-W62 HydrophobicContact CE1-CZ2 4.39Å; V49-W62 HydrophobicContact CB-CB 4.18Å; V49-W62 HydrophobicContact CB-CG 4.37Å; V49-W62 HydrophobicContact CG2-CB 4.31Å; V49-W62 HydrophobicContact CG2-CG 4.32Å; F50-W62 WeakPolarHBondContact O-CA 3.34Å; F50-W62 VanDerWaalsContact O-CB 3.27Å; F50-W62 WeakPolarHBondContact O-CB 3.42Å; V51-W62 HydrophobicContact CG2-CB 4.18Å; I60-W62 HydrophobicContact CG2-CE3 4.26Å; I60-W62 HydrophobicContact CG2-CZ3 4.25Å; W62-T71 HydrophobicContact CH2-CG2 4.07Å; W62-T71 HydrophobicContact CZ2-CG2 3.53Å; W62-T71 PolarHBondContact N-O 3.11Å; W62-T71 PolarHBondContact O-N 3.2Å; W62-V73 HydrophobicContact CH2-CG2 3.58Å; W62-V73 HydrophobicContact CZ3-CB 4.38Å; W62-V73 HydrophobicContact CZ3-CG2 3.83Å; W62-V131 HydrophobicContact CH2-CG1 4.2Å; W62-V131 HydrophobicContact CZ2-CG1 4.46Å
63	N	74.3	Confident	77.2	Confident	26 Å²	26	30.4 Å²	30.4	14%	0.139	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.4	179.2	-59.1	-45.9	0	0	0	110	I65 N182	N63-I65 PolarHBondContact O-N 2.75Å; N63-N182 PolarHBondContact ND2-ND2 3.5Å; N63-N182 WeakPolarHBondContact OD1-CB 3.48Å; N63-N182 PolarHBondContact OD1-ND2 2.96Å
64	S	66.1	Low	77	Confident	12 Å²	12	31 Å²	31	8%	0.084	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	112	168.4	178.9	0	0	0	0	110	E66 Q67 K68 V69	S64-E66 PolarHBondContact O-N 3.38Å; S64-Q67 PolarHBondContact O-N 3.34Å; S64-Q67 PolarHBondContact OG-N 3.21Å; S64-K68 PolarHBondContact O-N 2.98Å; S64-K68 VanDerWaalsContact O-N 3.07Å; S64-V69 PolarHBondContact N-O 3.09Å
65	I	60.8	Low	76.9	Confident	90 Å²	90	31 Å²	31	46%	0.462	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-42.8	-179.9	-61.7	-177.9	0	0	0	111.2	K48 N63 W186	K48-I65 WeakPolarHBondContact O-CD1 3.33Å; N63-I65 PolarHBondContact O-N 2.75Å; I65-W186 HydrophobicContact CB-CH2 4.03Å; I65-W186 HydrophobicContact CG1-CH2 3.79Å; I65-W186 HydrophobicContact CG1-CZ2 4.13Å; I65-W186 HydrophobicContact CG2-CH2 3.74Å; I65-W186 HydrophobicContact CG2-CZ3 3.97Å
66	E	59.5	Low	76.7	Confident	150 Å²	150	31.2 Å²	31.2	70%	0.701	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-37.5	-175.1	-58.2	-177.5	161.9	0	0	112.9	S64	S64-E66 PolarHBondContact O-N 3.38Å
67	Q	56.9	Low	76.6	Confident	109 Å²	109	34.8 Å²	34.8	51%	0.509	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-10.5	-166.8	-59.5	-175.3	7.5	0	0	114.3	S64 V69	S64-Q67 PolarHBondContact O-N 3.34Å; S64-Q67 PolarHBondContact OG-N 3.21Å; Q67-V69 HydrophobicContact CB-CB 4.32Å; Q67-V69 HydrophobicContact CB-CG2 3.95Å; Q67-V69 PolarHBondContact O-N 3Å
68	K	62.9	Low	76.5	Confident	134 Å²	134	34.9 Å²	34.9	58%	0.583	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	33.5	-172.5	-57.2	179.2	-179.2	176.9	0	112.8	S64	S64-K68 PolarHBondContact O-N 2.98Å; S64-K68 VanDerWaalsContact O-N 3.07Å
69	V	65.4	Low	76.1	Confident	7 Å²	7	37.4 Å²	37.4	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.3	176.7	168.8	0	0	0	0	108.7	S64 Q67 E110 S111 R112	S64-V69 PolarHBondContact N-O 3.09Å; Q67-V69 HydrophobicContact CB-CB 4.32Å; Q67-V69 HydrophobicContact CB-CG2 3.95Å; Q67-V69 PolarHBondContact O-N 3Å; V69-E110 HydrophobicContact CG1-CB 4.1Å; V69-E110 HydrophobicContact CG1-CG 4.35Å; V69-S111 WeakPolarHBondContact CA-O 3.26Å; V69-S111 WeakPolarHBondContact CG1-O 3.44Å; V69-R112 HydrophobicContact CG2-CG 4Å
70	V	73.2	Confident	75.6	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	122.7	162.7	-164.7	0	0	0	0	107.5	T72 S111 I178 N182	V70-T72 HydrophobicContact CG1-CG2 4.27Å; V70-S111 WeakPolarHBondContact CB-OG 3.46Å; V70-S111 PolarHBondContact N-OG 3.16Å; V70-S111 PolarHBondContact O-N 3.15Å; V70-S111 PolarHBondContact O-OG 3.41Å; V70-I178 HydrophobicContact CG1-CG2 4.16Å; V70-N182 HydrophobicContact CG2-CB 3.81Å
71	T	78.3	Confident	75.4	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.3	171.8	-56	0	0	0	0	108.4	Y61 W62 L108 F109 E110	Y61-T71 VanDerWaalsContact CA-O 3.31Å; Y61-T71 WeakPolarHBondContact CA-O 3.29Å; W62-T71 HydrophobicContact CH2-CG2 4.07Å; W62-T71 HydrophobicContact CZ2-CG2 3.53Å; W62-T71 PolarHBondContact N-O 3.11Å; W62-T71 PolarHBondContact O-N 3.2Å; T71-L108 HydrophobicContact CG2-CD2 4.2Å; T71-L108 HydrophobicContact CG2-CG 4.3Å; T71-F109 WeakPolarHBondContact CA-O 3.36Å; T71-E110 HydrophobicContact CG2-CG 4.27Å
72	T	81.6	Confident	74.9	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.9	178.4	64.2	0	0	0	0	109.9	I60 V70 F109 H175 I178	I60-T72 CarbonylContact O-C 3.59Å; I60-T72 WeakPolarHBondContact O-CA 3.37Å; V70-T72 HydrophobicContact CG1-CG2 4.27Å; T72-F109 PolarHBondContact N-O 2.87Å; T72-F109 PolarHBondContact O-N 3.49Å; T72-H175 PolarHBondContact OG1-NE2 3.1Å; T72-I178 HydrophobicContact CG2-CG2 3.77Å
73	V	84.2	Confident	74.4	Confident	1 Å²	1	40 Å²	40	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.9	170.4	170	0	0	0	0	108.8	F59 I60 W62 L75 I78 V103 G107 L108	F59-V73 CarbonylContact C-O 3.51Å; F59-V73 VanDerWaalsContact CA-O 3.31Å; F59-V73 WeakPolarHBondContact CA-O 3.34Å; I60-V73 PolarHBondContact N-O 3.4Å; I60-V73 PolarHBondContact O-N 3.32Å; W62-V73 HydrophobicContact CH2-CG2 3.58Å; W62-V73 HydrophobicContact CZ3-CB 4.38Å; W62-V73 HydrophobicContact CZ3-CG2 3.83Å; V73-L75 PolarHBondContact O-N 3.37Å; V73-I78 HydrophobicContact CG1-CD1 4.21Å; V73-I78 HydrophobicContact CG1-CG1 4.02Å; V73-V103 HydrophobicContact CG1-CG1 3.85Å; V73-V103 HydrophobicContact CG1-CG2 3.91Å; V73-V103 HydrophobicContact CG2-CG2 4.48Å; V73-G107 WeakPolarHBondContact CA-O 3.47Å; V73-L108 HydrophobicContact CG2-CB 4.38Å; V73-L108 HydrophobicContact CG2-CD1 4.09Å; V73-L108 HydrophobicContact CG2-CG 4.09Å
74	D	84.4	Confident	74.1	Confident	12 Å²	12	39.7 Å²	39.7	6%	0.064	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	120.1	174.7	179.8	-15.8	0	0	0	110.5	F59 M76 Y77 G107 F109 K171	F59-D74 HydrophobicContact CD1-CB 4.04Å; F59-D74 HydrophobicContact CE1-CB 4.02Å; D74-M76 PolarHBondContact O-N 3.27Å; D74-M76 WeakPolarHBondContact OD1-CB 3.47Å; D74-M76 PolarHBondContact OD1-N 3.37Å; D74-Y77 HydrophobicContact CB-CD2 3.8Å; D74-Y77 HydrophobicContact CB-CE2 4.45Å; D74-Y77 PolarHBondContact O-N 3.46Å; D74-Y77 WeakPolarHBondContact OD2-CE2 3.47Å; D74-G107 PolarHBondContact N-O 3.49Å; D74-F109 HydrophobicContact CB-CE2 4.17Å; D74-K171 IonicContact OD1-NZ 2.96Å; D74-K171 PolarHBondContact OD1-NZ 3.01Å; D74-K171 VanDerWaalsContact OD2-CE 3.28Å; D74-K171 WeakPolarHBondContact OD2-CE 3.48Å; D74-K171 IonicContact OD2-NZ 3.24Å; D74-K171 PolarHBondContact OD2-NZ 3.17Å
75	L	84.7	Confident	73.7	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.016	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-61.3	-15.9	-177	-78.6	162.6	0	0	0	113.7	I53 G57 F58 I60 V73 Y77 I78 L149 L152 V153	I53-L75 HydrophobicContact CG2-CD1 3.88Å; G57-L75 VanDerWaalsContact C-CD1 3.42Å; G57-L75 WeakPolarHBondContact O-CD1 3.36Å; F58-L75 PolarHBondContact O-N 3.45Å; I60-L75 HydrophobicContact CD1-CD2 3.85Å; I60-L75 HydrophobicContact CG1-CD1 4.46Å; I60-L75 HydrophobicContact CG1-CD2 3.58Å; I60-L75 HydrophobicContact CG1-CG 3.97Å; V73-L75 PolarHBondContact O-N 3.37Å; L75-Y77 VanDerWaalsContact C-N 3.3Å; L75-I78 HydrophobicContact CD2-CD1 3.88Å; L75-L149 HydrophobicContact CD2-CD2 4.27Å; L75-L152 HydrophobicContact CD1-CD2 3.69Å; L75-L152 HydrophobicContact CD2-CD2 4.23Å; L75-V153 HydrophobicContact CD2-CG2 3.58Å
76	M	79.3	Confident	73.2	Confident	50 Å²	50	43 Å²	43	25%	0.246	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-75.8	-15.2	174.3	-64.7	179.4	55.9	0	0	113.9	D74 R160 V161 L163 K171	D74-M76 PolarHBondContact O-N 3.27Å; D74-M76 WeakPolarHBondContact OD1-CB 3.47Å; D74-M76 PolarHBondContact OD1-N 3.37Å; M76-R160 WeakPolarHBondContact CE-O 3.47Å; M76-R160 VanDerWaalsContact SD-O 3.38Å; M76-V161 HydrophobicContact CE-CG2 4.43Å; M76-L163 HydrophobicContact SD-CD1 4.46Å; M76-K171 PolarHBondContact SD-NZ 3.36Å
77	Y	80.2	Confident	72.4	Confident	92 Å²	92	41.2 Å²	41.2	36%	0.361	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-113.2	10.7	-173.1	-71.1	-82.1	0	0	0	113.8	D74 L75 S104 E106	D74-Y77 HydrophobicContact CB-CD2 3.8Å; D74-Y77 HydrophobicContact CB-CE2 4.45Å; D74-Y77 PolarHBondContact O-N 3.46Å; D74-Y77 WeakPolarHBondContact OD2-CE2 3.47Å; L75-Y77 VanDerWaalsContact C-N 3.3Å; Y77-S104 VanDerWaalsContact CD1-OG 3.27Å; Y77-S104 WeakPolarHBondContact CD1-OG 3.29Å; Y77-S104 PolarHBondContact O-N 3.26Å; Y77-E106 HydrophobicContact CD1-CB 4.06Å; Y77-E106 HydrophobicContact CE1-CB 3.68Å
78	I	82	Confident	71.9	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	119	169	-57.1	-173.9	0	0	0	108.2	I60 V73 L75 D80 I81	I60-I78 HydrophobicContact CD1-CD1 3.78Å; V73-I78 HydrophobicContact CG1-CD1 4.21Å; V73-I78 HydrophobicContact CG1-CG1 4.02Å; L75-I78 HydrophobicContact CD2-CD1 3.88Å; I78-D80 WeakPolarHBondContact CG2-O 3.47Å; I78-I81 HydrophobicContact CG2-CD1 4.04Å; I78-I81 HydrophobicContact CG2-CG1 3.62Å
79	E	77.1	Confident	71.1	Confident	58 Å²	58	35.9 Å²	35.9	27%	0.271	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-31.8	-177.5	-54.1	-179.5	164.7	0	0	112.3	Q102 S104 Q552	E79-Q102 HydrophobicContact CB-CG 4.49Å; E79-Q102 PolarHBondContact N-O 2.93Å; E79-Q102 PolarHBondContact OE2-NE2 2.85Å; E79-S104 WeakPolarHBondContact OE1-CB 3.35Å; E79-Q552 VanDerWaalsContact CB-NE2 3.28Å; E79-Q552 PolarHBondContact OE2-NE2 3.09Å
80	D	78	Confident	70.4	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	149.1	-179	-153	-25.7	0	0	0	111.3	I78 Q102 R551 Q552 L555	I78-D80 WeakPolarHBondContact CG2-O 3.47Å; D80-Q102 HydrophobicContact CB-CB 4.04Å; D80-Q102 PolarHBondContact O-N 3.23Å; D80-R551 VanDerWaalsContact OD1-CD 3.3Å; D80-R551 WeakPolarHBondContact OD1-CD 3.24Å; D80-R551 IonicContact OD1-CZ 2.69Å; D80-R551 IonicContact OD1-NE 2.78Å; D80-R551 PolarHBondContact OD1-NE 3.37Å; D80-R551 WeakPolarHBondContact OD2-CD 3.2Å; D80-R551 WeakPolarHBondContact OD2-CG 3.42Å; D80-R551 IonicContact OD2-NE 3.86Å; D80-Q552 HydrophobicContact CB-CG 4.11Å; D80-L555 HydrophobicContact CB-CD1 4.44Å; D80-L555 WeakPolarHBondContact OD1-CD1 3.33Å
81	I	83	Confident	69.4	Low	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	110	176.2	-55.7	-176.5	0	0	0	107.2	I78 I99 L101 K146 L149 L150 V153 F154 R551	I78-I81 HydrophobicContact CG2-CD1 4.04Å; I78-I81 HydrophobicContact CG2-CG1 3.62Å; I81-I99 HydrophobicContact CG2-CG2 4.28Å; I81-L101 HydrophobicContact CB-CD2 4.3Å; I81-L101 HydrophobicContact CD1-CD2 4.26Å; I81-L101 HydrophobicContact CG1-CD2 3.84Å; I81-L101 HydrophobicContact CG2-CD2 3.94Å; I81-K146 HydrophobicContact CG2-CG 4.49Å; I81-L149 HydrophobicContact CD1-CB 3.88Å; I81-L150 HydrophobicContact CB-CD2 3.87Å; I81-L150 HydrophobicContact CB-CG 4.29Å; I81-L150 HydrophobicContact CG2-CD2 4.41Å; I81-L150 HydrophobicContact CG2-CG 4.3Å; I81-V153 HydrophobicContact CD1-CG2 4.23Å; I81-F154 HydrophobicContact CD1-CE2 4.08Å; I81-F154 HydrophobicContact CG1-CE2 4.08Å; I81-R551 PolarHBondContact O-NH2 3.27Å
82	E	77	Confident	67.8	Low	36 Å²	36	48.3 Å²	48.3	17%	0.168	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	153.9	-176.8	178.4	165.3	-102.4	0	0	109.3	I99 R100 R551	E82-I99 CarbonylContact O-C 3.5Å; E82-I99 WeakPolarHBondContact O-CA 3.13Å; E82-R100 HydrophobicContact CB-CB 4.19Å; E82-R100 PolarHBondContact N-O 2.78Å; E82-R100 PolarHBondContact O-N 2.89Å; E82-R100 VanDerWaalsContact OE2-CD 3.24Å; E82-R100 WeakPolarHBondContact OE2-CD 3.39Å; E82-R100 IonicContact OE2-CZ 3.12Å; E82-R100 IonicContact OE2-NE 2.7Å; E82-R100 IonicContact OE2-NH1 2.84Å; E82-R100 PolarHBondContact OE2-NH1 2.7Å; E82-R551 IonicContact OE1-NE 3.91Å; E82-R551 IonicContact OE1-NH1 3.39Å
83	M	74.6	Confident	65.9	Low	48 Å²	48	53.6 Å²	53.6	24%	0.236	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	114.1	171.7	174.7	-168.5	98.3	0	0	106.3	T85 F98 K143 K146	M83-T85 HydrophobicContact CE-CG2 3.9Å; M83-F98 CarbonylContact C-O 3.54Å; M83-F98 VanDerWaalsContact CA-O 3.29Å; M83-F98 WeakPolarHBondContact CA-O 3.45Å; M83-K143 HydrophobicContact SD-CB 4.18Å; M83-K146 HydrophobicContact CB-CD 3.38Å; M83-K146 HydrophobicContact CG-CD 4.41Å; M83-K146 HydrophobicContact SD-CD 4.28Å
84	C	67	Low	64.2	Low	19 Å²	19	57.4 Å²	57.4	13%	0.128	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	135	-177.8	-60.9	0	0	0	0	109.3	S97 F98	C84-S97 WeakPolarHBondContact O-CA 3.49Å; C84-F98 HydrophobicContact CB-CD1 4.3Å; C84-F98 HydrophobicContact CB-CD2 3.87Å; C84-F98 HydrophobicContact CB-CE1 3.84Å; C84-F98 HydrophobicContact CB-CE2 3.36Å; C84-F98 HydrophobicContact CB-CG 4.33Å; C84-F98 HydrophobicContact CB-CZ 3.35Å; C84-F98 PolarHBondContact N-O 3.29Å; C84-F98 PolarHBondContact O-N 3.4Å; C84-F98 WeakPolarHBondContact SG-CE2 3.4Å
85	T	58.6	Low	62.5	Low	63 Å²	63	66.3 Å²	66.3	39%	0.387	35%	0.35	S	S	.	.			trans	-132.5	115.4	171.2	51.9	0	0	0	0	106.1	M83	M83-T85 HydrophobicContact CE-CG2 3.9Å
86	D	50.6	Low	61.4	Low	108 Å²	108	68 Å²	68	58%	0.578	36%	0.36	S	S	*	.	S	Bend	trans	70.6	135.2	176.2	-43.8	-33.6	0	0	0	116.8	D88	D86-D88 PolarHBondContact O-N 3.15Å
87	S	41.7	Very low	60.8	Low	112 Å²	112	66.9 Å²	66.9	78%	0.783	36%	0.357	S	S	*	.			trans	38.8	56.5	164.5	72.8	0	0	0	0	119.2
88	D	47	Very low	60.5	Low	40 Å²	40	63.2 Å²	63.2	21%	0.214	34%	0.343	C	S	.	.			trans	-82.1	120.8	148	-144.7	10.5	0	0	0	105	D86 L90 F91 R100	D86-D88 PolarHBondContact O-N 3.15Å; D88-L90 PolarHBondContact O-N 3.04Å; D88-F91 PolarHBondContact O-N 2.99Å; D88-R100 IonicContact OD2-NH1 3.68Å; D88-R100 PolarHBondContact OD2-NH1 2.86Å; D88-R100 IonicContact OD2-NH2 2.57Å
89	D	45.1	Very low	60.3	Low	91 Å²	91	63 Å²	63	49%	0.487	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-47.6	-20.1	-168.9	-57.9	-8.7	0	0	0	115.6	F91	D89-F91 PolarHBondContact O-N 3.36Å
90	L	49.9	Very low	60.3	Low	76 Å²	76	60.6 Å²	60.6	40%	0.398	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-63.4	-19.5	176.2	-67.5	167.1	0	0	0	114.2	D88	D88-L90 PolarHBondContact O-N 3.04Å
91	F	52.9	Low	60.5	Low	20 Å²	20	60.5 Å²	60.5	9%	0.088	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-138.8	38.1	-171.5	-58.5	-76.6	0	0	0	114.3	M44 W46 D88 D89 S93 M94 F98 F132	M44-F91 HydrophobicContact CE-CE1 3.71Å; M44-F91 HydrophobicContact CE-CZ 3.62Å; M44-F91 HydrophobicContact SD-CD1 4.35Å; M44-F91 HydrophobicContact SD-CE1 3.51Å; M44-F91 VanDerWaalsContact SD-CE1 3.51Å; M44-F91 HydrophobicContact SD-CZ 4.09Å; W46-F91 AromaticContact CH2-CE1 3.99Å; W46-F91 HydrophobicContact CH2-CE1 3.99Å; W46-F91 HydrophobicContact CH2-CZ 4.41Å; W46-F91 HydrophobicContact CZ2-CD1 4.15Å; W46-F91 AromaticContact CZ2-CE1 3.6Å; W46-F91 HydrophobicContact CZ2-CE1 3.6Å; W46-F91 HydrophobicContact CZ2-CZ 4.44Å; D88-F91 PolarHBondContact O-N 2.99Å; D89-F91 PolarHBondContact O-N 3.36Å; F91-S93 PolarHBondContact O-N 2.86Å; F91-M94 PolarHBondContact O-N 3.34Å; F91-F98 AromaticContact CD2-CE1 3.69Å; F91-F98 HydrophobicContact CD2-CE1 3.69Å; F91-F98 AromaticContact CD2-CZ 3.72Å; F91-F98 HydrophobicContact CD2-CZ 3.72Å; F91-F98 HydrophobicContact CE2-CE1 4.02Å; F91-F98 HydrophobicContact CE2-CE2 4.39Å; F91-F98 AromaticContact CE2-CZ 3.77Å; F91-F98 HydrophobicContact CE2-CZ 3.77Å; F91-F98 HydrophobicContact CG-CE1 4.4Å; F91-F132 HydrophobicContact CE2-CD1 4.04Å; F91-F132 AromaticContact CE2-CE1 3.79Å; F91-F132 HydrophobicContact CE2-CE1 3.79Å; F91-F132 HydrophobicContact CE2-CZ 4.35Å; F91-F132 HydrophobicContact CZ-CD1 4.15Å; F91-F132 HydrophobicContact CZ-CE1 4.19Å; F91-F132 HydrophobicContact CZ-CG 4.49Å
92	E	44.5	Very low	60.1	Low	177 Å²	177	61.5 Å²	61.5	83%	0.827	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-12.2	177.4	-67.9	-172.2	128.8	0	0	115.6
93	S	42.2	Very low	59.9	Low	113 Å²	113	59.8 Å²	59.8	79%	0.79	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	4.6	-178.7	54.6	0	0	0	0	115.3	F91	F91-S93 PolarHBondContact O-N 2.86Å
94	M	49	Very low	59.6	Low	81 Å²	81	58.5 Å²	58.5	40%	0.399	32%	0.322	S	S	.	.			trans	-134	107.6	-177.9	-64.3	-165.5	177.5	0	0	113.5	W46 F91 T96	W46-M94 HydrophobicContact CZ2-SD 3.97Å; F91-M94 PolarHBondContact O-N 3.34Å; M94-T96 PolarHBondContact O-N 3.4Å
95	E	49	Very low	59.2	Low	199 Å²	199	60.2 Å²	60.2	93%	0.93	33%	0.334	S	S	*	.			trans	-72.5	47.8	173.1	-58.7	-177.9	136.4	0	0	112.6
96	T	60.3	Low	59.1	Low	37 Å²	37	60.7 Å²	60.7	23%	0.227	33%	0.332	C	S	.	.			trans	-135.3	127	-168	55.3	0	0	0	0	112.6	M94 L134	M94-T96 PolarHBondContact O-N 3.4Å; T96-L134 WeakPolarHBondContact OG1-CD1 3.34Å
97	S	67.4	Low	59.4	Low	28 Å²	28	55.6 Å²	55.6	20%	0.196	31%	0.305	C	S	.	.			trans	-69	144.3	177.8	-41.8	0	0	0	0	112.1	C84 L134 L142	C84-S97 WeakPolarHBondContact O-CA 3.49Å; S97-L134 WeakPolarHBondContact O-CD1 3.37Å; S97-L142 WeakPolarHBondContact O-CD1 3.48Å
98	F	73	Confident	60.3	Low	14 Å²	14	51.3 Å²	51.3	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	150.8	176.8	55.7	-96.2	0	0	0	112.6	M83 C84 F91 F132 L134	M83-F98 CarbonylContact C-O 3.54Å; M83-F98 VanDerWaalsContact CA-O 3.29Å; M83-F98 WeakPolarHBondContact CA-O 3.45Å; C84-F98 HydrophobicContact CB-CD1 4.3Å; C84-F98 HydrophobicContact CB-CD2 3.87Å; C84-F98 HydrophobicContact CB-CE1 3.84Å; C84-F98 HydrophobicContact CB-CE2 3.36Å; C84-F98 HydrophobicContact CB-CG 4.33Å; C84-F98 HydrophobicContact CB-CZ 3.35Å; C84-F98 PolarHBondContact N-O 3.29Å; C84-F98 PolarHBondContact O-N 3.4Å; C84-F98 WeakPolarHBondContact SG-CE2 3.4Å; F91-F98 AromaticContact CD2-CE1 3.69Å; F91-F98 HydrophobicContact CD2-CE1 3.69Å; F91-F98 AromaticContact CD2-CZ 3.72Å; F91-F98 HydrophobicContact CD2-CZ 3.72Å; F91-F98 HydrophobicContact CE2-CE1 4.02Å; F91-F98 HydrophobicContact CE2-CE2 4.39Å; F91-F98 AromaticContact CE2-CZ 3.77Å; F91-F98 HydrophobicContact CE2-CZ 3.77Å; F91-F98 HydrophobicContact CG-CE1 4.4Å; F98-F132 AromaticContact CD2-CD1 3.65Å; F98-F132 HydrophobicContact CD2-CD1 3.65Å; F98-F132 HydrophobicContact CD2-CE1 4.23Å; F98-F132 AromaticContact CE2-CD1 3.54Å; F98-F132 HydrophobicContact CE2-CD1 3.54Å; F98-F132 AromaticContact CE2-CE1 3.64Å; F98-F132 HydrophobicContact CE2-CE1 3.64Å; F98-F132 HydrophobicContact CZ-CD1 4.34Å; F98-F132 HydrophobicContact CZ-CE1 4.28Å; F98-L134 HydrophobicContact CB-CD1 3.95Å
99	I	78.4	Confident	61.1	Low	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	135.6	164.3	-64.9	165.4	0	0	0	108.4	I81 E82 L101 L133 L142 W145 K146	I81-I99 HydrophobicContact CG2-CG2 4.28Å; E82-I99 CarbonylContact O-C 3.5Å; E82-I99 WeakPolarHBondContact O-CA 3.13Å; I99-L101 HydrophobicContact CG2-CD2 3.79Å; I99-L101 HydrophobicContact CG2-CG 4.2Å; I99-L133 HydrophobicContact CB-CB 4.19Å; I99-L133 PolarHBondContact N-O 3.42Å; I99-L133 PolarHBondContact O-N 2.96Å; I99-L142 HydrophobicContact CB-CD2 4.42Å; I99-L142 HydrophobicContact CD1-CD2 3.9Å; I99-L142 WeakPolarHBondContact CD1-O 3.34Å; I99-L142 HydrophobicContact CG1-CB 4.5Å; I99-L142 HydrophobicContact CG1-CD2 3.74Å; I99-W145 HydrophobicContact CD1-CB 3.79Å; I99-K146 HydrophobicContact CD1-CB 4.44Å; I99-K146 HydrophobicContact CG1-CB 4.46Å
100	R	78.1	Confident	61.6	Low	7 Å²	7	48.7 Å²	48.7	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121	171.1	178.2	-155.1	-133.8	121.7	25.2	108.6	E82 D88 I130 F132 R548	E82-R100 HydrophobicContact CB-CB 4.19Å; E82-R100 PolarHBondContact N-O 2.78Å; E82-R100 PolarHBondContact O-N 2.89Å; E82-R100 VanDerWaalsContact OE2-CD 3.24Å; E82-R100 WeakPolarHBondContact OE2-CD 3.39Å; E82-R100 IonicContact OE2-CZ 3.12Å; E82-R100 IonicContact OE2-NE 2.7Å; E82-R100 IonicContact OE2-NH1 2.84Å; E82-R100 PolarHBondContact OE2-NH1 2.7Å; D88-R100 IonicContact OD2-NH1 3.68Å; D88-R100 PolarHBondContact OD2-NH1 2.86Å; D88-R100 IonicContact OD2-NH2 2.57Å; R100-I130 HydrophobicContact CG-CG2 3.56Å; R100-F132 HydrophobicContact CG-CE1 4.32Å; R100-R548 VanDerWaalsContact CZ-NH2 3.31Å; R100-R548 VanDerWaalsContact NH2-NH2 3.18Å
101	L	80.9	Confident	61.8	Low	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.8	170.4	-53.9	178.1	0	0	0	109	I60 I81 I99 V103 I130 V131 L133	I60-L101 HydrophobicContact CD1-CD1 4.05Å; I81-L101 HydrophobicContact CB-CD2 4.3Å; I81-L101 HydrophobicContact CD1-CD2 4.26Å; I81-L101 HydrophobicContact CG1-CD2 3.84Å; I81-L101 HydrophobicContact CG2-CD2 3.94Å; I99-L101 HydrophobicContact CG2-CD2 3.79Å; I99-L101 HydrophobicContact CG2-CG 4.2Å; L101-V103 HydrophobicContact CB-CG2 4.38Å; L101-I130 WeakPolarHBondContact O-CA 3.35Å; L101-V131 HydrophobicContact CB-CB 4.36Å; L101-V131 PolarHBondContact N-O 2.9Å; L101-V131 PolarHBondContact O-N 3.38Å; L101-L133 HydrophobicContact CD1-CD1 3.79Å; L101-L133 HydrophobicContact CG-CD1 4.35Å
102	Q	75.3	Confident	61.3	Low	22 Å²	22	50 Å²	50	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.8	167.5	-176.9	168.2	-49.2	0	0	109.1	E79 D80	E79-Q102 HydrophobicContact CB-CG 4.49Å; E79-Q102 PolarHBondContact N-O 2.93Å; E79-Q102 PolarHBondContact OE2-NE2 2.85Å; D80-Q102 HydrophobicContact CB-CB 4.04Å; D80-Q102 PolarHBondContact O-N 3.23Å
103	V	72.1	Confident	61	Low	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.6	-178.8	-167.5	0	0	0	0	109.4	V73 L101 L108 S128 S129 V131	V73-V103 HydrophobicContact CG1-CG1 3.85Å; V73-V103 HydrophobicContact CG1-CG2 3.91Å; V73-V103 HydrophobicContact CG2-CG2 4.48Å; L101-V103 HydrophobicContact CB-CG2 4.38Å; V103-L108 HydrophobicContact CG1-CB 4.45Å; V103-S128 CarbonylContact O-C 3.48Å; V103-S129 PolarHBondContact N-O 3.05Å; V103-S129 PolarHBondContact O-N 2.99Å; V103-V131 HydrophobicContact CG2-CG2 4.31Å
104	S	68.1	Low	60.5	Low	20 Å²	20	46.2 Å²	46.2	14%	0.14	25%	0.251	C	S	.	.			trans	-68.6	149.9	171.9	77	0	0	0	0	111	Y77 E79 E106 G107	Y77-S104 VanDerWaalsContact CD1-OG 3.27Å; Y77-S104 WeakPolarHBondContact CD1-OG 3.29Å; Y77-S104 PolarHBondContact O-N 3.26Å; E79-S104 WeakPolarHBondContact OE1-CB 3.35Å; S104-E106 PolarHBondContact O-N 2.89Å; S104-G107 PolarHBondContact O-N 2.86Å
105	S	58.7	Low	59.7	Low	55 Å²	55	45.7 Å²	45.7	39%	0.385	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	12.2	-178.8	62.3	0	0	0	0	114.9	K122	S105-K122 PolarHBondContact O-NZ 3.38Å
106	E	58.1	Low	58.7	Low	74 Å²	74	39.8 Å²	39.8	35%	0.346	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-12.5	169.3	-57.3	-102.7	92.9	0	0	112.7	Y77 S104 F109 K122 K1873	Y77-E106 HydrophobicContact CD1-CB 4.06Å; Y77-E106 HydrophobicContact CE1-CB 3.68Å; S104-E106 PolarHBondContact O-N 2.89Å; E106-F109 WeakPolarHBondContact O-CZ 3.44Å; E106-K122 IonicContact OE1-NZ 2.64Å; E106-K122 PolarHBondContact OE1-NZ 3.35Å; E106-K1873 IonicContact OE1-NZ 3.55Å; E106-K1873 PolarHBondContact OE1-NZ 3.4Å; E106-K1873 IonicContact OE2-NZ 3.2Å; E106-K1873 PolarHBondContact OE2-NZ 3.32Å
107	G	56.9	Low	57.3	Low	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-106.7	-7.5	-168.6	0	0	0	0	0	117.7	V73 D74 S104 F109	V73-G107 WeakPolarHBondContact CA-O 3.47Å; D74-G107 PolarHBondContact N-O 3.49Å; S104-G107 PolarHBondContact O-N 2.86Å; G107-F109 WeakPolarHBondContact O-CE2 3.22Å
108	L	59.9	Low	55.5	Low	22 Å²	22	42.7 Å²	42.7	12%	0.115	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.4	179.8	-170.9	152.5	0	0	0	110.2	Y34 T71 V73 V103 E110 Y125 V131	Y34-L108 HydrophobicContact CE1-CD1 4.38Å; T71-L108 HydrophobicContact CG2-CD2 4.2Å; T71-L108 HydrophobicContact CG2-CG 4.3Å; V73-L108 HydrophobicContact CG2-CB 4.38Å; V73-L108 HydrophobicContact CG2-CD1 4.09Å; V73-L108 HydrophobicContact CG2-CG 4.09Å; V103-L108 HydrophobicContact CG1-CB 4.45Å; L108-E110 HydrophobicContact CD2-CG 4.3Å; L108-Y125 HydrophobicContact CD2-CD2 3.89Å; L108-Y125 HydrophobicContact CD2-CE2 3.78Å; L108-V131 HydrophobicContact CD1-CG2 4.28Å
109	F	62.7	Low	53.5	Low	52 Å²	52	49.9 Å²	49.9	23%	0.228	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.8	-179.2	-49.1	-91.6	0	0	0	110.5	T71 T72 D74 E106 G107 L120	T71-F109 WeakPolarHBondContact CA-O 3.36Å; T72-F109 PolarHBondContact N-O 2.87Å; T72-F109 PolarHBondContact O-N 3.49Å; D74-F109 HydrophobicContact CB-CE2 4.17Å; E106-F109 WeakPolarHBondContact O-CZ 3.44Å; G107-F109 WeakPolarHBondContact O-CE2 3.22Å; F109-L120 HydrophobicContact CD1-CD1 4.23Å
110	E	55.5	Low	51.3	Low	25 Å²	25	54.7 Å²	54.7	12%	0.117	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.6	170	-69.5	-173.8	-177.8	0	0	110.5	V69 T71 L108 R112 Y125	V69-E110 HydrophobicContact CG1-CB 4.1Å; V69-E110 HydrophobicContact CG1-CG 4.35Å; T71-E110 HydrophobicContact CG2-CG 4.27Å; L108-E110 HydrophobicContact CD2-CG 4.3Å; E110-R112 IonicContact OE2-CZ 3.81Å; E110-R112 IonicContact OE2-NE 3.68Å; E110-R112 IonicContact OE2-NH2 3.9Å; E110-R112 PolarHBondContact OE2-NH2 2.86Å; E110-Y125 VanDerWaalsContact OE1-CE2 3.26Å; E110-Y125 WeakPolarHBondContact OE1-CE2 3.43Å; E110-Y125 PolarHBondContact OE1-OH 3.03Å
111	S	54.2	Low	49.2	Very low	22 Å²	22	59.9 Å²	59.9	15%	0.154	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	114.3	172	58.3	0	0	0	0	111.1	V69 V70	V69-S111 WeakPolarHBondContact CA-O 3.26Å; V69-S111 WeakPolarHBondContact CG1-O 3.44Å; V70-S111 WeakPolarHBondContact CB-OG 3.46Å; V70-S111 PolarHBondContact N-OG 3.16Å; V70-S111 PolarHBondContact O-N 3.15Å; V70-S111 PolarHBondContact O-OG 3.41Å
112	R	43	Very low	47.2	Very low	100 Å²	100	65.6 Å²	65.6	38%	0.377	37%	0.365	S	S	.	.			trans	-105.2	129.9	174.9	-65.4	-173	-174.5	-170.1	1.2	110	V69 E110 T114	V69-R112 HydrophobicContact CG2-CG 4Å; E110-R112 IonicContact OE2-CZ 3.81Å; E110-R112 IonicContact OE2-NE 3.68Å; E110-R112 IonicContact OE2-NH2 3.9Å; E110-R112 PolarHBondContact OE2-NH2 2.86Å; R112-T114 PolarHBondContact O-N 3.49Å
113	A	39.2	Very low	45.1	Very low	80 Å²	80	66.5 Å²	66.5	66%	0.661	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	4.2	-169.4	0	0	0	0	0	116.3	L183	A113-L183 HydrophobicContact CB-CD2 4.26Å
114	T	30.5	Very low	43.6	Very low	132 Å²	132	70.8 Å²	70.8	81%	0.81	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	5.7	-172.3	51.4	0	0	0	0	114.6	R112	R112-T114 PolarHBondContact O-N 3.49Å
115	M	31.9	Very low	42.3	Very low	70 Å²	70	72.1 Å²	72.1	35%	0.345	40%	0.404	S	S	.	.	S	Bend	trans	-122.6	132.6	178.1	-68.9	-158.8	-63	0	0	113.1	K119 H121	M115-K119 WeakPolarHBondContact CE-O 3.43Å; M115-K119 HydrophobicContact SD-CB 4.32Å; M115-H121 HydrophobicContact CE-CB 4.49Å; M115-H121 WeakPolarHBondContact CE-CD2 3.42Å
116	A	29.7	Very low	41.2	Very low	74 Å²	74	74.6 Å²	74.6	61%	0.612	41%	0.414	S	S	*	.			trans	-59.3	144.5	166.3	0	0	0	0	0	110.7
117	Y	30.2	Very low	40.4	Very low	55 Å²	55	76.5 Å²	76.5	22%	0.216	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	143.4	174.2	-104	-119.2	0	0	0	110.6	L176 Y180 C204 A207 A208	Y117-L176 HydrophobicContact CE1-CD2 3.56Å; Y117-L176 WeakPolarHBondContact OH-CD2 3.41Å; Y117-Y180 HydrophobicContact CD2-CE2 4.49Å; Y117-Y180 WeakPolarHBondContact CD2-OH 3.4Å; Y117-Y180 AromaticContact CE2-CE2 3.65Å; Y117-Y180 HydrophobicContact CE2-CE2 3.65Å; Y117-Y180 AromaticContact CE2-CZ 3.89Å; Y117-Y180 VanDerWaalsContact CE2-OH 3.24Å; Y117-Y180 WeakPolarHBondContact CE2-OH 3.43Å; Y117-C204 HydrophobicContact CD2-CB 4.47Å; Y117-A207 VanDerWaalsContact CB-CB 3.46Å; Y117-A207 WeakPolarHBondContact O-CB 3.32Å; Y117-A208 HydrophobicContact CD1-CB 3.84Å; Y117-A208 HydrophobicContact CE1-CB 4Å
118	G	30.3	Very low	40	Very low	72 Å²	72	79 Å²	79	74%	0.742	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	115.3	-21.1	-172.7	0	0	0	0	0	114.5
119	K	29.4	Very low	40.1	Very low	164 Å²	164	78.3 Å²	78.3	71%	0.713	44%	0.437	S	S	*	.			trans	-121.2	69.3	169.3	-71.5	-177.8	-178.5	172.8	0	111.9	M115 H121	M115-K119 WeakPolarHBondContact CE-O 3.43Å; M115-K119 HydrophobicContact SD-CB 4.32Å; K119-H121 PolarHBondContact O-N 3.46Å
120	L	33.9	Very low	40.2	Very low	101 Å²	101	76.6 Å²	76.6	53%	0.529	43%	0.43	S	S	.	.			trans	-61.6	119.7	161.5	-84.2	162.5	0	0	0	108.9	F109 K122	F109-L120 HydrophobicContact CD1-CD1 4.23Å; L120-K122 PolarHBondContact O-N 2.97Å; L120-K122 VanDerWaalsContact O-N 3.09Å
121	H	33.3	Very low	41.1	Very low	116 Å²	116	75.4 Å²	75.4	54%	0.537	42%	0.424	S	S	.	.			trans	-70.5	105.4	172.1	-95.9	-51.9	0	0	0	109.5	M115 K119 G123	M115-H121 HydrophobicContact CE-CB 4.49Å; M115-H121 WeakPolarHBondContact CE-CD2 3.42Å; K119-H121 PolarHBondContact O-N 3.46Å; H121-G123 PolarHBondContact O-N 3.38Å
122	K	38.4	Very low	42	Very low	121 Å²	121	74.4 Å²	74.4	53%	0.526	42%	0.417	S	S	.	.			trans	-71.7	10	154.4	-92.8	-169.6	167.6	-117.3	0	112.9	S105 E106 L120	S105-K122 PolarHBondContact O-NZ 3.38Å; E106-K122 IonicContact OE1-NZ 2.64Å; E106-K122 PolarHBondContact OE1-NZ 3.35Å; L120-K122 PolarHBondContact O-N 2.97Å; L120-K122 VanDerWaalsContact O-N 3.09Å
123	G	31.8	Very low	43.6	Very low	42 Å²	42	69.6 Å²	69.6	43%	0.433	40%	0.399	S	S	.	.			trans	-99.5	104.2	-171.1	0	0	0	0	0	112.5	H121	H121-G123 PolarHBondContact O-N 3.38Å
124	I	40.1	Very low	45.1	Very low	90 Å²	90	66.3 Å²	66.3	46%	0.462	37%	0.37	S	S	.	.	S	Bend	trans	172.9	-40.7	146.1	-91.3	153.7	0	0	0	107.9	D126	I124-D126 PolarHBondContact O-N 3.22Å
125	Y	41.5	Very low	46.9	Very low	47 Å²	47	61.1 Å²	61.1	18%	0.184	34%	0.338	C	S	.	.			trans	-97.2	72.5	179.2	-37.3	-81.1	0	0	0	111.6	Y34 L108 E110 S129	Y34-Y125 AromaticContact CD1-CE1 3.77Å; Y34-Y125 HydrophobicContact CD1-CE1 3.77Å; Y34-Y125 HydrophobicContact CE1-CE1 4.18Å; Y34-Y125 AromaticContact CG-CE1 3.94Å; Y34-Y125 HydrophobicContact CG-CE1 3.94Å; L108-Y125 HydrophobicContact CD2-CD2 3.89Å; L108-Y125 HydrophobicContact CD2-CE2 3.78Å; E110-Y125 VanDerWaalsContact OE1-CE2 3.26Å; E110-Y125 WeakPolarHBondContact OE1-CE2 3.43Å; E110-Y125 PolarHBondContact OE1-OH 3.03Å; Y125-S129 WeakPolarHBondContact CB-OG 3.43Å
126	D	34	Very low	48.2	Very low	108 Å²	108	65.2 Å²	65.2	58%	0.578	35%	0.354	S	S	*	.			trans	-67.8	149.4	154.4	-98.5	-56.2	0	0	0	109.3	I124	I124-D126 PolarHBondContact O-N 3.22Å
127	H	41.4	Very low	49.7	Very low	114 Å²	114	68.7 Å²	68.7	53%	0.528	36%	0.362	S	S	.	.	S	Bend	trans	69.4	166.6	-165.5	-44.8	-69.8	0	0	0	115.3	S129	H127-S129 PolarHBondContact O-N 3.02Å; H127-S129 VanDerWaalsContact O-N 3.14Å
128	S	50	Low	51.7	Low	51 Å²	51	69.1 Å²	69.1	36%	0.357	37%	0.368	S	S	.	.			trans	-62.6	111.5	-175	50.2	0	0	0	0	110.9	V103 I130	V103-S128 CarbonylContact O-C 3.48Å; S128-I130 PolarHBondContact O-N 3.48Å
129	S	60.6	Low	53.8	Low	9 Å²	9	69.3 Å²	69.3	6%	0.063	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	114.4	-171.8	-39.8	0	0	0	0	110.3	V103 Y125 H127	V103-S129 PolarHBondContact N-O 3.05Å; V103-S129 PolarHBondContact O-N 2.99Å; Y125-S129 WeakPolarHBondContact CB-OG 3.43Å; H127-S129 PolarHBondContact O-N 3.02Å; H127-S129 VanDerWaalsContact O-N 3.14Å
130	I	66.2	Low	56.2	Low	16 Å²	16	68.7 Å²	68.7	8%	0.082	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	115.8	173.8	-51.1	177.1	0	0	0	107.9	R100 L101 S128 F132	R100-I130 HydrophobicContact CG-CG2 3.56Å; L101-I130 WeakPolarHBondContact O-CA 3.35Å; S128-I130 PolarHBondContact O-N 3.48Å; I130-F132 HydrophobicContact CB-CE2 3.98Å; I130-F132 HydrophobicContact CB-CZ 4.45Å; I130-F132 HydrophobicContact CG2-CD2 4.07Å; I130-F132 HydrophobicContact CG2-CE1 4.27Å; I130-F132 HydrophobicContact CG2-CE2 3.39Å; I130-F132 HydrophobicContact CG2-CZ 3.53Å
131	V	73.3	Confident	58.4	Low	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.9	178.2	-177	0	0	0	0	108.5	L32 Y34 W62 L101 V103 L108	L32-V131 HydrophobicContact CD1-CG1 3.48Å; L32-V131 VanDerWaalsContact CD1-CG1 3.48Å; Y34-V131 HydrophobicContact CD1-CG2 4.31Å; Y34-V131 HydrophobicContact CE1-CG2 4.28Å; W62-V131 HydrophobicContact CH2-CG1 4.2Å; W62-V131 HydrophobicContact CZ2-CG1 4.46Å; L101-V131 HydrophobicContact CB-CB 4.36Å; L101-V131 PolarHBondContact N-O 2.9Å; L101-V131 PolarHBondContact O-N 3.38Å; V103-V131 HydrophobicContact CG2-CG2 4.31Å; L108-V131 HydrophobicContact CD1-CG2 4.28Å
132	F	73.2	Confident	60.6	Low	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.5	178	-62.8	-96.8	0	0	0	109.6	L32 C33 Q35 F91 F98 R100 I130	L32-F132 WeakPolarHBondContact CA-O 3.41Å; C33-F132 HydrophobicContact CB-CB 4.29Å; C33-F132 PolarHBondContact N-O 3.21Å; C33-F132 PolarHBondContact O-N 2.97Å; Q35-F132 HydrophobicContact CB-CE2 3.82Å; F91-F132 HydrophobicContact CE2-CD1 4.04Å; F91-F132 AromaticContact CE2-CE1 3.79Å; F91-F132 HydrophobicContact CE2-CE1 3.79Å; F91-F132 HydrophobicContact CE2-CZ 4.35Å; F91-F132 HydrophobicContact CZ-CD1 4.15Å; F91-F132 HydrophobicContact CZ-CE1 4.19Å; F91-F132 HydrophobicContact CZ-CG 4.49Å; F98-F132 AromaticContact CD2-CD1 3.65Å; F98-F132 HydrophobicContact CD2-CD1 3.65Å; F98-F132 HydrophobicContact CD2-CE1 4.23Å; F98-F132 AromaticContact CE2-CD1 3.54Å; F98-F132 HydrophobicContact CE2-CD1 3.54Å; F98-F132 AromaticContact CE2-CE1 3.64Å; F98-F132 HydrophobicContact CE2-CE1 3.64Å; F98-F132 HydrophobicContact CZ-CD1 4.34Å; F98-F132 HydrophobicContact CZ-CE1 4.28Å; R100-F132 HydrophobicContact CG-CE1 4.32Å; I130-F132 HydrophobicContact CB-CE2 3.98Å; I130-F132 HydrophobicContact CB-CZ 4.45Å; I130-F132 HydrophobicContact CG2-CD2 4.07Å; I130-F132 HydrophobicContact CG2-CE1 4.27Å; I130-F132 HydrophobicContact CG2-CE2 3.39Å; I130-F132 HydrophobicContact CG2-CZ 3.53Å
133	L	76.7	Confident	62.7	Low	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	105.2	179.5	-70.6	176.5	0	0	0	108.9	F30 L32 V51 I99 L101 L142	F30-L133 HydrophobicContact CB-CD2 4.03Å; F30-L133 HydrophobicContact CD1-CB 3.73Å; F30-L133 HydrophobicContact CD1-CD2 4.41Å; F30-L133 HydrophobicContact CE1-CB 4.19Å; F30-L133 HydrophobicContact CG-CB 4.35Å; F30-L133 HydrophobicContact CG-CD2 4.2Å; L32-L133 HydrophobicContact CD1-CD2 3.65Å; V51-L133 HydrophobicContact CG2-CD2 4.02Å; I99-L133 HydrophobicContact CB-CB 4.19Å; I99-L133 PolarHBondContact N-O 3.42Å; I99-L133 PolarHBondContact O-N 2.96Å; L101-L133 HydrophobicContact CD1-CD1 3.79Å; L101-L133 HydrophobicContact CG-CD1 4.35Å; L133-L142 WeakPolarHBondContact O-CD2 3.5Å
134	L	71.3	Confident	65.3	Low	11 Å²	11	59.8 Å²	59.8	6%	0.058	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.4	-176.7	-176.2	78.5	0	0	0	110.6	F30 S31 W46 T96 S97 F98	F30-L134 CarbonylContact C-O 3.56Å; F30-L134 WeakPolarHBondContact CA-O 3.48Å; S31-L134 PolarHBondContact N-O 2.57Å; S31-L134 WeakPolarHBondContact O-CB 3.49Å; S31-L134 PolarHBondContact O-N 3.46Å; W46-L134 HydrophobicContact CE3-CB 4.4Å; W46-L134 HydrophobicContact CE3-CD2 4.08Å; W46-L134 HydrophobicContact CH2-CB 4.29Å; W46-L134 HydrophobicContact CH2-CD2 4.01Å; W46-L134 HydrophobicContact CZ3-CB 3.69Å; W46-L134 HydrophobicContact CZ3-CD2 3.8Å; W46-L134 HydrophobicContact CZ3-CG 4.28Å; T96-L134 WeakPolarHBondContact OG1-CD1 3.34Å; S97-L134 WeakPolarHBondContact O-CD1 3.37Å; F98-L134 HydrophobicContact CB-CD1 3.95Å
135	V	67.4	Low	67.5	Low	23 Å²	23	55.5 Å²	55.5	14%	0.139	28%	0.284	C	S	.	.			trans	-111.1	118.1	163.9	-179	0	0	0	0	107	F30 D137 N138 L142	F30-V135 HydrophobicContact CD1-CG2 3.44Å; F30-V135 VanDerWaalsContact CD1-CG2 3.44Å; F30-V135 HydrophobicContact CE1-CG2 3.4Å; F30-V135 HydrophobicContact CG-CG2 4.22Å; F30-V135 HydrophobicContact CZ-CG2 4.15Å; V135-D137 VanDerWaalsContact C-N 3.35Å; V135-D137 PolarHBondContact O-N 2.8Å; V135-N138 HydrophobicContact CG1-CB 4.31Å; V135-L142 HydrophobicContact CB-CD1 3.86Å; V135-L142 HydrophobicContact CB-CD2 4.21Å; V135-L142 HydrophobicContact CB-CG 3.8Å; V135-L142 HydrophobicContact CG2-CD1 4.39Å; V135-L142 HydrophobicContact CG2-CD2 3.85Å; V135-L142 HydrophobicContact CG2-CG 3.79Å
136	K	58.8	Low	69.5	Low	155 Å²	155	54.9 Å²	54.9	67%	0.674	28%	0.282	S	S	*	.	S	Bend	trans	-70.7	-30.8	-170.6	-170	172.3	-178.3	175.6	0	113.5
137	D	62.2	Low	71.9	Confident	147 Å²	147	52.6 Å²	52.6	79%	0.786	27%	0.27	S	S	*	.	S	Bend	trans	-123.4	1	-162.9	-49.3	-66.9	0	0	0	114.6	V135	V135-D137 VanDerWaalsContact C-N 3.35Å; V135-D137 PolarHBondContact O-N 2.8Å
138	N	72.8	Confident	73.9	Confident	64 Å²	64	48.5 Å²	48.5	34%	0.342	25%	0.252	S	S	.	.			trans	-151	104.2	177.6	-167.8	-14.7	0	0	0	114.5	V135 E140 T141	V135-N138 HydrophobicContact CG1-CB 4.31Å; N138-E140 WeakPolarHBondContact OD1-CA 3.48Å; N138-E140 WeakPolarHBondContact OD1-CB 3.16Å; N138-E140 PolarHBondContact OD1-N 2.9Å; N138-T141 PolarHBondContact ND2-OG1 3.2Å; N138-T141 VanDerWaalsContact ND2-OG1 3.15Å; N138-T141 PolarHBondContact OD1-N 2.95Å
139	P	74.6	Confident	75.6	Confident	76 Å²	76	46 Å²	46	49%	0.494	24%	0.235	S	C	.	.	H	α-helix	trans	-76.3	-18.3	175.3	31.5	-34.9	0	0	0	114.3	L142 K143	P139-L142 PolarHBondContact O-N 2.91Å; P139-K143 PolarHBondContact O-N 3.02Å; P139-K143 VanDerWaalsContact O-N 3.07Å
140	E	79.5	Confident	76.6	Confident	152 Å²	152	45.9 Å²	45.9	71%	0.71	23%	0.233	S	C	*	.	H	α-helix	trans	-70.3	-38.7	175.7	-56.7	-161.3	137.4	0	0	111.2	N138 K143 L144	N138-E140 WeakPolarHBondContact OD1-CA 3.48Å; N138-E140 WeakPolarHBondContact OD1-CB 3.16Å; N138-E140 PolarHBondContact OD1-N 2.9Å; E140-K143 PolarHBondContact O-N 3.09Å; E140-L144 WeakPolarHBondContact O-CB 3.49Å; E140-L144 PolarHBondContact O-N 3.22Å
141	T	80	Confident	77.2	Confident	25 Å²	25	52.2 Å²	52.2	15%	0.153	26%	0.256	C	S	.	.	H	α-helix	trans	-58.9	-49.5	171.7	-59.5	0	0	0	0	111	D28 N138 K143 L144 W145	D28-T141 WeakPolarHBondContact OD2-CG2 3.18Å; N138-T141 PolarHBondContact ND2-OG1 3.2Å; N138-T141 VanDerWaalsContact ND2-OG1 3.15Å; N138-T141 PolarHBondContact OD1-N 2.95Å; T141-K143 VanDerWaalsContact C-N 3.3Å; T141-K143 PolarHBondContact O-N 3.32Å; T141-L144 PolarHBondContact O-N 3.4Å; T141-W145 WeakPolarHBondContact O-CB 3.31Å; T141-W145 VanDerWaalsContact O-CD1 3.31Å; T141-W145 PolarHBondContact O-N 3.42Å
142	L	79.9	Confident	77.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56	-44.3	176.9	-77.3	160.7	0	0	0	112.1	F30 S97 I99 L133 V135 P139 W145 K146	F30-L142 HydrophobicContact CD1-CD2 4.47Å; F30-L142 HydrophobicContact CE1-CD2 3.97Å; S97-L142 WeakPolarHBondContact O-CD1 3.48Å; I99-L142 HydrophobicContact CB-CD2 4.42Å; I99-L142 HydrophobicContact CD1-CD2 3.9Å; I99-L142 WeakPolarHBondContact CD1-O 3.34Å; I99-L142 HydrophobicContact CG1-CB 4.5Å; I99-L142 HydrophobicContact CG1-CD2 3.74Å; L133-L142 WeakPolarHBondContact O-CD2 3.5Å; V135-L142 HydrophobicContact CB-CD1 3.86Å; V135-L142 HydrophobicContact CB-CD2 4.21Å; V135-L142 HydrophobicContact CB-CG 3.8Å; V135-L142 HydrophobicContact CG2-CD1 4.39Å; V135-L142 HydrophobicContact CG2-CD2 3.85Å; V135-L142 HydrophobicContact CG2-CG 3.79Å; P139-L142 PolarHBondContact O-N 2.91Å; L142-W145 PolarHBondContact O-N 3.03Å; L142-K146 WeakPolarHBondContact O-CB 3.32Å; L142-K146 PolarHBondContact O-N 3.13Å
143	K	82.3	Confident	77.9	Confident	77 Å²	77	52.8 Å²	52.8	34%	0.335	26%	0.259	S	S	.	.	H	α-helix	trans	-65.2	-44.6	177.5	-174.8	-175.9	171.2	-165	0	112.2	M83 P139 E140 T141 W145 K146 D147 L1218	M83-K143 HydrophobicContact SD-CB 4.18Å; P139-K143 PolarHBondContact O-N 3.02Å; P139-K143 VanDerWaalsContact O-N 3.07Å; E140-K143 PolarHBondContact O-N 3.09Å; T141-K143 VanDerWaalsContact C-N 3.3Å; T141-K143 PolarHBondContact O-N 3.32Å; K143-W145 VanDerWaalsContact C-N 3.34Å; K143-W145 PolarHBondContact O-N 3.07Å; K143-K146 PolarHBondContact O-N 3.49Å; K143-D147 WeakPolarHBondContact O-CB 3.44Å; K143-D147 PolarHBondContact O-N 2.83Å; K143-L1218 VanDerWaalsContact NZ-CD1 3.27Å
144	L	84.9	Confident	78	Confident	90 Å²	90	53 Å²	53	47%	0.471	26%	0.26	S	S	.	.	H	α-helix	trans	-66.4	-35.6	179.3	-173.9	58.5	0	0	0	112	L23 E140 T141 N148	L23-L144 HydrophobicContact CD2-CD2 3.6Å; L23-L144 HydrophobicContact CD2-CG 3.77Å; E140-L144 WeakPolarHBondContact O-CB 3.49Å; E140-L144 PolarHBondContact O-N 3.22Å; T141-L144 PolarHBondContact O-N 3.4Å; L144-N148 WeakPolarHBondContact CD1-ND2 3.38Å; L144-N148 WeakPolarHBondContact O-CB 3.48Å; L144-N148 PolarHBondContact O-N 2.96Å; L144-N148 VanDerWaalsContact O-N 3.15Å; L144-N148 PolarHBondContact O-ND2 3.43Å
145	W	86.4	Confident	78.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-49.8	170.4	-90	73.8	0	0	0	111.7	L24 D28 F30 V51 I99 T141 L142 K143 D147 N148 L149	L24-W145 HydrophobicContact CD2-CD2 3.39Å; L24-W145 HydrophobicContact CD2-CE3 3.58Å; L24-W145 HydrophobicContact CD2-CG 3.91Å; L24-W145 HydrophobicContact CD2-CH2 3.96Å; L24-W145 HydrophobicContact CD2-CZ2 3.8Å; L24-W145 HydrophobicContact CD2-CZ3 3.86Å; D28-W145 HydrophobicContact CB-CZ2 3.9Å; D28-W145 PolarHBondContact OD2-NE1 3.29Å; F30-W145 HydrophobicContact CE2-CD2 4.04Å; F30-W145 AromaticContact CE2-CE2 3.91Å; F30-W145 HydrophobicContact CE2-CE3 4.17Å; F30-W145 HydrophobicContact CE2-CH2 4.16Å; F30-W145 AromaticContact CE2-CZ2 3.99Å; F30-W145 HydrophobicContact CE2-CZ2 3.99Å; F30-W145 HydrophobicContact CE2-CZ3 4.23Å; F30-W145 AromaticContact CZ-CD2 3.63Å; F30-W145 HydrophobicContact CZ-CD2 3.63Å; F30-W145 AromaticContact CZ-CE2 3.86Å; F30-W145 AromaticContact CZ-CE3 3.94Å; F30-W145 HydrophobicContact CZ-CE3 3.94Å; F30-W145 AromaticContact CZ-CG 3.9Å; F30-W145 HydrophobicContact CZ-CG 3.9Å; F30-W145 HydrophobicContact CZ-CZ2 4.4Å; F30-W145 HydrophobicContact CZ-CZ3 4.46Å; V51-W145 HydrophobicContact CB-CH2 4.46Å; V51-W145 HydrophobicContact CG1-CH2 4.3Å; V51-W145 HydrophobicContact CG1-CZ3 4.09Å; V51-W145 WeakPolarHBondContact O-CH2 3.2Å; I99-W145 HydrophobicContact CD1-CB 3.79Å; T141-W145 WeakPolarHBondContact O-CB 3.31Å; T141-W145 VanDerWaalsContact O-CD1 3.31Å; T141-W145 PolarHBondContact O-N 3.42Å; L142-W145 PolarHBondContact O-N 3.03Å; K143-W145 VanDerWaalsContact C-N 3.34Å; K143-W145 PolarHBondContact O-N 3.07Å; W145-D147 PolarHBondContact O-N 3.2Å; W145-N148 PolarHBondContact O-N 3.13Å; W145-L149 HydrophobicContact CE3-CD1 4.21Å; W145-L149 VanDerWaalsContact O-CB 3.23Å; W145-L149 WeakPolarHBondContact O-CB 3.37Å; W145-L149 VanDerWaalsContact O-CG 3.29Å; W145-L149 WeakPolarHBondContact O-CG 3.44Å; W145-L149 PolarHBondContact O-N 2.84Å
146	K	85.4	Confident	78.1	Confident	34 Å²	34	54.2 Å²	54.2	15%	0.148	27%	0.266	C	S	.	.	H	α-helix	trans	-55	-52.6	175.5	163.2	172.8	161.6	-173.3	0	111.9	I81 M83 I99 L142 K143 N148 L149 L150	I81-K146 HydrophobicContact CG2-CG 4.49Å; M83-K146 HydrophobicContact CB-CD 3.38Å; M83-K146 HydrophobicContact CG-CD 4.41Å; M83-K146 HydrophobicContact SD-CD 4.28Å; I99-K146 HydrophobicContact CD1-CB 4.44Å; I99-K146 HydrophobicContact CG1-CB 4.46Å; L142-K146 WeakPolarHBondContact O-CB 3.32Å; L142-K146 PolarHBondContact O-N 3.13Å; K143-K146 PolarHBondContact O-N 3.49Å; K146-N148 VanDerWaalsContact C-N 3.34Å; K146-N148 PolarHBondContact O-N 3.43Å; K146-L149 PolarHBondContact O-N 3.43Å; K146-L150 HydrophobicContact CD-CD1 4.29Å; K146-L150 HydrophobicContact CG-CD1 3.52Å; K146-L150 HydrophobicContact CG-CG 4.34Å; K146-L150 WeakPolarHBondContact O-CB 3.45Å; K146-L150 WeakPolarHBondContact O-CD1 3.44Å; K146-L150 VanDerWaalsContact O-CG 3.24Å; K146-L150 WeakPolarHBondContact O-CG 3.41Å; K146-L150 PolarHBondContact O-N 2.9Å
147	D	82.5	Confident	78.7	Confident	60 Å²	60	50.2 Å²	50.2	32%	0.321	25%	0.248	S	C	.	.	H	α-helix	trans	-66.2	-35.5	-173.7	-72.3	-13.8	0	0	0	111.9	K143 W145 R151	K143-D147 WeakPolarHBondContact O-CB 3.44Å; K143-D147 PolarHBondContact O-N 2.83Å; W145-D147 PolarHBondContact O-N 3.2Å; D147-R151 WeakPolarHBondContact O-CG 3.47Å; D147-R151 PolarHBondContact O-N 3.18Å
148	N	84.3	Confident	78.9	Confident	28 Å²	28	46.3 Å²	46.3	15%	0.15	23%	0.23	C	C	.	.	H	α-helix	trans	-75.3	-41.2	174.2	-71.7	-51	0	0	0	112.8	P21 L24 L144 W145 K146 L150 R151 L152	P21-N148 HydrophobicContact CG-CB 4.48Å; L24-N148 HydrophobicContact CD1-CB 3.84Å; L144-N148 WeakPolarHBondContact CD1-ND2 3.38Å; L144-N148 WeakPolarHBondContact O-CB 3.48Å; L144-N148 PolarHBondContact O-N 2.96Å; L144-N148 VanDerWaalsContact O-N 3.15Å; L144-N148 PolarHBondContact O-ND2 3.43Å; W145-N148 PolarHBondContact O-N 3.13Å; K146-N148 VanDerWaalsContact C-N 3.34Å; K146-N148 PolarHBondContact O-N 3.43Å; N148-L150 VanDerWaalsContact C-N 3.35Å; N148-L150 PolarHBondContact O-N 3.21Å; N148-R151 PolarHBondContact O-N 3.03Å; N148-L152 WeakPolarHBondContact O-CB 3.37Å; N148-L152 PolarHBondContact O-N 2.99Å
149	L	84.7	Confident	78.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-42	175.1	-81.7	171	0	0	0	112.1	I53 I60 L75 I81 W145 K146 R151 L152 V153	I53-L149 HydrophobicContact CD1-CD2 3.53Å; I60-L149 HydrophobicContact CD1-CD2 3.84Å; I60-L149 HydrophobicContact CG1-CD2 4.5Å; L75-L149 HydrophobicContact CD2-CD2 4.27Å; I81-L149 HydrophobicContact CD1-CB 3.88Å; W145-L149 HydrophobicContact CE3-CD1 4.21Å; W145-L149 VanDerWaalsContact O-CB 3.23Å; W145-L149 WeakPolarHBondContact O-CB 3.37Å; W145-L149 VanDerWaalsContact O-CG 3.29Å; W145-L149 WeakPolarHBondContact O-CG 3.44Å; W145-L149 PolarHBondContact O-N 2.84Å; K146-L149 PolarHBondContact O-N 3.43Å; L149-R151 PolarHBondContact O-N 3.42Å; L149-L152 PolarHBondContact O-N 3.39Å; L149-V153 WeakPolarHBondContact O-CB 3.2Å; L149-V153 WeakPolarHBondContact O-CG2 3.42Å; L149-V153 PolarHBondContact O-N 3.4Å
150	L	82.9	Confident	78.3	Confident	5 Å²	5	41 Å²	41	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-60.3	-43.6	177.3	-78	164.3	0	0	0	111.9	I81 K146 N148 F154 L555 L634	I81-L150 HydrophobicContact CB-CD2 3.87Å; I81-L150 HydrophobicContact CB-CG 4.29Å; I81-L150 HydrophobicContact CG2-CD2 4.41Å; I81-L150 HydrophobicContact CG2-CG 4.3Å; K146-L150 HydrophobicContact CD-CD1 4.29Å; K146-L150 HydrophobicContact CG-CD1 3.52Å; K146-L150 HydrophobicContact CG-CG 4.34Å; K146-L150 WeakPolarHBondContact O-CB 3.45Å; K146-L150 WeakPolarHBondContact O-CD1 3.44Å; K146-L150 VanDerWaalsContact O-CG 3.24Å; K146-L150 WeakPolarHBondContact O-CG 3.41Å; K146-L150 PolarHBondContact O-N 2.9Å; N148-L150 VanDerWaalsContact C-N 3.35Å; N148-L150 PolarHBondContact O-N 3.21Å; L150-F154 HydrophobicContact CD2-CD2 3.94Å; L150-F154 HydrophobicContact CD2-CE2 4.04Å; L150-F154 WeakPolarHBondContact O-CB 3.38Å; L150-F154 PolarHBondContact O-N 3.26Å; L150-L555 HydrophobicContact CD2-CD2 4.09Å; L150-L634 HydrophobicContact CD1-CD1 4.41Å; L150-L634 HydrophobicContact CD1-CD2 4.07Å; L150-L634 HydrophobicContact CD2-CD2 4.01Å
151	R	77.9	Confident	77.7	Confident	149 Å²	149	36 Å²	36	56%	0.562	18%	0.178	S	C	*	.	I	π-helix	trans	-63.9	-48.2	173.4	-69.9	171.5	-179.8	-178	1.1	111.6	D147 N148 L149 V153 T155	D147-R151 WeakPolarHBondContact O-CG 3.47Å; D147-R151 PolarHBondContact O-N 3.18Å; N148-R151 PolarHBondContact O-N 3.03Å; L149-R151 PolarHBondContact O-N 3.42Å; R151-V153 PolarHBondContact O-N 3.24Å; R151-T155 WeakPolarHBondContact O-CB 3.39Å; R151-T155 PolarHBondContact O-N 2.99Å; R151-T155 PolarHBondContact O-OG1 3.39Å
152	L	80.3	Confident	77.2	Confident	11 Å²	11	35.7 Å²	35.7	6%	0.058	18%	0.175	C	C	.	.	I	π-helix	trans	-59.5	-46.9	-177.7	-169.1	84	0	0	0	112	V20 I53 L75 N148 L149 R160	V20-L152 HydrophobicContact CG2-CD1 4.1Å; I53-L152 HydrophobicContact CD1-CD2 4Å; I53-L152 HydrophobicContact CG2-CD2 4.29Å; L75-L152 HydrophobicContact CD1-CD2 3.69Å; L75-L152 HydrophobicContact CD2-CD2 4.23Å; N148-L152 WeakPolarHBondContact O-CB 3.37Å; N148-L152 PolarHBondContact O-N 2.99Å; L149-L152 PolarHBondContact O-N 3.39Å; L152-R160 PolarHBondContact O-NE 3.13Å; L152-R160 PolarHBondContact O-NH1 2.83Å
153	V	80.9	Confident	76.9	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	18%	0.178	C	C	.	.	I	π-helix	trans	-77.6	-54.6	-177.1	175.1	0	0	0	0	111.5	L75 I81 L149 R151	L75-V153 HydrophobicContact CD2-CG2 3.58Å; I81-V153 HydrophobicContact CD1-CG2 4.23Å; L149-V153 WeakPolarHBondContact O-CB 3.2Å; L149-V153 WeakPolarHBondContact O-CG2 3.42Å; L149-V153 PolarHBondContact O-N 3.4Å; R151-V153 PolarHBondContact O-N 3.24Å
154	F	80.1	Confident	76.9	Confident	5 Å²	5	33 Å²	33	2%	0.022	17%	0.165	C	C	.	.	I	π-helix	trans	-95.1	-32.9	-162.7	-63.6	-75.3	0	0	0	114.8	I81 L150 H156 Y157 L555 I635	I81-F154 HydrophobicContact CD1-CE2 4.08Å; I81-F154 HydrophobicContact CG1-CE2 4.08Å; L150-F154 HydrophobicContact CD2-CD2 3.94Å; L150-F154 HydrophobicContact CD2-CE2 4.04Å; L150-F154 WeakPolarHBondContact O-CB 3.38Å; L150-F154 PolarHBondContact O-N 3.26Å; F154-H156 VanDerWaalsContact C-N 3.32Å; F154-H156 PolarHBondContact O-N 2.87Å; F154-Y157 WeakPolarHBondContact O-CB 3.09Å; F154-Y157 PolarHBondContact O-N 2.9Å; F154-L555 HydrophobicContact CD1-CB 3.93Å; F154-L555 HydrophobicContact CD2-CD2 4.28Å; F154-L555 HydrophobicContact CE1-CB 3.88Å; F154-L555 HydrophobicContact CE1-CD1 4.3Å; F154-L555 HydrophobicContact CE2-CD1 4.05Å; F154-L555 HydrophobicContact CE2-CD2 4.41Å; F154-L555 HydrophobicContact CG-CB 4.37Å; F154-L555 HydrophobicContact CZ-CB 4.27Å; F154-L555 HydrophobicContact CZ-CD1 3.85Å; F154-I635 HydrophobicContact CB-CD1 3.47Å; F154-I635 VanDerWaalsContact CB-CD1 3.47Å; F154-I635 HydrophobicContact CB-CG1 3.93Å; F154-I635 HydrophobicContact CG-CD1 4.05Å
155	T	72.7	Confident	76.9	Confident	41 Å²	41	29.4 Å²	29.4	25%	0.252	15%	0.147	S	C	.	.	I	π-helix	trans	-61.2	-41.8	-178.8	-59.4	0	0	0	0	111.8	R151 T477	R151-T155 WeakPolarHBondContact O-CB 3.39Å; R151-T155 PolarHBondContact O-N 2.99Å; R151-T155 PolarHBondContact O-OG1 3.39Å; T155-T477 HydrophobicContact CG2-CG2 4.09Å; T155-T477 WeakPolarHBondContact O-CG2 3.33Å
156	H	67.9	Low	76.9	Confident	18 Å²	18	29.5 Å²	29.5	8%	0.083	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	18.6	179.5	-56.9	-81.6	0	0	0	113.5	W17 F154 P158 T159 R160	W17-H156 HydrophobicContact CB-CB 3.63Å; F154-H156 VanDerWaalsContact C-N 3.32Å; F154-H156 PolarHBondContact O-N 2.87Å; H156-P158 VanDerWaalsContact C-CD 3.45Å; H156-T159 WeakPolarHBondContact O-CB 3.44Å; H156-T159 PolarHBondContact O-N 2.93Å; H156-T159 VanDerWaalsContact O-N 3.07Å; H156-R160 WeakPolarHBondContact O-CG 3.49Å; H156-R160 PolarHBondContact O-N 3.11Å
157	Y	70.2	Confident	76.9	Confident	72 Å²	72	28.2 Å²	28.2	28%	0.282	14%	0.142	S	C	.	.	H	α-helix	trans	-51.8	-45.2	-178	-176.5	-95.5	0	0	0	114.2	F154 T159 R160 V161 F556	F154-Y157 WeakPolarHBondContact O-CB 3.09Å; F154-Y157 PolarHBondContact O-N 2.9Å; Y157-T159 VanDerWaalsContact C-N 3.26Å; Y157-T159 PolarHBondContact O-N 3.46Å; Y157-R160 PolarHBondContact O-N 3.04Å; Y157-V161 HydrophobicContact CD1-CG2 4.14Å; Y157-V161 HydrophobicContact CD2-CG2 4.28Å; Y157-V161 HydrophobicContact CE1-CG2 3.73Å; Y157-V161 HydrophobicContact CE2-CG2 3.88Å; Y157-V161 HydrophobicContact CG-CG2 4.4Å; Y157-V161 WeakPolarHBondContact O-CG2 3.44Å; Y157-V161 PolarHBondContact O-N 3.14Å; Y157-F556 HydrophobicContact CD1-CD1 4.42Å; Y157-F556 HydrophobicContact CE1-CD1 4.05Å; Y157-F556 AromaticContact CE1-CE1 4Å; Y157-F556 HydrophobicContact CE1-CE1 4Å; Y157-F556 HydrophobicContact CE2-CE1 4.12Å; Y157-F556 AromaticContact CZ-CE1 3.73Å
158	P	66.4	Low	76.9	Confident	65 Å²	65	28.3 Å²	28.3	42%	0.422	14%	0.142	S	C	.	.	H	α-helix	trans	-59.3	-38.9	178.6	-22.6	34.5	0	0	0	112.8	H156 D162	H156-P158 VanDerWaalsContact C-CD 3.45Å; P158-D162 WeakPolarHBondContact O-CB 3.45Å; P158-D162 PolarHBondContact O-N 3.47Å
159	T	67.4	Low	77	Confident	18 Å²	18	27.5 Å²	27.5	11%	0.11	14%	0.138	C	C	.	.	H	α-helix	trans	-74	-36.4	180	-27.9	0	0	0	0	111.6	P16 H156 Y157 D162 S476	P16-T159 HydrophobicContact CB-CG2 3.81Å; P16-T159 HydrophobicContact CG-CG2 3.44Å; P16-T159 VanDerWaalsContact CG-CG2 3.44Å; H156-T159 WeakPolarHBondContact O-CB 3.44Å; H156-T159 PolarHBondContact O-N 2.93Å; H156-T159 VanDerWaalsContact O-N 3.07Å; Y157-T159 VanDerWaalsContact C-N 3.26Å; Y157-T159 PolarHBondContact O-N 3.46Å; T159-D162 CarbonylContact O-C 3.57Å; T159-D162 PolarHBondContact O-N 3.33Å; T159-S476 PolarHBondContact OG1-O 3.16Å; T159-S476 PolarHBondContact OG1-OG 3.3Å
160	R	66.9	Low	77.1	Confident	9 Å²	9	28.1 Å²	28.1	3%	0.034	14%	0.14	C	C	.	.	H	α-helix	trans	-70.9	-28.5	176.4	-73.8	172.7	161	-113.8	-15.7	113.7	W17 G57 M76 L152 H156 Y157 L163	W17-R160 HydrophobicContact CD2-CG 4.17Å; W17-R160 HydrophobicContact CE3-CG 3.87Å; W17-R160 HydrophobicContact CH2-CG 4.46Å; W17-R160 HydrophobicContact CZ3-CG 4.04Å; G57-R160 VanDerWaalsContact O-CZ 3.23Å; G57-R160 PolarHBondContact O-NH1 3.17Å; G57-R160 PolarHBondContact O-NH2 2.69Å; M76-R160 WeakPolarHBondContact CE-O 3.47Å; M76-R160 VanDerWaalsContact SD-O 3.38Å; L152-R160 PolarHBondContact O-NE 3.13Å; L152-R160 PolarHBondContact O-NH1 2.83Å; H156-R160 WeakPolarHBondContact O-CG 3.49Å; H156-R160 PolarHBondContact O-N 3.11Å; Y157-R160 PolarHBondContact O-N 3.04Å; R160-L163 WeakPolarHBondContact O-CG 3.36Å
161	V	68.8	Low	77.3	Confident	49 Å²	49	28.5 Å²	28.5	30%	0.297	14%	0.142	S	C	.	.	H	α-helix	trans	-81	-22.8	172.8	-176.1	0	0	0	0	112.2	M76 Y157 N337	M76-V161 HydrophobicContact CE-CG2 4.43Å; Y157-V161 HydrophobicContact CD1-CG2 4.14Å; Y157-V161 HydrophobicContact CD2-CG2 4.28Å; Y157-V161 HydrophobicContact CE1-CG2 3.73Å; Y157-V161 HydrophobicContact CE2-CG2 3.88Å; Y157-V161 HydrophobicContact CG-CG2 4.4Å; Y157-V161 WeakPolarHBondContact O-CG2 3.44Å; Y157-V161 PolarHBondContact O-N 3.14Å; V161-N337 WeakPolarHBondContact CG1-ND2 3.29Å
162	D	68.6	Low	77.5	Confident	17 Å²	17	26.3 Å²	26.3	9%	0.091	14%	0.138	C	C	.	.	S	Bend	trans	-110.6	38.7	-174.8	-162.6	7.1	0	0	0	112.6	P158 T159 R333 R455	P158-D162 WeakPolarHBondContact O-CB 3.45Å; P158-D162 PolarHBondContact O-N 3.47Å; T159-D162 CarbonylContact O-C 3.57Å; T159-D162 PolarHBondContact O-N 3.33Å; D162-R333 WeakPolarHBondContact OD1-CB 3.42Å; D162-R455 PolarHBondContact O-NH1 3.26Å; D162-R455 IonicContact OD1-CZ 3.51Å; D162-R455 IonicContact OD1-NH1 2.93Å; D162-R455 PolarHBondContact OD1-NH1 3.4Å; D162-R455 IonicContact OD1-NH2 3.94Å; D162-R455 IonicContact OD2-CZ 3.68Å; D162-R455 IonicContact OD2-NH1 3.95Å; D162-R455 PolarHBondContact OD2-NH1 2.94Å; D162-R455 VanDerWaalsContact OD2-NH1 3.12Å; D162-R455 IonicContact OD2-NH2 3.86Å; D162-R455 PolarHBondContact OD2-NH2 2.92Å
163	L	74.4	Confident	77.8	Confident	14 Å²	14	26.2 Å²	26.2	7%	0.073	14%	0.137	C	C	.	.			trans	-54.8	140.7	175.2	-59.4	-176.6	0	0	0	111	W17 F58 M76 R160 E167 R333	W17-L163 HydrophobicContact CH2-CD2 3.44Å; W17-L163 VanDerWaalsContact CH2-CD2 3.44Å; W17-L163 HydrophobicContact CZ3-CD2 3.43Å; W17-L163 VanDerWaalsContact CZ3-CD2 3.43Å; F58-L163 HydrophobicContact CE1-CD1 4.14Å; M76-L163 HydrophobicContact SD-CD1 4.46Å; R160-L163 WeakPolarHBondContact O-CG 3.36Å; L163-E167 HydrophobicContact CB-CB 4.44Å; L163-R333 WeakPolarHBondContact O-CD 3.44Å; L163-R333 PolarHBondContact O-NH1 2.8Å
164	A	81.5	Confident	78	Confident	7 Å²	7	26.2 Å²	26.2	6%	0.058	14%	0.137	C	C	.	.			trans	-73	162	167.8	0	0	0	0	0	111.1	L166 E167 L168 R333	A164-L166 VanDerWaalsContact C-N 3.34Å; A164-L166 PolarHBondContact O-N 3.3Å; A164-E167 VanDerWaalsContact C-OE2 3.31Å; A164-E167 WeakPolarHBondContact CB-OE2 3.49Å; A164-E167 PolarHBondContact O-N 3.18Å; A164-L168 PolarHBondContact O-N 2.72Å; A164-R333 PolarHBondContact O-NH1 2.93Å
165	P	84.4	Confident	78.1	Confident	14 Å²	14	27.2 Å²	27.2	9%	0.091	14%	0.141	C	C	.	.	H	α-helix	trans	-58.1	-33.8	-173.6	-31.4	37.4	0	0	0	116.7	L168 L169 L450	P165-L168 PolarHBondContact O-N 3.29Å; P165-L169 PolarHBondContact O-N 3.14Å; P165-L450 HydrophobicContact CB-CB 4.1Å; P165-L450 HydrophobicContact CB-CD2 3.65Å; P165-L450 HydrophobicContact CB-CG 4.42Å; P165-L450 WeakPolarHBondContact CD-O 3.47Å; P165-L450 HydrophobicContact CG-CD2 4.28Å
166	L	86.5	Confident	78.6	Confident	2 Å²	2	25.9 Å²	25.9	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-69.8	-41.3	-178.8	-172	67.6	0	0	0	111.6	A164 L168 L169 W170 F255 F259 Y428 L450	A164-L166 VanDerWaalsContact C-N 3.34Å; A164-L166 PolarHBondContact O-N 3.3Å; L166-L168 VanDerWaalsContact C-N 3.28Å; L166-L168 PolarHBondContact O-N 3.19Å; L166-L169 WeakPolarHBondContact O-CB 3.24Å; L166-L169 PolarHBondContact O-N 3.35Å; L166-L169 VanDerWaalsContact O-N 3.1Å; L166-W170 HydrophobicContact CD2-CE3 4.38Å; L166-W170 HydrophobicContact CD2-CH2 3.94Å; L166-W170 HydrophobicContact CD2-CZ3 3.7Å; L166-W170 HydrophobicContact CG-CE3 3.99Å; L166-W170 HydrophobicContact CG-CH2 4.35Å; L166-W170 HydrophobicContact CG-CZ3 3.83Å; L166-W170 PolarHBondContact O-N 2.78Å; L166-F255 HydrophobicContact CD1-CE1 4.16Å; L166-F255 HydrophobicContact CD1-CZ 4.05Å; L166-F259 HydrophobicContact CD1-CD2 4.23Å; L166-F259 HydrophobicContact CD1-CE2 3.81Å; L166-Y428 HydrophobicContact CD2-CD1 4.24Å; L166-Y428 HydrophobicContact CD2-CE1 3.84Å; L166-L450 HydrophobicContact CB-CB 3.95Å; L166-L450 WeakPolarHBondContact CB-O 3.43Å; L166-L450 PolarHBondContact N-O 2.97Å
167	E	84.9	Confident	79.3	Confident	7 Å²	7	25.1 Å²	25.1	3%	0.033	13%	0.129	C	C	.	.	H	α-helix	trans	-66.5	-30.9	177.7	-61.8	82.5	168.9	0	0	111.6	L163 A164 W170 K171 S452	L163-E167 HydrophobicContact CB-CB 4.44Å; A164-E167 VanDerWaalsContact C-OE2 3.31Å; A164-E167 WeakPolarHBondContact CB-OE2 3.49Å; A164-E167 PolarHBondContact O-N 3.18Å; E167-W170 HydrophobicContact CG-CE3 4.39Å; E167-K171 PolarHBondContact O-N 3.22Å; E167-S452 WeakPolarHBondContact OE1-CB 3.16Å; E167-S452 PolarHBondContact OE1-N 3.16Å; E167-S452 PolarHBondContact OE1-OG 3.01Å
168	L	83.5	Confident	79.7	Confident	62 Å²	62	21.8 Å²	21.8	33%	0.325	12%	0.116	S	C	.	.	H	α-helix	trans	-70.6	-36.8	170.2	-174.5	64.9	0	0	0	112.6	A164 P165 L166 K171 Q172	A164-L168 PolarHBondContact O-N 2.72Å; P165-L168 PolarHBondContact O-N 3.29Å; L166-L168 VanDerWaalsContact C-N 3.28Å; L166-L168 PolarHBondContact O-N 3.19Å; L168-K171 PolarHBondContact O-N 3.17Å; L168-Q172 WeakPolarHBondContact O-CG 3.5Å; L168-Q172 PolarHBondContact O-N 3.42Å
169	L	86.5	Confident	80.1	Confident	12 Å²	12	19 Å²	19	6%	0.063	10%	0.098	C	C	.	.	H	α-helix	trans	-66.8	-41.8	173.9	-72.6	169.6	0	0	0	111.1	P165 L166 K171 Q172 W173 F255 F258 F259 F262 L450	P165-L169 PolarHBondContact O-N 3.14Å; L166-L169 WeakPolarHBondContact O-CB 3.24Å; L166-L169 PolarHBondContact O-N 3.35Å; L166-L169 VanDerWaalsContact O-N 3.1Å; L169-K171 VanDerWaalsContact C-N 3.33Å; L169-K171 PolarHBondContact O-N 3.1Å; L169-Q172 PolarHBondContact O-N 2.99Å; L169-W173 PolarHBondContact O-N 3.47Å; L169-F255 HydrophobicContact CB-CE2 4.23Å; L169-F255 HydrophobicContact CB-CZ 4.26Å; L169-F258 HydrophobicContact CB-CE1 4.22Å; L169-F258 HydrophobicContact CD2-CE1 4.25Å; L169-F258 WeakPolarHBondContact O-CE1 3.43Å; L169-F259 HydrophobicContact CD1-CD2 4.1Å; L169-F259 HydrophobicContact CD1-CE2 3.91Å; L169-F262 HydrophobicContact CD1-CD1 4.04Å; L169-F262 HydrophobicContact CD1-CE1 3.78Å; L169-F262 HydrophobicContact CD1-CZ 4.04Å; L169-F262 HydrophobicContact CD2-CD2 3.91Å; L169-F262 HydrophobicContact CD2-CE2 3.86Å; L169-F262 HydrophobicContact CD2-CG 4.26Å; L169-F262 HydrophobicContact CD2-CZ 4.19Å; L169-L450 HydrophobicContact CD1-CD1 4.28Å
170	W	86.3	Confident	80.3	Confident	13 Å²	13	19.6 Å²	19.6	5%	0.049	10%	0.098	C	C	.	.	H	α-helix	trans	-57.7	-44.1	171.4	-93.8	-51.1	0	0	0	112.1	S11 P13 L166 E167 Q172 W173 T174 F255	S11-W170 VanDerWaalsContact O-CZ2 3.25Å; S11-W170 WeakPolarHBondContact O-CZ2 3.46Å; P13-W170 HydrophobicContact CB-CD2 4.07Å; P13-W170 HydrophobicContact CB-CE3 3.66Å; P13-W170 HydrophobicContact CB-CH2 4.04Å; P13-W170 HydrophobicContact CB-CZ2 4.42Å; P13-W170 HydrophobicContact CB-CZ3 3.64Å; P13-W170 HydrophobicContact CG-CD2 3.62Å; P13-W170 HydrophobicContact CG-CE3 3.77Å; P13-W170 HydrophobicContact CG-CG 4.08Å; P13-W170 HydrophobicContact CG-CH2 4.15Å; P13-W170 HydrophobicContact CG-CZ2 4.01Å; P13-W170 HydrophobicContact CG-CZ3 4.03Å; L166-W170 HydrophobicContact CD2-CE3 4.38Å; L166-W170 HydrophobicContact CD2-CH2 3.94Å; L166-W170 HydrophobicContact CD2-CZ3 3.7Å; L166-W170 HydrophobicContact CG-CE3 3.99Å; L166-W170 HydrophobicContact CG-CH2 4.35Å; L166-W170 HydrophobicContact CG-CZ3 3.83Å; L166-W170 PolarHBondContact O-N 2.78Å; E167-W170 HydrophobicContact CG-CE3 4.39Å; W170-Q172 VanDerWaalsContact C-N 3.33Å; W170-Q172 PolarHBondContact O-N 3.36Å; W170-W173 PolarHBondContact O-N 2.92Å; W170-T174 VanDerWaalsContact O-CB 3.31Å; W170-T174 WeakPolarHBondContact O-CB 3.46Å; W170-T174 PolarHBondContact O-N 3.27Å; W170-T174 PolarHBondContact O-OG1 3.36Å; W170-F255 HydrophobicContact CB-CE2 4.34Å; W170-F255 AromaticContact CD1-CD1 3.81Å; W170-F255 AromaticContact CD1-CD2 3.31Å; W170-F255 AromaticContact CD1-CE1 3.97Å; W170-F255 AromaticContact CD1-CE2 3.5Å; W170-F255 AromaticContact CD1-CG 3.46Å; W170-F255 VanDerWaalsContact CD1-CG 3.46Å; W170-F255 AromaticContact CD1-CZ 3.82Å; W170-F255 HydrophobicContact CD2-CE1 4.2Å; W170-F255 HydrophobicContact CD2-CE2 4.49Å; W170-F255 HydrophobicContact CD2-CZ 4.13Å; W170-F255 AromaticContact CE2-CD1 3.79Å; W170-F255 AromaticContact CE2-CE1 3.7Å; W170-F255 HydrophobicContact CG-CD2 4.11Å; W170-F255 HydrophobicContact CG-CE1 4.35Å; W170-F255 AromaticContact CG-CE2 3.84Å; W170-F255 HydrophobicContact CG-CE2 3.84Å; W170-F255 HydrophobicContact CG-CG 4.47Å; W170-F255 AromaticContact CG-CZ 3.96Å; W170-F255 HydrophobicContact CG-CZ 3.96Å; W170-F255 HydrophobicContact CZ2-CD1 4.29Å; W170-F255 HydrophobicContact CZ2-CE1 4.16Å; W170-F255 AromaticContact NE1-CD1 3.22Å; W170-F255 AromaticContact NE1-CD2 3.65Å; W170-F255 AromaticContact NE1-CE1 3.53Å; W170-F255 AromaticContact NE1-CE2 3.94Å; W170-F255 AromaticContact NE1-CG 3.27Å; W170-F255 VanDerWaalsContact NE1-CG 3.27Å; W170-F255 AromaticContact NE1-CZ 3.87Å
171	K	86.3	Confident	80.3	Confident	12 Å²	12	20 Å²	20	5%	0.052	10%	0.102	C	C	.	.	H	α-helix	trans	-60.5	-39.4	175	177.5	169.7	174.1	170.8	0	112.6	F58 F59 D74 M76 E167 L168 L169 H175	F58-K171 HydrophobicContact CB-CD 4.12Å; F58-K171 HydrophobicContact CB-CG 4.01Å; F58-K171 HydrophobicContact CD1-CB 4.05Å; F58-K171 HydrophobicContact CD1-CD 3.74Å; F58-K171 HydrophobicContact CD1-CG 4.03Å; F58-K171 HydrophobicContact CD2-CB 3.96Å; F58-K171 HydrophobicContact CD2-CG 4.22Å; F58-K171 HydrophobicContact CE1-CB 4.07Å; F58-K171 HydrophobicContact CE1-CD 4.31Å; F58-K171 HydrophobicContact CE2-CB 3.99Å; F58-K171 HydrophobicContact CG-CB 3.98Å; F58-K171 HydrophobicContact CG-CD 4Å; F58-K171 HydrophobicContact CG-CG 3.85Å; F58-K171 HydrophobicContact CZ-CB 4.04Å; F59-K171 HydrophobicContact CE2-CG 3.78Å; F59-K171 WeakPolarHBondContact CE2-O 3.43Å; F59-K171 HydrophobicContact CZ-CD 4.34Å; F59-K171 HydrophobicContact CZ-CG 3.71Å; D74-K171 IonicContact OD1-NZ 2.96Å; D74-K171 PolarHBondContact OD1-NZ 3.01Å; D74-K171 VanDerWaalsContact OD2-CE 3.28Å; D74-K171 WeakPolarHBondContact OD2-CE 3.48Å; D74-K171 IonicContact OD2-NZ 3.24Å; D74-K171 PolarHBondContact OD2-NZ 3.17Å; M76-K171 PolarHBondContact SD-NZ 3.36Å; E167-K171 PolarHBondContact O-N 3.22Å; L168-K171 PolarHBondContact O-N 3.17Å; L169-K171 VanDerWaalsContact C-N 3.33Å; L169-K171 PolarHBondContact O-N 3.1Å; K171-H175 PolarHBondContact O-N 2.87Å; K171-H175 VanDerWaalsContact O-N 3.09Å
172	Q	83.8	Confident	79.7	Confident	103 Å²	103	18.7 Å²	18.7	48%	0.481	9%	0.094	S	C	.	.	H	α-helix	trans	-66.2	-47.7	175.7	-73.5	179.1	-34.6	0	0	112.1	L168 L169 W170 T174 H175 L176 F258	L168-Q172 WeakPolarHBondContact O-CG 3.5Å; L168-Q172 PolarHBondContact O-N 3.42Å; L169-Q172 PolarHBondContact O-N 2.99Å; W170-Q172 VanDerWaalsContact C-N 3.33Å; W170-Q172 PolarHBondContact O-N 3.36Å; Q172-T174 VanDerWaalsContact C-N 3.33Å; Q172-T174 PolarHBondContact O-N 3.38Å; Q172-H175 WeakPolarHBondContact O-CB 3.44Å; Q172-H175 PolarHBondContact O-N 3.48Å; Q172-L176 PolarHBondContact O-N 3.42Å; Q172-F258 HydrophobicContact CB-CZ 4.18Å
173	W	86	Confident	78.9	Confident	10 Å²	10	21.1 Å²	21.1	4%	0.038	11%	0.107	C	C	.	.	H	α-helix	trans	-59.8	-41.6	175.2	173.8	72.5	0	0	0	112.5	W56 L169 W170 H175 L176 I177 F253 F255 F258	W56-W173 HydrophobicContact CH2-CE3 4.39Å; W56-W173 HydrophobicContact CH2-CH2 4.33Å; W56-W173 AromaticContact CH2-CZ3 3.58Å; W56-W173 HydrophobicContact CH2-CZ3 3.58Å; W56-W173 HydrophobicContact CZ2-CZ3 4.16Å; W56-W173 HydrophobicContact CZ3-CZ3 4.36Å; L169-W173 PolarHBondContact O-N 3.47Å; W170-W173 PolarHBondContact O-N 2.92Å; W173-H175 VanDerWaalsContact C-N 3.32Å; W173-H175 PolarHBondContact O-N 2.93Å; W173-L176 PolarHBondContact O-N 3.4Å; W173-I177 HydrophobicContact CD2-CD1 4.05Å; W173-I177 HydrophobicContact CH2-CD1 3.91Å; W173-I177 HydrophobicContact CZ2-CD1 3.27Å; W173-I177 PolarHBondContact O-N 3.32Å; W173-F253 AromaticContact CD1-CD1 4Å; W173-F253 AromaticContact CD1-CE1 3.64Å; W173-F253 AromaticContact NE1-CD1 3.76Å; W173-F253 AromaticContact NE1-CE1 3.91Å; W173-F253 PolarHBondContact NE1-O 2.96Å; W173-F255 HydrophobicContact CB-CD2 3.96Å; W173-F255 HydrophobicContact CB-CE2 4.41Å; W173-F255 HydrophobicContact CD2-CB 3.92Å; W173-F255 AromaticContact CD2-CD2 3.91Å; W173-F255 HydrophobicContact CD2-CD2 3.91Å; W173-F255 HydrophobicContact CD2-CG 4.42Å; W173-F255 VanDerWaalsContact CE2-N 3.35Å; W173-F255 HydrophobicContact CE3-CB 3.95Å; W173-F255 AromaticContact CE3-CD2 3.99Å; W173-F255 HydrophobicContact CE3-CD2 3.99Å; W173-F255 HydrophobicContact CE3-CG 4.38Å; W173-F255 AromaticContact CG-CD2 3.93Å; W173-F255 HydrophobicContact CG-CD2 3.93Å; W173-F255 HydrophobicContact CH2-CB 4.02Å; W173-F255 HydrophobicContact CZ2-CB 3.99Å; W173-F255 HydrophobicContact CZ3-CB 3.99Å; W173-F258 HydrophobicContact CB-CD1 3.77Å; W173-F258 HydrophobicContact CB-CD2 4.15Å; W173-F258 HydrophobicContact CB-CE1 3.9Å; W173-F258 HydrophobicContact CB-CE2 4.27Å; W173-F258 HydrophobicContact CB-CG 3.9Å; W173-F258 HydrophobicContact CB-CZ 4.15Å; W173-F258 VanDerWaalsContact CD1-CB 3.48Å; W173-F258 AromaticContact CD1-CD2 3.98Å; W173-F258 AromaticContact CD1-CG 3.67Å; W173-F258 HydrophobicContact CG-CB 4.19Å; W173-F258 HydrophobicContact CG-CD1 4.25Å; W173-F258 HydrophobicContact CG-CD2 4.46Å; W173-F258 HydrophobicContact CG-CG 4.05Å
174	T	85.2	Confident	77.1	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-56.4	-45	173.9	-60	0	0	0	0	111.6	D54 W56 F58 F59 W170 Q172 L176 I177 I178	D54-T174 HydrophobicContact CB-CG2 4.1Å; W56-T174 HydrophobicContact CE3-CG2 3.76Å; W56-T174 VanDerWaalsContact CE3-OG1 3.28Å; W56-T174 HydrophobicContact CZ3-CG2 3.76Å; W56-T174 WeakPolarHBondContact CZ3-OG1 3.49Å; F58-T174 HydrophobicContact CD2-CG2 4.45Å; F59-T174 HydrophobicContact CD2-CG2 4.13Å; F59-T174 HydrophobicContact CE2-CG2 4.26Å; W170-T174 VanDerWaalsContact O-CB 3.31Å; W170-T174 WeakPolarHBondContact O-CB 3.46Å; W170-T174 PolarHBondContact O-N 3.27Å; W170-T174 PolarHBondContact O-OG1 3.36Å; Q172-T174 VanDerWaalsContact C-N 3.33Å; Q172-T174 PolarHBondContact O-N 3.38Å; T174-L176 PolarHBondContact O-N 2.9Å; T174-I177 PolarHBondContact O-N 3.09Å; T174-I178 HydrophobicContact CG2-CD1 3.73Å; T174-I178 HydrophobicContact CG2-CG1 4.45Å; T174-I178 WeakPolarHBondContact O-CG1 3.23Å; T174-I178 PolarHBondContact O-N 3.04Å
175	H	83.1	Confident	75.1	Confident	27 Å²	27	25.7 Å²	25.7	13%	0.125	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-43.3	178.4	-167.4	-113.4	0	0	0	112.1	F59 T72 K171 Q172 W173 I178 V179	F59-H175 AromaticContact CE1-CD2 3.66Å; F59-H175 HydrophobicContact CE2-CB 3.88Å; F59-H175 HydrophobicContact CZ-CB 3.72Å; F59-H175 AromaticContact CZ-CD2 3.72Å; F59-H175 AromaticContact CZ-CG 3.97Å; T72-H175 PolarHBondContact OG1-NE2 3.1Å; K171-H175 PolarHBondContact O-N 2.87Å; K171-H175 VanDerWaalsContact O-N 3.09Å; Q172-H175 WeakPolarHBondContact O-CB 3.44Å; Q172-H175 PolarHBondContact O-N 3.48Å; W173-H175 VanDerWaalsContact C-N 3.32Å; W173-H175 PolarHBondContact O-N 2.93Å; H175-I178 PolarHBondContact O-N 2.8Å; H175-V179 WeakPolarHBondContact O-CG2 3.33Å; H175-V179 PolarHBondContact O-N 3.34Å; H175-V179 VanDerWaalsContact O-N 3.08Å
176	L	81.5	Confident	72.7	Confident	13 Å²	13	29.7 Å²	29.7	7%	0.068	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-46.3	174.7	-59.6	-178	0	0	0	111.4	Y117 Q172 W173 T174 I178 V179 Y180 A208 F253 F258	Y117-L176 HydrophobicContact CE1-CD2 3.56Å; Y117-L176 WeakPolarHBondContact OH-CD2 3.41Å; Q172-L176 PolarHBondContact O-N 3.42Å; W173-L176 PolarHBondContact O-N 3.4Å; T174-L176 PolarHBondContact O-N 2.9Å; L176-I178 PolarHBondContact O-N 3.15Å; L176-V179 PolarHBondContact O-N 3.07Å; L176-Y180 WeakPolarHBondContact O-CD2 3.38Å; L176-Y180 PolarHBondContact O-N 3.49Å; L176-A208 HydrophobicContact CD1-CB 4Å; L176-A208 HydrophobicContact CD2-CB 3.75Å; L176-F253 HydrophobicContact CB-CE1 4.42Å; L176-F253 HydrophobicContact CD1-CE1 4.19Å; L176-F253 HydrophobicContact CD1-CZ 4.21Å; L176-F258 HydrophobicContact CD1-CD2 4.28Å; L176-F258 HydrophobicContact CD1-CE2 3.96Å
177	I	82.3	Confident	70.2	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-43.7	179.9	-67.3	-171.8	0	0	0	111.7	L2 W173 T174 V179 Y180 S181 L250 F253	L2-I177 HydrophobicContact CD2-CB 4.33Å; L2-I177 HydrophobicContact CD2-CD1 4.24Å; L2-I177 HydrophobicContact CD2-CG2 3.7Å; L2-I177 HydrophobicContact CG-CG2 4.12Å; W173-I177 HydrophobicContact CD2-CD1 4.05Å; W173-I177 HydrophobicContact CH2-CD1 3.91Å; W173-I177 HydrophobicContact CZ2-CD1 3.27Å; W173-I177 PolarHBondContact O-N 3.32Å; T174-I177 PolarHBondContact O-N 3.09Å; I177-V179 VanDerWaalsContact C-N 3.35Å; I177-V179 PolarHBondContact O-N 2.95Å; I177-Y180 PolarHBondContact O-N 3.5Å; I177-S181 VanDerWaalsContact O-CB 3.27Å; I177-S181 WeakPolarHBondContact O-CB 3.17Å; I177-S181 PolarHBondContact O-N 3.19Å; I177-S181 PolarHBondContact O-OG 3.31Å; I177-L250 HydrophobicContact CB-CD1 4.45Å; I177-L250 HydrophobicContact CG1-CD1 4.01Å; I177-L250 HydrophobicContact CG2-CD1 4.34Å; I177-L250 HydrophobicContact CG2-CD2 4.43Å; I177-F253 HydrophobicContact CG1-CD1 4.43Å
178	I	80	Confident	67.8	Low	2 Å²	2	47.4 Å²	47.4	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-41.2	179.7	-67.7	166.3	0	0	0	111.6	D54 F59 Y61 V70 T72 T174 H175 L176 S181	D54-I178 HydrophobicContact CB-CD1 3.97Å; F59-I178 HydrophobicContact CB-CD1 4.35Å; F59-I178 HydrophobicContact CD2-CD1 4.09Å; Y61-I178 HydrophobicContact CD1-CD1 4.01Å; Y61-I178 HydrophobicContact CD1-CG1 4.44Å; Y61-I178 HydrophobicContact CD1-CG2 4.07Å; Y61-I178 HydrophobicContact CD2-CG2 3.76Å; Y61-I178 HydrophobicContact CE1-CD1 4.23Å; Y61-I178 HydrophobicContact CE1-CG1 4.44Å; Y61-I178 HydrophobicContact CE2-CG2 4.37Å; Y61-I178 HydrophobicContact CG-CG2 3.59Å; V70-I178 HydrophobicContact CG1-CG2 4.16Å; T72-I178 HydrophobicContact CG2-CG2 3.77Å; T174-I178 HydrophobicContact CG2-CD1 3.73Å; T174-I178 HydrophobicContact CG2-CG1 4.45Å; T174-I178 WeakPolarHBondContact O-CG1 3.23Å; T174-I178 PolarHBondContact O-N 3.04Å; H175-I178 PolarHBondContact O-N 2.8Å; L176-I178 PolarHBondContact O-N 3.15Å; I178-S181 PolarHBondContact O-OG 3.02Å
179	V	74.9	Confident	65.4	Low	7 Å²	7	50.4 Å²	50.4	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-66.2	-38.8	178.2	168.3	0	0	0	0	111.8	H175 L176 I177	H175-V179 WeakPolarHBondContact O-CG2 3.33Å; H175-V179 PolarHBondContact O-N 3.34Å; H175-V179 VanDerWaalsContact O-N 3.08Å; L176-V179 PolarHBondContact O-N 3.07Å; I177-V179 VanDerWaalsContact C-N 3.35Å; I177-V179 PolarHBondContact O-N 2.95Å
180	Y	71.7	Confident	62.9	Low	29 Å²	29	58.2 Å²	58.2	11%	0.114	28%	0.278	C	S	.	.	H	α-helix	trans	-92.8	-26.4	-175.3	-77.6	-77.7	0	0	0	115.5	Y117 L176 I177 N182 L183 I200 C204	Y117-Y180 HydrophobicContact CD2-CE2 4.49Å; Y117-Y180 WeakPolarHBondContact CD2-OH 3.4Å; Y117-Y180 AromaticContact CE2-CE2 3.65Å; Y117-Y180 HydrophobicContact CE2-CE2 3.65Å; Y117-Y180 AromaticContact CE2-CZ 3.89Å; Y117-Y180 VanDerWaalsContact CE2-OH 3.24Å; Y117-Y180 WeakPolarHBondContact CE2-OH 3.43Å; L176-Y180 WeakPolarHBondContact O-CD2 3.38Å; L176-Y180 PolarHBondContact O-N 3.49Å; I177-Y180 PolarHBondContact O-N 3.5Å; Y180-N182 VanDerWaalsContact C-N 3.33Å; Y180-N182 PolarHBondContact O-N 3.06Å; Y180-L183 HydrophobicContact CD1-CD1 4.06Å; Y180-L183 HydrophobicContact CE1-CD1 4.21Å; Y180-I200 HydrophobicContact CD1-CB 4.48Å; Y180-I200 HydrophobicContact CD1-CG1 4.43Å; Y180-I200 HydrophobicContact CD1-CG2 4.04Å; Y180-I200 HydrophobicContact CD2-CD1 4.18Å; Y180-I200 HydrophobicContact CD2-CG1 4.31Å; Y180-I200 HydrophobicContact CD2-CG2 3.87Å; Y180-I200 HydrophobicContact CE1-CG2 4.2Å; Y180-I200 HydrophobicContact CE2-CG2 4.03Å; Y180-I200 HydrophobicContact CG-CB 4.33Å; Y180-I200 HydrophobicContact CG-CD1 4.21Å; Y180-I200 HydrophobicContact CG-CG1 3.9Å; Y180-I200 HydrophobicContact CG-CG2 3.91Å; Y180-C204 HydrophobicContact CE1-CB 4.36Å; Y180-C204 HydrophobicContact CE2-CB 4.25Å; Y180-C204 VanDerWaalsContact OH-CB 3.22Å; Y180-C204 WeakPolarHBondContact OH-CB 3.09Å; Y180-C204 PolarHBondContact OH-SG 2.85Å
181	S	67.1	Low	60.3	Low	17 Å²	17	66.2 Å²	66.2	12%	0.119	32%	0.316	C	S	.	.	H	α-helix	trans	-59.3	-45	179.8	61.8	0	0	0	0	112.1	I177 I178 L183 S184 L250	I177-S181 VanDerWaalsContact O-CB 3.27Å; I177-S181 WeakPolarHBondContact O-CB 3.17Å; I177-S181 PolarHBondContact O-N 3.19Å; I177-S181 PolarHBondContact O-OG 3.31Å; I178-S181 PolarHBondContact O-OG 3.02Å; S181-L183 VanDerWaalsContact C-N 3.33Å; S181-L183 PolarHBondContact O-N 3.02Å; S181-S184 PolarHBondContact O-N 2.91Å; S181-S184 PolarHBondContact O-OG 2.83Å; S181-L250 VanDerWaalsContact CA-CD2 3.45Å
182	N	55.6	Low	57.5	Low	23 Å²	23	72 Å²	72	12%	0.123	36%	0.355	C	S	.	.	H	α-helix	trans	-83	-10.3	-167.5	-61.4	-7.7	0	0	0	113	N63 V70 Y180 S184 T185	N63-N182 PolarHBondContact ND2-ND2 3.5Å; N63-N182 WeakPolarHBondContact OD1-CB 3.48Å; N63-N182 PolarHBondContact OD1-ND2 2.96Å; V70-N182 HydrophobicContact CG2-CB 3.81Å; Y180-N182 VanDerWaalsContact C-N 3.33Å; Y180-N182 PolarHBondContact O-N 3.06Å; N182-S184 PolarHBondContact O-N 2.89Å; N182-T185 PolarHBondContact O-OG1 3.37Å
183	L	50.9	Low	54.8	Low	68 Å²	68	73.9 Å²	73.9	36%	0.356	37%	0.367	S	S	.	.	H	α-helix	trans	-70.4	-17.2	170.1	-71.9	169.2	0	0	0	112.9	A113 Y180 S181	A113-L183 HydrophobicContact CB-CD2 4.26Å; Y180-L183 HydrophobicContact CD1-CD1 4.06Å; Y180-L183 HydrophobicContact CE1-CD1 4.21Å; S181-L183 VanDerWaalsContact C-N 3.33Å; S181-L183 PolarHBondContact O-N 3.02Å
184	S	37.7	Very low	52.3	Low	35 Å²	35	81.6 Å²	81.6	25%	0.245	40%	0.403	C	S	.	.	H	α-helix	trans	-87.5	-40.4	-177.1	70.6	0	0	0	0	114.3	S181 N182 W186 S198	S181-S184 PolarHBondContact O-N 2.91Å; S181-S184 PolarHBondContact O-OG 2.83Å; N182-S184 PolarHBondContact O-N 2.89Å; S184-W186 VanDerWaalsContact C-N 3.33Å; S184-W186 PolarHBondContact O-N 3.21Å; S184-S198 VanDerWaalsContact CB-CB 3.48Å; S184-S198 WeakPolarHBondContact OG-CB 3.22Å
185	T	39.9	Very low	49.8	Very low	82 Å²	82	89.3 Å²	89.3	50%	0.503	44%	0.444	S	S	.	.	H	α-helix	trans	-71.5	-26.8	-169	48.2	0	0	0	0	113.4	N182 R187	N182-T185 PolarHBondContact O-OG1 3.37Å; T185-R187 VanDerWaalsContact C-N 3.26Å; T185-R187 PolarHBondContact O-N 3.31Å
186	W	32.6	Very low	47.9	Very low	97 Å²	97	97.8 Å²	97.8	37%	0.367	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	13.2	-174.5	-79	93.6	0	0	0	116.1	I65 S184	I65-W186 HydrophobicContact CB-CH2 4.03Å; I65-W186 HydrophobicContact CG1-CH2 3.79Å; I65-W186 HydrophobicContact CG1-CZ2 4.13Å; I65-W186 HydrophobicContact CG2-CH2 3.74Å; I65-W186 HydrophobicContact CG2-CZ3 3.97Å; S184-W186 VanDerWaalsContact C-N 3.33Å; S184-W186 PolarHBondContact O-N 3.21Å
187	R	34.3	Very low	46.5	Very low	182 Å²	182	103.7 Å²	103.7	69%	0.687	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.2	171.8	-62.9	-166.3	-173.7	-156	4.9	114.4	T185 T189	T185-R187 VanDerWaalsContact C-N 3.26Å; T185-R187 PolarHBondContact O-N 3.31Å; R187-T189 VanDerWaalsContact C-N 3.3Å; R187-T189 PolarHBondContact O-N 2.9Å; R187-T189 VanDerWaalsContact O-N 3.09Å
188	K	33.8	Very low	45.5	Very low	200 Å²	200	103.8 Å²	103.8	87%	0.87	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	20.2	-167.1	-71	-162.8	171.1	-168.6	0	117.4
189	T	33.1	Very low	44.5	Very low	125 Å²	125	105.8 Å²	105.8	77%	0.767	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.6	-1.5	-178.9	45	0	0	0	0	116.1	R187	R187-T189 VanDerWaalsContact C-N 3.3Å; R187-T189 PolarHBondContact O-N 2.9Å; R187-T189 VanDerWaalsContact O-N 3.09Å
190	Q	34.5	Very low	44.2	Very low	175 Å²	175	105.5 Å²	105.5	82%	0.818	51%	0.512	S	S	*	.	S	Bend	trans	-139.7	111	166.4	-72.5	-172.9	-24.5	0	0	110.7
191	Q	31.3	Very low	43.8	Very low	182 Å²	182	105 Å²	105	85%	0.85	51%	0.512	S	S	*	.			trans	52.5	114.3	171.8	-68.6	-179.8	-24.1	0	0	118	I193	Q191-I193 PolarHBondContact O-N 3.23Å
192	P	28.6	Very low	43.8	Very low	134 Å²	134	104.4 Å²	104.4	87%	0.87	51%	0.508	S	S	*	.			trans	-89.1	106.1	-179.4	33.9	-31.5	0	0	0	112.7
193	I	27.7	Very low	44	Very low	141 Å²	141	105.2 Å²	105.2	72%	0.723	52%	0.515	S	S	*	.			trans	-135.2	119.6	167	-57.2	-178.4	0	0	0	109.8	Q191	Q191-I193 PolarHBondContact O-N 3.23Å
194	H	33.3	Very low	44.6	Very low	173 Å²	173	102.8 Å²	102.8	80%	0.801	50%	0.504	S	S	*	.	S	Bend	trans	64.3	133.9	179.5	-68.3	-62.4	0	0	0	120.1	R196	H194-R196 PolarHBondContact O-N 3.14Å
195	D	32.1	Very low	46.1	Very low	161 Å²	161	101.2 Å²	101.2	86%	0.861	49%	0.492	S	S	*	.			trans	-69.7	79	179	-71.4	-68	0	0	0	114.2	K197	D195-K197 PolarHBondContact O-N 3.3Å
196	R	43	Very low	47.3	Very low	206 Å²	206	97.7 Å²	97.7	78%	0.777	47%	0.47	S	S	*	.			trans	-77.2	88.2	165.7	-62.9	-163.3	-174.3	-149	2.2	110.7	H194	H194-R196 PolarHBondContact O-N 3.14Å
197	K	52.6	Low	48.7	Very low	137 Å²	137	94 Å²	94	60%	0.596	46%	0.461	S	S	*	.			trans	-47.5	149	161.9	-63.9	177.7	-177.1	176.7	0	110.1	D195 L249	D195-K197 PolarHBondContact O-N 3.3Å; K197-L249 HydrophobicContact CB-CD2 3.5Å; K197-L249 VanDerWaalsContact CB-CD2 3.5Å; K197-L249 HydrophobicContact CD-CD1 4.4Å; K197-L249 HydrophobicContact CD-CD2 4.04Å; K197-L249 HydrophobicContact CG-CD2 4.4Å
198	S	61	Low	50.2	Low	4 Å²	4	87.3 Å²	87.3	3%	0.028	44%	0.444	C	S	.	.			trans	-64.4	135.6	-179.4	55.8	0	0	0	0	112.5	M1 S184 L250	M1-S198 WeakPolarHBondContact CE-OG 3.46Å; M1-S198 PolarHBondContact SD-OG 3.46Å; S184-S198 VanDerWaalsContact CB-CB 3.48Å; S184-S198 WeakPolarHBondContact OG-CB 3.22Å; S198-L250 WeakPolarHBondContact O-CB 3.48Å; S198-L250 PolarHBondContact O-N 3.49Å; S198-L250 VanDerWaalsContact OG-CB 3.24Å; S198-L250 WeakPolarHBondContact OG-CB 3.49Å
199	T	58.8	Low	51.6	Low	43 Å²	43	79.1 Å²	79.1	26%	0.264	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	151.2	-178.9	44.3	0	0	0	0	112.1	E247 T248 L249	T199-E247 WeakPolarHBondContact CB-OE2 3.16Å; T199-E247 HydrophobicContact CG2-CB 3.91Å; T199-E247 WeakPolarHBondContact CG2-OE2 3.3Å; T199-E247 PolarHBondContact OG1-OE2 3Å; T199-T248 CarbonylContact C-O 3.58Å; T199-T248 WeakPolarHBondContact CA-O 3.3Å; T199-L249 HydrophobicContact CG2-CD2 3.87Å; T199-L249 HydrophobicContact CG2-CG 4.48Å
200	I	67.5	Low	52.9	Low	2 Å²	2	76.2 Å²	76.2	1%	0.01	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.5	161.3	-45	-171.2	0	0	0	107.7	Y180 C204 I205 E247 T248 L250 F253	Y180-I200 HydrophobicContact CD1-CB 4.48Å; Y180-I200 HydrophobicContact CD1-CG1 4.43Å; Y180-I200 HydrophobicContact CD1-CG2 4.04Å; Y180-I200 HydrophobicContact CD2-CD1 4.18Å; Y180-I200 HydrophobicContact CD2-CG1 4.31Å; Y180-I200 HydrophobicContact CD2-CG2 3.87Å; Y180-I200 HydrophobicContact CE1-CG2 4.2Å; Y180-I200 HydrophobicContact CE2-CG2 4.03Å; Y180-I200 HydrophobicContact CG-CB 4.33Å; Y180-I200 HydrophobicContact CG-CD1 4.21Å; Y180-I200 HydrophobicContact CG-CG1 3.9Å; Y180-I200 HydrophobicContact CG-CG2 3.91Å; I200-C204 HydrophobicContact CG2-CB 4.11Å; I200-I205 HydrophobicContact CB-CD1 4.29Å; I200-I205 HydrophobicContact CB-CG1 4.17Å; I200-I205 HydrophobicContact CG2-CD1 4.29Å; I200-I205 HydrophobicContact CG2-CG1 3.63Å; I200-E247 CarbonylContact O-C 3.58Å; I200-E247 WeakPolarHBondContact O-CA 3.48Å; I200-T248 PolarHBondContact N-O 3.3Å; I200-T248 PolarHBondContact O-N 3.09Å; I200-L250 HydrophobicContact CD1-CD1 3.59Å; I200-L250 HydrophobicContact CG1-CD1 3.69Å; I200-F253 HydrophobicContact CD1-CD1 3.59Å; I200-F253 HydrophobicContact CD1-CE1 3.85Å; I200-F253 HydrophobicContact CD1-CG 4.15Å
201	S	65.2	Low	54.2	Low	18 Å²	18	70.1 Å²	70.1	13%	0.126	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	135.3	169.8	131.9	0	0	0	0	110.9	C203 C204 I205 I245	S201-C203 PolarHBondContact O-N 2.85Å; S201-C203 PolarHBondContact OG-N 2.84Å; S201-C203 PolarHBondContact OG-SG 2.78Å; S201-C204 VanDerWaalsContact O-CB 3.32Å; S201-C204 WeakPolarHBondContact O-CB 3.38Å; S201-C204 PolarHBondContact O-N 3.07Å; S201-C204 PolarHBondContact OG-N 2.94Å; S201-C204 PolarHBondContact OG-SG 3.16Å; S201-I205 PolarHBondContact O-N 3.05Å; S201-I245 WeakPolarHBondContact OG-CG2 3.35Å
202	N	66.9	Low	55.3	Low	4 Å²	4	68.8 Å²	68.8	2%	0.021	37%	0.37	C	S	.	.	H	α-helix	trans	-60.2	-30	179.5	-73.3	0.5	0	0	0	111.8	C204 I205 L206 L223 E246 T248	N202-C204 VanDerWaalsContact C-N 3.32Å; N202-C204 PolarHBondContact O-N 3.35Å; N202-I205 PolarHBondContact O-N 2.94Å; N202-L206 VanDerWaalsContact O-CG 3.25Å; N202-L206 WeakPolarHBondContact O-CG 3.5Å; N202-L206 PolarHBondContact O-N 3.01Å; N202-L223 HydrophobicContact CB-CD1 3.87Å; N202-L223 WeakPolarHBondContact ND2-CB 3.49Å; N202-E246 HydrophobicContact CB-CB 4.25Å; N202-E246 VanDerWaalsContact CB-O 3.29Å; N202-E246 WeakPolarHBondContact CB-O 3.27Å; N202-E246 PolarHBondContact N-O 3.4Å; N202-E246 WeakPolarHBondContact ND2-CB 3.48Å; N202-E246 PolarHBondContact ND2-OE2 3.45Å; N202-E246 PolarHBondContact OD1-O 3.29Å; N202-T248 PolarHBondContact OD1-N 2.73Å; N202-T248 PolarHBondContact OD1-OG1 3.45Å
203	C	58.8	Low	56.1	Low	41 Å²	41	63.5 Å²	63.5	28%	0.277	34%	0.34	S	S	.	.	H	α-helix	trans	-70.2	-28.1	175.2	82	0	0	0	0	113	S201 A207	S201-C203 PolarHBondContact O-N 2.85Å; S201-C203 PolarHBondContact OG-N 2.84Å; S201-C203 PolarHBondContact OG-SG 2.78Å; C203-A207 VanDerWaalsContact O-CB 3.29Å; C203-A207 WeakPolarHBondContact O-CB 3.26Å; C203-A207 PolarHBondContact O-N 3.4Å; C203-A207 VanDerWaalsContact O-N 3.08Å
204	C	64.2	Low	57.1	Low	17 Å²	17	64 Å²	64	12%	0.115	34%	0.344	C	S	.	.	H	α-helix	trans	-71.5	-40.3	173.6	-63.1	0	0	0	0	111.6	Y117 Y180 I200 S201 N202 A208	Y117-C204 HydrophobicContact CD2-CB 4.47Å; Y180-C204 HydrophobicContact CE1-CB 4.36Å; Y180-C204 HydrophobicContact CE2-CB 4.25Å; Y180-C204 VanDerWaalsContact OH-CB 3.22Å; Y180-C204 WeakPolarHBondContact OH-CB 3.09Å; Y180-C204 PolarHBondContact OH-SG 2.85Å; I200-C204 HydrophobicContact CG2-CB 4.11Å; S201-C204 VanDerWaalsContact O-CB 3.32Å; S201-C204 WeakPolarHBondContact O-CB 3.38Å; S201-C204 PolarHBondContact O-N 3.07Å; S201-C204 PolarHBondContact OG-N 2.94Å; S201-C204 PolarHBondContact OG-SG 3.16Å; N202-C204 VanDerWaalsContact C-N 3.32Å; N202-C204 PolarHBondContact O-N 3.35Å; C204-A208 PolarHBondContact O-N 2.91Å; C204-A208 VanDerWaalsContact O-N 3.09Å
205	I	68	Low	57.6	Low	1 Å²	1	61.9 Å²	61.9	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-60.7	-52.3	173.5	-54	172.9	0	0	0	109.9	I200 S201 N202 A207 A208 F209 L223 F253 L261	I200-I205 HydrophobicContact CB-CD1 4.29Å; I200-I205 HydrophobicContact CB-CG1 4.17Å; I200-I205 HydrophobicContact CG2-CD1 4.29Å; I200-I205 HydrophobicContact CG2-CG1 3.63Å; S201-I205 PolarHBondContact O-N 3.05Å; N202-I205 PolarHBondContact O-N 2.94Å; I205-A207 VanDerWaalsContact C-N 3.35Å; I205-A207 PolarHBondContact O-N 2.71Å; I205-A208 WeakPolarHBondContact O-CB 3.29Å; I205-A208 PolarHBondContact O-N 3.23Å; I205-A208 VanDerWaalsContact O-N 3.13Å; I205-F209 HydrophobicContact CG2-CE2 4.21Å; I205-F209 WeakPolarHBondContact O-CD2 3.26Å; I205-L223 HydrophobicContact CB-CD1 4.45Å; I205-L223 HydrophobicContact CD1-CD2 4.08Å; I205-L223 HydrophobicContact CG2-CD2 4.49Å; I205-F253 HydrophobicContact CD1-CD2 4.04Å; I205-F253 HydrophobicContact CD1-CE2 3.8Å; I205-F253 HydrophobicContact CD1-CZ 4.44Å; I205-F253 HydrophobicContact CG1-CE2 4.18Å; I205-F253 HydrophobicContact CG1-CZ 4.36Å; I205-F253 HydrophobicContact CG2-CE2 3.83Å; I205-F253 HydrophobicContact CG2-CZ 3.98Å; I205-L261 HydrophobicContact CG2-CD2 3.41Å; I205-L261 VanDerWaalsContact CG2-CD2 3.41Å
206	L	65.9	Low	58.6	Low	9 Å²	9	58.4 Å²	58.4	5%	0.047	32%	0.319	C	S	.	.	H	α-helix	trans	-57.1	-45.7	179.9	-68.2	172.4	0	0	0	112.5	N202 A208 F209 G210 L211 H219 R220 L223	N202-L206 VanDerWaalsContact O-CG 3.25Å; N202-L206 WeakPolarHBondContact O-CG 3.5Å; N202-L206 PolarHBondContact O-N 3.01Å; L206-A208 VanDerWaalsContact C-N 3.28Å; L206-A208 PolarHBondContact O-N 2.9Å; L206-F209 PolarHBondContact O-N 3.5Å; L206-G210 PolarHBondContact O-N 3.37Å; L206-L211 CarbonylContact C-O 3.32Å; L206-L211 HydrophobicContact CB-CB 4.25Å; L206-L211 HydrophobicContact CD2-CD1 4.17Å; L206-L211 WeakPolarHBondContact O-CB 3.32Å; L206-L211 PolarHBondContact O-N 3.04Å; L206-H219 HydrophobicContact CD2-CB 3.53Å; L206-R220 HydrophobicContact CD1-CG 4.4Å; L206-L223 HydrophobicContact CD2-CD1 4.08Å; L206-L223 HydrophobicContact CG-CD1 4.1Å
207	A	62.4	Low	58.9	Low	20 Å²	20	53.3 Å²	53.3	17%	0.165	31%	0.313	C	S	.	.	H	α-helix	trans	-72.6	-17.8	-178.9	0	0	0	0	0	113.6	Y117 C203 I205 F209 G210 L211	Y117-A207 VanDerWaalsContact CB-CB 3.46Å; Y117-A207 WeakPolarHBondContact O-CB 3.32Å; C203-A207 VanDerWaalsContact O-CB 3.29Å; C203-A207 WeakPolarHBondContact O-CB 3.26Å; C203-A207 PolarHBondContact O-N 3.4Å; C203-A207 VanDerWaalsContact O-N 3.08Å; I205-A207 VanDerWaalsContact C-N 3.35Å; I205-A207 PolarHBondContact O-N 2.71Å; A207-F209 VanDerWaalsContact C-N 3.31Å; A207-G210 PolarHBondContact O-N 3.08Å; A207-G210 VanDerWaalsContact O-N 3.08Å; A207-L211 PolarHBondContact N-O 3.42Å
208	A	64.9	Low	59.1	Low	41 Å²	41	49.2 Å²	49.2	34%	0.339	30%	0.301	S	S	.	.	H	α-helix	trans	-66.8	-31	166.4	0	0	0	0	0	112.8	Y117 L176 C204 I205 L206 G210	Y117-A208 HydrophobicContact CD1-CB 3.84Å; Y117-A208 HydrophobicContact CE1-CB 4Å; L176-A208 HydrophobicContact CD1-CB 4Å; L176-A208 HydrophobicContact CD2-CB 3.75Å; C204-A208 PolarHBondContact O-N 2.91Å; C204-A208 VanDerWaalsContact O-N 3.09Å; I205-A208 WeakPolarHBondContact O-CB 3.29Å; I205-A208 PolarHBondContact O-N 3.23Å; I205-A208 VanDerWaalsContact O-N 3.13Å; L206-A208 VanDerWaalsContact C-N 3.28Å; L206-A208 PolarHBondContact O-N 2.9Å; A208-G210 PolarHBondContact O-N 3.49Å
209	F	63.8	Low	59	Low	28 Å²	28	49.5 Å²	49.5	12%	0.123	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	4.9	169.2	-67.4	-82	0	0	0	113.3	I205 L206 A207 L211 F258 L261 F262	I205-F209 HydrophobicContact CG2-CE2 4.21Å; I205-F209 WeakPolarHBondContact O-CD2 3.26Å; L206-F209 PolarHBondContact O-N 3.5Å; A207-F209 VanDerWaalsContact C-N 3.31Å; F209-L211 VanDerWaalsContact C-N 3.27Å; F209-L211 HydrophobicContact CB-CD1 4.25Å; F209-L211 HydrophobicContact CB-CG 4.14Å; F209-L211 PolarHBondContact O-N 3.12Å; F209-F258 HydrophobicContact CE1-CE2 4.17Å; F209-F258 HydrophobicContact CE1-CZ 4.32Å; F209-F258 HydrophobicContact CE2-CD2 4.18Å; F209-F258 HydrophobicContact CE2-CE2 4.02Å; F209-F258 AromaticContact CZ-CD2 3.71Å; F209-F258 HydrophobicContact CZ-CD2 3.71Å; F209-F258 AromaticContact CZ-CE2 3.42Å; F209-F258 HydrophobicContact CZ-CE2 3.42Å; F209-F258 VanDerWaalsContact CZ-CE2 3.42Å; F209-F258 HydrophobicContact CZ-CG 4.47Å; F209-F258 AromaticContact CZ-CZ 3.97Å; F209-F258 HydrophobicContact CZ-CZ 3.97Å; F209-L261 HydrophobicContact CD2-CD2 4.1Å; F209-L261 HydrophobicContact CD2-CG 4.4Å; F209-L261 HydrophobicContact CE2-CD2 3.55Å; F209-L261 HydrophobicContact CE2-CG 3.92Å; F209-L261 HydrophobicContact CZ-CD2 4.31Å; F209-L261 HydrophobicContact CZ-CG 4.3Å; F209-F262 HydrophobicContact CE1-CB 3.85Å; F209-F262 HydrophobicContact CE1-CD2 4.12Å; F209-F262 HydrophobicContact CZ-CB 4.32Å
210	G	59.7	Low	58.9	Low	63 Å²	63	53 Å²	53	65%	0.649	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	17.7	-175.7	0	0	0	0	0	114.1	L206 A207 A208	L206-G210 PolarHBondContact O-N 3.37Å; A207-G210 PolarHBondContact O-N 3.08Å; A207-G210 VanDerWaalsContact O-N 3.08Å; A208-G210 PolarHBondContact O-N 3.49Å
211	L	61.7	Low	58.5	Low	48 Å²	48	55.7 Å²	55.7	25%	0.251	33%	0.33	S	S	.	.			trans	-90.9	109.8	176.4	-55.5	175.1	0	0	0	109.2	L206 A207 F209 G213	L206-L211 CarbonylContact C-O 3.32Å; L206-L211 HydrophobicContact CB-CB 4.25Å; L206-L211 HydrophobicContact CD2-CD1 4.17Å; L206-L211 WeakPolarHBondContact O-CB 3.32Å; L206-L211 PolarHBondContact O-N 3.04Å; A207-L211 PolarHBondContact N-O 3.42Å; F209-L211 VanDerWaalsContact C-N 3.27Å; F209-L211 HydrophobicContact CB-CD1 4.25Å; F209-L211 HydrophobicContact CB-CG 4.14Å; F209-L211 PolarHBondContact O-N 3.12Å; L211-G213 PolarHBondContact O-N 3.26Å
212	E	54.5	Low	58.5	Low	153 Å²	153	57.3 Å²	57.3	72%	0.715	33%	0.333	S	S	*	.			trans	-63.3	134.2	173.7	-66	-177.2	167.6	0	0	110.1	N214 L215	E212-N214 PolarHBondContact O-N 2.73Å; E212-L215 PolarHBondContact O-N 2.91Å
213	G	46.3	Very low	58.3	Low	24 Å²	24	57.1 Å²	57.1	25%	0.247	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	5.2	-158.7	0	0	0	0	0	118.3	L211 R220	L211-G213 PolarHBondContact O-N 3.26Å; G213-R220 PolarHBondContact O-NH2 2.97Å
214	N	47.5	Very low	58.4	Low	152 Å²	152	57.4 Å²	57.4	81%	0.813	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-9.3	-175.6	-65.4	-12.4	0	0	0	114.1	E212	E212-N214 PolarHBondContact O-N 2.73Å
215	L	45.3	Very low	58.3	Low	127 Å²	127	64.1 Å²	64.1	67%	0.665	37%	0.365	S	S	*	.	S	Bend	trans	-96.9	-15.5	-156.5	-96.2	167.3	0	0	0	118.6	E212	E212-L215 PolarHBondContact O-N 2.91Å
216	L	52.8	Low	57.8	Low	89 Å²	89	65.7 Å²	65.7	47%	0.466	38%	0.375	S	S	.	.			trans	-144.9	109.4	177.8	-85.5	175.4	0	0	0	112.4	S218 H219	L216-S218 PolarHBondContact O-N 3.47Å; L216-H219 WeakPolarHBondContact CD1-NE2 3.23Å; L216-H219 PolarHBondContact O-N 2.7Å
217	P	48.7	Very low	57.2	Low	99 Å²	99	66 Å²	66	64%	0.643	38%	0.378	S	S	*	.	H	α-helix	trans	-56.5	-36.3	173.7	-27	35.6	0	0	0	113.2	H219 R220 S221	P217-H219 VanDerWaalsContact C-N 3.26Å; P217-H219 PolarHBondContact O-N 3.25Å; P217-R220 PolarHBondContact O-N 3.16Å; P217-S221 PolarHBondContact O-N 3.24Å; P217-S221 PolarHBondContact O-OG 3.13Å
218	S	56.7	Low	56.3	Low	51 Å²	51	68.8 Å²	68.8	36%	0.357	40%	0.395	S	S	.	.	H	α-helix	trans	-56.5	-35.4	-178.8	55.5	0	0	0	0	113.8	L216 Y222	L216-S218 PolarHBondContact O-N 3.47Å; S218-Y222 VanDerWaalsContact O-CB 3.23Å; S218-Y222 WeakPolarHBondContact O-CB 3.4Å; S218-Y222 PolarHBondContact O-N 3.18Å
219	H	58.7	Low	55.2	Low	10 Å²	10	72 Å²	72	5%	0.046	41%	0.405	C	S	.	.	H	α-helix	trans	-78.8	-25.7	178.5	-63.8	-48.3	0	0	0	113.3	L206 L216 P217 L223 H264	L206-H219 HydrophobicContact CD2-CB 3.53Å; L216-H219 WeakPolarHBondContact CD1-NE2 3.23Å; L216-H219 PolarHBondContact O-N 2.7Å; P217-H219 VanDerWaalsContact C-N 3.26Å; P217-H219 PolarHBondContact O-N 3.25Å; H219-L223 WeakPolarHBondContact O-CB 3.49Å; H219-L223 WeakPolarHBondContact O-CG 3.46Å; H219-L223 PolarHBondContact O-N 3.29Å; H219-L223 VanDerWaalsContact O-N 3.11Å; H219-H264 AromaticContact CE1-CD2 3.59Å; H219-H264 AromaticContact CE1-CG 3.96Å; H219-H264 AromaticContact CE1-NE2 3.68Å; H219-H264 AromaticContact ND1-CD2 3.12Å; H219-H264 PolarHBondContact ND1-CD2 2.89Å; H219-H264 AromaticContact ND1-CG 3.92Å; H219-H264 AromaticContact ND1-NE2 3.27Å; H219-H264 PolarHBondContact ND1-NE2 2.85Å
220	R	57.6	Low	53.9	Low	115 Å²	115	77.2 Å²	77.2	43%	0.434	43%	0.434	S	S	.	.	H	α-helix	trans	-70.5	-51.3	167.3	-67.7	-165.8	-173.6	-167.2	4.7	110	L206 G213 P217 Y222 L223 S224	L206-R220 HydrophobicContact CD1-CG 4.4Å; G213-R220 PolarHBondContact O-NH2 2.97Å; P217-R220 PolarHBondContact O-N 3.16Å; R220-Y222 VanDerWaalsContact C-N 3.27Å; R220-Y222 PolarHBondContact O-N 3.12Å; R220-L223 PolarHBondContact O-N 3.25Å; R220-L223 VanDerWaalsContact O-N 3.09Å; R220-S224 WeakPolarHBondContact O-CB 3.09Å; R220-S224 PolarHBondContact O-N 2.55Å
221	S	59.3	Low	52.8	Low	60 Å²	60	79.7 Å²	79.7	42%	0.42	44%	0.437	S	S	.	.	H	α-helix	trans	-52.1	-45	174.9	-57.9	0	0	0	0	112.1	P217 S224 E225	P217-S221 PolarHBondContact O-N 3.24Å; P217-S221 PolarHBondContact O-OG 3.13Å; S221-S224 WeakPolarHBondContact O-CB 3.4Å; S221-S224 PolarHBondContact O-N 3.14Å; S221-E225 WeakPolarHBondContact O-CB 3.44Å; S221-E225 WeakPolarHBondContact O-CG 3.24Å; S221-E225 PolarHBondContact O-N 2.89Å
222	Y	64.8	Low	51.5	Low	51 Å²	51	83.3 Å²	83.3	20%	0.2	46%	0.456	C	S	.	.	H	α-helix	trans	-65.8	-42	177.7	-173.2	-105.4	0	0	0	113.3	S218 R220 S224 E225 C226 D260 L261 H264	S218-Y222 VanDerWaalsContact O-CB 3.23Å; S218-Y222 WeakPolarHBondContact O-CB 3.4Å; S218-Y222 PolarHBondContact O-N 3.18Å; R220-Y222 VanDerWaalsContact C-N 3.27Å; R220-Y222 PolarHBondContact O-N 3.12Å; Y222-S224 VanDerWaalsContact C-N 3.3Å; Y222-S224 PolarHBondContact O-N 3.04Å; Y222-E225 PolarHBondContact O-N 2.81Å; Y222-C226 VanDerWaalsContact CZ-SG 3.51Å; Y222-C226 WeakPolarHBondContact O-CB 3.35Å; Y222-C226 PolarHBondContact O-N 2.94Å; Y222-C226 PolarHBondContact O-SG 3.16Å; Y222-D260 VanDerWaalsContact OH-CB 3.22Å; Y222-D260 WeakPolarHBondContact OH-CB 3.46Å; Y222-L261 HydrophobicContact CD1-CD1 4.14Å; Y222-L261 HydrophobicContact CE1-CB 4.39Å; Y222-H264 AromaticContact CD1-CD2 3.74Å; Y222-H264 AromaticContact CG-CD2 3.58Å
223	L	62.9	Low	50.4	Low	1 Å²	1	83.9 Å²	83.9	1%	0.005	46%	0.464	C	S	.	.	H	α-helix	trans	-67.7	-30.5	174.1	-78.9	169.9	0	0	0	112.7	N202 I205 L206 H219 R220 S227 L261	N202-L223 HydrophobicContact CB-CD1 3.87Å; N202-L223 WeakPolarHBondContact ND2-CB 3.49Å; I205-L223 HydrophobicContact CB-CD1 4.45Å; I205-L223 HydrophobicContact CD1-CD2 4.08Å; I205-L223 HydrophobicContact CG2-CD2 4.49Å; L206-L223 HydrophobicContact CD2-CD1 4.08Å; L206-L223 HydrophobicContact CG-CD1 4.1Å; H219-L223 WeakPolarHBondContact O-CB 3.49Å; H219-L223 WeakPolarHBondContact O-CG 3.46Å; H219-L223 PolarHBondContact O-N 3.29Å; H219-L223 VanDerWaalsContact O-N 3.11Å; R220-L223 PolarHBondContact O-N 3.25Å; R220-L223 VanDerWaalsContact O-N 3.09Å; L223-S227 VanDerWaalsContact O-CB 3.32Å; L223-S227 WeakPolarHBondContact O-CB 3.47Å; L223-S227 PolarHBondContact O-N 2.73Å; L223-S227 VanDerWaalsContact O-N 3.12Å; L223-S227 PolarHBondContact O-OG 3.09Å; L223-L261 HydrophobicContact CD2-CD2 4.04Å
224	S	60.9	Low	50	Low	47 Å²	47	87.7 Å²	87.7	33%	0.329	48%	0.483	S	S	.	.	H	α-helix	trans	-67.7	-48.9	172.1	-145.6	0	0	0	0	110.7	R220 S221 Y222 C226 S227 E246	R220-S224 WeakPolarHBondContact O-CB 3.09Å; R220-S224 PolarHBondContact O-N 2.55Å; S221-S224 WeakPolarHBondContact O-CB 3.4Å; S221-S224 PolarHBondContact O-N 3.14Å; Y222-S224 VanDerWaalsContact C-N 3.3Å; Y222-S224 PolarHBondContact O-N 3.04Å; S224-C226 VanDerWaalsContact C-N 3.28Å; S224-C226 PolarHBondContact O-N 2.98Å; S224-S227 PolarHBondContact O-N 2.64Å; S224-E246 WeakPolarHBondContact CB-OE1 3.38Å; S224-E246 PolarHBondContact OG-OE1 3.15Å
225	E	62	Low	49.1	Very low	158 Å²	158	88.6 Å²	88.6	74%	0.738	49%	0.487	S	S	*	.	H	α-helix	trans	-60.2	-33.3	173.7	-74.4	170.7	-157.8	0	0	112.9	S221 Y222	S221-E225 WeakPolarHBondContact O-CB 3.44Å; S221-E225 WeakPolarHBondContact O-CG 3.24Å; S221-E225 PolarHBondContact O-N 2.89Å; Y222-E225 PolarHBondContact O-N 2.81Å
226	C	56.3	Low	48.7	Very low	34 Å²	34	88.1 Å²	88.1	23%	0.23	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-4.9	174.5	-68.5	0	0	0	0	114.4	Y222 S224 P228 V257	Y222-C226 VanDerWaalsContact CZ-SG 3.51Å; Y222-C226 WeakPolarHBondContact O-CB 3.35Å; Y222-C226 PolarHBondContact O-N 2.94Å; Y222-C226 PolarHBondContact O-SG 3.16Å; S224-C226 VanDerWaalsContact C-N 3.28Å; S224-C226 PolarHBondContact O-N 2.98Å; C226-P228 VanDerWaalsContact O-CD 3.23Å; C226-P228 WeakPolarHBondContact O-CD 3.23Å; C226-V257 HydrophobicContact CB-CG1 4.21Å
227	S	53.7	Low	47.5	Very low	16 Å²	16	90.3 Å²	90.3	11%	0.112	50%	0.497	C	S	.	.			trans	-100.1	102.2	178.5	-68.8	0	0	0	0	110.2	L223 S224 I229 T248	L223-S227 VanDerWaalsContact O-CB 3.32Å; L223-S227 WeakPolarHBondContact O-CB 3.47Å; L223-S227 PolarHBondContact O-N 2.73Å; L223-S227 VanDerWaalsContact O-N 3.12Å; L223-S227 PolarHBondContact O-OG 3.09Å; S224-S227 PolarHBondContact O-N 2.64Å; S227-I229 PolarHBondContact O-N 3.01Å; S227-T248 PolarHBondContact OG-OG1 2.85Å
228	P	44.3	Very low	46.6	Very low	78 Å²	78	95.1 Å²	95.1	51%	0.506	51%	0.51	S	S	.	.			trans	-72.7	82.6	169.2	31.1	-33.6	0	0	0	108.9	C226 N252	C226-P228 VanDerWaalsContact O-CD 3.23Å; C226-P228 WeakPolarHBondContact O-CD 3.23Å; P228-N252 VanDerWaalsContact CG-ND2 3.31Å; P228-N252 WeakPolarHBondContact CG-ND2 3.44Å
229	I	41.8	Very low	45.2	Very low	108 Å²	108	97.7 Å²	97.7	55%	0.554	53%	0.528	S	S	*	.			trans	-72.4	121.2	160.2	-58.8	176.2	0	0	0	105.5	S227 T231	S227-I229 PolarHBondContact O-N 3.01Å; I229-T231 VanDerWaalsContact C-N 3.32Å; I229-T231 HydrophobicContact CB-CG2 4.35Å; I229-T231 HydrophobicContact CG2-CG2 4.01Å; I229-T231 PolarHBondContact O-N 3.49Å
230	N	37.1	Very low	43.9	Very low	137 Å²	137	101.8 Å²	101.8	73%	0.733	56%	0.558	S	S	*	*			trans	-66	96.9	166.4	-78.1	30.2	0	0	0	107.5	D232	N230-D232 PolarHBondContact O-N 2.96Å
231	T	36.3	Very low	42.6	Very low	115 Å²	115	102.4 Å²	102.4	71%	0.706	58%	0.58	S	S	*	*			trans	-82.1	8	176.7	49.9	0	0	0	0	113.1	I229 N233	I229-T231 VanDerWaalsContact C-N 3.32Å; I229-T231 HydrophobicContact CB-CG2 4.35Å; I229-T231 HydrophobicContact CG2-CG2 4.01Å; I229-T231 PolarHBondContact O-N 3.49Å; T231-N233 PolarHBondContact O-N 2.83Å
232	D	33.6	Very low	41.2	Very low	124 Å²	124	105.8 Å²	105.8	66%	0.663	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	117.3	168.8	-58.5	-35.4	0	0	0	109.3	N230	N230-D232 PolarHBondContact O-N 2.96Å
233	N	32.5	Very low	39.6	Very low	165 Å²	165	107.7 Å²	107.7	88%	0.882	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.6	30.9	170.4	-49.9	-36.5	0	0	0	119.1	T231	T231-N233 PolarHBondContact O-N 2.83Å
234	V	36.9	Very low	38.4	Very low	105 Å²	105	114.2 Å²	114.2	64%	0.636	65%	0.654	S	S	*	*			trans	-133.7	100.3	158.9	-156.6	0	0	0	0	112.6	I236	V234-I236 HydrophobicContact CB-CG1 4.31Å; V234-I236 HydrophobicContact CG1-CD1 3.97Å; V234-I236 HydrophobicContact CG1-CG1 3.54Å; V234-I236 PolarHBondContact O-N 2.92Å
235	N	28.5	Very low	38	Very low	170 Å²	170	116.5 Å²	116.5	91%	0.909	66%	0.662	S	S	*	*			trans	-67.9	110.2	160.6	-81.5	-17.7	0	0	0	108.6
236	I	36.8	Very low	37.9	Very low	117 Å²	117	112 Å²	112	60%	0.6	64%	0.641	S	S	*	*			trans	-115.9	110.9	168.2	-54.8	-176	0	0	0	107.4	V234 H238	V234-I236 HydrophobicContact CB-CG1 4.31Å; V234-I236 HydrophobicContact CG1-CD1 3.97Å; V234-I236 HydrophobicContact CG1-CG1 3.54Å; V234-I236 PolarHBondContact O-N 2.92Å; I236-H238 PolarHBondContact O-N 3.23Å
237	D	29	Very low	38.3	Very low	136 Å²	136	115.5 Å²	115.5	73%	0.727	65%	0.654	S	S	*	*			trans	-60.5	122	177.3	-72.9	-53.9	0	0	0	111	S239	D237-S239 PolarHBondContact O-N 3.26Å
238	H	28.8	Very low	39	Very low	199 Å²	199	114.9 Å²	114.9	92%	0.921	65%	0.649	S	S	*	*	S	Bend	trans	-77	64.8	-180	-74.2	-61.2	0	0	0	112.1	I236	I236-H238 PolarHBondContact O-N 3.23Å
239	S	27.7	Very low	40.2	Very low	106 Å²	106	113.3 Å²	113.3	74%	0.741	64%	0.636	S	S	*	*			trans	-140.6	30.3	-173.6	59.6	0	0	0	0	115.4	D237	D237-S239 PolarHBondContact O-N 3.26Å
240	S	31.9	Very low	41.7	Very low	96 Å²	96	108.2 Å²	108.2	67%	0.671	61%	0.61	S	S	*	*			trans	-131.3	123.7	166.9	64.9	0	0	0	0	112.8	N242	S240-N242 PolarHBondContact O-N 3.06Å; S240-N242 VanDerWaalsContact O-N 3.11Å
241	S	29.4	Very low	43.3	Very low	128 Å²	128	104.3 Å²	104.3	90%	0.895	59%	0.589	S	S	*	*			trans	-83.4	27.2	-171.5	48.6	0	0	0	0	114.7
242	N	30.7	Very low	45.2	Very low	131 Å²	131	101.3 Å²	101.3	70%	0.701	57%	0.569	S	S	*	*	S	Bend	trans	-122.6	108.9	-174.7	-86.4	-39.2	0	0	0	113.3	S240 N244	S240-N242 PolarHBondContact O-N 3.06Å; S240-N242 VanDerWaalsContact O-N 3.11Å; N242-N244 VanDerWaalsContact C-N 3.32Å; N242-N244 PolarHBondContact O-N 2.81Å
243	A	30.9	Very low	47.4	Very low	90 Å²	90	95.4 Å²	95.4	74%	0.744	54%	0.537	S	S	*	.			trans	50.4	25.3	138.5	0	0	0	0	0	120.7	I245	A243-I245 PolarHBondContact O-N 3.48Å
244	N	37.5	Very low	49.8	Very low	139 Å²	139	88.3 Å²	88.3	74%	0.743	50%	0.5	S	S	*	.			trans	-65	99.8	162.8	-84.7	-9.9	0	0	0	109.4	N242 E246	N242-N244 VanDerWaalsContact C-N 3.32Å; N242-N244 PolarHBondContact O-N 2.81Å; N244-E246 PolarHBondContact O-N 2.89Å
245	I	52.4	Low	52.1	Low	95 Å²	95	83.7 Å²	83.7	49%	0.487	47%	0.471	S	S	.	.			trans	-76.7	112.3	173.5	-57.1	173.8	0	0	0	107	S201 A243 E247	S201-I245 WeakPolarHBondContact OG-CG2 3.35Å; A243-I245 PolarHBondContact O-N 3.48Å; I245-E247 PolarHBondContact O-N 3.22Å
246	E	60	Low	54.8	Low	64 Å²	64	76.5 Å²	76.5	30%	0.299	43%	0.433	S	S	.	.			trans	-54.6	135.9	171.9	-64.1	171.8	135.5	0	0	110.4	N202 S224 N244	N202-E246 HydrophobicContact CB-CB 4.25Å; N202-E246 VanDerWaalsContact CB-O 3.29Å; N202-E246 WeakPolarHBondContact CB-O 3.27Å; N202-E246 PolarHBondContact N-O 3.4Å; N202-E246 WeakPolarHBondContact ND2-CB 3.48Å; N202-E246 PolarHBondContact ND2-OE2 3.45Å; N202-E246 PolarHBondContact OD1-O 3.29Å; S224-E246 WeakPolarHBondContact CB-OE1 3.38Å; S224-E246 PolarHBondContact OG-OE1 3.15Å; N244-E246 PolarHBondContact O-N 2.89Å
247	E	64.1	Low	57	Low	107 Å²	107	72.1 Å²	72.1	50%	0.5	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	112.5	-174.7	-90.1	-175.2	-161.9	0	0	110.4	T199 I200 I245	T199-E247 WeakPolarHBondContact CB-OE2 3.16Å; T199-E247 HydrophobicContact CG2-CB 3.91Å; T199-E247 WeakPolarHBondContact CG2-OE2 3.3Å; T199-E247 PolarHBondContact OG1-OE2 3Å; I200-E247 CarbonylContact O-C 3.58Å; I200-E247 WeakPolarHBondContact O-CA 3.48Å; I245-E247 PolarHBondContact O-N 3.22Å
248	T	68	Low	59.7	Low	3 Å²	3	65.9 Å²	65.9	2%	0.018	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	127.6	174.1	-59.7	0	0	0	0	109.6	T199 I200 N202 S227 F253	T199-T248 CarbonylContact C-O 3.58Å; T199-T248 WeakPolarHBondContact CA-O 3.3Å; I200-T248 PolarHBondContact N-O 3.3Å; I200-T248 PolarHBondContact O-N 3.09Å; N202-T248 PolarHBondContact OD1-N 2.73Å; N202-T248 PolarHBondContact OD1-OG1 3.45Å; S227-T248 PolarHBondContact OG-OG1 2.85Å; T248-F253 HydrophobicContact CG2-CB 4.14Å; T248-F253 HydrophobicContact CG2-CD2 4.37Å
249	L	71.3	Confident	62.5	Low	44 Å²	44	56.4 Å²	56.4	23%	0.23	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	133.7	171.7	-73.7	168.4	0	0	0	111.4	K197 T199 D251 N252 F253	K197-L249 HydrophobicContact CB-CD2 3.5Å; K197-L249 VanDerWaalsContact CB-CD2 3.5Å; K197-L249 HydrophobicContact CD-CD1 4.4Å; K197-L249 HydrophobicContact CD-CD2 4.04Å; K197-L249 HydrophobicContact CG-CD2 4.4Å; T199-L249 HydrophobicContact CG2-CD2 3.87Å; T199-L249 HydrophobicContact CG2-CG 4.48Å; L249-D251 VanDerWaalsContact C-N 3.32Å; L249-D251 PolarHBondContact O-N 2.84Å; L249-N252 HydrophobicContact CB-CB 4.22Å; L249-N252 WeakPolarHBondContact O-CA 3.35Å; L249-N252 WeakPolarHBondContact O-CB 3.4Å; L249-N252 PolarHBondContact O-N 3.2Å; L249-F253 PolarHBondContact O-N 3.48Å
250	L	72.8	Confident	65.2	Low	1 Å²	1	53.5 Å²	53.5	1%	0.005	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-31.3	-174.2	-169.8	63.6	0	0	0	113.7	M1 N5 I177 S181 S198 I200 N252 F253	M1-L250 HydrophobicContact SD-CD2 4.06Å; N5-L250 PolarHBondContact ND2-O 2.86Å; I177-L250 HydrophobicContact CB-CD1 4.45Å; I177-L250 HydrophobicContact CG1-CD1 4.01Å; I177-L250 HydrophobicContact CG2-CD1 4.34Å; I177-L250 HydrophobicContact CG2-CD2 4.43Å; S181-L250 VanDerWaalsContact CA-CD2 3.45Å; S198-L250 WeakPolarHBondContact O-CB 3.48Å; S198-L250 PolarHBondContact O-N 3.49Å; S198-L250 VanDerWaalsContact OG-CB 3.24Å; S198-L250 WeakPolarHBondContact OG-CB 3.49Å; I200-L250 HydrophobicContact CD1-CD1 3.59Å; I200-L250 HydrophobicContact CG1-CD1 3.69Å; L250-N252 PolarHBondContact O-N 3.15Å; L250-F253 PolarHBondContact O-N 2.89Å
251	D	70.8	Confident	67.6	Low	55 Å²	55	48.9 Å²	48.9	29%	0.294	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-26.4	172.8	-59.9	-57.7	0	0	0	111.7	M1 L249	M1-D251 WeakPolarHBondContact CG-OD1 3.09Å; L249-D251 VanDerWaalsContact C-N 3.32Å; L249-D251 PolarHBondContact O-N 2.84Å
252	N	75.1	Confident	70.2	Confident	52 Å²	52	43.7 Å²	43.7	28%	0.278	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-22.4	176.6	-60.8	-11.9	0	0	0	112.4	P228 L249 L250 T254	P228-N252 VanDerWaalsContact CG-ND2 3.31Å; P228-N252 WeakPolarHBondContact CG-ND2 3.44Å; L249-N252 HydrophobicContact CB-CB 4.22Å; L249-N252 WeakPolarHBondContact O-CA 3.35Å; L249-N252 WeakPolarHBondContact O-CB 3.4Å; L249-N252 PolarHBondContact O-N 3.2Å; L250-N252 PolarHBondContact O-N 3.15Å; N252-T254 PolarHBondContact O-N 2.89Å
253	F	79.3	Confident	72.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.218	C	C	.	.			trans	-75.8	57.5	177.6	-168.2	-114.2	0	0	0	112.1	W173 L176 I177 I200 I205 T248 L249 L250 V257 F258	W173-F253 AromaticContact CD1-CD1 4Å; W173-F253 AromaticContact CD1-CE1 3.64Å; W173-F253 AromaticContact NE1-CD1 3.76Å; W173-F253 AromaticContact NE1-CE1 3.91Å; W173-F253 PolarHBondContact NE1-O 2.96Å; L176-F253 HydrophobicContact CB-CE1 4.42Å; L176-F253 HydrophobicContact CD1-CE1 4.19Å; L176-F253 HydrophobicContact CD1-CZ 4.21Å; I177-F253 HydrophobicContact CG1-CD1 4.43Å; I200-F253 HydrophobicContact CD1-CD1 3.59Å; I200-F253 HydrophobicContact CD1-CE1 3.85Å; I200-F253 HydrophobicContact CD1-CG 4.15Å; I205-F253 HydrophobicContact CD1-CD2 4.04Å; I205-F253 HydrophobicContact CD1-CE2 3.8Å; I205-F253 HydrophobicContact CD1-CZ 4.44Å; I205-F253 HydrophobicContact CG1-CE2 4.18Å; I205-F253 HydrophobicContact CG1-CZ 4.36Å; I205-F253 HydrophobicContact CG2-CE2 3.83Å; I205-F253 HydrophobicContact CG2-CZ 3.98Å; T248-F253 HydrophobicContact CG2-CB 4.14Å; T248-F253 HydrophobicContact CG2-CD2 4.37Å; L249-F253 PolarHBondContact O-N 3.48Å; L250-F253 PolarHBondContact O-N 2.89Å; F253-V257 HydrophobicContact CD2-CG1 4.43Å; F253-F258 HydrophobicContact CE1-CD2 4.47Å; F253-F258 HydrophobicContact CE2-CB 4.49Å; F253-F258 HydrophobicContact CZ-CB 4.24Å; F253-F258 AromaticContact CZ-CD2 3.92Å; F253-F258 HydrophobicContact CZ-CD2 3.92Å
254	T	83.9	Confident	74.9	Confident	17 Å²	17	38.6 Å²	38.6	10%	0.104	20%	0.197	C	C	.	.			trans	-66.9	163.1	177.1	68.4	0	0	0	0	111.6	N252 D256 V257 F258	N252-T254 PolarHBondContact O-N 2.89Å; T254-D256 PolarHBondContact O-N 2.83Å; T254-V257 PolarHBondContact O-N 3.1Å; T254-V257 VanDerWaalsContact O-N 3.16Å; T254-F258 PolarHBondContact O-N 3.34Å; T254-F258 VanDerWaalsContact O-N 3.12Å
255	F	85.3	Confident	76.7	Confident	7 Å²	7	32.8 Å²	32.8	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-31.9	178.2	179.8	-107.6	0	0	0	112.5	L166 L169 W170 W173 F258 F259	L166-F255 HydrophobicContact CD1-CE1 4.16Å; L166-F255 HydrophobicContact CD1-CZ 4.05Å; L169-F255 HydrophobicContact CB-CE2 4.23Å; L169-F255 HydrophobicContact CB-CZ 4.26Å; W170-F255 HydrophobicContact CB-CE2 4.34Å; W170-F255 AromaticContact CD1-CD1 3.81Å; W170-F255 AromaticContact CD1-CD2 3.31Å; W170-F255 AromaticContact CD1-CE1 3.97Å; W170-F255 AromaticContact CD1-CE2 3.5Å; W170-F255 AromaticContact CD1-CG 3.46Å; W170-F255 VanDerWaalsContact CD1-CG 3.46Å; W170-F255 AromaticContact CD1-CZ 3.82Å; W170-F255 HydrophobicContact CD2-CE1 4.2Å; W170-F255 HydrophobicContact CD2-CE2 4.49Å; W170-F255 HydrophobicContact CD2-CZ 4.13Å; W170-F255 AromaticContact CE2-CD1 3.79Å; W170-F255 AromaticContact CE2-CE1 3.7Å; W170-F255 HydrophobicContact CG-CD2 4.11Å; W170-F255 HydrophobicContact CG-CE1 4.35Å; W170-F255 AromaticContact CG-CE2 3.84Å; W170-F255 HydrophobicContact CG-CE2 3.84Å; W170-F255 HydrophobicContact CG-CG 4.47Å; W170-F255 AromaticContact CG-CZ 3.96Å; W170-F255 HydrophobicContact CG-CZ 3.96Å; W170-F255 HydrophobicContact CZ2-CD1 4.29Å; W170-F255 HydrophobicContact CZ2-CE1 4.16Å; W170-F255 AromaticContact NE1-CD1 3.22Å; W170-F255 AromaticContact NE1-CD2 3.65Å; W170-F255 AromaticContact NE1-CE1 3.53Å; W170-F255 AromaticContact NE1-CE2 3.94Å; W170-F255 AromaticContact NE1-CG 3.27Å; W170-F255 VanDerWaalsContact NE1-CG 3.27Å; W170-F255 AromaticContact NE1-CZ 3.87Å; W173-F255 HydrophobicContact CB-CD2 3.96Å; W173-F255 HydrophobicContact CB-CE2 4.41Å; W173-F255 HydrophobicContact CD2-CB 3.92Å; W173-F255 AromaticContact CD2-CD2 3.91Å; W173-F255 HydrophobicContact CD2-CD2 3.91Å; W173-F255 HydrophobicContact CD2-CG 4.42Å; W173-F255 VanDerWaalsContact CE2-N 3.35Å; W173-F255 HydrophobicContact CE3-CB 3.95Å; W173-F255 AromaticContact CE3-CD2 3.99Å; W173-F255 HydrophobicContact CE3-CD2 3.99Å; W173-F255 HydrophobicContact CE3-CG 4.38Å; W173-F255 AromaticContact CG-CD2 3.93Å; W173-F255 HydrophobicContact CG-CD2 3.93Å; W173-F255 HydrophobicContact CH2-CB 4.02Å; W173-F255 HydrophobicContact CZ2-CB 3.99Å; W173-F255 HydrophobicContact CZ3-CB 3.99Å; F255-F258 AromaticContact CD2-CD1 3.92Å; F255-F258 HydrophobicContact CD2-CD1 3.92Å; F255-F258 AromaticContact CE2-CD1 3.79Å; F255-F258 HydrophobicContact CE2-CD1 3.79Å; F255-F258 HydrophobicContact CE2-CE1 4.13Å; F255-F258 PolarHBondContact O-N 2.88Å; F255-F259 HydrophobicContact CE1-CB 4.3Å; F255-F259 HydrophobicContact CE1-CD2 4.33Å; F255-F259 HydrophobicContact CZ-CB 4.43Å; F255-F259 HydrophobicContact CZ-CD2 4.11Å; F255-F259 WeakPolarHBondContact O-CB 3.46Å; F255-F259 PolarHBondContact O-N 3.34Å
256	D	85.8	Confident	77.9	Confident	20 Å²	20	34.4 Å²	34.4	11%	0.107	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-45.6	176.3	-59.7	-38.7	0	0	0	111.5	T254 F258 F259 D260 T430 R447	T254-D256 PolarHBondContact O-N 2.83Å; D256-F258 VanDerWaalsContact C-N 3.28Å; D256-F258 PolarHBondContact O-N 3.2Å; D256-F259 PolarHBondContact O-N 2.88Å; D256-F259 VanDerWaalsContact O-N 3.09Å; D256-D260 WeakPolarHBondContact O-CB 3.47Å; D256-D260 PolarHBondContact O-N 3.18Å; D256-T430 HydrophobicContact CB-CG2 4.45Å; D256-R447 IonicContact OD1-CZ 2.84Å; D256-R447 VanDerWaalsContact OD1-CZ 3.31Å; D256-R447 IonicContact OD1-NH1 3.77Å; D256-R447 PolarHBondContact OD1-NH1 2.81Å; D256-R447 IonicContact OD1-NH2 3.64Å; D256-R447 PolarHBondContact OD1-NH2 3.19Å
257	V	82.9	Confident	78.7	Confident	24 Å²	24	35.7 Å²	35.7	15%	0.145	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-38.6	174.6	175.6	0	0	0	0	111.5	C226 F253 T254 L261	C226-V257 HydrophobicContact CB-CG1 4.21Å; F253-V257 HydrophobicContact CD2-CG1 4.43Å; T254-V257 PolarHBondContact O-N 3.1Å; T254-V257 VanDerWaalsContact O-N 3.16Å; V257-L261 VanDerWaalsContact O-CB 3.31Å; V257-L261 WeakPolarHBondContact O-CB 3.39Å; V257-L261 PolarHBondContact O-N 3.11Å
258	F	85.2	Confident	79.5	Confident	5 Å²	5	33.7 Å²	33.7	2%	0.022	17%	0.17	C	C	.	.	H	α-helix	trans	-66.3	-39.9	173.8	171.4	-91.9	0	0	0	112.9	L169 Q172 W173 L176 F209 F253 T254 F255 D256 F262	L169-F258 HydrophobicContact CB-CE1 4.22Å; L169-F258 HydrophobicContact CD2-CE1 4.25Å; L169-F258 WeakPolarHBondContact O-CE1 3.43Å; Q172-F258 HydrophobicContact CB-CZ 4.18Å; W173-F258 HydrophobicContact CB-CD1 3.77Å; W173-F258 HydrophobicContact CB-CD2 4.15Å; W173-F258 HydrophobicContact CB-CE1 3.9Å; W173-F258 HydrophobicContact CB-CE2 4.27Å; W173-F258 HydrophobicContact CB-CG 3.9Å; W173-F258 HydrophobicContact CB-CZ 4.15Å; W173-F258 VanDerWaalsContact CD1-CB 3.48Å; W173-F258 AromaticContact CD1-CD2 3.98Å; W173-F258 AromaticContact CD1-CG 3.67Å; W173-F258 HydrophobicContact CG-CB 4.19Å; W173-F258 HydrophobicContact CG-CD1 4.25Å; W173-F258 HydrophobicContact CG-CD2 4.46Å; W173-F258 HydrophobicContact CG-CG 4.05Å; L176-F258 HydrophobicContact CD1-CD2 4.28Å; L176-F258 HydrophobicContact CD1-CE2 3.96Å; F209-F258 HydrophobicContact CE1-CE2 4.17Å; F209-F258 HydrophobicContact CE1-CZ 4.32Å; F209-F258 HydrophobicContact CE2-CD2 4.18Å; F209-F258 HydrophobicContact CE2-CE2 4.02Å; F209-F258 AromaticContact CZ-CD2 3.71Å; F209-F258 HydrophobicContact CZ-CD2 3.71Å; F209-F258 AromaticContact CZ-CE2 3.42Å; F209-F258 HydrophobicContact CZ-CE2 3.42Å; F209-F258 VanDerWaalsContact CZ-CE2 3.42Å; F209-F258 HydrophobicContact CZ-CG 4.47Å; F209-F258 AromaticContact CZ-CZ 3.97Å; F209-F258 HydrophobicContact CZ-CZ 3.97Å; F253-F258 HydrophobicContact CE1-CD2 4.47Å; F253-F258 HydrophobicContact CE2-CB 4.49Å; F253-F258 HydrophobicContact CZ-CB 4.24Å; F253-F258 AromaticContact CZ-CD2 3.92Å; F253-F258 HydrophobicContact CZ-CD2 3.92Å; T254-F258 PolarHBondContact O-N 3.34Å; T254-F258 VanDerWaalsContact O-N 3.12Å; F255-F258 AromaticContact CD2-CD1 3.92Å; F255-F258 HydrophobicContact CD2-CD1 3.92Å; F255-F258 AromaticContact CE2-CD1 3.79Å; F255-F258 HydrophobicContact CE2-CD1 3.79Å; F255-F258 HydrophobicContact CE2-CE1 4.13Å; F255-F258 PolarHBondContact O-N 2.88Å; D256-F258 VanDerWaalsContact C-N 3.28Å; D256-F258 PolarHBondContact O-N 3.2Å; F258-F262 WeakPolarHBondContact O-CB 3.28Å; F258-F262 PolarHBondContact O-N 2.94Å
259	F	87.2	Confident	80.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-73.7	-36.5	-179.7	-170.9	-97.7	0	0	0	112.3	L166 L169 F255 D256 F262 I263 E443 Y446 R447 L450	L166-F259 HydrophobicContact CD1-CD2 4.23Å; L166-F259 HydrophobicContact CD1-CE2 3.81Å; L169-F259 HydrophobicContact CD1-CD2 4.1Å; L169-F259 HydrophobicContact CD1-CE2 3.91Å; F255-F259 HydrophobicContact CE1-CB 4.3Å; F255-F259 HydrophobicContact CE1-CD2 4.33Å; F255-F259 HydrophobicContact CZ-CB 4.43Å; F255-F259 HydrophobicContact CZ-CD2 4.11Å; F255-F259 WeakPolarHBondContact O-CB 3.46Å; F255-F259 PolarHBondContact O-N 3.34Å; D256-F259 PolarHBondContact O-N 2.88Å; D256-F259 VanDerWaalsContact O-N 3.09Å; F259-F262 HydrophobicContact CD2-CD1 4.36Å; F259-F262 HydrophobicContact CE2-CD1 4.29Å; F259-F262 WeakPolarHBondContact O-CB 3.39Å; F259-F262 PolarHBondContact O-N 2.93Å; F259-I263 HydrophobicContact CD1-CD1 3.78Å; F259-I263 HydrophobicContact CD1-CG1 4.41Å; F259-I263 HydrophobicContact CE1-CD1 3.43Å; F259-I263 VanDerWaalsContact CE1-CD1 3.43Å; F259-I263 HydrophobicContact CE1-CG1 4.16Å; F259-I263 HydrophobicContact CZ-CD1 4.23Å; F259-I263 WeakPolarHBondContact O-CG1 3.42Å; F259-I263 PolarHBondContact O-N 2.98Å; F259-E443 HydrophobicContact CE1-CG 4.26Å; F259-Y446 HydrophobicContact CZ-CD1 4.07Å; F259-Y446 HydrophobicContact CZ-CE1 4.44Å; F259-R447 HydrophobicContact CD1-CG 4.08Å; F259-R447 HydrophobicContact CE1-CG 3.32Å; F259-R447 HydrophobicContact CE2-CG 4.26Å; F259-R447 HydrophobicContact CZ-CB 4.48Å; F259-R447 HydrophobicContact CZ-CG 3.45Å; F259-R447 VanDerWaalsContact CZ-CG 3.45Å; F259-L450 HydrophobicContact CE2-CD1 3.86Å; F259-L450 HydrophobicContact CZ-CD1 3.99Å
260	D	84.4	Confident	80.5	Confident	45 Å²	45	39.5 Å²	39.5	24%	0.241	20%	0.196	C	C	.	.	H	α-helix	trans	-69.5	-39	175	-63	-20.8	0	0	0	110.7	Y222 D256 I263 H264 R447	Y222-D260 VanDerWaalsContact OH-CB 3.22Å; Y222-D260 WeakPolarHBondContact OH-CB 3.46Å; D256-D260 WeakPolarHBondContact O-CB 3.47Å; D256-D260 PolarHBondContact O-N 3.18Å; D260-I263 PolarHBondContact O-N 2.8Å; D260-H264 WeakPolarHBondContact O-CB 3.21Å; D260-H264 PolarHBondContact O-N 3.14Å; D260-R447 IonicContact OD1-NH2 2.69Å
261	L	81.8	Confident	81.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-41	169.3	179.9	61.3	0	0	0	112	I205 F209 Y222 L223 V257 I263 H264 S265	I205-L261 HydrophobicContact CG2-CD2 3.41Å; I205-L261 VanDerWaalsContact CG2-CD2 3.41Å; F209-L261 HydrophobicContact CD2-CD2 4.1Å; F209-L261 HydrophobicContact CD2-CG 4.4Å; F209-L261 HydrophobicContact CE2-CD2 3.55Å; F209-L261 HydrophobicContact CE2-CG 3.92Å; F209-L261 HydrophobicContact CZ-CD2 4.31Å; F209-L261 HydrophobicContact CZ-CG 4.3Å; Y222-L261 HydrophobicContact CD1-CD1 4.14Å; Y222-L261 HydrophobicContact CE1-CB 4.39Å; L223-L261 HydrophobicContact CD2-CD2 4.04Å; V257-L261 VanDerWaalsContact O-CB 3.31Å; V257-L261 WeakPolarHBondContact O-CB 3.39Å; V257-L261 PolarHBondContact O-N 3.11Å; L261-I263 PolarHBondContact O-N 2.82Å; L261-H264 PolarHBondContact O-N 3.29Å; L261-S265 WeakPolarHBondContact O-CB 3.26Å; L261-S265 PolarHBondContact O-N 3.06Å; L261-S265 PolarHBondContact O-OG 2.88Å; L261-S265 VanDerWaalsContact O-OG 3.12Å
262	F	83.9	Confident	81.7	Confident	18 Å²	18	38.6 Å²	38.6	8%	0.079	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-44.1	173.3	168.6	-102.2	0	0	0	112.1	L169 F209 F258 F259 W266 Y446	L169-F262 HydrophobicContact CD1-CD1 4.04Å; L169-F262 HydrophobicContact CD1-CE1 3.78Å; L169-F262 HydrophobicContact CD1-CZ 4.04Å; L169-F262 HydrophobicContact CD2-CD2 3.91Å; L169-F262 HydrophobicContact CD2-CE2 3.86Å; L169-F262 HydrophobicContact CD2-CG 4.26Å; L169-F262 HydrophobicContact CD2-CZ 4.19Å; F209-F262 HydrophobicContact CE1-CB 3.85Å; F209-F262 HydrophobicContact CE1-CD2 4.12Å; F209-F262 HydrophobicContact CZ-CB 4.32Å; F258-F262 WeakPolarHBondContact O-CB 3.28Å; F258-F262 PolarHBondContact O-N 2.94Å; F259-F262 HydrophobicContact CD2-CD1 4.36Å; F259-F262 HydrophobicContact CE2-CD1 4.29Å; F259-F262 WeakPolarHBondContact O-CB 3.39Å; F259-F262 PolarHBondContact O-N 2.93Å; F262-W266 HydrophobicContact CD2-CE3 4.26Å; F262-W266 HydrophobicContact CE2-CD2 4.32Å; F262-W266 AromaticContact CE2-CE3 3.48Å; F262-W266 HydrophobicContact CE2-CE3 3.48Å; F262-W266 VanDerWaalsContact CE2-CE3 3.48Å; F262-W266 AromaticContact CE2-CZ3 3.8Å; F262-W266 HydrophobicContact CE2-CZ3 3.8Å; F262-W266 HydrophobicContact CZ-CE3 4.12Å; F262-W266 PolarHBondContact O-N 3Å; F262-Y446 HydrophobicContact CE1-CE1 4.12Å
263	I	83.9	Confident	82	Confident	47 Å²	47	42.1 Å²	42.1	24%	0.241	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-42.6	173.6	-72.8	172.9	0	0	0	111.2	F259 D260 L261 W266 P267 E443 Y446	F259-I263 HydrophobicContact CD1-CD1 3.78Å; F259-I263 HydrophobicContact CD1-CG1 4.41Å; F259-I263 HydrophobicContact CE1-CD1 3.43Å; F259-I263 VanDerWaalsContact CE1-CD1 3.43Å; F259-I263 HydrophobicContact CE1-CG1 4.16Å; F259-I263 HydrophobicContact CZ-CD1 4.23Å; F259-I263 WeakPolarHBondContact O-CG1 3.42Å; F259-I263 PolarHBondContact O-N 2.98Å; D260-I263 PolarHBondContact O-N 2.8Å; L261-I263 PolarHBondContact O-N 2.82Å; I263-W266 CarbonylContact O-C 3.57Å; I263-W266 PolarHBondContact O-N 3.16Å; I263-P267 VanDerWaalsContact O-CA 3.27Å; I263-P267 WeakPolarHBondContact O-CA 3.38Å; I263-P267 VanDerWaalsContact O-N 3.13Å; I263-E443 HydrophobicContact CD1-CG 3.83Å; I263-Y446 HydrophobicContact CD1-CD1 4.1Å; I263-Y446 HydrophobicContact CG1-CD1 4.12Å; I263-Y446 HydrophobicContact CG1-CE1 4.13Å
264	H	78.3	Confident	82.3	Confident	67 Å²	67	42.3 Å²	42.3	31%	0.31	21%	0.212	S	C	.	.	H	α-helix	trans	-67.5	-37.7	-178.9	-175.7	37.5	0	0	0	111.8	H219 Y222 D260 L261	H219-H264 AromaticContact CE1-CD2 3.59Å; H219-H264 AromaticContact CE1-CG 3.96Å; H219-H264 AromaticContact CE1-NE2 3.68Å; H219-H264 AromaticContact ND1-CD2 3.12Å; H219-H264 PolarHBondContact ND1-CD2 2.89Å; H219-H264 AromaticContact ND1-CG 3.92Å; H219-H264 AromaticContact ND1-NE2 3.27Å; H219-H264 PolarHBondContact ND1-NE2 2.85Å; Y222-H264 AromaticContact CD1-CD2 3.74Å; Y222-H264 AromaticContact CG-CD2 3.58Å; D260-H264 WeakPolarHBondContact O-CB 3.21Å; D260-H264 PolarHBondContact O-N 3.14Å; L261-H264 PolarHBondContact O-N 3.29Å
265	S	75.1	Confident	82.5	Confident	18 Å²	18	41.9 Å²	41.9	13%	0.126	21%	0.209	C	C	.	.	H	α-helix	trans	-68.8	-46.5	173	-64.5	0	0	0	0	112.6	L261 P267	L261-S265 WeakPolarHBondContact O-CB 3.26Å; L261-S265 PolarHBondContact O-N 3.06Å; L261-S265 PolarHBondContact O-OG 2.88Å; L261-S265 VanDerWaalsContact O-OG 3.12Å; S265-P267 VanDerWaalsContact C-CD 3.42Å; S265-P267 VanDerWaalsContact O-CD 3.27Å; S265-P267 WeakPolarHBondContact O-CD 3.21Å
266	W	76.3	Confident	82.6	Confident	128 Å²	128	45.4 Å²	45.4	49%	0.485	23%	0.234	S	C	.	.	S	Bend	trans	-119.5	69.1	-176.4	-64.7	-6.4	0	0	0	112.2	F262 I263 R268	F262-W266 HydrophobicContact CD2-CE3 4.26Å; F262-W266 HydrophobicContact CE2-CD2 4.32Å; F262-W266 AromaticContact CE2-CE3 3.48Å; F262-W266 HydrophobicContact CE2-CE3 3.48Å; F262-W266 VanDerWaalsContact CE2-CE3 3.48Å; F262-W266 AromaticContact CE2-CZ3 3.8Å; F262-W266 HydrophobicContact CE2-CZ3 3.8Å; F262-W266 HydrophobicContact CZ-CE3 4.12Å; F262-W266 PolarHBondContact O-N 3Å; I263-W266 CarbonylContact O-C 3.57Å; I263-W266 PolarHBondContact O-N 3.16Å; W266-R268 PolarHBondContact O-N 3.47Å
267	P	77	Confident	82.5	Confident	92 Å²	92	45.6 Å²	45.6	60%	0.597	24%	0.239	S	C	*	.			trans	-63.6	128.8	-174	24.6	-34.7	0	0	0	112.9	I263 S265 E269	I263-P267 VanDerWaalsContact O-CA 3.27Å; I263-P267 WeakPolarHBondContact O-CA 3.38Å; I263-P267 VanDerWaalsContact O-N 3.13Å; S265-P267 VanDerWaalsContact C-CD 3.42Å; S265-P267 VanDerWaalsContact O-CD 3.27Å; S265-P267 WeakPolarHBondContact O-CD 3.21Å; P267-E269 PolarHBondContact O-N 2.87Å
268	R	80.4	Confident	82.6	Confident	65 Å²	65	46 Å²	46	25%	0.245	24%	0.238	C	C	.	.			trans	-100.3	73.9	-175.1	-61.7	-57.1	-60.9	-113.4	3.8	112.9	W266 D270 I271 A272 H325 Y446	W266-R268 PolarHBondContact O-N 3.47Å; R268-D270 IonicContact CZ-OD1 3.85Å; R268-D270 IonicContact CZ-OD2 2.98Å; R268-D270 IonicContact NE-OD1 2.75Å; R268-D270 PolarHBondContact NE-OD1 3.36Å; R268-D270 IonicContact NE-OD2 3.1Å; R268-D270 IonicContact NH2-OD1 2.7Å; R268-D270 PolarHBondContact NH2-OD1 2.95Å; R268-D270 IonicContact NH2-OD2 2.81Å; R268-D270 PolarHBondContact NH2-OD2 2.99Å; R268-D270 PolarHBondContact O-N 2.81Å; R268-I271 HydrophobicContact CB-CB 3.91Å; R268-I271 HydrophobicContact CB-CG1 3.75Å; R268-I271 HydrophobicContact CG-CG1 4.32Å; R268-I271 PolarHBondContact O-N 3.47Å; R268-I271 VanDerWaalsContact O-N 3.09Å; R268-A272 PolarHBondContact O-N 3.14Å; R268-A272 VanDerWaalsContact O-N 3.14Å; R268-H325 PolarHBondContact NH2-CD2 2.97Å; R268-H325 VanDerWaalsContact NH2-CD2 3.3Å; R268-H325 PolarHBondContact NH2-NE2 2.85Å; R268-Y446 HydrophobicContact CG-CE1 3.98Å; R268-Y446 HydrophobicContact CG-CE2 4.32Å
269	E	80.9	Confident	82.6	Confident	124 Å²	124	46.9 Å²	46.9	58%	0.579	24%	0.244	S	C	*	.	H	α-helix	trans	-54.7	-32.1	173.1	-67.4	-172.8	160.9	0	0	111.4	P267 A272 E273 R1461	P267-E269 PolarHBondContact O-N 2.87Å; E269-A272 PolarHBondContact O-N 2.75Å; E269-E273 PolarHBondContact O-N 3.22Å; E269-R1461 IonicContact OE1-CZ 3.95Å; E269-R1461 IonicContact OE1-NH1 3.76Å; E269-R1461 IonicContact OE1-NH2 3.11Å; E269-R1461 PolarHBondContact OE1-NH2 3.3Å; E269-R1461 VanDerWaalsContact OE1-NH2 3.11Å
270	D	80.4	Confident	81.9	Confident	44 Å²	44	56 Å²	56	24%	0.235	28%	0.283	C	S	.	.	H	α-helix	trans	-68.9	-31.6	177.4	69.9	-47.6	0	0	0	114.5	R268 L274 T322	R268-D270 IonicContact CZ-OD1 3.85Å; R268-D270 IonicContact CZ-OD2 2.98Å; R268-D270 IonicContact NE-OD1 2.75Å; R268-D270 PolarHBondContact NE-OD1 3.36Å; R268-D270 IonicContact NE-OD2 3.1Å; R268-D270 IonicContact NH2-OD1 2.7Å; R268-D270 PolarHBondContact NH2-OD1 2.95Å; R268-D270 IonicContact NH2-OD2 2.81Å; R268-D270 PolarHBondContact NH2-OD2 2.99Å; R268-D270 PolarHBondContact O-N 2.81Å; D270-L274 WeakPolarHBondContact O-CB 3.44Å; D270-L274 PolarHBondContact O-N 2.73Å; D270-L274 VanDerWaalsContact O-N 3.11Å; D270-T322 HydrophobicContact CB-CG2 4.25Å
271	I	84.6	Confident	80.7	Confident	3 Å²	3	57.4 Å²	57.4	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-77	-38.7	174	-60	-64.5	0	0	0	110.1	R268 E273 L274 F275 I326 F445 Y446 L449	R268-I271 HydrophobicContact CB-CB 3.91Å; R268-I271 HydrophobicContact CB-CG1 3.75Å; R268-I271 HydrophobicContact CG-CG1 4.32Å; R268-I271 PolarHBondContact O-N 3.47Å; R268-I271 VanDerWaalsContact O-N 3.09Å; I271-E273 PolarHBondContact O-N 3.24Å; I271-L274 WeakPolarHBondContact O-CB 3.42Å; I271-L274 PolarHBondContact O-N 2.98Å; I271-L274 VanDerWaalsContact O-N 3.12Å; I271-F275 WeakPolarHBondContact O-CB 3.26Å; I271-F275 PolarHBondContact O-N 2.91Å; I271-I326 HydrophobicContact CD1-CD1 4.17Å; I271-I326 HydrophobicContact CD1-CG1 4.47Å; I271-F445 HydrophobicContact CG2-CD1 4.35Å; I271-Y446 HydrophobicContact CB-CD2 4.46Å; I271-Y446 HydrophobicContact CD1-CD2 4.33Å; I271-Y446 HydrophobicContact CD1-CE2 4.43Å; I271-Y446 HydrophobicContact CG1-CD2 3.93Å; I271-Y446 HydrophobicContact CG1-CE2 4Å; I271-Y446 HydrophobicContact CG2-CD2 3.99Å; I271-Y446 HydrophobicContact CG2-CG 4.19Å; I271-L449 HydrophobicContact CD1-CD1 4.01Å; I271-L449 HydrophobicContact CG2-CD1 4.37Å
272	A	83.8	Confident	80	Confident	34 Å²	34	66.9 Å²	66.9	28%	0.281	34%	0.335	S	S	.	.	H	α-helix	trans	-63.2	-39.5	173.6	0	0	0	0	0	112.4	R268 E269 S276 N442	R268-A272 PolarHBondContact O-N 3.14Å; R268-A272 VanDerWaalsContact O-N 3.14Å; E269-A272 PolarHBondContact O-N 2.75Å; A272-S276 VanDerWaalsContact O-CB 3.24Å; A272-S276 WeakPolarHBondContact O-CB 3.35Å; A272-S276 PolarHBondContact O-N 3.38Å; A272-S276 PolarHBondContact O-OG 3.08Å; A272-N442 WeakPolarHBondContact CA-OD1 3.3Å
273	E	82.7	Confident	79.6	Confident	127 Å²	127	68.4 Å²	68.4	59%	0.593	36%	0.355	S	S	*	.	H	α-helix	trans	-61.9	-42.5	169.4	-78.3	-162.4	163.3	0	0	112	E269 I271 A277	E269-E273 PolarHBondContact O-N 3.22Å; I271-E273 PolarHBondContact O-N 3.24Å; E273-A277 WeakPolarHBondContact O-CB 3.26Å; E273-A277 PolarHBondContact O-N 2.94Å
274	L	85.6	Confident	79.7	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.016	35%	0.354	C	S	.	.	H	α-helix	trans	-66.6	-41.4	179.8	-175.9	66.3	0	0	0	112.3	D270 I271 A277 Y278 F293 T322 L323 I326 F445 L449	D270-L274 WeakPolarHBondContact O-CB 3.44Å; D270-L274 PolarHBondContact O-N 2.73Å; D270-L274 VanDerWaalsContact O-N 3.11Å; I271-L274 WeakPolarHBondContact O-CB 3.42Å; I271-L274 PolarHBondContact O-N 2.98Å; I271-L274 VanDerWaalsContact O-N 3.12Å; L274-A277 WeakPolarHBondContact O-CB 3.39Å; L274-A277 PolarHBondContact O-N 3.43Å; L274-Y278 HydrophobicContact CD1-CD2 4.41Å; L274-Y278 HydrophobicContact CD1-CE2 3.87Å; L274-Y278 WeakPolarHBondContact O-CD2 3.45Å; L274-F293 HydrophobicContact CD1-CE2 4.4Å; L274-F293 HydrophobicContact CD2-CE2 4.07Å; L274-F293 HydrophobicContact CG-CE2 4.36Å; L274-T322 HydrophobicContact CB-CG2 4.21Å; L274-T322 HydrophobicContact CD2-CG2 4.03Å; L274-L323 HydrophobicContact CD1-CG 4.49Å; L274-I326 HydrophobicContact CD2-CD1 3.26Å; L274-F445 HydrophobicContact CD2-CE1 4.23Å; L274-F445 HydrophobicContact CD2-CZ 4.38Å; L274-F445 HydrophobicContact CG-CE1 4.28Å; L274-F445 HydrophobicContact CG-CZ 4.49Å; L274-L449 HydrophobicContact CD2-CD1 4.27Å
275	F	87.9	Confident	80.3	Confident	8 Å²	8	65.3 Å²	65.3	4%	0.035	34%	0.34	C	S	.	.	H	α-helix	trans	-61.4	-54.8	174	-178	-99.2	0	0	0	110.4	I271 A277 Y278 T279 G283 M285 L440 T441 N442 F445	I271-F275 WeakPolarHBondContact O-CB 3.26Å; I271-F275 PolarHBondContact O-N 2.91Å; F275-A277 PolarHBondContact O-N 2.55Å; F275-Y278 PolarHBondContact O-N 3.34Å; F275-T279 HydrophobicContact CD1-CG2 3.89Å; F275-T279 HydrophobicContact CD2-CG2 4.22Å; F275-T279 HydrophobicContact CE1-CG2 3.66Å; F275-T279 HydrophobicContact CE2-CG2 4.01Å; F275-T279 HydrophobicContact CG-CG2 4.18Å; F275-T279 HydrophobicContact CZ-CG2 3.73Å; F275-T279 PolarHBondContact O-N 2.91Å; F275-T279 PolarHBondContact O-OG1 2.93Å; F275-G283 WeakPolarHBondContact CE1-O 3.39Å; F275-M285 HydrophobicContact CD2-CB 4.35Å; F275-M285 HydrophobicContact CD2-CE 3.76Å; F275-M285 HydrophobicContact CE2-CB 3.59Å; F275-M285 HydrophobicContact CE2-CE 4.15Å; F275-M285 HydrophobicContact CZ-CB 4.08Å; F275-L440 WeakPolarHBondContact CZ-O 3.22Å; F275-T441 VanDerWaalsContact CE2-O 3.23Å; F275-T441 WeakPolarHBondContact CE2-O 3.24Å; F275-N442 VanDerWaalsContact CB-OD1 3.24Å; F275-N442 WeakPolarHBondContact CB-OD1 3.42Å; F275-N442 HydrophobicContact CD1-CB 3.92Å; F275-N442 HydrophobicContact CD2-CB 4.36Å; F275-N442 HydrophobicContact CE1-CB 4.09Å; F275-N442 HydrophobicContact CG-CB 4.05Å; F275-N442 HydrophobicContact CZ-CB 4.38Å; F275-N442 VanDerWaalsContact CZ-N 3.32Å; F275-F445 HydrophobicContact CB-CD1 4Å; F275-F445 HydrophobicContact CB-CE1 4.27Å; F275-F445 HydrophobicContact CD2-CB 3.68Å; F275-F445 AromaticContact CD2-CD1 3.71Å; F275-F445 HydrophobicContact CD2-CD1 3.71Å; F275-F445 HydrophobicContact CD2-CE1 4.47Å; F275-F445 AromaticContact CD2-CG 3.77Å; F275-F445 HydrophobicContact CD2-CG 3.77Å; F275-F445 HydrophobicContact CE2-CB 3.93Å; F275-F445 HydrophobicContact CE2-CG 4.41Å; F275-F445 HydrophobicContact CG-CD1 4.35Å
276	S	86.6	Confident	81	Confident	81 Å²	81	66.3 Å²	66.3	57%	0.566	34%	0.343	S	S	*	.	H	α-helix	trans	-57	-23.5	175.4	-56.1	0	0	0	0	113.5	A272 Y278 T279	A272-S276 VanDerWaalsContact O-CB 3.24Å; A272-S276 WeakPolarHBondContact O-CB 3.35Å; A272-S276 PolarHBondContact O-N 3.38Å; A272-S276 PolarHBondContact O-OG 3.08Å; S276-Y278 VanDerWaalsContact C-N 3.35Å; S276-T279 WeakPolarHBondContact CA-OG1 3.24Å
277	A	83.7	Confident	81.6	Confident	25 Å²	25	63.5 Å²	63.5	21%	0.207	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-11.6	177.5	0	0	0	0	0	114.7	E273 L274 F275 K319	E273-A277 WeakPolarHBondContact O-CB 3.26Å; E273-A277 PolarHBondContact O-N 2.94Å; L274-A277 WeakPolarHBondContact O-CB 3.39Å; L274-A277 PolarHBondContact O-N 3.43Å; F275-A277 PolarHBondContact O-N 2.55Å; A277-K319 HydrophobicContact CB-CD 3.84Å; A277-K319 HydrophobicContact CB-CG 4.1Å; A277-K319 PolarHBondContact O-NZ 3.33Å
278	Y	84.8	Confident	82.1	Confident	33 Å²	33	65.8 Å²	65.8	13%	0.129	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-28.1	174.6	-69.9	-88.2	0	0	0	113.5	L274 F275 S276 K280 F293 T296	L274-Y278 HydrophobicContact CD1-CD2 4.41Å; L274-Y278 HydrophobicContact CD1-CE2 3.87Å; L274-Y278 WeakPolarHBondContact O-CD2 3.45Å; F275-Y278 PolarHBondContact O-N 3.34Å; S276-Y278 VanDerWaalsContact C-N 3.35Å; Y278-K280 PolarHBondContact O-N 3.43Å; Y278-F293 HydrophobicContact CD1-CB 4.02Å; Y278-F293 HydrophobicContact CD2-CB 4.32Å; Y278-F293 AromaticContact CD2-CD2 3.87Å; Y278-F293 HydrophobicContact CD2-CD2 3.87Å; Y278-F293 HydrophobicContact CE1-CB 4.26Å; Y278-F293 AromaticContact CE2-CD2 3.63Å; Y278-F293 HydrophobicContact CE2-CD2 3.63Å; Y278-F293 HydrophobicContact CE2-CE2 4.4Å; Y278-F293 HydrophobicContact CG-CB 4.06Å; Y278-F293 HydrophobicContact CG-CD2 4.45Å; Y278-F293 AromaticContact CZ-CD2 3.99Å; Y278-T296 VanDerWaalsContact OH-CG2 3.28Å; Y278-T296 WeakPolarHBondContact OH-CG2 3.48Å
279	T	85.3	Confident	82.5	Confident	22 Å²	22	63.2 Å²	63.2	14%	0.135	33%	0.327	C	S	.	.			trans	-71.3	122.7	173.9	59.3	0	0	0	0	111.8	F275 S276 F284 M285	F275-T279 HydrophobicContact CD1-CG2 3.89Å; F275-T279 HydrophobicContact CD2-CG2 4.22Å; F275-T279 HydrophobicContact CE1-CG2 3.66Å; F275-T279 HydrophobicContact CE2-CG2 4.01Å; F275-T279 HydrophobicContact CG-CG2 4.18Å; F275-T279 HydrophobicContact CZ-CG2 3.73Å; F275-T279 PolarHBondContact O-N 2.91Å; F275-T279 PolarHBondContact O-OG1 2.93Å; S276-T279 WeakPolarHBondContact CA-OG1 3.24Å; T279-F284 WeakPolarHBondContact CG2-O 3.49Å; T279-M285 HydrophobicContact CG2-CB 3.72Å; T279-M285 HydrophobicContact CG2-CE 4.31Å; T279-M285 HydrophobicContact CG2-CG 4.35Å
280	K	72.2	Confident	82.9	Confident	191 Å²	191	57.3 Å²	57.3	83%	0.83	30%	0.299	S	S	*	.			trans	-94	-14.8	169.8	-61	172.6	-173.9	166.4	0	112.3	Y278 E289	Y278-K280 PolarHBondContact O-N 3.43Å; K280-E289 WeakPolarHBondContact CB-OE1 3.41Å; K280-E289 PolarHBondContact N-OE1 3.05Å
281	T	59.7	Low	83.3	Confident	75 Å²	75	55.8 Å²	55.8	46%	0.46	29%	0.291	S	S	.	.	S	Bend	trans	-107.4	174.7	-175.7	74.2	0	0	0	0	112	G283 F284	T281-G283 PolarHBondContact O-N 2.85Å; T281-F284 PolarHBondContact OG1-O 3.44Å
282	K	66.3	Low	83.4	Confident	200 Å²	200	58.3 Å²	58.3	87%	0.87	31%	0.309	S	S	*	.	S	Bend	trans	-70.4	74.7	-162.4	-62.4	179.6	179.9	178.6	0	114.1	F284	K282-F284 VanDerWaalsContact C-N 3.34Å; K282-F284 WeakPolarHBondContact O-CD2 3.35Å; K282-F284 PolarHBondContact O-N 3.36Å
283	G	75.5	Confident	83.6	Confident	49 Å²	49	56.7 Å²	56.7	51%	0.505	30%	0.296	S	S	.	.	S	Bend	trans	77.8	13.2	172.6	0	0	0	0	0	115.5	F275 T281	F275-G283 WeakPolarHBondContact CE1-O 3.39Å; T281-G283 PolarHBondContact O-N 2.85Å
284	F	87.5	Confident	83.7	Confident	50 Å²	50	50.7 Å²	50.7	22%	0.219	27%	0.267	C	S	.	.			trans	-129.5	145.6	177.3	-61.7	-81.2	0	0	0	110.5	T279 T281 K282 Y433 A434 L439 T441	T279-F284 WeakPolarHBondContact CG2-O 3.49Å; T281-F284 PolarHBondContact OG1-O 3.44Å; K282-F284 VanDerWaalsContact C-N 3.34Å; K282-F284 WeakPolarHBondContact O-CD2 3.35Å; K282-F284 PolarHBondContact O-N 3.36Å; F284-Y433 HydrophobicContact CZ-CD1 4.28Å; F284-Y433 HydrophobicContact CZ-CE1 4.23Å; F284-A434 HydrophobicContact CD1-CB 4.25Å; F284-A434 HydrophobicContact CE1-CB 3.96Å; F284-L439 HydrophobicContact CB-CB 4.17Å; F284-L439 HydrophobicContact CB-CD1 4.01Å; F284-L439 HydrophobicContact CB-CD2 4.43Å; F284-L439 HydrophobicContact CB-CG 4.44Å; F284-L439 HydrophobicContact CD1-CB 4.17Å; F284-L439 HydrophobicContact CD1-CD1 4.4Å; F284-L439 HydrophobicContact CD2-CD1 4.43Å; F284-L439 HydrophobicContact CG-CB 4.39Å; F284-L439 HydrophobicContact CG-CD1 4.04Å; F284-T441 HydrophobicContact CD1-CG2 3.91Å; F284-T441 HydrophobicContact CE1-CG2 3.69Å
285	M	89.5	Confident	83.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-100.1	128.8	172	-173.9	178.9	-66	0	0	110	F275 T279 E289 L290 L440 F445	F275-M285 HydrophobicContact CD2-CB 4.35Å; F275-M285 HydrophobicContact CD2-CE 3.76Å; F275-M285 HydrophobicContact CE2-CB 3.59Å; F275-M285 HydrophobicContact CE2-CE 4.15Å; F275-M285 HydrophobicContact CZ-CB 4.08Å; T279-M285 HydrophobicContact CG2-CB 3.72Å; T279-M285 HydrophobicContact CG2-CE 4.31Å; T279-M285 HydrophobicContact CG2-CG 4.35Å; M285-E289 WeakPolarHBondContact CA-OE2 3.41Å; M285-E289 HydrophobicContact CG-CB 3.72Å; M285-L290 HydrophobicContact CG-CB 4.36Å; M285-L290 HydrophobicContact SD-CB 3.87Å; M285-L290 HydrophobicContact SD-CD1 3.79Å; M285-L290 HydrophobicContact SD-CG 4.46Å; M285-L440 HydrophobicContact CB-CB 4.37Å; M285-L440 PolarHBondContact N-O 2.92Å; M285-L440 PolarHBondContact O-N 2.93Å; M285-F445 HydrophobicContact CE-CD2 3.8Å; M285-F445 HydrophobicContact CE-CE1 4.42Å; M285-F445 HydrophobicContact CE-CE2 3.71Å; M285-F445 HydrophobicContact CE-CG 4.22Å; M285-F445 HydrophobicContact CE-CZ 4.03Å; M285-F445 HydrophobicContact SD-CD2 3.89Å; M285-F445 HydrophobicContact SD-CE2 3.99Å
286	N	89.9	Confident	83.2	Confident	39 Å²	39	55.5 Å²	55.5	21%	0.209	29%	0.294	C	S	.	.			trans	-100.3	169.5	173.6	74.5	69.3	0	0	0	112.7	Q288 E289 L290 L439	N286-Q288 VanDerWaalsContact C-N 3.29Å; N286-Q288 PolarHBondContact O-N 3.16Å; N286-Q288 VanDerWaalsContact O-N 3.15Å; N286-Q288 WeakPolarHBondContact OD1-CB 3.36Å; N286-Q288 PolarHBondContact OD1-N 2.94Å; N286-E289 PolarHBondContact N-OE2 3.45Å; N286-E289 PolarHBondContact ND2-OE1 3.31Å; N286-E289 PolarHBondContact ND2-OE2 3.49Å; N286-E289 WeakPolarHBondContact O-CA 3.37Å; N286-E289 WeakPolarHBondContact O-CB 3.36Å; N286-E289 PolarHBondContact O-N 3.03Å; N286-E289 PolarHBondContact OD1-N 2.8Å; N286-L290 PolarHBondContact O-N 2.77Å; N286-L439 HydrophobicContact CB-CD2 3.96Å
287	Y	89	Confident	82.8	Confident	68 Å²	68	51.6 Å²	51.6	27%	0.267	27%	0.267	S	S	.	.	H	α-helix	trans	-40.3	-47.9	175.8	172.3	-117.3	0	0	0	115.4	N291 T416 N417 Y418 F421	Y287-N291 VanDerWaalsContact CE2-ND2 3.29Å; Y287-N291 WeakPolarHBondContact CE2-ND2 3.46Å; Y287-N291 WeakPolarHBondContact O-CB 3.09Å; Y287-N291 PolarHBondContact O-N 3.01Å; Y287-T416 WeakPolarHBondContact CE2-O 3.25Å; Y287-T416 PolarHBondContact OH-O 3.32Å; Y287-N417 VanDerWaalsContact CE2-C 3.43Å; Y287-Y418 HydrophobicContact CG-CD2 4.31Å; Y287-F421 HydrophobicContact CD2-CB 3.66Å; Y287-F421 HydrophobicContact CD2-CD1 4.1Å; Y287-F421 AromaticContact CD2-CG 3.89Å; Y287-F421 HydrophobicContact CD2-CG 3.89Å; Y287-F421 HydrophobicContact CE2-CB 4.31Å; Y287-F421 HydrophobicContact CG-CD1 4.31Å; Y287-F421 HydrophobicContact CG-CG 4.5Å; Y287-F421 VanDerWaalsContact N-CE1 3.34Å; Y287-F421 VanDerWaalsContact N-CZ 3.31Å
288	Q	87.2	Confident	82.2	Confident	141 Å²	141	51.2 Å²	51.2	66%	0.659	26%	0.261	S	S	*	.	H	α-helix	trans	-73.3	-31.3	-177.4	-57.5	-177.1	-3.9	0	0	111.9	N286 S292	N286-Q288 VanDerWaalsContact C-N 3.29Å; N286-Q288 PolarHBondContact O-N 3.16Å; N286-Q288 VanDerWaalsContact O-N 3.15Å; N286-Q288 WeakPolarHBondContact OD1-CB 3.36Å; N286-Q288 PolarHBondContact OD1-N 2.94Å; Q288-S292 WeakPolarHBondContact O-CB 3.45Å; Q288-S292 PolarHBondContact O-N 3.24Å; Q288-S292 PolarHBondContact O-OG 3.32Å
289	E	89.7	Confident	81.3	Confident	11 Å²	11	52.3 Å²	52.3	5%	0.051	27%	0.273	C	S	.	.	H	α-helix	trans	-74.6	-40.6	177.8	-65.5	169.2	153.1	0	0	110.7	K280 M285 N286 S292 F293	K280-E289 WeakPolarHBondContact CB-OE1 3.41Å; K280-E289 PolarHBondContact N-OE1 3.05Å; M285-E289 WeakPolarHBondContact CA-OE2 3.41Å; M285-E289 HydrophobicContact CG-CB 3.72Å; N286-E289 PolarHBondContact N-OE2 3.45Å; N286-E289 PolarHBondContact ND2-OE1 3.31Å; N286-E289 PolarHBondContact ND2-OE2 3.49Å; N286-E289 WeakPolarHBondContact O-CA 3.37Å; N286-E289 WeakPolarHBondContact O-CB 3.36Å; N286-E289 PolarHBondContact O-N 3.03Å; N286-E289 PolarHBondContact OD1-N 2.8Å; E289-S292 WeakPolarHBondContact O-CB 3.33Å; E289-S292 PolarHBondContact O-N 3.14Å; E289-F293 PolarHBondContact O-N 3.4Å
290	L	89.3	Confident	80.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-46.3	172.2	-174.7	70.8	0	0	0	111.5	M285 N286 S292 F293 L294 F421 I424 F445 L448	M285-L290 HydrophobicContact CG-CB 4.36Å; M285-L290 HydrophobicContact SD-CB 3.87Å; M285-L290 HydrophobicContact SD-CD1 3.79Å; M285-L290 HydrophobicContact SD-CG 4.46Å; N286-L290 PolarHBondContact O-N 2.77Å; L290-S292 VanDerWaalsContact C-N 3.29Å; L290-S292 PolarHBondContact O-N 3.09Å; L290-F293 HydrophobicContact CD1-CD1 4.15Å; L290-F293 CarbonylContact O-C 3.58Å; L290-F293 WeakPolarHBondContact O-CA 3.33Å; L290-F293 WeakPolarHBondContact O-CB 3.2Å; L290-F293 PolarHBondContact O-N 3.16Å; L290-F293 VanDerWaalsContact O-N 3.1Å; L290-L294 HydrophobicContact CD2-CD1 4.47Å; L290-L294 HydrophobicContact CG-CD1 4.15Å; L290-L294 HydrophobicContact CG-CG 4.38Å; L290-L294 WeakPolarHBondContact O-CG 3.35Å; L290-L294 PolarHBondContact O-N 3.5Å; L290-F421 HydrophobicContact CB-CD2 4.46Å; L290-F421 HydrophobicContact CB-CE2 4.22Å; L290-F421 HydrophobicContact CD2-CD2 3.6Å; L290-F421 HydrophobicContact CD2-CE2 3.87Å; L290-I424 HydrophobicContact CD2-CG2 4.45Å; L290-F445 HydrophobicContact CD1-CD2 4.36Å; L290-F445 HydrophobicContact CD1-CE2 4.25Å; L290-L448 HydrophobicContact CD1-CD2 3.86Å; L290-L448 HydrophobicContact CD2-CD2 4.21Å
291	N	87.9	Confident	80	Confident	11 Å²	11	45.7 Å²	45.7	6%	0.059	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-37.4	175.5	-82.6	-16.4	0	0	0	112	Y287 F293 L294 H295 T416	Y287-N291 VanDerWaalsContact CE2-ND2 3.29Å; Y287-N291 WeakPolarHBondContact CE2-ND2 3.46Å; Y287-N291 WeakPolarHBondContact O-CB 3.09Å; Y287-N291 PolarHBondContact O-N 3.01Å; N291-F293 VanDerWaalsContact C-N 3.33Å; N291-F293 PolarHBondContact O-N 3.32Å; N291-L294 PolarHBondContact O-N 3.47Å; N291-H295 WeakPolarHBondContact O-CB 3.39Å; N291-H295 PolarHBondContact O-CD2 3.04Å; N291-H295 PolarHBondContact O-N 2.83Å; N291-T416 PolarHBondContact ND2-O 2.88Å; N291-T416 PolarHBondContact OD1-N 2.91Å; N291-T416 PolarHBondContact OD1-OG1 3.08Å
292	S	86.5	Confident	80	Confident	57 Å²	57	45 Å²	45	40%	0.399	24%	0.238	S	C	.	.	H	α-helix	trans	-61.6	-39.5	172.5	-61.2	0	0	0	0	112.4	Q288 E289 L290 T296	Q288-S292 WeakPolarHBondContact O-CB 3.45Å; Q288-S292 PolarHBondContact O-N 3.24Å; Q288-S292 PolarHBondContact O-OG 3.32Å; E289-S292 WeakPolarHBondContact O-CB 3.33Å; E289-S292 PolarHBondContact O-N 3.14Å; L290-S292 VanDerWaalsContact C-N 3.29Å; L290-S292 PolarHBondContact O-N 3.09Å; S292-T296 WeakPolarHBondContact O-CB 3.45Å; S292-T296 PolarHBondContact O-N 3.44Å; S292-T296 PolarHBondContact O-OG1 3.05Å
293	F	88.4	Confident	79.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.7	-46	174.3	166.7	-101.7	0	0	0	112.5	L274 Y278 E289 L290 N291 T296 S297 L323 F445 L449 Y454	L274-F293 HydrophobicContact CD1-CE2 4.4Å; L274-F293 HydrophobicContact CD2-CE2 4.07Å; L274-F293 HydrophobicContact CG-CE2 4.36Å; Y278-F293 HydrophobicContact CD1-CB 4.02Å; Y278-F293 HydrophobicContact CD2-CB 4.32Å; Y278-F293 AromaticContact CD2-CD2 3.87Å; Y278-F293 HydrophobicContact CD2-CD2 3.87Å; Y278-F293 HydrophobicContact CE1-CB 4.26Å; Y278-F293 AromaticContact CE2-CD2 3.63Å; Y278-F293 HydrophobicContact CE2-CD2 3.63Å; Y278-F293 HydrophobicContact CE2-CE2 4.4Å; Y278-F293 HydrophobicContact CG-CB 4.06Å; Y278-F293 HydrophobicContact CG-CD2 4.45Å; Y278-F293 AromaticContact CZ-CD2 3.99Å; E289-F293 PolarHBondContact O-N 3.4Å; L290-F293 HydrophobicContact CD1-CD1 4.15Å; L290-F293 CarbonylContact O-C 3.58Å; L290-F293 WeakPolarHBondContact O-CA 3.33Å; L290-F293 WeakPolarHBondContact O-CB 3.2Å; L290-F293 PolarHBondContact O-N 3.16Å; L290-F293 VanDerWaalsContact O-N 3.1Å; N291-F293 VanDerWaalsContact C-N 3.33Å; N291-F293 PolarHBondContact O-N 3.32Å; F293-T296 PolarHBondContact O-N 3.08Å; F293-S297 WeakPolarHBondContact CE2-OG 3.5Å; F293-S297 WeakPolarHBondContact CZ-OG 3.36Å; F293-S297 WeakPolarHBondContact O-CB 3.47Å; F293-S297 PolarHBondContact O-N 3.38Å; F293-S297 PolarHBondContact O-OG 2.8Å; F293-L323 HydrophobicContact CE2-CD2 3.65Å; F293-L323 HydrophobicContact CZ-CD2 4.21Å; F293-F445 AromaticContact CD1-CE2 3.8Å; F293-F445 HydrophobicContact CD1-CE2 3.8Å; F293-F445 HydrophobicContact CD1-CZ 4.14Å; F293-F445 HydrophobicContact CD2-CZ 4.11Å; F293-F445 AromaticContact CE1-CE2 3.77Å; F293-F445 HydrophobicContact CE1-CE2 3.77Å; F293-F445 AromaticContact CE1-CZ 3.93Å; F293-F445 HydrophobicContact CE1-CZ 3.93Å; F293-F445 AromaticContact CE2-CZ 3.91Å; F293-F445 HydrophobicContact CE2-CZ 3.91Å; F293-F445 HydrophobicContact CG-CE2 4.2Å; F293-F445 HydrophobicContact CG-CZ 4.23Å; F293-F445 HydrophobicContact CZ-CE2 4.17Å; F293-F445 AromaticContact CZ-CZ 3.84Å; F293-F445 HydrophobicContact CZ-CZ 3.84Å; F293-L449 HydrophobicContact CE1-CD2 3.79Å; F293-L449 HydrophobicContact CZ-CD2 3.59Å; F293-Y454 HydrophobicContact CE1-CD2 4.42Å; F293-Y454 AromaticContact CE1-CE2 3.63Å; F293-Y454 HydrophobicContact CE1-CE2 3.63Å; F293-Y454 HydrophobicContact CZ-CE2 4.05Å
294	L	86.4	Confident	77.8	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-48.8	179.2	-70.8	172.6	0	0	0	111.4	L290 N291 T296 S297 I298 T416 Y454 L457	L290-L294 HydrophobicContact CD2-CD1 4.47Å; L290-L294 HydrophobicContact CG-CD1 4.15Å; L290-L294 HydrophobicContact CG-CG 4.38Å; L290-L294 WeakPolarHBondContact O-CG 3.35Å; L290-L294 PolarHBondContact O-N 3.5Å; N291-L294 PolarHBondContact O-N 3.47Å; L294-T296 VanDerWaalsContact C-N 3.28Å; L294-T296 PolarHBondContact O-N 2.81Å; L294-S297 PolarHBondContact O-N 3.32Å; L294-I298 WeakPolarHBondContact O-CB 3.33Å; L294-I298 WeakPolarHBondContact O-CG1 3.3Å; L294-I298 PolarHBondContact O-N 3.45Å; L294-T416 HydrophobicContact CD1-CG2 3.77Å; L294-Y454 HydrophobicContact CD2-CD2 4.19Å; L294-Y454 HydrophobicContact CD2-CE2 4.08Å; L294-L457 HydrophobicContact CD1-CD1 4.37Å; L294-L457 HydrophobicContact CD2-CB 4.36Å; L294-L457 HydrophobicContact CD2-CD1 4.46Å
295	H	80.7	Confident	75.6	Confident	56 Å²	56	42.3 Å²	42.3	26%	0.259	23%	0.232	S	C	.	.	H	α-helix	trans	-55.7	-43.7	174.6	-65.1	-25.4	0	0	0	111.8	N291 S299 V414	N291-H295 WeakPolarHBondContact O-CB 3.39Å; N291-H295 PolarHBondContact O-CD2 3.04Å; N291-H295 PolarHBondContact O-N 2.83Å; H295-S299 VanDerWaalsContact O-CB 3.3Å; H295-S299 WeakPolarHBondContact O-CB 3.31Å; H295-S299 PolarHBondContact O-N 2.88Å; H295-S299 PolarHBondContact O-OG 2.9Å; H295-V414 PolarHBondContact CE1-O 3.23Å; H295-V414 PolarHBondContact ND1-O 3.09Å
296	T	81	Confident	73.3	Confident	56 Å²	56	47.2 Å²	47.2	34%	0.344	26%	0.261	S	S	.	.	H	α-helix	trans	-65.9	-45.4	178.7	-54.6	0	0	0	0	111.2	Y278 S292 F293 L294 S299 Y300 L323	Y278-T296 VanDerWaalsContact OH-CG2 3.28Å; Y278-T296 WeakPolarHBondContact OH-CG2 3.48Å; S292-T296 WeakPolarHBondContact O-CB 3.45Å; S292-T296 PolarHBondContact O-N 3.44Å; S292-T296 PolarHBondContact O-OG1 3.05Å; F293-T296 PolarHBondContact O-N 3.08Å; L294-T296 VanDerWaalsContact C-N 3.28Å; L294-T296 PolarHBondContact O-N 2.81Å; T296-S299 PolarHBondContact O-N 3.39Å; T296-S299 PolarHBondContact O-OG 2.82Å; T296-Y300 PolarHBondContact O-N 2.92Å; T296-Y300 VanDerWaalsContact O-N 3.11Å; T296-L323 HydrophobicContact CG2-CD1 4.41Å
297	S	78.3	Confident	70.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-48.3	178.9	-57.7	0	0	0	0	111.8	F293 L294 S299 Y300 F301 L323	F293-S297 WeakPolarHBondContact CE2-OG 3.5Å; F293-S297 WeakPolarHBondContact CZ-OG 3.36Å; F293-S297 WeakPolarHBondContact O-CB 3.47Å; F293-S297 PolarHBondContact O-N 3.38Å; F293-S297 PolarHBondContact O-OG 2.8Å; L294-S297 PolarHBondContact O-N 3.32Å; S297-S299 PolarHBondContact O-N 3.27Å; S297-Y300 CarbonylContact O-C 3.53Å; S297-Y300 WeakPolarHBondContact O-CA 3.45Å; S297-Y300 VanDerWaalsContact O-CB 3.27Å; S297-Y300 WeakPolarHBondContact O-CB 3.41Å; S297-Y300 PolarHBondContact O-N 2.88Å; S297-F301 VanDerWaalsContact O-CD1 3.29Å; S297-F301 WeakPolarHBondContact O-CD1 3.45Å; S297-F301 WeakPolarHBondContact O-CD2 3.42Å; S297-F301 WeakPolarHBondContact O-CG 3.49Å; S297-F301 PolarHBondContact O-N 2.95Å; S297-L323 VanDerWaalsContact OG-CD2 3.31Å; S297-L323 WeakPolarHBondContact OG-CD2 3.2Å
298	I	72.1	Confident	68.3	Low	17 Å²	17	53 Å²	53	9%	0.087	30%	0.302	C	S	.	.	H	α-helix	trans	-70	-34.7	-178.3	-65.4	164.6	0	0	0	111.3	L294 Y300 F301 T302 V414 L457	L294-I298 WeakPolarHBondContact O-CB 3.33Å; L294-I298 WeakPolarHBondContact O-CG1 3.3Å; L294-I298 PolarHBondContact O-N 3.45Å; I298-Y300 PolarHBondContact O-N 2.91Å; I298-F301 PolarHBondContact O-N 3.44Å; I298-F301 VanDerWaalsContact O-N 3.16Å; I298-T302 HydrophobicContact CG2-CG2 4.32Å; I298-T302 WeakPolarHBondContact O-CG2 3.38Å; I298-T302 PolarHBondContact O-N 2.82Å; I298-T302 PolarHBondContact O-OG1 3.19Å; I298-V414 HydrophobicContact CD1-CB 3.56Å; I298-V414 HydrophobicContact CD1-CG1 3.54Å; I298-V414 HydrophobicContact CD1-CG2 3.97Å; I298-V414 HydrophobicContact CG2-CG2 4.38Å; I298-L457 WeakPolarHBondContact CD1-O 3.24Å
299	S	65.6	Low	65.8	Low	55 Å²	55	54.1 Å²	54.1	39%	0.385	31%	0.308	S	S	.	.	H	α-helix	trans	-60.8	-35.1	170	79.9	0	0	0	0	112.2	H295 T296 S297 T302 N303	H295-S299 VanDerWaalsContact O-CB 3.3Å; H295-S299 WeakPolarHBondContact O-CB 3.31Å; H295-S299 PolarHBondContact O-N 2.88Å; H295-S299 PolarHBondContact O-OG 2.9Å; T296-S299 PolarHBondContact O-N 3.39Å; T296-S299 PolarHBondContact O-OG 2.82Å; S297-S299 PolarHBondContact O-N 3.27Å; S299-T302 PolarHBondContact O-OG1 3.33Å; S299-N303 WeakPolarHBondContact O-CB 3.44Å; S299-N303 PolarHBondContact O-N 3.41Å
300	Y	65.1	Low	63.1	Low	41 Å²	41	61.1 Å²	61.1	16%	0.161	35%	0.346	C	S	.	.	H	α-helix	trans	-74.4	-29.5	176	-157.1	-92.4	0	0	0	112.8	T296 S297 I298 Q320 R324	T296-Y300 PolarHBondContact O-N 2.92Å; T296-Y300 VanDerWaalsContact O-N 3.11Å; S297-Y300 CarbonylContact O-C 3.53Å; S297-Y300 WeakPolarHBondContact O-CA 3.45Å; S297-Y300 VanDerWaalsContact O-CB 3.27Å; S297-Y300 WeakPolarHBondContact O-CB 3.41Å; S297-Y300 PolarHBondContact O-N 2.88Å; I298-Y300 PolarHBondContact O-N 2.91Å; Y300-Q320 HydrophobicContact CD2-CG 4.46Å; Y300-Q320 HydrophobicContact CE2-CB 4.13Å; Y300-Q320 HydrophobicContact CE2-CG 3.81Å; Y300-R324 HydrophobicContact CE1-CG 3.74Å; Y300-R324 PolarHBondContact OH-NE 3.06Å; Y300-R324 PolarHBondContact OH-NH2 3.48Å; Y300-R324 VanDerWaalsContact OH-NH2 3.11Å
301	F	64.8	Low	60.3	Low	33 Å²	33	65.9 Å²	65.9	15%	0.145	38%	0.379	C	S	.	.	H	α-helix	trans	-78.5	-40.1	179.4	-59.7	-17.6	0	0	0	112.4	S297 I298 K327 C458	S297-F301 VanDerWaalsContact O-CD1 3.29Å; S297-F301 WeakPolarHBondContact O-CD1 3.45Å; S297-F301 WeakPolarHBondContact O-CD2 3.42Å; S297-F301 WeakPolarHBondContact O-CG 3.49Å; S297-F301 PolarHBondContact O-N 2.95Å; I298-F301 PolarHBondContact O-N 3.44Å; I298-F301 VanDerWaalsContact O-N 3.16Å; F301-K327 HydrophobicContact CD1-CB 4.41Å; F301-K327 HydrophobicContact CD1-CD 3.51Å; F301-K327 HydrophobicContact CD1-CG 3.79Å; F301-K327 HydrophobicContact CE1-CB 3.75Å; F301-K327 HydrophobicContact CE1-CD 3.77Å; F301-K327 HydrophobicContact CE1-CG 3.57Å; F301-K327 HydrophobicContact CG-CD 4.4Å; F301-K327 HydrophobicContact CZ-CB 4.37Å; F301-K327 HydrophobicContact CZ-CG 4.24Å; F301-K327 PolarHBondContact O-NZ 3.08Å; F301-C458 HydrophobicContact CD2-CB 4.01Å; F301-C458 HydrophobicContact CE2-CB 3.84Å
302	T	59.3	Low	57.7	Low	61 Å²	61	76.3 Å²	76.3	37%	0.374	42%	0.417	S	S	.	.	H	α-helix	trans	-76.4	-45.5	177.4	52.5	0	0	0	0	112.8	I298 S299	I298-T302 HydrophobicContact CG2-CG2 4.32Å; I298-T302 WeakPolarHBondContact O-CG2 3.38Å; I298-T302 PolarHBondContact O-N 2.82Å; I298-T302 PolarHBondContact O-OG1 3.19Å; S299-T302 PolarHBondContact O-OG1 3.33Å
303	N	49.1	Very low	55.3	Low	80 Å²	80	79.1 Å²	79.1	43%	0.428	43%	0.428	S	S	.	.			trans	-111	81.8	-176.1	-77.8	-73.3	0	0	0	112.7	S299 N305 V306	S299-N303 WeakPolarHBondContact O-CB 3.44Å; S299-N303 PolarHBondContact O-N 3.41Å; N303-N305 PolarHBondContact O-N 3.4Å; N303-V306 HydrophobicContact CB-CG2 3.75Å; N303-V306 WeakPolarHBondContact O-CG2 3.43Å; N303-V306 PolarHBondContact O-N 3.29Å
304	S	47	Very low	52.7	Low	106 Å²	106	87.3 Å²	87.3	74%	0.741	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-1.8	169.2	59.2	0	0	0	0	114.9
305	N	40.4	Very low	50.9	Low	57 Å²	57	96 Å²	96	31%	0.305	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	6.6	-176.1	-77.1	-27.6	0	0	0	115.1	N303 S307 Q347 K348	N303-N305 PolarHBondContact O-N 3.4Å; N305-S307 PolarHBondContact O-N 3.31Å; N305-Q347 PolarHBondContact ND2-O 3.47Å; N305-K348 VanDerWaalsContact OD1-CE 3.26Å; N305-K348 WeakPolarHBondContact OD1-CE 3.48Å; N305-K348 PolarHBondContact OD1-NZ 3.23Å
306	V	42.2	Very low	49.5	Very low	102 Å²	102	95.5 Å²	95.5	62%	0.618	51%	0.507	S	S	*	.			trans	-51.5	125.2	178	175.7	0	0	0	0	110.5	N303	N303-V306 HydrophobicContact CB-CG2 3.75Å; N303-V306 WeakPolarHBondContact O-CG2 3.43Å; N303-V306 PolarHBondContact O-N 3.29Å
307	S	35.8	Very low	48	Very low	81 Å²	81	96.7 Å²	96.7	57%	0.566	51%	0.514	S	S	*	.			trans	-77.5	142.1	-163.1	50.3	0	0	0	0	113.9	N305 E309	N305-S307 PolarHBondContact O-N 3.31Å; S307-E309 PolarHBondContact O-N 3.3Å
308	L	36.8	Very low	47.1	Very low	147 Å²	147	99.5 Å²	99.5	77%	0.77	53%	0.529	S	S	*	.			trans	-81.6	31.4	-169.4	-152.3	85	0	0	0	114.2	N310	L308-N310 PolarHBondContact O-N 2.78Å
309	E	35.1	Very low	46.6	Very low	166 Å²	166	102.1 Å²	102.1	78%	0.776	54%	0.54	S	S	*	.			trans	-80.9	-13.2	-162	-67	-173.4	127.2	0	0	115.2	S307	S307-E309 PolarHBondContact O-N 3.3Å
310	N	33.1	Very low	46.4	Very low	158 Å²	158	103.2 Å²	103.2	85%	0.845	54%	0.539	S	S	*	.			trans	-111.8	59.3	175.7	-84.9	-38.6	0	0	0	112.7	L308 R312	L308-N310 PolarHBondContact O-N 2.78Å; N310-R312 PolarHBondContact O-N 3.01Å; N310-R312 VanDerWaalsContact O-N 3.08Å
311	S	29.9	Very low	46.3	Very low	99 Å²	99	106.9 Å²	106.9	69%	0.692	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	9.2	-172.6	58.7	0	0	0	0	116.9
312	R	33.1	Very low	46.3	Very low	230 Å²	230	106 Å²	106	87%	0.868	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-13.5	-176.7	-71.8	-172.7	176.2	-177.7	-0.7	115.4	N310	N310-R312 PolarHBondContact O-N 3.01Å; N310-R312 VanDerWaalsContact O-N 3.08Å
313	N	37.1	Very low	46.6	Very low	117 Å²	117	103.2 Å²	103.2	63%	0.626	54%	0.536	S	S	*	.			trans	-100.9	93.2	-177.3	-71.7	-9.6	0	0	0	111.4	K315 A316	N313-K315 VanDerWaalsContact C-N 3.26Å; N313-K315 PolarHBondContact O-N 2.85Å; N313-A316 HydrophobicContact CB-CB 4.34Å; N313-A316 WeakPolarHBondContact O-CB 3.28Å; N313-A316 PolarHBondContact O-N 3.38Å
314	F	33.8	Very low	47.2	Very low	171 Å²	171	105.1 Å²	105.1	75%	0.75	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-43.8	176.7	-83.9	-94.4	0	0	0	112.7	A316 V317	F314-A316 PolarHBondContact O-N 2.82Å; F314-V317 WeakPolarHBondContact O-CB 3.11Å; F314-V317 PolarHBondContact O-N 2.94Å
315	K	49.4	Very low	47.8	Very low	183 Å²	183	101.8 Å²	101.8	80%	0.796	51%	0.51	S	S	*	.	H	α-helix	trans	-58.5	-7.5	176.4	-65.1	-167.2	176.1	-168.5	0	115.6	N313 K319	N313-K315 VanDerWaalsContact C-N 3.26Å; N313-K315 PolarHBondContact O-N 2.85Å; K315-K319 WeakPolarHBondContact O-CG 3.29Å
316	A	51.4	Low	49	Very low	46 Å²	46	99.3 Å²	99.3	38%	0.38	50%	0.497	S	S	.	.	H	α-helix	trans	-90.7	-22.3	172.3	0	0	0	0	0	113.1	N313 F314 Q320	N313-A316 HydrophobicContact CB-CB 4.34Å; N313-A316 WeakPolarHBondContact O-CB 3.28Å; N313-A316 PolarHBondContact O-N 3.38Å; F314-A316 PolarHBondContact O-N 2.82Å; A316-Q320 WeakPolarHBondContact O-CG 3.34Å
317	V	49.6	Very low	50	Low	81 Å²	81	97.2 Å²	97.2	49%	0.491	48%	0.479	S	S	.	.	H	α-helix	trans	-75.7	-43	-176.7	-178.2	0	0	0	0	110.8	F314 Q320 K321	F314-V317 WeakPolarHBondContact O-CB 3.11Å; F314-V317 PolarHBondContact O-N 2.94Å; V317-Q320 WeakPolarHBondContact O-CB 3.1Å; V317-Q320 PolarHBondContact O-N 2.89Å; V317-K321 PolarHBondContact O-N 2.97Å
318	D	59.3	Low	51	Low	59 Å²	59	97.1 Å²	97.1	32%	0.316	47%	0.467	S	S	.	.	H	α-helix	trans	-72.7	-38.4	-176.1	-58.1	-63.3	0	0	0	112.5	Q320 K321 T322	D318-Q320 PolarHBondContact O-N 3.27Å; D318-Q320 VanDerWaalsContact O-N 3.13Å; D318-K321 WeakPolarHBondContact O-CA 3.34Å; D318-K321 VanDerWaalsContact O-CB 3.32Å; D318-K321 WeakPolarHBondContact O-CB 3.44Å; D318-K321 PolarHBondContact O-N 3.39Å; D318-K321 VanDerWaalsContact OD1-CE 3.25Å; D318-K321 WeakPolarHBondContact OD1-CE 3.33Å; D318-K321 IonicContact OD1-NZ 2.64Å; D318-K321 PolarHBondContact OD1-NZ 3.01Å; D318-T322 PolarHBondContact O-N 2.92Å; D318-T322 VanDerWaalsContact O-N 3.08Å; D318-T322 PolarHBondContact O-OG1 2.88Å
319	K	61.4	Low	52.1	Low	72 Å²	72	91.9 Å²	91.9	31%	0.313	44%	0.44	S	S	.	.	H	α-helix	trans	-52.2	-37.2	169.1	-63.6	-173.2	-169.1	-158.4	0	112.6	A277 K315 L323	A277-K319 HydrophobicContact CB-CD 3.84Å; A277-K319 HydrophobicContact CB-CG 4.1Å; A277-K319 PolarHBondContact O-NZ 3.33Å; K315-K319 WeakPolarHBondContact O-CG 3.29Å; K319-L323 WeakPolarHBondContact O-CB 3.47Å; K319-L323 WeakPolarHBondContact O-CG 3.46Å; K319-L323 PolarHBondContact O-N 2.86Å
320	Q	61.1	Low	53.1	Low	77 Å²	77	85 Å²	85	36%	0.36	41%	0.408	S	S	.	.	H	α-helix	trans	-74.8	-23.4	176.7	-67.7	-175.8	12.9	0	0	113.4	Y300 A316 V317 D318 R324	Y300-Q320 HydrophobicContact CD2-CG 4.46Å; Y300-Q320 HydrophobicContact CE2-CB 4.13Å; Y300-Q320 HydrophobicContact CE2-CG 3.81Å; A316-Q320 WeakPolarHBondContact O-CG 3.34Å; V317-Q320 WeakPolarHBondContact O-CB 3.1Å; V317-Q320 PolarHBondContact O-N 2.89Å; D318-Q320 PolarHBondContact O-N 3.27Å; D318-Q320 VanDerWaalsContact O-N 3.13Å; Q320-R324 WeakPolarHBondContact O-CB 3.47Å; Q320-R324 VanDerWaalsContact O-CG 3.29Å; Q320-R324 WeakPolarHBondContact O-CG 3.44Å; Q320-R324 PolarHBondContact O-N 3.48Å; Q320-R324 VanDerWaalsContact O-N 3.13Å
321	K	62.4	Low	54	Low	118 Å²	118	80.1 Å²	80.1	51%	0.513	38%	0.381	S	S	.	.	H	α-helix	trans	-71.1	-47.5	170.4	-60.7	174.2	-174.2	165.2	0	110.5	V317 D318 R324 H325	V317-K321 PolarHBondContact O-N 2.97Å; D318-K321 WeakPolarHBondContact O-CA 3.34Å; D318-K321 VanDerWaalsContact O-CB 3.32Å; D318-K321 WeakPolarHBondContact O-CB 3.44Å; D318-K321 PolarHBondContact O-N 3.39Å; D318-K321 VanDerWaalsContact OD1-CE 3.25Å; D318-K321 WeakPolarHBondContact OD1-CE 3.33Å; D318-K321 IonicContact OD1-NZ 2.64Å; D318-K321 PolarHBondContact OD1-NZ 3.01Å; K321-R324 CarbonylContact O-C 3.53Å; K321-R324 WeakPolarHBondContact O-CA 3.26Å; K321-R324 WeakPolarHBondContact O-CB 3.27Å; K321-R324 PolarHBondContact O-N 2.85Å; K321-R324 VanDerWaalsContact O-N 3.11Å; K321-H325 PolarHBondContact O-N 2.85Å
322	T	64.6	Low	54.4	Low	14 Å²	14	79 Å²	79	9%	0.086	37%	0.365	C	S	.	.	H	α-helix	trans	-65.1	-42.9	179.8	-37.3	0	0	0	0	111.3	D270 L274 D318 R324 H325 I326	D270-T322 HydrophobicContact CB-CG2 4.25Å; L274-T322 HydrophobicContact CB-CG2 4.21Å; L274-T322 HydrophobicContact CD2-CG2 4.03Å; D318-T322 PolarHBondContact O-N 2.92Å; D318-T322 VanDerWaalsContact O-N 3.08Å; D318-T322 PolarHBondContact O-OG1 2.88Å; T322-R324 VanDerWaalsContact C-N 3.29Å; T322-R324 PolarHBondContact O-N 2.84Å; T322-H325 PolarHBondContact O-N 2.88Å; T322-H325 VanDerWaalsContact O-N 3.11Å; T322-I326 HydrophobicContact CG2-CD1 4.31Å; T322-I326 WeakPolarHBondContact O-CG1 3.43Å; T322-I326 PolarHBondContact O-N 3.1Å
323	L	65.5	Low	54.7	Low	4 Å²	4	71.9 Å²	71.9	2%	0.021	34%	0.338	C	S	.	.	H	α-helix	trans	-60.6	-34.2	171.8	-75	175.7	0	0	0	113.1	L274 F293 T296 S297 K319 K327	L274-L323 HydrophobicContact CD1-CG 4.49Å; F293-L323 HydrophobicContact CE2-CD2 3.65Å; F293-L323 HydrophobicContact CZ-CD2 4.21Å; T296-L323 HydrophobicContact CG2-CD1 4.41Å; S297-L323 VanDerWaalsContact OG-CD2 3.31Å; S297-L323 WeakPolarHBondContact OG-CD2 3.2Å; K319-L323 WeakPolarHBondContact O-CB 3.47Å; K319-L323 WeakPolarHBondContact O-CG 3.46Å; K319-L323 PolarHBondContact O-N 2.86Å; L323-K327 WeakPolarHBondContact O-CB 3.29Å; L323-K327 PolarHBondContact O-N 3.49Å
324	R	61.4	Low	54.8	Low	119 Å²	119	67.2 Å²	67.2	45%	0.449	31%	0.313	S	S	.	.	H	α-helix	trans	-67.6	-45	170.2	-82.6	-179.7	-173.6	-168.7	1.5	112.2	Y300 Q320 K321 T322 I326 K327 Y328	Y300-R324 HydrophobicContact CE1-CG 3.74Å; Y300-R324 PolarHBondContact OH-NE 3.06Å; Y300-R324 PolarHBondContact OH-NH2 3.48Å; Y300-R324 VanDerWaalsContact OH-NH2 3.11Å; Q320-R324 WeakPolarHBondContact O-CB 3.47Å; Q320-R324 VanDerWaalsContact O-CG 3.29Å; Q320-R324 WeakPolarHBondContact O-CG 3.44Å; Q320-R324 PolarHBondContact O-N 3.48Å; Q320-R324 VanDerWaalsContact O-N 3.13Å; K321-R324 CarbonylContact O-C 3.53Å; K321-R324 WeakPolarHBondContact O-CA 3.26Å; K321-R324 WeakPolarHBondContact O-CB 3.27Å; K321-R324 PolarHBondContact O-N 2.85Å; K321-R324 VanDerWaalsContact O-N 3.11Å; T322-R324 VanDerWaalsContact C-N 3.29Å; T322-R324 PolarHBondContact O-N 2.84Å; R324-I326 VanDerWaalsContact C-N 3.33Å; R324-I326 PolarHBondContact O-N 3.04Å; R324-K327 CarbonylContact O-C 3.53Å; R324-K327 WeakPolarHBondContact O-CA 3.09Å; R324-K327 WeakPolarHBondContact O-CB 3.35Å; R324-K327 PolarHBondContact O-N 3.26Å; R324-Y328 HydrophobicContact CB-CD2 4.34Å; R324-Y328 HydrophobicContact CB-CE2 4.05Å; R324-Y328 WeakPolarHBondContact O-CD2 3.41Å; R324-Y328 PolarHBondContact O-N 2.98Å
325	H	60.9	Low	54.9	Low	37 Å²	37	65.3 Å²	65.3	17%	0.171	31%	0.307	C	S	.	.	H	α-helix	trans	-60.7	-43.8	179.7	-178.3	73	0	0	0	111.3	R268 K321 T322 K327 Y328 L329	R268-H325 PolarHBondContact NH2-CD2 2.97Å; R268-H325 VanDerWaalsContact NH2-CD2 3.3Å; R268-H325 PolarHBondContact NH2-NE2 2.85Å; K321-H325 PolarHBondContact O-N 2.85Å; T322-H325 PolarHBondContact O-N 2.88Å; T322-H325 VanDerWaalsContact O-N 3.11Å; H325-K327 VanDerWaalsContact C-N 3.35Å; H325-K327 PolarHBondContact O-N 3.31Å; H325-Y328 PolarHBondContact O-N 2.95Å; H325-L329 WeakPolarHBondContact O-CG 3.38Å; H325-L329 PolarHBondContact O-N 2.86Å
326	I	64.4	Low	54.1	Low	4 Å²	4	62.7 Å²	62.7	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-42.4	170.5	-67.1	163.1	0	0	0	111.1	I271 L274 T322 R324 Y328 L329 H330 L449 Y454	I271-I326 HydrophobicContact CD1-CD1 4.17Å; I271-I326 HydrophobicContact CD1-CG1 4.47Å; L274-I326 HydrophobicContact CD2-CD1 3.26Å; T322-I326 HydrophobicContact CG2-CD1 4.31Å; T322-I326 WeakPolarHBondContact O-CG1 3.43Å; T322-I326 PolarHBondContact O-N 3.1Å; R324-I326 VanDerWaalsContact C-N 3.33Å; R324-I326 PolarHBondContact O-N 3.04Å; I326-Y328 VanDerWaalsContact C-N 3.32Å; I326-Y328 PolarHBondContact O-N 3.38Å; I326-L329 PolarHBondContact O-N 3.1Å; I326-H330 PolarHBondContact O-CD2 3.31Å; I326-H330 PolarHBondContact O-N 3.31Å; I326-L449 HydrophobicContact CD1-CD1 3.86Å; I326-L449 HydrophobicContact CD1-CD2 4.32Å; I326-L449 HydrophobicContact CG2-CD2 4.41Å; I326-Y454 HydrophobicContact CG2-CE1 3.57Å
327	K	63.8	Low	53.1	Low	59 Å²	59	64.9 Å²	64.9	26%	0.257	31%	0.307	S	S	.	.	H	α-helix	trans	-60.5	-39.5	174.1	-155.3	-172.7	-167	-175.1	0	112.4	F301 L323 R324 H325 L331	F301-K327 HydrophobicContact CD1-CB 4.41Å; F301-K327 HydrophobicContact CD1-CD 3.51Å; F301-K327 HydrophobicContact CD1-CG 3.79Å; F301-K327 HydrophobicContact CE1-CB 3.75Å; F301-K327 HydrophobicContact CE1-CD 3.77Å; F301-K327 HydrophobicContact CE1-CG 3.57Å; F301-K327 HydrophobicContact CG-CD 4.4Å; F301-K327 HydrophobicContact CZ-CB 4.37Å; F301-K327 HydrophobicContact CZ-CG 4.24Å; F301-K327 PolarHBondContact O-NZ 3.08Å; L323-K327 WeakPolarHBondContact O-CB 3.29Å; L323-K327 PolarHBondContact O-N 3.49Å; R324-K327 CarbonylContact O-C 3.53Å; R324-K327 WeakPolarHBondContact O-CA 3.09Å; R324-K327 WeakPolarHBondContact O-CB 3.35Å; R324-K327 PolarHBondContact O-N 3.26Å; H325-K327 VanDerWaalsContact C-N 3.35Å; H325-K327 PolarHBondContact O-N 3.31Å; K327-L331 HydrophobicContact CD-CD1 3.92Å; K327-L331 HydrophobicContact CG-CD1 3.86Å; K327-L331 HydrophobicContact CG-CG 4.19Å; K327-L331 WeakPolarHBondContact O-CB 3.3Å; K327-L331 WeakPolarHBondContact O-CG 3.47Å; K327-L331 PolarHBondContact O-N 3.4Å
328	Y	57.8	Low	52.2	Low	79 Å²	79	66.4 Å²	66.4	31%	0.31	31%	0.309	S	S	.	.	H	α-helix	trans	-71.4	-38.9	177.7	-69.4	-61.1	0	0	0	112.1	R324 H325 I326 H330 L331 E332 P1859	R324-Y328 HydrophobicContact CB-CD2 4.34Å; R324-Y328 HydrophobicContact CB-CE2 4.05Å; R324-Y328 WeakPolarHBondContact O-CD2 3.41Å; R324-Y328 PolarHBondContact O-N 2.98Å; H325-Y328 PolarHBondContact O-N 2.95Å; I326-Y328 VanDerWaalsContact C-N 3.32Å; I326-Y328 PolarHBondContact O-N 3.38Å; Y328-H330 PolarHBondContact O-N 2.93Å; Y328-H330 VanDerWaalsContact O-N 3.16Å; Y328-L331 PolarHBondContact O-N 3.38Å; Y328-E332 HydrophobicContact CD1-CG 4.16Å; Y328-E332 WeakPolarHBondContact O-CB 3.37Å; Y328-E332 WeakPolarHBondContact O-CG 3.4Å; Y328-E332 PolarHBondContact O-N 2.92Å; Y328-P1859 HydrophobicContact CE1-CG 4.5Å; Y328-P1859 WeakPolarHBondContact OH-CG 3.42Å
329	L	58.8	Low	50.6	Low	37 Å²	37	69.2 Å²	69.2	19%	0.194	33%	0.328	C	S	.	.	H	α-helix	trans	-55.2	-33.6	175.5	-77.7	165.2	0	0	0	112.5	H325 I326 F1867	H325-L329 WeakPolarHBondContact O-CG 3.38Å; H325-L329 PolarHBondContact O-N 2.86Å; I326-L329 PolarHBondContact O-N 3.1Å; L329-F1867 HydrophobicContact CB-CZ 4.44Å; L329-F1867 HydrophobicContact CD2-CE1 3.75Å; L329-F1867 HydrophobicContact CD2-CZ 3.75Å; L329-F1867 HydrophobicContact CG-CE1 4.38Å; L329-F1867 HydrophobicContact CG-CZ 3.91Å
330	H	57.3	Low	48.8	Very low	22 Å²	22	71.5 Å²	71.5	10%	0.102	35%	0.35	C	S	.	.	H	α-helix	trans	-91	-41.6	173.7	-72.3	-79.6	0	0	0	113.4	I326 Y328 L449 Y454	I326-H330 PolarHBondContact O-CD2 3.31Å; I326-H330 PolarHBondContact O-N 3.31Å; Y328-H330 PolarHBondContact O-N 2.93Å; Y328-H330 VanDerWaalsContact O-N 3.16Å; H330-L449 PolarHBondContact NE2-O 3.39Å; H330-Y454 AromaticContact NE2-CD1 3.71Å
331	L	51.2	Low	47.2	Very low	55 Å²	55	74.3 Å²	74.3	29%	0.288	37%	0.367	S	S	.	.	H	α-helix	trans	-74.6	-37.4	-175.6	-81.6	-175.8	0	0	0	114.9	K327 Y328 R333 T334 Q335	K327-L331 HydrophobicContact CD-CD1 3.92Å; K327-L331 HydrophobicContact CG-CD1 3.86Å; K327-L331 HydrophobicContact CG-CG 4.19Å; K327-L331 WeakPolarHBondContact O-CB 3.3Å; K327-L331 WeakPolarHBondContact O-CG 3.47Å; K327-L331 PolarHBondContact O-N 3.4Å; Y328-L331 PolarHBondContact O-N 3.38Å; L331-R333 PolarHBondContact O-N 2.9Å; L331-T334 WeakPolarHBondContact CA-OG1 3.42Å; L331-T334 PolarHBondContact O-N 3.05Å; L331-T334 VanDerWaalsContact O-N 3.1Å; L331-T334 PolarHBondContact O-OG1 2.81Å; L331-Q335 PolarHBondContact O-N 2.98Å; L331-Q335 VanDerWaalsContact O-N 3.09Å
332	E	38.5	Very low	45.5	Very low	76 Å²	76	77.7 Å²	77.7	36%	0.355	38%	0.381	S	S	.	.	H	α-helix	trans	-67.1	-17.7	-175.4	-67.6	-173.2	177.6	0	0	112.5	Y328 N336 F1867	Y328-E332 HydrophobicContact CD1-CG 4.16Å; Y328-E332 WeakPolarHBondContact O-CB 3.37Å; Y328-E332 WeakPolarHBondContact O-CG 3.4Å; Y328-E332 PolarHBondContact O-N 2.92Å; E332-N336 PolarHBondContact O-ND2 2.87Å; E332-N336 VanDerWaalsContact O-ND2 3.1Å; E332-F1867 WeakPolarHBondContact OE2-CD2 3.44Å
333	R	39.9	Very low	43.7	Very low	80 Å²	80	84.6 Å²	84.6	30%	0.302	41%	0.414	S	S	.	.	H	α-helix	trans	-75.9	-53.9	166.9	-61.9	-173.7	179.8	-168.9	-1.5	111.1	D162 L163 A164 L331 Q335 N336	D162-R333 WeakPolarHBondContact OD1-CB 3.42Å; L163-R333 WeakPolarHBondContact O-CD 3.44Å; L163-R333 PolarHBondContact O-NH1 2.8Å; A164-R333 PolarHBondContact O-NH1 2.93Å; L331-R333 PolarHBondContact O-N 2.9Å; R333-Q335 VanDerWaalsContact C-N 3.31Å; R333-Q335 PolarHBondContact O-N 2.98Å; R333-N336 PolarHBondContact O-N 3.42Å
334	T	38.8	Very low	41.9	Very low	18 Å²	18	92.9 Å²	92.9	11%	0.11	45%	0.45	C	S	.	.	H	α-helix	trans	-56.1	-37.8	-177.9	63.4	0	0	0	0	114.5	L331 N336 N337 Q338	L331-T334 WeakPolarHBondContact CA-OG1 3.42Å; L331-T334 PolarHBondContact O-N 3.05Å; L331-T334 VanDerWaalsContact O-N 3.1Å; L331-T334 PolarHBondContact O-OG1 2.81Å; T334-N336 VanDerWaalsContact C-N 3.25Å; T334-N336 PolarHBondContact O-N 3.33Å; T334-N337 PolarHBondContact O-N 2.88Å; T334-Q338 PolarHBondContact O-N 3.27Å; T334-Q338 VanDerWaalsContact O-N 3.14Å
335	Q	36.3	Very low	40.2	Very low	132 Å²	132	92.6 Å²	92.6	62%	0.617	47%	0.467	S	S	*	.	H	α-helix	trans	-74.6	-10.1	-172.3	-70.5	-169.2	3.3	0	0	114.6	L331 R333	L331-Q335 PolarHBondContact O-N 2.98Å; L331-Q335 VanDerWaalsContact O-N 3.09Å; R333-Q335 VanDerWaalsContact C-N 3.31Å; R333-Q335 PolarHBondContact O-N 2.98Å
336	N	31.6	Very low	38.6	Very low	128 Å²	128	99.6 Å²	99.6	68%	0.684	50%	0.497	S	S	*	.	H	α-helix	trans	-83.3	-22.7	173.8	-66.8	-37.6	0	0	0	112.9	E332 R333 T334	E332-N336 PolarHBondContact O-ND2 2.87Å; E332-N336 VanDerWaalsContact O-ND2 3.1Å; R333-N336 PolarHBondContact O-N 3.42Å; T334-N336 VanDerWaalsContact C-N 3.25Å; T334-N336 PolarHBondContact O-N 3.33Å
337	N	31.7	Very low	36.9	Very low	91 Å²	91	106.8 Å²	106.8	49%	0.487	53%	0.53	S	S	.	.	H	α-helix	trans	-111.8	-21.4	-175.1	-72.8	-16.6	0	0	0	114.5	V161 T334	V161-N337 WeakPolarHBondContact CG1-ND2 3.29Å; T334-N337 PolarHBondContact O-N 2.88Å
338	Q	29.2	Very low	35.1	Very low	114 Å²	114	111.4 Å²	111.4	53%	0.533	55%	0.55	S	S	.	*	S	Bend	trans	-101.1	134.7	-179.8	-63.7	-170.2	-3.4	0	0	111.9	T334	T334-Q338 PolarHBondContact O-N 3.27Å; T334-Q338 VanDerWaalsContact O-N 3.14Å
339	T	27	Very low	33.6	Very low	118 Å²	118	112.5 Å²	112.5	72%	0.724	57%	0.569	S	S	*	*			trans	-55.9	138.1	171.1	46.5	0	0	0	0	109.8	I341	T339-I341 PolarHBondContact O-N 3.25Å
340	P	23.1	Very low	32.1	Very low	119 Å²	119	120.3 Å²	120.3	77%	0.773	60%	0.604	S	S	*	*			trans	-68.9	94.1	-171.6	26.3	-34.8	0	0	0	111.1	K342	P340-K342 PolarHBondContact O-N 2.72Å
341	I	27.4	Very low	30.6	Very low	137 Å²	137	124.9 Å²	124.9	70%	0.703	64%	0.639	S	S	*	*			trans	-58.3	105.8	168.3	-60.2	178.1	0	0	0	106.6	T339 M343	T339-I341 PolarHBondContact O-N 3.25Å; I341-M343 PolarHBondContact O-N 3.42Å
342	K	26.1	Very low	29.6	Very low	189 Å²	189	134.2 Å²	134.2	82%	0.822	67%	0.67	S	S	*	*			trans	-70	76.2	171	-76	-176.4	175.7	175.6	0	108.8	P340 K344	P340-K342 PolarHBondContact O-N 2.72Å; K342-K344 PolarHBondContact O-N 3.09Å
343	M	26.2	Very low	29.1	Very low	158 Å²	158	140.1 Å²	140.1	78%	0.778	70%	0.695	S	S	*	*			trans	-54.4	102.5	176.2	-162.9	-179	-163.3	0	0	107.6	I341 S345	I341-M343 PolarHBondContact O-N 3.42Å; M343-S345 PolarHBondContact O-N 2.75Å
344	K	28.5	Very low	28.4	Very low	179 Å²	179	140.8 Å²	140.8	78%	0.778	71%	0.712	S	S	*	*			trans	-62.5	114.3	-162.3	-81.3	180	179.5	167	0	110	K342 F346	K342-K344 PolarHBondContact O-N 3.09Å; K344-F346 HydrophobicContact CB-CB 4.41Å; K344-F346 HydrophobicContact CB-CD2 4.13Å; K344-F346 HydrophobicContact CD-CD2 4.38Å; K344-F346 PolarHBondContact O-N 3.28Å
345	S	26	Very low	27.9	Very low	113 Å²	113	148 Å²	148	79%	0.79	75%	0.745	S	S	*	*			trans	-71.5	64	172.7	60.8	0	0	0	0	111.2	M343	M343-S345 PolarHBondContact O-N 2.75Å
346	F	26.7	Very low	27.4	Very low	183 Å²	183	148.5 Å²	148.5	80%	0.803	75%	0.751	S	S	*	*			trans	-103.2	18.9	-172.7	-114.6	-84.8	0	0	0	113.8	K344	K344-F346 HydrophobicContact CB-CB 4.41Å; K344-F346 HydrophobicContact CB-CD2 4.13Å; K344-F346 HydrophobicContact CD-CD2 4.38Å; K344-F346 PolarHBondContact O-N 3.28Å
347	Q	28.3	Very low	27.4	Very low	156 Å²	156	150.7 Å²	150.7	73%	0.729	76%	0.763	S	S	*	*			trans	-131	88.2	164.3	-73.7	-169.4	-1	0	0	110.8	N305	N305-Q347 PolarHBondContact ND2-O 3.47Å
348	K	27.2	Very low	27.1	Very low	156 Å²	156	151.1 Å²	151.1	68%	0.678	77%	0.773	S	S	*	*			trans	-152	137.1	159.2	-139.2	165.3	-172.1	162.1	0	110.4	N305	N305-K348 VanDerWaalsContact OD1-CE 3.26Å; N305-K348 WeakPolarHBondContact OD1-CE 3.48Å; N305-K348 PolarHBondContact OD1-NZ 3.23Å
349	S	25.7	Very low	26.9	Very low	101 Å²	101	150.7 Å²	150.7	71%	0.706	78%	0.782	S	S	*	*			trans	57.3	96	-178.2	63.2	0	0	0	0	117.3
350	H	27.5	Very low	27.3	Very low	201 Å²	201	152.9 Å²	152.9	93%	0.931	79%	0.789	S	S	*	*				-159.4	80.7	121	-107	59.5	0	0	0	109.8
351	S	26.7	Very low	27.4	Very low	118 Å²	118	156.3 Å²	156.3	83%	0.825	79%	0.792	S	S	*	*			trans	-137.4	69.3	175.3	60.6	0	0	0	0	110.2
352	R	30.2	Very low	27.2	Very low	251 Å²	251	159.8 Å²	159.8	95%	0.947	80%	0.796	S	S	*	*			trans	-83.2	161.6	158	-83	-173.1	170.5	-172.7	-2.1	109.1
353	K	26.9	Very low	27.3	Very low	200 Å²	200	156.5 Å²	156.5	87%	0.87	80%	0.797	S	S	*	*			trans	-69.4	173.2	-167.7	-60.7	179.8	178.1	-177.9	0	113.4
354	S	26.2	Very low	27.3	Very low	95 Å²	95	157 Å²	157	66%	0.664	80%	0.795	S	S	*	*			trans	75.5	111	160.2	65.6	0	0	0	0	120.2
355	Q	26.7	Very low	27.1	Very low	170 Å²	170	153.9 Å²	153.9	79%	0.794	80%	0.795	S	S	*	*				73	141.1	125.1	-71.9	170.5	-59.4	0	0	121.8
356	N	27.2	Very low	27.1	Very low	142 Å²	142	153.1 Å²	153.1	76%	0.759	79%	0.789	S	S	*	*			trans	70.9	104.1	155.9	-60.2	-0.5	0	0	0	119.2
357	N	30.9	Very low	27.1	Very low	174 Å²	174	154.6 Å²	154.6	93%	0.93	79%	0.791	S	S	*	*			trans	-66.8	123.6	150.1	-73.3	-25.5	0	0	0	109.7
358	S	25	Very low	26.9	Very low	100 Å²	100	153.1 Å²	153.1	70%	0.699	79%	0.792	S	S	*	*			trans	-160.4	144.2	156.7	56.5	0	0	0	0	113.5
359	S	26.2	Very low	26.8	Very low	104 Å²	104	151.9 Å²	151.9	73%	0.727	80%	0.798	S	S	*	*			trans	53.3	112.1	152.4	58.6	0	0	0	0	120.6	K361	S359-K361 PolarHBondContact O-N 2.94Å
360	L	33.7	Very low	26.7	Very low	165 Å²	165	152.6 Å²	152.6	86%	0.864	79%	0.794	S	S	*	*			trans	-52	126	130.3	-98.9	69.8	0	0	0	109.6
361	K	25.5	Very low	26.8	Very low	191 Å²	191	149.2 Å²	149.2	83%	0.83	78%	0.779	S	S	*	*				167.6	136.3	128.1	-92	159.9	-177	176.3	0	114.2	S359	S359-K361 PolarHBondContact O-N 2.94Å
362	R	24.9	Very low	26.9	Very low	210 Å²	210	147.7 Å²	147.7	79%	0.792	77%	0.765	S	S	*	*			trans	53.9	104.6	149.6	-69.2	-177.4	169.4	-179.9	-2.1	121
363	S	27.1	Very low	26.7	Very low	120 Å²	120	141.4 Å²	141.4	84%	0.839	75%	0.75	S	S	*	*				-150.9	103.8	116.3	46.3	0	0	0	0	107.6
364	K	26.9	Very low	26.8	Very low	168 Å²	168	139 Å²	139	73%	0.73	75%	0.745	S	S	*	*				68	139.8	65.7	-86.9	-158	168	-164.4	0	114.8
365	S	24.7	Very low	26.8	Very low	113 Å²	113	140.5 Å²	140.5	79%	0.79	75%	0.746	S	S	*	*			trans	67	139.2	-169.8	75.5	0	0	0	0	115.4
366	C	25.1	Very low	26.9	Very low	97 Å²	97	140 Å²	140	66%	0.655	74%	0.744	S	S	*	*	S	Bend	cis	-153.3	151.9	-23.3	-101	0	0	0	0	107.6
367	Y	26.4	Very low	26.9	Very low	214 Å²	214	137.9 Å²	137.9	84%	0.839	74%	0.74	S	S	*	*			cis	-130.2	176.1	-2.1	-98.6	-64.8	0	0	0	110
368	T	25.3	Very low	26.8	Very low	125 Å²	125	137.8 Å²	137.8	77%	0.767	73%	0.734	S	S	*	*			trans	-144	124.6	173.1	48	0	0	0	0	110.3
369	T	24.2	Very low	26.9	Very low	131 Å²	131	139.3 Å²	139.3	80%	0.804	73%	0.734	S	S	*	*			trans	-167.3	149.9	162.4	27.8	0	0	0	0	108.2
370	N	24.2	Very low	27	Very low	115 Å²	115	141 Å²	141	62%	0.615	73%	0.734	S	S	*	*			cis	-159.9	151.3	-35.2	-122.7	11.1	0	0	0	108.9
371	Q	29.3	Very low	26.7	Very low	130 Å²	130	139.1 Å²	139.1	61%	0.607	73%	0.725	S	S	*	*				44.7	150.2	122.6	-64.6	-164.3	-68.4	0	0	120.7
372	T	27.6	Very low	26.8	Very low	87 Å²	87	136 Å²	136	53%	0.534	72%	0.716	S	S	.	*			cis	-166	162.4	6.3	7.1	0	0	0	0	114.3
373	D	27.4	Very low	26.9	Very low	118 Å²	118	132.6 Å²	132.6	63%	0.631	71%	0.713	S	S	*	*			trans	65.4	161	136.3	-64	-22.4	0	0	0	121.3
374	L	27.5	Very low	26.8	Very low	149 Å²	149	133 Å²	133	78%	0.78	71%	0.706	S	S	*	*			cis	-105.4	-155.4	-3.1	-74.7	80.3	0	0	0	109.7
375	N	28	Very low	26.7	Very low	127 Å²	127	131.4 Å²	131.4	68%	0.679	71%	0.705	S	S	*	*			cis	-155.3	-163.7	4.9	-151.6	0.6	0	0	0	114.3
376	Q	28.3	Very low	26.7	Very low	161 Å²	161	131.9 Å²	131.9	75%	0.752	70%	0.703	S	S	*	*			trans	-110.5	177.7	-166.8	-60.4	146.3	5	0	0	111.6
377	S	27.8	Very low	26.6	Very low	96 Å²	96	131 Å²	131	67%	0.671	70%	0.698	S	S	*	*			cis	-146.2	146.6	11.3	-19.1	0	0	0	0	109.2
378	Q	28.6	Very low	26.6	Very low	172 Å²	172	129.1 Å²	129.1	80%	0.804	70%	0.697	S	S	*	*				53.8	141.7	85.7	-60.7	-174.8	-10.5	0	0	115.2
379	N	26.9	Very low	26.6	Very low	132 Å²	132	128 Å²	128	71%	0.706	69%	0.694	S	S	*	*			cis	-152.6	-174	27.9	-142.1	-10.6	0	0	0	116
380	L	27.8	Very low	26.7	Very low	139 Å²	139	129.3 Å²	129.3	73%	0.728	70%	0.695	S	S	*	*			trans	-70.4	-177.3	177.4	-82.2	59.8	0	0	0	112.9
381	D	27.9	Very low	26.7	Very low	127 Å²	127	128.8 Å²	128.8	68%	0.679	70%	0.701	S	S	*	*			cis	-171.1	171.8	34.7	-140.2	-15.1	0	0	0	117.8
382	I	27.9	Very low	26.7	Very low	125 Å²	125	127.8 Å²	127.8	64%	0.641	71%	0.708	S	S	*	*			trans	72.9	99.7	144.9	-81.2	157.2	0	0	0	124.1
383	L	26.3	Very low	26.7	Very low	138 Å²	138	129.1 Å²	129.1	72%	0.723	72%	0.716	S	S	*	*				51.3	129.4	119.8	-57	175.4	0	0	0	124.9
384	N	23.9	Very low	26.8	Very low	128 Å²	128	129.8 Å²	129.8	68%	0.684	73%	0.725	S	S	*	*				125.6	141.8	102.2	-105.9	-5.9	0	0	0	122.6
385	L	26	Very low	26.8	Very low	135 Å²	135	128.2 Å²	128.2	71%	0.707	73%	0.726	S	S	*	*			trans	79.8	130.2	145.6	-70.7	163.3	0	0	0	123
386	T	24.4	Very low	27.1	Very low	124 Å²	124	128 Å²	128	76%	0.761	73%	0.731	S	S	*	*			trans	58.5	149.4	143.4	50.4	0	0	0	0	121
387	S	23.6	Very low	27.1	Very low	79 Å²	79	127.8 Å²	127.8	55%	0.552	74%	0.735	S	S	*	*			cis	-167.6	172.9	-22.4	49	0	0	0	0	108.1
388	E	25.2	Very low	27.2	Very low	174 Å²	174	130.6 Å²	130.6	81%	0.813	74%	0.737	S	S	*	*			trans	62.7	158.7	172.7	-70.8	125.8	-102.8	0	0	116.8
389	S	26.2	Very low	27.2	Very low	100 Å²	100	131.4 Å²	131.4	70%	0.699	74%	0.74	S	S	*	*			cis	-150.4	155.3	-23.8	49.9	0	0	0	0	111.9
390	L	26.8	Very low	27.3	Very low	160 Å²	160	131.7 Å²	131.7	84%	0.838	74%	0.742	S	S	*	*			trans	14.1	151.9	136.7	-57.1	166.6	0	0	0	120.6
391	S	24.2	Very low	27.4	Very low	104 Å²	104	134.4 Å²	134.4	73%	0.727	74%	0.743	S	S	*	*			cis	179.4	140.5	-19	53.5	0	0	0	0	111
392	S	28.7	Very low	27.3	Very low	108 Å²	108	135.3 Å²	135.3	76%	0.755	75%	0.747	S	S	*	*			trans	-155.1	99.6	160.5	59.7	0	0	0	0	113.4
393	T	27.1	Very low	27.4	Very low	116 Å²	116	140.9 Å²	140.9	71%	0.712	76%	0.76	S	S	*	*	S	Bend	trans	24.5	123.9	142.3	54.5	0	0	0	0	119.6
394	T	30.1	Very low	27.4	Very low	132 Å²	132	142 Å²	142	81%	0.81	76%	0.764	S	S	*	*			cis	-139	94.4	6.1	51.9	0	0	0	0	113.1
395	S	26.2	Very low	27.6	Very low	115 Å²	115	143.1 Å²	143.1	80%	0.804	77%	0.769	S	S	*	*			trans	19.4	147.5	135	-46.6	0	0	0	0	122.6
396	P	34.7	Very low	27.9	Very low	122 Å²	122	143.6 Å²	143.6	79%	0.792	77%	0.773	S	S	*	*			trans	-140.7	-144.6	-137.3	42.7	-20.5	0	0	0	113.8
397	L	27.8	Very low	28.1	Very low	157 Å²	157	146.6 Å²	146.6	82%	0.822	78%	0.778	S	S	*	*	S	Bend	trans	-49.9	157.8	163.1	-69.5	155.8	0	0	0	113.5
398	H	31.2	Very low	28.6	Very low	155 Å²	155	151.5 Å²	151.5	72%	0.718	79%	0.789	S	S	*	*			trans	75.3	80.4	167.4	-81.5	-58.9	0	0	0	120.5
399	H	29.1	Very low	29	Very low	190 Å²	190	148.3 Å²	148.3	88%	0.88	79%	0.786	S	S	*	*				-136.5	153.9	126.4	-74.9	-45.6	0	0	0	108.1
400	N	27.7	Very low	29.3	Very low	137 Å²	137	149.9 Å²	149.9	73%	0.733	79%	0.785	S	S	*	*			cis	-140.4	110	12.1	-165.8	-15.4	0	0	0	111.1	N402	N400-N402 PolarHBondContact O-N 2.98Å; N400-N402 VanDerWaalsContact O-N 3.15Å
401	R	29.6	Very low	29.7	Very low	197 Å²	197	145.6 Å²	145.6	74%	0.743	77%	0.769	S	S	*	*			trans	-80	86.3	169.9	-97.2	-176.1	170.1	160.2	-2.8	108.7
402	N	27.6	Very low	30.7	Very low	145 Å²	145	143 Å²	143	78%	0.775	75%	0.751	S	S	*	*			trans	176.5	75.9	151.9	-92.7	-22.2	0	0	0	113.2	N400	N400-N402 PolarHBondContact O-N 2.98Å; N400-N402 VanDerWaalsContact O-N 3.15Å
403	R	28.7	Very low	31.8	Very low	242 Å²	242	143.6 Å²	143.6	91%	0.913	75%	0.745	S	S	*	*	S	Bend	trans	-175.8	136.9	145.5	-104.2	157	-171.5	-167.4	2.4	112.3
404	M	27.4	Very low	33.2	Very low	163 Å²	163	138.6 Å²	138.6	80%	0.803	71%	0.714	S	S	*	*			trans	45.3	102.7	155.8	-60.9	-57.9	172	0	0	120.1
405	N	27.6	Very low	34.9	Very low	150 Å²	150	134.9 Å²	134.9	80%	0.802	69%	0.694	S	S	*	*			trans	21.1	100.7	130.6	-57.7	-12.7	0	0	0	118.3
406	D	31.7	Very low	37.4	Very low	145 Å²	145	129.5 Å²	129.5	78%	0.775	66%	0.656	S	S	*	*			trans	-150.7	130.3	142.5	-145.1	-8.1	0	0	0	110.9
407	H	30	Very low	39.7	Very low	187 Å²	187	127 Å²	127	87%	0.866	64%	0.636	S	S	*	*			trans	-99.3	96.5	-174.6	-82.8	-83.4	0	0	0	111
408	K	32.5	Very low	42.5	Very low	183 Å²	183	126 Å²	126	80%	0.796	62%	0.622	S	S	*	*			trans	-124.2	153.9	166.6	-86.3	174.6	179.4	160.5	0	112.5
409	S	33.6	Very low	45.1	Very low	106 Å²	106	126.7 Å²	126.7	74%	0.741	62%	0.623	S	S	*	*			trans	-63.9	137.6	-169.8	47.6	0	0	0	0	113.4	S411	S409-S411 PolarHBondContact O-N 3.47Å; S409-S411 VanDerWaalsContact O-N 3.11Å
410	I	32.2	Very low	47.7	Very low	133 Å²	133	120.1 Å²	120.1	68%	0.682	59%	0.593	S	S	*	*			trans	-77.2	96.2	172.8	-55	172.4	0	0	0	108.8
411	S	37	Very low	50.6	Low	71 Å²	71	113.7 Å²	113.7	50%	0.497	56%	0.558	S	S	.	*			trans	-118.3	123.2	152.1	55.5	0	0	0	0	106.6	S409 L413	S409-S411 PolarHBondContact O-N 3.47Å; S409-S411 VanDerWaalsContact O-N 3.11Å; S411-L413 PolarHBondContact O-N 3.11Å
412	S	44.4	Very low	53.4	Low	50 Å²	50	106.3 Å²	106.3	35%	0.35	54%	0.537	S	S	.	.			trans	-58.3	130.5	169.8	35	0	0	0	0	108.6	V414 P463	S412-V414 PolarHBondContact O-N 3.43Å; S412-P463 WeakPolarHBondContact OG-CB 3.36Å; S412-P463 WeakPolarHBondContact OG-CG 3.35Å
413	L	51.3	Low	56.1	Low	119 Å²	119	103.1 Å²	103.1	62%	0.623	52%	0.517	S	S	*	.			trans	-74.9	114.2	-177.1	-119	67.9	0	0	0	108	S411 S415	S411-L413 PolarHBondContact O-N 3.11Å; L413-S415 PolarHBondContact O-N 3.01Å
414	V	57.4	Low	58.9	Low	12 Å²	12	92.1 Å²	92.1	7%	0.073	48%	0.476	C	S	.	.			trans	-70.7	84.2	175.1	-175	0	0	0	0	109.3	H295 I298 S412 R461	H295-V414 PolarHBondContact CE1-O 3.23Å; H295-V414 PolarHBondContact ND1-O 3.09Å; I298-V414 HydrophobicContact CD1-CB 3.56Å; I298-V414 HydrophobicContact CD1-CG1 3.54Å; I298-V414 HydrophobicContact CD1-CG2 3.97Å; I298-V414 HydrophobicContact CG2-CG2 4.38Å; S412-V414 PolarHBondContact O-N 3.43Å; V414-R461 HydrophobicContact CB-CB 4.32Å; V414-R461 HydrophobicContact CG1-CB 3.76Å; V414-R461 HydrophobicContact CG1-CG 4.37Å; V414-R461 HydrophobicContact CG2-CB 3.67Å; V414-R461 WeakPolarHBondContact CG2-O 3.49Å
415	S	65.9	Low	61.9	Low	54 Å²	54	84.4 Å²	84.4	38%	0.378	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-98.7	136.8	168.2	48.7	0	0	0	0	108.6	L413 R461	L413-S415 PolarHBondContact O-N 3.01Å; S415-R461 PolarHBondContact O-NH1 3.37Å; S415-R461 VanDerWaalsContact O-NH1 3.09Å
416	T	77.6	Confident	64.7	Low	1 Å²	1	84.5 Å²	84.5	1%	0.006	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-64.9	151.4	153.4	60	0	0	0	0	109.1	Y287 N291 L294 E420 I424 L457	Y287-T416 WeakPolarHBondContact CE2-O 3.25Å; Y287-T416 PolarHBondContact OH-O 3.32Å; N291-T416 PolarHBondContact ND2-O 2.88Å; N291-T416 PolarHBondContact OD1-N 2.91Å; N291-T416 PolarHBondContact OD1-OG1 3.08Å; L294-T416 HydrophobicContact CD1-CG2 3.77Å; T416-E420 WeakPolarHBondContact CA-OE2 3.34Å; T416-I424 HydrophobicContact CG2-CD1 3.97Å; T416-L457 HydrophobicContact CG2-CD1 4.41Å; T416-L457 HydrophobicContact CG2-CD2 3.9Å
417	N	83.6	Confident	67.1	Low	70 Å²	70	81.9 Å²	81.9	37%	0.374	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-89.7	168.5	163.7	75.2	56.1	0	0	0	110.9	Y287 K419 E420 F421	Y287-N417 VanDerWaalsContact CE2-C 3.43Å; N417-K419 VanDerWaalsContact C-N 3.29Å; N417-K419 PolarHBondContact O-N 2.9Å; N417-K419 WeakPolarHBondContact OD1-CA 3.27Å; N417-K419 VanDerWaalsContact OD1-CB 3.28Å; N417-K419 WeakPolarHBondContact OD1-CB 3.39Å; N417-K419 PolarHBondContact OD1-N 3.01Å; N417-E420 PolarHBondContact N-OE2 2.78Å; N417-E420 WeakPolarHBondContact ND2-CG 3.48Å; N417-E420 PolarHBondContact ND2-OE1 2.72Å; N417-E420 WeakPolarHBondContact O-CB 3.17Å; N417-E420 PolarHBondContact O-N 2.8Å; N417-E420 PolarHBondContact OD1-N 3.14Å; N417-F421 PolarHBondContact O-N 3.41Å
418	Y	86.1	Confident	69.9	Low	136 Å²	136	73.7 Å²	73.7	53%	0.533	37%	0.369	S	S	.	.	H	α-helix	trans	-64.6	-30	-175.7	-175.5	-101.8	0	0	0	113.6	Y287 F421 S422 C438	Y287-Y418 HydrophobicContact CG-CD2 4.31Å; Y418-F421 HydrophobicContact CD2-CD1 4.38Å; Y418-F421 HydrophobicContact CE2-CD1 4.4Å; Y418-F421 PolarHBondContact O-N 3.44Å; Y418-S422 WeakPolarHBondContact O-CB 3.5Å; Y418-S422 PolarHBondContact O-N 3.38Å; Y418-S422 PolarHBondContact O-OG 3.17Å; Y418-C438 WeakPolarHBondContact OH-CB 3.34Å
419	K	85.7	Confident	72.6	Confident	169 Å²	169	65.3 Å²	65.3	74%	0.735	33%	0.332	S	S	*	.	H	α-helix	trans	-68.5	-48.2	174.6	-172.8	-174.6	177.4	-172.8	0	110.5	N417 F421 S422 E423	N417-K419 VanDerWaalsContact C-N 3.29Å; N417-K419 PolarHBondContact O-N 2.9Å; N417-K419 WeakPolarHBondContact OD1-CA 3.27Å; N417-K419 VanDerWaalsContact OD1-CB 3.28Å; N417-K419 WeakPolarHBondContact OD1-CB 3.39Å; N417-K419 PolarHBondContact OD1-N 3.01Å; K419-F421 VanDerWaalsContact C-N 3.3Å; K419-F421 PolarHBondContact O-N 3.05Å; K419-S422 WeakPolarHBondContact CA-OG 3.47Å; K419-S422 PolarHBondContact O-N 3.31Å; K419-S422 PolarHBondContact O-OG 3.21Å; K419-E423 WeakPolarHBondContact O-CB 3.44Å; K419-E423 PolarHBondContact O-N 3.23Å
420	E	84.3	Confident	75	Confident	53 Å²	53	62.5 Å²	62.5	25%	0.248	31%	0.311	C	S	.	.	H	α-helix	trans	-55.9	-43.2	172.9	-70.9	167.1	-175.2	0	0	111.7	T416 N417 E423 I424 R461	T416-E420 WeakPolarHBondContact CA-OE2 3.34Å; N417-E420 PolarHBondContact N-OE2 2.78Å; N417-E420 WeakPolarHBondContact ND2-CG 3.48Å; N417-E420 PolarHBondContact ND2-OE1 2.72Å; N417-E420 WeakPolarHBondContact O-CB 3.17Å; N417-E420 PolarHBondContact O-N 2.8Å; N417-E420 PolarHBondContact OD1-N 3.14Å; E420-E423 PolarHBondContact O-N 3.38Å; E420-I424 WeakPolarHBondContact O-CB 3.21Å; E420-I424 VanDerWaalsContact O-CG1 3.28Å; E420-I424 WeakPolarHBondContact O-CG1 3.42Å; E420-I424 PolarHBondContact O-N 3.18Å; E420-R461 IonicContact OE1-CZ 2.79Å; E420-R461 IonicContact OE1-NH1 3.8Å; E420-R461 PolarHBondContact OE1-NH1 2.82Å; E420-R461 IonicContact OE1-NH2 2.66Å; E420-R461 PolarHBondContact OE1-NH2 3.47Å; E420-R461 IonicContact OE2-CZ 3.7Å; E420-R461 IonicContact OE2-NH1 2.85Å; E420-R461 PolarHBondContact OE2-NH1 3.32Å; E420-R461 IonicContact OE2-NH2 2.82Å
421	F	88.9	Confident	77.5	Confident	1 Å²	1	59.4 Å²	59.4	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-67.5	-40.6	176	176.4	-109.6	0	0	0	113	Y287 L290 N417 Y418 K419 E423 I424 V425 C438	Y287-F421 HydrophobicContact CD2-CB 3.66Å; Y287-F421 HydrophobicContact CD2-CD1 4.1Å; Y287-F421 AromaticContact CD2-CG 3.89Å; Y287-F421 HydrophobicContact CD2-CG 3.89Å; Y287-F421 HydrophobicContact CE2-CB 4.31Å; Y287-F421 HydrophobicContact CG-CD1 4.31Å; Y287-F421 HydrophobicContact CG-CG 4.5Å; Y287-F421 VanDerWaalsContact N-CE1 3.34Å; Y287-F421 VanDerWaalsContact N-CZ 3.31Å; L290-F421 HydrophobicContact CB-CD2 4.46Å; L290-F421 HydrophobicContact CB-CE2 4.22Å; L290-F421 HydrophobicContact CD2-CD2 3.6Å; L290-F421 HydrophobicContact CD2-CE2 3.87Å; N417-F421 PolarHBondContact O-N 3.41Å; Y418-F421 HydrophobicContact CD2-CD1 4.38Å; Y418-F421 HydrophobicContact CE2-CD1 4.4Å; Y418-F421 PolarHBondContact O-N 3.44Å; K419-F421 VanDerWaalsContact C-N 3.3Å; K419-F421 PolarHBondContact O-N 3.05Å; F421-E423 PolarHBondContact O-N 3.32Å; F421-I424 PolarHBondContact O-N 3.31Å; F421-V425 HydrophobicContact CD2-CG2 4.4Å; F421-V425 HydrophobicContact CE1-CG2 4.05Å; F421-V425 HydrophobicContact CE2-CG2 3.9Å; F421-V425 HydrophobicContact CZ-CG2 3.7Å; F421-V425 WeakPolarHBondContact O-CG2 3.01Å; F421-V425 PolarHBondContact O-N 3.09Å; F421-C438 VanDerWaalsContact CE1-O 3.3Å; F421-C438 WeakPolarHBondContact CE1-O 3.39Å
422	S	87.3	Confident	79.8	Confident	43 Å²	43	62.8 Å²	62.8	30%	0.301	30%	0.303	S	S	.	.	H	α-helix	trans	-63.7	-32.9	175.3	70.7	0	0	0	0	112.5	Y418 K419 R426	Y418-S422 WeakPolarHBondContact O-CB 3.5Å; Y418-S422 PolarHBondContact O-N 3.38Å; Y418-S422 PolarHBondContact O-OG 3.17Å; K419-S422 WeakPolarHBondContact CA-OG 3.47Å; K419-S422 PolarHBondContact O-N 3.31Å; K419-S422 PolarHBondContact O-OG 3.21Å; S422-R426 WeakPolarHBondContact O-CB 3.24Å; S422-R426 PolarHBondContact O-N 3.47Å
423	E	85.6	Confident	81.7	Confident	78 Å²	78	65.1 Å²	65.1	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-72.1	-42.7	174.6	-174.7	64.8	-171.7	0	0	111.6	K419 E420 F421 V425 R426 R427	K419-E423 WeakPolarHBondContact O-CB 3.44Å; K419-E423 PolarHBondContact O-N 3.23Å; E420-E423 PolarHBondContact O-N 3.38Å; F421-E423 PolarHBondContact O-N 3.32Å; E423-V425 VanDerWaalsContact C-N 3.35Å; E423-V425 PolarHBondContact O-N 3.07Å; E423-R426 PolarHBondContact O-N 3.02Å; E423-R427 WeakPolarHBondContact O-CG 3.49Å; E423-R427 PolarHBondContact O-N 3.44Å; E423-R427 IonicContact OE1-CZ 2.93Å; E423-R427 IonicContact OE1-NE 3.12Å; E423-R427 PolarHBondContact OE1-NE 3.18Å; E423-R427 IonicContact OE1-NH2 3.2Å; E423-R427 PolarHBondContact OE1-NH2 3.03Å
424	I	87.2	Confident	83.4	Confident	10 Å²	10	59.4 Å²	59.4	5%	0.051	28%	0.275	C	S	.	.	H	α-helix	trans	-57	-46.7	171.8	-75.9	164.3	0	0	0	110.9	L290 T416 E420 F421 R427 Y428 L448 L457	L290-I424 HydrophobicContact CD2-CG2 4.45Å; T416-I424 HydrophobicContact CG2-CD1 3.97Å; E420-I424 WeakPolarHBondContact O-CB 3.21Å; E420-I424 VanDerWaalsContact O-CG1 3.28Å; E420-I424 WeakPolarHBondContact O-CG1 3.42Å; E420-I424 PolarHBondContact O-N 3.18Å; F421-I424 PolarHBondContact O-N 3.31Å; I424-R427 PolarHBondContact O-N 3.24Å; I424-Y428 HydrophobicContact CG2-CD2 4.19Å; I424-Y428 VanDerWaalsContact O-CD2 3.31Å; I424-Y428 WeakPolarHBondContact O-CD2 3.42Å; I424-Y428 PolarHBondContact O-N 3.37Å; I424-Y428 VanDerWaalsContact O-N 3.08Å; I424-L448 HydrophobicContact CG2-CD1 4.12Å; I424-L448 HydrophobicContact CG2-CD2 3.83Å; I424-L457 HydrophobicContact CD1-CD1 4.01Å
425	V	89.3	Confident	84.7	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-46.9	174.5	171.7	0	0	0	0	110.2	F421 E423 R427 Y428 E429 V435 L439 L440	F421-V425 HydrophobicContact CD2-CG2 4.4Å; F421-V425 HydrophobicContact CE1-CG2 4.05Å; F421-V425 HydrophobicContact CE2-CG2 3.9Å; F421-V425 HydrophobicContact CZ-CG2 3.7Å; F421-V425 WeakPolarHBondContact O-CG2 3.01Å; F421-V425 PolarHBondContact O-N 3.09Å; E423-V425 VanDerWaalsContact C-N 3.35Å; E423-V425 PolarHBondContact O-N 3.07Å; V425-R427 VanDerWaalsContact C-N 3.26Å; V425-R427 PolarHBondContact O-N 3.29Å; V425-Y428 PolarHBondContact O-N 2.87Å; V425-E429 HydrophobicContact CG1-CB 3.96Å; V425-E429 HydrophobicContact CG1-CG 4.43Å; V425-E429 WeakPolarHBondContact O-CB 3.35Å; V425-E429 PolarHBondContact O-N 3.46Å; V425-V435 HydrophobicContact CG1-CG2 4.45Å; V425-L439 WeakPolarHBondContact CG1-O 3.21Å; V425-L440 HydrophobicContact CG2-CB 4.37Å; V425-L440 HydrophobicContact CG2-CD1 4.3Å
426	R	86	Confident	85.7	Confident	151 Å²	151	62 Å²	62	57%	0.57	29%	0.292	S	S	*	.	H	α-helix	trans	-61.9	-28.7	-177.7	-157.2	-176.7	-155.6	112	3.3	114.2	S422 E423	S422-R426 WeakPolarHBondContact O-CB 3.24Å; S422-R426 PolarHBondContact O-N 3.47Å; E423-R426 PolarHBondContact O-N 3.02Å
427	R	83.7	Confident	86.1	Confident	91 Å²	91	67.6 Å²	67.6	34%	0.343	32%	0.316	S	S	.	.	H	α-helix	trans	-89.4	-35.2	179.6	-68.1	176.8	-172.3	-160.7	0.1	114.3	H14 E423 I424 V425	H14-R427 PolarHBondContact CD2-NH1 3.11Å; E423-R427 WeakPolarHBondContact O-CG 3.49Å; E423-R427 PolarHBondContact O-N 3.44Å; E423-R427 IonicContact OE1-CZ 2.93Å; E423-R427 IonicContact OE1-NE 3.12Å; E423-R427 PolarHBondContact OE1-NE 3.18Å; E423-R427 IonicContact OE1-NH2 3.2Å; E423-R427 PolarHBondContact OE1-NH2 3.03Å; I424-R427 PolarHBondContact O-N 3.24Å; V425-R427 VanDerWaalsContact C-N 3.26Å; V425-R427 PolarHBondContact O-N 3.29Å
428	Y	89.2	Confident	86.4	Confident	15 Å²	15	65.1 Å²	65.1	6%	0.059	30%	0.304	C	S	.	.	H	α-helix	trans	-109.4	-11.9	-170.5	-62.3	-61.1	0	0	0	114.4	L166 I424 V425 G444 R447 L448 S451 T453	L166-Y428 HydrophobicContact CD2-CD1 4.24Å; L166-Y428 HydrophobicContact CD2-CE1 3.84Å; I424-Y428 HydrophobicContact CG2-CD2 4.19Å; I424-Y428 VanDerWaalsContact O-CD2 3.31Å; I424-Y428 WeakPolarHBondContact O-CD2 3.42Å; I424-Y428 PolarHBondContact O-N 3.37Å; I424-Y428 VanDerWaalsContact O-N 3.08Å; V425-Y428 PolarHBondContact O-N 2.87Å; Y428-G444 WeakPolarHBondContact O-CA 3.46Å; Y428-R447 HydrophobicContact CD1-CB 4.06Å; Y428-R447 HydrophobicContact CG-CB 4.48Å; Y428-R447 WeakPolarHBondContact O-CD 3.08Å; Y428-L448 HydrophobicContact CD2-CB 4.21Å; Y428-L448 HydrophobicContact CD2-CD1 3.91Å; Y428-L448 HydrophobicContact CE2-CD1 3.8Å; Y428-L448 HydrophobicContact CG-CB 4.37Å; Y428-S451 WeakPolarHBondContact OH-CB 3.27Å; Y428-S451 PolarHBondContact OH-OG 3.06Å; Y428-T453 WeakPolarHBondContact OH-CB 3.41Å; Y428-T453 PolarHBondContact OH-OG1 3.02Å
429	E	88.6	Confident	86.6	Confident	6 Å²	6	60.2 Å²	60.2	3%	0.028	29%	0.287	C	S	.	.			trans	-96.4	114.9	-179.5	-170.1	60	-128.8	0	0	112.2	V425 N431 A434 V435 L440 T441	V425-E429 HydrophobicContact CG1-CB 3.96Å; V425-E429 HydrophobicContact CG1-CG 4.43Å; V425-E429 WeakPolarHBondContact O-CB 3.35Å; V425-E429 PolarHBondContact O-N 3.46Å; E429-N431 HydrophobicContact CG-CB 4.38Å; E429-N431 VanDerWaalsContact OE1-CB 3.27Å; E429-N431 WeakPolarHBondContact OE1-CB 3.46Å; E429-N431 PolarHBondContact OE1-N 3.19Å; E429-A434 HydrophobicContact CG-CB 3.64Å; E429-V435 HydrophobicContact CB-CG2 3.77Å; E429-V435 HydrophobicContact CG-CG2 3.84Å; E429-V435 WeakPolarHBondContact O-CG2 3.4Å; E429-L440 HydrophobicContact CB-CD1 4.47Å; E429-L440 WeakPolarHBondContact OE2-CA 3.25Å; E429-T441 VanDerWaalsContact CD-OG1 3.24Å; E429-T441 WeakPolarHBondContact OE1-CB 3.44Å; E429-T441 WeakPolarHBondContact OE1-CG2 3.47Å; E429-T441 PolarHBondContact OE1-OG1 3.06Å; E429-T441 PolarHBondContact OE2-N 2.69Å; E429-T441 PolarHBondContact OE2-OG1 3.47Å
430	T	83.8	Confident	86.7	Confident	48 Å²	48	52.2 Å²	52.2	29%	0.294	25%	0.252	S	S	.	.			trans	-72	-33.6	172.4	46.1	0	0	0	0	112.5	D256 Q432 E443 R447	D256-T430 HydrophobicContact CB-CG2 4.45Å; T430-Q432 PolarHBondContact O-N 2.75Å; T430-Q432 VanDerWaalsContact O-N 3.13Å; T430-E443 VanDerWaalsContact CG2-OE1 3.29Å; T430-E443 WeakPolarHBondContact CG2-OE1 3.31Å; T430-E443 VanDerWaalsContact OG1-CD 3.3Å; T430-E443 PolarHBondContact OG1-OE1 3Å; T430-E443 PolarHBondContact OG1-OE2 3.19Å; T430-R447 VanDerWaalsContact CG2-CZ 3.42Å
431	N	84.8	Confident	87	Confident	67 Å²	67	50.5 Å²	50.5	36%	0.358	25%	0.246	S	C	.	.			trans	-76.7	104.3	-172.5	-171.3	-41.7	0	0	0	111.3	E429 Y433 A434 V435 T441	E429-N431 HydrophobicContact CG-CB 4.38Å; E429-N431 VanDerWaalsContact OE1-CB 3.27Å; E429-N431 WeakPolarHBondContact OE1-CB 3.46Å; E429-N431 PolarHBondContact OE1-N 3.19Å; N431-Y433 PolarHBondContact O-N 2.73Å; N431-Y433 VanDerWaalsContact O-N 3.09Å; N431-Y433 WeakPolarHBondContact OD1-CB 3.16Å; N431-Y433 PolarHBondContact OD1-N 2.79Å; N431-A434 HydrophobicContact CB-CB 4Å; N431-A434 WeakPolarHBondContact O-CA 3.32Å; N431-A434 WeakPolarHBondContact O-CB 3.46Å; N431-A434 PolarHBondContact O-N 3.41Å; N431-A434 PolarHBondContact OD1-N 2.81Å; N431-V435 PolarHBondContact O-N 3.06Å; N431-T441 HydrophobicContact CB-CG2 4.26Å
432	Q	84.8	Confident	87.1	Confident	142 Å²	142	53.1 Å²	53.1	66%	0.664	26%	0.259	S	S	*	.	H	α-helix	trans	-52.1	-34.2	179.7	-67.1	-176.9	-10.4	0	0	113.9	T430 S436	T430-Q432 PolarHBondContact O-N 2.75Å; T430-Q432 VanDerWaalsContact O-N 3.13Å; Q432-S436 WeakPolarHBondContact O-CB 3.44Å; Q432-S436 PolarHBondContact O-N 2.99Å
433	Y	85.5	Confident	87.1	Confident	99 Å²	99	53 Å²	53	39%	0.388	25%	0.254	S	S	.	.	H	α-helix	trans	-66.5	-44.1	175.2	173.1	-91.7	0	0	0	111.1	F284 N431 S436 K437 F1987	F284-Y433 HydrophobicContact CZ-CD1 4.28Å; F284-Y433 HydrophobicContact CZ-CE1 4.23Å; N431-Y433 PolarHBondContact O-N 2.73Å; N431-Y433 VanDerWaalsContact O-N 3.09Å; N431-Y433 WeakPolarHBondContact OD1-CB 3.16Å; N431-Y433 PolarHBondContact OD1-N 2.79Å; Y433-S436 PolarHBondContact O-N 3.25Å; Y433-S436 PolarHBondContact O-OG 3.08Å; Y433-K437 HydrophobicContact CE1-CG 4.24Å; Y433-K437 HydrophobicContact CE2-CG 4.31Å; Y433-K437 WeakPolarHBondContact O-CG 3.35Å; Y433-K437 PolarHBondContact O-N 2.96Å; Y433-F1987 HydrophobicContact CD2-CZ 4.06Å; Y433-F1987 HydrophobicContact CE2-CZ 4.48Å; Y433-F1987 HydrophobicContact CG-CE2 4.5Å; Y433-F1987 HydrophobicContact CG-CZ 4.39Å
434	A	85.5	Confident	87.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.3	-42.9	177	0	0	0	0	0	111.8	F284 E429 N431 S436 K437 C438 L439 T441	F284-A434 HydrophobicContact CD1-CB 4.25Å; F284-A434 HydrophobicContact CE1-CB 3.96Å; E429-A434 HydrophobicContact CG-CB 3.64Å; N431-A434 HydrophobicContact CB-CB 4Å; N431-A434 WeakPolarHBondContact O-CA 3.32Å; N431-A434 WeakPolarHBondContact O-CB 3.46Å; N431-A434 PolarHBondContact O-N 3.41Å; N431-A434 PolarHBondContact OD1-N 2.81Å; A434-S436 PolarHBondContact O-N 3.45Å; A434-K437 CarbonylContact O-C 3.55Å; A434-K437 PolarHBondContact O-N 3.39Å; A434-K437 VanDerWaalsContact O-N 3.12Å; A434-C438 PolarHBondContact O-N 3.48Å; A434-L439 CarbonylContact C-O 3.6Å; A434-L439 HydrophobicContact CB-CB 4.45Å; A434-L439 WeakPolarHBondContact CB-O 3.28Å; A434-L439 PolarHBondContact O-N 3.32Å; A434-T441 HydrophobicContact CB-CG2 3.99Å
435	V	85.9	Confident	87.5	Confident	38 Å²	38	48.8 Å²	48.8	23%	0.23	23%	0.234	C	C	.	.	H	α-helix	trans	-54.6	-49.6	170.1	177.4	0	0	0	0	111	V425 E429 N431 K437 C438	V425-V435 HydrophobicContact CG1-CG2 4.45Å; E429-V435 HydrophobicContact CB-CG2 3.77Å; E429-V435 HydrophobicContact CG-CG2 3.84Å; E429-V435 WeakPolarHBondContact O-CG2 3.4Å; N431-V435 PolarHBondContact O-N 3.06Å; V435-K437 PolarHBondContact O-N 3.42Å; V435-K437 VanDerWaalsContact O-N 3.1Å; V435-C438 PolarHBondContact O-N 3Å
436	S	85.5	Confident	87.5	Confident	81 Å²	81	49.4 Å²	49.4	57%	0.566	24%	0.236	S	C	*	.	H	α-helix	trans	-62.1	-19.9	-179.6	82.4	0	0	0	0	114.4	Q432 Y433 A434	Q432-S436 WeakPolarHBondContact O-CB 3.44Å; Q432-S436 PolarHBondContact O-N 2.99Å; Y433-S436 PolarHBondContact O-N 3.25Å; Y433-S436 PolarHBondContact O-OG 3.08Å; A434-S436 PolarHBondContact O-N 3.45Å
437	K	87.6	Confident	87.7	Confident	120 Å²	120	42.5 Å²	42.5	52%	0.522	21%	0.211	S	C	.	.	H	α-helix	trans	-103.9	-0.5	177.6	-61.9	-53.6	179.6	-166.7	0	113.6	Y433 A434 V435 L439	Y433-K437 HydrophobicContact CE1-CG 4.24Å; Y433-K437 HydrophobicContact CE2-CG 4.31Å; Y433-K437 WeakPolarHBondContact O-CG 3.35Å; Y433-K437 PolarHBondContact O-N 2.96Å; A434-K437 CarbonylContact O-C 3.55Å; A434-K437 PolarHBondContact O-N 3.39Å; A434-K437 VanDerWaalsContact O-N 3.12Å; V435-K437 PolarHBondContact O-N 3.42Å; V435-K437 VanDerWaalsContact O-N 3.1Å; K437-L439 HydrophobicContact CB-CB 4.48Å; K437-L439 HydrophobicContact CB-CD1 3.78Å; K437-L439 HydrophobicContact CB-CG 3.9Å
438	C	88.8	Confident	88	Confident	17 Å²	17	38.2 Å²	38.2	12%	0.115	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	55.8	-170.3	-167	0	0	0	0	110.8	Y418 F421 A434 V435	Y418-C438 WeakPolarHBondContact OH-CB 3.34Å; F421-C438 VanDerWaalsContact CE1-O 3.3Å; F421-C438 WeakPolarHBondContact CE1-O 3.39Å; A434-C438 PolarHBondContact O-N 3.48Å; V435-C438 PolarHBondContact O-N 3Å
439	L	89.7	Confident	88	Confident	34 Å²	34	37.8 Å²	37.8	18%	0.178	19%	0.193	C	C	.	.			trans	-127.2	150.6	178.8	-69.2	177.2	0	0	0	109.7	F284 N286 V425 A434 K437	F284-L439 HydrophobicContact CB-CB 4.17Å; F284-L439 HydrophobicContact CB-CD1 4.01Å; F284-L439 HydrophobicContact CB-CD2 4.43Å; F284-L439 HydrophobicContact CB-CG 4.44Å; F284-L439 HydrophobicContact CD1-CB 4.17Å; F284-L439 HydrophobicContact CD1-CD1 4.4Å; F284-L439 HydrophobicContact CD2-CD1 4.43Å; F284-L439 HydrophobicContact CG-CB 4.39Å; F284-L439 HydrophobicContact CG-CD1 4.04Å; N286-L439 HydrophobicContact CB-CD2 3.96Å; V425-L439 WeakPolarHBondContact CG1-O 3.21Å; A434-L439 CarbonylContact C-O 3.6Å; A434-L439 HydrophobicContact CB-CB 4.45Å; A434-L439 WeakPolarHBondContact CB-O 3.28Å; A434-L439 PolarHBondContact O-N 3.32Å; K437-L439 HydrophobicContact CB-CB 4.48Å; K437-L439 HydrophobicContact CB-CD1 3.78Å; K437-L439 HydrophobicContact CB-CG 3.9Å
440	L	89.4	Confident	87.9	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-111.5	130.2	178.6	-162.6	70.8	0	0	0	109.8	F275 M285 V425 E429 F445 L448	F275-L440 WeakPolarHBondContact CZ-O 3.22Å; M285-L440 HydrophobicContact CB-CB 4.37Å; M285-L440 PolarHBondContact N-O 2.92Å; M285-L440 PolarHBondContact O-N 2.93Å; V425-L440 HydrophobicContact CG2-CB 4.37Å; V425-L440 HydrophobicContact CG2-CD1 4.3Å; E429-L440 HydrophobicContact CB-CD1 4.47Å; E429-L440 WeakPolarHBondContact OE2-CA 3.25Å; L440-F445 HydrophobicContact CD2-CB 3.97Å; L440-F445 HydrophobicContact CD2-CD2 4.21Å; L440-F445 HydrophobicContact CG-CB 4.31Å; L440-L448 HydrophobicContact CD2-CD2 4.14Å
441	T	90.6	Very high	88.1	Confident	18 Å²	18	35.7 Å²	35.7	11%	0.11	18%	0.18	C	C	.	.			trans	-83.2	175.4	174.4	63	0	0	0	0	111.1	F275 F284 E429 N431 A434 E443 G444 F445	F275-T441 VanDerWaalsContact CE2-O 3.23Å; F275-T441 WeakPolarHBondContact CE2-O 3.24Å; F284-T441 HydrophobicContact CD1-CG2 3.91Å; F284-T441 HydrophobicContact CE1-CG2 3.69Å; E429-T441 VanDerWaalsContact CD-OG1 3.24Å; E429-T441 WeakPolarHBondContact OE1-CB 3.44Å; E429-T441 WeakPolarHBondContact OE1-CG2 3.47Å; E429-T441 PolarHBondContact OE1-OG1 3.06Å; E429-T441 PolarHBondContact OE2-N 2.69Å; E429-T441 PolarHBondContact OE2-OG1 3.47Å; N431-T441 HydrophobicContact CB-CG2 4.26Å; A434-T441 HydrophobicContact CB-CG2 3.99Å; T441-E443 PolarHBondContact O-N 2.91Å; T441-E443 PolarHBondContact OG1-N 2.7Å; T441-G444 PolarHBondContact OG1-N 2.6Å; T441-G444 VanDerWaalsContact OG1-N 3.14Å; T441-F445 WeakPolarHBondContact O-CB 3.24Å; T441-F445 PolarHBondContact O-N 2.68Å
442	N	89.6	Confident	87.9	Confident	55 Å²	55	33.2 Å²	33.2	29%	0.294	17%	0.168	S	C	.	.	H	α-helix	trans	-61.5	-31.6	171.1	-176.1	59.5	0	0	0	112.1	A272 F275 Y446	A272-N442 WeakPolarHBondContact CA-OD1 3.3Å; F275-N442 VanDerWaalsContact CB-OD1 3.24Å; F275-N442 WeakPolarHBondContact CB-OD1 3.42Å; F275-N442 HydrophobicContact CD1-CB 3.92Å; F275-N442 HydrophobicContact CD2-CB 4.36Å; F275-N442 HydrophobicContact CE1-CB 4.09Å; F275-N442 HydrophobicContact CG-CB 4.05Å; F275-N442 HydrophobicContact CZ-CB 4.38Å; F275-N442 VanDerWaalsContact CZ-N 3.32Å; N442-Y446 WeakPolarHBondContact O-CB 3.35Å; N442-Y446 PolarHBondContact O-N 3.33Å
443	E	87.9	Confident	87.9	Confident	40 Å²	40	27.3 Å²	27.3	19%	0.187	14%	0.142	C	C	.	.	H	α-helix	trans	-72.2	-51.4	177.4	-163.8	-146.7	132.6	0	0	110.8	F259 I263 T430 T441 F445 Y446 R447	F259-E443 HydrophobicContact CE1-CG 4.26Å; I263-E443 HydrophobicContact CD1-CG 3.83Å; T430-E443 VanDerWaalsContact CG2-OE1 3.29Å; T430-E443 WeakPolarHBondContact CG2-OE1 3.31Å; T430-E443 VanDerWaalsContact OG1-CD 3.3Å; T430-E443 PolarHBondContact OG1-OE1 3Å; T430-E443 PolarHBondContact OG1-OE2 3.19Å; T441-E443 PolarHBondContact O-N 2.91Å; T441-E443 PolarHBondContact OG1-N 2.7Å; E443-F445 VanDerWaalsContact C-N 3.27Å; E443-F445 PolarHBondContact O-N 3.36Å; E443-Y446 WeakPolarHBondContact O-CA 3.33Å; E443-Y446 WeakPolarHBondContact O-CB 3.36Å; E443-Y446 PolarHBondContact O-N 2.69Å; E443-R447 PolarHBondContact O-N 3.17Å; E443-R447 IonicContact OE1-CZ 2.72Å; E443-R447 IonicContact OE1-NE 3.23Å; E443-R447 PolarHBondContact OE1-NE 3.01Å; E443-R447 IonicContact OE1-NH2 3.8Å; E443-R447 PolarHBondContact OE1-NH2 3.47Å
444	G	89.4	Confident	87.8	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-33.4	176.2	0	0	0	0	0	113.2	Y428 T441 L448	Y428-G444 WeakPolarHBondContact O-CA 3.46Å; T441-G444 PolarHBondContact OG1-N 2.6Å; T441-G444 VanDerWaalsContact OG1-N 3.14Å; G444-L448 WeakPolarHBondContact O-CB 3.22Å; G444-L448 PolarHBondContact O-N 3.21Å
445	F	91.2	Very high	87.3	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66	-39.5	170.3	-179	-113.8	0	0	0	112.1	I271 L274 F275 M285 L290 F293 L440 T441 E443 L448 L449	I271-F445 HydrophobicContact CG2-CD1 4.35Å; L274-F445 HydrophobicContact CD2-CE1 4.23Å; L274-F445 HydrophobicContact CD2-CZ 4.38Å; L274-F445 HydrophobicContact CG-CE1 4.28Å; L274-F445 HydrophobicContact CG-CZ 4.49Å; F275-F445 HydrophobicContact CB-CD1 4Å; F275-F445 HydrophobicContact CB-CE1 4.27Å; F275-F445 HydrophobicContact CD2-CB 3.68Å; F275-F445 AromaticContact CD2-CD1 3.71Å; F275-F445 HydrophobicContact CD2-CD1 3.71Å; F275-F445 HydrophobicContact CD2-CE1 4.47Å; F275-F445 AromaticContact CD2-CG 3.77Å; F275-F445 HydrophobicContact CD2-CG 3.77Å; F275-F445 HydrophobicContact CE2-CB 3.93Å; F275-F445 HydrophobicContact CE2-CG 4.41Å; F275-F445 HydrophobicContact CG-CD1 4.35Å; M285-F445 HydrophobicContact CE-CD2 3.8Å; M285-F445 HydrophobicContact CE-CE1 4.42Å; M285-F445 HydrophobicContact CE-CE2 3.71Å; M285-F445 HydrophobicContact CE-CG 4.22Å; M285-F445 HydrophobicContact CE-CZ 4.03Å; M285-F445 HydrophobicContact SD-CD2 3.89Å; M285-F445 HydrophobicContact SD-CE2 3.99Å; L290-F445 HydrophobicContact CD1-CD2 4.36Å; L290-F445 HydrophobicContact CD1-CE2 4.25Å; F293-F445 AromaticContact CD1-CE2 3.8Å; F293-F445 HydrophobicContact CD1-CE2 3.8Å; F293-F445 HydrophobicContact CD1-CZ 4.14Å; F293-F445 HydrophobicContact CD2-CZ 4.11Å; F293-F445 AromaticContact CE1-CE2 3.77Å; F293-F445 HydrophobicContact CE1-CE2 3.77Å; F293-F445 AromaticContact CE1-CZ 3.93Å; F293-F445 HydrophobicContact CE1-CZ 3.93Å; F293-F445 AromaticContact CE2-CZ 3.91Å; F293-F445 HydrophobicContact CE2-CZ 3.91Å; F293-F445 HydrophobicContact CG-CE2 4.2Å; F293-F445 HydrophobicContact CG-CZ 4.23Å; F293-F445 HydrophobicContact CZ-CE2 4.17Å; F293-F445 AromaticContact CZ-CZ 3.84Å; F293-F445 HydrophobicContact CZ-CZ 3.84Å; L440-F445 HydrophobicContact CD2-CB 3.97Å; L440-F445 HydrophobicContact CD2-CD2 4.21Å; L440-F445 HydrophobicContact CG-CB 4.31Å; T441-F445 WeakPolarHBondContact O-CB 3.24Å; T441-F445 PolarHBondContact O-N 2.68Å; E443-F445 VanDerWaalsContact C-N 3.27Å; E443-F445 PolarHBondContact O-N 3.36Å; F445-L448 PolarHBondContact O-N 2.94Å; F445-L449 HydrophobicContact CD1-CD1 3.95Å; F445-L449 HydrophobicContact CE1-CD1 3.54Å; F445-L449 HydrophobicContact CE1-CG 4.28Å; F445-L449 HydrophobicContact CE2-CD1 4.43Å; F445-L449 HydrophobicContact CE2-CD2 4.37Å; F445-L449 HydrophobicContact CE2-CG 4.33Å; F445-L449 HydrophobicContact CZ-CD1 3.81Å; F445-L449 HydrophobicContact CZ-CD2 4.24Å; F445-L449 HydrophobicContact CZ-CG 4.17Å; F445-L449 VanDerWaalsContact O-CG 3.31Å; F445-L449 WeakPolarHBondContact O-CG 3.33Å; F445-L449 PolarHBondContact O-N 3.27Å
446	Y	90.6	Very high	86.7	Confident	15 Å²	15	27 Å²	27	6%	0.059	14%	0.139	C	C	.	.	H	α-helix	trans	-67.5	-44	175.7	-171.8	-145.1	0	0	0	111.8	F259 F262 I263 R268 I271 N442 E443 L448 L449 L450	F259-Y446 HydrophobicContact CZ-CD1 4.07Å; F259-Y446 HydrophobicContact CZ-CE1 4.44Å; F262-Y446 HydrophobicContact CE1-CE1 4.12Å; I263-Y446 HydrophobicContact CD1-CD1 4.1Å; I263-Y446 HydrophobicContact CG1-CD1 4.12Å; I263-Y446 HydrophobicContact CG1-CE1 4.13Å; R268-Y446 HydrophobicContact CG-CE1 3.98Å; R268-Y446 HydrophobicContact CG-CE2 4.32Å; I271-Y446 HydrophobicContact CB-CD2 4.46Å; I271-Y446 HydrophobicContact CD1-CD2 4.33Å; I271-Y446 HydrophobicContact CD1-CE2 4.43Å; I271-Y446 HydrophobicContact CG1-CD2 3.93Å; I271-Y446 HydrophobicContact CG1-CE2 4Å; I271-Y446 HydrophobicContact CG2-CD2 3.99Å; I271-Y446 HydrophobicContact CG2-CG 4.19Å; N442-Y446 WeakPolarHBondContact O-CB 3.35Å; N442-Y446 PolarHBondContact O-N 3.33Å; E443-Y446 WeakPolarHBondContact O-CA 3.33Å; E443-Y446 WeakPolarHBondContact O-CB 3.36Å; E443-Y446 PolarHBondContact O-N 2.69Å; Y446-L448 VanDerWaalsContact C-N 3.34Å; Y446-L448 PolarHBondContact O-N 3.21Å; Y446-L449 PolarHBondContact O-N 3.34Å; Y446-L449 VanDerWaalsContact O-N 3.17Å; Y446-L450 HydrophobicContact CD1-CD1 4.33Å; Y446-L450 HydrophobicContact CD2-CD1 4.11Å; Y446-L450 HydrophobicContact CD2-CD2 4.49Å; Y446-L450 HydrophobicContact CD2-CG 4.04Å; Y446-L450 HydrophobicContact CE1-CD1 4.03Å; Y446-L450 HydrophobicContact CE2-CD1 3.78Å; Y446-L450 HydrophobicContact CE2-CD2 3.8Å; Y446-L450 HydrophobicContact CE2-CG 3.77Å; Y446-L450 HydrophobicContact CG-CD1 4.37Å; Y446-L450 WeakPolarHBondContact O-CG 3.14Å; Y446-L450 PolarHBondContact O-N 3.04Å
447	R	90.1	Very high	86.3	Confident	7 Å²	7	23.9 Å²	23.9	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-55	-47.6	172.1	-71.1	175.2	-179.3	-119.9	5.6	111.4	D256 F259 D260 Y428 T430 E443 L449 L450 S451	D256-R447 IonicContact OD1-CZ 2.84Å; D256-R447 VanDerWaalsContact OD1-CZ 3.31Å; D256-R447 IonicContact OD1-NH1 3.77Å; D256-R447 PolarHBondContact OD1-NH1 2.81Å; D256-R447 IonicContact OD1-NH2 3.64Å; D256-R447 PolarHBondContact OD1-NH2 3.19Å; F259-R447 HydrophobicContact CD1-CG 4.08Å; F259-R447 HydrophobicContact CE1-CG 3.32Å; F259-R447 HydrophobicContact CE2-CG 4.26Å; F259-R447 HydrophobicContact CZ-CB 4.48Å; F259-R447 HydrophobicContact CZ-CG 3.45Å; F259-R447 VanDerWaalsContact CZ-CG 3.45Å; D260-R447 IonicContact OD1-NH2 2.69Å; Y428-R447 HydrophobicContact CD1-CB 4.06Å; Y428-R447 HydrophobicContact CG-CB 4.48Å; Y428-R447 WeakPolarHBondContact O-CD 3.08Å; T430-R447 VanDerWaalsContact CG2-CZ 3.42Å; E443-R447 PolarHBondContact O-N 3.17Å; E443-R447 IonicContact OE1-CZ 2.72Å; E443-R447 IonicContact OE1-NE 3.23Å; E443-R447 PolarHBondContact OE1-NE 3.01Å; E443-R447 IonicContact OE1-NH2 3.8Å; E443-R447 PolarHBondContact OE1-NH2 3.47Å; R447-L449 PolarHBondContact O-N 2.69Å; R447-L450 PolarHBondContact O-N 2.72Å; R447-S451 PolarHBondContact O-N 2.84Å
448	L	90	Very high	85.3	Confident	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-57.6	-49.2	174.1	176.3	61.8	0	0	0	111.9	L290 I424 Y428 L440 G444 F445 Y446 L450 S451 Y454	L290-L448 HydrophobicContact CD1-CD2 3.86Å; L290-L448 HydrophobicContact CD2-CD2 4.21Å; I424-L448 HydrophobicContact CG2-CD1 4.12Å; I424-L448 HydrophobicContact CG2-CD2 3.83Å; Y428-L448 HydrophobicContact CD2-CB 4.21Å; Y428-L448 HydrophobicContact CD2-CD1 3.91Å; Y428-L448 HydrophobicContact CE2-CD1 3.8Å; Y428-L448 HydrophobicContact CG-CB 4.37Å; L440-L448 HydrophobicContact CD2-CD2 4.14Å; G444-L448 WeakPolarHBondContact O-CB 3.22Å; G444-L448 PolarHBondContact O-N 3.21Å; F445-L448 PolarHBondContact O-N 2.94Å; Y446-L448 VanDerWaalsContact C-N 3.34Å; Y446-L448 PolarHBondContact O-N 3.21Å; L448-L450 PolarHBondContact O-N 3.48Å; L448-S451 WeakPolarHBondContact O-CB 3.24Å; L448-S451 PolarHBondContact O-N 3.4Å; L448-S451 PolarHBondContact O-OG 3.45Å; L448-Y454 WeakPolarHBondContact O-CB 3.41Å
449	L	88.4	Confident	84	Confident	6 Å²	6	22.1 Å²	22.1	3%	0.031	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-27.6	-179.9	-72	177.6	0	0	0	114.3	I271 L274 F293 I326 H330 F445 Y446 R447 Y454	I271-L449 HydrophobicContact CD1-CD1 4.01Å; I271-L449 HydrophobicContact CG2-CD1 4.37Å; L274-L449 HydrophobicContact CD2-CD1 4.27Å; F293-L449 HydrophobicContact CE1-CD2 3.79Å; F293-L449 HydrophobicContact CZ-CD2 3.59Å; I326-L449 HydrophobicContact CD1-CD1 3.86Å; I326-L449 HydrophobicContact CD1-CD2 4.32Å; I326-L449 HydrophobicContact CG2-CD2 4.41Å; H330-L449 PolarHBondContact NE2-O 3.39Å; F445-L449 HydrophobicContact CD1-CD1 3.95Å; F445-L449 HydrophobicContact CE1-CD1 3.54Å; F445-L449 HydrophobicContact CE1-CG 4.28Å; F445-L449 HydrophobicContact CE2-CD1 4.43Å; F445-L449 HydrophobicContact CE2-CD2 4.37Å; F445-L449 HydrophobicContact CE2-CG 4.33Å; F445-L449 HydrophobicContact CZ-CD1 3.81Å; F445-L449 HydrophobicContact CZ-CD2 4.24Å; F445-L449 HydrophobicContact CZ-CG 4.17Å; F445-L449 VanDerWaalsContact O-CG 3.31Å; F445-L449 WeakPolarHBondContact O-CG 3.33Å; F445-L449 PolarHBondContact O-N 3.27Å; Y446-L449 PolarHBondContact O-N 3.34Å; Y446-L449 VanDerWaalsContact O-N 3.17Å; R447-L449 PolarHBondContact O-N 2.69Å; L449-Y454 HydrophobicContact CD2-CD1 4.27Å; L449-Y454 HydrophobicContact CD2-CD2 4.04Å; L449-Y454 HydrophobicContact CD2-CE1 4.07Å; L449-Y454 HydrophobicContact CD2-CE2 3.83Å; L449-Y454 HydrophobicContact CD2-CG 4.25Å
450	L	87.1	Confident	82	Confident	9 Å²	9	23.5 Å²	23.5	5%	0.047	13%	0.127	C	C	.	.	H	α-helix	trans	-84.5	-12.2	176.4	-65.2	175.7	0	0	0	113.4	P165 L166 L169 F259 Y446 R447 L448	P165-L450 HydrophobicContact CB-CB 4.1Å; P165-L450 HydrophobicContact CB-CD2 3.65Å; P165-L450 HydrophobicContact CB-CG 4.42Å; P165-L450 WeakPolarHBondContact CD-O 3.47Å; P165-L450 HydrophobicContact CG-CD2 4.28Å; L166-L450 HydrophobicContact CB-CB 3.95Å; L166-L450 WeakPolarHBondContact CB-O 3.43Å; L166-L450 PolarHBondContact N-O 2.97Å; L169-L450 HydrophobicContact CD1-CD1 4.28Å; F259-L450 HydrophobicContact CE2-CD1 3.86Å; F259-L450 HydrophobicContact CZ-CD1 3.99Å; Y446-L450 HydrophobicContact CD1-CD1 4.33Å; Y446-L450 HydrophobicContact CD2-CD1 4.11Å; Y446-L450 HydrophobicContact CD2-CD2 4.49Å; Y446-L450 HydrophobicContact CD2-CG 4.04Å; Y446-L450 HydrophobicContact CE1-CD1 4.03Å; Y446-L450 HydrophobicContact CE2-CD1 3.78Å; Y446-L450 HydrophobicContact CE2-CD2 3.8Å; Y446-L450 HydrophobicContact CE2-CG 3.77Å; Y446-L450 HydrophobicContact CG-CD1 4.37Å; Y446-L450 WeakPolarHBondContact O-CG 3.14Å; Y446-L450 PolarHBondContact O-N 3.04Å; R447-L450 PolarHBondContact O-N 2.72Å; L448-L450 PolarHBondContact O-N 3.48Å
451	S	86.7	Confident	79.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-83.1	159.7	-173.3	73.5	0	0	0	0	115.1	Y428 R447 L448 T453 Y454	Y428-S451 WeakPolarHBondContact OH-CB 3.27Å; Y428-S451 PolarHBondContact OH-OG 3.06Å; R447-S451 PolarHBondContact O-N 2.84Å; L448-S451 WeakPolarHBondContact O-CB 3.24Å; L448-S451 PolarHBondContact O-N 3.4Å; L448-S451 PolarHBondContact O-OG 3.45Å; S451-T453 VanDerWaalsContact C-N 3.34Å; S451-T453 PolarHBondContact OG-N 3.16Å; S451-Y454 PolarHBondContact OG-N 3.43Å
452	S	81.8	Confident	77.1	Confident	16 Å²	16	30.9 Å²	30.9	11%	0.112	16%	0.158	C	C	.	.	H	α-helix	trans	-53.9	-42.7	160.8	45.6	0	0	0	0	113.3	E167 Y454 R455 E456	E167-S452 WeakPolarHBondContact OE1-CB 3.16Å; E167-S452 PolarHBondContact OE1-N 3.16Å; E167-S452 PolarHBondContact OE1-OG 3.01Å; S452-Y454 VanDerWaalsContact C-N 3.32Å; S452-Y454 PolarHBondContact O-N 3.36Å; S452-R455 CarbonylContact O-C 3.46Å; S452-R455 WeakPolarHBondContact O-CA 3.49Å; S452-R455 VanDerWaalsContact O-CB 3.3Å; S452-R455 WeakPolarHBondContact O-CB 3.15Å; S452-R455 PolarHBondContact O-N 3.17Å; S452-E456 PolarHBondContact O-N 3.07Å
453	T	84.7	Confident	74.1	Confident	18 Å²	18	31.2 Å²	31.2	11%	0.11	16%	0.164	C	C	.	.	H	α-helix	trans	-60.4	-35	-178.7	-63.4	0	0	0	0	113.5	Y428 S451 E456 L457	Y428-T453 WeakPolarHBondContact OH-CB 3.41Å; Y428-T453 PolarHBondContact OH-OG1 3.02Å; S451-T453 VanDerWaalsContact C-N 3.34Å; S451-T453 PolarHBondContact OG-N 3.16Å; T453-E456 PolarHBondContact O-N 3.16Å; T453-L457 HydrophobicContact CG2-CD1 4.15Å; T453-L457 HydrophobicContact CG2-CG 4.42Å; T453-L457 WeakPolarHBondContact O-CB 3.49Å; T453-L457 VanDerWaalsContact O-CG 3.25Å; T453-L457 WeakPolarHBondContact O-CG 3.18Å; T453-L457 PolarHBondContact O-N 3.29Å
454	Y	84.1	Confident	71.4	Confident	3 Å²	3	35 Å²	35	1%	0.012	19%	0.19	C	C	.	.	H	α-helix	trans	-67.4	-37	172.5	173.6	-104.6	0	0	0	112.6	F293 L294 I326 H330 L448 L449 S451 S452 C458	F293-Y454 HydrophobicContact CE1-CD2 4.42Å; F293-Y454 AromaticContact CE1-CE2 3.63Å; F293-Y454 HydrophobicContact CE1-CE2 3.63Å; F293-Y454 HydrophobicContact CZ-CE2 4.05Å; L294-Y454 HydrophobicContact CD2-CD2 4.19Å; L294-Y454 HydrophobicContact CD2-CE2 4.08Å; I326-Y454 HydrophobicContact CG2-CE1 3.57Å; H330-Y454 AromaticContact NE2-CD1 3.71Å; L448-Y454 WeakPolarHBondContact O-CB 3.41Å; L449-Y454 HydrophobicContact CD2-CD1 4.27Å; L449-Y454 HydrophobicContact CD2-CD2 4.04Å; L449-Y454 HydrophobicContact CD2-CE1 4.07Å; L449-Y454 HydrophobicContact CD2-CE2 3.83Å; L449-Y454 HydrophobicContact CD2-CG 4.25Å; S451-Y454 PolarHBondContact OG-N 3.43Å; S452-Y454 VanDerWaalsContact C-N 3.32Å; S452-Y454 PolarHBondContact O-N 3.36Å; Y454-C458 WeakPolarHBondContact CE2-SG 3.41Å; Y454-C458 VanDerWaalsContact CZ-SG 3.55Å; Y454-C458 WeakPolarHBondContact O-CB 3.42Å; Y454-C458 PolarHBondContact O-N 2.73Å; Y454-C458 VanDerWaalsContact O-N 3.12Å; Y454-C458 PolarHBondContact O-SG 3.4Å
455	R	74.5	Confident	68.4	Low	62 Å²	62	41.5 Å²	41.5	23%	0.234	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-43.6	172.8	169.2	178.6	169.5	156.5	-1.8	110.9	D162 S452 C458 V459	D162-R455 PolarHBondContact O-NH1 3.26Å; D162-R455 IonicContact OD1-CZ 3.51Å; D162-R455 IonicContact OD1-NH1 2.93Å; D162-R455 PolarHBondContact OD1-NH1 3.4Å; D162-R455 IonicContact OD1-NH2 3.94Å; D162-R455 IonicContact OD2-CZ 3.68Å; D162-R455 IonicContact OD2-NH1 3.95Å; D162-R455 PolarHBondContact OD2-NH1 2.94Å; D162-R455 VanDerWaalsContact OD2-NH1 3.12Å; D162-R455 IonicContact OD2-NH2 3.86Å; D162-R455 PolarHBondContact OD2-NH2 2.92Å; S452-R455 CarbonylContact O-C 3.46Å; S452-R455 WeakPolarHBondContact O-CA 3.49Å; S452-R455 VanDerWaalsContact O-CB 3.3Å; S452-R455 WeakPolarHBondContact O-CB 3.15Å; S452-R455 PolarHBondContact O-N 3.17Å; R455-C458 PolarHBondContact O-N 2.72Å; R455-V459 HydrophobicContact CG-CG2 4.43Å; R455-V459 WeakPolarHBondContact O-CB 3.21Å; R455-V459 VanDerWaalsContact O-CG2 3.24Å; R455-V459 WeakPolarHBondContact O-CG2 3.19Å; R455-V459 PolarHBondContact O-N 3.07Å
456	E	73.8	Confident	65.4	Low	64 Å²	64	47.5 Å²	47.5	30%	0.299	25%	0.25	S	S	.	.	H	α-helix	trans	-59.7	-53.6	174.9	-68.2	173.4	154	0	0	111.3	S452 T453 C458 V459 S460	S452-E456 PolarHBondContact O-N 3.07Å; T453-E456 PolarHBondContact O-N 3.16Å; E456-C458 PolarHBondContact O-N 2.92Å; E456-V459 PolarHBondContact O-N 3.19Å; E456-S460 WeakPolarHBondContact O-CB 3.36Å; E456-S460 PolarHBondContact O-N 3.35Å; E456-S460 PolarHBondContact O-OG 3.43Å
457	L	75.3	Confident	62.4	Low	17 Å²	17	52.4 Å²	52.4	9%	0.089	28%	0.282	C	S	.	.	H	α-helix	trans	-54.1	-30.7	177.5	-73	169	0	0	0	113	L294 I298 T416 I424 T453	L294-L457 HydrophobicContact CD1-CD1 4.37Å; L294-L457 HydrophobicContact CD2-CB 4.36Å; L294-L457 HydrophobicContact CD2-CD1 4.46Å; I298-L457 WeakPolarHBondContact CD1-O 3.24Å; T416-L457 HydrophobicContact CG2-CD1 4.41Å; T416-L457 HydrophobicContact CG2-CD2 3.9Å; I424-L457 HydrophobicContact CD1-CD1 4.01Å; T453-L457 HydrophobicContact CG2-CD1 4.15Å; T453-L457 HydrophobicContact CG2-CG 4.42Å; T453-L457 WeakPolarHBondContact O-CB 3.49Å; T453-L457 VanDerWaalsContact O-CG 3.25Å; T453-L457 WeakPolarHBondContact O-CG 3.18Å; T453-L457 PolarHBondContact O-N 3.29Å
458	C	68	Low	59.5	Low	15 Å²	15	61.4 Å²	61.4	10%	0.101	32%	0.317	C	S	.	.	H	α-helix	trans	-89.6	-16	179.8	-67.2	0	0	0	0	115.1	F301 Y454 R455 E456	F301-C458 HydrophobicContact CD2-CB 4.01Å; F301-C458 HydrophobicContact CE2-CB 3.84Å; Y454-C458 WeakPolarHBondContact CE2-SG 3.41Å; Y454-C458 VanDerWaalsContact CZ-SG 3.55Å; Y454-C458 WeakPolarHBondContact O-CB 3.42Å; Y454-C458 PolarHBondContact O-N 2.73Å; Y454-C458 VanDerWaalsContact O-N 3.12Å; Y454-C458 PolarHBondContact O-SG 3.4Å; R455-C458 PolarHBondContact O-N 2.72Å; E456-C458 PolarHBondContact O-N 2.92Å
459	V	60.2	Low	56.5	Low	84 Å²	84	69 Å²	69	51%	0.509	36%	0.358	S	S	.	.	H	α-helix	trans	-113.4	-44.2	-173.6	174.1	0	0	0	0	112.6	R455 E456 N462	R455-V459 HydrophobicContact CG-CG2 4.43Å; R455-V459 WeakPolarHBondContact O-CB 3.21Å; R455-V459 VanDerWaalsContact O-CG2 3.24Å; R455-V459 WeakPolarHBondContact O-CG2 3.19Å; R455-V459 PolarHBondContact O-N 3.07Å; E456-V459 PolarHBondContact O-N 3.19Å; V459-N462 PolarHBondContact O-ND2 3.46Å
460	S	49.4	Very low	53.6	Low	64 Å²	64	75.8 Å²	75.8	45%	0.448	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-43	-166.6	67.3	0	0	0	0	113.9	E456 N462	E456-S460 WeakPolarHBondContact O-CB 3.36Å; E456-S460 PolarHBondContact O-N 3.35Å; E456-S460 PolarHBondContact O-OG 3.43Å; S460-N462 PolarHBondContact O-N 2.77Å
461	R	45.2	Very low	50.8	Low	102 Å²	102	81.4 Å²	81.4	39%	0.385	42%	0.424	S	S	.	.			trans	-80.4	45.3	-176.9	-69.1	-175.1	167.6	162.5	6.4	113.5	V414 S415 E420	V414-R461 HydrophobicContact CB-CB 4.32Å; V414-R461 HydrophobicContact CG1-CB 3.76Å; V414-R461 HydrophobicContact CG1-CG 4.37Å; V414-R461 HydrophobicContact CG2-CB 3.67Å; V414-R461 WeakPolarHBondContact CG2-O 3.49Å; S415-R461 PolarHBondContact O-NH1 3.37Å; S415-R461 VanDerWaalsContact O-NH1 3.09Å; E420-R461 IonicContact OE1-CZ 2.79Å; E420-R461 IonicContact OE1-NH1 3.8Å; E420-R461 PolarHBondContact OE1-NH1 2.82Å; E420-R461 IonicContact OE1-NH2 2.66Å; E420-R461 PolarHBondContact OE1-NH2 3.47Å; E420-R461 IonicContact OE2-CZ 3.7Å; E420-R461 IonicContact OE2-NH1 2.85Å; E420-R461 PolarHBondContact OE2-NH1 3.32Å; E420-R461 IonicContact OE2-NH2 2.82Å
462	N	30.7	Very low	48	Very low	70 Å²	70	87.3 Å²	87.3	37%	0.374	46%	0.461	S	S	.	.			trans	-83.8	146.7	166.5	-83.9	-77.1	0	0	0	110.8	V459 S460 T464	V459-N462 PolarHBondContact O-ND2 3.46Å; S460-N462 PolarHBondContact O-N 2.77Å; N462-T464 VanDerWaalsContact C-N 3.29Å; N462-T464 PolarHBondContact O-N 2.82Å
463	P	26.5	Very low	45.3	Very low	63 Å²	63	95.1 Å²	95.1	41%	0.409	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	48.9	-157	-19.2	36.7	0	0	0	117.1	S412	S412-P463 WeakPolarHBondContact OG-CB 3.36Å; S412-P463 WeakPolarHBondContact OG-CG 3.35Å
464	T	31.6	Very low	42.6	Very low	119 Å²	119	99.6 Å²	99.6	73%	0.73	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.2	-6.8	-180	50.9	0	0	0	0	115.7	N462	N462-T464 VanDerWaalsContact C-N 3.29Å; N462-T464 PolarHBondContact O-N 2.82Å
465	F	27.1	Very low	40.1	Very low	136 Å²	136	104 Å²	104	60%	0.596	55%	0.549	S	S	*	.			trans	-133.6	84.5	175.6	-78.2	-86.6	0	0	0	111.5
466	D	27.3	Very low	38.1	Very low	126 Å²	126	104.1 Å²	104.1	67%	0.674	56%	0.559	S	S	*	*			trans	-117.2	85.1	170.7	-85.5	-45.4	0	0	0	109.5
467	T	28.9	Very low	36.1	Very low	118 Å²	118	104.7 Å²	104.7	72%	0.724	57%	0.567	S	S	*	*			trans	169.7	101.3	144.8	26	0	0	0	0	112.2
468	Y	28.6	Very low	34.3	Very low	197 Å²	197	107.9 Å²	107.9	77%	0.773	59%	0.587	S	S	*	*				173.2	141.5	112.7	-108.1	-87.3	0	0	0	110	Q470 C484	Y468-Q470 PolarHBondContact O-N 2.72Å; Y468-C484 WeakPolarHBondContact CD2-SG 3.36Å
469	D	27.1	Very low	32.4	Very low	161 Å²	161	111.2 Å²	111.2	86%	0.861	62%	0.616	S	S	*	*			trans	-75.2	111.6	173.4	-68.8	-74.3	0	0	0	110.8
470	Q	27.8	Very low	30.8	Very low	147 Å²	147	115.2 Å²	115.2	69%	0.687	63%	0.629	S	S	*	*			trans	-148.1	159.7	158.9	-122.1	156.4	53.3	0	0	110.9	Y468	Y468-Q470 PolarHBondContact O-N 2.72Å
471	T	27.6	Very low	29.6	Very low	128 Å²	128	117.7 Å²	117.7	79%	0.785	64%	0.644	S	S	*	*			trans	-62.8	150.9	-159.4	34.6	0	0	0	0	115.4	E473	T471-E473 PolarHBondContact O-N 2.77Å
472	T	27.7	Very low	28.7	Very low	124 Å²	124	116.3 Å²	116.3	76%	0.761	65%	0.65	S	S	*	*	S	Bend	trans	-59.5	91.4	-178.1	43	0	0	0	0	113.9
473	E	26.3	Very low	28.6	Very low	180 Å²	180	122.4 Å²	122.4	84%	0.841	67%	0.673	S	S	*	*			trans	-154.2	25.2	175.4	-140.4	163.2	-133.3	0	0	116.1	T471	T471-E473 PolarHBondContact O-N 2.77Å
474	S	28.1	Very low	28.5	Very low	112 Å²	112	123.1 Å²	123.1	78%	0.783	68%	0.679	S	S	*	*			trans	-144.2	98.7	179.6	58.8	0	0	0	0	117.1
475	M	30	Very low	28.4	Very low	96 Å²	96	121.4 Å²	121.4	47%	0.473	67%	0.671	S	S	.	*	S	Bend	trans	-142.9	125	155.9	-103.5	-76	166.6	0	0	109.1
476	S	32.9	Very low	28.6	Very low	63 Å²	63	121.4 Å²	121.4	44%	0.441	68%	0.677	S	S	.	*	S	Bend	trans	66.2	44.7	176	-167.1	0	0	0	0	117.9	T159	T159-S476 PolarHBondContact OG1-O 3.16Å; T159-S476 PolarHBondContact OG1-OG 3.3Å
477	T	31.7	Very low	29.3	Very low	76 Å²	76	120.4 Å²	120.4	47%	0.466	67%	0.671	S	S	.	*	S	Bend	trans	-145.8	176.9	150.8	2.3	0	0	0	0	110.3	T155 A479	T155-T477 HydrophobicContact CG2-CG2 4.09Å; T155-T477 WeakPolarHBondContact O-CG2 3.33Å; T477-A479 PolarHBondContact O-N 2.8Å
478	V	37.5	Very low	30.2	Very low	85 Å²	85	121.3 Å²	121.3	52%	0.515	67%	0.668	S	S	.	*	P	Polyproline II helix	trans	-52.6	126.6	178.7	178.9	0	0	0	0	109.7	E480	V478-E480 PolarHBondContact O-N 2.68Å
479	A	27.8	Very low	31.2	Very low	85 Å²	85	115.4 Å²	115.4	70%	0.702	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-64.9	116.6	178.1	0	0	0	0	0	110	T477	T477-A479 PolarHBondContact O-N 2.8Å
480	E	27	Very low	32.9	Very low	167 Å²	167	113.5 Å²	113.5	78%	0.78	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-64	140.2	171.7	-66.6	-138.2	135.4	0	0	109.9	V478 S482	V478-E480 PolarHBondContact O-N 2.68Å; E480-S482 PolarHBondContact O-N 3.1Å
481	P	25.2	Very low	35.3	Very low	116 Å²	116	110.5 Å²	110.5	75%	0.753	63%	0.627	S	S	*	*			trans	-78.3	46.5	-173.1	32	-36.2	0	0	0	113.4	K483	P481-K483 PolarHBondContact O-N 3.23Å; P481-K483 VanDerWaalsContact O-N 3.17Å
482	S	26.3	Very low	37.9	Very low	74 Å²	74	105.3 Å²	105.3	52%	0.517	60%	0.595	S	S	.	*			trans	-86.9	77.7	-179.4	59	0	0	0	0	112.6	E480 C484	E480-S482 PolarHBondContact O-N 3.1Å; S482-C484 PolarHBondContact O-N 3.49Å; S482-C484 VanDerWaalsContact O-N 3.12Å
483	K	28.1	Very low	40.6	Very low	198 Å²	198	100.2 Å²	100.2	86%	0.861	56%	0.563	S	S	*	*	S	Bend	trans	61.9	19.4	152.5	-63	-177.5	178	175.3	0	119.9	P481	P481-K483 PolarHBondContact O-N 3.23Å; P481-K483 VanDerWaalsContact O-N 3.17Å
484	C	24.6	Very low	43.3	Very low	78 Å²	78	95.5 Å²	95.5	53%	0.527	56%	0.555	S	S	.	*			trans	-164.7	132	156.9	-117.6	0	0	0	0	110.6	Y468 S482	Y468-C484 WeakPolarHBondContact CD2-SG 3.36Å; S482-C484 PolarHBondContact O-N 3.49Å; S482-C484 VanDerWaalsContact O-N 3.12Å
485	S	29.6	Very low	46	Very low	82 Å²	82	94.8 Å²	94.8	57%	0.573	54%	0.539	S	S	*	.			cis	-131.1	160.7	-2.2	57.7	0	0	0	0	110.5	D487	S485-D487 PolarHBondContact O-N 2.69Å
486	L	29.7	Very low	48.6	Very low	136 Å²	136	94.2 Å²	94.2	71%	0.712	53%	0.532	S	S	*	.			trans	-75.8	121.6	175.9	-72.5	82.5	0	0	0	110.8
487	D	43.6	Very low	51.1	Low	105 Å²	105	102.4 Å²	102.4	56%	0.561	56%	0.555	S	S	*	*	S	Bend		174.1	-34.9	125.3	-94	-7.4	0	0	0	113.3	S485 S489 Q490	S485-D487 PolarHBondContact O-N 2.69Å; D487-S489 PolarHBondContact O-N 3.28Å; D487-Q490 PolarHBondContact O-N 3.49Å; D487-Q490 VanDerWaalsContact O-N 3.13Å
488	E	46.4	Very low	53.7	Low	138 Å²	138	101.6 Å²	101.6	65%	0.645	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-66.5	-29.7	-167.1	-64.7	-162.8	153.1	0	0	115	Y496	E488-Y496 PolarHBondContact O-OH 3.44Å
489	S	51.3	Low	56	Low	73 Å²	73	103.5 Å²	103.5	51%	0.51	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-83.3	-8.1	177.6	59.6	0	0	0	0	114.2	D487 S706	D487-S489 PolarHBondContact O-N 3.28Å; S489-S706 WeakPolarHBondContact O-CB 3.43Å; S489-S706 PolarHBondContact O-OG 2.89Å
490	Q	62.2	Low	58.8	Low	121 Å²	121	102.1 Å²	102.1	57%	0.565	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-94.2	0.1	-179.6	-59.8	-164.4	13.4	0	0	113.4	D487	D487-Q490 PolarHBondContact O-N 3.49Å; D487-Q490 VanDerWaalsContact O-N 3.13Å
491	H	77.4	Confident	61.4	Low	83 Å²	83	94.9 Å²	94.9	38%	0.384	50%	0.503	S	S	.	.	S	Bend	trans	-65.8	151.1	177.3	-69.6	-8.8	0	0	0	112.3	H495 Y496 S706	H491-H495 HydrophobicContact CB-CB 4.18Å; H491-H495 AromaticContact CG-ND1 3.91Å; H491-Y496 HydrophobicContact CB-CE2 4.02Å; H491-Y496 WeakPolarHBondContact O-CE2 3.42Å; H491-S706 WeakPolarHBondContact O-CA 3.32Å; H491-S706 WeakPolarHBondContact O-CB 3.43Å
492	P	83.2	Confident	64	Low	19 Å²	19	93 Å²	93	12%	0.123	48%	0.481	C	S	.	.			trans	-58.9	147	174.5	-26.5	36.3	0	0	0	112.9	A494 H495 Y496 H703 L704	P492-A494 PolarHBondContact O-N 3.27Å; P492-H495 WeakPolarHBondContact O-CB 3.28Å; P492-H495 PolarHBondContact O-N 3.33Å; P492-Y496 WeakPolarHBondContact O-CD2 3.43Å; P492-Y496 WeakPolarHBondContact O-CE2 3.34Å; P492-H703 HydrophobicContact CB-CB 4.05Å; P492-H703 HydrophobicContact CG-CB 3.53Å; P492-L704 WeakPolarHBondContact CA-O 3.23Å; P492-L704 HydrophobicContact CB-CB 4.39Å; P492-L704 WeakPolarHBondContact CB-O 3.37Å
493	L	84.5	Confident	66.1	Low	18 Å²	18	90.4 Å²	90.4	9%	0.094	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-48.9	-32.6	179.1	-175.8	63	0	0	0	114.1	H495 Y496 I498 P639 L704 P705 P707 L710 L715	L493-H495 PolarHBondContact O-N 3.18Å; L493-Y496 PolarHBondContact O-N 3.4Å; L493-I498 HydrophobicContact CD1-CD1 3.85Å; L493-I498 HydrophobicContact CG-CD1 4.15Å; L493-P639 HydrophobicContact CD1-CG 4.23Å; L493-L704 HydrophobicContact CB-CB 4.31Å; L493-L704 HydrophobicContact CB-CD1 4.34Å; L493-P705 WeakPolarHBondContact CB-O 3.31Å; L493-P705 PolarHBondContact N-O 3.19Å; L493-P707 HydrophobicContact CD1-CG 4.03Å; L493-L710 HydrophobicContact CD2-CD1 4.07Å; L493-L715 HydrophobicContact CD2-CD1 3.57Å
494	A	82.7	Confident	67.4	Low	81 Å²	81	85 Å²	85	67%	0.669	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-67.1	-8.3	177.1	0	0	0	0	0	115.4	P492 L704	P492-A494 PolarHBondContact O-N 3.27Å; A494-L704 HydrophobicContact CB-CD1 4.18Å
495	H	83.9	Confident	68.5	Low	96 Å²	96	83.5 Å²	83.5	44%	0.444	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-88.8	-9.7	176.4	-67.9	-171.2	0	0	0	113.1	H491 P492 L493	H491-H495 HydrophobicContact CB-CB 4.18Å; H491-H495 AromaticContact CG-ND1 3.91Å; P492-H495 WeakPolarHBondContact O-CB 3.28Å; P492-H495 PolarHBondContact O-N 3.33Å; L493-H495 PolarHBondContact O-N 3.18Å
496	Y	85.5	Confident	69	Low	85 Å²	85	84.6 Å²	84.6	33%	0.333	43%	0.425	S	S	.	.	S	Bend	trans	-102.1	145	-174.3	-59.2	-95.3	0	0	0	112.5	E488 H491 P492 L493 I498 P707	E488-Y496 PolarHBondContact O-OH 3.44Å; H491-Y496 HydrophobicContact CB-CE2 4.02Å; H491-Y496 WeakPolarHBondContact O-CE2 3.42Å; P492-Y496 WeakPolarHBondContact O-CD2 3.43Å; P492-Y496 WeakPolarHBondContact O-CE2 3.34Å; L493-Y496 PolarHBondContact O-N 3.4Å; Y496-I498 PolarHBondContact O-N 3.36Å; Y496-P707 HydrophobicContact CD1-CG 4.32Å; Y496-P707 HydrophobicContact CD2-CG 3.58Å; Y496-P707 HydrophobicContact CE1-CG 4.2Å; Y496-P707 HydrophobicContact CE2-CG 3.42Å; Y496-P707 VanDerWaalsContact CE2-CG 3.42Å; Y496-P707 HydrophobicContact CG-CG 4.04Å
497	Y	85.3	Confident	69	Low	235 Å²	235	81.6 Å²	81.6	92%	0.922	41%	0.412	S	S	*	.			trans	-81.8	102.9	168.1	-71.4	-69.6	0	0	0	110.1
498	I	86	Confident	68.4	Low	58 Å²	58	83.2 Å²	83.2	30%	0.297	41%	0.411	S	S	.	.			trans	-82.7	131.9	179.2	-53.3	-179.4	0	0	0	109.6	L493 Y496 S500 R559 A560 I641	L493-I498 HydrophobicContact CD1-CD1 3.85Å; L493-I498 HydrophobicContact CG-CD1 4.15Å; Y496-I498 PolarHBondContact O-N 3.36Å; I498-S500 PolarHBondContact O-OG 2.88Å; I498-R559 HydrophobicContact CG2-CB 3.87Å; I498-A560 HydrophobicContact CG2-CB 4.17Å; I498-I641 HydrophobicContact CD1-CD1 3.62Å
499	K	86	Confident	67.5	Low	125 Å²	125	78.4 Å²	78.4	54%	0.543	39%	0.393	S	S	.	.			trans	-71.9	122.7	170.8	-77.5	176.4	165.4	-175	0	109.5	F556 G557 I558 R559 A560	K499-F556 PolarHBondContact NZ-O 3.34Å; K499-G557 WeakPolarHBondContact CD-O 3.28Å; K499-I558 HydrophobicContact CB-CG1 4.42Å; K499-R559 PolarHBondContact O-N 2.78Å; K499-A560 PolarHBondContact O-N 3.12Å
500	S	86	Confident	66.5	Low	56 Å²	56	80.6 Å²	80.6	39%	0.392	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	146	-174	-46.6	0	0	0	0	112.9	I498 A560 T1578	I498-S500 PolarHBondContact O-OG 2.88Å; S500-A560 CarbonylContact C-O 3.56Å; S500-A560 VanDerWaalsContact CA-O 3.29Å; S500-A560 WeakPolarHBondContact CA-O 3.35Å; S500-T1578 WeakPolarHBondContact O-CG2 3.42Å
501	A	82.5	Confident	65	Low	15 Å²	15	79.1 Å²	79.1	12%	0.124	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	161.2	175.2	0	0	0	0	0	113.7	I558 A560 L561 I562	A501-I558 HydrophobicContact CB-CD1 3.8Å; A501-I558 HydrophobicContact CB-CG2 4.05Å; A501-A560 PolarHBondContact N-O 3.36Å; A501-L561 HydrophobicContact CB-CD1 4.43Å; A501-I562 PolarHBondContact O-N 3.1Å
502	Y	80	Confident	62.8	Low	77 Å²	77	77.7 Å²	77.7	30%	0.302	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	133.3	179.8	175.2	-133.2	0	0	0	108.8	T504 I562 D564 T587	Y502-T504 HydrophobicContact CD1-CG2 3.58Å; Y502-T504 HydrophobicContact CE1-CG2 3.6Å; Y502-T504 HydrophobicContact CG-CG2 4.43Å; Y502-T504 PolarHBondContact O-N 2.82Å; Y502-I562 HydrophobicContact CD2-CB 3.69Å; Y502-I562 HydrophobicContact CD2-CG2 3.51Å; Y502-I562 HydrophobicContact CE2-CG2 3.87Å; Y502-I562 HydrophobicContact CG-CB 4.33Å; Y502-I562 HydrophobicContact CG-CG2 4.42Å; Y502-D564 VanDerWaalsContact CE2-OD2 3.26Å; Y502-D564 WeakPolarHBondContact CE2-OD2 3.4Å; Y502-D564 VanDerWaalsContact CZ-OD2 3.3Å; Y502-D564 PolarHBondContact OH-OD2 2.86Å; Y502-T587 PolarHBondContact OH-OG1 3.29Å
503	L	70.3	Confident	60.6	Low	20 Å²	20	81.2 Å²	81.2	11%	0.105	40%	0.403	C	S	.	.			trans	-81.6	113.3	-175.8	-62.1	176.1	0	0	0	110.8	T549 I550 L563 I584 P586	L503-T549 HydrophobicContact CD2-CG2 4.4Å; L503-I550 HydrophobicContact CD1-CD1 3.79Å; L503-I550 HydrophobicContact CD1-CG1 3.93Å; L503-I550 HydrophobicContact CD2-CG1 3.95Å; L503-L563 HydrophobicContact CD1-CD2 3.48Å; L503-L563 VanDerWaalsContact CD1-CD2 3.48Å; L503-L563 HydrophobicContact CG-CD2 4.26Å; L503-I584 HydrophobicContact CD1-CG2 4.27Å; L503-P586 HydrophobicContact CB-CB 4.3Å
504	T	54.4	Low	58.1	Low	85 Å²	85	88 Å²	88	52%	0.521	44%	0.435	S	S	.	.	B	Isolated β-bridge	trans	-126.5	138	177.5	51.9	0	0	0	0	110.6	Y502 T587	Y502-T504 HydrophobicContact CD1-CG2 3.58Å; Y502-T504 HydrophobicContact CE1-CG2 3.6Å; Y502-T504 HydrophobicContact CG-CG2 4.43Å; Y502-T504 PolarHBondContact O-N 2.82Å; T504-T587 CarbonylContact C-O 3.52Å; T504-T587 WeakPolarHBondContact CA-O 3.49Å; T504-T587 WeakPolarHBondContact CB-O 3.45Å
505	H	47.4	Very low	55.6	Low	46 Å²	46	90.4 Å²	90.4	21%	0.213	44%	0.436	C	S	.	.			trans	-92.3	116.4	-177.7	-165.8	-119.9	0	0	0	111.9	T507 P586 T587 P617	H505-T507 PolarHBondContact O-N 2.76Å; H505-P586 HydrophobicContact CB-CB 4.01Å; H505-P586 HydrophobicContact CB-CG 3.99Å; H505-P586 VanDerWaalsContact CB-O 3.23Å; H505-P586 WeakPolarHBondContact CB-O 3.18Å; H505-T587 PolarHBondContact N-O 3.29Å; H505-P617 WeakPolarHBondContact NE2-CG 3.37Å
506	K	40.1	Very low	53.1	Low	104 Å²	104	89.1 Å²	89.1	45%	0.452	44%	0.435	S	S	.	.			trans	-76.1	104.7	155.8	-73	-179	178.9	176.3	0	107.9	Y508	K506-Y508 PolarHBondContact O-N 2.83Å; K506-Y508 VanDerWaalsContact O-N 3.08Å
507	T	30.5	Very low	50.4	Low	73 Å²	73	90.3 Å²	90.3	45%	0.448	45%	0.451	S	S	.	.			trans	-60.6	110.5	166.1	47.7	0	0	0	0	109.3	H505	H505-T507 PolarHBondContact O-N 2.76Å
508	Y	30.2	Very low	47.5	Very low	139 Å²	139	87.6 Å²	87.6	55%	0.545	45%	0.447	S	S	.	.			trans	-56.3	147	153.2	-69.4	-102.8	0	0	0	108	K506	K506-Y508 PolarHBondContact O-N 2.83Å; K506-Y508 VanDerWaalsContact O-N 3.08Å
509	S	28.3	Very low	44.7	Very low	38 Å²	38	90.2 Å²	90.2	27%	0.266	47%	0.469	S	S	.	.			trans	-73.7	156.7	170.2	57.6	0	0	0	0	110.1	D511 N1570	S509-D511 WeakPolarHBondContact CB-OD2 3.18Å; S509-D511 PolarHBondContact O-N 3.28Å; S509-D511 PolarHBondContact OG-OD2 3.29Å; S509-N1570 PolarHBondContact OG-ND2 3.07Å
510	E	30.5	Very low	41.8	Very low	118 Å²	118	90.7 Å²	90.7	55%	0.551	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.8	-176.5	-70.2	159.2	129.3	0	0	111.9	D512 I513 N615	E510-D512 VanDerWaalsContact C-N 3.28Å; E510-D512 PolarHBondContact O-N 2.96Å; E510-I513 WeakPolarHBondContact O-CB 3.31Å; E510-I513 PolarHBondContact O-N 2.86Å; E510-N615 PolarHBondContact OE1-ND2 3.28Å
511	D	29.9	Very low	38.9	Very low	91 Å²	91	97.2 Å²	97.2	49%	0.487	50%	0.502	S	S	.	.	H	α-helix	trans	-58.8	-31.9	176.4	-23.5	-62.5	0	0	0	114	S509 I513 N515	S509-D511 WeakPolarHBondContact CB-OD2 3.18Å; S509-D511 PolarHBondContact O-N 3.28Å; S509-D511 PolarHBondContact OG-OD2 3.29Å; D511-I513 PolarHBondContact O-N 3.18Å; D511-N515 PolarHBondContact O-ND2 3.38Å; D511-N515 VanDerWaalsContact O-ND2 3.1Å
512	D	31.9	Very low	36.2	Very low	53 Å²	53	102 Å²	102	28%	0.283	53%	0.529	S	S	.	.	H	α-helix	trans	-75	-5.6	175.9	-84.5	-5.9	0	0	0	111.8	E510 T516	E510-D512 VanDerWaalsContact C-N 3.28Å; E510-D512 PolarHBondContact O-N 2.96Å; D512-T516 PolarHBondContact O-OG1 3.27Å
513	I	37.1	Very low	33.6	Very low	92 Å²	92	103.8 Å²	103.8	47%	0.472	55%	0.552	S	S	.	*	H	α-helix	trans	-98.5	-40.7	178.7	-59.7	179.1	0	0	0	111.5	E510 D511 N515 T516	E510-I513 WeakPolarHBondContact O-CB 3.31Å; E510-I513 PolarHBondContact O-N 2.86Å; D511-I513 PolarHBondContact O-N 3.18Å; I513-N515 PolarHBondContact O-N 3.21Å; I513-N515 VanDerWaalsContact O-N 3.14Å; I513-T516 PolarHBondContact O-N 3.04Å
514	E	30.6	Very low	31.6	Very low	162 Å²	162	111.3 Å²	111.3	76%	0.757	59%	0.585	S	S	*	*	H	α-helix	trans	-61.2	-24.5	-179.3	-63.7	-167.7	142.3	0	0	113.1
515	N	32.1	Very low	30.2	Very low	130 Å²	130	111.2 Å²	111.2	70%	0.695	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-4.3	-176.5	-68.3	-77.3	0	0	0	115.1	D511 I513	D511-N515 PolarHBondContact O-ND2 3.38Å; D511-N515 VanDerWaalsContact O-ND2 3.1Å; I513-N515 PolarHBondContact O-N 3.21Å; I513-N515 VanDerWaalsContact O-N 3.14Å
516	T	30.2	Very low	29.3	Very low	69 Å²	69	116.7 Å²	116.7	42%	0.423	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-122.5	-2.3	-174.4	-32.5	0	0	0	0	114.4	D512 I513	D512-T516 PolarHBondContact O-OG1 3.27Å; I513-T516 PolarHBondContact O-N 3.04Å
517	V	29.1	Very low	28.8	Very low	110 Å²	110	118.1 Å²	118.1	67%	0.667	64%	0.641	S	S	*	*			trans	-135	70.3	164.7	-170.1	0	0	0	0	110.2	C519	V517-C519 HydrophobicContact CG1-CB 3.79Å; V517-C519 PolarHBondContact O-N 3.47Å
518	Q	25.1	Very low	28.7	Very low	179 Å²	179	123.8 Å²	123.8	84%	0.836	66%	0.659	S	S	*	*			trans	-75.5	57.9	160.7	-164.3	174.3	64.8	0	0	109.8	N520	Q518-N520 PolarHBondContact O-N 3.03Å
519	C	26.4	Very low	28.6	Very low	112 Å²	112	124.7 Å²	124.7	76%	0.757	67%	0.672	S	S	*	*			trans	-67.5	126.4	166.8	-169.6	0	0	0	0	107.6	V517	V517-C519 HydrophobicContact CG1-CB 3.79Å; V517-C519 PolarHBondContact O-N 3.47Å
520	N	24.3	Very low	28.4	Very low	135 Å²	135	128.2 Å²	128.2	72%	0.722	69%	0.694	S	S	*	*			trans	-53.3	139.8	-158.9	-69.6	-52	0	0	0	114.5	Q518 V522	Q518-N520 PolarHBondContact O-N 3.03Å; N520-V522 PolarHBondContact O-N 2.97Å; N520-V522 VanDerWaalsContact O-N 3.11Å
521	Q	26.6	Very low	28.3	Very low	194 Å²	194	131.2 Å²	131.2	91%	0.907	71%	0.705	S	S	*	*			trans	-19.3	102.8	162.4	-63	169.3	-14.8	0	0	114.8
522	V	26.3	Very low	28.1	Very low	116 Å²	116	134.6 Å²	134.6	70%	0.703	72%	0.718	S	S	*	*			trans	-119.8	88.6	158.6	-174.4	0	0	0	0	108.1	N520 F524	N520-V522 PolarHBondContact O-N 2.97Å; N520-V522 VanDerWaalsContact O-N 3.11Å; V522-F524 HydrophobicContact CG1-CD2 3.65Å; V522-F524 HydrophobicContact CG1-CE2 3.63Å; V522-F524 PolarHBondContact O-N 2.97Å
523	S	24	Very low	28	Very low	113 Å²	113	138 Å²	138	79%	0.79	74%	0.743	S	S	*	*			trans	-78.2	105.7	177.4	54.8	0	0	0	0	110.8
524	F	28.3	Very low	27.4	Very low	179 Å²	179	139 Å²	139	79%	0.785	76%	0.757	S	S	*	*			trans	-114.8	98.9	163.4	-83.4	-70.1	0	0	0	110.4	V522	V522-F524 HydrophobicContact CG1-CD2 3.65Å; V522-F524 HydrophobicContact CG1-CE2 3.63Å; V522-F524 PolarHBondContact O-N 2.97Å
525	A	26.4	Very low	27.4	Very low	82 Å²	82	135.2 Å²	135.2	68%	0.678	75%	0.748	S	S	*	*			trans	-85.2	143.6	158.6	0	0	0	0	0	109.2
526	D	27.3	Very low	27.4	Very low	161 Å²	161	134.3 Å²	134.3	86%	0.861	75%	0.747	S	S	*	*	S	Bend	trans	41.4	82.5	162.8	-58.6	-32.8	0	0	0	118
527	T	29.4	Very low	27.5	Very low	134 Å²	134	137 Å²	137	82%	0.822	76%	0.758	S	S	*	*			trans	-153	154.3	150.3	-6.1	0	0	0	0	111.6
528	K	28.4	Very low	27.5	Very low	193 Å²	193	133.9 Å²	133.9	84%	0.839	75%	0.748	S	S	*	*			trans	-88	126.7	-171.3	-61.4	176.7	179.7	179.3	0	112.4
529	I	28.5	Very low	27.8	Very low	158 Å²	158	129.6 Å²	129.6	81%	0.81	72%	0.724	S	S	*	*			trans	69.2	127	149.1	-65.2	172.3	0	0	0	114.5
530	P	24.5	Very low	28.3	Very low	112 Å²	112	125.2 Å²	125.2	73%	0.727	70%	0.699	S	S	*	*				-139.8	175.8	68.1	38.3	-19.7	0	0	0	117.8	E532	P530-E532 PolarHBondContact O-N 3.07Å
531	K	27.2	Very low	29.2	Very low	181 Å²	181	124.1 Å²	124.1	79%	0.787	69%	0.692	S	S	*	*			trans	-79.8	91.3	177.1	-67.2	-176.5	175.1	-172.7	0	110.9	E575	K531-E575 IonicContact NZ-OE2 3.24Å; K531-E575 PolarHBondContact NZ-OE2 2.88Å
532	E	27.5	Very low	30.3	Very low	161 Å²	161	119 Å²	119	75%	0.752	67%	0.666	S	S	*	*			trans	-129.2	145.9	165.4	-72.6	-167.1	144.8	0	0	111.9	P530 C534	P530-E532 PolarHBondContact O-N 3.07Å; E532-C534 PolarHBondContact O-N 2.92Å
533	P	27.9	Very low	31.7	Very low	126 Å²	126	115.1 Å²	115.1	82%	0.818	64%	0.644	S	S	*	*			trans	-81.5	102.8	-175.8	31.7	-33.6	0	0	0	112	S535	P533-S535 PolarHBondContact O-N 3.34Å; P533-S535 VanDerWaalsContact O-N 3.08Å
534	C	26.4	Very low	33.7	Very low	111 Å²	111	111.6 Å²	111.6	75%	0.75	62%	0.617	S	S	*	*			trans	-58.4	112.8	179.5	-65.1	0	0	0	0	113.6	E532	E532-C534 PolarHBondContact O-N 2.92Å
535	S	29.9	Very low	35.5	Very low	84 Å²	84	108.9 Å²	108.9	59%	0.587	60%	0.604	S	S	*	*			trans	50.9	90.9	158.1	54.5	0	0	0	0	118.4	P533 I537	P533-S535 PolarHBondContact O-N 3.34Å; P533-S535 VanDerWaalsContact O-N 3.08Å; S535-I537 PolarHBondContact O-N 3.38Å
536	V	31.7	Very low	37.7	Very low	110 Å²	110	105.6 Å²	105.6	67%	0.667	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.9	-39.3	170.6	178.3	0	0	0	0	113.3	G538 Y539	V536-G538 PolarHBondContact O-N 3.32Å; V536-G538 VanDerWaalsContact O-N 3.07Å; V536-Y539 PolarHBondContact O-N 3.38Å
537	I	31.5	Very low	40.2	Very low	126 Å²	126	99.1 Å²	99.1	65%	0.646	54%	0.541	S	S	*	.	H	α-helix	trans	-52.5	-36	-171.4	-54.6	171.7	0	0	0	113.2	S535 Y539	S535-I537 PolarHBondContact O-N 3.38Å; I537-Y539 VanDerWaalsContact C-N 3.3Å; I537-Y539 PolarHBondContact O-N 3.47Å
538	G	29.4	Very low	42.3	Very low	44 Å²	44	94.4 Å²	94.4	45%	0.454	51%	0.508	S	S	.	.	H	α-helix	trans	-69.1	-24.6	-179.1	0	0	0	0	0	114.5	V536	V536-G538 PolarHBondContact O-N 3.32Å; V536-G538 VanDerWaalsContact O-N 3.07Å
539	Y	31.4	Very low	44.6	Very low	89 Å²	89	87.4 Å²	87.4	35%	0.349	48%	0.481	S	S	.	.	H	α-helix	trans	-85.3	-37.5	-175.4	-67.2	-89.4	0	0	0	112.3	V536 I537 I541 K542 S543 Y613	V536-Y539 PolarHBondContact O-N 3.38Å; I537-Y539 VanDerWaalsContact C-N 3.3Å; I537-Y539 PolarHBondContact O-N 3.47Å; Y539-I541 VanDerWaalsContact C-N 3.27Å; Y539-I541 PolarHBondContact O-N 3.21Å; Y539-K542 PolarHBondContact O-N 2.7Å; Y539-S543 PolarHBondContact O-N 3.42Å; Y539-S543 PolarHBondContact O-OG 3.23Å; Y539-Y613 HydrophobicContact CE1-CD1 4.07Å; Y539-Y613 WeakPolarHBondContact CE1-O 3.47Å; Y539-Y613 PolarHBondContact OH-O 2.99Å
540	G	37	Very low	47.2	Very low	21 Å²	21	79.9 Å²	79.9	22%	0.216	44%	0.443	C	S	.	.	H	α-helix	trans	-60.4	-30.2	-179.8	0	0	0	0	0	114.4	S543 N544	G540-S543 PolarHBondContact O-OG 3.48Å; G540-N544 VanDerWaalsContact O-CB 3.31Å; G540-N544 WeakPolarHBondContact O-CB 3.4Å; G540-N544 PolarHBondContact O-N 3.19Å; G540-N544 PolarHBondContact O-ND2 3.18Å
541	I	43.8	Very low	50.1	Low	112 Å²	112	74.8 Å²	74.8	57%	0.574	41%	0.409	S	S	*	.	H	α-helix	trans	-75	-35.9	-179.2	-58	175	0	0	0	111.9	Y539	Y539-I541 VanDerWaalsContact C-N 3.27Å; Y539-I541 PolarHBondContact O-N 3.21Å
542	K	50	Low	52.5	Low	87 Å²	87	67.7 Å²	67.7	38%	0.378	38%	0.378	S	S	.	.	H	α-helix	trans	-78.9	-42.1	-178.2	-74.1	-177.3	-178.3	175.2	0	112	Y539 K545 K614 P617	Y539-K542 PolarHBondContact O-N 2.7Å; K542-K545 PolarHBondContact O-N 3.28Å; K542-K614 PolarHBondContact NZ-O 2.87Å; K542-P617 HydrophobicContact CB-CB 4.18Å
543	S	55.9	Low	55.1	Low	34 Å²	34	60.8 Å²	60.8	24%	0.238	35%	0.349	C	S	.	.	H	α-helix	trans	-64.7	-44.5	179.9	57.6	0	0	0	0	112.2	Y539 G540 K545 I546 L547 V619	Y539-S543 PolarHBondContact O-N 3.42Å; Y539-S543 PolarHBondContact O-OG 3.23Å; G540-S543 PolarHBondContact O-OG 3.48Å; S543-K545 PolarHBondContact O-N 2.81Å; S543-K545 VanDerWaalsContact O-N 3.13Å; S543-I546 PolarHBondContact O-N 3.02Å; S543-L547 PolarHBondContact O-N 3.26Å; S543-V619 WeakPolarHBondContact O-CG2 3.18Å
544	N	65	Low	57.9	Low	39 Å²	39	55 Å²	55	21%	0.209	31%	0.312	C	S	.	.	H	α-helix	trans	-56	-30.6	179	-95.4	-47.1	0	0	0	114.2	G540 I546 L547 R548	G540-N544 VanDerWaalsContact O-CB 3.31Å; G540-N544 WeakPolarHBondContact O-CB 3.4Å; G540-N544 PolarHBondContact O-N 3.19Å; G540-N544 PolarHBondContact O-ND2 3.18Å; N544-I546 VanDerWaalsContact C-N 3.31Å; N544-I546 PolarHBondContact O-N 3.4Å; N544-L547 PolarHBondContact O-N 2.85Å; N544-R548 WeakPolarHBondContact O-CG 3.34Å; N544-R548 PolarHBondContact O-N 2.92Å
545	K	67.2	Low	60.5	Low	121 Å²	121	50 Å²	50	53%	0.526	28%	0.277	S	S	.	.	H	α-helix	trans	-64.2	-34.6	176.1	-68.5	-177.8	-179.5	-177.5	0	112.6	K542 S543 T549	K542-K545 PolarHBondContact O-N 3.28Å; S543-K545 PolarHBondContact O-N 2.81Å; S543-K545 VanDerWaalsContact O-N 3.13Å; K545-T549 WeakPolarHBondContact O-CB 3.41Å; K545-T549 PolarHBondContact O-N 3.09Å; K545-T549 PolarHBondContact O-OG1 3.43Å
546	I	72.4	Confident	62.8	Low	14 Å²	14	49.5 Å²	49.5	7%	0.072	26%	0.264	C	S	.	.	H	α-helix	trans	-71.5	-43.1	177.4	-63.4	168.6	0	0	0	110	S543 N544 T549 I550 P586 P617 V619	S543-I546 PolarHBondContact O-N 3.02Å; N544-I546 VanDerWaalsContact C-N 3.31Å; N544-I546 PolarHBondContact O-N 3.4Å; I546-T549 WeakPolarHBondContact O-CB 3.49Å; I546-T549 PolarHBondContact O-N 3.12Å; I546-I550 HydrophobicContact CG2-CD1 4.21Å; I546-I550 WeakPolarHBondContact O-CG1 3.32Å; I546-I550 PolarHBondContact O-N 3.44Å; I546-I550 VanDerWaalsContact O-N 3.08Å; I546-P586 HydrophobicContact CD1-CG 3.83Å; I546-P586 HydrophobicContact CG1-CG 4.43Å; I546-P617 HydrophobicContact CD1-CB 4.16Å; I546-V619 HydrophobicContact CB-CB 4.47Å; I546-V619 HydrophobicContact CB-CG2 3.81Å; I546-V619 HydrophobicContact CD1-CG2 4.17Å; I546-V619 HydrophobicContact CG2-CB 4.25Å; I546-V619 HydrophobicContact CG2-CG2 4.1Å
547	L	79.1	Confident	65.2	Low	25 Å²	25	45 Å²	45	13%	0.131	24%	0.24	C	C	.	.	H	α-helix	trans	-60.4	-47.2	176.9	-66	176.5	0	0	0	111.7	S543 N544 T549 I550 R551 V619 V624 V627	S543-L547 PolarHBondContact O-N 3.26Å; N544-L547 PolarHBondContact O-N 2.85Å; L547-T549 PolarHBondContact O-N 3.43Å; L547-I550 PolarHBondContact O-N 3.05Å; L547-I550 VanDerWaalsContact O-N 3.16Å; L547-R551 PolarHBondContact O-N 3.01Å; L547-V619 HydrophobicContact CD2-CG1 3.71Å; L547-V619 HydrophobicContact CD2-CG2 4.4Å; L547-V619 HydrophobicContact CG-CG1 4.3Å; L547-V619 HydrophobicContact CG-CG2 4.12Å; L547-V624 HydrophobicContact CD2-CG2 3.86Å; L547-V627 HydrophobicContact CB-CG2 4.34Å; L547-V627 HydrophobicContact CD2-CG2 4.1Å
548	R	74.2	Confident	67.9	Low	35 Å²	35	40.2 Å²	40.2	13%	0.132	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-39.6	174	-67.5	177.4	-155.1	149.6	13.5	112.5	R100 N544 I550 R551 Q552	R100-R548 VanDerWaalsContact CZ-NH2 3.31Å; R100-R548 VanDerWaalsContact NH2-NH2 3.18Å; N544-R548 WeakPolarHBondContact O-CG 3.34Å; N544-R548 PolarHBondContact O-N 2.92Å; R548-I550 VanDerWaalsContact C-N 3.27Å; R548-I550 PolarHBondContact O-N 2.92Å; R548-R551 WeakPolarHBondContact O-CB 3.44Å; R548-R551 PolarHBondContact O-N 3.47Å; R548-R551 VanDerWaalsContact O-N 3.16Å; R548-Q552 WeakPolarHBondContact O-CB 3.44Å; R548-Q552 VanDerWaalsContact O-CG 3.28Å; R548-Q552 WeakPolarHBondContact O-CG 3.33Å; R548-Q552 PolarHBondContact O-N 3.21Å
549	T	76.6	Confident	70.8	Confident	46 Å²	46	39 Å²	39	28%	0.282	20%	0.197	S	C	.	.	H	α-helix	trans	-59.4	-37.9	175.1	-56.3	0	0	0	0	111.9	L503 K545 I546 L547 A553	L503-T549 HydrophobicContact CD2-CG2 4.4Å; K545-T549 WeakPolarHBondContact O-CB 3.41Å; K545-T549 PolarHBondContact O-N 3.09Å; K545-T549 PolarHBondContact O-OG1 3.43Å; I546-T549 WeakPolarHBondContact O-CB 3.49Å; I546-T549 PolarHBondContact O-N 3.12Å; L547-T549 PolarHBondContact O-N 3.43Å; T549-A553 WeakPolarHBondContact O-CB 3.32Å; T549-A553 PolarHBondContact O-N 2.82Å; T549-A553 VanDerWaalsContact O-N 3.08Å
550	I	83.3	Confident	73.6	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-71.2	-42.6	175.7	-64	164.9	0	0	0	110.7	L503 I546 L547 R548 A553 L554 L561 V624 V627 L628	L503-I550 HydrophobicContact CD1-CD1 3.79Å; L503-I550 HydrophobicContact CD1-CG1 3.93Å; L503-I550 HydrophobicContact CD2-CG1 3.95Å; I546-I550 HydrophobicContact CG2-CD1 4.21Å; I546-I550 WeakPolarHBondContact O-CG1 3.32Å; I546-I550 PolarHBondContact O-N 3.44Å; I546-I550 VanDerWaalsContact O-N 3.08Å; L547-I550 PolarHBondContact O-N 3.05Å; L547-I550 VanDerWaalsContact O-N 3.16Å; R548-I550 VanDerWaalsContact C-N 3.27Å; R548-I550 PolarHBondContact O-N 2.92Å; I550-A553 WeakPolarHBondContact O-CB 3.44Å; I550-A553 PolarHBondContact O-N 3.27Å; I550-L554 WeakPolarHBondContact O-CG 3.45Å; I550-L554 PolarHBondContact O-N 3.08Å; I550-L554 VanDerWaalsContact O-N 3.14Å; I550-L561 HydrophobicContact CG2-CD2 4.02Å; I550-V624 HydrophobicContact CD1-CB 4.4Å; I550-V624 HydrophobicContact CD1-CG1 3.86Å; I550-V624 HydrophobicContact CD1-CG2 3.67Å; I550-V627 HydrophobicContact CG2-CG1 4.24Å; I550-L628 HydrophobicContact CG2-CD2 4.1Å
551	R	83.9	Confident	76.1	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.015	17%	0.173	C	C	.	.	H	α-helix	trans	-57.8	-55.3	175.9	-173.5	174.5	174.3	89.1	29.5	111.2	D80 I81 E82 L547 R548 A553 L554 L555 V627 N631	D80-R551 VanDerWaalsContact OD1-CD 3.3Å; D80-R551 WeakPolarHBondContact OD1-CD 3.24Å; D80-R551 IonicContact OD1-CZ 2.69Å; D80-R551 IonicContact OD1-NE 2.78Å; D80-R551 PolarHBondContact OD1-NE 3.37Å; D80-R551 WeakPolarHBondContact OD2-CD 3.2Å; D80-R551 WeakPolarHBondContact OD2-CG 3.42Å; D80-R551 IonicContact OD2-NE 3.86Å; I81-R551 PolarHBondContact O-NH2 3.27Å; E82-R551 IonicContact OE1-NE 3.91Å; E82-R551 IonicContact OE1-NH1 3.39Å; L547-R551 PolarHBondContact O-N 3.01Å; R548-R551 WeakPolarHBondContact O-CB 3.44Å; R548-R551 PolarHBondContact O-N 3.47Å; R548-R551 VanDerWaalsContact O-N 3.16Å; R551-A553 VanDerWaalsContact C-N 3.31Å; R551-A553 PolarHBondContact O-N 2.98Å; R551-L554 WeakPolarHBondContact O-CB 3.39Å; R551-L554 PolarHBondContact O-N 2.89Å; R551-L554 VanDerWaalsContact O-N 3.1Å; R551-L555 HydrophobicContact CG-CD1 4.49Å; R551-L555 WeakPolarHBondContact O-CG 3.38Å; R551-L555 PolarHBondContact O-N 2.95Å; R551-V627 HydrophobicContact CB-CG1 4.03Å; R551-N631 PolarHBondContact NH1-ND2 2.94Å; R551-N631 PolarHBondContact NH1-OD1 3.45Å; R551-N631 PolarHBondContact NH2-OD1 3.08Å; R551-N631 VanDerWaalsContact NH2-OD1 3.1Å
552	Q	79.2	Confident	78.1	Confident	32 Å²	32	30.9 Å²	30.9	15%	0.15	16%	0.156	C	C	.	.	H	α-helix	trans	-54.2	-42.3	173.7	-70	-177.7	-21.9	0	0	112.8	E79 D80 R548 L554 L555 F556	E79-Q552 VanDerWaalsContact CB-NE2 3.28Å; E79-Q552 PolarHBondContact OE2-NE2 3.09Å; D80-Q552 HydrophobicContact CB-CG 4.11Å; R548-Q552 WeakPolarHBondContact O-CB 3.44Å; R548-Q552 VanDerWaalsContact O-CG 3.28Å; R548-Q552 WeakPolarHBondContact O-CG 3.33Å; R548-Q552 PolarHBondContact O-N 3.21Å; Q552-L554 VanDerWaalsContact C-N 3.32Å; Q552-L554 PolarHBondContact O-N 3.16Å; Q552-L555 PolarHBondContact O-N 3.32Å; Q552-L555 VanDerWaalsContact O-N 3.1Å; Q552-F556 HydrophobicContact CB-CE2 4.3Å; Q552-F556 WeakPolarHBondContact O-CD2 3.5Å; Q552-F556 PolarHBondContact O-N 3.18Å
553	A	81.9	Confident	79.7	Confident	17 Å²	17	26.8 Å²	26.8	14%	0.14	14%	0.138	C	C	.	.	H	α-helix	trans	-59.5	-41.6	177.5	0	0	0	0	0	112.3	T549 I550 R551 F556 I558	T549-A553 WeakPolarHBondContact O-CB 3.32Å; T549-A553 PolarHBondContact O-N 2.82Å; T549-A553 VanDerWaalsContact O-N 3.08Å; I550-A553 WeakPolarHBondContact O-CB 3.44Å; I550-A553 PolarHBondContact O-N 3.27Å; R551-A553 VanDerWaalsContact C-N 3.31Å; R551-A553 PolarHBondContact O-N 2.98Å; A553-F556 PolarHBondContact O-N 2.87Å; A553-I558 HydrophobicContact CB-CD1 3.72Å; A553-I558 VanDerWaalsContact O-CB 3.28Å; A553-I558 WeakPolarHBondContact O-CB 3.29Å; A553-I558 WeakPolarHBondContact O-CD1 3.27Å; A553-I558 PolarHBondContact O-N 2.86Å
554	L	85.4	Confident	80.8	Confident	5 Å²	5	25.4 Å²	25.4	3%	0.026	13%	0.128	C	C	.	.	H	α-helix	trans	-65.3	-40.7	173.2	-63.5	174.6	0	0	0	111.7	I550 R551 Q552 F556 G557 L628 N631 I632 F640	I550-L554 WeakPolarHBondContact O-CG 3.45Å; I550-L554 PolarHBondContact O-N 3.08Å; I550-L554 VanDerWaalsContact O-N 3.14Å; R551-L554 WeakPolarHBondContact O-CB 3.39Å; R551-L554 PolarHBondContact O-N 2.89Å; R551-L554 VanDerWaalsContact O-N 3.1Å; Q552-L554 VanDerWaalsContact C-N 3.32Å; Q552-L554 PolarHBondContact O-N 3.16Å; L554-F556 VanDerWaalsContact C-N 3.32Å; L554-F556 PolarHBondContact O-N 3.04Å; L554-G557 WeakPolarHBondContact O-CA 3.47Å; L554-G557 PolarHBondContact O-N 3.11Å; L554-L628 HydrophobicContact CD1-CD2 4Å; L554-N631 HydrophobicContact CD1-CB 3.78Å; L554-I632 HydrophobicContact CD1-CG1 4.04Å; L554-I632 HydrophobicContact CD2-CG1 4.02Å; L554-F640 HydrophobicContact CD2-CD2 4.18Å; L554-F640 HydrophobicContact CD2-CE2 3.4Å; L554-F640 VanDerWaalsContact CD2-CE2 3.4Å; L554-F640 HydrophobicContact CD2-CZ 3.87Å
555	L	82.4	Confident	81.4	Confident	4 Å²	4	23.6 Å²	23.6	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-62.5	-33.6	178	-63.6	176.2	0	0	0	113.1	D80 L150 F154 R551 Q552 G557 L634 I635	D80-L555 HydrophobicContact CB-CD1 4.44Å; D80-L555 WeakPolarHBondContact OD1-CD1 3.33Å; L150-L555 HydrophobicContact CD2-CD2 4.09Å; F154-L555 HydrophobicContact CD1-CB 3.93Å; F154-L555 HydrophobicContact CD2-CD2 4.28Å; F154-L555 HydrophobicContact CE1-CB 3.88Å; F154-L555 HydrophobicContact CE1-CD1 4.3Å; F154-L555 HydrophobicContact CE2-CD1 4.05Å; F154-L555 HydrophobicContact CE2-CD2 4.41Å; F154-L555 HydrophobicContact CG-CB 4.37Å; F154-L555 HydrophobicContact CZ-CB 4.27Å; F154-L555 HydrophobicContact CZ-CD1 3.85Å; R551-L555 HydrophobicContact CG-CD1 4.49Å; R551-L555 WeakPolarHBondContact O-CG 3.38Å; R551-L555 PolarHBondContact O-N 2.95Å; Q552-L555 PolarHBondContact O-N 3.32Å; Q552-L555 VanDerWaalsContact O-N 3.1Å; L555-G557 PolarHBondContact O-N 2.98Å; L555-L634 HydrophobicContact CD2-CD2 3.75Å; L555-I635 HydrophobicContact CB-CD1 4.22Å; L555-I635 HydrophobicContact CD2-CD1 3.52Å; L555-I635 HydrophobicContact CG-CD1 4.47Å
556	F	76.8	Confident	81.6	Confident	74 Å²	74	18.9 Å²	18.9	33%	0.325	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	9	172.4	-64.2	-60.1	0	0	0	114.6	Y157 K499 Q552 A553 L554	Y157-F556 HydrophobicContact CD1-CD1 4.42Å; Y157-F556 HydrophobicContact CE1-CD1 4.05Å; Y157-F556 AromaticContact CE1-CE1 4Å; Y157-F556 HydrophobicContact CE1-CE1 4Å; Y157-F556 HydrophobicContact CE2-CE1 4.12Å; Y157-F556 AromaticContact CZ-CE1 3.73Å; K499-F556 PolarHBondContact NZ-O 3.34Å; Q552-F556 HydrophobicContact CB-CE2 4.3Å; Q552-F556 WeakPolarHBondContact O-CD2 3.5Å; Q552-F556 PolarHBondContact O-N 3.18Å; A553-F556 PolarHBondContact O-N 2.87Å; L554-F556 VanDerWaalsContact C-N 3.32Å; L554-F556 PolarHBondContact O-N 3.04Å
557	G	83	Confident	81.4	Confident	15 Å²	15	19 Å²	19	16%	0.155	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	34	173.6	0	0	0	0	0	114	K499 L554 L555	K499-G557 WeakPolarHBondContact CD-O 3.28Å; L554-G557 WeakPolarHBondContact O-CA 3.47Å; L554-G557 PolarHBondContact O-N 3.11Å; L555-G557 PolarHBondContact O-N 2.98Å
558	I	87.3	Confident	80.5	Confident	26 Å²	26	18.6 Å²	18.6	13%	0.133	10%	0.096	C	C	.	.			trans	-71	131.6	170	-73.4	158	0	0	0	109.5	K499 A501 A553 A560	K499-I558 HydrophobicContact CB-CG1 4.42Å; A501-I558 HydrophobicContact CB-CD1 3.8Å; A501-I558 HydrophobicContact CB-CG2 4.05Å; A553-I558 HydrophobicContact CB-CD1 3.72Å; A553-I558 VanDerWaalsContact O-CB 3.28Å; A553-I558 WeakPolarHBondContact O-CB 3.29Å; A553-I558 WeakPolarHBondContact O-CD1 3.27Å; A553-I558 PolarHBondContact O-N 2.86Å; I558-A560 WeakPolarHBondContact CG2-O 3.15Å
559	R	90	Very high	79.4	Confident	18 Å²	18	19.1 Å²	19.1	7%	0.068	11%	0.105	C	C	.	.			trans	-113.7	5.4	-175.8	-68.4	-76.5	156.9	-117.7	-12.6	113	I498 K499 I632 S636 H638 F640 I641	I498-R559 HydrophobicContact CG2-CB 3.87Å; K499-R559 PolarHBondContact O-N 2.78Å; R559-I632 PolarHBondContact NH1-O 3.38Å; R559-S636 PolarHBondContact NE-OG 3.45Å; R559-S636 PolarHBondContact NH2-O 3.27Å; R559-H638 WeakPolarHBondContact CD-O 3.44Å; R559-F640 CarbonylContact O-C 3.55Å; R559-F640 WeakPolarHBondContact O-CA 3.17Å; R559-I641 PolarHBondContact O-N 3.42Å
560	A	90.2	Very high	78	Confident	4 Å²	4	23.1 Å²	23.1	3%	0.033	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	136.8	167.4	0	0	0	0	0	112.2	I498 K499 S500 A501 I558 I641	I498-A560 HydrophobicContact CG2-CB 4.17Å; K499-A560 PolarHBondContact O-N 3.12Å; S500-A560 CarbonylContact C-O 3.56Å; S500-A560 VanDerWaalsContact CA-O 3.29Å; S500-A560 WeakPolarHBondContact CA-O 3.35Å; A501-A560 PolarHBondContact N-O 3.36Å; I558-A560 WeakPolarHBondContact CG2-O 3.15Å; A560-I641 CarbonylContact C-O 3.53Å; A560-I641 WeakPolarHBondContact CA-O 3.3Å; A560-I641 HydrophobicContact CB-CB 3.85Å
561	L	89.3	Confident	76.3	Confident	4 Å²	4	23.8 Å²	23.8	2%	0.021	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.4	-179	-177.7	63	0	0	0	110.7	A501 I550 L563 L628 F640 I641 I643	A501-L561 HydrophobicContact CB-CD1 4.43Å; I550-L561 HydrophobicContact CG2-CD2 4.02Å; L561-L563 HydrophobicContact CD1-CD2 4.37Å; L561-L563 HydrophobicContact CD2-CD2 3.9Å; L561-L563 HydrophobicContact CD2-CG 4.33Å; L561-L563 HydrophobicContact CG-CD2 3.89Å; L561-L563 HydrophobicContact CG-CG 4.21Å; L561-L628 HydrophobicContact CD2-CD2 4.12Å; L561-F640 HydrophobicContact CB-CE1 4.36Å; L561-F640 HydrophobicContact CB-CE2 4.47Å; L561-F640 HydrophobicContact CB-CZ 3.66Å; L561-F640 HydrophobicContact CD2-CZ 4.41Å; L561-I641 PolarHBondContact N-O 3.44Å; L561-I643 PolarHBondContact O-N 3.1Å
562	I	85.9	Confident	74.4	Confident	44 Å²	44	24.3 Å²	24.3	23%	0.226	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126	176.4	-57.1	164.6	0	0	0	109.2	A501 Y502 I643	A501-I562 PolarHBondContact O-N 3.1Å; Y502-I562 HydrophobicContact CD2-CB 3.69Å; Y502-I562 HydrophobicContact CD2-CG2 3.51Å; Y502-I562 HydrophobicContact CE2-CG2 3.87Å; Y502-I562 HydrophobicContact CG-CB 4.33Å; Y502-I562 HydrophobicContact CG-CG2 4.42Å; I562-I643 WeakPolarHBondContact CA-O 3.4Å; I562-I643 HydrophobicContact CB-CB 4.45Å; I562-I643 HydrophobicContact CG1-CB 3.97Å; I562-I643 HydrophobicContact CG1-CD1 3.95Å; I562-I643 HydrophobicContact CG1-CG1 4.4Å; I562-I643 HydrophobicContact CG1-CG2 4.31Å; I562-I643 HydrophobicContact CG2-CG2 4.38Å
563	L	84.5	Confident	72.3	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.4	-177.6	-60.3	-179.2	0	0	0	111.3	L503 L561 I584 F621 V624 L642 I643 N645	L503-L563 HydrophobicContact CD1-CD2 3.48Å; L503-L563 VanDerWaalsContact CD1-CD2 3.48Å; L503-L563 HydrophobicContact CG-CD2 4.26Å; L561-L563 HydrophobicContact CD1-CD2 4.37Å; L561-L563 HydrophobicContact CD2-CD2 3.9Å; L561-L563 HydrophobicContact CD2-CG 4.33Å; L561-L563 HydrophobicContact CG-CD2 3.89Å; L561-L563 HydrophobicContact CG-CG 4.21Å; L563-I584 HydrophobicContact CB-CD1 4.23Å; L563-I584 HydrophobicContact CD1-CD1 3.87Å; L563-I584 HydrophobicContact CD2-CD1 3.93Å; L563-I584 HydrophobicContact CG-CD1 4.23Å; L563-F621 HydrophobicContact CD1-CE2 4.21Å; L563-V624 HydrophobicContact CD1-CG1 4.08Å; L563-L642 HydrophobicContact CD1-CD1 3.76Å; L563-L642 HydrophobicContact CG-CD1 4.28Å; L563-I643 PolarHBondContact N-O 3.24Å; L563-N645 PolarHBondContact O-N 3.37Å
564	D	79.7	Confident	69.9	Low	5 Å²	5	30.9 Å²	30.9	3%	0.027	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113.9	173.9	-65.6	-16.9	0	0	0	109.7	Y502 I584 V585 T587 N645 Y647	Y502-D564 VanDerWaalsContact CE2-OD2 3.26Å; Y502-D564 WeakPolarHBondContact CE2-OD2 3.4Å; Y502-D564 VanDerWaalsContact CZ-OD2 3.3Å; Y502-D564 PolarHBondContact OH-OD2 2.86Å; D564-I584 WeakPolarHBondContact O-CG2 3.48Å; D564-V585 PolarHBondContact O-N 2.9Å; D564-T587 HydrophobicContact CB-CG2 4.24Å; D564-T587 WeakPolarHBondContact OD2-CG2 3.26Å; D564-N645 WeakPolarHBondContact OD1-CB 3.41Å; D564-N645 PolarHBondContact OD1-ND2 3.43Å; D564-Y647 HydrophobicContact CB-CE2 4Å
565	C	76.5	Confident	67.3	Low	1 Å²	1	37.7 Å²	37.7	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.5	-170.2	-60.5	0	0	0	0	111.7	I644 N645 L646 Y647	C565-I644 HydrophobicContact CB-CG2 4.31Å; C565-N645 PolarHBondContact N-O 2.94Å; C565-L646 HydrophobicContact CB-CD2 4.1Å; C565-Y647 PolarHBondContact O-N 3.35Å; C565-Y647 VanDerWaalsContact O-N 3.12Å
566	H	71.5	Confident	64.9	Low	22 Å²	22	40.5 Å²	40.5	10%	0.102	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149	-178.2	-59.4	-98.1	0	0	0	110.3	L582 I583 Y647	H566-L582 WeakPolarHBondContact O-CD2 3.38Å; H566-I583 HydrophobicContact CB-CG1 4.19Å; H566-I583 PolarHBondContact N-O 2.99Å; H566-I583 WeakPolarHBondContact O-CG1 3.34Å; H566-I583 PolarHBondContact O-N 2.72Å; H566-Y647 AromaticContact CE1-CD2 3.72Å; H566-Y647 AromaticContact CE1-CG 3.75Å; H566-Y647 AromaticContact ND1-CG 3.99Å; H566-Y647 AromaticContact NE2-CD2 3.9Å
567	Y	67.7	Low	62.7	Low	16 Å²	16	45.6 Å²	45.6	6%	0.063	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.4	-175.9	-167.5	-109	0	0	0	112.4	S569 N580 L582 L649 Q653	Y567-S569 VanDerWaalsContact CE1-OG 3.22Å; Y567-S569 WeakPolarHBondContact CE1-OG 3.42Å; Y567-N580 VanDerWaalsContact OH-CB 3.29Å; Y567-N580 WeakPolarHBondContact OH-CB 3.21Å; Y567-N580 VanDerWaalsContact OH-CG 3.27Å; Y567-N580 PolarHBondContact OH-OD1 2.82Å; Y567-L582 HydrophobicContact CD2-CD2 4.08Å; Y567-L582 HydrophobicContact CD2-CG 4.38Å; Y567-L649 HydrophobicContact CD2-CD2 4.01Å; Y567-Q653 HydrophobicContact CE2-CB 4.33Å; Y567-Q653 HydrophobicContact CE2-CG 3.88Å; Y567-Q653 PolarHBondContact OH-NE2 3.14Å
568	F	61.2	Low	60.4	Low	18 Å²	18	49 Å²	49	8%	0.079	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-70.4	-40.5	-170.4	-168.2	-113.4	0	0	0	113.3	R570 L571 V572 I578 E581 I583 Y618	F568-R570 PolarHBondContact O-N 2.89Å; F568-R570 VanDerWaalsContact O-N 3.09Å; F568-L571 WeakPolarHBondContact O-CB 3.39Å; F568-L571 PolarHBondContact O-N 3.32Å; F568-V572 HydrophobicContact CD1-CG2 4.05Å; F568-V572 HydrophobicContact CE1-CG2 3.66Å; F568-V572 HydrophobicContact CE2-CG2 4.46Å; F568-V572 HydrophobicContact CZ-CG2 3.89Å; F568-I578 HydrophobicContact CE1-CG2 4.08Å; F568-E581 WeakPolarHBondContact CB-O 3.21Å; F568-E581 PolarHBondContact N-O 3.18Å; F568-I583 HydrophobicContact CB-CG2 4.34Å; F568-I583 HydrophobicContact CD2-CD1 4.21Å; F568-I583 HydrophobicContact CD2-CG2 3.89Å; F568-I583 HydrophobicContact CG-CG2 4.43Å; F568-Y618 HydrophobicContact CE2-CE2 4.37Å
569	S	51.2	Low	58.4	Low	46 Å²	46	50.1 Å²	50.1	32%	0.322	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-71.5	-7.2	-172	111.7	0	0	0	0	114.8	Y567 L571	Y567-S569 VanDerWaalsContact CE1-OG 3.22Å; Y567-S569 WeakPolarHBondContact CE1-OG 3.42Å; S569-L571 VanDerWaalsContact C-N 3.29Å
570	R	47.2	Very low	56.6	Low	130 Å²	130	53.6 Å²	53.6	49%	0.491	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-76.4	-17.7	166.7	-89.6	-172.5	171	-157.4	-2	112.4	F568 E598 F605	F568-R570 PolarHBondContact O-N 2.89Å; F568-R570 VanDerWaalsContact O-N 3.09Å; R570-E598 IonicContact CZ-OE1 3.19Å; R570-E598 VanDerWaalsContact CZ-OE1 3.27Å; R570-E598 IonicContact NH1-OE1 2.87Å; R570-E598 PolarHBondContact NH1-OE1 3.46Å; R570-E598 IonicContact NH2-OE1 3.27Å; R570-E598 PolarHBondContact NH2-OE1 3.36Å; R570-F605 WeakPolarHBondContact O-CE1 3.44Å
571	L	46.8	Very low	55.4	Low	14 Å²	14	56.1 Å²	56.1	7%	0.073	30%	0.301	C	S	.	.	S	Bend	trans	-104.1	2.6	-172.3	-58.5	161.2	0	0	0	112.6	F568 S569 I583 F596 L612	F568-L571 WeakPolarHBondContact O-CB 3.39Å; F568-L571 PolarHBondContact O-N 3.32Å; S569-L571 VanDerWaalsContact C-N 3.29Å; L571-I583 HydrophobicContact CD1-CD1 4.29Å; L571-F596 HydrophobicContact CD1-CE1 4.22Å; L571-F596 HydrophobicContact CD2-CE1 4.05Å; L571-L612 HydrophobicContact CB-CD1 4.12Å; L571-L612 HydrophobicContact CD1-CD1 3.76Å; L571-L612 HydrophobicContact CD2-CD1 3.8Å; L571-L612 HydrophobicContact CG-CD1 4.09Å
572	V	44.2	Very low	54.6	Low	14 Å²	14	56.7 Å²	56.7	9%	0.085	30%	0.304	C	S	.	.	S	Bend	trans	-132.9	108.3	-176.2	-177	0	0	0	0	107.3	F568 T576	F568-V572 HydrophobicContact CD1-CG2 4.05Å; F568-V572 HydrophobicContact CE1-CG2 3.66Å; F568-V572 HydrophobicContact CE2-CG2 4.46Å; F568-V572 HydrophobicContact CZ-CG2 3.89Å; V572-T576 WeakPolarHBondContact CG1-OG1 3.31Å
573	G	34.6	Very low	54	Low	31 Å²	31	54.7 Å²	54.7	32%	0.32	29%	0.294	S	S	.	.			trans	-57.8	153.6	-179.9	0	0	0	0	0	113	E575	G573-E575 PolarHBondContact O-N 3.48Å
574	T	33.2	Very low	53.6	Low	156 Å²	156	54.7 Å²	54.7	96%	0.957	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	6.9	-160.2	47.5	0	0	0	0	118.2
575	E	30.6	Very low	52.9	Low	149 Å²	149	55.1 Å²	55.1	70%	0.696	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-5	-176.5	-66.6	-164.8	174.1	0	0	115.3	K531 G573	K531-E575 IonicContact NZ-OE2 3.24Å; K531-E575 PolarHBondContact NZ-OE2 2.88Å; G573-E575 PolarHBondContact O-N 3.48Å
576	T	30.6	Very low	52.3	Low	62 Å²	62	55.6 Å²	55.6	38%	0.38	30%	0.3	S	S	.	.			trans	-123.8	128.6	-175.3	55.7	0	0	0	0	112.5	V572 I578	V572-T576 WeakPolarHBondContact CG1-OG1 3.31Å; T576-I578 PolarHBondContact O-N 2.94Å
577	I	32	Very low	51.6	Low	182 Å²	182	55.7 Å²	55.7	93%	0.933	30%	0.302	S	S	*	.			trans	-73.3	25.1	-173.3	-55.1	159.6	0	0	0	112.2	S579	I577-S579 PolarHBondContact O-N 3.05Å
578	I	34.7	Very low	50.7	Low	86 Å²	86	56.7 Å²	56.7	44%	0.441	31%	0.308	S	S	.	.			trans	-86.6	107.4	-170.1	-58.5	172.3	0	0	0	109.8	F568 T576	F568-I578 HydrophobicContact CE1-CG2 4.08Å; T576-I578 PolarHBondContact O-N 2.94Å
579	S	44.6	Very low	49.7	Very low	50 Å²	50	60.6 Å²	60.6	35%	0.35	34%	0.338	S	S	.	.			trans	11.1	125.7	166.5	61.9	0	0	0	0	119.5	I577 E581	I577-S579 PolarHBondContact O-N 3.05Å; S579-E581 VanDerWaalsContact CB-OE2 3.29Å; S579-E581 WeakPolarHBondContact CB-OE2 3.16Å; S579-E581 PolarHBondContact O-N 3.37Å; S579-E581 PolarHBondContact OG-OE2 2.99Å
580	N	52.5	Low	49	Very low	90 Å²	90	65.1 Å²	65.1	48%	0.481	36%	0.359	S	S	.	.			trans	-71.8	57.8	172.3	-84.2	-59.1	0	0	0	112.6	Y567 R656	Y567-N580 VanDerWaalsContact OH-CB 3.29Å; Y567-N580 WeakPolarHBondContact OH-CB 3.21Å; Y567-N580 VanDerWaalsContact OH-CG 3.27Å; Y567-N580 PolarHBondContact OH-OD1 2.82Å; N580-R656 VanDerWaalsContact CB-NH1 3.33Å; N580-R656 PolarHBondContact ND2-NH1 3.09Å
581	E	65.3	Low	48.8	Very low	57 Å²	57	65.8 Å²	65.8	27%	0.266	37%	0.365	S	S	.	.			trans	-101.4	160.5	-169.6	-78.4	177.4	139.3	0	0	114.6	F568 S579 L620	F568-E581 WeakPolarHBondContact CB-O 3.21Å; F568-E581 PolarHBondContact N-O 3.18Å; S579-E581 VanDerWaalsContact CB-OE2 3.29Å; S579-E581 WeakPolarHBondContact CB-OE2 3.16Å; S579-E581 PolarHBondContact O-N 3.37Å; S579-E581 PolarHBondContact OG-OE2 2.99Å; E581-L620 HydrophobicContact CB-CD2 4.3Å
582	L	72	Confident	48.4	Very low	16 Å²	16	69.4 Å²	69.4	8%	0.084	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.1	176.1	-83.2	167.2	0	0	0	110.3	H566 Y567 F621 L649 L657	H566-L582 WeakPolarHBondContact O-CD2 3.38Å; Y567-L582 HydrophobicContact CD2-CD2 4.08Å; Y567-L582 HydrophobicContact CD2-CG 4.38Å; L582-F621 HydrophobicContact CB-CB 3.7Å; L582-F621 HydrophobicContact CB-CG 4.31Å; L582-F621 WeakPolarHBondContact O-CB 3.44Å; L582-F621 PolarHBondContact O-N 3.02Å; L582-L649 HydrophobicContact CD2-CD1 3.97Å; L582-L649 HydrophobicContact CD2-CD2 4.11Å; L582-L649 HydrophobicContact CD2-CG 4.37Å; L582-L657 HydrophobicContact CD1-CB 4.22Å; L582-L657 HydrophobicContact CD1-CD1 3.92Å; L582-L657 HydrophobicContact CD1-CD2 4.47Å; L582-L657 HydrophobicContact CD1-CG 4.42Å
583	I	74.3	Confident	48.1	Very low	2 Å²	2	70.5 Å²	70.5	1%	0.01	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	144.3	174.8	56.8	162.8	0	0	0	111.1	H566 F568 L571 V585 Y618 V619 L620	H566-I583 HydrophobicContact CB-CG1 4.19Å; H566-I583 PolarHBondContact N-O 2.99Å; H566-I583 WeakPolarHBondContact O-CG1 3.34Å; H566-I583 PolarHBondContact O-N 2.72Å; F568-I583 HydrophobicContact CB-CG2 4.34Å; F568-I583 HydrophobicContact CD2-CD1 4.21Å; F568-I583 HydrophobicContact CD2-CG2 3.89Å; F568-I583 HydrophobicContact CG-CG2 4.43Å; L571-I583 HydrophobicContact CD1-CD1 4.29Å; I583-V585 HydrophobicContact CD1-CG2 3.76Å; I583-V585 HydrophobicContact CG1-CG2 4.27Å; I583-Y618 HydrophobicContact CB-CD2 4.19Å; I583-Y618 HydrophobicContact CG2-CD2 3.59Å; I583-Y618 HydrophobicContact CG2-CE2 4.11Å; I583-Y618 HydrophobicContact CG2-CG 4.4Å; I583-V619 CarbonylContact C-O 3.56Å; I583-V619 WeakPolarHBondContact CA-O 3.35Å; I583-L620 HydrophobicContact CG2-CD2 4.23Å
584	I	74.4	Confident	48.2	Very low	2 Å²	2	74.9 Å²	74.9	1%	0.01	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126	166.3	-50.3	-163.2	0	0	0	107.9	L503 L563 D564 Y618 V619 F621 V624	L503-I584 HydrophobicContact CD1-CG2 4.27Å; L563-I584 HydrophobicContact CB-CD1 4.23Å; L563-I584 HydrophobicContact CD1-CD1 3.87Å; L563-I584 HydrophobicContact CD2-CD1 3.93Å; L563-I584 HydrophobicContact CG-CD1 4.23Å; D564-I584 WeakPolarHBondContact O-CG2 3.48Å; I584-Y618 WeakPolarHBondContact O-CA 3.5Å; I584-V619 PolarHBondContact N-O 2.79Å; I584-V619 PolarHBondContact O-N 3.33Å; I584-F621 HydrophobicContact CD1-CD2 3.88Å; I584-F621 HydrophobicContact CD1-CE2 4.5Å; I584-F621 HydrophobicContact CG1-CD2 4.08Å; I584-V624 HydrophobicContact CD1-CB 4.13Å; I584-V624 HydrophobicContact CD1-CG1 4.17Å; I584-V624 HydrophobicContact CD1-CG2 3.76Å
585	V	66	Low	48.4	Very low	13 Å²	13	69.4 Å²	69.4	8%	0.079	38%	0.383	C	S	.	.			trans	-114	106.6	175.6	-176.6	0	0	0	0	107.8	D564 I583 T587	D564-V585 PolarHBondContact O-N 2.9Å; I583-V585 HydrophobicContact CD1-CG2 3.76Å; I583-V585 HydrophobicContact CG1-CG2 4.27Å; V585-T587 PolarHBondContact O-N 3.49Å; V585-T587 VanDerWaalsContact O-N 3.12Å
586	P	63.9	Low	48.9	Very low	11 Å²	11	65.8 Å²	65.8	7%	0.071	37%	0.365	C	S	.	.			trans	-65.2	114	178.9	24.7	-31.6	0	0	0	110	L503 H505 I546 P617	L503-P586 HydrophobicContact CB-CB 4.3Å; H505-P586 HydrophobicContact CB-CB 4.01Å; H505-P586 HydrophobicContact CB-CG 3.99Å; H505-P586 VanDerWaalsContact CB-O 3.23Å; H505-P586 WeakPolarHBondContact CB-O 3.18Å; I546-P586 HydrophobicContact CD1-CG 3.83Å; I546-P586 HydrophobicContact CG1-CG 4.43Å; P586-P617 WeakPolarHBondContact CD-O 3.35Å
587	T	56.4	Low	49.3	Very low	25 Å²	25	65.8 Å²	65.8	15%	0.153	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-74.6	154.7	-168.2	65.1	0	0	0	0	112.5	Y502 T504 H505 D564 V585	Y502-T587 PolarHBondContact OH-OG1 3.29Å; T504-T587 CarbonylContact C-O 3.52Å; T504-T587 WeakPolarHBondContact CA-O 3.49Å; T504-T587 WeakPolarHBondContact CB-O 3.45Å; H505-T587 PolarHBondContact N-O 3.29Å; D564-T587 HydrophobicContact CB-CG2 4.24Å; D564-T587 WeakPolarHBondContact OD2-CG2 3.26Å; V585-T587 PolarHBondContact O-N 3.49Å; V585-T587 VanDerWaalsContact O-N 3.12Å
588	N	49.5	Very low	49.6	Very low	36 Å²	36	63.3 Å²	63.3	19%	0.193	35%	0.35	C	S	.	.			trans	-115.6	116.4	170.3	-177.3	-21.5	0	0	0	108.1	N590 K591 V592	N588-N590 PolarHBondContact O-N 2.89Å; N588-N590 PolarHBondContact OD1-N 2.71Å; N588-K591 CarbonylContact O-C 3.58Å; N588-K591 PolarHBondContact O-N 3.12Å; N588-V592 PolarHBondContact O-N 3.1Å
589	S	39.2	Very low	49.7	Very low	100 Å²	100	69.3 Å²	69.3	70%	0.699	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-18.6	-168.2	65.7	0	0	0	0	115
590	N	37.5	Very low	49.5	Very low	142 Å²	142	68.4 Å²	68.4	76%	0.759	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-0.3	-174.8	-57.7	3	0	0	0	113	N588	N588-N590 PolarHBondContact O-N 2.89Å; N588-N590 PolarHBondContact OD1-N 2.71Å
591	K	42.2	Very low	49.3	Very low	144 Å²	144	67 Å²	67	63%	0.626	36%	0.356	S	S	*	.			trans	-145.6	49.2	-178.5	-73.1	-166.5	175.3	-173.6	0	112	N588 P593	N588-K591 CarbonylContact O-C 3.58Å; N588-K591 PolarHBondContact O-N 3.12Å; K591-P593 WeakPolarHBondContact O-CD 3.36Å
592	V	39.6	Very low	48.6	Very low	89 Å²	89	70 Å²	70	54%	0.539	37%	0.371	S	S	.	.			trans	-70.2	124.6	163.1	178.7	0	0	0	0	107.8	N588 T594	N588-V592 PolarHBondContact O-N 3.1Å; V592-T594 PolarHBondContact O-N 3.09Å
593	P	37.5	Very low	47.3	Very low	38 Å²	38	75.3 Å²	75.3	25%	0.247	40%	0.399	C	S	.	.			trans	-63.7	117.5	174.7	-20.4	33	0	0	0	110.3	K591 C595 F596	K591-P593 WeakPolarHBondContact O-CD 3.36Å; P593-C595 WeakPolarHBondContact CB-SG 3.39Å; P593-C595 PolarHBondContact O-N 3.2Å; P593-C595 VanDerWaalsContact O-N 3.13Å; P593-F596 HydrophobicContact CB-CD2 4.19Å; P593-F596 HydrophobicContact CB-CE2 4.36Å; P593-F596 HydrophobicContact CG-CD2 4.37Å; P593-F596 HydrophobicContact CG-CE2 4.13Å; P593-F596 PolarHBondContact O-N 3.32Å
594	T	36.5	Very low	46	Very low	123 Å²	123	76.8 Å²	76.8	76%	0.755	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-65.3	-13.6	179.2	41.3	0	0	0	0	113.2	V592 F596 T597	V592-T594 PolarHBondContact O-N 3.09Å; T594-F596 PolarHBondContact O-N 3.04Å; T594-T597 WeakPolarHBondContact O-CB 3.45Å; T594-T597 WeakPolarHBondContact O-CG2 3.32Å; T594-T597 PolarHBondContact O-N 3.05Å; T594-T597 PolarHBondContact O-OG1 3.25Å
595	C	36.4	Very low	44.8	Very low	41 Å²	41	79.9 Å²	79.9	28%	0.277	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-71.1	-4.7	172.4	48.7	0	0	0	0	115	P593 T597 T600 M608	P593-C595 WeakPolarHBondContact CB-SG 3.39Å; P593-C595 PolarHBondContact O-N 3.2Å; P593-C595 VanDerWaalsContact O-N 3.13Å; C595-T597 PolarHBondContact O-N 3.3Å; C595-T600 HydrophobicContact CB-CG2 3.75Å; C595-T600 WeakPolarHBondContact O-CG2 3.48Å; C595-M608 HydrophobicContact CB-CG 4.19Å; C595-M608 HydrophobicContact CB-SD 3.64Å; C595-M608 VanDerWaalsContact O-SD 3.42Å
596	F	41.8	Very low	44	Very low	73 Å²	73	82.5 Å²	82.5	32%	0.32	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-69.9	2.2	162.1	-78.4	-69	0	0	0	113.6	L571 P593 T594 L612	L571-F596 HydrophobicContact CD1-CE1 4.22Å; L571-F596 HydrophobicContact CD2-CE1 4.05Å; P593-F596 HydrophobicContact CB-CD2 4.19Å; P593-F596 HydrophobicContact CB-CE2 4.36Å; P593-F596 HydrophobicContact CG-CD2 4.37Å; P593-F596 HydrophobicContact CG-CE2 4.13Å; P593-F596 PolarHBondContact O-N 3.32Å; T594-F596 PolarHBondContact O-N 3.04Å; F596-L612 HydrophobicContact CZ-CD2 4.41Å
597	T	38.5	Very low	43.3	Very low	61 Å²	61	86.7 Å²	86.7	37%	0.374	46%	0.458	S	S	.	.	S	Bend	trans	-91.7	149.6	172.9	62.6	0	0	0	0	111.7	T594 C595 R599	T594-T597 WeakPolarHBondContact O-CB 3.45Å; T594-T597 WeakPolarHBondContact O-CG2 3.32Å; T594-T597 PolarHBondContact O-N 3.05Å; T594-T597 PolarHBondContact O-OG1 3.25Å; C595-T597 PolarHBondContact O-N 3.3Å; T597-R599 PolarHBondContact O-N 3.1Å
598	E	39	Very low	43	Very low	130 Å²	130	86 Å²	86	61%	0.607	45%	0.453	S	S	*	.	S	Bend	trans	-75.7	43.8	-166.6	-56.8	179.1	128.7	0	0	114.9	R570	R570-E598 IonicContact CZ-OE1 3.19Å; R570-E598 VanDerWaalsContact CZ-OE1 3.27Å; R570-E598 IonicContact NH1-OE1 2.87Å; R570-E598 PolarHBondContact NH1-OE1 3.46Å; R570-E598 IonicContact NH2-OE1 3.27Å; R570-E598 PolarHBondContact NH2-OE1 3.36Å
599	R	36.8	Very low	43.1	Very low	213 Å²	213	87.4 Å²	87.4	80%	0.804	46%	0.456	S	S	*	.			trans	-144.7	72.3	168.2	-77.3	-167.2	179.8	179.8	-0.8	110.2	T597	T597-R599 PolarHBondContact O-N 3.1Å
600	T	39.6	Very low	43.7	Very low	31 Å²	31	85 Å²	85	19%	0.19	44%	0.438	C	S	.	.			trans	-116.4	130.5	169	45.9	0	0	0	0	109.4	C595 S604 F605 M608	C595-T600 HydrophobicContact CB-CG2 3.75Å; C595-T600 WeakPolarHBondContact O-CG2 3.48Å; T600-S604 WeakPolarHBondContact CA-OG 3.19Å; T600-S604 WeakPolarHBondContact CB-OG 3.4Å; T600-F605 WeakPolarHBondContact OG1-CE2 3.04Å; T600-M608 HydrophobicContact CG2-CE 3.72Å; T600-M608 HydrophobicContact CG2-SD 4.4Å
601	S	48.2	Very low	44.4	Very low	60 Å²	60	81.1 Å²	81.1	42%	0.42	42%	0.417	S	S	.	.			trans	-63.6	166.4	169.1	67.6	0	0	0	0	111.4	D603 S604 F605	S601-D603 VanDerWaalsContact C-N 3.25Å; S601-D603 PolarHBondContact O-N 2.85Å; S601-D603 PolarHBondContact OG-OD2 3.27Å; S601-S604 PolarHBondContact N-OG 2.96Å; S601-S604 CarbonylContact O-C 3.58Å; S601-S604 PolarHBondContact O-N 3.37Å; S601-S604 VanDerWaalsContact O-N 3.15Å; S601-S604 PolarHBondContact O-OG 3.35Å; S601-S604 VanDerWaalsContact O-OG 3.07Å; S601-S604 PolarHBondContact OG-N 2.83Å; S601-S604 PolarHBondContact OG-OG 2.97Å; S601-F605 PolarHBondContact O-N 3.37Å
602	Q	51.1	Low	44.9	Very low	121 Å²	121	75.3 Å²	75.3	57%	0.565	39%	0.393	S	S	*	.	H	α-helix	trans	-56.1	-41.1	173.7	-170.7	61.9	30.5	0	0	111.8	S604 F605 D606	Q602-S604 VanDerWaalsContact C-N 3.34Å; Q602-S604 PolarHBondContact O-N 3.08Å; Q602-F605 WeakPolarHBondContact O-CA 3.37Å; Q602-F605 VanDerWaalsContact O-CB 3.26Å; Q602-F605 WeakPolarHBondContact O-CB 3.16Å; Q602-F605 PolarHBondContact O-N 3.42Å; Q602-D606 PolarHBondContact NE2-OD2 3.48Å; Q602-D606 PolarHBondContact O-N 3.49Å
603	D	44.3	Very low	45.6	Very low	127 Å²	127	74.6 Å²	74.6	68%	0.679	38%	0.381	S	S	*	.	H	α-helix	trans	-64.9	-38.2	178.7	-30.1	-76.6	0	0	0	111.8	S601 F605 L607	S601-D603 VanDerWaalsContact C-N 3.25Å; S601-D603 PolarHBondContact O-N 2.85Å; S601-D603 PolarHBondContact OG-OD2 3.27Å; D603-F605 VanDerWaalsContact C-N 3.29Å; D603-L607 VanDerWaalsContact O-CB 3.22Å; D603-L607 WeakPolarHBondContact O-CB 3.49Å; D603-L607 PolarHBondContact O-N 3.07Å
604	S	47.7	Very low	46.3	Very low	33 Å²	33	79.9 Å²	79.9	23%	0.231	40%	0.4	C	S	.	.	H	α-helix	trans	-75.7	-18.4	174.1	48.3	0	0	0	0	112.8	T600 S601 Q602 M608	T600-S604 WeakPolarHBondContact CA-OG 3.19Å; T600-S604 WeakPolarHBondContact CB-OG 3.4Å; S601-S604 PolarHBondContact N-OG 2.96Å; S601-S604 CarbonylContact O-C 3.58Å; S601-S604 PolarHBondContact O-N 3.37Å; S601-S604 VanDerWaalsContact O-N 3.15Å; S601-S604 PolarHBondContact O-OG 3.35Å; S601-S604 VanDerWaalsContact O-OG 3.07Å; S601-S604 PolarHBondContact OG-N 2.83Å; S601-S604 PolarHBondContact OG-OG 2.97Å; Q602-S604 VanDerWaalsContact C-N 3.34Å; Q602-S604 PolarHBondContact O-N 3.08Å; S604-M608 WeakPolarHBondContact O-CB 3.22Å; S604-M608 VanDerWaalsContact O-CG 3.26Å; S604-M608 WeakPolarHBondContact O-CG 3.29Å; S604-M608 PolarHBondContact O-N 2.92Å
605	F	48.6	Very low	47.1	Very low	66 Å²	66	77.7 Å²	77.7	29%	0.289	38%	0.384	S	S	.	.	H	α-helix	trans	-71.8	-49.7	167	-104.2	-59.6	0	0	0	112.8	R570 T600 S601 Q602 D603 L607 M608 R609	R570-F605 WeakPolarHBondContact O-CE1 3.44Å; T600-F605 WeakPolarHBondContact OG1-CE2 3.04Å; S601-F605 PolarHBondContact O-N 3.37Å; Q602-F605 WeakPolarHBondContact O-CA 3.37Å; Q602-F605 VanDerWaalsContact O-CB 3.26Å; Q602-F605 WeakPolarHBondContact O-CB 3.16Å; Q602-F605 PolarHBondContact O-N 3.42Å; D603-F605 VanDerWaalsContact C-N 3.29Å; F605-L607 VanDerWaalsContact C-N 3.3Å; F605-L607 PolarHBondContact O-N 3.37Å; F605-M608 HydrophobicContact CD1-CE 3.51Å; F605-M608 HydrophobicContact CE1-CE 3.54Å; F605-M608 HydrophobicContact CG-CE 4Å; F605-M608 HydrophobicContact CZ-CE 4.13Å; F605-M608 WeakPolarHBondContact O-CB 3.39Å; F605-M608 PolarHBondContact O-N 3.41Å; F605-M608 VanDerWaalsContact O-N 3.16Å; F605-R609 WeakPolarHBondContact O-CB 3.47Å; F605-R609 PolarHBondContact O-N 2.98Å
606	D	50.8	Low	48.2	Very low	68 Å²	68	78.5 Å²	78.5	36%	0.364	38%	0.381	S	S	.	.	H	α-helix	trans	-71.1	-27.7	176.9	-74.2	-56.5	0	0	0	111.9	Q602 R609 S610	Q602-D606 PolarHBondContact NE2-OD2 3.48Å; Q602-D606 PolarHBondContact O-N 3.49Å; D606-R609 WeakPolarHBondContact O-CB 3.49Å; D606-R609 PolarHBondContact O-N 2.98Å; D606-R609 WeakPolarHBondContact OD1-CD 3.38Å; D606-R609 IonicContact OD1-CZ 2.92Å; D606-R609 IonicContact OD1-NH1 3.92Å; D606-R609 PolarHBondContact OD1-NH1 2.97Å; D606-S610 PolarHBondContact O-N 3.25Å
607	L	48.1	Very low	49.3	Very low	99 Å²	99	75.9 Å²	75.9	52%	0.518	37%	0.372	S	S	.	.	H	α-helix	trans	-62.8	-47.5	164.6	-174.1	66.3	0	0	0	111.6	D603 F605 R609 S610 I611	D603-L607 VanDerWaalsContact O-CB 3.22Å; D603-L607 WeakPolarHBondContact O-CB 3.49Å; D603-L607 PolarHBondContact O-N 3.07Å; F605-L607 VanDerWaalsContact C-N 3.3Å; F605-L607 PolarHBondContact O-N 3.37Å; L607-R609 VanDerWaalsContact C-N 3.29Å; L607-R609 PolarHBondContact O-N 3.1Å; L607-S610 PolarHBondContact O-N 3.24Å; L607-S610 VanDerWaalsContact O-N 3.15Å; L607-S610 PolarHBondContact O-OG 2.92Å; L607-I611 HydrophobicContact CD1-CD1 4.28Å; L607-I611 HydrophobicContact CD2-CD1 4.46Å; L607-I611 HydrophobicContact CG-CD1 3.87Å; L607-I611 WeakPolarHBondContact O-CG1 3.37Å; L607-I611 PolarHBondContact O-N 3.22Å
608	M	49.9	Very low	50.8	Low	11 Å²	11	75.4 Å²	75.4	5%	0.054	36%	0.363	C	S	.	.	H	α-helix	trans	-59.7	-39	174.3	-83.9	-169.9	-62.1	0	0	112.3	C595 T600 S604 F605 I611 L612	C595-M608 HydrophobicContact CB-CG 4.19Å; C595-M608 HydrophobicContact CB-SD 3.64Å; C595-M608 VanDerWaalsContact O-SD 3.42Å; T600-M608 HydrophobicContact CG2-CE 3.72Å; T600-M608 HydrophobicContact CG2-SD 4.4Å; S604-M608 WeakPolarHBondContact O-CB 3.22Å; S604-M608 VanDerWaalsContact O-CG 3.26Å; S604-M608 WeakPolarHBondContact O-CG 3.29Å; S604-M608 PolarHBondContact O-N 2.92Å; F605-M608 HydrophobicContact CD1-CE 3.51Å; F605-M608 HydrophobicContact CE1-CE 3.54Å; F605-M608 HydrophobicContact CG-CE 4Å; F605-M608 HydrophobicContact CZ-CE 4.13Å; F605-M608 WeakPolarHBondContact O-CB 3.39Å; F605-M608 PolarHBondContact O-N 3.41Å; F605-M608 VanDerWaalsContact O-N 3.16Å; M608-I611 PolarHBondContact O-N 2.56Å; M608-L612 WeakPolarHBondContact O-CB 3.42Å; M608-L612 WeakPolarHBondContact O-CG 3.4Å; M608-L612 PolarHBondContact O-N 2.82Å
609	R	52.6	Low	52.6	Low	66 Å²	66	69.3 Å²	69.3	25%	0.249	34%	0.335	C	S	.	.	H	α-helix	trans	-56.9	-52.4	172.4	-150.1	179.2	-161.3	161.1	2.2	109.5	F605 D606 L607 I611 L612 Y613	F605-R609 WeakPolarHBondContact O-CB 3.47Å; F605-R609 PolarHBondContact O-N 2.98Å; D606-R609 WeakPolarHBondContact O-CB 3.49Å; D606-R609 PolarHBondContact O-N 2.98Å; D606-R609 WeakPolarHBondContact OD1-CD 3.38Å; D606-R609 IonicContact OD1-CZ 2.92Å; D606-R609 IonicContact OD1-NH1 3.92Å; D606-R609 PolarHBondContact OD1-NH1 2.97Å; L607-R609 VanDerWaalsContact C-N 3.29Å; L607-R609 PolarHBondContact O-N 3.1Å; R609-I611 VanDerWaalsContact C-N 3.33Å; R609-I611 PolarHBondContact O-N 3.26Å; R609-L612 PolarHBondContact O-N 2.92Å; R609-Y613 HydrophobicContact CG-CD2 4.12Å; R609-Y613 HydrophobicContact CG-CE2 4.05Å; R609-Y613 WeakPolarHBondContact O-CB 3.47Å; R609-Y613 VanDerWaalsContact O-CD2 3.29Å; R609-Y613 WeakPolarHBondContact O-CD2 3.15Å; R609-Y613 PolarHBondContact O-N 2.94Å
610	S	50.7	Low	54.7	Low	48 Å²	48	62 Å²	62	34%	0.336	31%	0.311	S	S	.	.	H	α-helix	trans	-59.5	-39.7	177.4	82	0	0	0	0	113.3	D606 L607 K614	D606-S610 PolarHBondContact O-N 3.25Å; L607-S610 PolarHBondContact O-N 3.24Å; L607-S610 VanDerWaalsContact O-N 3.15Å; L607-S610 PolarHBondContact O-OG 2.92Å; S610-K614 VanDerWaalsContact O-CB 3.29Å; S610-K614 WeakPolarHBondContact O-CB 3.29Å; S610-K614 WeakPolarHBondContact O-CG 3.25Å; S610-K614 PolarHBondContact O-N 3.29Å
611	I	52.2	Low	56.8	Low	61 Å²	61	60.6 Å²	60.6	31%	0.313	30%	0.303	S	S	.	.	H	α-helix	trans	-71.1	-40.4	-179.4	-71.3	168.7	0	0	0	111.7	L607 M608 R609 N615 Y616	L607-I611 HydrophobicContact CD1-CD1 4.28Å; L607-I611 HydrophobicContact CD2-CD1 4.46Å; L607-I611 HydrophobicContact CG-CD1 3.87Å; L607-I611 WeakPolarHBondContact O-CG1 3.37Å; L607-I611 PolarHBondContact O-N 3.22Å; M608-I611 PolarHBondContact O-N 2.56Å; R609-I611 VanDerWaalsContact C-N 3.33Å; R609-I611 PolarHBondContact O-N 3.26Å; I611-N615 WeakPolarHBondContact O-CA 3.42Å; I611-N615 WeakPolarHBondContact O-CB 3.31Å; I611-N615 PolarHBondContact O-N 3.18Å; I611-Y616 HydrophobicContact CG2-CD2 3.76Å; I611-Y616 HydrophobicContact CG2-CE2 3.7Å
612	L	53.7	Low	58.4	Low	22 Å²	22	62.5 Å²	62.5	12%	0.115	30%	0.303	C	S	.	.	H	α-helix	trans	-72.8	-43.8	179.3	-73.6	170.1	0	0	0	111.9	L571 F596 M608 R609	L571-L612 HydrophobicContact CB-CD1 4.12Å; L571-L612 HydrophobicContact CD1-CD1 3.76Å; L571-L612 HydrophobicContact CD2-CD1 3.8Å; L571-L612 HydrophobicContact CG-CD1 4.09Å; F596-L612 HydrophobicContact CZ-CD2 4.41Å; M608-L612 WeakPolarHBondContact O-CB 3.42Å; M608-L612 WeakPolarHBondContact O-CG 3.4Å; M608-L612 PolarHBondContact O-N 2.82Å; R609-L612 PolarHBondContact O-N 2.92Å
613	Y	53.4	Low	59.9	Low	74 Å²	74	58.6 Å²	58.6	29%	0.29	29%	0.29	S	S	.	.	H	α-helix	trans	-68.2	-35.6	178	-82.8	-93.9	0	0	0	112.1	Y539 R609	Y539-Y613 HydrophobicContact CE1-CD1 4.07Å; Y539-Y613 WeakPolarHBondContact CE1-O 3.47Å; Y539-Y613 PolarHBondContact OH-O 2.99Å; R609-Y613 HydrophobicContact CG-CD2 4.12Å; R609-Y613 HydrophobicContact CG-CE2 4.05Å; R609-Y613 WeakPolarHBondContact O-CB 3.47Å; R609-Y613 VanDerWaalsContact O-CD2 3.29Å; R609-Y613 WeakPolarHBondContact O-CD2 3.15Å; R609-Y613 PolarHBondContact O-N 2.94Å
614	K	51.8	Low	61.9	Low	150 Å²	150	52.5 Å²	52.5	65%	0.652	26%	0.257	S	S	*	.	H	α-helix	trans	-87.4	-47.1	179.1	-64	-178.1	175.8	-175	0	114.1	K542 S610	K542-K614 PolarHBondContact NZ-O 2.87Å; S610-K614 VanDerWaalsContact O-CB 3.29Å; S610-K614 WeakPolarHBondContact O-CB 3.29Å; S610-K614 WeakPolarHBondContact O-CG 3.25Å; S610-K614 PolarHBondContact O-N 3.29Å
615	N	54.5	Low	63.7	Low	76 Å²	76	51 Å²	51	41%	0.406	25%	0.246	S	C	.	.	H	α-helix	trans	-113	-15.8	-155.3	-70.2	30.9	0	0	0	116.1	E510 I611	E510-N615 PolarHBondContact OE1-ND2 3.28Å; I611-N615 WeakPolarHBondContact O-CA 3.42Å; I611-N615 WeakPolarHBondContact O-CB 3.31Å; I611-N615 PolarHBondContact O-N 3.18Å
616	Y	58.6	Low	65.5	Low	58 Å²	58	52.5 Å²	52.5	23%	0.227	25%	0.254	C	S	.	.			trans	-119	120	-177.7	-77.9	-89.8	0	0	0	112.9	I611 Y618	I611-Y616 HydrophobicContact CG2-CD2 3.76Å; I611-Y616 HydrophobicContact CG2-CE2 3.7Å; Y616-Y618 PolarHBondContact O-N 3.13Å
617	P	65	Low	67	Low	18 Å²	18	50 Å²	50	12%	0.117	24%	0.242	C	C	.	.			trans	-74.2	128.6	174	31.2	-32.6	0	0	0	110.4	H505 K542 I546 P586	H505-P617 WeakPolarHBondContact NE2-CG 3.37Å; K542-P617 HydrophobicContact CB-CB 4.18Å; I546-P617 HydrophobicContact CD1-CB 4.16Å; P586-P617 WeakPolarHBondContact CD-O 3.35Å
618	Y	70.6	Confident	68.9	Low	51 Å²	51	45.3 Å²	45.3	20%	0.2	22%	0.217	C	C	.	.			trans	-124.7	166.4	173.4	64.8	-89.5	0	0	0	110.2	F568 I583 I584 Y616	F568-Y618 HydrophobicContact CE2-CE2 4.37Å; I583-Y618 HydrophobicContact CB-CD2 4.19Å; I583-Y618 HydrophobicContact CG2-CD2 3.59Å; I583-Y618 HydrophobicContact CG2-CE2 4.11Å; I583-Y618 HydrophobicContact CG2-CG 4.4Å; I584-Y618 WeakPolarHBondContact O-CA 3.5Å; Y616-Y618 PolarHBondContact O-N 3.13Å
619	V	76.5	Confident	70.7	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	142	174.9	146.7	0	0	0	0	109.7	S543 I546 L547 I583 I584 F621 V624	S543-V619 WeakPolarHBondContact O-CG2 3.18Å; I546-V619 HydrophobicContact CB-CB 4.47Å; I546-V619 HydrophobicContact CB-CG2 3.81Å; I546-V619 HydrophobicContact CD1-CG2 4.17Å; I546-V619 HydrophobicContact CG2-CB 4.25Å; I546-V619 HydrophobicContact CG2-CG2 4.1Å; L547-V619 HydrophobicContact CD2-CG1 3.71Å; L547-V619 HydrophobicContact CD2-CG2 4.4Å; L547-V619 HydrophobicContact CG-CG1 4.3Å; L547-V619 HydrophobicContact CG-CG2 4.12Å; I583-V619 CarbonylContact C-O 3.56Å; I583-V619 WeakPolarHBondContact CA-O 3.35Å; I584-V619 PolarHBondContact N-O 2.79Å; I584-V619 PolarHBondContact O-N 3.33Å; V619-F621 PolarHBondContact O-N 3.47Å; V619-V624 HydrophobicContact CG1-CG2 3.45Å; V619-V624 VanDerWaalsContact CG1-CG2 3.45Å
620	L	80.8	Confident	72.1	Confident	58 Å²	58	48.5 Å²	48.5	30%	0.304	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	131.4	171.8	-61.7	177	0	0	0	110.3	E581 I583 K622 S623 V624	E581-L620 HydrophobicContact CB-CD2 4.3Å; I583-L620 HydrophobicContact CG2-CD2 4.23Å; L620-K622 PolarHBondContact O-N 3.46Å; L620-S623 WeakPolarHBondContact O-CB 3.44Å; L620-S623 PolarHBondContact O-N 3.35Å; L620-V624 PolarHBondContact O-N 2.99Å
621	F	83.2	Confident	73.7	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.009	22%	0.222	C	C	.	.	H	α-helix	trans	-57	-35	179.2	-176	-104.9	0	0	0	112.1	L563 L582 I584 V619 S623 V624 L625 I644 L657 L661	L563-F621 HydrophobicContact CD1-CE2 4.21Å; L582-F621 HydrophobicContact CB-CB 3.7Å; L582-F621 HydrophobicContact CB-CG 4.31Å; L582-F621 WeakPolarHBondContact O-CB 3.44Å; L582-F621 PolarHBondContact O-N 3.02Å; I584-F621 HydrophobicContact CD1-CD2 3.88Å; I584-F621 HydrophobicContact CD1-CE2 4.5Å; I584-F621 HydrophobicContact CG1-CD2 4.08Å; V619-F621 PolarHBondContact O-N 3.47Å; F621-S623 PolarHBondContact O-N 3.49Å; F621-V624 WeakPolarHBondContact O-CB 3.46Å; F621-V624 PolarHBondContact O-N 3.04Å; F621-V624 VanDerWaalsContact O-N 3.13Å; F621-L625 HydrophobicContact CD1-CD1 4.01Å; F621-L625 HydrophobicContact CD1-CG 4.1Å; F621-L625 HydrophobicContact CE1-CD1 3.66Å; F621-L625 HydrophobicContact CE1-CD2 3.84Å; F621-L625 HydrophobicContact CE1-CG 3.79Å; F621-L625 HydrophobicContact CZ-CD1 4.48Å; F621-L625 HydrophobicContact CZ-CD2 3.82Å; F621-L625 HydrophobicContact CZ-CG 4.23Å; F621-L625 PolarHBondContact O-N 2.93Å; F621-I644 HydrophobicContact CE2-CD1 4.42Å; F621-I644 HydrophobicContact CZ-CD1 3.99Å; F621-L657 HydrophobicContact CD1-CD1 4.04Å; F621-L657 HydrophobicContact CE1-CD1 3.33Å; F621-L657 HydrophobicContact CZ-CD1 3.81Å; F621-L661 HydrophobicContact CE1-CD2 4.4Å; F621-L661 HydrophobicContact CZ-CD2 4.18Å
622	K	82.9	Confident	75.3	Confident	100 Å²	100	43.7 Å²	43.7	44%	0.435	21%	0.207	S	C	.	.	H	α-helix	trans	-53.9	-47	173.7	-171.7	-178.1	-179.1	-176.1	0	112.7	L620 V624 L625 Q626 Y664	L620-K622 PolarHBondContact O-N 3.46Å; K622-V624 VanDerWaalsContact C-N 3.3Å; K622-V624 PolarHBondContact O-N 3.04Å; K622-L625 PolarHBondContact O-N 2.87Å; K622-Q626 PolarHBondContact O-N 2.9Å; K622-Q626 VanDerWaalsContact O-N 3.09Å; K622-Y664 WeakPolarHBondContact CE-OH 3.25Å; K622-Y664 HydrophobicContact CG-CE1 4.47Å; K622-Y664 HydrophobicContact CG-CE2 4.48Å; K622-Y664 WeakPolarHBondContact CG-OH 3.35Å
623	S	82.3	Confident	76.8	Confident	39 Å²	39	44 Å²	44	27%	0.273	21%	0.208	S	C	.	.	H	α-helix	trans	-65.6	-32.6	178.3	-50.1	0	0	0	0	112.2	L620 F621 Q626 V627	L620-S623 WeakPolarHBondContact O-CB 3.44Å; L620-S623 PolarHBondContact O-N 3.35Å; F621-S623 PolarHBondContact O-N 3.49Å; S623-Q626 PolarHBondContact O-N 2.83Å; S623-V627 WeakPolarHBondContact O-CG2 3.22Å; S623-V627 PolarHBondContact O-N 3.44Å; S623-V627 VanDerWaalsContact O-N 3.14Å
624	V	85.1	Confident	78.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.2	-43.4	173.5	176	0	0	0	0	111.1	L547 I550 L563 I584 V619 L620 F621 K622 Q626 V627 L628	L547-V624 HydrophobicContact CD2-CG2 3.86Å; I550-V624 HydrophobicContact CD1-CB 4.4Å; I550-V624 HydrophobicContact CD1-CG1 3.86Å; I550-V624 HydrophobicContact CD1-CG2 3.67Å; L563-V624 HydrophobicContact CD1-CG1 4.08Å; I584-V624 HydrophobicContact CD1-CB 4.13Å; I584-V624 HydrophobicContact CD1-CG1 4.17Å; I584-V624 HydrophobicContact CD1-CG2 3.76Å; V619-V624 HydrophobicContact CG1-CG2 3.45Å; V619-V624 VanDerWaalsContact CG1-CG2 3.45Å; L620-V624 PolarHBondContact O-N 2.99Å; F621-V624 WeakPolarHBondContact O-CB 3.46Å; F621-V624 PolarHBondContact O-N 3.04Å; F621-V624 VanDerWaalsContact O-N 3.13Å; K622-V624 VanDerWaalsContact C-N 3.3Å; K622-V624 PolarHBondContact O-N 3.04Å; V624-Q626 PolarHBondContact O-N 2.89Å; V624-V627 PolarHBondContact O-N 2.86Å; V624-L628 HydrophobicContact CG1-CD1 4.3Å; V624-L628 HydrophobicContact CG1-CG 4.22Å; V624-L628 WeakPolarHBondContact O-CB 3.44Å; V624-L628 VanDerWaalsContact O-CG 3.29Å; V624-L628 WeakPolarHBondContact O-CG 3.22Å; V624-L628 PolarHBondContact O-N 3.05Å
625	L	87.1	Confident	79.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-35.7	175.2	-65.3	-174.9	0	0	0	112.4	F621 K622 N629 L660 L661 Y664 L665	F621-L625 HydrophobicContact CD1-CD1 4.01Å; F621-L625 HydrophobicContact CD1-CG 4.1Å; F621-L625 HydrophobicContact CE1-CD1 3.66Å; F621-L625 HydrophobicContact CE1-CD2 3.84Å; F621-L625 HydrophobicContact CE1-CG 3.79Å; F621-L625 HydrophobicContact CZ-CD1 4.48Å; F621-L625 HydrophobicContact CZ-CD2 3.82Å; F621-L625 HydrophobicContact CZ-CG 4.23Å; F621-L625 PolarHBondContact O-N 2.93Å; K622-L625 PolarHBondContact O-N 2.87Å; L625-N629 WeakPolarHBondContact O-CB 3.48Å; L625-N629 PolarHBondContact O-N 3.33Å; L625-L660 HydrophobicContact CD1-CB 4.15Å; L625-L661 HydrophobicContact CD2-CD2 3.78Å; L625-Y664 HydrophobicContact CB-CD1 3.67Å; L625-Y664 HydrophobicContact CB-CD2 4.44Å; L625-Y664 HydrophobicContact CB-CE1 4.45Å; L625-Y664 HydrophobicContact CB-CG 3.68Å; L625-Y664 HydrophobicContact CD1-CD2 4.13Å; L625-Y664 HydrophobicContact CD1-CG 4.09Å; L625-L665 HydrophobicContact CD2-CD1 3.98Å
626	Q	84.8	Confident	80.8	Confident	99 Å²	99	35.8 Å²	35.8	46%	0.463	18%	0.177	S	C	.	.	H	α-helix	trans	-63.5	-53.9	172.7	-179	175.6	-13.3	0	0	112	K622 S623 V624 L628 N629 E630 Y664	K622-Q626 PolarHBondContact O-N 2.9Å; K622-Q626 VanDerWaalsContact O-N 3.09Å; S623-Q626 PolarHBondContact O-N 2.83Å; V624-Q626 PolarHBondContact O-N 2.89Å; Q626-L628 PolarHBondContact O-N 3.35Å; Q626-N629 PolarHBondContact O-N 3.37Å; Q626-E630 VanDerWaalsContact CG-OE1 3.22Å; Q626-E630 WeakPolarHBondContact CG-OE1 3.34Å; Q626-E630 PolarHBondContact NE2-OE1 3.38Å; Q626-E630 PolarHBondContact O-N 3.38Å; Q626-Y664 HydrophobicContact CB-CE1 4.26Å
627	V	84.1	Confident	82.1	Confident	16 Å²	16	36.2 Å²	36.2	10%	0.097	18%	0.183	C	C	.	.	H	α-helix	trans	-57.2	-35.8	177.9	172	0	0	0	0	111.7	L547 I550 R551 S623 V624 N631	L547-V627 HydrophobicContact CB-CG2 4.34Å; L547-V627 HydrophobicContact CD2-CG2 4.1Å; I550-V627 HydrophobicContact CG2-CG1 4.24Å; R551-V627 HydrophobicContact CB-CG1 4.03Å; S623-V627 WeakPolarHBondContact O-CG2 3.22Å; S623-V627 PolarHBondContact O-N 3.44Å; S623-V627 VanDerWaalsContact O-N 3.14Å; V624-V627 PolarHBondContact O-N 2.86Å; V627-N631 WeakPolarHBondContact O-CB 3.24Å; V627-N631 PolarHBondContact O-N 2.96Å; V627-N631 PolarHBondContact O-ND2 3.05Å
628	L	88.2	Confident	83.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.6	-49.1	173.3	-71.4	-170.9	0	0	0	112.5	I550 L554 L561 V624 Q626 E630 N631 I632 F640 L642 L665	I550-L628 HydrophobicContact CG2-CD2 4.1Å; L554-L628 HydrophobicContact CD1-CD2 4Å; L561-L628 HydrophobicContact CD2-CD2 4.12Å; V624-L628 HydrophobicContact CG1-CD1 4.3Å; V624-L628 HydrophobicContact CG1-CG 4.22Å; V624-L628 WeakPolarHBondContact O-CB 3.44Å; V624-L628 VanDerWaalsContact O-CG 3.29Å; V624-L628 WeakPolarHBondContact O-CG 3.22Å; V624-L628 PolarHBondContact O-N 3.05Å; Q626-L628 PolarHBondContact O-N 3.35Å; L628-E630 PolarHBondContact O-N 3.06Å; L628-N631 PolarHBondContact O-N 3.18Å; L628-I632 HydrophobicContact CB-CD1 3.68Å; L628-I632 HydrophobicContact CB-CG1 4.17Å; L628-I632 HydrophobicContact CD1-CD1 4.42Å; L628-I632 HydrophobicContact CD2-CD1 4.01Å; L628-I632 HydrophobicContact CD2-CG1 4.03Å; L628-I632 HydrophobicContact CG-CD1 4.22Å; L628-I632 WeakPolarHBondContact O-CB 3.48Å; L628-I632 VanDerWaalsContact O-CG1 3.23Å; L628-I632 WeakPolarHBondContact O-CG1 3.39Å; L628-I632 PolarHBondContact O-N 3.45Å; L628-I632 VanDerWaalsContact O-N 3.11Å; L628-F640 HydrophobicContact CD2-CE1 4.49Å; L628-F640 HydrophobicContact CD2-CZ 4.34Å; L628-L642 HydrophobicContact CD1-CD1 4.06Å; L628-L642 HydrophobicContact CD1-CD2 4.09Å; L628-L665 HydrophobicContact CB-CD2 4.26Å
629	N	86.5	Confident	84.2	Confident	51 Å²	51	36.2 Å²	36.2	27%	0.273	18%	0.184	S	C	.	.	H	α-helix	trans	-62	-29.4	179.2	-178.1	28.8	0	0	0	113.2	L625 Q626 Y664 L665 W668	L625-N629 WeakPolarHBondContact O-CB 3.48Å; L625-N629 PolarHBondContact O-N 3.33Å; Q626-N629 PolarHBondContact O-N 3.37Å; N629-Y664 VanDerWaalsContact CG-O 3.28Å; N629-L665 HydrophobicContact CB-CD2 4.13Å; N629-W668 WeakPolarHBondContact O-CH2 3.49Å
630	E	81.8	Confident	85	Confident	92 Å²	92	36 Å²	36	43%	0.43	18%	0.183	S	C	.	.	H	α-helix	trans	-80.4	-37.4	177.3	-72.1	174.5	-153.3	0	0	113.5	Q626 L628	Q626-E630 VanDerWaalsContact CG-OE1 3.22Å; Q626-E630 WeakPolarHBondContact CG-OE1 3.34Å; Q626-E630 PolarHBondContact NE2-OE1 3.38Å; Q626-E630 PolarHBondContact O-N 3.38Å; L628-E630 PolarHBondContact O-N 3.06Å
631	N	84.7	Confident	85.5	Confident	8 Å²	8	34.9 Å²	34.9	4%	0.043	18%	0.177	C	C	.	.	H	α-helix	trans	-119.9	-13.9	-161.2	-57.3	-81.3	0	0	0	116.5	R551 L554 V627 L628 F633 L634	R551-N631 PolarHBondContact NH1-ND2 2.94Å; R551-N631 PolarHBondContact NH1-OD1 3.45Å; R551-N631 PolarHBondContact NH2-OD1 3.08Å; R551-N631 VanDerWaalsContact NH2-OD1 3.1Å; L554-N631 HydrophobicContact CD1-CB 3.78Å; V627-N631 WeakPolarHBondContact O-CB 3.24Å; V627-N631 PolarHBondContact O-N 2.96Å; V627-N631 PolarHBondContact O-ND2 3.05Å; L628-N631 PolarHBondContact O-N 3.18Å; N631-F633 PolarHBondContact O-N 3.46Å; N631-L634 WeakPolarHBondContact O-CB 3.39Å; N631-L634 PolarHBondContact O-N 3.26Å
632	I	85.5	Confident	85.9	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-50.4	-170.5	-80	169.5	0	0	0	113.7	L554 R559 L628 F640 W668 I714	L554-I632 HydrophobicContact CD1-CG1 4.04Å; L554-I632 HydrophobicContact CD2-CG1 4.02Å; R559-I632 PolarHBondContact NH1-O 3.38Å; L628-I632 HydrophobicContact CB-CD1 3.68Å; L628-I632 HydrophobicContact CB-CG1 4.17Å; L628-I632 HydrophobicContact CD1-CD1 4.42Å; L628-I632 HydrophobicContact CD2-CD1 4.01Å; L628-I632 HydrophobicContact CD2-CG1 4.03Å; L628-I632 HydrophobicContact CG-CD1 4.22Å; L628-I632 WeakPolarHBondContact O-CB 3.48Å; L628-I632 VanDerWaalsContact O-CG1 3.23Å; L628-I632 WeakPolarHBondContact O-CG1 3.39Å; L628-I632 PolarHBondContact O-N 3.45Å; L628-I632 VanDerWaalsContact O-N 3.11Å; I632-F640 HydrophobicContact CD1-CD1 3.73Å; I632-F640 HydrophobicContact CD1-CE1 3.84Å; I632-F640 HydrophobicContact CD1-CG 4.23Å; I632-F640 HydrophobicContact CD1-CZ 4.43Å; I632-F640 HydrophobicContact CG1-CD1 4.23Å; I632-F640 HydrophobicContact CG1-CD2 4.44Å; I632-F640 HydrophobicContact CG1-CE1 4.25Å; I632-F640 HydrophobicContact CG1-CE2 4.48Å; I632-F640 HydrophobicContact CG1-CG 4.31Å; I632-F640 HydrophobicContact CG1-CZ 4.38Å; I632-F640 HydrophobicContact CG2-CB 3.66Å; I632-F640 HydrophobicContact CG2-CD1 4.33Å; I632-F640 HydrophobicContact CG2-CD2 4.08Å; I632-F640 HydrophobicContact CG2-CG 3.78Å; I632-W668 HydrophobicContact CB-CZ3 4.24Å; I632-I714 HydrophobicContact CD1-CD1 3.65Å; I632-I714 HydrophobicContact CD1-CG1 4.41Å
633	F	86.4	Confident	86.1	Confident	28 Å²	28	31.5 Å²	31.5	12%	0.123	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	14.1	-173.1	-61	-66.1	0	0	0	113.7	N631 I635 F640 W668 N712 I714	N631-F633 PolarHBondContact O-N 3.46Å; F633-I635 VanDerWaalsContact C-N 3.31Å; F633-I635 PolarHBondContact O-N 3.14Å; F633-F640 HydrophobicContact CE1-CB 4.43Å; F633-F640 HydrophobicContact CZ-CB 4.41Å; F633-W668 AromaticContact CD2-CD2 3.88Å; F633-W668 HydrophobicContact CD2-CD2 3.88Å; F633-W668 AromaticContact CD2-CE2 3.85Å; F633-W668 AromaticContact CD2-CE3 3.95Å; F633-W668 HydrophobicContact CD2-CE3 3.95Å; F633-W668 HydrophobicContact CD2-CG 4.47Å; F633-W668 AromaticContact CD2-CH2 3.88Å; F633-W668 HydrophobicContact CD2-CH2 3.88Å; F633-W668 AromaticContact CD2-CZ2 3.87Å; F633-W668 HydrophobicContact CD2-CZ2 3.87Å; F633-W668 AromaticContact CD2-CZ3 3.93Å; F633-W668 HydrophobicContact CD2-CZ3 3.93Å; F633-W668 HydrophobicContact CE2-CB 4.18Å; F633-W668 AromaticContact CE2-CD2 3.59Å; F633-W668 HydrophobicContact CE2-CD2 3.59Å; F633-W668 AromaticContact CE2-CE3 3.67Å; F633-W668 HydrophobicContact CE2-CE3 3.67Å; F633-W668 AromaticContact CE2-CG 3.86Å; F633-W668 HydrophobicContact CE2-CG 3.86Å; F633-W668 HydrophobicContact CE2-CH2 4.45Å; F633-W668 HydrophobicContact CE2-CZ2 4.45Å; F633-W668 HydrophobicContact CE2-CZ3 4.09Å; F633-N712 VanDerWaalsContact CZ-C 3.49Å; F633-I714 HydrophobicContact CE2-CG1 4.29Å; F633-I714 HydrophobicContact CZ-CG1 4.08Å
634	L	81.3	Confident	86.3	Confident	70 Å²	70	29.6 Å²	29.6	37%	0.366	15%	0.15	S	C	.	.	S	Bend	trans	-62.7	-32.7	-173.7	-172.1	69.7	0	0	0	114.2	L150 L555 N631	L150-L634 HydrophobicContact CD1-CD1 4.41Å; L150-L634 HydrophobicContact CD1-CD2 4.07Å; L150-L634 HydrophobicContact CD2-CD2 4.01Å; L555-L634 HydrophobicContact CD2-CD2 3.75Å; N631-L634 WeakPolarHBondContact O-CB 3.39Å; N631-L634 PolarHBondContact O-N 3.26Å
635	I	79.7	Confident	86.2	Confident	37 Å²	37	30.5 Å²	30.5	19%	0.19	16%	0.155	C	C	.	.	S	Bend	trans	-121.6	-17.4	-170.4	-74.4	148.8	0	0	0	113.3	F154 L555 F633	F154-I635 HydrophobicContact CB-CD1 3.47Å; F154-I635 VanDerWaalsContact CB-CD1 3.47Å; F154-I635 HydrophobicContact CB-CG1 3.93Å; F154-I635 HydrophobicContact CG-CD1 4.05Å; L555-I635 HydrophobicContact CB-CD1 4.22Å; L555-I635 HydrophobicContact CD2-CD1 3.52Å; L555-I635 HydrophobicContact CG-CD1 4.47Å; F633-I635 VanDerWaalsContact C-N 3.31Å; F633-I635 PolarHBondContact O-N 3.14Å
636	S	81.4	Confident	85.9	Confident	21 Å²	21	30.7 Å²	30.7	15%	0.147	16%	0.156	C	C	.	.			trans	-162.6	129.4	174.8	134.5	0	0	0	0	111.3	R559 H638	R559-S636 PolarHBondContact NE-OG 3.45Å; R559-S636 PolarHBondContact NH2-O 3.27Å; S636-H638 PolarHBondContact O-N 3.22Å
637	D	86.1	Confident	85.3	Confident	67 Å²	67	29.2 Å²	29.2	36%	0.358	15%	0.147	S	C	.	.			trans	-71.9	-3.1	-175.4	-53.6	24.2	0	0	0	114.3	K711 N712	D637-K711 HydrophobicContact CB-CD 4.12Å; D637-K711 VanDerWaalsContact CB-CE 3.48Å; D637-K711 HydrophobicContact CB-CG 3.54Å; D637-K711 CarbonylContact O-C 3.58Å; D637-K711 WeakPolarHBondContact O-CA 3.44Å; D637-K711 WeakPolarHBondContact O-CG 3.22Å; D637-K711 WeakPolarHBondContact OD2-CE 3.44Å; D637-N712 WeakPolarHBondContact CA-OD1 3.37Å; D637-N712 WeakPolarHBondContact CB-OD1 3.39Å; D637-N712 PolarHBondContact O-N 2.85Å
638	H	88.2	Confident	84.4	Confident	59 Å²	59	30.3 Å²	30.3	27%	0.273	16%	0.161	S	C	.	.	S	Bend	trans	-68.7	151.9	-175.5	-68.7	-35.3	0	0	0	111.8	R559 S636	R559-H638 WeakPolarHBondContact CD-O 3.44Å; S636-H638 PolarHBondContact O-N 3.22Å
639	P	91.7	Very high	83.3	Confident	9 Å²	9	31 Å²	31	6%	0.058	17%	0.165	C	C	.	.			trans	-53.2	143	-176.2	19.9	-35	0	0	0	113.5	L493 P707 L710 K713	L493-P639 HydrophobicContact CD1-CG 4.23Å; P639-P707 VanDerWaalsContact CD-O 3.24Å; P639-P707 WeakPolarHBondContact CD-O 3.49Å; P639-P707 HydrophobicContact CG-CB 4.28Å; P639-L710 HydrophobicContact CB-CB 3.76Å; P639-L710 WeakPolarHBondContact CB-O 3.4Å; P639-L710 HydrophobicContact CG-CB 3.81Å; P639-L710 HydrophobicContact CG-CD1 4.48Å; P639-K713 WeakPolarHBondContact CA-O 3.4Å
640	F	93	Very high	82.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.1	176.3	-175.3	-95.9	0	0	0	110.5	L554 R559 L561 L628 I632 F633 L642 K713 I714 L715	L554-F640 HydrophobicContact CD2-CD2 4.18Å; L554-F640 HydrophobicContact CD2-CE2 3.4Å; L554-F640 VanDerWaalsContact CD2-CE2 3.4Å; L554-F640 HydrophobicContact CD2-CZ 3.87Å; R559-F640 CarbonylContact O-C 3.55Å; R559-F640 WeakPolarHBondContact O-CA 3.17Å; L561-F640 HydrophobicContact CB-CE1 4.36Å; L561-F640 HydrophobicContact CB-CE2 4.47Å; L561-F640 HydrophobicContact CB-CZ 3.66Å; L561-F640 HydrophobicContact CD2-CZ 4.41Å; L628-F640 HydrophobicContact CD2-CE1 4.49Å; L628-F640 HydrophobicContact CD2-CZ 4.34Å; I632-F640 HydrophobicContact CD1-CD1 3.73Å; I632-F640 HydrophobicContact CD1-CE1 3.84Å; I632-F640 HydrophobicContact CD1-CG 4.23Å; I632-F640 HydrophobicContact CD1-CZ 4.43Å; I632-F640 HydrophobicContact CG1-CD1 4.23Å; I632-F640 HydrophobicContact CG1-CD2 4.44Å; I632-F640 HydrophobicContact CG1-CE1 4.25Å; I632-F640 HydrophobicContact CG1-CE2 4.48Å; I632-F640 HydrophobicContact CG1-CG 4.31Å; I632-F640 HydrophobicContact CG1-CZ 4.38Å; I632-F640 HydrophobicContact CG2-CB 3.66Å; I632-F640 HydrophobicContact CG2-CD1 4.33Å; I632-F640 HydrophobicContact CG2-CD2 4.08Å; I632-F640 HydrophobicContact CG2-CG 3.78Å; F633-F640 HydrophobicContact CE1-CB 4.43Å; F633-F640 HydrophobicContact CZ-CB 4.41Å; F640-L642 HydrophobicContact CD1-CB 4.5Å; F640-L642 HydrophobicContact CE1-CB 4.22Å; F640-L642 HydrophobicContact CE1-CD1 4.36Å; F640-K713 PolarHBondContact N-O 3.2Å; F640-I714 HydrophobicContact CB-CG1 4.35Å; F640-I714 HydrophobicContact CD1-CG1 4.44Å; F640-I714 CarbonylContact O-C 3.58Å; F640-I714 VanDerWaalsContact O-CA 3.3Å; F640-I714 WeakPolarHBondContact O-CA 3.5Å; F640-L715 PolarHBondContact O-N 2.71Å
641	I	91.7	Very high	82	Confident	34 Å²	34	33.4 Å²	33.4	17%	0.174	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	110.6	-178.1	-49.9	-177.8	0	0	0	109.9	I498 R559 A560 L561 I643 L715	I498-I641 HydrophobicContact CD1-CD1 3.62Å; R559-I641 PolarHBondContact O-N 3.42Å; A560-I641 CarbonylContact C-O 3.53Å; A560-I641 WeakPolarHBondContact CA-O 3.3Å; A560-I641 HydrophobicContact CB-CB 3.85Å; L561-I641 PolarHBondContact N-O 3.44Å; I641-I643 HydrophobicContact CG2-CD1 4.43Å; I641-I643 HydrophobicContact CG2-CG1 4.04Å; I641-L715 CarbonylContact C-O 3.56Å; I641-L715 WeakPolarHBondContact CA-O 3.46Å; I641-L715 HydrophobicContact CG1-CB 4.31Å; I641-L715 HydrophobicContact CG1-CD1 4.27Å
642	L	90.9	Very high	81.3	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	114	177	-174.6	60.1	0	0	0	109.9	L563 L628 F640 I644 L661 L665 I714 L715 L716 S717	L563-L642 HydrophobicContact CD1-CD1 3.76Å; L563-L642 HydrophobicContact CG-CD1 4.28Å; L628-L642 HydrophobicContact CD1-CD1 4.06Å; L628-L642 HydrophobicContact CD1-CD2 4.09Å; F640-L642 HydrophobicContact CD1-CB 4.5Å; F640-L642 HydrophobicContact CE1-CB 4.22Å; F640-L642 HydrophobicContact CE1-CD1 4.36Å; L642-I644 HydrophobicContact CD2-CD1 4.07Å; L642-I644 HydrophobicContact CD2-CG1 4.4Å; L642-I644 HydrophobicContact CG-CD1 4.18Å; L642-I644 HydrophobicContact CG-CG1 3.96Å; L642-L661 HydrophobicContact CD2-CD2 4.28Å; L642-L665 HydrophobicContact CD2-CD1 4.22Å; L642-I714 HydrophobicContact CB-CG2 4.21Å; L642-L715 PolarHBondContact N-O 3.12Å; L642-L716 HydrophobicContact CB-CD1 4.25Å; L642-L716 HydrophobicContact CD2-CD1 4.13Å; L642-L716 HydrophobicContact CG-CD1 4.25Å; L642-S717 PolarHBondContact O-N 3.45Å
643	I	87.7	Confident	80.4	Confident	29 Å²	29	40.5 Å²	40.5	15%	0.149	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.1	179.2	-54.7	179.4	0	0	0	108.3	L561 I562 L563 I641 S717	L561-I643 PolarHBondContact O-N 3.1Å; I562-I643 WeakPolarHBondContact CA-O 3.4Å; I562-I643 HydrophobicContact CB-CB 4.45Å; I562-I643 HydrophobicContact CG1-CB 3.97Å; I562-I643 HydrophobicContact CG1-CD1 3.95Å; I562-I643 HydrophobicContact CG1-CG1 4.4Å; I562-I643 HydrophobicContact CG1-CG2 4.31Å; I562-I643 HydrophobicContact CG2-CG2 4.38Å; L563-I643 PolarHBondContact N-O 3.24Å; I641-I643 HydrophobicContact CG2-CD1 4.43Å; I641-I643 HydrophobicContact CG2-CG1 4.04Å; I643-S717 CarbonylContact C-O 3.56Å; I643-S717 WeakPolarHBondContact CA-O 3.23Å
644	I	86.9	Confident	79.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	114.5	-175.6	-44.7	-179.8	0	0	0	109.5	C565 F621 L642 L646 L661 L716 S717 R719	C565-I644 HydrophobicContact CB-CG2 4.31Å; F621-I644 HydrophobicContact CE2-CD1 4.42Å; F621-I644 HydrophobicContact CZ-CD1 3.99Å; L642-I644 HydrophobicContact CD2-CD1 4.07Å; L642-I644 HydrophobicContact CD2-CG1 4.4Å; L642-I644 HydrophobicContact CG-CD1 4.18Å; L642-I644 HydrophobicContact CG-CG1 3.96Å; I644-L646 HydrophobicContact CG2-CD2 3.54Å; I644-L646 HydrophobicContact CG2-CG 4.39Å; I644-L661 HydrophobicContact CD1-CD1 4.07Å; I644-L661 HydrophobicContact CD1-CD2 4.12Å; I644-L716 HydrophobicContact CD1-CD1 3.77Å; I644-L716 HydrophobicContact CG1-CD1 4.25Å; I644-S717 PolarHBondContact N-O 3.45Å; I644-R719 PolarHBondContact O-N 3.27Å
645	N	82.9	Confident	79.4	Confident	19 Å²	19	42.2 Å²	42.2	10%	0.102	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	124.8	170.7	-59.5	-43.5	0	0	0	108.9	L563 D564 C565 Y647 R719 V721	L563-N645 PolarHBondContact O-N 3.37Å; D564-N645 WeakPolarHBondContact OD1-CB 3.41Å; D564-N645 PolarHBondContact OD1-ND2 3.43Å; C565-N645 PolarHBondContact N-O 2.94Å; N645-Y647 HydrophobicContact CB-CE2 3.78Å; N645-R719 WeakPolarHBondContact OD1-CD 3.29Å; N645-V721 HydrophobicContact CB-CG2 4.14Å
646	L	80.5	Confident	79.1	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.4	-173.5	-63	-172.3	0	0	0	111.1	C565 I644 L649 L657 I718 R719 L720 V721	C565-L646 HydrophobicContact CB-CD2 4.1Å; I644-L646 HydrophobicContact CG2-CD2 3.54Å; I644-L646 HydrophobicContact CG2-CG 4.39Å; L646-L649 HydrophobicContact CB-CD1 3.72Å; L646-L649 HydrophobicContact CD1-CD1 4.13Å; L646-L649 HydrophobicContact CD2-CD1 3.68Å; L646-L649 HydrophobicContact CG-CD1 4.03Å; L646-L657 HydrophobicContact CD1-CD2 3.63Å; L646-L657 HydrophobicContact CD2-CD2 3.58Å; L646-L657 HydrophobicContact CG-CD2 4.26Å; L646-I718 HydrophobicContact CD1-CG2 3.35Å; L646-I718 HydrophobicContact CG-CG2 3.87Å; L646-R719 PolarHBondContact N-O 2.79Å; L646-L720 HydrophobicContact CB-CD1 4.18Å; L646-V721 PolarHBondContact O-N 2.84Å
647	Y	72.6	Confident	79.1	Confident	68 Å²	68	44.3 Å²	44.3	27%	0.267	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.3	-178.1	-62.8	-92	0	0	0	111.3	D564 C565 H566 N645 L649 V721	D564-Y647 HydrophobicContact CB-CE2 4Å; C565-Y647 PolarHBondContact O-N 3.35Å; C565-Y647 VanDerWaalsContact O-N 3.12Å; H566-Y647 AromaticContact CE1-CD2 3.72Å; H566-Y647 AromaticContact CE1-CG 3.75Å; H566-Y647 AromaticContact ND1-CG 3.99Å; H566-Y647 AromaticContact NE2-CD2 3.9Å; N645-Y647 HydrophobicContact CB-CE2 3.78Å; Y647-L649 PolarHBondContact O-N 3.01Å; Y647-V721 HydrophobicContact CD1-CB 3.91Å; Y647-V721 HydrophobicContact CD1-CG1 4.13Å; Y647-V721 HydrophobicContact CE1-CB 3.68Å; Y647-V721 HydrophobicContact CE1-CG1 3.59Å; Y647-V721 HydrophobicContact CE1-CG2 4Å; Y647-V721 HydrophobicContact CE2-CG2 4.39Å
648	G	63.9	Low	78.9	Confident	39 Å²	39	42.3 Å²	42.3	40%	0.402	23%	0.225	S	C	.	.	S	Bend	trans	71.5	18.8	170.5	0	0	0	0	0	116.9
649	L	67	Low	78.6	Confident	14 Å²	14	45 Å²	45	7%	0.073	24%	0.242	C	C	.	.			trans	-93.3	121.9	-170.7	-89.2	154.9	0	0	0	114.3	Y567 L582 L646 Y647 Q653 Q654	Y567-L649 HydrophobicContact CD2-CD2 4.01Å; L582-L649 HydrophobicContact CD2-CD1 3.97Å; L582-L649 HydrophobicContact CD2-CD2 4.11Å; L582-L649 HydrophobicContact CD2-CG 4.37Å; L646-L649 HydrophobicContact CB-CD1 3.72Å; L646-L649 HydrophobicContact CD1-CD1 4.13Å; L646-L649 HydrophobicContact CD2-CD1 3.68Å; L646-L649 HydrophobicContact CG-CD1 4.03Å; Y647-L649 PolarHBondContact O-N 3.01Å; L649-Q653 HydrophobicContact CD2-CB 3.38Å; L649-Q653 HydrophobicContact CD2-CG 4.38Å; L649-Q654 HydrophobicContact CB-CG 4.24Å; L649-Q654 PolarHBondContact O-NE2 3.02Å
650	G	68.5	Low	78.1	Confident	35 Å²	35	47 Å²	47	36%	0.361	25%	0.252	S	S	.	.			trans	-74.6	163	172.1	0	0	0	0	0	113.5	E652 Q653 Q654	G650-E652 PolarHBondContact O-N 3.38Å; G650-Q653 WeakPolarHBondContact O-CB 3.35Å; G650-Q653 PolarHBondContact O-N 3.13Å; G650-Q653 VanDerWaalsContact O-N 3.11Å; G650-Q654 WeakPolarHBondContact O-CG 3.33Å; G650-Q654 PolarHBondContact O-N 3.36Å
651	Q	72.5	Confident	77.8	Confident	158 Å²	158	47.1 Å²	47.1	74%	0.738	25%	0.252	S	S	*	.	H	α-helix	trans	-57.1	-44.7	-174.5	-177.9	175.4	-10.5	0	0	113.1	Q653 Q654 C655	Q651-Q653 VanDerWaalsContact C-N 3.29Å; Q651-Q653 PolarHBondContact O-N 3.08Å; Q651-Q654 WeakPolarHBondContact O-CB 3.34Å; Q651-Q654 PolarHBondContact O-N 3.44Å; Q651-Q654 VanDerWaalsContact O-N 3.13Å; Q651-C655 PolarHBondContact O-N 3.43Å; Q651-C655 PolarHBondContact O-SG 2.9Å
652	E	68.8	Low	77.5	Confident	118 Å²	118	49.4 Å²	49.4	55%	0.551	26%	0.262	S	S	*	.	H	α-helix	trans	-60.2	-39.8	178.2	-159.6	-139.3	146	0	0	112.1	G650 Q654 C655 R656	G650-E652 PolarHBondContact O-N 3.38Å; E652-Q654 VanDerWaalsContact C-N 3.34Å; E652-Q654 PolarHBondContact O-N 3.05Å; E652-C655 WeakPolarHBondContact O-CB 3.47Å; E652-C655 PolarHBondContact O-N 3.36Å; E652-R656 WeakPolarHBondContact O-CG 3.25Å; E652-R656 PolarHBondContact O-N 3Å; E652-R656 IonicContact OE1-CZ 2.93Å; E652-R656 IonicContact OE1-NE 2.65Å; E652-R656 PolarHBondContact OE1-NE 2.74Å; E652-R656 IonicContact OE1-NH2 3.55Å; E652-R656 PolarHBondContact OE1-NH2 2.93Å; E652-R656 IonicContact OE2-NH2 3.13Å
653	Q	66.6	Low	77.1	Confident	41 Å²	41	54.3 Å²	54.3	19%	0.192	29%	0.285	C	S	.	.	H	α-helix	trans	-71.2	-30.5	178.5	-58.6	160.5	-10.4	0	0	111.6	Y567 L649 G650 Q651 R656 L657	Y567-Q653 HydrophobicContact CE2-CB 4.33Å; Y567-Q653 HydrophobicContact CE2-CG 3.88Å; Y567-Q653 PolarHBondContact OH-NE2 3.14Å; L649-Q653 HydrophobicContact CD2-CB 3.38Å; L649-Q653 HydrophobicContact CD2-CG 4.38Å; G650-Q653 WeakPolarHBondContact O-CB 3.35Å; G650-Q653 PolarHBondContact O-N 3.13Å; G650-Q653 VanDerWaalsContact O-N 3.11Å; Q651-Q653 VanDerWaalsContact C-N 3.29Å; Q651-Q653 PolarHBondContact O-N 3.08Å; Q653-R656 PolarHBondContact O-N 3.4Å; Q653-L657 WeakPolarHBondContact O-CB 3.27Å; Q653-L657 PolarHBondContact O-N 2.86Å
654	Q	73.2	Confident	77	Confident	64 Å²	64	54.9 Å²	54.9	30%	0.299	29%	0.286	S	S	.	.	H	α-helix	trans	-67.3	-36.9	170.5	-64.2	170.5	40	0	0	111.4	L649 G650 Q651 E652 L657 A658	L649-Q654 HydrophobicContact CB-CG 4.24Å; L649-Q654 PolarHBondContact O-NE2 3.02Å; G650-Q654 WeakPolarHBondContact O-CG 3.33Å; G650-Q654 PolarHBondContact O-N 3.36Å; Q651-Q654 WeakPolarHBondContact O-CB 3.34Å; Q651-Q654 PolarHBondContact O-N 3.44Å; Q651-Q654 VanDerWaalsContact O-N 3.13Å; E652-Q654 VanDerWaalsContact C-N 3.34Å; E652-Q654 PolarHBondContact O-N 3.05Å; Q654-L657 PolarHBondContact O-N 2.81Å; Q654-A658 PolarHBondContact O-N 3.48Å
655	C	74.4	Confident	76.9	Confident	70 Å²	70	55 Å²	55	47%	0.473	29%	0.287	S	S	.	.	H	α-helix	trans	-64.9	-44.1	170.7	-62.9	0	0	0	0	111.9	Q651 E652 L657 A658 N659	Q651-C655 PolarHBondContact O-N 3.43Å; Q651-C655 PolarHBondContact O-SG 2.9Å; E652-C655 WeakPolarHBondContact O-CB 3.47Å; E652-C655 PolarHBondContact O-N 3.36Å; C655-L657 VanDerWaalsContact C-N 3.32Å; C655-L657 PolarHBondContact O-N 3.45Å; C655-A658 PolarHBondContact O-N 3.34Å; C655-N659 PolarHBondContact O-N 2.85Å
656	R	73	Confident	76.7	Confident	98 Å²	98	55.1 Å²	55.1	37%	0.37	29%	0.292	S	S	.	.	H	α-helix	trans	-59	-41.7	173.8	-65.9	178.5	-172.7	-168.6	3.5	111.8	N580 E652 Q653 N659 L660	N580-R656 VanDerWaalsContact CB-NH1 3.33Å; N580-R656 PolarHBondContact ND2-NH1 3.09Å; E652-R656 WeakPolarHBondContact O-CG 3.25Å; E652-R656 PolarHBondContact O-N 3Å; E652-R656 IonicContact OE1-CZ 2.93Å; E652-R656 IonicContact OE1-NE 2.65Å; E652-R656 PolarHBondContact OE1-NE 2.74Å; E652-R656 IonicContact OE1-NH2 3.55Å; E652-R656 PolarHBondContact OE1-NH2 2.93Å; E652-R656 IonicContact OE2-NH2 3.13Å; Q653-R656 PolarHBondContact O-N 3.4Å; R656-N659 PolarHBondContact O-N 3.22Å; R656-L660 WeakPolarHBondContact O-CG 3.37Å; R656-L660 PolarHBondContact O-N 3.16Å
657	L	80.9	Confident	76.7	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.016	32%	0.317	C	S	.	.	H	α-helix	trans	-62.7	-42.8	174.1	171.1	62	0	0	0	112.6	L582 F621 L646 Q653 Q654 C655 N659 L660 L661	L582-L657 HydrophobicContact CD1-CB 4.22Å; L582-L657 HydrophobicContact CD1-CD1 3.92Å; L582-L657 HydrophobicContact CD1-CD2 4.47Å; L582-L657 HydrophobicContact CD1-CG 4.42Å; F621-L657 HydrophobicContact CD1-CD1 4.04Å; F621-L657 HydrophobicContact CE1-CD1 3.33Å; F621-L657 HydrophobicContact CZ-CD1 3.81Å; L646-L657 HydrophobicContact CD1-CD2 3.63Å; L646-L657 HydrophobicContact CD2-CD2 3.58Å; L646-L657 HydrophobicContact CG-CD2 4.26Å; Q653-L657 WeakPolarHBondContact O-CB 3.27Å; Q653-L657 PolarHBondContact O-N 2.86Å; Q654-L657 PolarHBondContact O-N 2.81Å; C655-L657 VanDerWaalsContact C-N 3.32Å; C655-L657 PolarHBondContact O-N 3.45Å; L657-N659 VanDerWaalsContact C-N 3.32Å; L657-N659 PolarHBondContact O-N 3.06Å; L657-L660 PolarHBondContact O-N 2.76Å; L657-L661 HydrophobicContact CD1-CD1 3.92Å; L657-L661 HydrophobicContact CD1-CG 4.16Å; L657-L661 HydrophobicContact CG-CD1 4.02Å; L657-L661 WeakPolarHBondContact O-CG 3.46Å; L657-L661 PolarHBondContact O-N 2.94Å
658	A	81.2	Confident	77.3	Confident	25 Å²	25	58.7 Å²	58.7	21%	0.207	31%	0.31	C	S	.	.	H	α-helix	trans	-61.7	-41.5	176.6	0	0	0	0	0	111.6	Q654 C655 L661 Q662	Q654-A658 PolarHBondContact O-N 3.48Å; C655-A658 PolarHBondContact O-N 3.34Å; A658-L661 PolarHBondContact O-N 2.81Å; A658-Q662 WeakPolarHBondContact O-CB 3.23Å; A658-Q662 PolarHBondContact O-N 2.84Å
659	N	82	Confident	78.4	Confident	115 Å²	115	57.4 Å²	57.4	62%	0.615	29%	0.293	S	S	*	.	H	α-helix	trans	-63.3	-45.1	175.7	-68.5	-5.5	0	0	0	111.9	C655 R656 L657 L661 Q662 E663	C655-N659 PolarHBondContact O-N 2.85Å; R656-N659 PolarHBondContact O-N 3.22Å; L657-N659 VanDerWaalsContact C-N 3.32Å; L657-N659 PolarHBondContact O-N 3.06Å; N659-L661 PolarHBondContact O-N 3.09Å; N659-Q662 PolarHBondContact O-N 3.34Å; N659-E663 WeakPolarHBondContact O-CB 3.49Å; N659-E663 PolarHBondContact O-N 3.32Å
660	L	82.7	Confident	79.1	Confident	53 Å²	53	59 Å²	59	28%	0.277	30%	0.301	S	S	.	.	H	α-helix	trans	-60.6	-42.1	175.5	-73.7	168.2	0	0	0	112.4	L625 R656 L657 Q662 E663 Y664	L625-L660 HydrophobicContact CD1-CB 4.15Å; R656-L660 WeakPolarHBondContact O-CG 3.37Å; R656-L660 PolarHBondContact O-N 3.16Å; L657-L660 PolarHBondContact O-N 2.76Å; L660-Q662 VanDerWaalsContact C-N 3.34Å; L660-Q662 PolarHBondContact O-N 3.27Å; L660-E663 PolarHBondContact O-N 2.81Å; L660-Y664 HydrophobicContact CD2-CE2 4.4Å; L660-Y664 WeakPolarHBondContact O-CD2 3.34Å; L660-Y664 PolarHBondContact O-N 3.04Å; L660-Y664 VanDerWaalsContact O-N 3.16Å
661	L	85.7	Confident	79.5	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-40.3	175.8	-75.9	165	0	0	0	111.8	F621 L625 L642 I644 L657 A658 N659 L665 I669 L716	F621-L661 HydrophobicContact CE1-CD2 4.4Å; F621-L661 HydrophobicContact CZ-CD2 4.18Å; L625-L661 HydrophobicContact CD2-CD2 3.78Å; L642-L661 HydrophobicContact CD2-CD2 4.28Å; I644-L661 HydrophobicContact CD1-CD1 4.07Å; I644-L661 HydrophobicContact CD1-CD2 4.12Å; L657-L661 HydrophobicContact CD1-CD1 3.92Å; L657-L661 HydrophobicContact CD1-CG 4.16Å; L657-L661 HydrophobicContact CG-CD1 4.02Å; L657-L661 WeakPolarHBondContact O-CG 3.46Å; L657-L661 PolarHBondContact O-N 2.94Å; A658-L661 PolarHBondContact O-N 2.81Å; N659-L661 PolarHBondContact O-N 3.09Å; L661-L665 HydrophobicContact CD2-CD1 4.29Å; L661-L665 WeakPolarHBondContact O-CB 3.39Å; L661-L665 PolarHBondContact O-N 3.41Å; L661-I669 HydrophobicContact CB-CD1 4.14Å; L661-I669 WeakPolarHBondContact O-CD1 3.41Å; L661-L716 HydrophobicContact CD1-CD1 4.42Å; L661-L716 HydrophobicContact CD1-CD2 4.07Å
662	Q	84.6	Confident	79.7	Confident	82 Å²	82	55.7 Å²	55.7	38%	0.383	29%	0.288	S	S	.	.	H	α-helix	trans	-69.5	-38.1	177.1	-171.9	60.9	26.9	0	0	112.4	A658 N659 L660 G666	A658-Q662 WeakPolarHBondContact O-CB 3.23Å; A658-Q662 PolarHBondContact O-N 2.84Å; N659-Q662 PolarHBondContact O-N 3.34Å; L660-Q662 VanDerWaalsContact C-N 3.34Å; L660-Q662 PolarHBondContact O-N 3.27Å; Q662-G666 WeakPolarHBondContact O-CA 2.85Å; Q662-G666 PolarHBondContact O-N 3.25Å
663	E	84	Confident	80.1	Confident	103 Å²	103	52.8 Å²	52.8	48%	0.481	28%	0.28	S	S	.	.	H	α-helix	trans	-64.4	-43.5	178.6	-178.1	-172.4	-173.1	0	0	112.5	N659 L660	N659-E663 WeakPolarHBondContact O-CB 3.49Å; N659-E663 PolarHBondContact O-N 3.32Å; L660-E663 PolarHBondContact O-N 2.81Å
664	Y	84.5	Confident	80.8	Confident	42 Å²	42	53.4 Å²	53.4	17%	0.165	28%	0.284	C	S	.	.	H	α-helix	trans	-90	-30.5	-174.1	-77.4	-106.4	0	0	0	113.7	K622 L625 Q626 N629 L660	K622-Y664 WeakPolarHBondContact CE-OH 3.25Å; K622-Y664 HydrophobicContact CG-CE1 4.47Å; K622-Y664 HydrophobicContact CG-CE2 4.48Å; K622-Y664 WeakPolarHBondContact CG-OH 3.35Å; L625-Y664 HydrophobicContact CB-CD1 3.67Å; L625-Y664 HydrophobicContact CB-CD2 4.44Å; L625-Y664 HydrophobicContact CB-CE1 4.45Å; L625-Y664 HydrophobicContact CB-CG 3.68Å; L625-Y664 HydrophobicContact CD1-CD2 4.13Å; L625-Y664 HydrophobicContact CD1-CG 4.09Å; Q626-Y664 HydrophobicContact CB-CE1 4.26Å; N629-Y664 VanDerWaalsContact CG-O 3.28Å; L660-Y664 HydrophobicContact CD2-CE2 4.4Å; L660-Y664 WeakPolarHBondContact O-CD2 3.34Å; L660-Y664 PolarHBondContact O-N 3.04Å; L660-Y664 VanDerWaalsContact O-N 3.16Å
665	L	86.4	Confident	80.8	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-128.4	4.8	-169.9	-56.6	174.5	0	0	0	114	L625 L628 N629 L642 L661 Q667 W668 I669 I714	L625-L665 HydrophobicContact CD2-CD1 3.98Å; L628-L665 HydrophobicContact CB-CD2 4.26Å; N629-L665 HydrophobicContact CB-CD2 4.13Å; L642-L665 HydrophobicContact CD2-CD1 4.22Å; L661-L665 HydrophobicContact CD2-CD1 4.29Å; L661-L665 WeakPolarHBondContact O-CB 3.39Å; L661-L665 PolarHBondContact O-N 3.41Å; L665-Q667 VanDerWaalsContact C-N 3.31Å; L665-Q667 PolarHBondContact O-N 2.87Å; L665-Q667 VanDerWaalsContact O-N 3.09Å; L665-W668 HydrophobicContact CD2-CE3 4.2Å; L665-W668 WeakPolarHBondContact O-CB 3.09Å; L665-W668 PolarHBondContact O-N 3.38Å; L665-I669 HydrophobicContact CB-CD1 3.79Å; L665-I669 HydrophobicContact CB-CG1 3.93Å; L665-I669 PolarHBondContact O-N 3.31Å; L665-I714 HydrophobicContact CB-CD1 4.28Å; L665-I714 HydrophobicContact CD1-CD1 4.13Å; L665-I714 HydrophobicContact CD2-CD1 4.04Å; L665-I714 HydrophobicContact CG-CD1 4.39Å
666	G	78.5	Confident	80.7	Confident	20 Å²	20	57.8 Å²	57.8	21%	0.206	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.5	-164.8	0	0	0	0	0	117.5	Q662 W668	Q662-G666 WeakPolarHBondContact O-CA 2.85Å; Q662-G666 PolarHBondContact O-N 3.25Å; G666-W668 VanDerWaalsContact C-N 3.3Å
667	Q	80.5	Confident	80.5	Confident	119 Å²	119	56.4 Å²	56.4	56%	0.556	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-24.2	174.3	-166.6	-177.7	16.2	0	0	112.5	L665 K713	L665-Q667 VanDerWaalsContact C-N 3.31Å; L665-Q667 PolarHBondContact O-N 2.87Å; L665-Q667 VanDerWaalsContact O-N 3.09Å; Q667-K713 PolarHBondContact O-NZ 3Å
668	W	85.3	Confident	79.5	Confident	29 Å²	29	58.1 Å²	58.1	11%	0.11	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-33.4	-173.1	-60.6	-17.3	0	0	0	112.3	N629 I632 F633 L665 G666 I670 K713 I714	N629-W668 WeakPolarHBondContact O-CH2 3.49Å; I632-W668 HydrophobicContact CB-CZ3 4.24Å; F633-W668 AromaticContact CD2-CD2 3.88Å; F633-W668 HydrophobicContact CD2-CD2 3.88Å; F633-W668 AromaticContact CD2-CE2 3.85Å; F633-W668 AromaticContact CD2-CE3 3.95Å; F633-W668 HydrophobicContact CD2-CE3 3.95Å; F633-W668 HydrophobicContact CD2-CG 4.47Å; F633-W668 AromaticContact CD2-CH2 3.88Å; F633-W668 HydrophobicContact CD2-CH2 3.88Å; F633-W668 AromaticContact CD2-CZ2 3.87Å; F633-W668 HydrophobicContact CD2-CZ2 3.87Å; F633-W668 AromaticContact CD2-CZ3 3.93Å; F633-W668 HydrophobicContact CD2-CZ3 3.93Å; F633-W668 HydrophobicContact CE2-CB 4.18Å; F633-W668 AromaticContact CE2-CD2 3.59Å; F633-W668 HydrophobicContact CE2-CD2 3.59Å; F633-W668 AromaticContact CE2-CE3 3.67Å; F633-W668 HydrophobicContact CE2-CE3 3.67Å; F633-W668 AromaticContact CE2-CG 3.86Å; F633-W668 HydrophobicContact CE2-CG 3.86Å; F633-W668 HydrophobicContact CE2-CH2 4.45Å; F633-W668 HydrophobicContact CE2-CZ2 4.45Å; F633-W668 HydrophobicContact CE2-CZ3 4.09Å; L665-W668 HydrophobicContact CD2-CE3 4.2Å; L665-W668 WeakPolarHBondContact O-CB 3.09Å; L665-W668 PolarHBondContact O-N 3.38Å; G666-W668 VanDerWaalsContact C-N 3.3Å; W668-I670 PolarHBondContact O-N 2.83Å; W668-K713 CarbonylContact O-C 3.57Å; W668-K713 VanDerWaalsContact O-CA 3.32Å; W668-K713 WeakPolarHBondContact O-CA 3.11Å; W668-K713 VanDerWaalsContact O-CD 3.26Å; W668-K713 WeakPolarHBondContact O-CD 3.41Å; W668-I714 HydrophobicContact CB-CD1 3.88Å; W668-I714 HydrophobicContact CB-CG1 3.99Å; W668-I714 HydrophobicContact CE3-CD1 3.9Å; W668-I714 PolarHBondContact O-N 2.95Å
669	I	86.5	Confident	78.2	Confident	11 Å²	11	60.6 Å²	60.6	6%	0.056	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-61.1	133.6	175.7	-67.8	174.4	0	0	0	110.8	L661 L665 V671 I714	L661-I669 HydrophobicContact CB-CD1 4.14Å; L661-I669 WeakPolarHBondContact O-CD1 3.41Å; L665-I669 HydrophobicContact CB-CD1 3.79Å; L665-I669 HydrophobicContact CB-CG1 3.93Å; L665-I669 PolarHBondContact O-N 3.31Å; I669-V671 HydrophobicContact CG2-CG2 4.04Å; I669-V671 PolarHBondContact O-N 3.47Å; I669-I714 HydrophobicContact CG1-CB 4.35Å; I669-I714 HydrophobicContact CG1-CG2 4.35Å
670	I	82	Confident	76.1	Confident	47 Å²	47	61.8 Å²	61.8	24%	0.241	34%	0.339	C	S	.	.			trans	-84.6	101.4	167.9	-63.5	179.5	0	0	0	108.7	W668 S672 L710 K713 I714 L715	W668-I670 PolarHBondContact O-N 2.83Å; I670-S672 WeakPolarHBondContact CG2-O 3.25Å; I670-L710 HydrophobicContact CD1-CD2 3.45Å; I670-L710 VanDerWaalsContact CD1-CD2 3.45Å; I670-K713 HydrophobicContact CD1-CB 3.71Å; I670-K713 HydrophobicContact CD1-CG 3.99Å; I670-K713 HydrophobicContact CG1-CB 3.83Å; I670-K713 HydrophobicContact CG1-CD 3.99Å; I670-K713 HydrophobicContact CG1-CG 4Å; I670-I714 PolarHBondContact N-O 3.48Å; I670-I714 VanDerWaalsContact N-O 3.15Å; I670-L715 HydrophobicContact CD1-CD2 4.01Å
671	V	75.9	Confident	74.3	Confident	38 Å²	38	65.8 Å²	65.8	23%	0.23	36%	0.36	C	S	.	.			trans	-81.4	-35.6	176	178.4	0	0	0	0	112	I669 L759	I669-V671 HydrophobicContact CG2-CG2 4.04Å; I669-V671 PolarHBondContact O-N 3.47Å; V671-L759 HydrophobicContact CG1-CB 4.45Å; V671-L759 HydrophobicContact CG1-CD2 4.22Å; V671-L759 HydrophobicContact CG1-CG 3.87Å; V671-L759 HydrophobicContact CG2-CD2 4.47Å; V671-L759 HydrophobicContact CG2-CG 4.09Å
672	S	76.1	Confident	71.8	Confident	86 Å²	86	73.9 Å²	73.9	60%	0.601	40%	0.403	S	S	*	.	S	Bend	trans	-119.9	140	179.2	55.5	0	0	0	0	111.2	I670	I670-S672 WeakPolarHBondContact CG2-O 3.25Å
673	P	78.2	Confident	69.3	Low	58 Å²	58	72.5 Å²	72.5	38%	0.377	41%	0.411	S	S	.	.			trans	-62.2	143.1	176	25.2	-32.8	0	0	0	111.2	T678	P673-T678 HydrophobicContact CG-CG2 4.3Å
674	L	81.5	Confident	66.8	Low	53 Å²	53	74.9 Å²	74.9	28%	0.277	43%	0.427	S	S	.	.			trans	-53.9	143.8	178.5	-65.8	175.6	0	0	0	111.2	N676 Y677 T678 P705 M709 L710	L674-N676 VanDerWaalsContact C-N 3.27Å; L674-N676 PolarHBondContact O-N 2.79Å; L674-Y677 HydrophobicContact CB-CD2 3.99Å; L674-Y677 HydrophobicContact CD1-CD2 4.44Å; L674-Y677 CarbonylContact O-C 3.53Å; L674-Y677 WeakPolarHBondContact O-CA 3.16Å; L674-Y677 PolarHBondContact O-N 3.47Å; L674-T678 PolarHBondContact O-N 3.06Å; L674-T678 VanDerWaalsContact O-N 3.14Å; L674-P705 HydrophobicContact CD1-CB 4.11Å; L674-P705 HydrophobicContact CD1-CG 4.04Å; L674-M709 HydrophobicContact CD1-CB 4.3Å; L674-L710 HydrophobicContact CD1-CD2 4.02Å
675	P	72.8	Confident	64.3	Low	103 Å²	103	80.9 Å²	80.9	67%	0.669	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-51.5	-37.4	-172.2	-31.5	36.3	0	0	0	115.7	Y677 T678	P675-Y677 PolarHBondContact O-N 3.42Å; P675-T678 PolarHBondContact O-OG1 2.73Å
676	N	71.4	Confident	61.9	Low	123 Å²	123	90.1 Å²	90.1	66%	0.658	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-75.3	-10.8	180	-61.2	-5.2	0	0	0	113.4	L674	L674-N676 VanDerWaalsContact C-N 3.27Å; L674-N676 PolarHBondContact O-N 2.79Å
677	Y	70.8	Confident	59.7	Low	70 Å²	70	97.3 Å²	97.3	28%	0.275	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-122	4.9	-173.1	-62.7	-90.4	0	0	0	113	L674 P675 H703 P705 M709	L674-Y677 HydrophobicContact CB-CD2 3.99Å; L674-Y677 HydrophobicContact CD1-CD2 4.44Å; L674-Y677 CarbonylContact O-C 3.53Å; L674-Y677 WeakPolarHBondContact O-CA 3.16Å; L674-Y677 PolarHBondContact O-N 3.47Å; P675-Y677 PolarHBondContact O-N 3.42Å; Y677-H703 WeakPolarHBondContact CD1-O 3.41Å; Y677-H703 WeakPolarHBondContact CE1-O 3.49Å; Y677-P705 HydrophobicContact CD1-CG 3.92Å; Y677-P705 HydrophobicContact CD2-CB 4.41Å; Y677-P705 HydrophobicContact CD2-CG 3.87Å; Y677-P705 HydrophobicContact CE1-CB 4.33Å; Y677-P705 HydrophobicContact CE1-CG 4.03Å; Y677-P705 HydrophobicContact CE2-CB 4.03Å; Y677-P705 HydrophobicContact CE2-CG 3.98Å; Y677-P705 HydrophobicContact CG-CG 3.84Å; Y677-M709 HydrophobicContact CE2-CE 3.86Å; Y677-M709 HydrophobicContact CE2-SD 3.85Å; Y677-M709 PolarHBondContact OH-SD 3.39Å
678	T	59.8	Low	57.3	Low	38 Å²	38	100.2 Å²	100.2	23%	0.233	55%	0.548	C	S	.	.			trans	-57.8	145.2	172.7	55.7	0	0	0	0	111	P673 L674 P675 N680 R702	P673-T678 HydrophobicContact CG-CG2 4.3Å; L674-T678 PolarHBondContact O-N 3.06Å; L674-T678 VanDerWaalsContact O-N 3.14Å; P675-T678 PolarHBondContact O-OG1 2.73Å; T678-N680 PolarHBondContact OG1-OD1 2.75Å; T678-R702 PolarHBondContact O-NH1 2.7Å
679	S	52.2	Low	54.8	Low	78 Å²	78	108 Å²	108	55%	0.545	58%	0.583	S	S	.	*			trans	-83.1	112.9	156.2	39.6	0	0	0	0	107.9	L681	S679-L681 PolarHBondContact O-N 2.92Å
680	N	39.3	Very low	52.2	Low	139 Å²	139	115.8 Å²	115.8	74%	0.743	62%	0.619	S	S	*	*			trans	-72.7	75.7	171.1	-76.4	11.8	0	0	0	109.4	T678	T678-N680 PolarHBondContact OG1-OD1 2.75Å
681	L	44.2	Very low	50	Low	137 Å²	137	120 Å²	120	72%	0.717	64%	0.641	S	S	*	*			trans	-89.2	-17.5	173	-76	163.9	0	0	0	112.4	S679 G683	S679-L681 PolarHBondContact O-N 2.92Å; L681-G683 PolarHBondContact O-N 3.47Å
682	N	34	Very low	47.9	Very low	173 Å²	173	124.6 Å²	124.6	93%	0.925	66%	0.664	S	S	*	*	S	Bend	trans	-97.3	76.4	177.7	-70.1	0.1	0	0	0	110.7
683	G	31.2	Very low	45.7	Very low	53 Å²	53	126.2 Å²	126.2	55%	0.546	68%	0.675	S	S	.	*	S	Bend	trans	-170.6	127.9	172.9	0	0	0	0	0	112.3	L681	L681-G683 PolarHBondContact O-N 3.47Å
684	N	32.9	Very low	43.6	Very low	153 Å²	153	129.2 Å²	129.2	82%	0.818	69%	0.693	S	S	*	*			trans	78.4	34.1	170.8	-53.6	-7.7	0	0	0	118.9	K686	N684-K686 PolarHBondContact O-N 3.47Å
685	N	32	Very low	41.4	Very low	168 Å²	168	137.7 Å²	137.7	90%	0.898	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	59.2	158.1	-75.6	9.1	0	0	0	111.5
686	K	35.2	Very low	39.6	Very low	197 Å²	197	140.2 Å²	140.2	86%	0.857	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-155	11.5	177.2	-133.1	177.7	-176.2	-178.3	0	116.3	N684	N684-K686 PolarHBondContact O-N 3.47Å
687	L	31.2	Very low	37.8	Very low	171 Å²	171	140.1 Å²	140.1	90%	0.895	72%	0.723	S	S	*	*			trans	-122.3	80.5	163.7	-97.6	87.9	0	0	0	109.6
688	E	30.8	Very low	36.3	Very low	180 Å²	180	140.4 Å²	140.4	84%	0.841	73%	0.733	S	S	*	*			trans	-95.1	153.7	152.7	-69.6	-168.2	147.9	0	0	108.7
689	K	32.9	Very low	35.3	Very low	193 Å²	193	145 Å²	145	84%	0.839	76%	0.756	S	S	*	*			trans	66.5	83.3	-176.6	-48.8	171	-173.4	174.1	0	113.7
690	E	32.8	Very low	35	Very low	174 Å²	174	151.3 Å²	151.3	81%	0.813	77%	0.769	S	S	*	*				-178.3	147.3	104.2	-99.3	171.9	-164.8	0	0	113.8
691	I	35.3	Very low	35.5	Very low	136 Å²	136	148.2 Å²	148.2	70%	0.697	76%	0.759	S	S	*	*			trans	65	112	150.2	-61.5	164	0	0	0	119.5
692	N	32.3	Very low	36.3	Very low	134 Å²	134	148.7 Å²	148.7	72%	0.717	75%	0.751	S	S	*	*			trans	59.1	94	145.5	-60.5	-8.2	0	0	0	121.9	T694	N692-T694 PolarHBondContact O-N 2.87Å
693	S	29.9	Very low	38	Very low	119 Å²	119	145.7 Å²	145.7	83%	0.832	73%	0.731	S	S	*	*				44.7	66.8	120.7	69.7	0	0	0	0	119.2
694	T	33.2	Very low	40.5	Very low	122 Å²	122	147.8 Å²	147.8	75%	0.748	73%	0.729	S	S	*	*			trans	-134.6	126.3	152.5	-55	0	0	0	0	110.3	N692 I696	N692-T694 PolarHBondContact O-N 2.87Å; T694-I696 PolarHBondContact O-N 3.23Å
695	Y	34.5	Very low	43	Very low	231 Å²	231	141.2 Å²	141.2	91%	0.906	70%	0.695	S	S	*	*			trans	-69.9	92.1	174.8	-98.3	-101	0	0	0	110.3	K697	Y695-K697 PolarHBondContact O-N 3.04Å
696	I	35	Very low	45.5	Very low	155 Å²	155	133.5 Å²	133.5	80%	0.795	65%	0.654	S	S	*	*			trans	-67.1	100.3	167.7	-58	178.1	0	0	0	107.5	T694	T694-I696 PolarHBondContact O-N 3.23Å
697	K	34.2	Very low	48	Very low	122 Å²	122	124.8 Å²	124.8	53%	0.53	62%	0.618	S	S	.	*			trans	-59.2	128.5	171.1	-72.5	171.9	177.8	170.1	0	108.8	Y695 D1040	Y695-K697 PolarHBondContact O-N 3.04Å; K697-D1040 IonicContact NZ-OD2 3.7Å; K697-D1040 PolarHBondContact NZ-OD2 3.27Å
698	P	39	Very low	50.5	Low	76 Å²	76	120.1 Å²	120.1	49%	0.494	59%	0.591	S	S	.	*			trans	-55.2	144.8	166.7	-21.1	31.5	0	0	0	109.6	Y700	P698-Y700 HydrophobicContact CB-CD2 3.99Å; P698-Y700 HydrophobicContact CB-CE1 4.32Å; P698-Y700 HydrophobicContact CB-CE2 3.6Å; P698-Y700 HydrophobicContact CG-CD2 4.49Å; P698-Y700 HydrophobicContact CG-CE2 3.72Å; P698-Y700 WeakPolarHBondContact O-CD2 3.13Å; P698-Y700 PolarHBondContact O-N 2.88Å
699	N	38.4	Very low	53	Low	134 Å²	134	115.5 Å²	115.5	72%	0.717	57%	0.571	S	S	*	*			trans	-82.1	61.3	-166.3	-145.7	-16.5	0	0	0	111.8	S701	N699-S701 PolarHBondContact O-N 3.02Å; N699-S701 PolarHBondContact OD1-OG 3Å
700	Y	47.8	Very low	55.5	Low	210 Å²	210	106.6 Å²	106.6	82%	0.824	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	21.6	-177.6	-65.5	-64.2	0	0	0	114.8	P698	P698-Y700 HydrophobicContact CB-CD2 3.99Å; P698-Y700 HydrophobicContact CB-CE1 4.32Å; P698-Y700 HydrophobicContact CB-CE2 3.6Å; P698-Y700 HydrophobicContact CG-CD2 4.49Å; P698-Y700 HydrophobicContact CG-CE2 3.72Å; P698-Y700 WeakPolarHBondContact O-CD2 3.13Å; P698-Y700 PolarHBondContact O-N 2.88Å
701	S	48.7	Very low	58.1	Low	75 Å²	75	101.7 Å²	101.7	52%	0.524	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-11.8	-174.7	59.2	0	0	0	0	113.9	N699 H703	N699-S701 PolarHBondContact O-N 3.02Å; N699-S701 PolarHBondContact OD1-OG 3Å; S701-H703 PolarHBondContact O-N 2.72Å
702	R	60.5	Low	60.7	Low	147 Å²	147	98.2 Å²	98.2	56%	0.555	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-70.4	119.1	177.4	-68.5	-173	175.9	-167.7	-9.2	110.4	T678	T678-R702 PolarHBondContact O-NH1 2.7Å
703	H	70.8	Confident	63.5	Low	109 Å²	109	95.2 Å²	95.2	51%	0.505	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-69.6	167.7	173.6	-63.1	-84	0	0	0	111.7	P492 Y677 S701	P492-H703 HydrophobicContact CB-CB 4.05Å; P492-H703 HydrophobicContact CG-CB 3.53Å; Y677-H703 WeakPolarHBondContact CD1-O 3.41Å; Y677-H703 WeakPolarHBondContact CE1-O 3.49Å; S701-H703 PolarHBondContact O-N 2.72Å
704	L	82.5	Confident	66.4	Low	97 Å²	97	89.6 Å²	89.6	51%	0.508	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-65.8	154.8	165.4	-68.5	176.2	0	0	0	111	P492 L493 A494	P492-L704 WeakPolarHBondContact CA-O 3.23Å; P492-L704 HydrophobicContact CB-CB 4.39Å; P492-L704 WeakPolarHBondContact CB-O 3.37Å; L493-L704 HydrophobicContact CB-CB 4.31Å; L493-L704 HydrophobicContact CB-CD1 4.34Å; A494-L704 HydrophobicContact CB-CD1 4.18Å
705	P	85.5	Confident	69.1	Low	16 Å²	16	86.1 Å²	86.1	10%	0.104	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-58.9	160.4	168.5	-19.1	30.9	0	0	0	112.3	L493 L674 Y677 M709 L710	L493-P705 WeakPolarHBondContact CB-O 3.31Å; L493-P705 PolarHBondContact N-O 3.19Å; L674-P705 HydrophobicContact CD1-CB 4.11Å; L674-P705 HydrophobicContact CD1-CG 4.04Å; Y677-P705 HydrophobicContact CD1-CG 3.92Å; Y677-P705 HydrophobicContact CD2-CB 4.41Å; Y677-P705 HydrophobicContact CD2-CG 3.87Å; Y677-P705 HydrophobicContact CE1-CB 4.33Å; Y677-P705 HydrophobicContact CE1-CG 4.03Å; Y677-P705 HydrophobicContact CE2-CB 4.03Å; Y677-P705 HydrophobicContact CE2-CG 3.98Å; Y677-P705 HydrophobicContact CG-CG 3.84Å; P705-M709 HydrophobicContact CB-CB 4.07Å; P705-L710 HydrophobicContact CB-CD1 3.98Å; P705-L710 HydrophobicContact CB-CD2 4.11Å; P705-L710 HydrophobicContact CB-CG 3.91Å; P705-L710 HydrophobicContact CG-CD1 4.43Å; P705-L710 HydrophobicContact CG-CD2 4.23Å; P705-L710 HydrophobicContact CG-CG 4.49Å
706	S	86	Confident	71.6	Confident	6 Å²	6	77.8 Å²	77.8	4%	0.042	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-76.8	162.4	172.1	81.5	0	0	0	0	111.8	S489 H491 E708 M709 L710	S489-S706 WeakPolarHBondContact O-CB 3.43Å; S489-S706 PolarHBondContact O-OG 2.89Å; H491-S706 WeakPolarHBondContact O-CA 3.32Å; H491-S706 WeakPolarHBondContact O-CB 3.43Å; S706-E708 PolarHBondContact O-N 3.05Å; S706-E708 PolarHBondContact OG-N 3.16Å; S706-M709 PolarHBondContact O-N 3.33Å; S706-M709 PolarHBondContact OG-N 3.04Å; S706-L710 WeakPolarHBondContact O-CG 3.4Å; S706-L710 PolarHBondContact O-N 2.82Å
707	P	87	Confident	74.1	Confident	13 Å²	13	72.5 Å²	72.5	8%	0.084	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-34.5	173.6	-24.9	34.5	0	0	0	113.3	L493 Y496 P639 L710 K711	L493-P707 HydrophobicContact CD1-CG 4.03Å; Y496-P707 HydrophobicContact CD1-CG 4.32Å; Y496-P707 HydrophobicContact CD2-CG 3.58Å; Y496-P707 HydrophobicContact CE1-CG 4.2Å; Y496-P707 HydrophobicContact CE2-CG 3.42Å; Y496-P707 VanDerWaalsContact CE2-CG 3.42Å; Y496-P707 HydrophobicContact CG-CG 4.04Å; P639-P707 VanDerWaalsContact CD-O 3.24Å; P639-P707 WeakPolarHBondContact CD-O 3.49Å; P639-P707 HydrophobicContact CG-CB 4.28Å; P707-L710 CarbonylContact O-C 3.56Å; P707-L710 PolarHBondContact O-N 3.5Å; P707-L710 VanDerWaalsContact O-N 3.17Å; P707-K711 PolarHBondContact O-N 2.82Å
708	E	83.2	Confident	76.4	Confident	73 Å²	73	68.8 Å²	68.8	34%	0.341	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-73	-31.4	179.7	-163.1	62.6	-167.7	0	0	112.3	S706 L710 K711	S706-E708 PolarHBondContact O-N 3.05Å; S706-E708 PolarHBondContact OG-N 3.16Å; E708-L710 PolarHBondContact O-N 2.84Å; E708-K711 WeakPolarHBondContact O-CB 3.32Å; E708-K711 PolarHBondContact O-N 2.77Å; E708-K711 WeakPolarHBondContact OE1-CD 3.43Å; E708-K711 IonicContact OE1-NZ 3.63Å; E708-K711 PolarHBondContact OE1-NZ 3.4Å; E708-K711 IonicContact OE2-NZ 2.8Å
709	M	83	Confident	78.3	Confident	84 Å²	84	71.8 Å²	71.8	41%	0.414	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-70.9	-10.7	170.7	-64.3	-166.5	78.2	0	0	113.6	L674 Y677 P705 S706	L674-M709 HydrophobicContact CD1-CB 4.3Å; Y677-M709 HydrophobicContact CE2-CE 3.86Å; Y677-M709 HydrophobicContact CE2-SD 3.85Å; Y677-M709 PolarHBondContact OH-SD 3.39Å; P705-M709 HydrophobicContact CB-CB 4.07Å; S706-M709 PolarHBondContact O-N 3.33Å; S706-M709 PolarHBondContact OG-N 3.04Å
710	L	86.8	Confident	79.9	Confident	5 Å²	5	69 Å²	69	3%	0.026	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-117.5	21.7	-178.4	-59.5	169.3	0	0	0	111.6	L493 P639 I670 L674 P705 S706 P707 E708 K713 L715	L493-L710 HydrophobicContact CD2-CD1 4.07Å; P639-L710 HydrophobicContact CB-CB 3.76Å; P639-L710 WeakPolarHBondContact CB-O 3.4Å; P639-L710 HydrophobicContact CG-CB 3.81Å; P639-L710 HydrophobicContact CG-CD1 4.48Å; I670-L710 HydrophobicContact CD1-CD2 3.45Å; I670-L710 VanDerWaalsContact CD1-CD2 3.45Å; L674-L710 HydrophobicContact CD1-CD2 4.02Å; P705-L710 HydrophobicContact CB-CD1 3.98Å; P705-L710 HydrophobicContact CB-CD2 4.11Å; P705-L710 HydrophobicContact CB-CG 3.91Å; P705-L710 HydrophobicContact CG-CD1 4.43Å; P705-L710 HydrophobicContact CG-CD2 4.23Å; P705-L710 HydrophobicContact CG-CG 4.49Å; S706-L710 WeakPolarHBondContact O-CG 3.4Å; S706-L710 PolarHBondContact O-N 2.82Å; P707-L710 CarbonylContact O-C 3.56Å; P707-L710 PolarHBondContact O-N 3.5Å; P707-L710 VanDerWaalsContact O-N 3.17Å; E708-L710 PolarHBondContact O-N 2.84Å; L710-K713 WeakPolarHBondContact O-CB 3.43Å; L710-K713 PolarHBondContact O-N 3.17Å; L710-L715 HydrophobicContact CD1-CD1 4.28Å
711	K	87.5	Confident	80.7	Confident	72 Å²	72	61.5 Å²	61.5	31%	0.313	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	132.9	179.2	-163.3	172.6	-157.9	158.7	0	111.4	D637 P707 E708 K713	D637-K711 HydrophobicContact CB-CD 4.12Å; D637-K711 VanDerWaalsContact CB-CE 3.48Å; D637-K711 HydrophobicContact CB-CG 3.54Å; D637-K711 CarbonylContact O-C 3.58Å; D637-K711 WeakPolarHBondContact O-CA 3.44Å; D637-K711 WeakPolarHBondContact O-CG 3.22Å; D637-K711 WeakPolarHBondContact OD2-CE 3.44Å; P707-K711 PolarHBondContact O-N 2.82Å; E708-K711 WeakPolarHBondContact O-CB 3.32Å; E708-K711 PolarHBondContact O-N 2.77Å; E708-K711 WeakPolarHBondContact OE1-CD 3.43Å; E708-K711 IonicContact OE1-NZ 3.63Å; E708-K711 PolarHBondContact OE1-NZ 3.4Å; E708-K711 IonicContact OE2-NZ 2.8Å; K711-K713 VanDerWaalsContact C-N 3.28Å; K711-K713 PolarHBondContact O-N 2.77Å
712	N	89.5	Confident	80.9	Confident	62 Å²	62	66.6 Å²	66.6	33%	0.332	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	38.2	-175.6	-60.3	-39	0	0	0	113.7	F633 D637	F633-N712 VanDerWaalsContact CZ-C 3.49Å; D637-N712 WeakPolarHBondContact CA-OD1 3.37Å; D637-N712 WeakPolarHBondContact CB-OD1 3.39Å; D637-N712 PolarHBondContact O-N 2.85Å
713	K	89.7	Confident	79.9	Confident	72 Å²	72	64.6 Å²	64.6	31%	0.313	32%	0.316	S	S	.	.			trans	-126.7	149	178.1	-63.5	-64.1	171.3	-176.6	0	114.5	P639 F640 Q667 W668 I670 L710 K711	P639-K713 WeakPolarHBondContact CA-O 3.4Å; F640-K713 PolarHBondContact N-O 3.2Å; Q667-K713 PolarHBondContact O-NZ 3Å; W668-K713 CarbonylContact O-C 3.57Å; W668-K713 VanDerWaalsContact O-CA 3.32Å; W668-K713 WeakPolarHBondContact O-CA 3.11Å; W668-K713 VanDerWaalsContact O-CD 3.26Å; W668-K713 WeakPolarHBondContact O-CD 3.41Å; I670-K713 HydrophobicContact CD1-CB 3.71Å; I670-K713 HydrophobicContact CD1-CG 3.99Å; I670-K713 HydrophobicContact CG1-CB 3.83Å; I670-K713 HydrophobicContact CG1-CD 3.99Å; I670-K713 HydrophobicContact CG1-CG 4Å; L710-K713 WeakPolarHBondContact O-CB 3.43Å; L710-K713 PolarHBondContact O-N 3.17Å; K711-K713 VanDerWaalsContact C-N 3.28Å; K711-K713 PolarHBondContact O-N 2.77Å
714	I	90.9	Very high	77.9	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.8	175.6	-64.6	175.1	0	0	0	109.1	I632 F633 F640 L642 L665 W668 I669 I670	I632-I714 HydrophobicContact CD1-CD1 3.65Å; I632-I714 HydrophobicContact CD1-CG1 4.41Å; F633-I714 HydrophobicContact CE2-CG1 4.29Å; F633-I714 HydrophobicContact CZ-CG1 4.08Å; F640-I714 HydrophobicContact CB-CG1 4.35Å; F640-I714 HydrophobicContact CD1-CG1 4.44Å; F640-I714 CarbonylContact O-C 3.58Å; F640-I714 VanDerWaalsContact O-CA 3.3Å; F640-I714 WeakPolarHBondContact O-CA 3.5Å; L642-I714 HydrophobicContact CB-CG2 4.21Å; L665-I714 HydrophobicContact CB-CD1 4.28Å; L665-I714 HydrophobicContact CD1-CD1 4.13Å; L665-I714 HydrophobicContact CD2-CD1 4.04Å; L665-I714 HydrophobicContact CG-CD1 4.39Å; W668-I714 HydrophobicContact CB-CD1 3.88Å; W668-I714 HydrophobicContact CB-CG1 3.99Å; W668-I714 HydrophobicContact CE3-CD1 3.9Å; W668-I714 PolarHBondContact O-N 2.95Å; I669-I714 HydrophobicContact CG1-CB 4.35Å; I669-I714 HydrophobicContact CG1-CG2 4.35Å; I670-I714 PolarHBondContact N-O 3.48Å; I670-I714 VanDerWaalsContact N-O 3.15Å
715	L	89.8	Confident	75.4	Confident	48 Å²	48	67.4 Å²	67.4	25%	0.251	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	122.1	167.3	-66	174.5	0	0	0	108.6	L493 F640 I641 L642 I670 L710	L493-L715 HydrophobicContact CD2-CD1 3.57Å; F640-L715 PolarHBondContact O-N 2.71Å; I641-L715 CarbonylContact C-O 3.56Å; I641-L715 WeakPolarHBondContact CA-O 3.46Å; I641-L715 HydrophobicContact CG1-CB 4.31Å; I641-L715 HydrophobicContact CG1-CD1 4.27Å; L642-L715 PolarHBondContact N-O 3.12Å; I670-L715 HydrophobicContact CD1-CD2 4.01Å; L710-L715 HydrophobicContact CD1-CD1 4.28Å
716	L	88.5	Confident	72.5	Confident	57 Å²	57	72.2 Å²	72.2	30%	0.298	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.5	-177.4	-175.2	65.4	0	0	0	110.6	L642 I644 L661 I718	L642-L716 HydrophobicContact CB-CD1 4.25Å; L642-L716 HydrophobicContact CD2-CD1 4.13Å; L642-L716 HydrophobicContact CG-CD1 4.25Å; I644-L716 HydrophobicContact CD1-CD1 3.77Å; I644-L716 HydrophobicContact CG1-CD1 4.25Å; L661-L716 HydrophobicContact CD1-CD1 4.42Å; L661-L716 HydrophobicContact CD1-CD2 4.07Å; L716-I718 HydrophobicContact CD1-CG1 4.41Å; L716-I718 HydrophobicContact CD2-CD1 4.07Å; L716-I718 HydrophobicContact CD2-CG1 4.19Å; L716-I718 HydrophobicContact CG-CD1 4.46Å; L716-I718 HydrophobicContact CG-CG1 4.03Å
717	S	86.2	Confident	69.9	Low	43 Å²	43	77.7 Å²	77.7	30%	0.301	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	103.4	174.1	-172	0	0	0	0	109.8	L642 I643 I644	L642-S717 PolarHBondContact O-N 3.45Å; I643-S717 CarbonylContact C-O 3.56Å; I643-S717 WeakPolarHBondContact CA-O 3.23Å; I644-S717 PolarHBondContact N-O 3.45Å
718	I	83.1	Confident	67.3	Low	45 Å²	45	79.5 Å²	79.5	23%	0.231	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	137.5	177.7	-54.4	-178.9	0	0	0	109.1	L646 L716 V761	L646-I718 HydrophobicContact CD1-CG2 3.35Å; L646-I718 HydrophobicContact CG-CG2 3.87Å; L716-I718 HydrophobicContact CD1-CG1 4.41Å; L716-I718 HydrophobicContact CD2-CD1 4.07Å; L716-I718 HydrophobicContact CD2-CG1 4.19Å; L716-I718 HydrophobicContact CG-CD1 4.46Å; L716-I718 HydrophobicContact CG-CG1 4.03Å; I718-V761 HydrophobicContact CD1-CG1 4.32Å
719	R	78.4	Confident	64.9	Low	138 Å²	138	83.5 Å²	83.5	52%	0.521	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	115.9	175	-66.3	179.9	176.9	-177.6	-0	110.4	I644 N645 L646 V721	I644-R719 PolarHBondContact O-N 3.27Å; N645-R719 WeakPolarHBondContact OD1-CD 3.29Å; L646-R719 PolarHBondContact N-O 2.79Å; R719-V721 PolarHBondContact O-N 2.59Å
720	L	72.5	Confident	62.7	Low	75 Å²	75	85 Å²	85	39%	0.393	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	112.9	172.7	-163.6	79.9	0	0	0	109.4	L646 R722	L646-L720 HydrophobicContact CB-CD1 4.18Å; L720-R722 HydrophobicContact CD2-CG 4.36Å; L720-R722 PolarHBondContact O-N 3.47Å
721	V	64.2	Low	60.3	Low	53 Å²	53	89.8 Å²	89.8	32%	0.321	46%	0.464	S	S	.	.			trans	-91.8	87.7	-176.6	-172.1	0	0	0	0	110	N645 L646 Y647 R719 T723	N645-V721 HydrophobicContact CB-CG2 4.14Å; L646-V721 PolarHBondContact O-N 2.84Å; Y647-V721 HydrophobicContact CD1-CB 3.91Å; Y647-V721 HydrophobicContact CD1-CG1 4.13Å; Y647-V721 HydrophobicContact CE1-CB 3.68Å; Y647-V721 HydrophobicContact CE1-CG1 3.59Å; Y647-V721 HydrophobicContact CE1-CG2 4Å; Y647-V721 HydrophobicContact CE2-CG2 4.39Å; R719-V721 PolarHBondContact O-N 2.59Å; V721-T723 PolarHBondContact O-N 3.21Å
722	R	52.5	Low	57.9	Low	183 Å²	183	89.1 Å²	89.1	69%	0.691	47%	0.469	S	S	*	.			trans	-76.1	116.3	166.9	-67.9	-179	177.7	167.6	-1.9	109.3	L720 A724	L720-R722 HydrophobicContact CD2-CG 4.36Å; L720-R722 PolarHBondContact O-N 3.47Å; R722-A724 PolarHBondContact O-N 2.6Å
723	T	41	Very low	55.4	Low	105 Å²	105	92.5 Å²	92.5	64%	0.644	48%	0.482	S	S	*	.			trans	-73.1	113.8	168.2	44.7	0	0	0	0	109.5	V721 R725	V721-T723 PolarHBondContact O-N 3.21Å; T723-R725 PolarHBondContact O-N 3.35Å
724	A	27.6	Very low	52.6	Low	108 Å²	108	95.6 Å²	95.6	89%	0.893	50%	0.498	S	S	*	.			trans	-65.2	101.7	-179.7	0	0	0	0	0	111.8	R722	R722-A724 PolarHBondContact O-N 2.6Å
725	R	29.5	Very low	49.8	Very low	156 Å²	156	102.6 Å²	102.6	59%	0.589	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-99.5	134.3	146.4	-81.9	-175.7	172.7	149.1	2.1	107.3	T723 L727	T723-R725 PolarHBondContact O-N 3.35Å; R725-L727 PolarHBondContact O-N 3.23Å
726	S	26.5	Very low	47	Very low	117 Å²	117	105.9 Å²	105.9	82%	0.818	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-61.5	116.1	161.2	48.6	0	0	0	0	108.7
727	L	29.7	Very low	44.2	Very low	122 Å²	122	108.2 Å²	108.2	64%	0.639	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-57.2	134.6	148.4	-75	155.2	0	0	0	106.6	R725 Q731	R725-L727 PolarHBondContact O-N 3.23Å; L727-Q731 HydrophobicContact CD2-CB 4.49Å
728	S	32.7	Very low	41.5	Very low	51 Å²	51	113 Å²	113	36%	0.357	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-67	147.7	166.9	55.2	0	0	0	0	108.6	D730 Q731 S732	S728-D730 PolarHBondContact O-N 3.43Å; S728-Q731 PolarHBondContact O-N 3.1Å; S728-S732 PolarHBondContact O-N 3.42Å
729	E	34.1	Very low	38.8	Very low	157 Å²	157	119.8 Å²	119.8	73%	0.734	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-30	-177.4	-68.5	-174	116.5	0	0	111.1	S732 Q733	E729-S732 WeakPolarHBondContact CA-OG 3.38Å; E729-S732 CarbonylContact O-C 3.55Å; E729-S732 PolarHBondContact O-N 2.93Å; E729-S732 VanDerWaalsContact O-N 3.16Å; E729-S732 PolarHBondContact O-OG 3.45Å; E729-Q733 WeakPolarHBondContact O-CG 3.32Å; E729-Q733 PolarHBondContact O-N 2.84Å; E729-Q733 VanDerWaalsContact O-N 3.11Å
730	D	36.8	Very low	36.3	Very low	114 Å²	114	120.9 Å²	120.9	61%	0.61	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-47.7	172	-36	-65.6	0	0	0	112.8	S728 S732 Q733 E734	S728-D730 PolarHBondContact O-N 3.43Å; D730-S732 PolarHBondContact O-N 2.95Å; D730-Q733 WeakPolarHBondContact O-CA 3.17Å; D730-Q733 PolarHBondContact O-N 3.12Å; D730-E734 PolarHBondContact O-N 2.7Å
731	Q	36.5	Very low	34.2	Very low	106 Å²	106	125.5 Å²	125.5	50%	0.495	66%	0.658	S	S	.	*	H	α-helix	trans	-70.4	-22.1	179	-73.8	-167	-23.7	0	0	112.5	L727 S728 Q733	L727-Q731 HydrophobicContact CD2-CB 4.49Å; S728-Q731 PolarHBondContact O-N 3.1Å; Q731-Q733 VanDerWaalsContact C-N 3.34Å
732	S	37.1	Very low	32.5	Very low	58 Å²	58	128.4 Å²	128.4	41%	0.406	68%	0.681	S	S	.	*	H	α-helix	trans	-83.6	-4.6	168	54.6	0	0	0	0	114.4	S728 E729 D730 V736	S728-S732 PolarHBondContact O-N 3.42Å; E729-S732 WeakPolarHBondContact CA-OG 3.38Å; E729-S732 CarbonylContact O-C 3.55Å; E729-S732 PolarHBondContact O-N 2.93Å; E729-S732 VanDerWaalsContact O-N 3.16Å; E729-S732 PolarHBondContact O-OG 3.45Å; D730-S732 PolarHBondContact O-N 2.95Å; S732-V736 WeakPolarHBondContact O-CG2 3.39Å
733	Q	36	Very low	31.2	Very low	133 Å²	133	128.1 Å²	128.1	62%	0.621	69%	0.687	S	S	*	*	H	α-helix	trans	-99.4	-38.2	171.9	-70.8	-178.2	10.8	0	0	111.9	E729 D730 Q731 L735 V736 T737	E729-Q733 WeakPolarHBondContact O-CG 3.32Å; E729-Q733 PolarHBondContact O-N 2.84Å; E729-Q733 VanDerWaalsContact O-N 3.11Å; D730-Q733 WeakPolarHBondContact O-CA 3.17Å; D730-Q733 PolarHBondContact O-N 3.12Å; Q731-Q733 VanDerWaalsContact C-N 3.34Å; Q733-L735 VanDerWaalsContact C-N 3.25Å; Q733-L735 PolarHBondContact O-N 2.79Å; Q733-V736 PolarHBondContact O-N 3.12Å; Q733-V736 VanDerWaalsContact O-N 3.1Å; Q733-T737 PolarHBondContact O-N 3.05Å; Q733-T737 PolarHBondContact O-OG1 3.16Å
734	E	31.2	Very low	30.5	Very low	138 Å²	138	129.4 Å²	129.4	65%	0.645	70%	0.699	S	S	*	*	H	α-helix	trans	-61.7	-30.7	171.3	-70.4	-170.7	121.3	0	0	113.1	D730 V736 T737	D730-E734 PolarHBondContact O-N 2.7Å; E734-V736 VanDerWaalsContact C-N 3.31Å; E734-V736 PolarHBondContact O-N 3.01Å; E734-T737 PolarHBondContact O-OG1 2.9Å
735	L	31.1	Very low	30.4	Very low	147 Å²	147	129.9 Å²	129.9	77%	0.77	69%	0.691	S	S	*	*	H	α-helix	trans	-83.1	0.6	176	-83.6	165.8	0	0	0	114.6	Q733	Q733-L735 VanDerWaalsContact C-N 3.25Å; Q733-L735 PolarHBondContact O-N 2.79Å
736	V	32.7	Very low	30.2	Very low	117 Å²	117	131.7 Å²	131.7	71%	0.709	71%	0.706	S	S	*	*	H	α-helix	trans	-111	-14	-179.4	170.3	0	0	0	0	112.6	S732 Q733 E734	S732-V736 WeakPolarHBondContact O-CG2 3.39Å; Q733-V736 PolarHBondContact O-N 3.12Å; Q733-V736 VanDerWaalsContact O-N 3.1Å; E734-V736 VanDerWaalsContact C-N 3.31Å; E734-V736 PolarHBondContact O-N 3.01Å
737	T	29.7	Very low	30.1	Very low	107 Å²	107	131.8 Å²	131.8	66%	0.656	70%	0.702	S	S	*	*	H	α-helix	trans	-92.1	-19	-177.9	46.8	0	0	0	0	114.9	Q733 E734 K739	Q733-T737 PolarHBondContact O-N 3.05Å; Q733-T737 PolarHBondContact O-OG1 3.16Å; E734-T737 PolarHBondContact O-OG1 2.9Å; T737-K739 VanDerWaalsContact C-N 3.31Å; T737-K739 PolarHBondContact O-N 3.12Å
738	N	28.7	Very low	30.1	Very low	142 Å²	142	132.7 Å²	132.7	76%	0.759	71%	0.712	S	S	*	*			trans	-77.5	75.9	176.3	-86.8	-43.2	0	0	0	112.8	L740	N738-L740 PolarHBondContact O-N 2.82Å
739	K	26.5	Very low	29.6	Very low	188 Å²	188	138 Å²	138	82%	0.817	74%	0.736	S	S	*	*			trans	-63.1	110.1	160.9	-80.9	-177.1	175.7	178.6	0	109.9	T737	T737-K739 VanDerWaalsContact C-N 3.31Å; T737-K739 PolarHBondContact O-N 3.12Å
740	L	26.8	Very low	29.3	Very low	161 Å²	161	137.2 Å²	137.2	84%	0.843	74%	0.742	S	S	*	*			trans	-125.9	102.8	160	-105	164.6	0	0	0	109.8	N738	N738-L740 PolarHBondContact O-N 2.82Å
741	Q	26.4	Very low	28.8	Very low	172 Å²	172	140.4 Å²	140.4	80%	0.804	75%	0.75	S	S	*	*			trans	-74.2	125	172.1	-68.4	166.3	-101.5	0	0	109.3
742	S	28.9	Very low	28.4	Very low	115 Å²	115	142.7 Å²	142.7	80%	0.804	77%	0.766	S	S	*	*			trans	-150	136.1	151.2	48.8	0	0	0	0	109.1
743	H	26.4	Very low	27.8	Very low	177 Å²	177	146 Å²	146	82%	0.819	79%	0.786	S	S	*	*			trans	-89.2	146.6	177.8	-73.6	-106.1	0	0	0	109.9
744	C	25.4	Very low	27.4	Very low	132 Å²	132	147.6 Å²	147.6	89%	0.892	79%	0.793	S	S	*	*			trans	-132.4	137.6	148.6	-157.1	0	0	0	0	109
745	T	26.1	Very low	27.3	Very low	117 Å²	117	149 Å²	149	72%	0.718	80%	0.803	S	S	*	*			trans	-85.5	147.8	-152.1	39	0	0	0	0	115.1	T747	T745-T747 PolarHBondContact O-N 3.09Å
746	Q	24.3	Very low	27.2	Very low	194 Å²	194	146.2 Å²	146.2	91%	0.907	80%	0.802	S	S	*	*			trans	-77.1	107.1	155.7	-70.8	179.5	-29.6	0	0	109.5
747	T	25	Very low	26.9	Very low	120 Å²	120	145.5 Å²	145.5	74%	0.736	80%	0.802	S	S	*	*			trans	-168.9	96.5	151.9	16.7	0	0	0	0	113.3	T745	T745-T747 PolarHBondContact O-N 3.09Å
748	T	28.8	Very low	26.8	Very low	140 Å²	140	145.9 Å²	145.9	86%	0.859	81%	0.806	S	S	*	*				-175.5	126.3	125.7	17.8	0	0	0	0	110.5
749	L	24.2	Very low	26.7	Very low	164 Å²	164	141.8 Å²	141.8	86%	0.859	78%	0.784	S	S	*	*			trans	-88.8	131.5	158.8	-81.5	87.4	0	0	0	108.4
750	V	27.9	Very low	26.7	Very low	139 Å²	139	137.3 Å²	137.3	84%	0.842	77%	0.772	S	S	*	*			trans	-117.1	133.4	147.1	-179.8	0	0	0	0	106.9
751	K	25.1	Very low	26.8	Very low	182 Å²	182	132.7 Å²	132.7	79%	0.791	75%	0.751	S	S	*	*			trans	-83	122.8	-171.3	-60.5	170.5	-175.9	170.8	0	110.2
752	N	27.5	Very low	26.8	Very low	153 Å²	153	131.8 Å²	131.8	82%	0.818	74%	0.744	S	S	*	*			trans	-147.5	105.3	151.8	-98.8	-20.6	0	0	0	108.1	E754	N752-E754 PolarHBondContact O-N 3.31Å; N752-E754 VanDerWaalsContact O-N 3.16Å
753	P	26.2	Very low	26.7	Very low	128 Å²	128	132.1 Å²	132.1	83%	0.831	74%	0.736	S	S	*	*			trans	-84.8	26	-171.2	35.9	-36.8	0	0	0	113.9
754	E	26.9	Very low	26.8	Very low	167 Å²	167	128.8 Å²	128.8	78%	0.78	73%	0.728	S	S	*	*			trans	-135.1	95.1	-178.5	-65.3	-171	168.3	0	0	110.5	N752	N752-E754 PolarHBondContact O-N 3.31Å; N752-E754 VanDerWaalsContact O-N 3.16Å
755	I	29.2	Very low	26.8	Very low	167 Å²	167	127.2 Å²	127.2	86%	0.856	71%	0.711	S	S	*	*	S	Bend	trans	-178.3	137.9	154.5	-98.2	149.6	0	0	0	109.3
756	A	28.5	Very low	26.9	Very low	89 Å²	89	127.6 Å²	127.6	74%	0.736	72%	0.715	S	S	*	*			trans	31.8	98	164.6	0	0	0	0	0	118.9
757	S	26.7	Very low	27	Very low	101 Å²	101	125.1 Å²	125.1	71%	0.706	70%	0.704	S	S	*	*			trans	-58.1	133	160.8	56.9	0	0	0	0	111.1	L759	S757-L759 PolarHBondContact O-N 3.34Å
758	P	27	Very low	27.1	Very low	116 Å²	116	122.9 Å²	122.9	75%	0.753	71%	0.705	S	S	*	*			trans	-62	132.6	-176	24.6	-33.9	0	0	0	111.7	T760	P758-T760 PolarHBondContact O-N 3.19Å; P758-T760 VanDerWaalsContact O-N 3.15Å
759	L	27.6	Very low	27	Very low	55 Å²	55	124.7 Å²	124.7	29%	0.288	70%	0.703	S	S	.	*			trans	-69.3	109.8	-175.1	-152.6	166.5	0	0	0	109.3	V671 S757 V761	V671-L759 HydrophobicContact CG1-CB 4.45Å; V671-L759 HydrophobicContact CG1-CD2 4.22Å; V671-L759 HydrophobicContact CG1-CG 3.87Å; V671-L759 HydrophobicContact CG2-CD2 4.47Å; V671-L759 HydrophobicContact CG2-CG 4.09Å; S757-L759 PolarHBondContact O-N 3.34Å; L759-V761 VanDerWaalsContact C-N 3.26Å; L759-V761 HydrophobicContact CD2-CG2 4.1Å; L759-V761 PolarHBondContact O-N 3.33Å
760	T	26.2	Very low	27.1	Very low	94 Å²	94	125.7 Å²	125.7	58%	0.577	70%	0.696	S	S	*	*			trans	-72.3	78.3	-177.4	-53.8	0	0	0	0	111.2	P758 F762	P758-T760 PolarHBondContact O-N 3.19Å; P758-T760 VanDerWaalsContact O-N 3.15Å; T760-F762 PolarHBondContact O-N 3.44Å
761	V	28.7	Very low	27.1	Very low	64 Å²	64	129.4 Å²	129.4	39%	0.388	70%	0.701	S	S	.	*			trans	-65.5	116.8	174.6	-176.7	0	0	0	0	108.9	I718 L759 I763	I718-V761 HydrophobicContact CD1-CG1 4.32Å; L759-V761 VanDerWaalsContact C-N 3.26Å; L759-V761 HydrophobicContact CD2-CG2 4.1Å; L759-V761 PolarHBondContact O-N 3.33Å; V761-I763 HydrophobicContact CB-CG1 4.18Å; V761-I763 HydrophobicContact CG1-CG1 3.72Å; V761-I763 PolarHBondContact O-N 3.2Å
762	F	26.7	Very low	27.3	Very low	153 Å²	153	126.5 Å²	126.5	67%	0.671	70%	0.703	S	S	*	*			trans	-70.6	79.2	167.9	-78.1	-86.7	0	0	0	109.9	T760 T764	T760-F762 PolarHBondContact O-N 3.44Å; F762-T764 VanDerWaalsContact C-N 3.31Å; F762-T764 PolarHBondContact O-N 2.72Å
763	I	26.5	Very low	27.2	Very low	123 Å²	123	123.9 Å²	123.9	63%	0.631	70%	0.703	S	S	*	*			trans	-70.2	89.8	171.8	-55.3	177.8	0	0	0	107.9	V761 N765	V761-I763 HydrophobicContact CB-CG1 4.18Å; V761-I763 HydrophobicContact CG1-CG1 3.72Å; V761-I763 PolarHBondContact O-N 3.2Å; I763-N765 VanDerWaalsContact C-N 3.3Å; I763-N765 PolarHBondContact O-N 3.09Å
764	T	27.9	Very low	27.3	Very low	107 Å²	107	122.4 Å²	122.4	66%	0.656	70%	0.696	S	S	*	*			trans	-74.5	87	169.1	57.5	0	0	0	0	109.1	F762	F762-T764 VanDerWaalsContact C-N 3.31Å; F762-T764 PolarHBondContact O-N 2.72Å
765	N	25.8	Very low	27.4	Very low	98 Å²	98	122 Å²	122	52%	0.524	69%	0.694	S	S	.	*			trans	-54.5	134.1	161.3	-82.5	-7.5	0	0	0	108.5	I763 E767	I763-N765 VanDerWaalsContact C-N 3.3Å; I763-N765 PolarHBondContact O-N 3.09Å; N765-E767 WeakPolarHBondContact CB-O 3.22Å; N765-E767 PolarHBondContact O-N 2.75Å
766	P	28.6	Very low	27.2	Very low	125 Å²	125	120 Å²	120	81%	0.812	69%	0.685	S	S	*	*	S	Bend	trans	-70.5	-10.4	169.2	31	-34.6	0	0	0	112.3
767	E	27	Very low	27.1	Very low	142 Å²	142	123.1 Å²	123.1	66%	0.664	69%	0.687	S	S	*	*			trans	-112.7	100.2	-178	-69.5	151.6	-169.2	0	0	108.5	N765	N765-E767 WeakPolarHBondContact CB-O 3.22Å; N765-E767 PolarHBondContact O-N 2.75Å
768	G	26.4	Very low	27	Very low	73 Å²	73	122.5 Å²	122.5	75%	0.753	69%	0.688	S	S	*	*			trans	-159.7	8.3	-170.8	0	0	0	0	0	116.3
769	E	26.7	Very low	26.9	Very low	179 Å²	179	121.9 Å²	121.9	84%	0.836	69%	0.687	S	S	*	*	S	Bend	trans	-143.2	142.7	169.2	-100.3	-172.5	-164.5	0	0	109.1
770	R	27.1	Very low	26.7	Very low	184 Å²	184	124.9 Å²	124.9	69%	0.694	71%	0.707	S	S	*	*			trans	74.4	92.1	176.1	-51.1	175.8	178.9	-146.7	-4.8	117.8
771	K	28.1	Very low	26.6	Very low	218 Å²	218	127.3 Å²	127.3	95%	0.948	72%	0.717	S	S	*	*				-148	89.6	128.6	-115	179.8	-176	-177.3	0	110.1
772	S	28.5	Very low	26.5	Very low	121 Å²	121	129.4 Å²	129.4	85%	0.846	74%	0.735	S	S	*	*			trans	-133.3	75	166.3	62.4	0	0	0	0	108.3
773	A	25.8	Very low	26.5	Very low	98 Å²	98	127.3 Å²	127.3	81%	0.81	74%	0.739	S	S	*	*			trans	-73.6	168.6	154.7	0	0	0	0	0	108.4
774	S	27.7	Very low	26.4	Very low	97 Å²	97	126.4 Å²	126.4	68%	0.678	74%	0.743	S	S	*	*			cis	-126.3	-167	2.2	50.7	0	0	0	0	108.6
775	Q	27.9	Very low	26.4	Very low	158 Å²	158	129.6 Å²	129.6	74%	0.738	75%	0.751	S	S	*	*			cis	-161.4	150.2	13.5	-153.7	141.4	-20	0	0	111.6
776	D	27.1	Very low	26.4	Very low	125 Å²	125	132.6 Å²	132.6	67%	0.668	77%	0.766	S	S	*	*			trans	23.8	110.4	153.2	-51.2	-32.9	0	0	0	123.3
777	I	25.4	Very low	26.4	Very low	155 Å²	155	131.6 Å²	131.6	80%	0.795	76%	0.762	S	S	*	*				40.2	105	108.9	-55.4	175.2	0	0	0	119.3
778	A	23.9	Very low	27	Very low	87 Å²	87	130.3 Å²	130.3	72%	0.719	77%	0.766	S	S	*	*			trans	76.8	157.7	136.4	0	0	0	0	0	123.5
779	S	24.7	Very low	27.3	Very low	103 Å²	103	132.7 Å²	132.7	72%	0.72	77%	0.768	S	S	*	*			trans	83.9	97.5	155.2	-35.2	0	0	0	0	120.5
780	T	24.8	Very low	27.5	Very low	118 Å²	118	128.6 Å²	128.6	72%	0.724	77%	0.765	S	S	*	*			trans	54.9	109.4	130.9	56.2	0	0	0	0	122.4
781	N	24.1	Very low	27.7	Very low	145 Å²	145	128.9 Å²	128.9	78%	0.775	77%	0.771	S	S	*	*				76.7	136.5	126.5	-60.6	-2.2	0	0	0	122.7
782	S	25.8	Very low	27.9	Very low	109 Å²	109	126.3 Å²	126.3	76%	0.762	76%	0.762	S	S	*	*			trans	64.2	103.7	143.7	54.2	0	0	0	0	122.1
783	S	25.7	Very low	27.8	Very low	108 Å²	108	131 Å²	131	76%	0.755	76%	0.761	S	S	*	*				73.6	148.3	119.1	-156.5	0	0	0	0	121.3
784	S	26.5	Very low	28	Very low	104 Å²	104	133.7 Å²	133.7	73%	0.727	76%	0.761	S	S	*	*			trans	64	148.5	162	60.8	0	0	0	0	118.4
785	Q	26.1	Very low	27.8	Very low	175 Å²	175	134.8 Å²	134.8	82%	0.818	76%	0.759	S	S	*	*			cis	-166	168.6	-31.8	-136.7	173.6	4	0	0	109.3
786	L	25.9	Very low	27.7	Very low	160 Å²	160	133.5 Å²	133.5	84%	0.838	76%	0.757	S	S	*	*			trans	73	168.1	161.6	-62.2	161.1	0	0	0	118.7
787	S	29.4	Very low	27.7	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	76%	0.758	S	S	*	*			trans	-171.8	-164.5	-155	62.9	0	0	0	0	111
788	P	40.1	Very low	27.7	Very low	115 Å²	115	134.8 Å²	134.8	75%	0.747	76%	0.757	S	S	*	*			cis	-108.2	-86.4	-29.8	15.9	7.4	0	0	0	112
789	P	32.7	Very low	27.9	Very low	123 Å²	123	137.5 Å²	137.5	80%	0.799	76%	0.758	S	S	*	*			cis	-102.2	-138	-13	42.3	-32.7	0	0	0	113.1
790	A	29.7	Very low	28	Very low	92 Å²	92	138.2 Å²	138.2	76%	0.76	76%	0.758	S	S	*	*			trans	-159.1	171.3	-172.7	0	0	0	0	0	115.5
791	K	31.9	Very low	28.2	Very low	191 Å²	191	138.1 Å²	138.1	83%	0.83	75%	0.753	S	S	*	*			trans	145.6	145.5	151.5	-81.2	178	178.1	-178.7	0	110.7
792	H	31.7	Very low	28.4	Very low	163 Å²	163	139.5 Å²	139.5	76%	0.755	75%	0.752	S	S	*	*			cis	-147.8	161.5	-4	-141.1	-81	0	0	0	111.4
793	R	27.4	Very low	28.4	Very low	219 Å²	219	139.6 Å²	139.6	83%	0.826	75%	0.753	S	S	*	*			trans	-88.7	159.2	165.2	-84	-178.3	172	172.6	-4	111.8
794	L	28.7	Very low	28.7	Very low	156 Å²	156	139.3 Å²	139.3	82%	0.817	76%	0.757	S	S	*	*			trans	162.2	167.2	135.7	-84.6	159	0	0	0	109.1
795	D	25	Very low	28.9	Very low	119 Å²	119	141 Å²	141	64%	0.636	76%	0.763	S	S	*	*				-157.1	171.3	-67.5	-127.6	-42.8	0	0	0	111.3
796	L	25.2	Very low	29.2	Very low	131 Å²	131	137.2 Å²	137.2	69%	0.686	75%	0.754	S	S	*	*			trans	48.7	120.2	158.2	-91.3	69.3	0	0	0	123.3
797	N	26.3	Very low	29.2	Very low	128 Å²	128	137.6 Å²	137.6	68%	0.684	75%	0.751	S	S	*	*				70.7	121.7	126	-69.7	-22.9	0	0	0	125.5
798	K	25.2	Very low	29.2	Very low	179 Å²	179	139 Å²	139	78%	0.778	75%	0.751	S	S	*	*				79.3	158.4	128.1	-75.5	-174.7	174.4	-176.5	0	121.9
799	I	29	Very low	28.7	Very low	144 Å²	144	140.4 Å²	140.4	74%	0.738	75%	0.747	S	S	*	*			trans	69.4	91	160.6	-69.4	150.7	0	0	0	114
800	T	27.3	Very low	28.4	Very low	118 Å²	118	140.7 Å²	140.7	72%	0.724	74%	0.742	S	S	*	*				88.3	139.9	65.9	56.9	0	0	0	0	115.5
801	D	27.7	Very low	28.2	Very low	117 Å²	117	141 Å²	141	63%	0.626	74%	0.738	S	S	*	*			trans	90.7	122.8	150.8	-81.4	21	0	0	0	123.2
802	K	29.2	Very low	28.1	Very low	173 Å²	173	140.1 Å²	140.1	75%	0.752	74%	0.742	S	S	*	*			trans	88	94.7	132	-73.5	170.7	179.7	130.6	0	122.1
803	S	26.5	Very low	27.8	Very low	112 Å²	112	135.2 Å²	135.2	78%	0.783	74%	0.736	S	S	*	*				54.6	122.4	116.9	64	0	0	0	0	122.1
804	A	30.3	Very low	28.1	Very low	102 Å²	102	136.7 Å²	136.7	84%	0.843	74%	0.742	S	S	*	*				-159.8	140.7	123.1	0	0	0	0	0	112.2
805	T	31.7	Very low	27.9	Very low	138 Å²	138	136.9 Å²	136.9	85%	0.847	74%	0.743	S	S	*	*			trans	-95.7	173.1	159.3	38.6	0	0	0	0	108.4
806	P	31.5	Very low	28.4	Very low	97 Å²	97	135.7 Å²	135.7	63%	0.63	74%	0.741	S	S	*	*			cis	-147.2	-170.9	29	45.2	-23.5	0	0	0	117.9
807	E	26.3	Very low	28.3	Very low	168 Å²	168	138.4 Å²	138.4	79%	0.785	75%	0.748	S	S	*	*			trans	23.2	136.9	137.5	-63.5	148.1	170.2	0	0	118.3
808	D	29.7	Very low	28.3	Very low	134 Å²	134	138 Å²	138	72%	0.717	75%	0.754	S	S	*	*				-173.5	163.2	69.8	-125.5	-21.1	0	0	0	118
809	H	28.8	Very low	28.2	Very low	145 Å²	145	136.1 Å²	136.1	67%	0.671	76%	0.761	S	S	*	*			trans	42.7	131.8	147.3	-80.4	-57.8	0	0	0	127.7
810	N	26.7	Very low	28	Very low	129 Å²	129	132.4 Å²	132.4	69%	0.69	76%	0.759	S	S	*	*				84	100.6	128.8	-65.4	-6.2	0	0	0	124.9
811	S	25.9	Very low	27.8	Very low	97 Å²	97	134.8 Å²	134.8	68%	0.678	76%	0.764	S	S	*	*				38.2	115.5	120.6	65.2	0	0	0	0	122.6
812	N	29.7	Very low	27.5	Very low	173 Å²	173	138.2 Å²	138.2	93%	0.925	77%	0.77	S	S	*	*			trans	177.8	146.2	139.1	-90.1	-41.7	0	0	0	107.5
813	G	26.6	Very low	27.3	Very low	60 Å²	60	134.9 Å²	134.9	62%	0.619	76%	0.764	S	S	*	*			cis	175.6	-163.7	-3.7	0	0	0	0	0	109.6
814	W	32.1	Very low	27.2	Very low	250 Å²	250	136.5 Å²	136.5	95%	0.947	76%	0.763	S	S	*	*			trans	69.8	78.7	161.5	-61.4	70.9	0	0	0	120.6
815	L	24.5	Very low	27	Very low	160 Å²	160	141.6 Å²	141.6	84%	0.838	77%	0.767	S	S	*	*				10.1	166.1	112.3	-64.2	168.6	0	0	0	120.2
816	P	35.4	Very low	26.7	Very low	94 Å²	94	142.4 Å²	142.4	61%	0.61	76%	0.764	S	S	*	*			cis	-146.6	-157.5	-44	43.3	-24	0	0	0	113.4
817	K	24.9	Very low	26.5	Very low	188 Å²	188	145.6 Å²	145.6	82%	0.817	77%	0.774	S	S	*	*			trans	74.2	137.8	165.2	-69.3	162	-176.8	176.9	0	115.9
818	C	24.6	Very low	26.4	Very low	120 Å²	120	142.4 Å²	142.4	81%	0.811	76%	0.763	S	S	*	*			cis	99.7	143.9	32.4	-69.4	0	0	0	0	113.5
819	C	24.4	Very low	26.2	Very low	139 Å²	139	145.2 Å²	145.2	94%	0.939	76%	0.763	S	S	*	*			trans	67.4	152.7	-167.1	-57.9	0	0	0	0	114.4
820	G	23.5	Very low	25.9	Very low	67 Å²	67	146 Å²	146	69%	0.691	77%	0.772	S	S	*	*			cis	148.8	150.9	-10.2	0	0	0	0	0	113.8
821	M	22.9	Very low	25.9	Very low	167 Å²	167	146.8 Å²	146.8	82%	0.823	78%	0.782	S	S	*	*			trans	84.5	119.2	159.1	-56.6	-165.7	74.9	0	0	122.2
822	Y	23.3	Very low	25.8	Very low	190 Å²	190	146.2 Å²	146.2	75%	0.745	78%	0.783	S	S	*	*				67.8	105.1	128	-79.1	-98.8	0	0	0	124.1
823	T	23.3	Very low	25.6	Very low	103 Å²	103	147.8 Å²	147.8	63%	0.632	78%	0.782	S	S	*	*				69.8	130.5	125.1	56.9	0	0	0	0	124
824	N	24.6	Very low	25.5	Very low	145 Å²	145	150.7 Å²	150.7	78%	0.775	79%	0.793	S	S	*	*			trans	56.1	117.5	134.2	-58.8	-7.4	0	0	0	120.7
825	K	27.1	Very low	25.3	Very low	210 Å²	210	144.3 Å²	144.3	91%	0.913	79%	0.787	S	S	*	*				-157.7	149.4	110.2	-107.5	154.3	-172.4	172.5	0	113.7
826	I	26	Very low	25.5	Very low	154 Å²	154	144.6 Å²	144.6	79%	0.79	78%	0.784	S	S	*	*			trans	-85.6	140	176.7	-63.1	157.2	0	0	0	109
827	I	26.7	Very low	25.2	Very low	165 Å²	165	146 Å²	146	85%	0.846	79%	0.786	S	S	*	*			trans	-146.8	97.5	146.9	-88.3	125	0	0	0	108.4
828	D	23.9	Very low	25.5	Very low	101 Å²	101	146.2 Å²	146.2	54%	0.54	79%	0.79	S	S	.	*				48	153.4	118.6	-158.9	20.1	0	0	0	122
829	R	24.5	Very low	25.9	Very low	193 Å²	193	143.8 Å²	143.8	73%	0.728	77%	0.771	S	S	*	*			trans	85.6	91.9	160.1	-47	-165.6	-179.9	163.2	8	120.6	T831	R829-T831 PolarHBondContact O-N 3.26Å
830	N	23.5	Very low	26.1	Very low	161 Å²	161	141.4 Å²	141.4	86%	0.861	76%	0.756	S	S	*	*				37	82.1	107.2	-62.3	-27	0	0	0	117.3
831	T	26.3	Very low	26.6	Very low	145 Å²	145	147 Å²	147	89%	0.89	76%	0.758	S	S	*	*			trans	-130.4	146.5	155.6	39	0	0	0	0	110.6	R829	R829-T831 PolarHBondContact O-N 3.26Å
832	A	24.3	Very low	27	Very low	85 Å²	85	142.6 Å²	142.6	70%	0.702	74%	0.737	S	S	*	*			trans	-125.5	144.3	-175	0	0	0	0	0	111.1
833	F	25.1	Very low	28.1	Very low	206 Å²	206	137.1 Å²	137.1	90%	0.904	72%	0.718	S	S	*	*			trans	46.6	101.3	166.2	-71.9	-76.8	0	0	0	118.6
834	S	24.9	Very low	29.2	Very low	121 Å²	121	136.4 Å²	136.4	85%	0.846	72%	0.715	S	S	*	*			trans	-154	95.3	153.4	57.8	0	0	0	0	113.4
835	S	28	Very low	30.1	Very low	117 Å²	117	133 Å²	133	82%	0.818	69%	0.691	S	S	*	*			trans	172.9	89.5	160.3	53.8	0	0	0	0	107.5
836	Q	27.4	Very low	31.1	Very low	166 Å²	166	126.1 Å²	126.1	78%	0.776	66%	0.664	S	S	*	*			trans	-106.9	-0.7	-161.6	-149.5	168.1	34.1	0	0	113.8
837	D	31	Very low	32	Very low	122 Å²	122	119.6 Å²	119.6	65%	0.652	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-93.1	-29.3	-148.8	-54.1	-76.4	0	0	0	114.4	V839 S840	D837-V839 VanDerWaalsContact C-N 3.25Å; D837-V839 PolarHBondContact O-N 3.1Å; D837-S840 VanDerWaalsContact O-CB 3.25Å; D837-S840 WeakPolarHBondContact O-CB 3.28Å; D837-S840 PolarHBondContact O-N 3.31Å; D837-S840 PolarHBondContact O-OG 2.78Å
838	E	31.1	Very low	32.8	Very low	193 Å²	193	119.8 Å²	119.8	90%	0.902	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-73	-16	177.6	-61.6	-156.7	138.1	0	0	113.7	S840	E838-S840 VanDerWaalsContact C-N 3.31Å
839	V	31.3	Very low	34	Very low	70 Å²	70	116.3 Å²	116.3	42%	0.424	61%	0.605	S	S	.	*	G	3₁₀ helix	trans	-86.7	-5.2	179.5	-167.4	0	0	0	0	111.9	D837 Y841 L842 A847	D837-V839 VanDerWaalsContact C-N 3.25Å; D837-V839 PolarHBondContact O-N 3.1Å; V839-Y841 PolarHBondContact O-N 3.33Å; V839-L842 HydrophobicContact CG1-CB 4.13Å; V839-L842 HydrophobicContact CG1-CD1 4.37Å; V839-L842 PolarHBondContact O-N 2.92Å; V839-A847 HydrophobicContact CG1-CB 3.75Å
840	S	28.8	Very low	35.1	Very low	88 Å²	88	112.1 Å²	112.1	62%	0.615	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	-24.4	-175.9	52.6	0	0	0	0	115.9	D837 E838	D837-S840 VanDerWaalsContact O-CB 3.25Å; D837-S840 WeakPolarHBondContact O-CB 3.28Å; D837-S840 PolarHBondContact O-N 3.31Å; D837-S840 PolarHBondContact O-OG 2.78Å; E838-S840 VanDerWaalsContact C-N 3.31Å
841	Y	34.5	Very low	36.1	Very low	186 Å²	186	109.9 Å²	109.9	73%	0.729	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	0.3	177.2	-65	-77.2	0	0	0	115	V839	V839-Y841 PolarHBondContact O-N 3.33Å
842	L	31.5	Very low	36.8	Very low	73 Å²	73	104.3 Å²	104.3	38%	0.382	56%	0.557	S	S	.	*	S	Bend	trans	-101.2	116.4	-179.1	-78.8	161.6	0	0	0	111.7	V839 L846	V839-L842 HydrophobicContact CG1-CB 4.13Å; V839-L842 HydrophobicContact CG1-CD1 4.37Å; V839-L842 PolarHBondContact O-N 2.92Å; L842-L846 HydrophobicContact CD2-CB 4.1Å; L842-L846 HydrophobicContact CD2-CD1 4.32Å; L842-L846 HydrophobicContact CD2-CD2 4.27Å; L842-L846 HydrophobicContact CD2-CG 4.46Å
843	H	45.9	Very low	37.7	Very low	76 Å²	76	105.4 Å²	105.4	35%	0.352	56%	0.556	S	S	.	*			trans	-45.4	137.2	172.9	174.1	-99.6	0	0	0	111.4	R845 L846 A847 E966	H843-R845 PolarHBondContact ND1-N 3.47Å; H843-R845 PolarHBondContact O-N 2.7Å; H843-L846 HydrophobicContact CB-CB 4.34Å; H843-L846 WeakPolarHBondContact O-CA 3.36Å; H843-L846 WeakPolarHBondContact O-CB 3.45Å; H843-L846 PolarHBondContact O-N 3.09Å; H843-A847 PolarHBondContact O-N 2.63Å; H843-A847 VanDerWaalsContact O-N 3.09Å; H843-E966 IonicContact CE1-OE2 2.7Å; H843-E966 PolarHBondContact CE1-OE2 3.27Å
844	P	46.4	Very low	38.6	Very low	87 Å²	87	100.9 Å²	100.9	57%	0.565	55%	0.546	S	S	*	.	H	α-helix	trans	-57.5	-25.2	-167.1	-30.6	36.3	0	0	0	116.1	R848	P844-R848 WeakPolarHBondContact O-CB 3.47Å; P844-R848 WeakPolarHBondContact O-CD 3.28Å; P844-R848 VanDerWaalsContact O-CG 3.24Å; P844-R848 WeakPolarHBondContact O-CG 3.03Å; P844-R848 PolarHBondContact O-N 3.03Å; P844-R848 VanDerWaalsContact O-N 3.16Å
845	R	44.3	Very low	39.4	Very low	75 Å²	75	97.4 Å²	97.4	28%	0.283	52%	0.52	S	S	.	.	H	α-helix	trans	-83.4	-18.8	173.2	-60.4	-156.7	-171.2	141.6	10.7	114.7	H843 L849 L963 E966	H843-R845 PolarHBondContact ND1-N 3.47Å; H843-R845 PolarHBondContact O-N 2.7Å; R845-L849 WeakPolarHBondContact O-CB 3.42Å; R845-L849 PolarHBondContact O-N 3.47Å; R845-L963 HydrophobicContact CB-CD1 4.41Å; R845-L963 HydrophobicContact CB-CD2 4.39Å; R845-L963 HydrophobicContact CB-CG 3.96Å; R845-L963 WeakPolarHBondContact O-CD1 3.41Å; R845-E966 WeakPolarHBondContact CD-OE2 3.42Å; R845-E966 IonicContact CZ-OE1 2.72Å; R845-E966 IonicContact CZ-OE2 2.72Å; R845-E966 IonicContact NE-OE1 2.69Å; R845-E966 IonicContact NE-OE2 2.69Å; R845-E966 PolarHBondContact NE-OE2 2.82Å; R845-E966 IonicContact NH1-OE1 3.68Å; R845-E966 PolarHBondContact NH1-OE1 3.49Å; R845-E966 IonicContact NH1-OE2 3.55Å; R845-E966 PolarHBondContact NH1-OE2 2.83Å; R845-E966 IonicContact NH2-OE1 3.6Å; R845-E966 PolarHBondContact NH2-OE1 3.29Å; R845-E966 IonicContact NH2-OE2 3.44Å
846	L	48.1	Very low	39.9	Very low	64 Å²	64	94.5 Å²	94.5	34%	0.335	51%	0.509	S	S	.	.	H	α-helix	trans	-76.2	-45.9	169.4	-113.5	165.8	0	0	0	109.9	L842 H843 R848 L849 V850 L963	L842-L846 HydrophobicContact CD2-CB 4.1Å; L842-L846 HydrophobicContact CD2-CD1 4.32Å; L842-L846 HydrophobicContact CD2-CD2 4.27Å; L842-L846 HydrophobicContact CD2-CG 4.46Å; H843-L846 HydrophobicContact CB-CB 4.34Å; H843-L846 WeakPolarHBondContact O-CA 3.36Å; H843-L846 WeakPolarHBondContact O-CB 3.45Å; H843-L846 PolarHBondContact O-N 3.09Å; L846-R848 VanDerWaalsContact C-N 3.33Å; L846-R848 PolarHBondContact O-N 3.11Å; L846-L849 WeakPolarHBondContact O-CA 3.29Å; L846-L849 WeakPolarHBondContact O-CB 3.35Å; L846-L849 PolarHBondContact O-N 2.94Å; L846-V850 PolarHBondContact O-N 3.17Å; L846-L963 HydrophobicContact CB-CD1 4.43Å; L846-L963 HydrophobicContact CB-CD2 4.39Å; L846-L963 HydrophobicContact CD1-CD2 4.25Å; L846-L963 HydrophobicContact CG-CD1 3.95Å; L846-L963 HydrophobicContact CG-CD2 3.94Å
847	A	44.4	Very low	40.7	Very low	18 Å²	18	91.2 Å²	91.2	15%	0.149	49%	0.493	C	S	.	.	H	α-helix	trans	-52.9	-49.8	168.5	0	0	0	0	0	111.2	V839 H843 L849 V850 V851	V839-A847 HydrophobicContact CG1-CB 3.75Å; H843-A847 PolarHBondContact O-N 2.63Å; H843-A847 VanDerWaalsContact O-N 3.09Å; A847-L849 PolarHBondContact O-N 3.24Å; A847-V850 PolarHBondContact O-N 2.98Å; A847-V850 VanDerWaalsContact O-N 3.16Å; A847-V851 WeakPolarHBondContact O-CG2 3.4Å; A847-V851 PolarHBondContact O-N 3.39Å
848	R	44	Very low	41.5	Very low	168 Å²	168	87.9 Å²	87.9	63%	0.634	48%	0.477	S	S	*	.	H	α-helix	trans	-66.7	-0.4	173.3	-68.7	171.3	179.7	-176.2	0.8	115.9	P844 L846	P844-R848 WeakPolarHBondContact O-CB 3.47Å; P844-R848 WeakPolarHBondContact O-CD 3.28Å; P844-R848 VanDerWaalsContact O-CG 3.24Å; P844-R848 WeakPolarHBondContact O-CG 3.03Å; P844-R848 PolarHBondContact O-N 3.03Å; P844-R848 VanDerWaalsContact O-N 3.16Å; L846-R848 VanDerWaalsContact C-N 3.33Å; L846-R848 PolarHBondContact O-N 3.11Å
849	L	49.2	Very low	41.8	Very low	29 Å²	29	82.3 Å²	82.3	15%	0.152	46%	0.458	C	S	.	.	H	α-helix	trans	-106.7	-26.8	173.7	-155.1	153.3	0	0	0	111.4	R845 L846 A847 K956 L959 L960 L963	R845-L849 WeakPolarHBondContact O-CB 3.42Å; R845-L849 PolarHBondContact O-N 3.47Å; L846-L849 WeakPolarHBondContact O-CA 3.29Å; L846-L849 WeakPolarHBondContact O-CB 3.35Å; L846-L849 PolarHBondContact O-N 2.94Å; A847-L849 PolarHBondContact O-N 3.24Å; L849-K956 HydrophobicContact CD2-CG 4.29Å; L849-K956 HydrophobicContact CG-CG 4.46Å; L849-L959 HydrophobicContact CD1-CB 4.1Å; L849-L960 HydrophobicContact CD1-CB 4.31Å; L849-L960 HydrophobicContact CD1-CD1 4.2Å; L849-L963 HydrophobicContact CB-CD1 4.46Å; L849-L963 HydrophobicContact CD1-CD1 3.66Å
850	V	47.8	Very low	42.2	Very low	104 Å²	104	83.4 Å²	83.4	63%	0.63	46%	0.462	S	S	*	.	H	α-helix	trans	-74.1	-48.9	167	176.4	0	0	0	0	110.5	L846 A847 L852	L846-V850 PolarHBondContact O-N 3.17Å; A847-V850 PolarHBondContact O-N 2.98Å; A847-V850 VanDerWaalsContact O-N 3.16Å; V850-L852 PolarHBondContact O-N 2.79Å
851	V	43	Very low	42.9	Very low	114 Å²	114	80.8 Å²	80.8	69%	0.691	44%	0.442	S	S	*	.	S	Bend	trans	-79.6	46.1	179.3	-169.3	0	0	0	0	111.3	A847	A847-V851 WeakPolarHBondContact O-CG2 3.4Å; A847-V851 PolarHBondContact O-N 3.39Å
852	L	42.7	Very low	43.2	Very low	29 Å²	29	74.5 Å²	74.5	15%	0.152	43%	0.425	C	S	.	.			trans	-123.1	91.2	173.4	-99.3	179.7	0	0	0	109.6	V850 T854 L959	V850-L852 PolarHBondContact O-N 2.79Å; L852-T854 PolarHBondContact O-N 3.48Å; L852-L959 HydrophobicContact CD1-CD1 3.52Å
853	P	41.6	Very low	43.7	Very low	107 Å²	107	75.3 Å²	75.3	70%	0.695	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-64	135	178	26.4	-33.7	0	0	0	110.5
854	T	43.8	Very low	43.5	Very low	111 Å²	111	74 Å²	74	68%	0.681	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-69.2	123.7	166.2	27.2	0	0	0	0	109.4	L852 G856	L852-T854 PolarHBondContact O-N 3.48Å; T854-G856 PolarHBondContact O-N 3.28Å
855	P	43.7	Very low	43.4	Very low	48 Å²	48	71.9 Å²	71.9	31%	0.312	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-63.6	121.5	173.5	26	-32.7	0	0	0	109.2	Q949	P855-Q949 HydrophobicContact CG-CG 3.91Å; P855-Q949 PolarHBondContact O-NE2 3.27Å
856	G	38.1	Very low	43.4	Very low	57 Å²	57	73.5 Å²	73.5	59%	0.588	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-63.2	163.7	-177.9	0	0	0	0	0	113	T854	T854-G856 PolarHBondContact O-N 3.28Å
857	F	44.1	Very low	43	Very low	97 Å²	97	77.6 Å²	77.6	43%	0.425	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-92.7	124	165.2	-117.1	-88.1	0	0	0	107.6	P859 L942	F857-P859 WeakPolarHBondContact O-CD 3.42Å; F857-L942 HydrophobicContact CE1-CD1 4.07Å; F857-L942 HydrophobicContact CZ-CD1 4.5Å
858	P	46.5	Very low	42.7	Very low	51 Å²	51	79.7 Å²	79.7	33%	0.331	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-67.3	117	162.7	28	-30.9	0	0	0	107.7	D860 T861	P858-D860 PolarHBondContact O-N 2.92Å; P858-T861 WeakPolarHBondContact CG-OG1 3.42Å
859	P	38.6	Very low	42.4	Very low	77 Å²	77	78.6 Å²	78.6	50%	0.5	44%	0.441	S	S	.	.	H	α-helix	trans	-65.9	-35.4	179.8	26.9	-31.5	0	0	0	110.5	F857 T861 C862 I863	F857-P859 WeakPolarHBondContact O-CD 3.42Å; P859-T861 VanDerWaalsContact C-N 3.32Å; P859-T861 PolarHBondContact O-N 2.83Å; P859-C862 WeakPolarHBondContact O-CB 3.36Å; P859-C862 PolarHBondContact O-N 3.15Å; P859-I863 WeakPolarHBondContact O-CG1 3.47Å; P859-I863 PolarHBondContact O-N 3.33Å
860	D	39.3	Very low	41.7	Very low	93 Å²	93	81.4 Å²	81.4	50%	0.497	46%	0.456	S	S	.	.	H	α-helix	trans	-63.3	-35.5	-172.7	-35.2	-61	0	0	0	112	P858 C862 I863 A864	P858-D860 PolarHBondContact O-N 2.92Å; D860-C862 VanDerWaalsContact C-N 3.33Å; D860-C862 PolarHBondContact O-N 3.05Å; D860-I863 PolarHBondContact O-N 3.42Å; D860-A864 VanDerWaalsContact O-CB 3.24Å; D860-A864 WeakPolarHBondContact O-CB 3.49Å; D860-A864 PolarHBondContact O-N 3.48Å
861	T	42.7	Very low	41.1	Very low	33 Å²	33	81.2 Å²	81.2	20%	0.202	45%	0.451	C	S	.	.	H	α-helix	trans	-70.1	-30.4	176.7	-37.2	0	0	0	0	112.1	P858 P859 L865	P858-T861 WeakPolarHBondContact CG-OG1 3.42Å; P859-T861 VanDerWaalsContact C-N 3.32Å; P859-T861 PolarHBondContact O-N 2.83Å; T861-L865 HydrophobicContact CG2-CD1 4.46Å; T861-L865 WeakPolarHBondContact O-CB 3.44Å; T861-L865 VanDerWaalsContact O-CG 3.3Å; T861-L865 WeakPolarHBondContact O-CG 3.48Å; T861-L865 PolarHBondContact O-N 2.78Å; T861-L865 VanDerWaalsContact O-N 3.11Å
862	C	40.9	Very low	40.8	Very low	54 Å²	54	84.2 Å²	84.2	37%	0.365	45%	0.449	S	S	.	.	H	α-helix	trans	-74.1	-39.6	172.6	-67.2	0	0	0	0	111.3	P859 D860 H866	P859-C862 WeakPolarHBondContact O-CB 3.36Å; P859-C862 PolarHBondContact O-N 3.15Å; D860-C862 VanDerWaalsContact C-N 3.33Å; D860-C862 PolarHBondContact O-N 3.05Å; C862-H866 VanDerWaalsContact O-CB 3.26Å; C862-H866 WeakPolarHBondContact O-CB 3.3Å; C862-H866 PolarHBondContact O-N 3.23Å
863	I	42.3	Very low	40.3	Very low	89 Å²	89	88 Å²	88	46%	0.456	47%	0.469	S	S	.	.	H	α-helix	trans	-63.6	-47.5	175	-65.5	165.6	0	0	0	109.9	P859 D860 L865 H866 Y867	P859-I863 WeakPolarHBondContact O-CG1 3.47Å; P859-I863 PolarHBondContact O-N 3.33Å; D860-I863 PolarHBondContact O-N 3.42Å; I863-L865 PolarHBondContact O-N 2.88Å; I863-H866 PolarHBondContact O-N 2.88Å; I863-H866 VanDerWaalsContact O-N 3.16Å; I863-Y867 HydrophobicContact CG2-CD2 3.72Å; I863-Y867 HydrophobicContact CG2-CE2 3.92Å; I863-Y867 WeakPolarHBondContact O-CD2 3.33Å; I863-Y867 PolarHBondContact O-N 3.32Å
864	A	43.3	Very low	39.6	Very low	49 Å²	49	86.6 Å²	86.6	41%	0.405	46%	0.462	S	S	.	.	H	α-helix	trans	-62.2	-43.5	178.1	0	0	0	0	0	112.9	D860 H866 Y867 Q868	D860-A864 VanDerWaalsContact O-CB 3.24Å; D860-A864 WeakPolarHBondContact O-CB 3.49Å; D860-A864 PolarHBondContact O-N 3.48Å; A864-H866 VanDerWaalsContact C-N 3.31Å; A864-H866 PolarHBondContact O-N 3.26Å; A864-Y867 PolarHBondContact O-N 2.89Å; A864-Q868 WeakPolarHBondContact O-CB 3.36Å; A864-Q868 WeakPolarHBondContact O-CG 3.29Å; A864-Q868 PolarHBondContact O-N 3.03Å
865	L	43.3	Very low	38.8	Very low	42 Å²	42	89.3 Å²	89.3	22%	0.22	47%	0.465	C	S	.	.	H	α-helix	trans	-67.5	-30.4	174.5	-74.7	170.4	0	0	0	112.5	T861 I863 Y869 L942	T861-L865 HydrophobicContact CG2-CD1 4.46Å; T861-L865 WeakPolarHBondContact O-CB 3.44Å; T861-L865 VanDerWaalsContact O-CG 3.3Å; T861-L865 WeakPolarHBondContact O-CG 3.48Å; T861-L865 PolarHBondContact O-N 2.78Å; T861-L865 VanDerWaalsContact O-N 3.11Å; I863-L865 PolarHBondContact O-N 2.88Å; L865-Y869 WeakPolarHBondContact O-CB 3.21Å; L865-Y869 PolarHBondContact O-N 2.89Å; L865-L942 HydrophobicContact CD1-CD2 4.19Å
866	H	43.8	Very low	38	Very low	110 Å²	110	92.3 Å²	92.3	51%	0.509	49%	0.487	S	S	.	.	H	α-helix	trans	-74.2	-44.2	175.3	-170.7	38.6	0	0	0	111.7	C862 I863 A864 Y869 L870	C862-H866 VanDerWaalsContact O-CB 3.26Å; C862-H866 WeakPolarHBondContact O-CB 3.3Å; C862-H866 PolarHBondContact O-N 3.23Å; I863-H866 PolarHBondContact O-N 2.88Å; I863-H866 VanDerWaalsContact O-N 3.16Å; A864-H866 VanDerWaalsContact C-N 3.31Å; A864-H866 PolarHBondContact O-N 3.26Å; H866-Y869 WeakPolarHBondContact O-CB 3.41Å; H866-Y869 PolarHBondContact O-N 2.92Å; H866-Y869 VanDerWaalsContact O-N 3.16Å; H866-L870 WeakPolarHBondContact O-CG 3.22Å; H866-L870 PolarHBondContact O-N 2.81Å
867	Y	40.1	Very low	37.5	Very low	150 Å²	150	96.4 Å²	96.4	59%	0.588	50%	0.495	S	S	*	.	H	α-helix	trans	-60.2	-42.1	170.2	-95.1	-85.2	0	0	0	111.8	I863 A864 Y869 L870 L871	I863-Y867 HydrophobicContact CG2-CD2 3.72Å; I863-Y867 HydrophobicContact CG2-CE2 3.92Å; I863-Y867 WeakPolarHBondContact O-CD2 3.33Å; I863-Y867 PolarHBondContact O-N 3.32Å; A864-Y867 PolarHBondContact O-N 2.89Å; Y867-Y869 VanDerWaalsContact C-N 3.33Å; Y867-Y869 PolarHBondContact O-N 3.21Å; Y867-L870 PolarHBondContact O-N 3.33Å; Y867-L871 VanDerWaalsContact O-CB 3.26Å; Y867-L871 WeakPolarHBondContact O-CB 3.24Å; Y867-L871 WeakPolarHBondContact O-CD1 3.48Å; Y867-L871 VanDerWaalsContact O-CG 3.22Å; Y867-L871 WeakPolarHBondContact O-CG 3.44Å; Y867-L871 PolarHBondContact O-N 3.05Å
868	Q	37.5	Very low	36.7	Very low	62 Å²	62	100.9 Å²	100.9	29%	0.29	52%	0.515	S	S	.	.	H	α-helix	trans	-64.6	-34.2	173.5	-82.4	-169.4	-12.6	0	0	112.9	A864 R872	A864-Q868 WeakPolarHBondContact O-CB 3.36Å; A864-Q868 WeakPolarHBondContact O-CG 3.29Å; A864-Q868 PolarHBondContact O-N 3.03Å; Q868-R872 VanDerWaalsContact O-CB 3.25Å; Q868-R872 WeakPolarHBondContact O-CB 3.35Å; Q868-R872 WeakPolarHBondContact O-CG 3.39Å; Q868-R872 PolarHBondContact O-N 3.24Å
869	Y	38.2	Very low	35.8	Very low	145 Å²	145	104.8 Å²	104.8	57%	0.569	53%	0.53	S	S	*	.	H	α-helix	trans	-67.1	-42.6	173.9	-178.8	-104.2	0	0	0	111.6	L865 H866 Y867 N873	L865-Y869 WeakPolarHBondContact O-CB 3.21Å; L865-Y869 PolarHBondContact O-N 2.89Å; H866-Y869 WeakPolarHBondContact O-CB 3.41Å; H866-Y869 PolarHBondContact O-N 2.92Å; H866-Y869 VanDerWaalsContact O-N 3.16Å; Y867-Y869 VanDerWaalsContact C-N 3.33Å; Y867-Y869 PolarHBondContact O-N 3.21Å; Y869-N873 WeakPolarHBondContact CE1-ND2 3.4Å; Y869-N873 WeakPolarHBondContact CE2-ND2 3.34Å; Y869-N873 VanDerWaalsContact CZ-ND2 3.29Å; Y869-N873 WeakPolarHBondContact O-CB 3.38Å; Y869-N873 PolarHBondContact O-N 3.28Å; Y869-N873 PolarHBondContact O-ND2 3.24Å; Y869-N873 VanDerWaalsContact O-ND2 3.09Å
870	L	35	Very low	35.2	Very low	88 Å²	88	105.3 Å²	105.3	46%	0.461	53%	0.529	S	S	.	.	H	α-helix	trans	-64.2	-49.8	174.7	-67.8	164.6	0	0	0	111	H866 Y867 R872 N873 S874	H866-L870 WeakPolarHBondContact O-CG 3.22Å; H866-L870 PolarHBondContact O-N 2.81Å; Y867-L870 PolarHBondContact O-N 3.33Å; L870-R872 PolarHBondContact O-N 3.42Å; L870-N873 PolarHBondContact O-N 2.9Å; L870-N873 VanDerWaalsContact O-N 3.09Å; L870-S874 WeakPolarHBondContact O-CB 3.2Å; L870-S874 PolarHBondContact O-N 3.08Å; L870-S874 VanDerWaalsContact O-N 3.14Å; L870-S874 PolarHBondContact O-OG 3.33Å
871	L	35.4	Very low	34.8	Very low	100 Å²	100	108.4 Å²	108.4	52%	0.524	54%	0.538	S	S	.	.	H	α-helix	trans	-65.2	-31.3	179.8	-72	165.9	0	0	0	114	Y867	Y867-L871 VanDerWaalsContact O-CB 3.26Å; Y867-L871 WeakPolarHBondContact O-CB 3.24Å; Y867-L871 WeakPolarHBondContact O-CD1 3.48Å; Y867-L871 VanDerWaalsContact O-CG 3.22Å; Y867-L871 WeakPolarHBondContact O-CG 3.44Å; Y867-L871 PolarHBondContact O-N 3.05Å
872	R	35.2	Very low	34	Very low	177 Å²	177	113.6 Å²	113.6	67%	0.668	57%	0.565	S	S	*	*	H	α-helix	trans	-76.6	-19.9	172.7	-84.8	-172.8	162.5	-174.7	-5.1	113.6	Q868 L870	Q868-R872 VanDerWaalsContact O-CB 3.25Å; Q868-R872 WeakPolarHBondContact O-CB 3.35Å; Q868-R872 WeakPolarHBondContact O-CG 3.39Å; Q868-R872 PolarHBondContact O-N 3.24Å; L870-R872 PolarHBondContact O-N 3.42Å
873	N	33.3	Very low	33.4	Very low	107 Å²	107	115.7 Å²	115.7	57%	0.572	57%	0.572	S	S	*	*	H	α-helix	trans	-97.9	-2.4	178.4	-65.1	-18.6	0	0	0	112.9	Y869 L870	Y869-N873 WeakPolarHBondContact CE1-ND2 3.4Å; Y869-N873 WeakPolarHBondContact CE2-ND2 3.34Å; Y869-N873 VanDerWaalsContact CZ-ND2 3.29Å; Y869-N873 WeakPolarHBondContact O-CB 3.38Å; Y869-N873 PolarHBondContact O-N 3.28Å; Y869-N873 PolarHBondContact O-ND2 3.24Å; Y869-N873 VanDerWaalsContact O-ND2 3.09Å; L870-N873 PolarHBondContact O-N 2.9Å; L870-N873 VanDerWaalsContact O-N 3.09Å
874	S	27.6	Very low	32.6	Very low	78 Å²	78	119.7 Å²	119.7	55%	0.545	59%	0.586	S	S	.	*	S	Bend	trans	-118	16.8	-172.3	79	0	0	0	0	114.9	L870	L870-S874 WeakPolarHBondContact O-CB 3.2Å; L870-S874 PolarHBondContact O-N 3.08Å; L870-S874 VanDerWaalsContact O-N 3.14Å; L870-S874 PolarHBondContact O-OG 3.33Å
875	K	27	Very low	31.8	Very low	169 Å²	169	123.4 Å²	123.4	74%	0.735	60%	0.595	S	S	*	*			trans	-142.7	139.9	176.5	-71.7	-166.7	175.3	-173.6	0	112.6
876	S	25.9	Very low	30.9	Very low	110 Å²	110	129 Å²	129	77%	0.769	62%	0.618	S	S	*	*			trans	64.8	142.2	-177.7	95.3	0	0	0	0	115.5
877	N	28.4	Very low	30.2	Very low	144 Å²	144	128.8 Å²	128.8	77%	0.77	63%	0.629	S	S	*	*			cis	-116.4	119.4	9.8	-57.8	-8.7	0	0	0	111.8
878	F	26.4	Very low	29.5	Very low	190 Å²	190	129 Å²	129	83%	0.833	64%	0.635	S	S	*	*			trans	-99.8	173	146.6	-121.1	-94.7	0	0	0	107
879	M	27.3	Very low	29	Very low	134 Å²	134	130 Å²	130	66%	0.66	65%	0.649	S	S	*	*			trans	74.3	133.6	-173	-44.9	-72.7	79.4	0	0	112.1
880	D	27	Very low	28.9	Very low	88 Å²	88	130.5 Å²	130.5	47%	0.471	66%	0.662	S	S	.	*			cis	-139.2	163.7	3.6	-92.2	-39.9	0	0	0	113.8
881	F	30.4	Very low	28.4	Very low	158 Å²	158	132 Å²	132	69%	0.693	67%	0.668	S	S	*	*			trans	-16.1	154.7	150.7	-64.4	-89.8	0	0	0	117.2
882	D	26.6	Very low	27.8	Very low	141 Å²	141	134.6 Å²	134.6	75%	0.754	68%	0.682	S	S	*	*				-142.5	132.6	52.3	-93.4	-44.3	0	0	0	116.6
883	D	26.8	Very low	27.3	Very low	99 Å²	99	137.4 Å²	137.4	53%	0.529	69%	0.693	S	S	.	*				50.7	115.6	114.1	-152.1	25.3	0	0	0	119.1
884	K	25.3	Very low	27	Very low	172 Å²	172	143 Å²	143	75%	0.748	71%	0.706	S	S	*	*				179	114.7	94.8	-89.4	-164.8	177.7	179.6	0	116.1
885	H	26.3	Very low	26.9	Very low	128 Å²	128	145.5 Å²	145.5	59%	0.593	71%	0.713	S	S	*	*				69.2	140.7	129.2	-92.7	-87.9	0	0	0	124.4
886	F	25.2	Very low	26.8	Very low	160 Å²	160	145 Å²	145	70%	0.702	71%	0.713	S	S	*	*			trans	64.1	140.5	162.3	-55.2	-60.3	0	0	0	118.1
887	S	29.6	Very low	26.8	Very low	104 Å²	104	147 Å²	147	73%	0.727	71%	0.714	S	S	*	*			cis	-137.1	137.9	-1.5	35.5	0	0	0	0	108.8
888	E	25.9	Very low	26.6	Very low	154 Å²	154	150.9 Å²	150.9	72%	0.72	72%	0.717	S	S	*	*				65.4	144.5	64.6	-71.4	-160	113.4	0	0	115.4
889	S	25.7	Very low	26.6	Very low	83 Å²	83	153.2 Å²	153.2	58%	0.58	72%	0.721	S	S	*	*			trans	63.4	91.5	171.2	64.8	0	0	0	0	118.5
890	N	35.7	Very low	26.5	Very low	157 Å²	157	155 Å²	155	84%	0.84	73%	0.725	S	S	*	*				-171.1	113.4	99.8	-95	-61.7	0	0	0	110.4
891	I	24.9	Very low	26.3	Very low	118 Å²	118	154.9 Å²	154.9	61%	0.605	73%	0.731	S	S	*	*			cis	114.7	112.3	22.6	-72.8	170.6	0	0	0	111.1
892	L	24.1	Very low	26.1	Very low	155 Å²	155	155.4 Å²	155.4	81%	0.812	74%	0.735	S	S	*	*			trans	67.1	154.3	157.3	-65.1	167.4	0	0	0	121.3
893	R	24.3	Very low	26.3	Very low	236 Å²	236	152 Å²	152	89%	0.891	73%	0.734	S	S	*	*			trans	67.8	113.4	172	-53.4	175.2	178.4	-176.5	-0.9	114.6
894	R	26.8	Very low	26.4	Very low	224 Å²	224	152.7 Å²	152.7	85%	0.845	74%	0.743	S	S	*	*			cis	-138.8	119.3	28.6	-74	-178.7	170.5	166.5	-2.8	112.2
895	L	24.7	Very low	26.4	Very low	132 Å²	132	151.3 Å²	151.3	69%	0.691	74%	0.743	S	S	*	*				71.5	103.7	98.8	-64	173	0	0	0	113
896	Q	26	Very low	26.4	Very low	158 Å²	158	152.9 Å²	152.9	74%	0.738	75%	0.75	S	S	*	*				97.3	111.7	61.3	-89.3	-175.5	-0.5	0	0	113.3
897	I	26.2	Very low	26.4	Very low	153 Å²	153	150.2 Å²	150.2	79%	0.785	74%	0.743	S	S	*	*				30.1	101.4	116.9	-50.9	171.4	0	0	0	116.5
898	R	23.7	Very low	26.2	Very low	224 Å²	224	148.6 Å²	148.6	85%	0.845	73%	0.732	S	S	*	*			trans	-171.7	127.9	145.1	-99	164.5	-171.8	-166.2	3	105.1
899	R	27.1	Very low	26.2	Very low	240 Å²	240	150.9 Å²	150.9	91%	0.906	73%	0.734	S	S	*	*			cis	57	77.3	20.4	-87.7	-164	-179.7	-169.7	2.1	113.9
900	K	24	Very low	26.3	Very low	172 Å²	172	151.9 Å²	151.9	75%	0.748	74%	0.74	S	S	*	*			trans	-164.3	122.7	147.2	-85.7	-158.2	173.9	-163.2	0	105
901	S	23.7	Very low	25.8	Very low	85 Å²	85	152.3 Å²	152.3	59%	0.594	74%	0.735	S	S	*	*				69.7	142.3	66.7	78.8	0	0	0	0	112.2
902	E	25.6	Very low	26	Very low	168 Å²	168	155.3 Å²	155.3	79%	0.785	74%	0.743	S	S	*	*			cis	-112.9	154.7	-4.3	-62.4	72.2	-131.1	0	0	110
903	G	29.8	Very low	26.2	Very low	71 Å²	71	153.6 Å²	153.6	73%	0.732	74%	0.735	S	S	*	*				108.7	164.6	70.4	0	0	0	0	0	110
904	P	29.8	Very low	26.4	Very low	112 Å²	112	149.9 Å²	149.9	73%	0.727	73%	0.729	S	S	*	*			cis	-133.8	-180	0.4	44.5	-28.9	0	0	0	115.2
905	I	25	Very low	26.4	Very low	144 Å²	144	144.5 Å²	144.5	74%	0.738	72%	0.718	S	S	*	*			trans	66.7	118.5	146.6	-72.2	157.9	0	0	0	120.3
906	H	26.3	Very low	26.7	Very low	160 Å²	160	142.9 Å²	142.9	74%	0.741	72%	0.717	S	S	*	*			trans	37.3	155.2	135.5	-61.6	-87.2	0	0	0	122.4
907	D	25.8	Very low	26.9	Very low	104 Å²	104	139.7 Å²	139.7	56%	0.556	72%	0.718	S	S	*	*			cis	-151.7	131.4	-5.4	-126.4	13.6	0	0	0	107.1	R909	D907-R909 IonicContact OD2-NH2 3.83Å; D907-R909 PolarHBondContact OD2-NH2 2.96Å
908	S	26	Very low	26.9	Very low	70 Å²	70	138.7 Å²	138.7	49%	0.49	71%	0.714	S	S	.	*				79.1	145.2	87.8	94.9	0	0	0	0	116.1
909	R	26.2	Very low	27.1	Very low	202 Å²	202	134.9 Å²	134.9	76%	0.762	71%	0.709	S	S	*	*			trans	68.2	141.2	166	-66.7	166.6	-102	-152.6	-3.2	115.5	D907	D907-R909 IonicContact OD2-NH2 3.83Å; D907-R909 PolarHBondContact OD2-NH2 2.96Å
910	C	27	Very low	27	Very low	104 Å²	104	128.6 Å²	128.6	70%	0.703	69%	0.693	S	S	*	*			cis	-140.7	134	-7.1	-99.2	0	0	0	0	108.1
911	F	25.7	Very low	27.2	Very low	167 Å²	167	128.7 Å²	128.7	73%	0.732	69%	0.694	S	S	*	*				80.1	136.7	67.7	-103.8	-62.4	0	0	0	115.2
912	K	28.3	Very low	27.2	Very low	181 Å²	181	129.2 Å²	129.2	79%	0.787	70%	0.698	S	S	*	*			trans	82.5	141.2	154.9	-68.2	175.4	-177.3	-177.3	0	119.6
913	N	29.1	Very low	27.2	Very low	119 Å²	119	128.4 Å²	128.4	64%	0.636	70%	0.699	S	S	*	*			cis	-174.7	178.6	-30.6	-119	35.8	0	0	0	109.1
914	M	27.5	Very low	27.1	Very low	157 Å²	157	133.7 Å²	133.7	77%	0.773	70%	0.704	S	S	*	*			trans	83.5	135.2	157.1	-54.4	-155.3	149.9	0	0	119.9
915	D	28.2	Very low	27.1	Very low	112 Å²	112	137 Å²	137	60%	0.599	71%	0.71	S	S	*	*			cis	-164.3	128.1	-28.7	-102.4	-10.1	0	0	0	105.5
916	S	29.1	Very low	27.1	Very low	98 Å²	98	135 Å²	135	69%	0.685	71%	0.707	S	S	*	*				65.7	89.2	80	89.3	0	0	0	0	115.7
917	A	31.3	Very low	27.1	Very low	91 Å²	91	133.1 Å²	133.1	75%	0.752	70%	0.702	S	S	*	*			trans	-151.7	100.3	152.4	0	0	0	0	0	107
918	N	26.7	Very low	27.2	Very low	132 Å²	132	139 Å²	139	71%	0.706	72%	0.716	S	S	*	*				82.9	116.6	86.4	-72.2	-3.6	0	0	0	111.7
919	I	27.5	Very low	27.3	Very low	143 Å²	143	143.1 Å²	143.1	73%	0.733	73%	0.725	S	S	*	*				68.6	118.5	71.4	-67	170.4	0	0	0	108.8
920	D	24.9	Very low	27.6	Very low	108 Å²	108	138.8 Å²	138.8	58%	0.578	72%	0.717	S	S	*	*			cis	-163.3	168.6	14.3	-139.7	-17.7	0	0	0	113.7
921	K	26.7	Very low	27.8	Very low	174 Å²	174	140.4 Å²	140.4	76%	0.757	71%	0.714	S	S	*	*			trans	62.9	171	148.4	-74.5	155.8	-175	135.7	0	122
922	S	25.7	Very low	28.2	Very low	97 Å²	97	139.9 Å²	139.9	68%	0.678	71%	0.714	S	S	*	*			trans	69.9	90.9	169.2	52.7	0	0	0	0	120.2
923	D	24.6	Very low	28.4	Very low	151 Å²	151	132.8 Å²	132.8	81%	0.807	69%	0.692	S	S	*	*				71.5	161.7	117.9	-54.6	-43.4	0	0	0	123.5
924	Q	28.1	Very low	28.9	Very low	182 Å²	182	132.2 Å²	132.2	85%	0.85	69%	0.686	S	S	*	*			trans	75.3	98.1	168.1	-52.6	-168.9	11.9	0	0	118	P926	Q924-P926 WeakPolarHBondContact O-CD 3.43Å
925	Q	28.4	Very low	29.4	Very low	182 Å²	182	126.9 Å²	126.9	85%	0.85	66%	0.66	S	S	*	*			trans	-56.5	138.4	144.7	-78	-172.9	-16.9	0	0	110.3
926	P	26.2	Very low	30.1	Very low	102 Å²	102	126.9 Å²	126.9	66%	0.662	66%	0.659	S	S	*	*			trans	-97.7	110.8	147.1	32.3	-26.3	0	0	0	109.6	Q924 R928	Q924-P926 WeakPolarHBondContact O-CD 3.43Å; P926-R928 VanDerWaalsContact C-N 3.29Å; P926-R928 PolarHBondContact O-N 3.2Å
927	D	25.8	Very low	30.9	Very low	120 Å²	120	125.8 Å²	125.8	64%	0.642	65%	0.649	S	S	*	*			trans	-59.4	84	169.2	-166.9	24.1	0	0	0	110.4	K929	D927-K929 PolarHBondContact O-N 2.97Å; D927-K929 WeakPolarHBondContact OD2-CE 3.22Å; D927-K929 IonicContact OD2-NZ 3.26Å
928	R	28.6	Very low	31.6	Very low	226 Å²	226	122.9 Å²	122.9	85%	0.853	62%	0.623	S	S	*	*			trans	-80.3	77.7	177.4	-76.5	-162.1	175.8	-170.9	0.8	110.7	P926 L930	P926-R928 VanDerWaalsContact C-N 3.29Å; P926-R928 PolarHBondContact O-N 3.2Å; R928-L930 VanDerWaalsContact C-N 3.32Å; R928-L930 PolarHBondContact O-N 2.91Å
929	K	28	Very low	32.5	Very low	157 Å²	157	120.3 Å²	120.3	68%	0.683	61%	0.609	S	S	*	*			trans	-48.8	96.2	153.5	-66.7	168.9	-176.7	166.5	0	108.8	D927 E931	D927-K929 PolarHBondContact O-N 2.97Å; D927-K929 WeakPolarHBondContact OD2-CE 3.22Å; D927-K929 IonicContact OD2-NZ 3.26Å; K929-E931 PolarHBondContact O-N 2.93Å
930	L	31.8	Very low	33.5	Very low	112 Å²	112	118.9 Å²	118.9	59%	0.586	60%	0.598	S	S	*	*			trans	-67.8	103.9	165.6	-154.8	76.9	0	0	0	105.9	R928 E934	R928-L930 VanDerWaalsContact C-N 3.32Å; R928-L930 PolarHBondContact O-N 2.91Å; L930-E934 WeakPolarHBondContact CD1-OE1 3.43Å; L930-E934 WeakPolarHBondContact CD1-OE2 3.34Å; L930-E934 WeakPolarHBondContact CG-OE2 3.32Å
931	E	32.4	Very low	34.6	Very low	137 Å²	137	117.4 Å²	117.4	64%	0.64	59%	0.59	S	S	*	*			trans	-61.6	156	-154.9	-63.1	-169.7	144.7	0	0	112.8	K929 G933 E934 L935	K929-E931 PolarHBondContact O-N 2.93Å; E931-G933 PolarHBondContact O-N 3.36Å; E931-E934 PolarHBondContact O-N 3.48Å; E931-L935 PolarHBondContact O-N 2.64Å
932	E	32.5	Very low	35.7	Very low	157 Å²	157	111.8 Å²	111.8	73%	0.734	57%	0.568	S	S	*	*	H	α-helix	trans	-53.7	-23.9	164.2	-64.5	-166.1	117.3	0	0	111.5	L935 L936	E932-L935 PolarHBondContact O-N 3.35Å; E932-L936 WeakPolarHBondContact O-CB 3.42Å; E932-L936 WeakPolarHBondContact O-CD1 3.42Å; E932-L936 VanDerWaalsContact O-CG 3.24Å; E932-L936 WeakPolarHBondContact O-CG 3.33Å; E932-L936 PolarHBondContact O-N 2.91Å
933	G	34.2	Very low	37.2	Very low	32 Å²	32	110.4 Å²	110.4	33%	0.33	55%	0.552	S	S	.	*	H	α-helix	trans	-57.1	-42.2	168.8	0	0	0	0	0	114.7	E931 T937	E931-G933 PolarHBondContact O-N 3.36Å; G933-T937 WeakPolarHBondContact O-CB 3.39Å; G933-T937 PolarHBondContact O-N 3.23Å; G933-T937 PolarHBondContact O-OG1 3.45Å
934	E	38.1	Very low	38.8	Very low	107 Å²	107	105.7 Å²	105.7	50%	0.5	53%	0.529	S	S	.	.	H	α-helix	trans	-72.9	-36.1	177	-78.3	-169.2	-146.9	0	0	112.1	L930 E931 T937 S938	L930-E934 WeakPolarHBondContact CD1-OE1 3.43Å; L930-E934 WeakPolarHBondContact CD1-OE2 3.34Å; L930-E934 WeakPolarHBondContact CG-OE2 3.32Å; E931-E934 PolarHBondContact O-N 3.48Å; E934-T937 PolarHBondContact O-N 3.38Å; E934-S938 WeakPolarHBondContact O-CB 3.23Å; E934-S938 PolarHBondContact O-N 2.87Å; E934-S938 PolarHBondContact O-OG 3.16Å
935	L	37.8	Very low	40	Very low	44 Å²	44	98.6 Å²	98.6	23%	0.23	50%	0.498	C	S	.	.	H	α-helix	trans	-70.8	-43.1	177.4	-156.5	159.7	0	0	0	110.5	E931 E932 S938 L939	E931-L935 PolarHBondContact O-N 2.64Å; E932-L935 PolarHBondContact O-N 3.35Å; L935-S938 PolarHBondContact O-N 3.42Å; L935-L939 WeakPolarHBondContact O-CB 3.27Å; L935-L939 PolarHBondContact O-N 3.18Å
936	L	43.6	Very low	41.1	Very low	112 Å²	112	97.3 Å²	97.3	59%	0.586	49%	0.485	S	S	*	.	H	α-helix	trans	-61.4	-42.1	169.3	-79.4	165.6	0	0	0	111.5	E932 L939 F940	E932-L936 WeakPolarHBondContact O-CB 3.42Å; E932-L936 WeakPolarHBondContact O-CD1 3.42Å; E932-L936 VanDerWaalsContact O-CG 3.24Å; E932-L936 WeakPolarHBondContact O-CG 3.33Å; E932-L936 PolarHBondContact O-N 2.91Å; L936-L939 PolarHBondContact O-N 3.34Å; L936-F940 WeakPolarHBondContact O-CA 3.47Å; L936-F940 WeakPolarHBondContact O-CB 3.39Å; L936-F940 PolarHBondContact O-N 3.37Å
937	T	46.2	Very low	42.7	Very low	75 Å²	75	97.8 Å²	97.8	46%	0.46	48%	0.477	S	S	.	.	H	α-helix	trans	-66.2	-41.3	178.1	-64.6	0	0	0	0	111.2	G933 E934 F940 N941	G933-T937 WeakPolarHBondContact O-CB 3.39Å; G933-T937 PolarHBondContact O-N 3.23Å; G933-T937 PolarHBondContact O-OG1 3.45Å; E934-T937 PolarHBondContact O-N 3.38Å; T937-F940 PolarHBondContact O-N 3.24Å; T937-N941 WeakPolarHBondContact O-CB 3.39Å; T937-N941 PolarHBondContact O-N 3.07Å; T937-N941 PolarHBondContact O-ND2 3Å
938	S	44.9	Very low	44.4	Very low	31 Å²	31	94 Å²	94	22%	0.217	46%	0.462	C	S	.	.	H	α-helix	trans	-63.9	-44.2	174.6	-63.1	0	0	0	0	111.9	E934 L935 N941 L942	E934-S938 WeakPolarHBondContact O-CB 3.23Å; E934-S938 PolarHBondContact O-N 2.87Å; E934-S938 PolarHBondContact O-OG 3.16Å; L935-S938 PolarHBondContact O-N 3.42Å; S938-N941 PolarHBondContact O-N 2.77Å; S938-L942 WeakPolarHBondContact O-CB 3.28Å; S938-L942 PolarHBondContact O-N 3.22Å
939	L	45.4	Very low	45.8	Very low	78 Å²	78	85.8 Å²	85.8	41%	0.408	43%	0.433	S	S	.	.	H	α-helix	trans	-66.9	-38.9	175.5	-162.4	79.7	0	0	0	111.8	L935 L936 L942 I943	L935-L939 WeakPolarHBondContact O-CB 3.27Å; L935-L939 PolarHBondContact O-N 3.18Å; L936-L939 PolarHBondContact O-N 3.34Å; L939-L942 PolarHBondContact O-N 3.47Å; L939-I943 HydrophobicContact CD2-CD1 4.39Å; L939-I943 HydrophobicContact CG-CD1 4.12Å; L939-I943 WeakPolarHBondContact O-CB 3.48Å; L939-I943 WeakPolarHBondContact O-CD1 3.35Å; L939-I943 WeakPolarHBondContact O-CG1 3.42Å; L939-I943 PolarHBondContact O-N 3.11Å
940	F	48.8	Very low	47.5	Very low	113 Å²	113	83.2 Å²	83.2	50%	0.496	43%	0.426	S	S	.	.	H	α-helix	trans	-66.9	-42.5	176.8	-168.6	-95.3	0	0	0	110.5	L936 T937 I943 T944	L936-F940 WeakPolarHBondContact O-CA 3.47Å; L936-F940 WeakPolarHBondContact O-CB 3.39Å; L936-F940 PolarHBondContact O-N 3.37Å; T937-F940 PolarHBondContact O-N 3.24Å; F940-I943 CarbonylContact O-C 3.58Å; F940-I943 PolarHBondContact O-N 3.12Å; F940-I943 VanDerWaalsContact O-N 3.12Å; F940-T944 HydrophobicContact CD1-CG2 3.7Å; F940-T944 HydrophobicContact CE1-CG2 3.53Å; F940-T944 HydrophobicContact CG-CG2 4.4Å; F940-T944 HydrophobicContact CZ-CG2 4.12Å; F940-T944 WeakPolarHBondContact O-CB 3.33Å; F940-T944 WeakPolarHBondContact O-CG2 3.32Å; F940-T944 PolarHBondContact O-N 3.31Å; F940-T944 PolarHBondContact O-OG1 3.45Å; F940-T944 VanDerWaalsContact O-OG1 3.1Å
941	N	48.1	Very low	49.2	Very low	77 Å²	77	84.2 Å²	84.2	41%	0.412	43%	0.426	S	S	.	.	H	α-helix	trans	-63.9	-38.3	174.2	-74.9	-17.5	0	0	0	112.2	T937 S938 T944 T945	T937-N941 WeakPolarHBondContact O-CB 3.39Å; T937-N941 PolarHBondContact O-N 3.07Å; T937-N941 PolarHBondContact O-ND2 3Å; S938-N941 PolarHBondContact O-N 2.77Å; N941-T944 WeakPolarHBondContact CA-OG1 3.43Å; N941-T944 PolarHBondContact O-OG1 2.75Å; N941-T945 WeakPolarHBondContact O-CB 3.41Å; N941-T945 WeakPolarHBondContact O-CG2 3.41Å; N941-T945 PolarHBondContact O-N 2.79Å; N941-T945 PolarHBondContact O-OG1 3.33Å
942	L	51.1	Low	51	Low	56 Å²	56	79 Å²	79	29%	0.293	40%	0.401	S	S	.	.	H	α-helix	trans	-64	-41.6	170.2	-166.9	74.6	0	0	0	111.4	F857 L865 S938 L939 T945 R946	F857-L942 HydrophobicContact CE1-CD1 4.07Å; F857-L942 HydrophobicContact CZ-CD1 4.5Å; L865-L942 HydrophobicContact CD1-CD2 4.19Å; S938-L942 WeakPolarHBondContact O-CB 3.28Å; S938-L942 PolarHBondContact O-N 3.22Å; L939-L942 PolarHBondContact O-N 3.47Å; L942-T945 PolarHBondContact O-OG1 3.02Å; L942-T945 VanDerWaalsContact O-OG1 3.07Å; L942-R946 WeakPolarHBondContact O-CB 3.21Å; L942-R946 PolarHBondContact O-N 3.48Å
943	I	56.9	Low	52.6	Low	68 Å²	68	79.1 Å²	79.1	35%	0.349	40%	0.395	S	S	.	.	H	α-helix	trans	-71.2	-37.3	178.6	-72.3	165.6	0	0	0	111.9	L939 F940 K947	L939-I943 HydrophobicContact CD2-CD1 4.39Å; L939-I943 HydrophobicContact CG-CD1 4.12Å; L939-I943 WeakPolarHBondContact O-CB 3.48Å; L939-I943 WeakPolarHBondContact O-CD1 3.35Å; L939-I943 WeakPolarHBondContact O-CG1 3.42Å; L939-I943 PolarHBondContact O-N 3.11Å; F940-I943 CarbonylContact O-C 3.58Å; F940-I943 PolarHBondContact O-N 3.12Å; F940-I943 VanDerWaalsContact O-N 3.12Å; I943-K947 HydrophobicContact CG2-CD 3.9Å; I943-K947 VanDerWaalsContact CG2-CE 3.49Å; I943-K947 VanDerWaalsContact O-CB 3.26Å; I943-K947 WeakPolarHBondContact O-CB 3.37Å; I943-K947 WeakPolarHBondContact O-CD 3.31Å; I943-K947 WeakPolarHBondContact O-CG 3.44Å; I943-K947 PolarHBondContact O-N 3.12Å
944	T	57.3	Low	54.3	Low	52 Å²	52	81 Å²	81	32%	0.319	40%	0.397	S	S	.	.	H	α-helix	trans	-74.7	-42.4	178.3	55.8	0	0	0	0	111.1	F940 N941 K947 A948	F940-T944 HydrophobicContact CD1-CG2 3.7Å; F940-T944 HydrophobicContact CE1-CG2 3.53Å; F940-T944 HydrophobicContact CG-CG2 4.4Å; F940-T944 HydrophobicContact CZ-CG2 4.12Å; F940-T944 WeakPolarHBondContact O-CB 3.33Å; F940-T944 WeakPolarHBondContact O-CG2 3.32Å; F940-T944 PolarHBondContact O-N 3.31Å; F940-T944 PolarHBondContact O-OG1 3.45Å; F940-T944 VanDerWaalsContact O-OG1 3.1Å; N941-T944 WeakPolarHBondContact CA-OG1 3.43Å; N941-T944 PolarHBondContact O-OG1 2.75Å; T944-K947 CarbonylContact O-C 3.55Å; T944-K947 PolarHBondContact O-N 2.85Å; T944-A948 WeakPolarHBondContact O-CB 3.46Å; T944-A948 PolarHBondContact O-N 2.91Å
945	T	53.7	Low	55.6	Low	33 Å²	33	83.4 Å²	83.4	20%	0.202	40%	0.402	C	S	.	.	H	α-helix	trans	-61.8	-43.1	171.3	51.8	0	0	0	0	111.4	N941 L942 K947 A948 Q949	N941-T945 WeakPolarHBondContact O-CB 3.41Å; N941-T945 WeakPolarHBondContact O-CG2 3.41Å; N941-T945 PolarHBondContact O-N 2.79Å; N941-T945 PolarHBondContact O-OG1 3.33Å; L942-T945 PolarHBondContact O-OG1 3.02Å; L942-T945 VanDerWaalsContact O-OG1 3.07Å; T945-K947 PolarHBondContact O-N 3.13Å; T945-A948 PolarHBondContact O-N 3.43Å; T945-Q949 WeakPolarHBondContact O-CG 3.37Å; T945-Q949 PolarHBondContact O-N 3.49Å
946	R	52.6	Low	57	Low	155 Å²	155	85.6 Å²	85.6	59%	0.585	41%	0.41	S	S	*	.	H	α-helix	trans	-61.3	-44.4	173.5	-163.9	72.4	162.2	-168.7	-7.2	112.1	L942 A948 L950	L942-R946 WeakPolarHBondContact O-CB 3.21Å; L942-R946 PolarHBondContact O-N 3.48Å; R946-A948 VanDerWaalsContact C-N 3.35Å; R946-L950 WeakPolarHBondContact O-CG 3.4Å; R946-L950 PolarHBondContact O-N 3.18Å
947	K	59.7	Low	58.2	Low	112 Å²	112	87.4 Å²	87.4	49%	0.487	41%	0.409	S	S	.	.	H	α-helix	trans	-64	-36.7	173.2	-77.6	168.3	-179	170.2	0	111.9	I943 T944 T945 L950 K951	I943-K947 HydrophobicContact CG2-CD 3.9Å; I943-K947 VanDerWaalsContact CG2-CE 3.49Å; I943-K947 VanDerWaalsContact O-CB 3.26Å; I943-K947 WeakPolarHBondContact O-CB 3.37Å; I943-K947 WeakPolarHBondContact O-CD 3.31Å; I943-K947 WeakPolarHBondContact O-CG 3.44Å; I943-K947 PolarHBondContact O-N 3.12Å; T944-K947 CarbonylContact O-C 3.55Å; T944-K947 PolarHBondContact O-N 2.85Å; T945-K947 PolarHBondContact O-N 3.13Å; K947-L950 PolarHBondContact O-N 3.34Å; K947-K951 WeakPolarHBondContact O-CB 3.14Å; K947-K951 WeakPolarHBondContact O-CG 3.37Å; K947-K951 PolarHBondContact O-N 3.27Å
948	A	59.7	Low	59.3	Low	39 Å²	39	91.5 Å²	91.5	32%	0.322	42%	0.416	S	S	.	.	H	α-helix	trans	-70	-42.5	178.2	0	0	0	0	0	111.4	T944 T945 R946 L950 K951 H952	T944-A948 WeakPolarHBondContact O-CB 3.46Å; T944-A948 PolarHBondContact O-N 2.91Å; T945-A948 PolarHBondContact O-N 3.43Å; R946-A948 VanDerWaalsContact C-N 3.35Å; A948-L950 PolarHBondContact O-N 2.97Å; A948-K951 PolarHBondContact O-N 3.04Å; A948-H952 WeakPolarHBondContact O-CB 3.48Å; A948-H952 PolarHBondContact O-N 3.08Å
949	Q	59.8	Low	60.5	Low	55 Å²	55	91.2 Å²	91.2	26%	0.257	41%	0.412	S	S	.	.	H	α-helix	trans	-61.9	-40.5	172.5	-74.6	176.8	-2.2	0	0	111.9	P855 T945 H952 R953	P855-Q949 HydrophobicContact CG-CG 3.91Å; P855-Q949 PolarHBondContact O-NE2 3.27Å; T945-Q949 WeakPolarHBondContact O-CG 3.37Å; T945-Q949 PolarHBondContact O-N 3.49Å; Q949-H952 PolarHBondContact O-N 3.19Å; Q949-R953 WeakPolarHBondContact O-CB 3.2Å; Q949-R953 PolarHBondContact O-N 2.73Å
950	L	63.9	Low	61.4	Low	103 Å²	103	92 Å²	92	54%	0.539	42%	0.415	S	S	.	.	H	α-helix	trans	-67.1	-48.4	173.8	-70.1	170.8	0	0	0	111.9	R946 K947 A948 H952 R953 D954	R946-L950 WeakPolarHBondContact O-CG 3.4Å; R946-L950 PolarHBondContact O-N 3.18Å; K947-L950 PolarHBondContact O-N 3.34Å; A948-L950 PolarHBondContact O-N 2.97Å; L950-H952 VanDerWaalsContact C-N 3.25Å; L950-H952 PolarHBondContact O-N 2.88Å; L950-R953 PolarHBondContact O-N 2.7Å; L950-D954 PolarHBondContact O-N 3.38Å
951	K	67.2	Low	62.3	Low	133 Å²	133	92 Å²	92	58%	0.578	42%	0.415	S	S	*	.	H	α-helix	trans	-56	-39.4	172.3	-79.4	-179.4	176.5	-176.5	0	111.4	K947 A948 D954 R955	K947-K951 WeakPolarHBondContact O-CB 3.14Å; K947-K951 WeakPolarHBondContact O-CG 3.37Å; K947-K951 PolarHBondContact O-N 3.27Å; A948-K951 PolarHBondContact O-N 3.04Å; K951-D954 PolarHBondContact O-N 2.96Å; K951-R955 VanDerWaalsContact O-CB 3.3Å; K951-R955 WeakPolarHBondContact O-CB 3.47Å; K951-R955 PolarHBondContact O-N 3.35Å
952	H	69.8	Low	63	Low	26 Å²	26	95.6 Å²	95.6	12%	0.12	42%	0.423	C	S	.	.	H	α-helix	trans	-68.2	-46.5	177.7	178.2	-127.2	0	0	0	111.7	A948 Q949 L950 D954 R955 K956	A948-H952 WeakPolarHBondContact O-CB 3.48Å; A948-H952 PolarHBondContact O-N 3.08Å; Q949-H952 PolarHBondContact O-N 3.19Å; L950-H952 VanDerWaalsContact C-N 3.25Å; L950-H952 PolarHBondContact O-N 2.88Å; H952-D954 VanDerWaalsContact C-N 3.25Å; H952-D954 PolarHBondContact O-N 3.06Å; H952-R955 PolarHBondContact O-N 2.77Å; H952-R955 VanDerWaalsContact O-N 3.09Å; H952-K956 WeakPolarHBondContact O-CB 3.27Å; H952-K956 PolarHBondContact O-N 3.21Å
953	R	65.6	Low	63.5	Low	161 Å²	161	93.5 Å²	93.5	61%	0.608	41%	0.412	S	S	*	.	H	α-helix	trans	-58.1	-39.4	174.6	-166	174.3	-170.1	171.1	4	111.4	Q949 L950 R957	Q949-R953 WeakPolarHBondContact O-CB 3.2Å; Q949-R953 PolarHBondContact O-N 2.73Å; L950-R953 PolarHBondContact O-N 2.7Å; R953-R957 WeakPolarHBondContact O-CB 3.27Å; R953-R957 WeakPolarHBondContact O-CG 3.39Å; R953-R957 PolarHBondContact O-N 3.49Å
954	D	69.3	Low	63.3	Low	70 Å²	70	93 Å²	93	37%	0.374	41%	0.41	S	S	.	.	H	α-helix	trans	-77.9	-26	175.2	-80.6	-7.6	0	0	0	114.3	L950 K951 H952 R957 R958	L950-D954 PolarHBondContact O-N 3.38Å; K951-D954 PolarHBondContact O-N 2.96Å; H952-D954 VanDerWaalsContact C-N 3.25Å; H952-D954 PolarHBondContact O-N 3.06Å; D954-R957 IonicContact OD1-NH1 2.72Å; D954-R958 WeakPolarHBondContact O-CB 3.49Å; D954-R958 VanDerWaalsContact O-CG 3.28Å; D954-R958 WeakPolarHBondContact O-CG 3.46Å; D954-R958 PolarHBondContact O-N 2.91Å; D954-R958 PolarHBondContact O-NE 3.27Å
955	R	66.8	Low	63.3	Low	159 Å²	159	92.3 Å²	92.3	60%	0.6	41%	0.405	S	S	*	.	H	α-helix	trans	-70.8	-42.9	170.5	-167.1	176.3	-172.8	172.3	2.6	110.1	K951 H952 R958 L959	K951-R955 VanDerWaalsContact O-CB 3.3Å; K951-R955 WeakPolarHBondContact O-CB 3.47Å; K951-R955 PolarHBondContact O-N 3.35Å; H952-R955 PolarHBondContact O-N 2.77Å; H952-R955 VanDerWaalsContact O-N 3.09Å; R955-R958 PolarHBondContact O-N 3.29Å; R955-L959 HydrophobicContact CG-CD1 4.31Å; R955-L959 WeakPolarHBondContact O-CB 3.47Å; R955-L959 PolarHBondContact O-N 2.81Å
956	K	67.7	Low	63.5	Low	89 Å²	89	94.1 Å²	94.1	39%	0.387	41%	0.411	S	S	.	.	H	α-helix	trans	-65.2	-43.2	174.1	-162.8	159.6	-173.6	160.3	0	111.3	L849 H952 L959 L960	L849-K956 HydrophobicContact CD2-CG 4.29Å; L849-K956 HydrophobicContact CG-CG 4.46Å; H952-K956 WeakPolarHBondContact O-CB 3.27Å; H952-K956 PolarHBondContact O-N 3.21Å; K956-L959 PolarHBondContact O-N 2.64Å; K956-L960 VanDerWaalsContact O-CB 3.29Å; K956-L960 WeakPolarHBondContact O-CB 3.13Å; K956-L960 PolarHBondContact O-N 3.06Å
957	R	67.8	Low	63.2	Low	151 Å²	151	91 Å²	91	57%	0.57	41%	0.409	S	S	*	.	H	α-helix	trans	-60.6	-44.1	169.7	-79.7	171.3	161	177.1	-8.1	113.1	R953 D954 L960 K961	R953-R957 WeakPolarHBondContact O-CB 3.27Å; R953-R957 WeakPolarHBondContact O-CG 3.39Å; R953-R957 PolarHBondContact O-N 3.49Å; D954-R957 IonicContact OD1-NH1 2.72Å; R957-L960 PolarHBondContact O-N 2.9Å; R957-K961 PolarHBondContact O-N 3.05Å
958	R	70.2	Confident	62.1	Low	160 Å²	160	87 Å²	87	60%	0.604	40%	0.396	S	S	*	.	H	α-helix	trans	-67.8	-39.2	178	-82.6	-179.7	-90.4	-172.9	-11.7	112.6	D954 R955 R962	D954-R958 WeakPolarHBondContact O-CB 3.49Å; D954-R958 VanDerWaalsContact O-CG 3.28Å; D954-R958 WeakPolarHBondContact O-CG 3.46Å; D954-R958 PolarHBondContact O-N 2.91Å; D954-R958 PolarHBondContact O-NE 3.27Å; R955-R958 PolarHBondContact O-N 3.29Å; R958-R962 VanDerWaalsContact O-CB 3.31Å; R958-R962 WeakPolarHBondContact O-CB 3.13Å; R958-R962 WeakPolarHBondContact O-CG 3.46Å; R958-R962 PolarHBondContact O-N 3.24Å
959	L	68.4	Low	60.8	Low	25 Å²	25	86.8 Å²	86.8	13%	0.131	40%	0.397	C	S	.	.	H	α-helix	trans	-65.3	-43	172.4	-84.2	161.1	0	0	0	111.3	L849 L852 R955 K956 R962 L963	L849-L959 HydrophobicContact CD1-CB 4.1Å; L852-L959 HydrophobicContact CD1-CD1 3.52Å; R955-L959 HydrophobicContact CG-CD1 4.31Å; R955-L959 WeakPolarHBondContact O-CB 3.47Å; R955-L959 PolarHBondContact O-N 2.81Å; K956-L959 PolarHBondContact O-N 2.64Å; L959-R962 CarbonylContact O-C 3.58Å; L959-R962 PolarHBondContact O-N 2.91Å; L959-L963 WeakPolarHBondContact O-CB 3.44Å; L959-L963 PolarHBondContact O-N 3.27Å
960	L	66	Low	59.5	Low	94 Å²	94	89.6 Å²	89.6	49%	0.492	41%	0.414	S	S	.	.	H	α-helix	trans	-62	-46.6	175.3	-166.8	70.4	0	0	0	111.8	L849 K956 R957 R962 L963 I964	L849-L960 HydrophobicContact CD1-CB 4.31Å; L849-L960 HydrophobicContact CD1-CD1 4.2Å; K956-L960 VanDerWaalsContact O-CB 3.29Å; K956-L960 WeakPolarHBondContact O-CB 3.13Å; K956-L960 PolarHBondContact O-N 3.06Å; R957-L960 PolarHBondContact O-N 2.9Å; L960-R962 VanDerWaalsContact C-N 3.29Å; L960-R962 PolarHBondContact O-N 3.45Å; L960-L963 PolarHBondContact O-N 3.34Å; L960-I964 HydrophobicContact CG-CD1 4.13Å; L960-I964 WeakPolarHBondContact O-CB 3.46Å; L960-I964 VanDerWaalsContact O-CG1 3.28Å; L960-I964 WeakPolarHBondContact O-CG1 3.46Å; L960-I964 PolarHBondContact O-N 2.89Å
961	K	66.7	Low	58	Low	113 Å²	113	92.2 Å²	92.2	49%	0.491	43%	0.434	S	S	.	.	H	α-helix	trans	-65.6	-29.9	175.9	-167.6	164.5	-175.3	169.7	0	112.5	R957 T965 E1593	R957-K961 PolarHBondContact O-N 3.05Å; K961-T965 PolarHBondContact O-N 2.82Å; K961-T965 VanDerWaalsContact O-N 3.11Å; K961-T965 PolarHBondContact O-OG1 3.16Å; K961-E1593 WeakPolarHBondContact CE-OE2 3.35Å; K961-E1593 IonicContact NZ-OE1 2.59Å; K961-E1593 PolarHBondContact NZ-OE1 2.81Å; K961-E1593 IonicContact NZ-OE2 3.32Å; K961-E1593 PolarHBondContact NZ-OE2 2.89Å
962	R	63.9	Low	56.2	Low	154 Å²	154	90.2 Å²	90.2	58%	0.581	44%	0.441	S	S	*	.	H	α-helix	trans	-72.3	-41.4	171.7	-81.5	-179	175.8	-179.6	-1.8	113.2	R958 L959 L960 T965 E966	R958-R962 VanDerWaalsContact O-CB 3.31Å; R958-R962 WeakPolarHBondContact O-CB 3.13Å; R958-R962 WeakPolarHBondContact O-CG 3.46Å; R958-R962 PolarHBondContact O-N 3.24Å; L959-R962 CarbonylContact O-C 3.58Å; L959-R962 PolarHBondContact O-N 2.91Å; L960-R962 VanDerWaalsContact C-N 3.29Å; L960-R962 PolarHBondContact O-N 3.45Å; R962-T965 WeakPolarHBondContact CA-OG1 3.21Å; R962-T965 CarbonylContact O-C 3.58Å; R962-T965 PolarHBondContact O-N 3.41Å; R962-T965 PolarHBondContact O-OG1 2.74Å; R962-E966 PolarHBondContact O-N 3.23Å
963	L	60.1	Low	54.2	Low	11 Å²	11	95 Å²	95	6%	0.058	47%	0.468	C	S	.	.	H	α-helix	trans	-59.4	-49.1	171.7	-105	159.9	0	0	0	110.7	R845 L846 L849 L959 L960 T965 E966 V967	R845-L963 HydrophobicContact CB-CD1 4.41Å; R845-L963 HydrophobicContact CB-CD2 4.39Å; R845-L963 HydrophobicContact CB-CG 3.96Å; R845-L963 WeakPolarHBondContact O-CD1 3.41Å; L846-L963 HydrophobicContact CB-CD1 4.43Å; L846-L963 HydrophobicContact CB-CD2 4.39Å; L846-L963 HydrophobicContact CD1-CD2 4.25Å; L846-L963 HydrophobicContact CG-CD1 3.95Å; L846-L963 HydrophobicContact CG-CD2 3.94Å; L849-L963 HydrophobicContact CB-CD1 4.46Å; L849-L963 HydrophobicContact CD1-CD1 3.66Å; L959-L963 WeakPolarHBondContact O-CB 3.44Å; L959-L963 PolarHBondContact O-N 3.27Å; L960-L963 PolarHBondContact O-N 3.34Å; L963-T965 PolarHBondContact O-N 2.9Å; L963-E966 PolarHBondContact O-N 2.81Å; L963-E966 VanDerWaalsContact O-N 3.12Å; L963-V967 HydrophobicContact CD2-CG2 4.24Å; L963-V967 WeakPolarHBondContact O-CB 3.49Å; L963-V967 WeakPolarHBondContact O-CG2 3.37Å; L963-V967 PolarHBondContact O-N 3.12Å
964	I	52.5	Low	52.6	Low	58 Å²	58	95.8 Å²	95.8	30%	0.297	48%	0.478	S	S	.	.	H	α-helix	trans	-58.5	-36	176.2	-68.7	164.5	0	0	0	111.1	L960 C968	L960-I964 HydrophobicContact CG-CD1 4.13Å; L960-I964 WeakPolarHBondContact O-CB 3.46Å; L960-I964 VanDerWaalsContact O-CG1 3.28Å; L960-I964 WeakPolarHBondContact O-CG1 3.46Å; L960-I964 PolarHBondContact O-N 2.89Å; I964-C968 WeakPolarHBondContact O-CB 3.34Å; I964-C968 PolarHBondContact O-N 2.94Å; I964-C968 PolarHBondContact O-SG 2.89Å
965	T	58.6	Low	50.7	Low	37 Å²	37	102.6 Å²	102.6	23%	0.227	51%	0.505	C	S	.	.	H	α-helix	trans	-84.6	-7.6	178.3	41	0	0	0	0	115.9	K961 R962 L963 G969	K961-T965 PolarHBondContact O-N 2.82Å; K961-T965 VanDerWaalsContact O-N 3.11Å; K961-T965 PolarHBondContact O-OG1 3.16Å; R962-T965 WeakPolarHBondContact CA-OG1 3.21Å; R962-T965 CarbonylContact O-C 3.58Å; R962-T965 PolarHBondContact O-N 3.41Å; R962-T965 PolarHBondContact O-OG1 2.74Å; L963-T965 PolarHBondContact O-N 2.9Å; T965-G969 WeakPolarHBondContact O-CA 3.33Å
966	E	56.6	Low	48.7	Very low	71 Å²	71	106 Å²	106	33%	0.332	52%	0.518	S	S	.	.	H	α-helix	trans	-92.8	-48.3	165	-89.9	168.1	162.6	0	0	111.8	H843 R845 R962 L963 C968 G969	H843-E966 IonicContact CE1-OE2 2.7Å; H843-E966 PolarHBondContact CE1-OE2 3.27Å; R845-E966 WeakPolarHBondContact CD-OE2 3.42Å; R845-E966 IonicContact CZ-OE1 2.72Å; R845-E966 IonicContact CZ-OE2 2.72Å; R845-E966 IonicContact NE-OE1 2.69Å; R845-E966 IonicContact NE-OE2 2.69Å; R845-E966 PolarHBondContact NE-OE2 2.82Å; R845-E966 IonicContact NH1-OE1 3.68Å; R845-E966 PolarHBondContact NH1-OE1 3.49Å; R845-E966 IonicContact NH1-OE2 3.55Å; R845-E966 PolarHBondContact NH1-OE2 2.83Å; R845-E966 IonicContact NH2-OE1 3.6Å; R845-E966 PolarHBondContact NH2-OE1 3.29Å; R845-E966 IonicContact NH2-OE2 3.44Å; R962-E966 PolarHBondContact O-N 3.23Å; L963-E966 PolarHBondContact O-N 2.81Å; L963-E966 VanDerWaalsContact O-N 3.12Å; E966-C968 PolarHBondContact O-N 2.9Å; E966-G969 WeakPolarHBondContact O-CA 3.41Å; E966-G969 PolarHBondContact O-N 2.87Å
967	V	46.7	Very low	46.8	Very low	89 Å²	89	106.9 Å²	106.9	54%	0.539	54%	0.535	S	S	.	.	H	α-helix	trans	-61.1	-29.6	176.3	175.6	0	0	0	0	111.3	L963	L963-V967 HydrophobicContact CD2-CG2 4.24Å; L963-V967 WeakPolarHBondContact O-CB 3.49Å; L963-V967 WeakPolarHBondContact O-CG2 3.37Å; L963-V967 PolarHBondContact O-N 3.12Å
968	C	37	Very low	44.9	Very low	30 Å²	30	110 Å²	110	20%	0.203	55%	0.553	C	S	.	*	T	Hydrogen-bonded Turn	trans	-100.5	26.6	171.9	-50.2	0	0	0	0	113.2	I964 E966 L1590 P1592	I964-C968 WeakPolarHBondContact O-CB 3.34Å; I964-C968 PolarHBondContact O-N 2.94Å; I964-C968 PolarHBondContact O-SG 2.89Å; E966-C968 PolarHBondContact O-N 2.9Å; C968-L1590 HydrophobicContact CB-CD2 4.31Å; C968-P1592 HydrophobicContact CB-CG 3.99Å
969	G	31.8	Very low	42.8	Very low	33 Å²	33	107.6 Å²	107.6	34%	0.34	56%	0.56	S	S	.	*			trans	-123.8	55.3	-155.7	0	0	0	0	0	118.4	T965 E966	T965-G969 WeakPolarHBondContact O-CA 3.33Å; E966-G969 WeakPolarHBondContact O-CA 3.41Å; E966-G969 PolarHBondContact O-N 2.87Å
970	N	33.6	Very low	40.9	Very low	115 Å²	115	116.1 Å²	116.1	62%	0.615	59%	0.591	S	S	*	*			trans	-152.2	19	161.7	-123.6	-11.3	0	0	0	119.3	A972	N970-A972 PolarHBondContact O-N 3.26Å
971	V	31.9	Very low	39	Very low	158 Å²	158	118.1 Å²	118.1	96%	0.958	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	23.6	178.4	-161.8	0	0	0	0	112.9
972	A	29.7	Very low	37.2	Very low	90 Å²	90	118.9 Å²	118.9	74%	0.744	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.5	-12.7	-174.9	0	0	0	0	0	115.2	N970	N970-A972 PolarHBondContact O-N 3.26Å
973	N	28.5	Very low	35.6	Very low	126 Å²	126	117.8 Å²	117.8	67%	0.674	61%	0.613	S	S	*	*	S	Bend	trans	-132.1	22.1	-171.2	-87.1	-31.9	0	0	0	115
974	Q	30.7	Very low	34.1	Very low	178 Å²	178	123.6 Å²	123.6	83%	0.832	65%	0.649	S	S	*	*	S	Bend	trans	-114.1	48.9	168.1	-79.9	-166.7	-19.2	0	0	113.5
975	K	29.3	Very low	33.2	Very low	213 Å²	213	126.2 Å²	126.2	93%	0.926	67%	0.669	S	S	*	*	S	Bend	trans	-135.2	64.6	147.3	-87.8	-160.1	172.3	-172.6	0	109.8
976	R	25.3	Very low	31.7	Very low	232 Å²	232	129.5 Å²	129.5	88%	0.875	69%	0.694	S	S	*	*			trans	-148.7	55.5	173.9	-152.6	177.8	-166.6	-165.8	2	113.4
977	S	27.3	Very low	30.3	Very low	106 Å²	106	130.7 Å²	130.7	74%	0.741	71%	0.71	S	S	*	*			trans	-162.5	135.1	170.1	55.5	0	0	0	0	109.7
978	K	28.8	Very low	29.3	Very low	217 Å²	217	132.5 Å²	132.5	94%	0.943	72%	0.717	S	S	*	*			trans	66.2	126.5	-166.6	-49.1	-178.2	-179	-175	0	112
979	S	26.6	Very low	28.8	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	75%	0.747	S	S	*	*			cis	-115.7	159.2	5.7	53.1	0	0	0	0	113.5
980	R	26.9	Very low	28.5	Very low	204 Å²	204	146.7 Å²	146.7	77%	0.77	76%	0.76	S	S	*	*			trans	27.9	142.7	137	-63.9	-168.2	125.4	145.2	4.6	119.9
981	E	27.5	Very low	28.1	Very low	135 Å²	135	150.5 Å²	150.5	63%	0.631	77%	0.767	S	S	*	*			cis	-176	176	-14.7	-120.5	151.3	-155.7	0	0	105.7
982	N	29.2	Very low	27.8	Very low	130 Å²	130	146.1 Å²	146.1	70%	0.695	75%	0.748	S	S	*	*			trans	66.5	105.9	158.2	-60.5	-9.1	0	0	0	120.7
983	N	29.4	Very low	27.5	Very low	130 Å²	130	153.8 Å²	153.8	70%	0.695	76%	0.757	S	S	*	*				91	99.8	116	-61.8	-4.3	0	0	0	121.9
984	T	28.7	Very low	27.4	Very low	133 Å²	133	151.6 Å²	151.6	82%	0.816	75%	0.752	S	S	*	*				79.2	154.8	127.9	50.6	0	0	0	0	120.5
985	P	34.3	Very low	27.1	Very low	113 Å²	113	150 Å²	150	73%	0.734	75%	0.749	S	S	*	*			trans	-121.4	-171.4	-162.3	43.3	-29.1	0	0	0	114.2
986	S	26.3	Very low	27	Very low	107 Å²	107	145 Å²	145	75%	0.748	74%	0.741	S	S	*	*			trans	107.4	163.8	146.8	86.6	0	0	0	0	118.4
987	S	26.6	Very low	27	Very low	96 Å²	96	137.8 Å²	137.8	67%	0.671	73%	0.726	S	S	*	*			trans	77.5	109.5	167.8	83.5	0	0	0	0	118.7
988	N	26.4	Very low	26.9	Very low	126 Å²	126	141.2 Å²	141.2	67%	0.674	73%	0.73	S	S	*	*				61.8	122.4	117.7	-73	-38.6	0	0	0	122.8
989	R	26.5	Very low	26.8	Very low	221 Å²	221	134.2 Å²	134.2	83%	0.834	71%	0.713	S	S	*	*				73.7	166.7	129.3	-66.7	175.1	-173.1	-168.9	0.4	117.5
990	K	24.7	Very low	26.8	Very low	141 Å²	141	137.1 Å²	137.1	61%	0.613	71%	0.714	S	S	*	*			cis	-178.9	147.3	-36	-168.3	179.8	179.5	-155.6	0	105.8
991	Y	25.3	Very low	26.7	Very low	194 Å²	194	132.9 Å²	132.9	76%	0.761	71%	0.711	S	S	*	*			trans	66.4	167.2	177.8	-53.7	-70.1	0	0	0	114.8
992	A	25.4	Very low	26.6	Very low	67 Å²	67	132 Å²	132	55%	0.554	72%	0.715	S	S	*	*			cis	-171.6	163.7	-39.9	0	0	0	0	0	108.5
993	W	24.8	Very low	26.4	Very low	250 Å²	250	135 Å²	135	95%	0.947	72%	0.722	S	S	*	*			trans	64.2	160.5	149.9	-74.2	-7.9	0	0	0	116.6
994	S	25.6	Very low	26.2	Very low	80 Å²	80	134.4 Å²	134.4	56%	0.559	72%	0.723	S	S	*	*			cis	-162.5	148.9	-10.7	37.6	0	0	0	0	110.7
995	N	25	Very low	26	Very low	145 Å²	145	133.8 Å²	133.8	78%	0.775	72%	0.715	S	S	*	*			trans	60.7	166.9	143.5	-59.9	-8.6	0	0	0	120.5
996	S	25.6	Very low	25.6	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	72%	0.715	S	S	*	*			trans	62.8	145.3	145.3	39.3	0	0	0	0	120.2
997	S	25.4	Very low	25.5	Very low	81 Å²	81	139.6 Å²	139.6	57%	0.566	71%	0.714	S	S	*	*			cis	-171.7	168.1	-24	43.9	0	0	0	0	107.4
998	E	26.3	Very low	25.4	Very low	178 Å²	178	140.4 Å²	140.4	83%	0.832	72%	0.715	S	S	*	*			trans	64.5	164.6	153	-74.9	149.4	147	0	0	116.7
999	A	26.4	Very low	25.3	Very low	70 Å²	70	140.2 Å²	140.2	58%	0.579	71%	0.714	S	S	*	*			cis	-151.6	176.4	-26.9	0	0	0	0	0	109.9
1000	Q	27.4	Very low	25.2	Very low	171 Å²	171	136.9 Å²	136.9	80%	0.799	71%	0.705	S	S	*	*			trans	43.9	98.4	141.5	-72	164.3	16.8	0	0	118.2
1001	T	23.7	Very low	25.1	Very low	115 Å²	115	137.4 Å²	137.4	71%	0.706	71%	0.713	S	S	*	*				93.6	143.8	64.3	52.9	0	0	0	0	115.1
1002	T	25	Very low	25.2	Very low	117 Å²	117	133.5 Å²	133.5	72%	0.718	71%	0.709	S	S	*	*			trans	72.4	138.8	150.3	43	0	0	0	0	120.8
1003	K	25.1	Very low	25.4	Very low	194 Å²	194	136.3 Å²	136.3	84%	0.843	72%	0.72	S	S	*	*			trans	71.8	153.8	157	-69	167.6	-178.6	-179.6	0	117.6
1004	V	25.8	Very low	25.6	Very low	116 Å²	116	132 Å²	132	70%	0.703	71%	0.708	S	S	*	*			cis	-168.1	135.2	-43.1	115.4	0	0	0	0	107
1005	D	24.1	Very low	25.7	Very low	121 Å²	121	134.6 Å²	134.6	65%	0.647	71%	0.711	S	S	*	*			trans	54.4	171.2	161.1	-54.2	-14.8	0	0	0	122.3
1006	Y	25.9	Very low	26	Very low	187 Å²	187	133.9 Å²	133.9	73%	0.733	71%	0.708	S	S	*	*			trans	65.2	102.5	160	-64.4	-62.8	0	0	0	123
1007	Q	24.7	Very low	26.1	Very low	155 Å²	155	137.4 Å²	137.4	72%	0.724	71%	0.712	S	S	*	*				59.1	119.2	116.2	-93.4	-179.5	-42.7	0	0	121.7
1008	T	24.7	Very low	26.1	Very low	113 Å²	113	137 Å²	137	69%	0.693	72%	0.72	S	S	*	*			trans	60.4	131	138.7	49.9	0	0	0	0	121
1009	D	23.7	Very low	26	Very low	122 Å²	122	138.9 Å²	138.9	65%	0.652	72%	0.72	S	S	*	*			trans	65.7	156	156.9	-71.8	-1.7	0	0	0	116.4
1010	K	23.9	Very low	26	Very low	151 Å²	151	144.4 Å²	144.4	66%	0.657	73%	0.731	S	S	*	*			cis	-167.3	175.4	-19.1	-108.7	167.1	-169.3	146.3	0	106.2
1011	I	24.4	Very low	26	Very low	152 Å²	152	144.1 Å²	144.1	78%	0.779	73%	0.727	S	S	*	*			trans	68.1	149.3	155.5	-71.7	152	0	0	0	115.1
1012	T	27.1	Very low	26	Very low	111 Å²	111	145.2 Å²	145.2	68%	0.681	73%	0.729	S	S	*	*			cis	-154.9	167.2	-32.5	36.7	0	0	0	0	106.8
1013	T	28.2	Very low	25.9	Very low	127 Å²	127	150.6 Å²	150.6	78%	0.779	74%	0.736	S	S	*	*			cis	-124.7	-127.3	1.2	-11.9	0	0	0	0	109.2
1014	K	29.5	Very low	25.8	Very low	159 Å²	159	148.7 Å²	148.7	69%	0.691	73%	0.733	S	S	*	*			cis	-146.8	155.4	-5.7	-116.4	-152.6	175.8	-150.9	0	109.1
1015	Q	28.8	Very low	25.8	Very low	135 Å²	135	149.1 Å²	149.1	63%	0.631	74%	0.74	S	S	*	*			trans	28.8	133.2	144.8	-66	-167.4	-95.1	0	0	121.2
1016	D	29.9	Very low	25.8	Very low	130 Å²	130	148.3 Å²	148.3	70%	0.695	75%	0.75	S	S	*	*			cis	-131.2	160.8	5.4	-79.2	-47.1	0	0	0	114.8
1017	E	28.1	Very low	26	Very low	181 Å²	181	144.6 Å²	144.6	85%	0.846	75%	0.752	S	S	*	*			trans	-56.4	167.1	-174.8	-49.3	-179.7	157.1	0	0	115.2
1018	G	25.4	Very low	26.3	Very low	71 Å²	71	142.4 Å²	142.4	73%	0.732	75%	0.751	S	S	*	*			cis	167.9	-178.3	2.7	0	0	0	0	0	108.9
1019	W	24.6	Very low	26.4	Very low	219 Å²	219	143.4 Å²	143.4	83%	0.83	76%	0.757	S	S	*	*			cis	-158.6	174.1	-14.9	-131.4	48.6	0	0	0	108.1
1020	F	27	Very low	26.6	Very low	185 Å²	185	144.9 Å²	144.9	81%	0.811	76%	0.757	S	S	*	*			trans	-73.4	145.9	175.8	-69.4	-112.2	0	0	0	112.3
1021	K	25.5	Very low	27	Very low	166 Å²	166	141.8 Å²	141.8	72%	0.722	75%	0.753	S	S	*	*				164.3	146.3	116.9	-87.4	152.5	-172.3	168.5	0	115.1
1022	N	24.5	Very low	27.2	Very low	138 Å²	138	142.8 Å²	142.8	74%	0.738	75%	0.754	S	S	*	*			trans	14.9	155.9	139.6	-51	-14.7	0	0	0	122.5
1023	R	22.3	Very low	27.2	Very low	230 Å²	230	144.7 Å²	144.7	87%	0.868	76%	0.756	S	S	*	*			trans	78.8	154.2	166.1	-53	180	-178.4	174.5	0.3	114.7
1024	I	23.1	Very low	27.3	Very low	153 Å²	153	143.1 Å²	143.1	79%	0.785	75%	0.75	S	S	*	*			cis	-154.4	174.6	-28.3	-110.6	160.5	0	0	0	106
1025	C	26.2	Very low	27.2	Very low	126 Å²	126	141.8 Å²	141.8	85%	0.851	75%	0.75	S	S	*	*			trans	-63.6	139.1	-179.5	-57.2	0	0	0	0	114.8
1026	A	23.4	Very low	27.4	Very low	103 Å²	103	143.6 Å²	143.6	85%	0.851	76%	0.762	S	S	*	*			trans	-159.2	127.8	145.5	0	0	0	0	0	111.3
1027	S	31.2	Very low	27.2	Very low	110 Å²	110	142.1 Å²	142.1	77%	0.769	76%	0.762	S	S	*	*			trans	-97.9	158.6	151.6	55	0	0	0	0	106.9
1028	P	31.1	Very low	27.2	Very low	108 Å²	108	138.2 Å²	138.2	70%	0.701	76%	0.755	S	S	*	*				-158.2	-157.4	70.9	41.1	-16.9	0	0	0	116
1029	T	25.6	Very low	27.4	Very low	135 Å²	135	144.8 Å²	144.8	83%	0.828	76%	0.763	S	S	*	*			trans	78.8	129.5	151.4	38.5	0	0	0	0	122.8
1030	K	29.7	Very low	27.6	Very low	152 Å²	152	139.9 Å²	139.9	66%	0.661	75%	0.753	S	S	*	*			trans	-79.2	-174.6	163.1	-101.2	-171.4	176	-167.8	0	109.5
1031	P	32	Very low	27.9	Very low	86 Å²	86	137.1 Å²	137.1	56%	0.558	75%	0.752	S	S	*	*			cis	-145.4	-167.1	20.6	46.7	-26.8	0	0	0	118
1032	E	27.7	Very low	28.1	Very low	174 Å²	174	135.5 Å²	135.5	81%	0.813	75%	0.75	S	S	*	*			trans	41	145	152.8	-75.1	112	-127.4	0	0	121.4
1033	E	27.9	Very low	28.4	Very low	151 Å²	151	135.6 Å²	135.6	71%	0.706	75%	0.75	S	S	*	*			cis	-158	-149.1	-22	-148.6	-145	-66.6	0	0	106.1	N1035	E1033-N1035 PolarHBondContact OE2-N 2.9Å
1034	S	30.1	Very low	28.8	Very low	94 Å²	94	127.4 Å²	127.4	66%	0.657	73%	0.731	S	S	*	*			cis	-150.4	165.7	-3.4	60.8	0	0	0	0	115.7
1035	N	27.5	Very low	29.2	Very low	130 Å²	130	123.2 Å²	123.2	70%	0.695	72%	0.72	S	S	*	*			trans	13.6	129.1	154.7	-61.4	-40.7	0	0	0	123.6	E1033	E1033-N1035 PolarHBondContact OE2-N 2.9Å
1036	I	31.8	Very low	29.6	Very low	174 Å²	174	121.8 Å²	121.8	89%	0.892	71%	0.707	S	S	*	*				166.9	160	116	-84.6	175.6	0	0	0	110.7
1037	S	27.4	Very low	30.2	Very low	98 Å²	98	120.4 Å²	120.4	69%	0.685	69%	0.688	S	S	*	*			trans	-116.9	160.3	-143.9	61.9	0	0	0	0	119.3
1038	S	27.8	Very low	30.3	Very low	100 Å²	100	123.9 Å²	123.9	70%	0.699	68%	0.684	S	S	*	*			trans	71	113.3	145.2	73	0	0	0	0	121.9
1039	K	28.8	Very low	30.4	Very low	208 Å²	208	124.8 Å²	124.8	90%	0.904	67%	0.674	S	S	*	*				-176.3	145.6	111.9	-101.7	168.3	-178.1	170.5	0	113.3
1040	D	29.1	Very low	30.7	Very low	117 Å²	117	121.3 Å²	121.3	63%	0.626	66%	0.66	S	S	*	*			trans	-71.4	157.6	175.7	-79	-40.3	0	0	0	113.8	K697	K697-D1040 IonicContact NZ-OD2 3.7Å; K697-D1040 PolarHBondContact NZ-OD2 3.27Å
1041	T	32.8	Very low	30.9	Very low	127 Å²	127	122.9 Å²	122.9	78%	0.779	66%	0.662	S	S	*	*			trans	-156.6	144.2	134.1	-2.6	0	0	0	0	113.3	L1043	T1041-L1043 PolarHBondContact O-N 3.12Å
1042	L	29.7	Very low	30.8	Very low	132 Å²	132	128.4 Å²	128.4	69%	0.691	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-14.5	-163.7	-83.8	74.7	0	0	0	117.5	A1044 A1045	L1042-A1044 PolarHBondContact O-N 3.32Å; L1042-A1044 VanDerWaalsContact O-N 3.12Å; L1042-A1045 WeakPolarHBondContact O-CB 3.48Å; L1042-A1045 PolarHBondContact O-N 3.2Å
1043	L	30.5	Very low	31.1	Very low	140 Å²	140	126.3 Å²	126.3	73%	0.733	67%	0.665	S	S	*	*	H	α-helix	trans	-62.7	-27.2	-168.7	-148.3	72.2	0	0	0	113.5	T1041 A1045 V1047	T1041-L1043 PolarHBondContact O-N 3.12Å; L1043-A1045 VanDerWaalsContact C-N 3.33Å; L1043-A1045 PolarHBondContact O-N 2.9Å; L1043-V1047 WeakPolarHBondContact O-CG2 3.28Å; L1043-V1047 PolarHBondContact O-N 3.02Å
1044	A	32	Very low	31.3	Very low	57 Å²	57	123.6 Å²	123.6	47%	0.471	66%	0.662	S	S	.	*	H	α-helix	trans	-69	-27.2	176.6	0	0	0	0	0	113.6	L1042 R1048	L1042-A1044 PolarHBondContact O-N 3.32Å; L1042-A1044 VanDerWaalsContact O-N 3.12Å; A1044-R1048 VanDerWaalsContact O-CB 3.26Å; A1044-R1048 WeakPolarHBondContact O-CB 3.26Å; A1044-R1048 WeakPolarHBondContact O-CD 3.17Å; A1044-R1048 WeakPolarHBondContact O-CG 3.43Å; A1044-R1048 PolarHBondContact O-N 3.27Å
1045	A	32	Very low	31.2	Very low	65 Å²	65	125.3 Å²	125.3	54%	0.537	66%	0.664	S	S	.	*	H	α-helix	trans	-72.2	-55.4	178.5	0	0	0	0	0	110.7	L1042 L1043 V1047 R1048 Y1049	L1042-A1045 WeakPolarHBondContact O-CB 3.48Å; L1042-A1045 PolarHBondContact O-N 3.2Å; L1043-A1045 VanDerWaalsContact C-N 3.33Å; L1043-A1045 PolarHBondContact O-N 2.9Å; A1045-V1047 VanDerWaalsContact C-N 3.33Å; A1045-V1047 PolarHBondContact O-N 2.84Å; A1045-R1048 PolarHBondContact O-N 3.12Å; A1045-R1048 VanDerWaalsContact O-N 3.13Å; A1045-Y1049 WeakPolarHBondContact O-CB 3.09Å; A1045-Y1049 PolarHBondContact O-N 3.11Å
1046	T	34	Very low	31.3	Very low	96 Å²	96	123.4 Å²	123.4	59%	0.589	67%	0.667	S	S	*	*	H	α-helix	trans	-60.9	-40.1	-176.9	-37.4	0	0	0	0	112.2	Y1049 A1050	T1046-Y1049 PolarHBondContact O-N 3.07Å; T1046-A1050 WeakPolarHBondContact O-CB 3.31Å; T1046-A1050 PolarHBondContact O-N 3.28Å
1047	V	36.2	Very low	31	Very low	74 Å²	74	119.8 Å²	119.8	45%	0.448	66%	0.657	S	S	.	*	H	α-helix	trans	-74.3	-29	178.5	178.3	0	0	0	0	112.4	L1043 A1045 R1051	L1043-V1047 WeakPolarHBondContact O-CG2 3.28Å; L1043-V1047 PolarHBondContact O-N 3.02Å; A1045-V1047 VanDerWaalsContact C-N 3.33Å; A1045-V1047 PolarHBondContact O-N 2.84Å; V1047-R1051 WeakPolarHBondContact O-CB 3.25Å; V1047-R1051 WeakPolarHBondContact O-CG 3.49Å; V1047-R1051 PolarHBondContact O-N 2.94Å; V1047-R1051 VanDerWaalsContact O-N 3.13Å
1048	R	32.1	Very low	30.8	Very low	184 Å²	184	120.9 Å²	120.9	69%	0.694	66%	0.659	S	S	*	*	H	α-helix	trans	-75.5	-35.4	171	-75	175.6	177	-179.5	-0.1	112.2	A1044 A1045 R1051 R1052	A1044-R1048 VanDerWaalsContact O-CB 3.26Å; A1044-R1048 WeakPolarHBondContact O-CB 3.26Å; A1044-R1048 WeakPolarHBondContact O-CD 3.17Å; A1044-R1048 WeakPolarHBondContact O-CG 3.43Å; A1044-R1048 PolarHBondContact O-N 3.27Å; A1045-R1048 PolarHBondContact O-N 3.12Å; A1045-R1048 VanDerWaalsContact O-N 3.13Å; R1048-R1051 PolarHBondContact O-N 3.21Å; R1048-R1052 WeakPolarHBondContact O-CB 3.44Å; R1048-R1052 WeakPolarHBondContact O-CG 3.37Å; R1048-R1052 PolarHBondContact O-N 2.7Å
1049	Y	33.1	Very low	30.8	Very low	126 Å²	126	121.6 Å²	121.6	49%	0.494	66%	0.664	S	S	.	*	H	α-helix	trans	-64.9	-49.9	174.6	-153	-94.7	0	0	0	110.9	A1045 T1046 R1051 R1052 L1053	A1045-Y1049 WeakPolarHBondContact O-CB 3.09Å; A1045-Y1049 PolarHBondContact O-N 3.11Å; T1046-Y1049 PolarHBondContact O-N 3.07Å; Y1049-R1051 VanDerWaalsContact C-N 3.29Å; Y1049-R1051 PolarHBondContact O-N 2.72Å; Y1049-R1052 PolarHBondContact O-N 3.28Å; Y1049-R1052 VanDerWaalsContact O-N 3.12Å; Y1049-L1053 HydrophobicContact CD1-CD1 3.93Å; Y1049-L1053 HydrophobicContact CE1-CD1 3.93Å; Y1049-L1053 PolarHBondContact O-N 3.37Å; Y1049-L1053 VanDerWaalsContact O-N 3.11Å
1050	A	33.4	Very low	30.6	Very low	63 Å²	63	120.8 Å²	120.8	52%	0.521	66%	0.655	S	S	.	*	H	α-helix	trans	-62.7	-30.1	175.4	0	0	0	0	0	113.7	T1046 S1054	T1046-A1050 WeakPolarHBondContact O-CB 3.31Å; T1046-A1050 PolarHBondContact O-N 3.28Å; A1050-S1054 WeakPolarHBondContact O-CB 3.43Å; A1050-S1054 PolarHBondContact O-N 2.93Å
1051	R	32.1	Very low	30.4	Very low	185 Å²	185	125.1 Å²	125.1	70%	0.698	67%	0.669	S	S	*	*	H	α-helix	trans	-79.4	-26.8	172.5	-81.7	-177.1	168.7	168.2	-1.7	114.2	V1047 R1048 Y1049	V1047-R1051 WeakPolarHBondContact O-CB 3.25Å; V1047-R1051 WeakPolarHBondContact O-CG 3.49Å; V1047-R1051 PolarHBondContact O-N 2.94Å; V1047-R1051 VanDerWaalsContact O-N 3.13Å; R1048-R1051 PolarHBondContact O-N 3.21Å; Y1049-R1051 VanDerWaalsContact C-N 3.29Å; Y1049-R1051 PolarHBondContact O-N 2.72Å
1052	R	31.8	Very low	30	Very low	201 Å²	201	125.3 Å²	125.3	76%	0.758	67%	0.665	S	S	*	*	H	α-helix	trans	-69.9	-44.4	173.2	-79.9	176	172.6	-179.3	-4.3	111.2	R1048 Y1049 S1054 N1055	R1048-R1052 WeakPolarHBondContact O-CB 3.44Å; R1048-R1052 WeakPolarHBondContact O-CG 3.37Å; R1048-R1052 PolarHBondContact O-N 2.7Å; Y1049-R1052 PolarHBondContact O-N 3.28Å; Y1049-R1052 VanDerWaalsContact O-N 3.12Å; R1052-S1054 PolarHBondContact O-N 3.28Å; R1052-N1055 PolarHBondContact O-N 2.67Å
1053	L	34.1	Very low	29.9	Very low	131 Å²	131	127 Å²	127	69%	0.686	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-18.2	176	-68.4	169.9	0	0	0	114.3	Y1049	Y1049-L1053 HydrophobicContact CD1-CD1 3.93Å; Y1049-L1053 HydrophobicContact CE1-CD1 3.93Å; Y1049-L1053 PolarHBondContact O-N 3.37Å; Y1049-L1053 VanDerWaalsContact O-N 3.11Å
1054	S	31.5	Very low	29.6	Very low	93 Å²	93	125.3 Å²	125.3	65%	0.65	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-5	-178.3	-170.2	0	0	0	0	114.8	A1050 R1052	A1050-S1054 WeakPolarHBondContact O-CB 3.43Å; A1050-S1054 PolarHBondContact O-N 2.93Å; R1052-S1054 PolarHBondContact O-N 3.28Å
1055	N	28.1	Very low	29.3	Very low	131 Å²	131	126.7 Å²	126.7	70%	0.701	69%	0.686	S	S	*	*	S	Bend	trans	-126.9	9.5	-177	-82.4	5.6	0	0	0	113.1	R1052 S1057	R1052-N1055 PolarHBondContact O-N 2.67Å; N1055-S1057 PolarHBondContact O-N 3.23Å
1056	A	28.4	Very low	29	Very low	90 Å²	90	131.1 Å²	131.1	74%	0.744	70%	0.7	S	S	*	*			trans	-80.1	44.8	-176.8	0	0	0	0	0	113.6
1057	S	25.4	Very low	28.6	Very low	98 Å²	98	131.6 Å²	131.6	69%	0.685	71%	0.708	S	S	*	*	S	Bend	trans	-145.5	127.6	167.6	60.3	0	0	0	0	110.7	N1055	N1055-S1057 PolarHBondContact O-N 3.23Å
1058	V	24.9	Very low	28.1	Very low	120 Å²	120	132.7 Å²	132.7	73%	0.727	72%	0.718	S	S	*	*			trans	64.8	79.6	179.3	-162.8	0	0	0	0	115.6
1059	S	26.7	Very low	28	Very low	116 Å²	116	129.2 Å²	129.2	81%	0.811	72%	0.722	S	S	*	*			trans	-135	98.8	148.1	63.8	0	0	0	0	110.8	F1061	S1059-F1061 PolarHBondContact O-N 2.6Å
1060	R	24.2	Very low	27.9	Very low	190 Å²	190	134.9 Å²	134.9	72%	0.717	74%	0.743	S	S	*	*			trans	-68.2	126.4	170.7	-64.3	174.2	179	148.6	-1.5	109.8
1061	F	25.9	Very low	27.5	Very low	209 Å²	209	139.3 Å²	139.3	92%	0.917	76%	0.757	S	S	*	*			trans	-145.3	137.1	144.4	-99.3	-75.3	0	0	0	109.6	S1059	S1059-F1061 PolarHBondContact O-N 2.6Å
1062	N	24.6	Very low	27.4	Very low	130 Å²	130	135.8 Å²	135.8	70%	0.695	76%	0.762	S	S	*	*			trans	-85.5	143.2	177.3	-43.6	-43.3	0	0	0	109.5
1063	L	27.3	Very low	27.2	Very low	168 Å²	168	134.6 Å²	134.6	88%	0.88	76%	0.764	S	S	*	*			trans	179.3	88.2	154.3	-98.8	160.4	0	0	0	105.2
1064	S	23.1	Very low	26.7	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	77%	0.766	S	S	*	*				67.8	74.9	53.4	87.2	0	0	0	0	115
1065	A	25.7	Very low	26.7	Very low	86 Å²	86	139.2 Å²	139.2	71%	0.711	77%	0.774	S	S	*	*			trans	-171.5	129.6	138.9	0	0	0	0	0	111.6
1066	N	25.8	Very low	26.5	Very low	158 Å²	158	140.2 Å²	140.2	85%	0.845	78%	0.779	S	S	*	*			trans	39.7	138.1	130.9	-52.8	-1.1	0	0	0	120.3
1067	S	26.3	Very low	26.6	Very low	106 Å²	106	140.9 Å²	140.9	74%	0.741	78%	0.784	S	S	*	*			cis	-168.7	167.1	0.3	42.2	0	0	0	0	113.1
1068	S	25.9	Very low	26.5	Very low	96 Å²	96	141.2 Å²	141.2	67%	0.671	79%	0.786	S	S	*	*			trans	-27.6	135	158.9	45.4	0	0	0	0	115.5
1069	S	30.2	Very low	26.6	Very low	111 Å²	111	143.8 Å²	143.8	78%	0.776	79%	0.793	S	S	*	*			cis	78.4	136	49.4	83.3	0	0	0	0	115.4
1070	R	29.4	Very low	26.7	Very low	245 Å²	245	145.8 Å²	145.8	93%	0.925	79%	0.794	S	S	*	*			trans	-158	139.6	162	-117.3	175	-175.4	-177.5	-0.3	111.7
1071	N	26.2	Very low	26.8	Very low	156 Å²	156	140.8 Å²	140.8	83%	0.834	79%	0.789	S	S	*	*			trans	-105.7	150	172.3	-60.5	-21.3	0	0	0	109.6
1072	S	30	Very low	26.9	Very low	112 Å²	112	137.8 Å²	137.8	78%	0.783	78%	0.781	S	S	*	*			trans	168.1	149.2	150.9	51.2	0	0	0	0	108.2
1073	E	27.1	Very low	27.1	Very low	175 Å²	175	137.9 Å²	137.9	82%	0.818	78%	0.782	S	S	*	*			cis	166.6	146.7	-28.1	-115.4	-175.7	167.4	0	0	105.5
1074	C	24.7	Very low	27.1	Very low	106 Å²	106	135.1 Å²	135.1	72%	0.716	77%	0.768	S	S	*	*			trans	71.7	139.6	152.5	-69.3	0	0	0	0	123.3
1075	R	30.1	Very low	27.5	Very low	216 Å²	216	137.9 Å²	137.9	82%	0.815	77%	0.769	S	S	*	*			trans	75.6	103.6	151.6	-70.3	176.6	179.8	-176.4	0.2	120.8
1076	D	25.1	Very low	27.6	Very low	152 Å²	152	142.8 Å²	142.8	81%	0.813	78%	0.775	S	S	*	*				56.7	163.4	107.2	-53.5	-37.2	0	0	0	122.1
1077	A	29.1	Very low	27.6	Very low	104 Å²	104	143 Å²	143	86%	0.86	77%	0.77	S	S	*	*			trans	83.3	137.9	-179.6	0	0	0	0	0	117
1078	S	24.1	Very low	27.6	Very low	104 Å²	104	144.9 Å²	144.9	73%	0.727	77%	0.767	S	S	*	*			trans	-67.7	160.4	-174.8	51.2	0	0	0	0	115.1
1079	M	26	Very low	27.6	Very low	174 Å²	174	147.6 Å²	147.6	86%	0.857	77%	0.769	S	S	*	*			trans	49.1	117.6	151.3	-65	-67.3	-166.6	0	0	117.3
1080	D	29.3	Very low	27.4	Very low	158 Å²	158	149.4 Å²	149.4	85%	0.845	77%	0.765	S	S	*	*				-155.5	177.7	102.6	-132.8	-42.6	0	0	0	113
1081	S	26.5	Very low	27.3	Very low	86 Å²	86	145.1 Å²	145.1	60%	0.601	76%	0.76	S	S	*	*			trans	-95.8	170.3	-167.3	63.9	0	0	0	0	114.6
1082	L	27.9	Very low	27.3	Very low	145 Å²	145	143.1 Å²	143.1	76%	0.759	75%	0.749	S	S	*	*			trans	62.3	97.1	150.9	-74.4	162.7	0	0	0	120.3
1083	N	28.6	Very low	27.1	Very low	132 Å²	132	144.5 Å²	144.5	71%	0.706	75%	0.748	S	S	*	*				85.1	151	112.7	-132.4	-4.4	0	0	0	121.2
1084	N	27.6	Very low	27	Very low	111 Å²	111	145.9 Å²	145.9	59%	0.594	75%	0.745	S	S	*	*			trans	75.1	120.2	155.3	-74.3	-44.1	0	0	0	123.4
1085	Q	31.7	Very low	27	Very low	162 Å²	162	150.6 Å²	150.6	76%	0.757	75%	0.748	S	S	*	*				74.5	94.6	128.4	-62.5	178	31.3	0	0	121.2
1086	K	27	Very low	26.9	Very low	190 Å²	190	147 Å²	147	83%	0.826	75%	0.745	S	S	*	*				37.4	121.9	118	-70.6	-175.9	176	179.1	0	119.8
1087	H	27.7	Very low	27	Very low	162 Å²	162	143.2 Å²	143.2	75%	0.75	74%	0.735	S	S	*	*			trans	73	109.7	137.7	-79.1	-39.5	0	0	0	120.6
1088	Q	24.5	Very low	26.9	Very low	146 Å²	146	145.7 Å²	145.7	68%	0.682	73%	0.734	S	S	*	*				107.1	138.4	112.8	-96.1	-166.5	14.3	0	0	120.3
1089	Q	27	Very low	27.2	Very low	152 Å²	152	144 Å²	144	71%	0.71	73%	0.733	S	S	*	*			trans	78.8	135.7	151.7	-68.4	177.5	42.1	0	0	120.2
1090	H	25.6	Very low	27.2	Very low	150 Å²	150	140 Å²	140	69%	0.694	72%	0.722	S	S	*	*			trans	18.5	128.9	148.5	-61.5	-88.2	0	0	0	118.1
1091	L	27.9	Very low	27.3	Very low	155 Å²	155	140.7 Å²	140.7	81%	0.812	72%	0.718	S	S	*	*				-147.1	139.1	66.1	-77.3	149.7	0	0	0	109
1092	N	25.9	Very low	27.3	Very low	113 Å²	113	147.5 Å²	147.5	60%	0.604	73%	0.73	S	S	*	*				69.9	126.1	68.9	-90.4	6.9	0	0	0	115.9
1093	N	26.3	Very low	27.3	Very low	142 Å²	142	145.2 Å²	145.2	76%	0.759	73%	0.727	S	S	*	*			trans	83.7	148	148	-59.6	-18.3	0	0	0	120.9
1094	R	24.3	Very low	27.2	Very low	203 Å²	203	142.5 Å²	142.5	77%	0.766	72%	0.722	S	S	*	*			trans	68.2	117.5	173.1	-71.5	-174.7	163.5	160.3	-5.1	115.6
1095	W	25	Very low	27.3	Very low	206 Å²	206	143.7 Å²	143.7	78%	0.78	73%	0.728	S	S	*	*			cis	96.5	151.3	45.7	-78	10.9	0	0	0	110.2
1096	D	27.6	Very low	27.1	Very low	139 Å²	139	141.9 Å²	141.9	74%	0.743	72%	0.723	S	S	*	*			trans	69.3	143.9	165.3	-47	-40.3	0	0	0	115.1
1097	A	26.6	Very low	27.1	Very low	74 Å²	74	141.5 Å²	141.5	61%	0.612	72%	0.717	S	S	*	*			cis	-161.9	179.1	-21.2	0	0	0	0	0	109.7
1098	D	28.2	Very low	27.1	Very low	156 Å²	156	139.9 Å²	139.9	83%	0.834	71%	0.71	S	S	*	*			trans	68.2	167.6	154.3	-60.6	-34.3	0	0	0	121
1099	G	30.2	Very low	27.2	Very low	67 Å²	67	137.7 Å²	137.7	69%	0.691	70%	0.703	S	S	*	*			trans	65.3	65.8	178.6	0	0	0	0	0	115.5
1100	S	26.9	Very low	27.3	Very low	92 Å²	92	137.2 Å²	137.2	64%	0.643	70%	0.699	S	S	*	*			cis	59.6	136.7	37.3	109.1	0	0	0	0	114.4
1101	K	29.6	Very low	27.3	Very low	171 Å²	171	137.1 Å²	137.1	74%	0.743	70%	0.698	S	S	*	*			trans	83.3	117.1	-176.3	-59.1	168.9	-172.4	172	0	113.1
1102	R	26.6	Very low	27.3	Very low	229 Å²	229	136.4 Å²	136.4	86%	0.864	69%	0.691	S	S	*	*				68.8	143.7	69.3	-66.4	174.2	-165.1	175.1	1.8	110.9
1103	S	28.3	Very low	27.3	Very low	98 Å²	98	138 Å²	138	69%	0.685	70%	0.7	S	S	*	*			cis	-103.7	153.9	2.9	63.9	0	0	0	0	109.9
1104	A	26.7	Very low	27.4	Very low	74 Å²	74	141.6 Å²	141.6	61%	0.612	70%	0.704	S	S	*	*			cis	57.8	139.6	47.7	0	0	0	0	0	112.3
1105	D	29.2	Very low	27.4	Very low	136 Å²	136	138.1 Å²	138.1	73%	0.727	70%	0.701	S	S	*	*			trans	115.5	139.2	153.7	-61.3	-2.3	0	0	0	116.3
1106	I	27.8	Very low	27.5	Very low	124 Å²	124	133.8 Å²	133.8	64%	0.636	69%	0.693	S	S	*	*			cis	-164.8	160.1	-33.5	-140.6	167.7	0	0	0	105.6
1107	Y	26.8	Very low	27.3	Very low	183 Å²	183	135.8 Å²	135.8	72%	0.718	70%	0.695	S	S	*	*			trans	66.5	156.9	160.8	-79.5	-161.9	0	0	0	118.4
1108	E	27.4	Very low	27.4	Very low	127 Å²	127	139 Å²	139	59%	0.593	70%	0.701	S	S	*	*			cis	-161.4	-167.3	-39.2	-133.1	167.7	-151	0	0	107.9
1109	D	28	Very low	27.4	Very low	101 Å²	101	136.6 Å²	136.6	54%	0.54	69%	0.692	S	S	.	*			trans	75.9	133.3	136.1	-100.8	-26.9	0	0	0	121.4
1110	K	28.5	Very low	27.3	Very low	141 Å²	141	142.5 Å²	142.5	61%	0.613	70%	0.698	S	S	*	*			trans	69.8	112.1	142.2	-72.8	152.9	-168.4	147.2	0	116.5
1111	E	25.5	Very low	27.2	Very low	148 Å²	148	144.5 Å²	144.5	69%	0.692	71%	0.707	S	S	*	*				74.5	151.7	81.8	-75.8	178.5	-139.6	0	0	112.7
1112	Q	28	Very low	27.2	Very low	141 Å²	141	141.1 Å²	141.1	66%	0.659	71%	0.705	S	S	*	*			cis	-122.6	176	0	-75.9	86.3	28	0	0	112.4
1113	N	25.6	Very low	27.3	Very low	147 Å²	147	134.9 Å²	134.9	79%	0.786	70%	0.696	S	S	*	*			trans	-42.6	136	148.5	-55.2	-68.3	0	0	0	113.3
1114	Y	29.1	Very low	27.4	Very low	217 Å²	217	138.2 Å²	138.2	85%	0.851	71%	0.706	S	S	*	*			trans	-166.5	113.1	144.1	-94.4	-70.7	0	0	0	104.6
1115	N	24.8	Very low	27.8	Very low	130 Å²	130	139.8 Å²	139.8	70%	0.695	71%	0.71	S	S	*	*			cis	53.7	130.7	45.2	-92.5	35.6	0	0	0	114.4
1116	D	25.5	Very low	28	Very low	114 Å²	114	140.4 Å²	140.4	61%	0.61	71%	0.71	S	S	*	*			trans	59.9	105	146.5	-57.2	-39.9	0	0	0	121.7
1117	F	25.2	Very low	28.3	Very low	182 Å²	182	142 Å²	142	80%	0.798	71%	0.712	S	S	*	*				80.4	170.8	122.2	-93	-90	0	0	0	121.8
1118	I	27.8	Very low	28.7	Very low	141 Å²	141	139.9 Å²	139.9	72%	0.723	71%	0.707	S	S	*	*			trans	76	131	156.2	-70.1	140.4	0	0	0	117.3
1119	T	28.2	Very low	28.9	Very low	105 Å²	105	140.4 Å²	140.4	64%	0.644	71%	0.709	S	S	*	*			cis	-165.4	-174.9	-23.6	37.7	0	0	0	0	108.7
1120	K	27.4	Very low	29	Very low	191 Å²	191	142.5 Å²	142.5	83%	0.83	72%	0.719	S	S	*	*			trans	84.9	119.7	162.2	-56.7	177.7	-176	-178.4	0	113.9
1121	T	26.2	Very low	29.2	Very low	135 Å²	135	143 Å²	143	83%	0.828	72%	0.721	S	S	*	*	S	Bend	cis	-141.1	156.5	2	49.7	0	0	0	0	109.6
1122	S	28.8	Very low	29.5	Very low	99 Å²	99	142.8 Å²	142.8	69%	0.692	72%	0.721	S	S	*	*			cis	-154.9	158.9	10.7	47.9	0	0	0	0	111.7
1123	S	28.7	Very low	29.6	Very low	98 Å²	98	141.3 Å²	141.3	69%	0.685	72%	0.717	S	S	*	*			trans	40	131.9	146.2	58.7	0	0	0	0	121.2
1124	L	30.2	Very low	29.7	Very low	169 Å²	169	140.6 Å²	140.6	89%	0.885	71%	0.714	S	S	*	*			cis	-157.7	162.9	9.1	-99.2	151.8	0	0	0	109.3
1125	P	35	Very low	29.7	Very low	107 Å²	107	134.2 Å²	134.2	70%	0.695	70%	0.701	S	S	*	*			trans	-111.8	171.5	-172.3	41.5	-33.7	0	0	0	114.8
1126	M	33.3	Very low	29.7	Very low	149 Å²	149	135.1 Å²	135.1	73%	0.734	71%	0.706	S	S	*	*				179.8	132.1	124.6	-99.7	-151.8	-178.5	0	0	114.8
1127	K	34.9	Very low	29.8	Very low	158 Å²	158	135 Å²	135	69%	0.687	71%	0.714	S	S	*	*			trans	59.9	149.1	137.4	-62.3	-173.2	177.8	168.1	0	119.7
1128	K	34.9	Very low	29.8	Very low	138 Å²	138	131 Å²	131	60%	0.6	71%	0.708	S	S	*	*			cis	-164.4	140.8	-5.9	-120	-177.5	161.9	-123.3	0	108.6
1129	E	30.8	Very low	29.8	Very low	137 Å²	137	135.4 Å²	135.4	64%	0.64	72%	0.716	S	S	*	*			trans	61.4	160.3	138.2	-62.9	168.7	179.3	0	0	117.7
1130	L	30.2	Very low	29.7	Very low	145 Å²	145	139.9 Å²	139.9	76%	0.759	73%	0.726	S	S	*	*			cis	-158	-175	-7.5	-141	58.1	0	0	0	106.1
1131	K	32.6	Very low	29.6	Very low	151 Å²	151	135.2 Å²	135.2	66%	0.657	72%	0.718	S	S	*	*			cis	-158.4	111.6	3.6	-171.7	174.4	179.8	177.8	0	111.4
1132	Q	33.2	Very low	29.6	Very low	144 Å²	144	133.2 Å²	133.2	67%	0.673	71%	0.709	S	S	*	*			trans	65.5	164.9	144.7	-63.2	-179.5	-30.9	0	0	118.4
1133	N	29.9	Very low	29.5	Very low	110 Å²	110	137.7 Å²	137.7	59%	0.588	72%	0.716	S	S	*	*			cis	-163.1	159.4	-20.7	-107.5	0.8	0	0	0	110.2
1134	N	27.5	Very low	29.6	Very low	133 Å²	133	137.3 Å²	137.3	71%	0.711	71%	0.711	S	S	*	*			trans	44.1	156	132.1	-57.2	0.1	0	0	0	122.4
1135	S	27.8	Very low	29.5	Very low	83 Å²	83	137.4 Å²	137.4	58%	0.58	71%	0.708	S	S	*	*			cis	-179.8	169.1	-21.2	59.6	0	0	0	0	109.3
1136	N	26.6	Very low	29.3	Very low	149 Å²	149	139.3 Å²	139.3	80%	0.797	71%	0.712	S	S	*	*			trans	40.9	102.2	141.1	-57.4	-9.6	0	0	0	119.9
1137	S	26.7	Very low	29.4	Very low	111 Å²	111	136.5 Å²	136.5	78%	0.776	71%	0.705	S	S	*	*				-175.1	126	127.5	31.9	0	0	0	0	108.3
1138	S	25.6	Very low	29.2	Very low	98 Å²	98	137.2 Å²	137.2	69%	0.685	71%	0.708	S	S	*	*			cis	86.8	124.4	37.4	84.8	0	0	0	0	114.5
1139	R	26.8	Very low	29	Very low	233 Å²	233	137.2 Å²	137.2	88%	0.879	71%	0.71	S	S	*	*			trans	67.5	159	159.6	-62.2	172.4	159.4	174.3	-7.1	117.1
1140	K	26.1	Very low	28.8	Very low	199 Å²	199	135 Å²	135	87%	0.865	71%	0.706	S	S	*	*			trans	67.6	146.1	166.8	-64.2	175.8	-178.7	-180	0	115.8
1141	S	26.5	Very low	28.8	Very low	94 Å²	94	136.2 Å²	136.2	66%	0.657	71%	0.705	S	S	*	*			cis	-166.7	132.9	-21.4	47.5	0	0	0	0	111
1142	S	25.4	Very low	28.6	Very low	93 Å²	93	134.4 Å²	134.4	65%	0.65	70%	0.703	S	S	*	*			trans	46.6	136.3	135.9	71.1	0	0	0	0	122
1143	K	27.1	Very low	28.5	Very low	192 Å²	192	134.6 Å²	134.6	84%	0.835	71%	0.707	S	S	*	*			trans	71.6	159.6	140.4	-76.7	176.7	178.2	-177.8	0	117.2
1144	P	30.4	Very low	28.4	Very low	90 Å²	90	133.1 Å²	133.1	58%	0.584	71%	0.706	S	S	*	*			cis	-136	-163.5	-32.2	36.3	-18	0	0	0	111.7
1145	Q	28.4	Very low	28.4	Very low	172 Å²	172	132.3 Å²	132.3	80%	0.804	70%	0.702	S	S	*	*			trans	69	114.2	152.3	-77.4	158	-7.8	0	0	116.4
1146	N	31.6	Very low	28.6	Very low	146 Å²	146	135.2 Å²	135.2	78%	0.781	71%	0.706	S	S	*	*			cis	59.9	139.2	22.5	-146.1	28.8	0	0	0	112.8
1147	P	34.6	Very low	28.6	Very low	91 Å²	91	132.6 Å²	132.6	59%	0.591	69%	0.691	S	S	*	*			cis	-106.1	-176.4	-7.9	23.1	-0.1	0	0	0	110.8
1148	K	30.9	Very low	28.6	Very low	173 Å²	173	131.4 Å²	131.4	75%	0.752	68%	0.682	S	S	*	*				172.8	154	78.9	-86.8	-170	174.1	-178.4	0	108.5
1149	Q	29.5	Very low	28.6	Very low	138 Å²	138	134.3 Å²	134.3	65%	0.645	68%	0.683	S	S	*	*			cis	-165.4	168.3	-19.7	-123.7	172	-37.1	0	0	106.6
1150	T	26.7	Very low	28.7	Very low	91 Å²	91	134.4 Å²	134.4	56%	0.558	68%	0.683	S	S	*	*			trans	14.8	134.5	149.9	63.1	0	0	0	0	119
1151	K	31.7	Very low	29.1	Very low	169 Å²	169	135.9 Å²	135.9	74%	0.735	68%	0.683	S	S	*	*			cis	-146.8	148.2	39.8	-111	121.3	-172.2	-171.6	0	110.4
1152	D	27.8	Very low	29.3	Very low	114 Å²	114	135.9 Å²	135.9	61%	0.61	68%	0.68	S	S	*	*				54.9	137.7	75.2	-32.5	-8.1	0	0	0	111.2
1153	L	31.1	Very low	29.3	Very low	147 Å²	147	141.7 Å²	141.7	77%	0.77	69%	0.688	S	S	*	*			cis	-112	136.3	-1.2	-78	85.4	0	0	0	107.7
1154	S	27.5	Very low	29.2	Very low	79 Å²	79	141.7 Å²	141.7	55%	0.552	69%	0.688	S	S	*	*				62.9	152	57.5	83.6	0	0	0	0	113.3
1155	D	28.1	Very low	28.9	Very low	117 Å²	117	141.4 Å²	141.4	63%	0.626	69%	0.688	S	S	*	*			trans	75.1	146.4	156.5	-58.7	-43.4	0	0	0	119.3
1156	H	30.8	Very low	28.7	Very low	144 Å²	144	137.9 Å²	137.9	67%	0.667	68%	0.679	S	S	*	*			cis	-143.6	146.4	2.1	-129.9	18.8	0	0	0	112.8
1157	I	28.2	Very low	28.4	Very low	94 Å²	94	139.5 Å²	139.5	48%	0.482	68%	0.682	S	S	.	*			trans	42.7	105.1	131.3	-72.3	179.1	0	0	0	115.6	K1159	I1157-K1159 HydrophobicContact CG2-CD 4.02Å
1158	S	25	Very low	28	Very low	85 Å²	85	139.2 Å²	139.2	59%	0.594	70%	0.695	S	S	*	*				61	161.3	64	90	0	0	0	0	113.8
1159	K	26.9	Very low	27.7	Very low	160 Å²	160	134 Å²	134	70%	0.696	69%	0.691	S	S	*	*			trans	70.8	132.2	-180	-52.5	153.5	-163.1	172.8	0	110.7	I1157	I1157-K1159 HydrophobicContact CG2-CD 4.02Å
1160	R	28.6	Very low	27.6	Very low	235 Å²	235	135.6 Å²	135.6	89%	0.887	70%	0.698	S	S	*	*			cis	-146.8	121.2	23.3	-119.5	144.5	176.8	-177	-1.4	112.2
1161	R	33.8	Very low	27.7	Very low	230 Å²	230	138.1 Å²	138.1	87%	0.868	70%	0.701	S	S	*	*				-39.2	157.5	126	-97.4	-175.9	-178.4	-176.1	1.4	110.1
1162	P	30.5	Very low	27.6	Very low	93 Å²	93	139.7 Å²	139.7	60%	0.604	70%	0.702	S	S	*	*			cis	-145.6	-156.1	4.2	31.1	-5	0	0	0	112.5
1163	R	25.2	Very low	27.9	Very low	216 Å²	216	139.1 Å²	139.1	82%	0.815	71%	0.707	S	S	*	*			trans	68.7	147.4	134.4	-91.7	-179.3	-173.2	150.8	-2.4	119.2
1164	K	25.8	Very low	28	Very low	191 Å²	191	137 Å²	137	83%	0.83	70%	0.702	S	S	*	*			trans	68.4	146.3	158.3	-71	178	176.4	-166.8	0	114.3
1165	S	24	Very low	28.1	Very low	84 Å²	84	139.1 Å²	139.1	59%	0.587	71%	0.712	S	S	*	*			cis	-167.3	-168.9	-13.2	46.6	0	0	0	0	107.5
1166	T	24.8	Very low	28.3	Very low	98 Å²	98	138.5 Å²	138.5	60%	0.601	72%	0.717	S	S	*	*			trans	60.6	116.5	146.8	44.4	0	0	0	0	116.4
1167	E	25	Very low	28.4	Very low	181 Å²	181	136.6 Å²	136.6	85%	0.846	72%	0.72	S	S	*	*				56.3	130.5	75.6	-61.9	179.7	118.2	0	0	113.2
1168	G	26	Very low	28.5	Very low	84 Å²	84	137.2 Å²	137.2	87%	0.866	73%	0.731	S	S	*	*			trans	81.6	116.1	-174.1	0	0	0	0	0	111.8
1169	G	25.5	Very low	29	Very low	65 Å²	65	136.6 Å²	136.6	67%	0.67	74%	0.738	S	S	*	*			cis	-172.4	177.1	9.6	0	0	0	0	0	112.6
1170	H	27.2	Very low	29.2	Very low	170 Å²	170	136.5 Å²	136.5	79%	0.787	74%	0.74	S	S	*	*				49.5	109.7	56.2	-79.3	0.7	0	0	0	110.3
1171	K	27.6	Very low	29.2	Very low	144 Å²	144	130.3 Å²	130.3	63%	0.626	73%	0.731	S	S	*	*			cis	-158.7	150.3	31.5	-94.2	133.9	-178.6	174.5	0	112.8
1172	R	30.1	Very low	29	Very low	202 Å²	202	123.7 Å²	123.7	76%	0.762	72%	0.721	S	S	*	*			trans	61.6	121.1	134.9	-62	168.5	-173.7	163.5	-0.4	116.7
1173	S	33.6	Very low	28.9	Very low	103 Å²	103	125 Å²	125	72%	0.72	73%	0.73	S	S	*	*				65.4	148.9	54.5	92.4	0	0	0	0	111.5
1174	P	34.6	Very low	29	Very low	101 Å²	101	119.6 Å²	119.6	66%	0.656	73%	0.726	S	S	*	*			cis	-144.1	-179.7	43.1	44.2	-24.6	0	0	0	116.9
1175	T	29.5	Very low	29.1	Very low	124 Å²	124	116 Å²	116	76%	0.761	73%	0.725	S	S	*	*			trans	27.5	148.6	137.6	60.7	0	0	0	0	120.2
1176	S	31.1	Very low	29.3	Very low	105 Å²	105	115.3 Å²	115.3	73%	0.734	73%	0.731	S	S	*	*			cis	-167.6	172.1	14.7	18.5	0	0	0	0	107.3
1177	S	33.6	Very low	29.3	Very low	103 Å²	103	115.8 Å²	115.8	72%	0.72	74%	0.738	S	S	*	*			cis	-152.6	148.4	10.9	14.1	0	0	0	0	107.3
1178	C	29.8	Very low	29.4	Very low	108 Å²	108	118.6 Å²	118.6	73%	0.73	74%	0.741	S	S	*	*				46.5	116.9	84.8	-163.8	0	0	0	0	113.1	H1180	C1178-H1180 VanDerWaalsContact SG-CD2 3.57Å
1179	G	35.3	Very low	29.4	Very low	71 Å²	71	118.8 Å²	118.8	73%	0.732	73%	0.729	S	S	*	*			cis	-158.4	-146.1	-0.6	0	0	0	0	0	110.2
1180	H	32.7	Very low	29.5	Very low	158 Å²	158	123.2 Å²	123.2	73%	0.731	73%	0.732	S	S	*	*			cis	-162.8	170.9	-4.6	-134.3	-77.9	0	0	0	108.7	C1178	C1178-H1180 VanDerWaalsContact SG-CD2 3.57Å
1181	C	28.5	Very low	29.6	Very low	105 Å²	105	124.4 Å²	124.4	71%	0.709	74%	0.735	S	S	*	*			trans	29.2	134.6	146.3	-80.5	0	0	0	0	121.1
1182	S	28.7	Very low	29.7	Very low	92 Å²	92	120.7 Å²	120.7	64%	0.643	74%	0.738	S	S	*	*			cis	-155.7	159.5	7.5	-66.8	0	0	0	0	107.9
1183	C	28.1	Very low	29.5	Very low	119 Å²	119	117 Å²	117	80%	0.804	74%	0.744	S	S	*	*				48.6	125.4	61.4	-55.8	0	0	0	0	111.6
1184	S	27.4	Very low	29.5	Very low	103 Å²	103	117.4 Å²	117.4	72%	0.72	74%	0.743	S	S	*	*				173.6	124	78	-82.8	0	0	0	0	105.8
1185	S	27.5	Very low	29.1	Very low	116 Å²	116	118.3 Å²	118.3	81%	0.811	75%	0.747	S	S	*	*				75.3	131.1	81.4	81.4	0	0	0	0	115.1
1186	G	27.8	Very low	29.1	Very low	70 Å²	70	119.6 Å²	119.6	72%	0.722	74%	0.744	S	S	*	*			trans	124	100.7	-178.6	0	0	0	0	0	110.2
1187	S	25.3	Very low	28.7	Very low	108 Å²	108	121.5 Å²	121.5	76%	0.755	74%	0.742	S	S	*	*			cis	81.7	141.3	33.8	97.8	0	0	0	0	114.1
1188	R	26.8	Very low	28.4	Very low	239 Å²	239	122.6 Å²	122.6	90%	0.902	74%	0.744	S	S	*	*			trans	71.2	148	179.6	-63.8	176.9	170.9	177.7	-4.6	114.9
1189	S	26.4	Very low	28.5	Very low	88 Å²	88	122.2 Å²	122.2	62%	0.615	74%	0.74	S	S	*	*			cis	-168	142.8	-15.2	45.2	0	0	0	0	110.7
1190	E	27.5	Very low	28.2	Very low	158 Å²	158	126.4 Å²	126.4	74%	0.738	74%	0.741	S	S	*	*			trans	42.5	157.4	135.7	-50.5	176.6	159.9	0	0	123
1191	K	28.9	Very low	28.1	Very low	195 Å²	195	125.8 Å²	125.8	85%	0.848	74%	0.738	S	S	*	*			trans	76.7	129.3	164.1	-52.6	165.7	-167.4	176.1	0	115.4
1192	G	30.1	Very low	28.3	Very low	66 Å²	66	127.8 Å²	127.8	68%	0.68	74%	0.737	S	S	*	*			cis	169.6	146.8	-12.8	0	0	0	0	0	115.4
1193	S	26.4	Very low	28.3	Very low	126 Å²	126	129.1 Å²	129.1	88%	0.881	74%	0.741	S	S	*	*			trans	74.7	160.7	145.2	-55.6	0	0	0	0	118.6
1194	P	34.5	Very low	28.5	Very low	110 Å²	110	127.3 Å²	127.3	71%	0.714	74%	0.743	S	S	*	*			trans	-112.6	-176.5	-157.8	42.5	-33.5	0	0	0	113.3
1195	T	26.3	Very low	28.5	Very low	121 Å²	121	129.6 Å²	129.6	74%	0.742	74%	0.742	S	S	*	*				172.7	159.6	127	30.4	0	0	0	0	112.5
1196	H	27.4	Very low	28.7	Very low	151 Å²	151	131.1 Å²	131.1	70%	0.699	75%	0.746	S	S	*	*			trans	26.2	150.6	147.1	-69.8	-85.7	0	0	0	122.3
1197	E	24.4	Very low	28.7	Very low	144 Å²	144	136.3 Å²	136.3	67%	0.673	75%	0.749	S	S	*	*			cis	-179.6	125	-26.8	-125.1	177.3	-172.2	0	0	109.1
1198	T	26.1	Very low	28.9	Very low	127 Å²	127	139.9 Å²	139.9	78%	0.779	76%	0.759	S	S	*	*			trans	58.6	-174.6	155.5	62	0	0	0	0	118.4
1199	P	32.8	Very low	29.1	Very low	99 Å²	99	132.6 Å²	132.6	64%	0.643	74%	0.744	S	S	*	*				-128.3	-168.2	-69.3	38.7	-23.8	0	0	0	113.9
1200	Q	28.1	Very low	29.4	Very low	160 Å²	160	138.8 Å²	138.8	75%	0.748	76%	0.756	S	S	*	*			trans	71.4	150.2	168.9	-61.3	169.5	-23.3	0	0	114.8
1201	H	30.8	Very low	29.9	Very low	144 Å²	144	138.5 Å²	138.5	67%	0.667	75%	0.753	S	S	*	*			cis	-164.8	169.2	-10.2	-106.9	-10.7	0	0	0	108.3
1202	Q	33.2	Very low	30.4	Very low	148 Å²	148	137.7 Å²	137.7	69%	0.692	74%	0.744	S	S	*	*			cis	-149.8	168.3	1.7	-135.3	169.4	40.4	0	0	113.4
1203	T	28.6	Very low	30.8	Very low	119 Å²	119	139.1 Å²	139.1	73%	0.73	74%	0.736	S	S	*	*			trans	-15.3	147	162.7	49.9	0	0	0	0	124.4
1204	G	32.5	Very low	31.4	Very low	81 Å²	81	135 Å²	135	84%	0.835	71%	0.714	S	S	*	*			trans	-174.3	72.9	158.1	0	0	0	0	0	113.3
1205	Q	27.2	Very low	31.7	Very low	152 Å²	152	134.6 Å²	134.6	71%	0.71	71%	0.705	S	S	*	*			trans	-92.7	145.1	-166.9	-65.1	-177.3	-5.4	0	0	115.8
1206	T	32.4	Very low	32.6	Very low	147 Å²	147	132.8 Å²	132.8	90%	0.902	69%	0.688	S	S	*	*			trans	-132.1	148.6	138.1	45.8	0	0	0	0	109.8
1207	K	26.4	Very low	33.4	Very low	180 Å²	180	132.1 Å²	132.1	78%	0.783	68%	0.683	S	S	*	*			trans	-105.1	122.7	-162.5	-59.4	170.5	-178.1	172.7	0	112
1208	L	30.3	Very low	34.3	Very low	183 Å²	183	128.3 Å²	128.3	96%	0.958	67%	0.667	S	S	*	*			trans	-168	52.8	161.9	-115.6	170	0	0	0	114.3
1209	S	30.3	Very low	35.1	Very low	85 Å²	85	126.6 Å²	126.6	59%	0.594	65%	0.646	S	S	*	*			trans	-119.5	-13.8	-174.6	51.7	0	0	0	0	116.6	F1211	S1209-F1211 PolarHBondContact O-N 2.99Å
1210	Y	32.5	Very low	35.6	Very low	219 Å²	219	126.4 Å²	126.4	86%	0.859	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-15.4	-165.8	-85.7	-90.3	0	0	0	116.7
1211	F	39.4	Very low	36.2	Very low	152 Å²	152	124.1 Å²	124.1	67%	0.667	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-20.6	-178.4	-102	-90.5	0	0	0	115.2	S1209	S1209-F1211 PolarHBondContact O-N 2.99Å
1212	R	39.2	Very low	36.6	Very low	177 Å²	177	123.6 Å²	123.6	67%	0.668	62%	0.623	S	S	*	*	H	α-helix	trans	-73	-34.2	-169.8	-144	171.9	-168.7	158.3	4.5	112.8	Q1216	R1212-Q1216 PolarHBondContact O-N 3.38Å
1213	D	38.6	Very low	36.9	Very low	96 Å²	96	120.5 Å²	120.5	51%	0.513	62%	0.623	S	S	.	*	H	α-helix	trans	-71.4	-34.4	-175.4	-102.3	33	0	0	0	114.4	Q1216 K1217	D1213-Q1216 PolarHBondContact O-N 2.79Å; D1213-K1217 WeakPolarHBondContact O-CB 3.22Å; D1213-K1217 WeakPolarHBondContact O-CG 3.47Å; D1213-K1217 PolarHBondContact O-N 3.38Å; D1213-K1217 IonicContact OD2-NZ 3.04Å; D1213-K1217 PolarHBondContact OD2-NZ 3.43Å
1214	G	37.8	Very low	37.2	Very low	40 Å²	40	118.5 Å²	118.5	41%	0.412	61%	0.613	S	S	.	*	H	α-helix	trans	-63.1	-46.3	-178.3	0	0	0	0	0	112	L1218	G1214-L1218 WeakPolarHBondContact O-CB 3.34Å; G1214-L1218 WeakPolarHBondContact O-CD1 3.39Å; G1214-L1218 WeakPolarHBondContact O-CG 3.41Å; G1214-L1218 PolarHBondContact O-N 2.93Å
1215	I	42.2	Very low	37.3	Very low	102 Å²	102	119 Å²	119	52%	0.523	59%	0.594	S	S	.	*	H	α-helix	trans	-69.7	-35.7	178.9	-61.4	178.4	0	0	0	111	L1218 R1219	I1215-L1218 PolarHBondContact O-N 3.49Å; I1215-R1219 PolarHBondContact O-N 3.14Å
1216	Q	43.9	Very low	37.6	Very low	82 Å²	82	120.3 Å²	120.3	38%	0.383	60%	0.597	S	S	.	*	H	α-helix	trans	-71.2	-39.7	177.7	-158.1	68.3	1.4	0	0	112.3	R1212 D1213 L1218 R1219 N1220	R1212-Q1216 PolarHBondContact O-N 3.38Å; D1213-Q1216 PolarHBondContact O-N 2.79Å; Q1216-L1218 VanDerWaalsContact C-N 3.33Å; Q1216-L1218 PolarHBondContact O-N 2.75Å; Q1216-R1219 PolarHBondContact O-N 3.31Å; Q1216-N1220 WeakPolarHBondContact O-CB 3.47Å; Q1216-N1220 VanDerWaalsContact O-CG 3.26Å; Q1216-N1220 PolarHBondContact O-N 3.12Å
1217	K	44	Very low	37.5	Very low	137 Å²	137	121.5 Å²	121.5	60%	0.596	59%	0.593	S	S	*	*	H	α-helix	trans	-62.4	-39	172.2	-75.7	168	179.7	158.4	0	111.7	D1213 N1220 K1221	D1213-K1217 WeakPolarHBondContact O-CB 3.22Å; D1213-K1217 WeakPolarHBondContact O-CG 3.47Å; D1213-K1217 PolarHBondContact O-N 3.38Å; D1213-K1217 IonicContact OD2-NZ 3.04Å; D1213-K1217 PolarHBondContact OD2-NZ 3.43Å; K1217-N1220 PolarHBondContact O-N 2.84Å; K1217-K1221 PolarHBondContact O-N 3.33Å
1218	L	44.1	Very low	37.6	Very low	65 Å²	65	122 Å²	122	34%	0.34	60%	0.595	S	S	.	*	H	α-helix	trans	-66.3	-46	172.9	-81.1	160	0	0	0	113.1	K143 G1214 I1215 Q1216 N1220 K1221 F1222	K143-L1218 VanDerWaalsContact NZ-CD1 3.27Å; G1214-L1218 WeakPolarHBondContact O-CB 3.34Å; G1214-L1218 WeakPolarHBondContact O-CD1 3.39Å; G1214-L1218 WeakPolarHBondContact O-CG 3.41Å; G1214-L1218 PolarHBondContact O-N 2.93Å; I1215-L1218 PolarHBondContact O-N 3.49Å; Q1216-L1218 VanDerWaalsContact C-N 3.33Å; Q1216-L1218 PolarHBondContact O-N 2.75Å; L1218-N1220 VanDerWaalsContact C-N 3.27Å; L1218-N1220 PolarHBondContact O-N 2.72Å; L1218-K1221 WeakPolarHBondContact O-CB 3.31Å; L1218-K1221 PolarHBondContact O-N 2.75Å; L1218-F1222 HydrophobicContact CD2-CE2 4.21Å; L1218-F1222 VanDerWaalsContact O-CD2 3.26Å; L1218-F1222 WeakPolarHBondContact O-CD2 3.09Å; L1218-F1222 PolarHBondContact O-N 3.29Å
1219	R	43.4	Very low	37.5	Very low	90 Å²	90	117.9 Å²	117.9	34%	0.34	58%	0.581	S	S	.	*	H	α-helix	trans	-61	-36.7	175.2	-79.1	-175.4	174.5	175.9	1.5	111.6	I1215 Q1216 F1222 A1223	I1215-R1219 PolarHBondContact O-N 3.14Å; Q1216-R1219 PolarHBondContact O-N 3.31Å; R1219-F1222 PolarHBondContact O-N 3.37Å; R1219-A1223 VanDerWaalsContact O-CB 3.3Å; R1219-A1223 WeakPolarHBondContact O-CB 3.39Å; R1219-A1223 PolarHBondContact O-N 3.05Å
1220	N	43.3	Very low	37.4	Very low	95 Å²	95	122.7 Å²	122.7	51%	0.508	59%	0.592	S	S	.	*	H	α-helix	trans	-71.3	-34	176.2	-70.8	-2.8	0	0	0	113.1	Q1216 K1217 L1218 S1224	Q1216-N1220 WeakPolarHBondContact O-CB 3.47Å; Q1216-N1220 VanDerWaalsContact O-CG 3.26Å; Q1216-N1220 PolarHBondContact O-N 3.12Å; K1217-N1220 PolarHBondContact O-N 2.84Å; L1218-N1220 VanDerWaalsContact C-N 3.27Å; L1218-N1220 PolarHBondContact O-N 2.72Å; N1220-S1224 PolarHBondContact O-N 2.8Å; N1220-S1224 PolarHBondContact O-OG 3.42Å
1221	K	40.5	Very low	37.3	Very low	112 Å²	112	120.3 Å²	120.3	49%	0.487	59%	0.589	S	S	.	*	H	α-helix	trans	-61.2	-55.1	167.4	-105.8	-178.8	167.1	-91	0	111.4	K1217 L1218 A1223 S1224 E1225	K1217-K1221 PolarHBondContact O-N 3.33Å; L1218-K1221 WeakPolarHBondContact O-CB 3.31Å; L1218-K1221 PolarHBondContact O-N 2.75Å; K1221-A1223 PolarHBondContact O-N 2.61Å; K1221-A1223 VanDerWaalsContact O-N 3.09Å; K1221-S1224 PolarHBondContact O-N 3.08Å; K1221-S1224 PolarHBondContact O-OG 2.89Å; K1221-E1225 IonicContact NZ-OE1 3.39Å; K1221-E1225 PolarHBondContact NZ-OE1 3.36Å; K1221-E1225 WeakPolarHBondContact O-CB 3.44Å; K1221-E1225 PolarHBondContact O-N 2.83Å
1222	F	38.4	Very low	36.7	Very low	134 Å²	134	119.7 Å²	119.7	59%	0.588	59%	0.592	S	S	*	*	H	α-helix	trans	-65.8	-15.1	-179.8	-73.4	-62.7	0	0	0	115	L1218 R1219	L1218-F1222 HydrophobicContact CD2-CE2 4.21Å; L1218-F1222 VanDerWaalsContact O-CD2 3.26Å; L1218-F1222 WeakPolarHBondContact O-CD2 3.09Å; L1218-F1222 PolarHBondContact O-N 3.29Å; R1219-F1222 PolarHBondContact O-N 3.37Å
1223	A	39.4	Very low	36.1	Very low	82 Å²	82	122 Å²	122	68%	0.678	60%	0.603	S	S	*	*	H	α-helix	trans	-89.8	-12.2	171.2	0	0	0	0	0	114.3	R1219 K1221	R1219-A1223 VanDerWaalsContact O-CB 3.3Å; R1219-A1223 WeakPolarHBondContact O-CB 3.39Å; R1219-A1223 PolarHBondContact O-N 3.05Å; K1221-A1223 PolarHBondContact O-N 2.61Å; K1221-A1223 VanDerWaalsContact O-N 3.09Å
1224	S	34.8	Very low	35.6	Very low	77 Å²	77	122.9 Å²	122.9	54%	0.538	61%	0.611	S	S	.	*	H	α-helix	trans	-114.2	-31.8	-180	51.1	0	0	0	0	113.5	N1220 K1221 K1226 Q1227	N1220-S1224 PolarHBondContact O-N 2.8Å; N1220-S1224 PolarHBondContact O-OG 3.42Å; K1221-S1224 PolarHBondContact O-N 3.08Å; K1221-S1224 PolarHBondContact O-OG 2.89Å; S1224-K1226 PolarHBondContact O-N 2.84Å; S1224-K1226 VanDerWaalsContact O-N 3.08Å; S1224-Q1227 PolarHBondContact O-N 3.49Å
1225	E	34.9	Very low	35	Very low	92 Å²	92	126.4 Å²	126.4	43%	0.43	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.2	6.3	174.4	-67.3	170.5	156.8	0	0	113.1	K1221 Q1227	K1221-E1225 IonicContact NZ-OE1 3.39Å; K1221-E1225 PolarHBondContact NZ-OE1 3.36Å; K1221-E1225 WeakPolarHBondContact O-CB 3.44Å; K1221-E1225 PolarHBondContact O-N 2.83Å; E1225-Q1227 VanDerWaalsContact C-N 3.34Å
1226	K	33.7	Very low	34.2	Very low	179 Å²	179	131.8 Å²	131.8	78%	0.778	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	15.8	170	-80	-162.2	172.7	-167.4	0	114.3	S1224	S1224-K1226 PolarHBondContact O-N 2.84Å; S1224-K1226 VanDerWaalsContact O-N 3.08Å
1227	Q	31.7	Very low	33.4	Very low	173 Å²	173	137.6 Å²	137.6	81%	0.808	67%	0.665	S	S	*	*	S	Bend	trans	-159.1	123.5	161.1	-110	159.2	11.1	0	0	111.5	S1224 E1225	S1224-Q1227 PolarHBondContact O-N 3.49Å; E1225-Q1227 VanDerWaalsContact C-N 3.34Å
1228	K	27.5	Very low	32.6	Very low	190 Å²	190	139.1 Å²	139.1	83%	0.826	67%	0.674	S	S	*	*	S	Bend	trans	82.4	131.1	-176.8	-52.6	177.7	180	-177.4	0	115.1
1229	S	27.6	Very low	31.8	Very low	96 Å²	96	141 Å²	141	67%	0.671	69%	0.692	S	S	*	*			trans	60.8	134.7	-163.9	74	0	0	0	0	114.2
1230	F	28.4	Very low	30.9	Very low	186 Å²	186	141.5 Å²	141.5	82%	0.816	71%	0.71	S	S	*	*			cis	-88.3	112.7	-7.1	-89.9	-115	0	0	0	112.1
1231	E	30	Very low	30.1	Very low	170 Å²	170	141.3 Å²	141.3	79%	0.794	72%	0.716	S	S	*	*			trans	-80.5	152.8	133	-67.7	173.8	113.9	0	0	106.4
1232	N	28	Very low	29.4	Very low	139 Å²	139	143 Å²	143	74%	0.743	73%	0.729	S	S	*	*	S	Bend	trans	87.1	58.4	-169.7	-52	-28.8	0	0	0	117.3
1233	Y	26.1	Very low	28.7	Very low	225 Å²	225	142 Å²	142	88%	0.882	74%	0.738	S	S	*	*				-163.2	74.6	128.8	-115.6	-73.7	0	0	0	110.3
1234	V	27.1	Very low	28	Very low	114 Å²	114	148 Å²	148	69%	0.691	75%	0.749	S	S	*	*			trans	-127.4	111	178.1	177.5	0	0	0	0	109.3	R1236	V1234-R1236 VanDerWaalsContact C-N 3.34Å; V1234-R1236 PolarHBondContact O-N 3.05Å
1235	P	27.1	Very low	27.6	Very low	114 Å²	114	149.6 Å²	149.6	74%	0.74	76%	0.76	S	S	*	*			trans	-65.9	92.2	166.1	-19.1	33.2	0	0	0	109.8	F1237	P1235-F1237 PolarHBondContact O-N 3.22Å
1236	R	25.1	Very low	27	Very low	216 Å²	216	156.5 Å²	156.5	82%	0.815	78%	0.782	S	S	*	*			trans	-66.2	114.9	175.6	-75.1	-179	175.1	172	-0.6	110.1	V1234	V1234-R1236 VanDerWaalsContact C-N 3.34Å; V1234-R1236 PolarHBondContact O-N 3.05Å
1237	F	26.9	Very low	26.7	Very low	203 Å²	203	154.7 Å²	154.7	89%	0.89	78%	0.781	S	S	*	*			trans	-120.8	79.2	152.7	-83	-72.8	0	0	0	110.1	P1235	P1235-F1237 PolarHBondContact O-N 3.22Å
1238	H	27	Very low	26.4	Very low	169 Å²	169	150.8 Å²	150.8	78%	0.782	77%	0.773	S	S	*	*			trans	-98.1	176.3	160.6	-96.6	-62.5	0	0	0	109.7
1239	S	26.6	Very low	26.3	Very low	105 Å²	105	152.7 Å²	152.7	73%	0.734	78%	0.775	S	S	*	*			trans	66.1	122.3	-166.6	71	0	0	0	0	113.1
1240	S	25.4	Very low	26.3	Very low	101 Å²	101	152.2 Å²	152.2	71%	0.706	77%	0.772	S	S	*	*			cis	93.5	133.6	29.5	80.1	0	0	0	0	114.6
1241	S	25.6	Very low	26.4	Very low	91 Å²	91	152 Å²	152	64%	0.636	77%	0.774	S	S	*	*			trans	56.8	111.9	155.5	55.7	0	0	0	0	120.4
1242	I	25	Very low	26.1	Very low	148 Å²	148	148.5 Å²	148.5	76%	0.759	77%	0.768	S	S	*	*				75.2	145.8	127	-62.4	167.7	0	0	0	118.7
1243	S	24.8	Very low	26	Very low	112 Å²	112	150.2 Å²	150.2	78%	0.783	77%	0.772	S	S	*	*			trans	68.7	155.4	159	68.4	0	0	0	0	121.8
1244	K	24.2	Very low	26.1	Very low	209 Å²	209	143.5 Å²	143.5	91%	0.909	76%	0.762	S	S	*	*			trans	-90.2	126.5	-175.2	-53.1	158.7	179.6	172.3	0	110.3
1245	S	26.2	Very low	26.1	Very low	110 Å²	110	143 Å²	143	77%	0.769	76%	0.764	S	S	*	*			trans	-176	143.6	150.9	44.8	0	0	0	0	106.2
1246	R	23.2	Very low	26.3	Very low	236 Å²	236	148.6 Å²	148.6	89%	0.891	77%	0.77	S	S	*	*			cis	76.5	66.5	14.8	-149.2	-176.2	-161	-163.8	4.7	116.3
1247	N	27.5	Very low	26.5	Very low	141 Å²	141	147.8 Å²	147.8	75%	0.754	77%	0.773	S	S	*	*			trans	-154.7	137	134	-77	-32.5	0	0	0	104.6
1248	S	24.4	Very low	26.8	Very low	92 Å²	92	142.8 Å²	142.8	64%	0.643	76%	0.763	S	S	*	*			cis	73	164.1	37.5	82	0	0	0	0	114.2
1249	W	26.7	Very low	26.9	Very low	229 Å²	229	140.3 Å²	140.3	87%	0.867	76%	0.76	S	S	*	*			trans	75.9	137.9	-162.1	-59.7	75.5	0	0	0	112.9
1250	S	26.8	Very low	27.2	Very low	87 Å²	87	142.3 Å²	142.3	61%	0.608	76%	0.762	S	S	*	*			cis	172.3	173.6	-22.1	44	0	0	0	0	103.7
1251	E	29.9	Very low	27.6	Very low	182 Å²	182	142.7 Å²	142.7	85%	0.85	77%	0.765	S	S	*	*			cis	-142.3	164.5	20.3	-61.4	156	162.5	0	0	107.4
1252	S	25.3	Very low	28	Very low	96 Å²	96	146 Å²	146	67%	0.671	78%	0.775	S	S	*	*			cis	-136.6	177.9	-4.7	68	0	0	0	0	108.1
1253	E	25.6	Very low	28.4	Very low	175 Å²	175	143.6 Å²	143.6	82%	0.818	77%	0.771	S	S	*	*			cis	-158.2	-175.6	7.6	-141.2	141.7	171.2	0	0	111.3
1254	A	28.5	Very low	28.8	Very low	83 Å²	83	143.2 Å²	143.2	69%	0.686	76%	0.76	S	S	*	*			trans	56.9	76.9	155.7	0	0	0	0	0	122.3
1255	S	25.9	Very low	29.4	Very low	104 Å²	104	136.6 Å²	136.6	73%	0.727	74%	0.735	S	S	*	*				59.8	128.9	124	68.3	0	0	0	0	125.6
1256	R	32.7	Very low	29.8	Very low	232 Å²	232	132.6 Å²	132.6	88%	0.875	71%	0.707	S	S	*	*			trans	80.6	90.1	138.4	-67.2	168.9	-176.5	-162.3	3.5	123.2
1257	K	29.3	Very low	30.3	Very low	198 Å²	198	128.6 Å²	128.6	86%	0.861	70%	0.701	S	S	*	*				61.6	138.3	128.1	-65.4	-174	174.6	-179.7	0	124.1
1258	S	31.3	Very low	30.4	Very low	98 Å²	98	126.2 Å²	126.2	69%	0.685	70%	0.696	S	S	*	*			trans	88.5	107.5	140	32.9	0	0	0	0	124.5
1259	T	31.1	Very low	30.7	Very low	118 Å²	118	127.1 Å²	127.1	72%	0.724	70%	0.698	S	S	*	*			trans	70.2	122.4	130.8	51	0	0	0	0	124.7
1260	D	32.9	Very low	30.8	Very low	147 Å²	147	123.2 Å²	123.2	79%	0.786	69%	0.694	S	S	*	*			trans	75.7	104.4	132.5	-57.9	-8.5	0	0	0	124.7
1261	S	32.5	Very low	30.8	Very low	108 Å²	108	124 Å²	124	76%	0.755	70%	0.7	S	S	*	*				95.3	136.9	128.4	78.1	0	0	0	0	124
1262	L	33.4	Very low	30.8	Very low	161 Å²	161	121 Å²	121	84%	0.843	70%	0.698	S	S	*	*			trans	78.9	139.4	150.9	-71.2	164.2	0	0	0	124.2
1263	S	34.3	Very low	30.9	Very low	97 Å²	97	121.2 Å²	121.2	68%	0.678	70%	0.698	S	S	*	*			trans	47.3	124.8	156.2	25.8	0	0	0	0	126.4
1264	N	33.5	Very low	30.8	Very low	104 Å²	104	119 Å²	119	56%	0.556	70%	0.696	S	S	*	*			trans	69.9	71.8	131.9	-55.9	-3	0	0	0	125	Q1997 Q1998	N1264-Q1997 PolarHBondContact O-NE2 3.39Å; N1264-Q1998 PolarHBondContact O-N 2.98Å
1265	N	35.7	Very low	30.9	Very low	71 Å²	71	120.9 Å²	120.9	38%	0.38	70%	0.699	S	S	.	*				107.8	-134.9	103.4	-82.7	-1.4	0	0	0	124.2	N1995 L1996 Q1997	N1265-N1995 WeakPolarHBondContact OD1-CA 3.42Å; N1265-N1995 PolarHBondContact OD1-N 3.14Å; N1265-L1996 VanDerWaalsContact CB-C 3.48Å; N1265-L1996 PolarHBondContact ND2-N 3.41Å; N1265-L1996 WeakPolarHBondContact O-CD2 3.36Å; N1265-Q1997 VanDerWaalsContact C-OE1 3.28Å; N1265-Q1997 PolarHBondContact O-NE2 3.24Å; N1265-Q1997 VanDerWaalsContact O-NE2 3.16Å; N1265-Q1997 PolarHBondContact O-OE1 3.21Å
1266	S	35.8	Very low	31	Very low	26 Å²	26	123.9 Å²	123.9	18%	0.182	70%	0.701	C	S	.	*			trans	-99.1	162.3	-161.3	97.6	0	0	0	0	130.8	L1996 Q1997	S1266-L1996 VanDerWaalsContact CA-CD2 3.46Å; S1266-L1996 VanDerWaalsContact CB-CA 3.46Å; S1266-L1996 VanDerWaalsContact N-CA 3.34Å; S1266-L1996 VanDerWaalsContact N-CD2 3.3Å; S1266-Q1997 VanDerWaalsContact C-CD 3.47Å; S1266-Q1997 VanDerWaalsContact CA-CB 3.46Å; S1266-Q1997 VanDerWaalsContact CA-CD 3.49Å; S1266-Q1997 VanDerWaalsContact N-CG 3.27Å; S1266-Q1997 VanDerWaalsContact N-N 3.2Å; S1266-Q1997 VanDerWaalsContact N-OE1 3.08Å; S1266-Q1997 WeakPolarHBondContact O-CB 3.42Å; S1266-Q1997 WeakPolarHBondContact O-CG 3.42Å; S1266-Q1997 PolarHBondContact O-OE1 2.61Å; S1266-Q1997 WeakPolarHBondContact OG-CB 3.42Å
1267	I	32.4	Very low	31	Very low	152 Å²	152	118.7 Å²	118.7	78%	0.779	70%	0.696	S	S	*	*				-155.9	-160.3	99.7	-127.8	156.1	0	0	0	108.8
1268	S	30.9	Very low	31.1	Very low	90 Å²	90	114.2 Å²	114.2	63%	0.629	69%	0.689	S	S	*	*			trans	-94.9	177.4	-171.5	60.8	0	0	0	0	115.9
1269	T	29.8	Very low	31	Very low	112 Å²	112	117.4 Å²	117.4	69%	0.687	70%	0.698	S	S	*	*			trans	76.7	112.7	153	32.4	0	0	0	0	120.8
1270	D	28.9	Very low	31	Very low	146 Å²	146	116.7 Å²	116.7	78%	0.781	70%	0.698	S	S	*	*			trans	73.6	161.7	138.9	-57.9	-23	0	0	0	123.2
1271	S	26.8	Very low	30.7	Very low	105 Å²	105	114.1 Å²	114.1	73%	0.734	69%	0.691	S	S	*	*			trans	65.3	70.1	172.1	47.3	0	0	0	0	120.1
1272	S	30.6	Very low	30.7	Very low	118 Å²	118	115.5 Å²	115.5	83%	0.825	69%	0.69	S	S	*	*			trans	63.9	-144.7	134.1	69.3	0	0	0	0	116.4
1273	P	27.3	Very low	30.5	Very low	101 Å²	101	113 Å²	113	66%	0.656	68%	0.681	S	S	*	*	S	Bend	trans	-93	146	-159.1	37.2	-37.9	0	0	0	116.9
1274	T	24.2	Very low	30.3	Very low	128 Å²	128	116.6 Å²	116.6	79%	0.785	69%	0.687	S	S	*	*			trans	63.6	173.8	153.2	49.6	0	0	0	0	118.2
1275	V	30.8	Very low	30.1	Very low	123 Å²	123	115.6 Å²	115.6	75%	0.745	69%	0.689	S	S	*	*			trans	71	128.2	179.8	-168.9	0	0	0	0	112.3
1276	E	27	Very low	29.8	Very low	167 Å²	167	122.1 Å²	122.1	78%	0.78	71%	0.709	S	S	*	*			cis	118.1	139.5	15.6	-81.2	-175.1	160.3	0	0	112
1277	T	31.6	Very low	29.5	Very low	123 Å²	123	131.7 Å²	131.7	76%	0.755	74%	0.742	S	S	*	*			trans	68.5	140.9	155.3	48.8	0	0	0	0	124.1
1278	S	31.4	Very low	29.3	Very low	104 Å²	104	128.4 Å²	128.4	73%	0.727	73%	0.732	S	S	*	*			trans	63.5	139.3	156.3	30.1	0	0	0	0	119.2
1279	L	30.9	Very low	29.2	Very low	165 Å²	165	131.9 Å²	131.9	86%	0.864	74%	0.738	S	S	*	*			cis	100.6	136.8	30.3	-77.6	167.6	0	0	0	114.7
1280	S	29.9	Very low	29.1	Very low	103 Å²	103	131 Å²	131	72%	0.72	74%	0.737	S	S	*	*			trans	62.3	107	159.9	55.3	0	0	0	0	122.2
1281	S	27.9	Very low	29.1	Very low	92 Å²	92	130.9 Å²	130.9	64%	0.643	74%	0.737	S	S	*	*				77.7	154.8	114.8	78.8	0	0	0	0	123.9
1282	D	31.6	Very low	29	Very low	138 Å²	138	132.3 Å²	132.3	74%	0.738	74%	0.741	S	S	*	*			trans	72.3	141.8	149.6	-55.2	-30.8	0	0	0	120.7
1283	T	29.1	Very low	28.9	Very low	108 Å²	108	133.6 Å²	133.6	66%	0.663	74%	0.738	S	S	*	*			cis	-164.5	169.6	-34.5	1.6	0	0	0	0	109.5
1284	E	31	Very low	29.3	Very low	172 Å²	172	135.4 Å²	135.4	80%	0.804	74%	0.743	S	S	*	*			trans	67	153.7	155.1	-72.9	170	-140.6	0	0	119.9
1285	S	27.6	Very low	29.3	Very low	84 Å²	84	133.5 Å²	133.5	59%	0.587	74%	0.735	S	S	*	*			cis	-165	167.9	-21.3	53.4	0	0	0	0	113.5
1286	Y	30.9	Very low	29.2	Very low	207 Å²	207	134.9 Å²	134.9	81%	0.812	74%	0.736	S	S	*	*			trans	76.5	128.5	158.5	-77.8	-69	0	0	0	124
1287	R	29.9	Very low	29.3	Very low	227 Å²	227	131.7 Å²	131.7	86%	0.857	73%	0.733	S	S	*	*			trans	67.4	149.8	151.8	-75.2	-179.3	173.3	168.7	-1.3	118.7
1288	S	26.8	Very low	29	Very low	84 Å²	84	130.9 Å²	130.9	59%	0.587	73%	0.732	S	S	*	*			cis	-179.6	153.4	-28.5	-113.9	0	0	0	0	107.4
1289	E	29.4	Very low	28.8	Very low	162 Å²	162	131 Å²	131	76%	0.757	73%	0.732	S	S	*	*			trans	39.4	110.7	157.9	-68.3	121.7	-102.4	0	0	119.5
1290	S	26.7	Very low	28.7	Very low	95 Å²	95	127.9 Å²	127.9	66%	0.664	72%	0.724	S	S	*	*				81.6	146.9	60.5	76	0	0	0	0	116.2
1291	N	29.4	Very low	28.6	Very low	143 Å²	143	127.8 Å²	127.8	77%	0.765	72%	0.724	S	S	*	*			trans	89	97.3	170	-55.2	-21.3	0	0	0	118.1
1292	T	26	Very low	28.6	Very low	134 Å²	134	128 Å²	128	82%	0.822	73%	0.725	S	S	*	*				17.2	120.1	129.1	54.9	0	0	0	0	119.3
1293	D	28	Very low	28.4	Very low	145 Å²	145	129.3 Å²	129.3	78%	0.775	73%	0.727	S	S	*	*			trans	-160.4	169.8	149.2	-127.3	-29.3	0	0	0	112.5
1294	N	34.3	Very low	28.3	Very low	139 Å²	139	130.4 Å²	130.4	74%	0.743	73%	0.729	S	S	*	*			trans	58.4	100.6	168.4	-58.1	-47.8	0	0	0	117.4
1295	S	26.2	Very low	28.4	Very low	89 Å²	89	130.4 Å²	130.4	62%	0.622	73%	0.731	S	S	*	*			cis	83.3	131.2	18.4	117.6	0	0	0	0	117.6
1296	I	28.4	Very low	28.4	Very low	152 Å²	152	131.8 Å²	131.8	78%	0.779	74%	0.736	S	S	*	*			trans	80.1	154.6	149	-63	170.6	0	0	0	119.9
1297	S	28.5	Very low	28.4	Very low	100 Å²	100	129.1 Å²	129.1	70%	0.699	74%	0.736	S	S	*	*			trans	71.8	87.4	164.1	42.9	0	0	0	0	120.9
1298	S	25.9	Very low	28.4	Very low	106 Å²	106	127.4 Å²	127.4	74%	0.741	73%	0.734	S	S	*	*				-1.7	150.7	122.5	57.3	0	0	0	0	121.4
1299	S	27.1	Very low	28.6	Very low	105 Å²	105	128.2 Å²	128.2	73%	0.734	74%	0.74	S	S	*	*			trans	104.1	144.2	138.4	78.3	0	0	0	0	120.7
1300	S	27.5	Very low	28.8	Very low	100 Å²	100	128 Å²	128	70%	0.699	74%	0.744	S	S	*	*			trans	58.3	112.1	153.7	56.2	0	0	0	0	121.9
1301	S	28.6	Very low	28.9	Very low	102 Å²	102	129 Å²	129	71%	0.713	75%	0.749	S	S	*	*				71.2	127	122.4	69.4	0	0	0	0	123
1302	S	27.2	Very low	29.1	Very low	95 Å²	95	129.5 Å²	129.5	66%	0.664	75%	0.749	S	S	*	*			trans	68.5	117.1	130.1	64.4	0	0	0	0	121.8
1303	E	28.5	Very low	29.4	Very low	166 Å²	166	131 Å²	131	78%	0.776	75%	0.747	S	S	*	*				84.2	111.2	124.1	-71.8	-169.5	-151.5	0	0	122.8
1304	N	27.7	Very low	29.6	Very low	131 Å²	131	129.1 Å²	129.1	70%	0.701	75%	0.745	S	S	*	*				84.3	157.4	122.3	-68.1	-31.5	0	0	0	121.5
1305	M	31.5	Very low	29.8	Very low	172 Å²	172	127.1 Å²	127.1	85%	0.847	74%	0.739	S	S	*	*			trans	70.6	100.7	173.1	-47.2	-154.6	75.8	0	0	115.5
1306	V	27.5	Very low	30	Very low	114 Å²	114	130.2 Å²	130.2	69%	0.691	75%	0.747	S	S	*	*				76.4	101.5	55.2	-178.3	0	0	0	0	114.1
1307	N	32.3	Very low	30.3	Very low	151 Å²	151	128.4 Å²	128.4	81%	0.807	74%	0.744	S	S	*	*			trans	-172.2	126.1	134.6	-87	-35.2	0	0	0	107.4
1308	K	28	Very low	30.3	Very low	191 Å²	191	129.7 Å²	129.7	83%	0.83	75%	0.748	S	S	*	*				75.5	97.7	54.1	-88.7	-165.7	170.8	-176.2	0	115.7
1309	S	32.8	Very low	30.5	Very low	101 Å²	101	129 Å²	129	71%	0.706	75%	0.748	S	S	*	*			trans	-173.3	128.1	138.1	52.5	0	0	0	0	112.2
1310	N	32.2	Very low	30.6	Very low	156 Å²	156	129.5 Å²	129.5	83%	0.834	75%	0.747	S	S	*	*			trans	47.2	146.4	132.8	-46.1	-7.5	0	0	0	119.9
1311	C	29.7	Very low	30.6	Very low	116 Å²	116	136.6 Å²	136.6	78%	0.784	76%	0.758	S	S	*	*			cis	-170.3	172.4	-7.7	-103	0	0	0	0	106.5
1312	M	33.7	Very low	30.6	Very low	154 Å²	154	140.8 Å²	140.8	76%	0.759	76%	0.763	S	S	*	*			cis	-127.2	-152.9	-0.7	-120.1	178.5	164.5	0	0	108
1313	E	30.8	Very low	30.6	Very low	167 Å²	167	146.6 Å²	146.6	78%	0.78	77%	0.771	S	S	*	*			cis	73.8	126.5	23.6	-51.9	-168.2	160.1	0	0	116.8
1314	S	33.7	Very low	30.6	Very low	104 Å²	104	144.8 Å²	144.8	73%	0.727	76%	0.76	S	S	*	*			cis	-164.7	-159.8	-3.4	64.9	0	0	0	0	109.2
1315	P	37.2	Very low	30.8	Very low	97 Å²	97	146.8 Å²	146.8	63%	0.63	77%	0.766	S	S	*	*			cis	-136.8	155.1	-23.9	33.2	-13.7	0	0	0	116.7
1316	I	31.8	Very low	30.8	Very low	154 Å²	154	144.2 Å²	144.2	79%	0.79	76%	0.76	S	S	*	*			trans	66.3	152.7	136.4	-65.6	172	0	0	0	118.6
1317	T	33.8	Very low	30.8	Very low	114 Å²	114	147.6 Å²	147.6	70%	0.699	76%	0.76	S	S	*	*			cis	-132.5	123.4	12.9	11.3	0	0	0	0	110.3
1318	T	29.8	Very low	30.6	Very low	128 Å²	128	148.4 Å²	148.4	79%	0.785	76%	0.763	S	S	*	*				52.3	137.9	100.2	65.8	0	0	0	0	117.6
1319	A	29.2	Very low	30.5	Very low	90 Å²	90	143.7 Å²	143.7	74%	0.744	76%	0.755	S	S	*	*			cis	-157.8	172.8	-3.5	0	0	0	0	0	107.6
1320	V	28.4	Very low	30.2	Very low	117 Å²	117	143.9 Å²	143.9	71%	0.709	76%	0.756	S	S	*	*	S	Bend	cis	-145.7	116.2	31.1	176.3	0	0	0	0	110.5
1321	R	28.7	Very low	30.1	Very low	249 Å²	249	142.7 Å²	142.7	94%	0.94	75%	0.754	S	S	*	*	S	Bend	trans	-136.5	21.3	167.5	-154	175.7	177.7	168.8	0.7	113.7
1322	K	27.4	Very low	30	Very low	189 Å²	189	146.9 Å²	146.9	82%	0.822	75%	0.753	S	S	*	*			trans	-139.6	64.3	176.4	-75.6	-167.3	175.4	-179.5	0	113.1
1323	R	28.8	Very low	29.8	Very low	218 Å²	218	146.9 Å²	146.9	82%	0.823	75%	0.751	S	S	*	*	S	Bend	trans	-142.2	114.9	151.6	-78.7	-175.9	179.6	177.9	0.2	102.9
1324	F	27.4	Very low	29.6	Very low	128 Å²	128	144 Å²	144	56%	0.561	75%	0.749	S	S	*	*	S	Bend	cis	-147.6	41.1	38.2	-132.8	-138.7	0	0	0	113.8	T1326 R1327	F1324-T1326 PolarHBondContact O-N 3.39Å; F1324-R1327 HydrophobicContact CD1-CB 4.05Å; F1324-R1327 HydrophobicContact CD1-CG 3.98Å; F1324-R1327 HydrophobicContact CE1-CB 4.15Å; F1324-R1327 VanDerWaalsContact CE1-CD 3.46Å; F1324-R1327 HydrophobicContact CE1-CG 3.63Å; F1324-R1327 HydrophobicContact CZ-CG 4.11Å; F1324-R1327 PolarHBondContact O-N 2.93Å
1325	Q	33.2	Very low	29.2	Very low	173 Å²	173	146.3 Å²	146.3	81%	0.808	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	27.8	176.8	-154.1	170.3	8.7	0	0	113.7
1326	T	30.8	Very low	28.7	Very low	118 Å²	118	147.8 Å²	147.8	72%	0.724	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.8	27.6	-172.1	36.1	0	0	0	0	111.9	F1324	F1324-T1326 PolarHBondContact O-N 3.39Å
1327	R	27	Very low	28.5	Very low	185 Å²	185	145.8 Å²	145.8	70%	0.698	76%	0.759	S	S	*	*			trans	-122.1	33.6	156.4	-77.5	-148.7	-175	160	-2.1	113.1	F1324 S1329	F1324-R1327 HydrophobicContact CD1-CB 4.05Å; F1324-R1327 HydrophobicContact CD1-CG 3.98Å; F1324-R1327 HydrophobicContact CE1-CB 4.15Å; F1324-R1327 VanDerWaalsContact CE1-CD 3.46Å; F1324-R1327 HydrophobicContact CE1-CG 3.63Å; F1324-R1327 HydrophobicContact CZ-CG 4.11Å; F1324-R1327 PolarHBondContact O-N 2.93Å; R1327-S1329 PolarHBondContact O-N 2.83Å
1328	L	27.4	Very low	28.1	Very low	167 Å²	167	146.3 Å²	146.3	87%	0.874	76%	0.756	S	S	*	*			trans	-86	62.4	164.3	-87.2	166.7	0	0	0	110.7
1329	S	26.6	Very low	27.8	Very low	93 Å²	93	146.3 Å²	146.3	65%	0.65	76%	0.756	S	S	*	*	S	Bend	trans	-171.2	118.9	169.8	50.4	0	0	0	0	109.9	R1327	R1327-S1329 PolarHBondContact O-N 2.83Å
1330	S	26	Very low	27.6	Very low	105 Å²	105	148.7 Å²	148.7	73%	0.734	76%	0.757	S	S	*	*			trans	61.5	131.9	-160.5	79	0	0	0	0	112.1
1331	V	30.2	Very low	27.8	Very low	130 Å²	130	147.9 Å²	147.9	79%	0.788	76%	0.762	S	S	*	*			cis	-138.6	135.9	13.1	169.6	0	0	0	0	106.2
1332	R	27.6	Very low	27.5	Very low	205 Å²	205	141.9 Å²	141.9	77%	0.774	75%	0.748	S	S	*	*			cis	69.8	81.3	41.2	-75.9	-158.9	171.4	-163.1	-0.8	114.5
1333	H	29.3	Very low	27.4	Very low	154 Å²	154	140.7 Å²	140.7	71%	0.713	74%	0.743	S	S	*	*			cis	-147.3	-170.1	19.2	-76.1	-91.4	0	0	0	108.3
1334	S	27.5	Very low	27.3	Very low	106 Å²	106	140 Å²	140	74%	0.741	74%	0.74	S	S	*	*			cis	-149.8	137.2	20.4	-60.7	0	0	0	0	113.6
1335	I	24.9	Very low	27.4	Very low	153 Å²	153	142.6 Å²	142.6	79%	0.785	75%	0.754	S	S	*	*			trans	-119.5	124.4	162.1	-64.4	169.1	0	0	0	106.4
1336	T	26.1	Very low	27.1	Very low	127 Å²	127	139.5 Å²	139.5	78%	0.779	74%	0.743	S	S	*	*			trans	-164.4	149.3	164.2	12	0	0	0	0	111.7
1337	S	27.8	Very low	27.1	Very low	113 Å²	113	143 Å²	143	79%	0.79	75%	0.749	S	S	*	*			trans	62.3	89.9	174.9	-157	0	0	0	0	114.7
1338	I	25.2	Very low	27.2	Very low	125 Å²	125	140.7 Å²	140.7	64%	0.641	75%	0.75	S	S	*	*			cis	61.2	91.2	19.4	-53.1	-178	0	0	0	113.9	N1340	I1338-N1340 PolarHBondContact O-N 2.05Å
1339	T	24.6	Very low	27.4	Very low	127 Å²	127	138.9 Å²	138.9	78%	0.779	75%	0.751	S	S	*	*	S	Bend		43	73.1	126.3	-38.6	0	0	0	0	117.6
1340	N	24.3	Very low	27.4	Very low	141 Å²	141	137.7 Å²	137.7	75%	0.754	75%	0.754	S	S	*	*			trans	-167.3	74.8	153.3	-103.2	-29.1	0	0	0	114.6	I1338	I1338-N1340 PolarHBondContact O-N 2.05Å
1341	A	32.1	Very low	27.5	Very low	100 Å²	100	143.8 Å²	143.8	83%	0.826	76%	0.761	S	S	*	*			trans	-168.4	93.8	157.6	0	0	0	0	0	108.9
1342	L	23.9	Very low	27.3	Very low	122 Å²	122	144.2 Å²	144.2	64%	0.639	76%	0.758	S	S	*	*			cis	65.3	115.4	14.9	-83	178.8	0	0	0	117.1
1343	F	25.3	Very low	27.3	Very low	164 Å²	164	141.7 Å²	141.7	72%	0.719	76%	0.759	S	S	*	*			trans	88.2	126.4	161.5	-71.7	-71.8	0	0	0	122.5
1344	R	27	Very low	27.2	Very low	203 Å²	203	140.7 Å²	140.7	77%	0.766	76%	0.758	S	S	*	*			trans	72.2	132.4	157.7	-56.4	147	-165.5	-89.7	6.4	114.9
1345	Q	29.4	Very low	27.1	Very low	183 Å²	183	142.5 Å²	142.5	86%	0.855	76%	0.755	S	S	*	*			cis	-128.9	136.4	26.1	-62.9	169.3	-0.8	0	0	110.6
1346	D	26.3	Very low	27.2	Very low	108 Å²	108	142 Å²	142	58%	0.578	75%	0.747	S	S	*	*				75.6	94.8	57.7	-79.9	-49.1	0	0	0	116.2
1347	K	31.7	Very low	27.1	Very low	193 Å²	193	143.7 Å²	143.7	84%	0.839	75%	0.746	S	S	*	*			trans	169.2	108.7	130.5	-88.9	149.7	-170.3	170.3	0	109.3
1348	N	28	Very low	27.1	Very low	136 Å²	136	143.5 Å²	143.5	73%	0.727	74%	0.744	S	S	*	*				94.8	136.9	56.2	-83.6	-32.4	0	0	0	114.4
1349	S	30.7	Very low	27	Very low	129 Å²	129	142.8 Å²	142.8	90%	0.902	75%	0.746	S	S	*	*			trans	71.4	135.2	179.3	75.1	0	0	0	0	117.6
1350	G	27.9	Very low	27	Very low	68 Å²	68	144 Å²	144	70%	0.701	75%	0.746	S	S	*	*			cis	157.5	155.9	-17.8	0	0	0	0	0	116.2
1351	R	27.1	Very low	27	Very low	233 Å²	233	144.4 Å²	144.4	88%	0.879	74%	0.743	S	S	*	*			trans	73.3	122.6	170.7	-63	172.7	178	162.1	-1	114.4
1352	N	26.1	Very low	26.7	Very low	138 Å²	138	143.2 Å²	143.2	74%	0.738	73%	0.729	S	S	*	*				65.9	123.9	68.5	-56.3	5.7	0	0	0	110.4
1353	I	29.1	Very low	26.8	Very low	153 Å²	153	146.8 Å²	146.8	79%	0.785	74%	0.743	S	S	*	*				-162.4	116.9	80.6	-85.7	154.9	0	0	0	106
1354	L	25.5	Very low	26.7	Very low	132 Å²	132	146 Å²	146	69%	0.691	74%	0.741	S	S	*	*				78.2	132.6	82.1	-84.2	168.5	0	0	0	115.2
1355	Q	25.8	Very low	26.7	Very low	145 Å²	145	142.3 Å²	142.3	68%	0.678	75%	0.747	S	S	*	*			trans	70.9	149.6	153.3	-70.4	-178.3	19.2	0	0	117
1356	K	27.2	Very low	26.5	Very low	142 Å²	142	136.1 Å²	136.1	62%	0.617	73%	0.732	S	S	*	*			cis	-149.5	155.8	6.4	-121.9	162.1	177	151.8	0	110.5
1357	Q	25.4	Very low	26.4	Very low	163 Å²	163	139.6 Å²	139.6	76%	0.762	75%	0.75	S	S	*	*				42.7	136.4	106.1	-64.6	177.4	-37.6	0	0	115.4
1358	S	25.8	Very low	26.2	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	74%	0.742	S	S	*	*			cis	-162.5	176.5	7.5	35.2	0	0	0	0	113.7
1359	T	23.6	Very low	26.3	Very low	110 Å²	110	133.4 Å²	133.4	68%	0.675	74%	0.737	S	S	*	*			trans	-46	-174.6	172.3	45	0	0	0	0	118.4
1360	I	26	Very low	26.2	Very low	152 Å²	152	132.5 Å²	132.5	78%	0.779	73%	0.726	S	S	*	*			trans	89.6	130.5	172.5	-52.7	165.4	0	0	0	113.4
1361	E	24.1	Very low	26.3	Very low	150 Å²	150	136.2 Å²	136.2	70%	0.701	72%	0.723	S	S	*	*			cis	-166.2	-179.4	-32.7	-125.5	162.7	-172.8	0	0	109.4
1362	S	24.4	Very low	26.6	Very low	76 Å²	76	129.7 Å²	129.7	53%	0.531	71%	0.705	S	S	.	*			trans	-62.7	142.8	-176.7	49.2	0	0	0	0	116.1	N1703	S1362-N1703 PolarHBondContact OG-ND2 2.9Å
1363	Q	26.4	Very low	26.8	Very low	196 Å²	196	131.2 Å²	131.2	92%	0.916	70%	0.702	S	S	*	*			trans	-151.1	141.3	134.9	-119.4	176.7	25.2	0	0	112.6
1364	E	24.2	Very low	26.9	Very low	147 Å²	147	132.2 Å²	132.2	69%	0.687	70%	0.696	S	S	*	*			trans	-82.8	132	177.4	-59.3	171.4	104.4	0	0	111.2	Y1701	E1364-Y1701 VanDerWaalsContact OE2-CE1 3.27Å; E1364-Y1701 WeakPolarHBondContact OE2-CE1 3.45Å; E1364-Y1701 PolarHBondContact OE2-OH 2.85Å; E1364-Y1701 VanDerWaalsContact OE2-OH 3.08Å
1365	S	25.4	Very low	27.3	Very low	126 Å²	126	129.8 Å²	129.8	88%	0.881	68%	0.683	S	S	*	*			trans	-166.2	154.5	154.4	58.5	0	0	0	0	113.7
1366	G	25.6	Very low	27.7	Very low	54 Å²	54	126.8 Å²	126.8	56%	0.557	67%	0.672	S	S	*	*			trans	91.2	66.1	139.5	0	0	0	0	0	119.8	T1368	G1366-T1368 WeakPolarHBondContact O-CG2 3.35Å; G1366-T1368 PolarHBondContact O-N 3.11Å; G1366-T1368 VanDerWaalsContact O-N 3.1Å; G1366-T1368 PolarHBondContact O-OG1 3.06Å
1367	L	24.7	Very low	28	Very low	181 Å²	181	122 Å²	122	95%	0.948	66%	0.656	S	S	*	*			trans	-8.9	99.2	142.1	-75.2	148.1	0	0	0	116.3
1368	T	26.5	Very low	28.3	Very low	109 Å²	109	116.9 Å²	116.9	67%	0.669	63%	0.634	S	S	*	*			trans	-139.5	-24.9	177.5	41.7	0	0	0	0	116.5	G1366 T1370 K1371	G1366-T1368 WeakPolarHBondContact O-CG2 3.35Å; G1366-T1368 PolarHBondContact O-N 3.11Å; G1366-T1368 VanDerWaalsContact O-N 3.1Å; G1366-T1368 PolarHBondContact O-OG1 3.06Å; T1368-T1370 PolarHBondContact O-N 3.38Å; T1368-K1371 PolarHBondContact O-N 2.94Å
1369	S	31.4	Very low	28.6	Very low	90 Å²	90	119.3 Å²	119.3	63%	0.629	63%	0.626	S	S	*	*	H	α-helix	trans	-69.6	-24.5	-165.5	58.4	0	0	0	0	116.4	K1371 N1372	S1369-K1371 VanDerWaalsContact C-N 3.25Å; S1369-K1371 PolarHBondContact O-N 3.14Å; S1369-N1372 PolarHBondContact O-N 3.48Å; S1369-N1372 VanDerWaalsContact O-N 3.1Å
1370	T	29.1	Very low	28.9	Very low	109 Å²	109	122.1 Å²	122.1	67%	0.669	63%	0.625	S	S	*	*	H	α-helix	trans	-66.1	-22.9	-178.8	49.9	0	0	0	0	113.9	T1368	T1368-T1370 PolarHBondContact O-N 3.38Å
1371	K	29.4	Very low	29.1	Very low	147 Å²	147	123 Å²	123	64%	0.639	62%	0.623	S	S	*	*	H	α-helix	trans	-68.2	-38.3	171.6	-79.7	-176.2	175.1	177.7	0	112.2	T1368 S1369 W1374 I1375	T1368-K1371 PolarHBondContact O-N 2.94Å; S1369-K1371 VanDerWaalsContact C-N 3.25Å; S1369-K1371 PolarHBondContact O-N 3.14Å; K1371-W1374 PolarHBondContact O-N 3.27Å; K1371-I1375 WeakPolarHBondContact O-CG1 3.27Å; K1371-I1375 PolarHBondContact O-N 3.44Å; K1371-I1375 VanDerWaalsContact O-N 3.07Å
1372	N	32.2	Very low	29.4	Very low	95 Å²	95	120.3 Å²	120.3	51%	0.508	61%	0.613	S	S	.	*	H	α-helix	trans	-69.1	-39.3	-176.3	-67.3	-5.1	0	0	0	111.5	S1369 W1374 I1375 D1376	S1369-N1372 PolarHBondContact O-N 3.48Å; S1369-N1372 VanDerWaalsContact O-N 3.1Å; N1372-W1374 VanDerWaalsContact C-N 3.27Å; N1372-W1374 PolarHBondContact O-N 3.03Å; N1372-I1375 PolarHBondContact O-N 3.49Å; N1372-I1375 VanDerWaalsContact O-N 3.08Å; N1372-D1376 PolarHBondContact O-N 3.06Å
1373	Y	30.2	Very low	29.5	Very low	170 Å²	170	118.5 Å²	118.5	67%	0.667	61%	0.606	S	S	*	*	H	α-helix	trans	-57.2	-39.2	175.8	-170.5	-94.7	0	0	0	112.8	S1377	Y1373-S1377 WeakPolarHBondContact O-CB 3.03Å; Y1373-S1377 PolarHBondContact O-N 2.87Å; Y1373-S1377 PolarHBondContact O-OG 3.39Å
1374	W	32.9	Very low	29.7	Very low	174 Å²	174	115 Å²	115	66%	0.659	60%	0.603	S	S	*	*	H	α-helix	trans	-72.1	-39.9	173.7	-85.2	98.7	0	0	0	112.9	K1371 N1372 S1377 L1378	K1371-W1374 PolarHBondContact O-N 3.27Å; N1372-W1374 VanDerWaalsContact C-N 3.27Å; N1372-W1374 PolarHBondContact O-N 3.03Å; W1374-S1377 PolarHBondContact O-N 3.18Å; W1374-L1378 HydrophobicContact CE3-CD1 4.45Å; W1374-L1378 VanDerWaalsContact O-CB 3.27Å; W1374-L1378 WeakPolarHBondContact O-CB 3.15Å; W1374-L1378 WeakPolarHBondContact O-CD1 3.44Å; W1374-L1378 VanDerWaalsContact O-CG 3.25Å; W1374-L1378 WeakPolarHBondContact O-CG 3.35Å; W1374-L1378 PolarHBondContact O-N 2.95Å
1375	I	32.8	Very low	30.1	Very low	82 Å²	82	119.2 Å²	119.2	42%	0.421	61%	0.613	S	S	.	*	H	α-helix	trans	-61.2	-45.1	176.3	-70.8	165.2	0	0	0	110.8	K1371 N1372 L1378 R1379	K1371-I1375 WeakPolarHBondContact O-CG1 3.27Å; K1371-I1375 PolarHBondContact O-N 3.44Å; K1371-I1375 VanDerWaalsContact O-N 3.07Å; N1372-I1375 PolarHBondContact O-N 3.49Å; N1372-I1375 VanDerWaalsContact O-N 3.08Å; I1375-L1378 PolarHBondContact O-N 3.01Å; I1375-R1379 WeakPolarHBondContact O-CB 3.05Å; I1375-R1379 VanDerWaalsContact O-CG 3.32Å; I1375-R1379 WeakPolarHBondContact O-CG 3.14Å; I1375-R1379 PolarHBondContact O-N 3.34Å
1376	D	35.2	Very low	30.3	Very low	81 Å²	81	118.1 Å²	118.1	43%	0.433	60%	0.596	S	S	.	*	H	α-helix	trans	-75.2	-35.4	179.7	-69.7	-42.3	0	0	0	112.6	N1372 L1378 R1379 W1380	N1372-D1376 PolarHBondContact O-N 3.06Å; D1376-L1378 VanDerWaalsContact C-N 3.29Å; D1376-L1378 PolarHBondContact O-N 2.74Å; D1376-R1379 PolarHBondContact O-N 2.99Å; D1376-R1379 WeakPolarHBondContact OD1-CD 3.31Å; D1376-R1379 IonicContact OD1-CZ 2.75Å; D1376-R1379 IonicContact OD1-NE 2.79Å; D1376-R1379 IonicContact OD1-NH1 3.87Å; D1376-R1379 PolarHBondContact OD1-NH1 2.72Å; D1376-W1380 WeakPolarHBondContact O-CB 3.27Å; D1376-W1380 PolarHBondContact O-N 3.3Å
1377	S	32.8	Very low	30.5	Very low	43 Å²	43	121 Å²	121	30%	0.301	60%	0.603	S	S	.	*	H	α-helix	trans	-60.8	-37.4	169.2	-64.1	0	0	0	0	112.3	Y1373 W1374 W1380 F1381	Y1373-S1377 WeakPolarHBondContact O-CB 3.03Å; Y1373-S1377 PolarHBondContact O-N 2.87Å; Y1373-S1377 PolarHBondContact O-OG 3.39Å; W1374-S1377 PolarHBondContact O-N 3.18Å; S1377-W1380 WeakPolarHBondContact O-CB 3.36Å; S1377-W1380 PolarHBondContact O-N 3.17Å; S1377-F1381 PolarHBondContact O-N 3.46Å; S1377-F1381 VanDerWaalsContact O-N 3.16Å
1378	L	31	Very low	31	Very low	55 Å²	55	120.5 Å²	120.5	29%	0.288	60%	0.601	S	S	.	*	H	α-helix	trans	-78.3	-34.4	177.2	-73.5	166.4	0	0	0	112.8	W1374 I1375 D1376 W1380 F1381 I1382 L1394	W1374-L1378 HydrophobicContact CE3-CD1 4.45Å; W1374-L1378 VanDerWaalsContact O-CB 3.27Å; W1374-L1378 WeakPolarHBondContact O-CB 3.15Å; W1374-L1378 WeakPolarHBondContact O-CD1 3.44Å; W1374-L1378 VanDerWaalsContact O-CG 3.25Å; W1374-L1378 WeakPolarHBondContact O-CG 3.35Å; W1374-L1378 PolarHBondContact O-N 2.95Å; I1375-L1378 PolarHBondContact O-N 3.01Å; D1376-L1378 VanDerWaalsContact C-N 3.29Å; D1376-L1378 PolarHBondContact O-N 2.74Å; L1378-W1380 PolarHBondContact O-N 2.94Å; L1378-F1381 PolarHBondContact O-N 2.9Å; L1378-I1382 HydrophobicContact CB-CD1 4.48Å; L1378-I1382 HydrophobicContact CD2-CD1 4.31Å; L1378-I1382 WeakPolarHBondContact O-CB 3.35Å; L1378-I1382 WeakPolarHBondContact O-CG1 3.36Å; L1378-I1382 PolarHBondContact O-N 2.76Å; L1378-L1394 HydrophobicContact CD1-CD2 3.9Å
1379	R	31.8	Very low	31.5	Very low	158 Å²	158	118.9 Å²	118.9	60%	0.596	59%	0.587	S	S	*	*	H	α-helix	trans	-56.6	-39.1	165.9	-77.6	162.7	161.8	178	-4.7	111	I1375 D1376 F1381 G1383	I1375-R1379 WeakPolarHBondContact O-CB 3.05Å; I1375-R1379 VanDerWaalsContact O-CG 3.32Å; I1375-R1379 WeakPolarHBondContact O-CG 3.14Å; I1375-R1379 PolarHBondContact O-N 3.34Å; D1376-R1379 PolarHBondContact O-N 2.99Å; D1376-R1379 WeakPolarHBondContact OD1-CD 3.31Å; D1376-R1379 IonicContact OD1-CZ 2.75Å; D1376-R1379 IonicContact OD1-NE 2.79Å; D1376-R1379 IonicContact OD1-NH1 3.87Å; D1376-R1379 PolarHBondContact OD1-NH1 2.72Å; R1379-F1381 VanDerWaalsContact C-N 3.32Å; R1379-F1381 PolarHBondContact O-N 3.44Å; R1379-G1383 WeakPolarHBondContact O-CA 3.39Å; R1379-G1383 PolarHBondContact O-N 2.92Å
1380	W	31.5	Very low	31.8	Very low	170 Å²	170	117.1 Å²	117.1	64%	0.644	57%	0.574	S	S	*	*	H	α-helix	trans	-68.3	-27.4	174.7	-139.4	79	0	0	0	113.6	D1376 S1377 L1378 R1902	D1376-W1380 WeakPolarHBondContact O-CB 3.27Å; D1376-W1380 PolarHBondContact O-N 3.3Å; S1377-W1380 WeakPolarHBondContact O-CB 3.36Å; S1377-W1380 PolarHBondContact O-N 3.17Å; L1378-W1380 PolarHBondContact O-N 2.94Å; W1380-R1902 VanDerWaalsContact CH2-CZ 3.47Å; W1380-R1902 VanDerWaalsContact CZ2-NH2 3.26Å
1381	F	29.1	Very low	32	Very low	169 Å²	169	115.2 Å²	115.2	74%	0.741	57%	0.566	S	S	*	*	H	α-helix	trans	-92.7	-26.9	-178	-118.9	-82.6	0	0	0	114.6	S1377 L1378 R1379	S1377-F1381 PolarHBondContact O-N 3.46Å; S1377-F1381 VanDerWaalsContact O-N 3.16Å; L1378-F1381 PolarHBondContact O-N 2.9Å; R1379-F1381 VanDerWaalsContact C-N 3.32Å; R1379-F1381 PolarHBondContact O-N 3.44Å
1382	I	30.2	Very low	32.5	Very low	95 Å²	95	113.8 Å²	113.8	49%	0.487	57%	0.565	S	S	.	*	H	α-helix	trans	-111.5	-22.5	-172.4	-60	175.1	0	0	0	111.8	L1378 I1386	L1378-I1382 HydrophobicContact CB-CD1 4.48Å; L1378-I1382 HydrophobicContact CD2-CD1 4.31Å; L1378-I1382 WeakPolarHBondContact O-CB 3.35Å; L1378-I1382 WeakPolarHBondContact O-CG1 3.36Å; L1378-I1382 PolarHBondContact O-N 2.76Å; I1382-I1386 HydrophobicContact CG2-CD1 3.89Å; I1382-I1386 HydrophobicContact CG2-CG1 4.37Å
1383	G	27.7	Very low	33.1	Very low	38 Å²	38	113 Å²	113	39%	0.392	56%	0.561	S	S	.	*			trans	83.4	170.7	179.6	0	0	0	0	0	114	R1379 R1385	R1379-G1383 WeakPolarHBondContact O-CA 3.39Å; R1379-G1383 PolarHBondContact O-N 2.92Å; G1383-R1385 PolarHBondContact O-N 3.29Å
1384	S	30.5	Very low	33.5	Very low	121 Å²	121	107.2 Å²	107.2	85%	0.846	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	20.2	-165.3	53.7	0	0	0	0	116.5
1385	R	31.7	Very low	33.8	Very low	236 Å²	236	104.4 Å²	104.4	89%	0.891	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	6.6	-172.1	-68.8	-167.9	179.4	-175.2	2.9	115.9	G1383	G1383-R1385 PolarHBondContact O-N 3.29Å
1386	I	30.9	Very low	34.3	Very low	103 Å²	103	106.6 Å²	106.6	53%	0.528	54%	0.542	S	S	.	.			trans	-126.2	85.5	172	-50.8	-175.2	0	0	0	109.5	I1382 M1389	I1382-I1386 HydrophobicContact CG2-CD1 3.89Å; I1382-I1386 HydrophobicContact CG2-CG1 4.37Å; I1386-M1389 HydrophobicContact CG2-CB 4.05Å; I1386-M1389 HydrophobicContact CG2-SD 4.27Å
1387	T	28.8	Very low	34.6	Very low	116 Å²	116	105.1 Å²	105.1	71%	0.712	53%	0.534	S	S	*	.			trans	-97.3	140.3	164.2	47.7	0	0	0	0	108.7
1388	N	34.9	Very low	34.8	Very low	169 Å²	169	107.7 Å²	107.7	90%	0.904	54%	0.544	S	S	*	.	S	Bend	trans	71.3	67.7	-177.7	-52.3	-7.3	0	0	0	115
1389	M	37.4	Very low	35.2	Very low	76 Å²	76	108.9 Å²	108.9	37%	0.374	56%	0.556	S	S	.	*			trans	-140	128.1	164.6	-161.8	171.1	81.7	0	0	108.2	I1386 D1393 L1394 L1397	I1386-M1389 HydrophobicContact CG2-CB 4.05Å; I1386-M1389 HydrophobicContact CG2-SD 4.27Å; M1389-D1393 HydrophobicContact CG-CB 3.72Å; M1389-L1394 HydrophobicContact CE-CB 4.07Å; M1389-L1394 HydrophobicContact CE-CD1 3.55Å; M1389-L1394 HydrophobicContact CE-CG 4.43Å; M1389-L1397 HydrophobicContact CE-CD1 3.72Å; M1389-L1397 HydrophobicContact SD-CD1 3.39Å; M1389-L1397 WeakPolarHBondContact SD-CD1 3.37Å
1390	S	37	Very low	35.4	Very low	52 Å²	52	107.7 Å²	107.7	36%	0.364	55%	0.552	S	S	.	*			trans	-75.7	164.8	-172.7	79.2	0	0	0	0	112.4	N1392 D1393 L1394	S1390-N1392 PolarHBondContact O-N 3.38Å; S1390-N1392 PolarHBondContact OG-N 2.97Å; S1390-D1393 WeakPolarHBondContact CB-OD2 3.17Å; S1390-D1393 PolarHBondContact N-OD2 3.41Å; S1390-D1393 PolarHBondContact O-N 3.38Å; S1390-D1393 PolarHBondContact OG-N 2.8Å; S1390-D1393 VanDerWaalsContact OG-N 3.1Å; S1390-D1393 PolarHBondContact OG-OD2 3.22Å; S1390-L1394 WeakPolarHBondContact O-CB 3.34Å; S1390-L1394 PolarHBondContact O-N 2.92Å
1391	S	33.8	Very low	35.5	Very low	69 Å²	69	108 Å²	108	48%	0.483	56%	0.557	S	S	.	*	H	α-helix	trans	-57.2	-33	171.2	52.9	0	0	0	0	112.3	I1395	S1391-I1395 WeakPolarHBondContact O-CD1 3.43Å; S1391-I1395 VanDerWaalsContact O-CG1 3.23Å; S1391-I1395 WeakPolarHBondContact O-CG1 3.49Å; S1391-I1395 PolarHBondContact O-N 3.44Å
1392	N	39.9	Very low	35.8	Very low	118 Å²	118	107.6 Å²	107.6	63%	0.631	56%	0.558	S	S	*	*	H	α-helix	trans	-75.4	-39.9	-178.8	-62.4	2.8	0	0	0	110.6	S1390 L1394 I1395 Y1396	S1390-N1392 PolarHBondContact O-N 3.38Å; S1390-N1392 PolarHBondContact OG-N 2.97Å; N1392-L1394 VanDerWaalsContact C-N 3.34Å; N1392-L1394 PolarHBondContact O-N 3.18Å; N1392-I1395 PolarHBondContact O-N 2.92Å; N1392-Y1396 VanDerWaalsContact O-CB 3.25Å; N1392-Y1396 WeakPolarHBondContact O-CB 3.4Å; N1392-Y1396 PolarHBondContact O-N 3.28Å
1393	D	44.4	Very low	35.8	Very low	78 Å²	78	107.8 Å²	107.8	42%	0.417	56%	0.558	S	S	.	*	H	α-helix	trans	-64.7	-38.5	174.2	-56.9	-51.9	0	0	0	111.7	M1389 S1390 Y1396 L1397	M1389-D1393 HydrophobicContact CG-CB 3.72Å; S1390-D1393 WeakPolarHBondContact CB-OD2 3.17Å; S1390-D1393 PolarHBondContact N-OD2 3.41Å; S1390-D1393 PolarHBondContact O-N 3.38Å; S1390-D1393 PolarHBondContact OG-N 2.8Å; S1390-D1393 VanDerWaalsContact OG-N 3.1Å; S1390-D1393 PolarHBondContact OG-OD2 3.22Å; D1393-Y1396 PolarHBondContact O-N 3.46Å; D1393-L1397 WeakPolarHBondContact O-CB 3.28Å; D1393-L1397 WeakPolarHBondContact O-CG 3.39Å; D1393-L1397 PolarHBondContact O-N 2.92Å
1394	L	39.3	Very low	36.1	Very low	48 Å²	48	109.6 Å²	109.6	25%	0.251	56%	0.562	S	S	.	*	H	α-helix	trans	-64.7	-46.7	175.4	-175.4	70.9	0	0	0	111.6	L1378 M1389 S1390 N1392 Y1396 L1397 L1398	L1378-L1394 HydrophobicContact CD1-CD2 3.9Å; M1389-L1394 HydrophobicContact CE-CB 4.07Å; M1389-L1394 HydrophobicContact CE-CD1 3.55Å; M1389-L1394 HydrophobicContact CE-CG 4.43Å; S1390-L1394 WeakPolarHBondContact O-CB 3.34Å; S1390-L1394 PolarHBondContact O-N 2.92Å; N1392-L1394 VanDerWaalsContact C-N 3.34Å; N1392-L1394 PolarHBondContact O-N 3.18Å; L1394-Y1396 VanDerWaalsContact C-N 3.32Å; L1394-Y1396 PolarHBondContact O-N 3.13Å; L1394-L1397 PolarHBondContact O-N 3.41Å; L1394-L1398 HydrophobicContact CD1-CD1 4.42Å; L1394-L1398 HydrophobicContact CG-CD1 4.09Å; L1394-L1398 WeakPolarHBondContact O-CB 3.16Å; L1394-L1398 VanDerWaalsContact O-CG 3.28Å; L1394-L1398 WeakPolarHBondContact O-CG 3.49Å; L1394-L1398 PolarHBondContact O-N 2.94Å
1395	I	38.2	Very low	36.3	Very low	115 Å²	115	110.9 Å²	110.9	59%	0.59	55%	0.552	S	S	*	*	H	α-helix	trans	-60.4	-44	174.3	-70.8	164.7	0	0	0	110.2	S1391 N1392 L1398 S1399	S1391-I1395 WeakPolarHBondContact O-CD1 3.43Å; S1391-I1395 VanDerWaalsContact O-CG1 3.23Å; S1391-I1395 WeakPolarHBondContact O-CG1 3.49Å; S1391-I1395 PolarHBondContact O-N 3.44Å; N1392-I1395 PolarHBondContact O-N 2.92Å; I1395-L1398 PolarHBondContact O-N 3.22Å; I1395-S1399 WeakPolarHBondContact O-CB 3.44Å; I1395-S1399 PolarHBondContact O-N 3.07Å
1396	Y	43.6	Very low	36.2	Very low	129 Å²	129	103 Å²	103	51%	0.506	53%	0.533	S	S	.	.	H	α-helix	trans	-62.1	-43.6	177.2	-178.1	-101.2	0	0	0	112.4	N1392 D1393 L1394 S1399 R1400	N1392-Y1396 VanDerWaalsContact O-CB 3.25Å; N1392-Y1396 WeakPolarHBondContact O-CB 3.4Å; N1392-Y1396 PolarHBondContact O-N 3.28Å; D1393-Y1396 PolarHBondContact O-N 3.46Å; L1394-Y1396 VanDerWaalsContact C-N 3.32Å; L1394-Y1396 PolarHBondContact O-N 3.13Å; Y1396-S1399 PolarHBondContact O-N 3.12Å; Y1396-S1399 PolarHBondContact O-OG 2.85Å; Y1396-R1400 PolarHBondContact O-N 3Å; Y1396-R1400 PolarHBondContact OH-NH2 2.92Å
1397	L	41.7	Very low	36.2	Very low	50 Å²	50	103.8 Å²	103.8	26%	0.262	54%	0.538	S	S	.	.	H	α-helix	trans	-66.4	-41.3	175.9	-79.5	163.2	0	0	0	112.7	M1389 D1393 L1394 S1399 R1400 M1403	M1389-L1397 HydrophobicContact CE-CD1 3.72Å; M1389-L1397 HydrophobicContact SD-CD1 3.39Å; M1389-L1397 WeakPolarHBondContact SD-CD1 3.37Å; D1393-L1397 WeakPolarHBondContact O-CB 3.28Å; D1393-L1397 WeakPolarHBondContact O-CG 3.39Å; D1393-L1397 PolarHBondContact O-N 2.92Å; L1394-L1397 PolarHBondContact O-N 3.41Å; L1397-S1399 VanDerWaalsContact C-N 3.3Å; L1397-S1399 PolarHBondContact O-N 3.13Å; L1397-R1400 PolarHBondContact O-N 2.8Å; L1397-M1403 HydrophobicContact CB-SD 4.15Å; L1397-M1403 HydrophobicContact CD2-SD 4.36Å
1398	L	37.8	Very low	36.2	Very low	97 Å²	97	102.2 Å²	102.2	51%	0.508	54%	0.536	S	S	.	.	H	α-helix	trans	-66.7	-31.1	175.4	-69.7	170.3	0	0	0	112.4	L1394 I1395 R1400	L1394-L1398 HydrophobicContact CD1-CD1 4.42Å; L1394-L1398 HydrophobicContact CG-CD1 4.09Å; L1394-L1398 WeakPolarHBondContact O-CB 3.16Å; L1394-L1398 VanDerWaalsContact O-CG 3.28Å; L1394-L1398 WeakPolarHBondContact O-CG 3.49Å; L1394-L1398 PolarHBondContact O-N 2.94Å; I1395-L1398 PolarHBondContact O-N 3.22Å; L1398-R1400 VanDerWaalsContact C-N 3.27Å; L1398-R1400 PolarHBondContact O-N 2.87Å
1399	S	38.7	Very low	36	Very low	79 Å²	79	104.8 Å²	104.8	55%	0.552	53%	0.533	S	S	*	.	H	α-helix	trans	-66.1	-24.9	174.6	84.1	0	0	0	0	113.5	I1395 Y1396 L1397 K1401	I1395-S1399 WeakPolarHBondContact O-CB 3.44Å; I1395-S1399 PolarHBondContact O-N 3.07Å; Y1396-S1399 PolarHBondContact O-N 3.12Å; Y1396-S1399 PolarHBondContact O-OG 2.85Å; L1397-S1399 VanDerWaalsContact C-N 3.3Å; L1397-S1399 PolarHBondContact O-N 3.13Å; S1399-K1401 PolarHBondContact O-N 3.33Å
1400	R	35.7	Very low	35.6	Very low	133 Å²	133	109.7 Å²	109.7	50%	0.502	55%	0.549	S	S	.	.	S	Bend	trans	-71.6	105.5	-178.2	-74.5	-177	170.5	-158.9	-2.5	110.9	Y1396 L1397 L1398 Q1402 M1403 T1404	Y1396-R1400 PolarHBondContact O-N 3Å; Y1396-R1400 PolarHBondContact OH-NH2 2.92Å; L1397-R1400 PolarHBondContact O-N 2.8Å; L1398-R1400 VanDerWaalsContact C-N 3.27Å; L1398-R1400 PolarHBondContact O-N 2.87Å; R1400-Q1402 PolarHBondContact O-N 2.95Å; R1400-M1403 PolarHBondContact O-N 2.9Å; R1400-T1404 PolarHBondContact O-OG1 2.97Å
1401	K	34.4	Very low	35.2	Very low	176 Å²	176	112.4 Å²	112.4	77%	0.765	56%	0.56	S	S	*	*	H	α-helix	trans	-38.8	-17.5	175.5	-102.3	174.3	179.8	166.1	0	117.9	S1399 T1404 K1405	S1399-K1401 PolarHBondContact O-N 3.33Å; K1401-T1404 WeakPolarHBondContact CA-OG1 3.37Å; K1401-K1405 WeakPolarHBondContact O-CG 3.35Å
1402	Q	35.3	Very low	34.9	Very low	162 Å²	162	119.6 Å²	119.6	76%	0.757	58%	0.582	S	S	*	*	H	α-helix	trans	-82.4	-44	173.5	-72.4	179.8	-16.7	0	0	112.3	R1400 T1404 K1405 S1406	R1400-Q1402 PolarHBondContact O-N 2.95Å; Q1402-T1404 PolarHBondContact O-N 2.99Å; Q1402-K1405 PolarHBondContact O-N 3.17Å; Q1402-K1405 VanDerWaalsContact O-N 3.16Å; Q1402-S1406 PolarHBondContact O-N 3.45Å; Q1402-S1406 PolarHBondContact O-OG 3.02Å
1403	M	31.2	Very low	34.4	Very low	99 Å²	99	122.2 Å²	122.2	49%	0.488	59%	0.591	S	S	.	*	H	α-helix	trans	-64.7	-41.2	179.1	-111.8	-174.5	176.7	0	0	111.7	L1397 R1400 K1405 S1406 L1407	L1397-M1403 HydrophobicContact CB-SD 4.15Å; L1397-M1403 HydrophobicContact CD2-SD 4.36Å; R1400-M1403 PolarHBondContact O-N 2.9Å; M1403-K1405 VanDerWaalsContact C-N 3.28Å; M1403-K1405 PolarHBondContact O-N 3.14Å; M1403-S1406 WeakPolarHBondContact O-CB 3.41Å; M1403-S1406 PolarHBondContact O-N 3.43Å; M1403-L1407 PolarHBondContact O-N 3Å
1404	T	33.8	Very low	33.5	Very low	76 Å²	76	129.4 Å²	129.4	47%	0.466	61%	0.612	S	S	.	*	H	α-helix	trans	-59.3	-36.6	173.3	9	0	0	0	0	112.3	R1400 K1401 Q1402 A1408	R1400-T1404 PolarHBondContact O-OG1 2.97Å; K1401-T1404 WeakPolarHBondContact CA-OG1 3.37Å; Q1402-T1404 PolarHBondContact O-N 2.99Å; T1404-A1408 VanDerWaalsContact O-CB 3.27Å; T1404-A1408 WeakPolarHBondContact O-CB 3.48Å; T1404-A1408 PolarHBondContact O-N 3.4Å; T1404-A1408 VanDerWaalsContact O-N 3.07Å
1405	K	32.9	Very low	32.8	Very low	148 Å²	148	133 Å²	133	64%	0.643	63%	0.631	S	S	*	*	H	α-helix	trans	-73	-27	173.4	-78.1	179.7	177.2	-179.5	0	113.6	K1401 Q1402 M1403 R1409	K1401-K1405 WeakPolarHBondContact O-CG 3.35Å; Q1402-K1405 PolarHBondContact O-N 3.17Å; Q1402-K1405 VanDerWaalsContact O-N 3.16Å; M1403-K1405 VanDerWaalsContact C-N 3.28Å; M1403-K1405 PolarHBondContact O-N 3.14Å; K1405-R1409 WeakPolarHBondContact O-CG 3.44Å; K1405-R1409 PolarHBondContact O-N 3.34Å
1406	S	30.5	Very low	32.2	Very low	71 Å²	71	132.5 Å²	132.5	50%	0.497	63%	0.633	S	S	.	*	H	α-helix	trans	-72.9	-47.1	173.4	-62.7	0	0	0	0	111.5	Q1402 M1403 A1408 R1409	Q1402-S1406 PolarHBondContact O-N 3.45Å; Q1402-S1406 PolarHBondContact O-OG 3.02Å; M1403-S1406 WeakPolarHBondContact O-CB 3.41Å; M1403-S1406 PolarHBondContact O-N 3.43Å; S1406-A1408 PolarHBondContact O-N 3.24Å; S1406-R1409 PolarHBondContact O-N 3.16Å; S1406-R1409 VanDerWaalsContact O-N 3.14Å
1407	L	30.7	Very low	31.2	Very low	119 Å²	119	131 Å²	131	62%	0.623	64%	0.64	S	S	*	*	H	α-helix	trans	-58.1	-47.7	173.9	-112.8	67.7	0	0	0	111.4	M1403 R1409 Y1410	M1403-L1407 PolarHBondContact O-N 3Å; L1407-R1409 PolarHBondContact O-N 3.48Å; L1407-Y1410 PolarHBondContact O-N 3.06Å; L1407-Y1410 VanDerWaalsContact O-N 3.11Å
1408	A	30	Very low	30.3	Very low	82 Å²	82	134 Å²	134	68%	0.678	66%	0.66	S	S	*	*	H	α-helix	trans	-65.6	-8.3	178.8	0	0	0	0	0	114.8	T1404 S1406	T1404-A1408 VanDerWaalsContact O-CB 3.27Å; T1404-A1408 WeakPolarHBondContact O-CB 3.48Å; T1404-A1408 PolarHBondContact O-N 3.4Å; T1404-A1408 VanDerWaalsContact O-N 3.07Å; S1406-A1408 PolarHBondContact O-N 3.24Å
1409	R	29.8	Very low	29.6	Very low	223 Å²	223	138.5 Å²	138.5	84%	0.842	68%	0.676	S	S	*	*	H	α-helix	trans	-97.3	-14.3	174.6	-83.2	177.8	168	-174	-3.6	114.1	K1405 S1406 L1407	K1405-R1409 WeakPolarHBondContact O-CG 3.44Å; K1405-R1409 PolarHBondContact O-N 3.34Å; S1406-R1409 PolarHBondContact O-N 3.16Å; S1406-R1409 VanDerWaalsContact O-N 3.14Å; L1407-R1409 PolarHBondContact O-N 3.48Å
1410	Y	29	Very low	28.9	Very low	179 Å²	179	142.5 Å²	142.5	70%	0.702	69%	0.69	S	S	*	*	H	α-helix	trans	-88.3	-25.5	-171.6	-119.5	-84.6	0	0	0	114.4	L1407	L1407-Y1410 PolarHBondContact O-N 3.06Å; L1407-Y1410 VanDerWaalsContact O-N 3.11Å
1411	N	28.4	Very low	28.5	Very low	110 Å²	110	140.9 Å²	140.9	59%	0.588	70%	0.7	S	S	*	*			trans	-110.2	141.9	-176.6	-75	-19.2	0	0	0	113.3	E1413	N1411-E1413 WeakPolarHBondContact CB-O 3.39Å
1412	K	27.9	Very low	28	Very low	220 Å²	220	140.7 Å²	140.7	96%	0.957	71%	0.707	S	S	*	*	S	Bend	trans	-96.4	3.2	168.4	-126.4	178.5	-175.4	179.2	0	113.7
1413	E	30.1	Very low	27.5	Very low	173 Å²	173	141.2 Å²	141.2	81%	0.808	71%	0.709	S	S	*	*	S	Bend	trans	-116.8	136.2	170.8	-63.5	-176.8	167.4	0	0	107.7	N1411 L1415	N1411-E1413 WeakPolarHBondContact CB-O 3.39Å; E1413-L1415 PolarHBondContact O-N 3.41Å
1414	R	24.6	Very low	27.4	Very low	229 Å²	229	146 Å²	146	86%	0.864	73%	0.731	S	S	*	*			trans	-81.6	120.7	-169	-78.3	176.3	163.9	175.5	-8.1	111
1415	L	24.5	Very low	27	Very low	123 Å²	123	152 Å²	152	64%	0.644	75%	0.751	S	S	*	*			trans	-88.1	110.4	167.1	-155.2	166.9	0	0	0	107.8	E1413	E1413-L1415 PolarHBondContact O-N 3.41Å
1416	T	24.9	Very low	26.7	Very low	105 Å²	105	149.8 Å²	149.8	64%	0.644	75%	0.754	S	S	*	*			trans	-106.1	104.7	-177.7	-52.1	0	0	0	0	109.2	V1418	T1416-V1418 HydrophobicContact CG2-CG2 4.16Å
1417	C	22.8	Very low	26.4	Very low	97 Å²	97	156.9 Å²	156.9	66%	0.655	77%	0.77	S	S	*	*			trans	-80.5	117.9	169.4	-58.5	0	0	0	0	109.1	F1419	C1417-F1419 HydrophobicContact CB-CE2 4.26Å
1418	V	23.8	Very low	26.1	Very low	113 Å²	113	158.5 Å²	158.5	69%	0.685	78%	0.779	S	S	*	*			trans	-104.5	128	168.5	-178.5	0	0	0	0	107.2	T1416 L1420	T1416-V1418 HydrophobicContact CG2-CG2 4.16Å; V1418-L1420 HydrophobicContact CG1-CG 4.24Å
1419	F	22.4	Very low	25.8	Very low	191 Å²	191	160.2 Å²	160.2	84%	0.838	78%	0.781	S	S	*	*			trans	-102	131.9	171.4	-67.8	-96.5	0	0	0	108	C1417	C1417-F1419 HydrophobicContact CB-CE2 4.26Å
1420	L	25.4	Very low	25.7	Very low	163 Å²	163	158.5 Å²	158.5	85%	0.853	78%	0.782	S	S	*	*			trans	-130.7	150.2	169.2	-69.5	172.8	0	0	0	108.1	V1418	V1418-L1420 HydrophobicContact CG1-CG 4.24Å
1421	S	25.3	Very low	25.4	Very low	100 Å²	100	157.2 Å²	157.2	70%	0.699	78%	0.782	S	S	*	*			trans	-84	161.4	-157.8	44.6	0	0	0	0	115.6	Q1423	S1421-Q1423 PolarHBondContact O-N 3.04Å
1422	D	24.7	Very low	25.3	Very low	172 Å²	172	160 Å²	160	92%	0.92	80%	0.796	S	S	*	*	S	Bend	trans	-70.4	36.6	-167.8	-51.6	-85.1	0	0	0	117.1
1423	Q	26	Very low	25.2	Very low	172 Å²	172	157.5 Å²	157.5	80%	0.804	79%	0.786	S	S	*	*			trans	-126.3	143	-178.3	-67.4	-172.4	-13.2	0	0	113.3	S1421	S1421-Q1423 PolarHBondContact O-N 3.04Å
1424	E	29	Very low	24.9	Very low	200 Å²	200	158.3 Å²	158.3	94%	0.935	78%	0.781	S	S	*	*			trans	71.9	124.3	-179.1	-51.3	-161.4	151.7	0	0	117.1
1425	K	25.3	Very low	25	Very low	203 Å²	203	152.6 Å²	152.6	88%	0.883	78%	0.776	S	S	*	*			trans	-117.6	126.3	-178.6	-63.9	174	-179.4	172.5	0	110
1426	S	24.8	Very low	25	Very low	101 Å²	101	154 Å²	154	71%	0.706	79%	0.79	S	S	*	*			trans	178.4	-137.6	153.1	50.2	0	0	0	0	107.7
1427	W	25.7	Very low	24.9	Very low	220 Å²	220	152.5 Å²	152.5	83%	0.833	80%	0.795	S	S	*	*			trans	71	87.7	174.7	-54.8	91.6	0	0	0	116.6
1428	D	24	Very low	25	Very low	152 Å²	152	154.3 Å²	154.3	81%	0.813	81%	0.807	S	S	*	*			trans	-48	166.3	136.2	-66.8	-75.4	0	0	0	111.9
1429	V	23.6	Very low	24.9	Very low	119 Å²	119	157.8 Å²	157.8	72%	0.721	82%	0.816	S	S	*	*			trans	77.8	95.9	-174.2	-169.8	0	0	0	0	114.1
1430	H	27.2	Very low	25.1	Very low	186 Å²	186	155.8 Å²	155.8	86%	0.861	81%	0.813	S	S	*	*			trans	-127.9	106.4	159.4	-103	-70.7	0	0	0	112.4
1431	Q	23.8	Very low	25	Very low	152 Å²	152	155.1 Å²	155.1	71%	0.71	81%	0.809	S	S	*	*			trans	-77.3	149.8	166.9	-60.4	174.3	-0.3	0	0	109.9
1432	L	26.2	Very low	25	Very low	168 Å²	168	155.3 Å²	155.3	88%	0.88	81%	0.808	S	S	*	*			trans	-137.3	112.8	174	-142.9	163.4	0	0	0	110.9
1433	F	24.6	Very low	25.1	Very low	169 Å²	169	158.1 Å²	158.1	74%	0.741	81%	0.807	S	S	*	*			trans	-75.6	143.3	-174.5	-80	-105.9	0	0	0	112.9
1434	R	25.1	Very low	25	Very low	190 Å²	190	153.3 Å²	153.3	72%	0.717	80%	0.803	S	S	*	*			trans	-123.9	141.3	148.1	-81.4	-160.8	-171.2	157.2	13.4	109.9	E1901	R1434-E1901 IonicContact CZ-OE1 2.77Å; R1434-E1901 IonicContact CZ-OE2 2.7Å; R1434-E1901 IonicContact NH1-OE1 3.93Å; R1434-E1901 PolarHBondContact NH1-OE1 3.11Å; R1434-E1901 IonicContact NH1-OE2 3Å; R1434-E1901 PolarHBondContact NH1-OE2 2.94Å; R1434-E1901 IonicContact NH2-OE2 2.73Å; R1434-E1901 PolarHBondContact NH2-OE2 2.94Å
1435	S	25.6	Very low	24.8	Very low	109 Å²	109	151.9 Å²	151.9	76%	0.762	80%	0.801	S	S	*	*			trans	-123.4	151.3	-166.9	56.4	0	0	0	0	112.9
1436	V	24.5	Very low	24.7	Very low	152 Å²	152	149.6 Å²	149.6	92%	0.921	80%	0.799	S	S	*	*			trans	-132.5	98.6	162.1	-178.5	0	0	0	0	108.7
1437	G	22.5	Very low	24.7	Very low	74 Å²	74	152.6 Å²	152.6	76%	0.763	81%	0.805	S	S	*	*	S	Bend	trans	73.2	61.6	153.7	0	0	0	0	0	119.2
1438	C	25.3	Very low	24.6	Very low	134 Å²	134	147 Å²	147	91%	0.905	80%	0.799	S	S	*	*			trans	-129.9	151.6	153.5	-82.6	0	0	0	0	111.1
1439	Q	22.3	Very low	24.6	Very low	187 Å²	187	146.1 Å²	146.1	87%	0.874	80%	0.799	S	S	*	*			trans	-122.3	116.4	-175.1	-177.6	179.1	3	0	0	109.2
1440	L	25.3	Very low	24.7	Very low	148 Å²	148	146.6 Å²	146.6	78%	0.775	80%	0.803	S	S	*	*			trans	-114.9	150.1	177.3	-82.3	168.1	0	0	0	111.7
1441	I	24.8	Very low	24.6	Very low	150 Å²	150	143.8 Å²	143.8	77%	0.769	80%	0.799	S	S	*	*			trans	-102.9	128.9	-179	-60.8	172.1	0	0	0	107.3
1442	P	24.7	Very low	24.8	Very low	103 Å²	103	145 Å²	145	67%	0.669	80%	0.804	S	S	*	*			trans	-81.3	134.7	-178.5	32.2	-33.7	0	0	0	111.6
1443	Y	26.6	Very low	24.8	Very low	232 Å²	232	144.5 Å²	144.5	91%	0.91	80%	0.802	S	S	*	*			trans	-136.8	131.6	146.2	-106.1	-86.1	0	0	0	107.1
1444	G	23	Very low	25	Very low	70 Å²	70	144.1 Å²	144.1	72%	0.722	81%	0.807	S	S	*	*			trans	-114.5	142	174.9	0	0	0	0	0	109.7
1445	L	26.1	Very low	25.1	Very low	170 Å²	170	143.2 Å²	143.2	89%	0.89	81%	0.811	S	S	*	*			trans	-140.6	124.9	162.7	-87.4	170.8	0	0	0	106.5
1446	D	23.3	Very low	25.3	Very low	156 Å²	156	145.6 Å²	145.6	83%	0.834	81%	0.808	S	S	*	*			trans	-65.8	145.6	161.3	-61.3	-69.9	0	0	0	109.4
1447	I	25.2	Very low	25.5	Very low	164 Å²	164	144.9 Å²	144.9	84%	0.841	81%	0.806	S	S	*	*			trans	-156.9	131.8	138.6	-96.5	140.8	0	0	0	106.5
1448	S	23	Very low	26	Very low	101 Å²	101	145.8 Å²	145.8	71%	0.706	80%	0.796	S	S	*	*			trans	-85.2	156.5	-178	44.5	0	0	0	0	112.2
1449	V	24.2	Very low	26.4	Very low	134 Å²	134	141.9 Å²	141.9	81%	0.812	77%	0.771	S	S	*	*			trans	44.6	100.9	159.4	-175.3	0	0	0	0	116.7
1450	T	25.8	Very low	26.8	Very low	129 Å²	129	137.9 Å²	137.9	79%	0.791	76%	0.759	S	S	*	*			trans	-152.7	119.3	139.3	-9.6	0	0	0	0	110.2
1451	T	23.7	Very low	27.1	Very low	127 Å²	127	138.9 Å²	138.9	78%	0.779	75%	0.752	S	S	*	*			trans	-80.6	116.6	-177.8	46.3	0	0	0	0	111.2
1452	H	28	Very low	27.9	Very low	178 Å²	178	136.9 Å²	136.9	82%	0.824	74%	0.74	S	S	*	*			trans	-134.3	122.1	166.3	-83.8	6.1	0	0	0	109.9
1453	D	26.6	Very low	28.3	Very low	158 Å²	158	137.2 Å²	137.2	85%	0.845	73%	0.733	S	S	*	*			trans	-64	141.7	175	-52.3	-77.2	0	0	0	111.5
1454	L	29.3	Very low	28.5	Very low	160 Å²	160	131.8 Å²	131.8	84%	0.838	71%	0.714	S	S	*	*			trans	-157.9	90.4	165.1	-115.4	167.4	0	0	0	111.8	K1456	L1454-K1456 VanDerWaalsContact C-N 3.31Å; L1454-K1456 PolarHBondContact O-N 3.48Å
1455	E	27.6	Very low	29.1	Very low	171 Å²	171	134.2 Å²	134.2	80%	0.799	71%	0.708	S	S	*	*			trans	-67.7	76.2	176.5	-56.4	173.2	123.6	0	0	112.4
1456	K	30.7	Very low	29.6	Very low	160 Å²	160	134.2 Å²	134.2	70%	0.696	70%	0.701	S	S	*	*	S	Bend	trans	-166.9	130.2	159.5	-97.4	132.6	-153.1	91.4	0	112.5	L1454 V1458	L1454-K1456 VanDerWaalsContact C-N 3.31Å; L1454-K1456 PolarHBondContact O-N 3.48Å; K1456-V1458 PolarHBondContact O-N 2.74Å
1457	P	27.8	Very low	30	Very low	136 Å²	136	132.9 Å²	132.9	88%	0.883	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-72.1	116.2	173.6	29.2	-33.1	0	0	0	111.2
1458	V	33.7	Very low	30.3	Very low	93 Å²	93	130.9 Å²	130.9	56%	0.564	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-95.9	131.6	176	-179.9	0	0	0	0	110	K1456 Q1462	K1456-V1458 PolarHBondContact O-N 2.74Å; V1458-Q1462 HydrophobicContact CG1-CB 3.97Å
1459	S	33.3	Very low	30.7	Very low	53 Å²	53	133.3 Å²	133.3	37%	0.371	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-72.9	148.3	-175.6	70.1	0	0	0	0	113.4	R1461 Q1462 Q1463	S1459-R1461 PolarHBondContact O-N 3.29Å; S1459-Q1462 WeakPolarHBondContact O-CB 3.42Å; S1459-Q1462 PolarHBondContact O-N 3.03Å; S1459-Q1462 WeakPolarHBondContact OG-CG 3.03Å; S1459-Q1462 PolarHBondContact OG-N 2.79Å; S1459-Q1462 PolarHBondContact OG-OE1 2.85Å; S1459-Q1463 PolarHBondContact O-N 3.3Å; S1459-Q1463 VanDerWaalsContact O-N 3.1Å
1460	V	29.7	Very low	30.9	Very low	102 Å²	102	132.9 Å²	132.9	62%	0.618	68%	0.675	S	S	*	*	H	α-helix	trans	-57.1	-31.1	171.7	-177.5	0	0	0	0	111.5	Q1462 Q1463 F1464	V1460-Q1462 VanDerWaalsContact C-N 3.34Å; V1460-Q1462 PolarHBondContact O-N 3.18Å; V1460-Q1463 PolarHBondContact O-N 2.83Å; V1460-F1464 PolarHBondContact O-N 3.47Å
1461	R	31.3	Very low	31.1	Very low	169 Å²	169	133.6 Å²	133.6	64%	0.638	67%	0.674	S	S	*	*	H	α-helix	trans	-65.5	-34.4	174.9	-158.4	171.5	-173.2	163.3	1.6	111.6	E269 S1459 M1465	E269-R1461 IonicContact OE1-CZ 3.95Å; E269-R1461 IonicContact OE1-NH1 3.76Å; E269-R1461 IonicContact OE1-NH2 3.11Å; E269-R1461 PolarHBondContact OE1-NH2 3.3Å; E269-R1461 VanDerWaalsContact OE1-NH2 3.11Å; S1459-R1461 PolarHBondContact O-N 3.29Å; R1461-M1465 VanDerWaalsContact O-CB 3.3Å; R1461-M1465 WeakPolarHBondContact O-CB 3.27Å; R1461-M1465 WeakPolarHBondContact O-CG 3.23Å; R1461-M1465 PolarHBondContact O-N 3.12Å
1462	Q	42.9	Very low	31.5	Very low	109 Å²	109	135.7 Å²	135.7	51%	0.509	68%	0.675	S	S	.	*	H	α-helix	trans	-74.6	-35.3	173.1	-73.2	158.3	-53.6	0	0	112.7	V1458 S1459 V1460 K1466	V1458-Q1462 HydrophobicContact CG1-CB 3.97Å; S1459-Q1462 WeakPolarHBondContact O-CB 3.42Å; S1459-Q1462 PolarHBondContact O-N 3.03Å; S1459-Q1462 WeakPolarHBondContact OG-CG 3.03Å; S1459-Q1462 PolarHBondContact OG-N 2.79Å; S1459-Q1462 PolarHBondContact OG-OE1 2.85Å; V1460-Q1462 VanDerWaalsContact C-N 3.34Å; V1460-Q1462 PolarHBondContact O-N 3.18Å; Q1462-K1466 PolarHBondContact O-N 2.91Å; Q1462-K1466 VanDerWaalsContact O-N 3.14Å
1463	Q	33.3	Very low	31.5	Very low	110 Å²	110	133.4 Å²	133.4	51%	0.514	67%	0.668	S	S	.	*	H	α-helix	trans	-62.2	-47.2	172.2	-65.7	171.8	-17.1	0	0	110.7	S1459 V1460 K1466 L1467	S1459-Q1463 PolarHBondContact O-N 3.3Å; S1459-Q1463 VanDerWaalsContact O-N 3.1Å; V1460-Q1463 PolarHBondContact O-N 2.83Å; Q1463-K1466 PolarHBondContact O-N 2.91Å; Q1463-L1467 WeakPolarHBondContact O-CD1 3.36Å; Q1463-L1467 PolarHBondContact O-N 3.11Å
1464	F	30.3	Very low	31.6	Very low	117 Å²	117	136.3 Å²	136.3	51%	0.513	67%	0.667	S	S	.	*	H	α-helix	trans	-66.1	-39.2	177.1	-120.7	-88.1	0	0	0	113.5	V1460 K1466 L1467	V1460-F1464 PolarHBondContact O-N 3.47Å; F1464-K1466 VanDerWaalsContact C-N 3.32Å; F1464-K1466 PolarHBondContact O-N 3.02Å; F1464-L1467 PolarHBondContact O-N 3.24Å
1465	M	36.3	Very low	31.5	Very low	122 Å²	122	136 Å²	136	60%	0.601	67%	0.666	S	S	*	*	H	α-helix	trans	-67.3	-30.8	178.5	-76.6	-73.9	169.2	0	0	112.9	R1461	R1461-M1465 VanDerWaalsContact O-CB 3.3Å; R1461-M1465 WeakPolarHBondContact O-CB 3.27Å; R1461-M1465 WeakPolarHBondContact O-CG 3.23Å; R1461-M1465 PolarHBondContact O-N 3.12Å
1466	K	34.8	Very low	31.5	Very low	170 Å²	170	132.1 Å²	132.1	74%	0.739	66%	0.658	S	S	*	*	H	α-helix	trans	-71.4	-26.3	173.1	-78.4	-174.3	173.1	-174.3	0	113.6	Q1462 Q1463 F1464	Q1462-K1466 PolarHBondContact O-N 2.91Å; Q1462-K1466 VanDerWaalsContact O-N 3.14Å; Q1463-K1466 PolarHBondContact O-N 2.91Å; F1464-K1466 VanDerWaalsContact C-N 3.32Å; F1464-K1466 PolarHBondContact O-N 3.02Å
1467	L	32	Very low	31.3	Very low	128 Å²	128	134 Å²	134	67%	0.67	67%	0.667	S	S	*	*	H	α-helix	trans	-74.8	-26.6	177.3	-100.7	76.4	0	0	0	113.7	Q1463 F1464 Q1469	Q1463-L1467 WeakPolarHBondContact O-CD1 3.36Å; Q1463-L1467 PolarHBondContact O-N 3.11Å; F1464-L1467 PolarHBondContact O-N 3.24Å; L1467-Q1469 VanDerWaalsContact C-N 3.33Å; L1467-Q1469 PolarHBondContact O-N 3.38Å
1468	N	31.4	Very low	31.1	Very low	122 Å²	122	132.5 Å²	132.5	65%	0.652	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	18.7	-173.2	-80.2	-22.1	0	0	0	114.8
1469	Q	32.2	Very low	30.8	Very low	152 Å²	152	136.9 Å²	136.9	71%	0.71	68%	0.682	S	S	*	*			trans	-106.4	33.7	177.9	-66.1	-172.1	-30.9	0	0	113	L1467	L1467-Q1469 VanDerWaalsContact C-N 3.33Å; L1467-Q1469 PolarHBondContact O-N 3.38Å
1470	M	28.4	Very low	30.5	Very low	124 Å²	124	139.2 Å²	139.2	61%	0.611	70%	0.698	S	S	*	*			trans	-103.2	11.1	-176.4	-75.7	-81.2	86.2	0	0	115.6	E1472 L1473	M1470-E1472 VanDerWaalsContact C-N 3.29Å; M1470-E1472 PolarHBondContact O-N 3.45Å; M1470-L1473 HydrophobicContact CE-CD1 3.61Å; M1470-L1473 HydrophobicContact CE-CG 4.12Å; M1470-L1473 HydrophobicContact SD-CD1 4.08Å
1471	D	29.2	Very low	30.2	Very low	145 Å²	145	139.7 Å²	139.7	78%	0.775	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-73.4	-14.5	176.7	-90.1	-38.7	0	0	0	114.1
1472	E	33.1	Very low	29.9	Very low	171 Å²	171	138.1 Å²	138.1	80%	0.799	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-86.2	-19.4	-175.8	-63.6	-167.3	134.8	0	0	114.6	M1470 R1474	M1470-E1472 VanDerWaalsContact C-N 3.29Å; M1470-E1472 PolarHBondContact O-N 3.45Å; E1472-R1474 VanDerWaalsContact C-N 3.25Å; E1472-R1474 PolarHBondContact O-N 2.73Å
1473	L	28.3	Very low	28.8	Very low	130 Å²	130	136.4 Å²	136.4	68%	0.681	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-83.4	14.5	-178.5	-74	-177.3	0	0	0	114.9	M1470	M1470-L1473 HydrophobicContact CE-CD1 3.61Å; M1470-L1473 HydrophobicContact CE-CG 4.12Å; M1470-L1473 HydrophobicContact SD-CD1 4.08Å
1474	R	27.5	Very low	28.3	Very low	218 Å²	218	141.9 Å²	141.9	82%	0.823	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-99	6.6	-175.4	-143	174.9	-176	-179.5	1.8	115.6	E1472	E1472-R1474 VanDerWaalsContact C-N 3.25Å; E1472-R1474 PolarHBondContact O-N 2.73Å
1475	N	27.3	Very low	27.9	Very low	155 Å²	155	143.5 Å²	143.5	83%	0.829	74%	0.74	S	S	*	*	S	Bend	trans	-96.3	1.6	-173.4	-73.1	-39.1	0	0	0	115.4
1476	S	28	Very low	27.2	Very low	89 Å²	89	145.9 Å²	145.9	62%	0.622	75%	0.754	S	S	*	*	S	Bend	trans	-101.2	-16.9	-164.3	50.1	0	0	0	0	117.1
1477	F	27.3	Very low	26.6	Very low	200 Å²	200	145.4 Å²	145.4	88%	0.877	75%	0.752	S	S	*	*			trans	-130.9	112	-179	-79.3	-82.7	0	0	0	112.7
1478	A	23.7	Very low	26.2	Very low	104 Å²	104	145.4 Å²	145.4	86%	0.86	76%	0.76	S	S	*	*			trans	-98.3	120.9	179.3	0	0	0	0	0	111.3
1479	M	26.8	Very low	25.8	Very low	184 Å²	184	144.1 Å²	144.1	91%	0.906	77%	0.765	S	S	*	*			trans	-138.5	143.1	162.3	-91.7	-64.2	-169.8	0	0	110.5
1480	S	26.3	Very low	25.2	Very low	102 Å²	102	143.2 Å²	143.2	71%	0.713	77%	0.765	S	S	*	*			trans	-44.5	135	-167.1	29.5	0	0	0	0	119
1481	E	23.8	Very low	24.9	Very low	113 Å²	113	144.4 Å²	144.4	53%	0.528	77%	0.773	S	S	.	*				23.7	100.7	128.5	-58.2	-176.4	-164.3	0	0	118.7	T1629	E1481-T1629 VanDerWaalsContact CD-CG2 3.46Å; E1481-T1629 HydrophobicContact CG-CG2 3.71Å; E1481-T1629 WeakPolarHBondContact OE1-CB 3.43Å; E1481-T1629 WeakPolarHBondContact OE1-CG2 3.46Å; E1481-T1629 PolarHBondContact OE1-OG1 2.87Å
1482	N	24.7	Very low	24.6	Very low	136 Å²	136	148.4 Å²	148.4	73%	0.727	78%	0.777	S	S	*	*				174.8	121.1	108.5	-94.9	-71.1	0	0	0	110.8
1483	G	21	Very low	24	Very low	73 Å²	73	147 Å²	147	75%	0.753	77%	0.774	S	S	*	*			trans	-88.8	130.6	-167.4	0	0	0	0	0	115.7
1484	Y	22.4	Very low	23.6	Very low	225 Å²	225	145.8 Å²	145.8	88%	0.882	77%	0.773	S	S	*	*			trans	-135.5	137.1	152.1	-88.7	-75.3	0	0	0	111.8	L1486	Y1484-L1486 PolarHBondContact O-N 2.66Å
1485	I	21.3	Very low	23.4	Very low	151 Å²	151	142.2 Å²	142.2	77%	0.774	78%	0.776	S	S	*	*			trans	-73.1	116.8	176.2	-59.8	163.9	0	0	0	108.8	K1487	I1485-K1487 PolarHBondContact O-N 3.32Å; I1485-K1487 VanDerWaalsContact O-N 3.12Å
1486	L	22.3	Very low	23.2	Very low	172 Å²	172	141.3 Å²	141.3	90%	0.901	77%	0.77	S	S	*	*			trans	-72.5	104.2	179.3	-83.1	170.5	0	0	0	111.8	Y1484	Y1484-L1486 PolarHBondContact O-N 2.66Å
1487	K	21.2	Very low	22.9	Very low	160 Å²	160	143.1 Å²	143.1	70%	0.696	77%	0.773	S	S	*	*			trans	-88	131.9	173.5	-62.3	170.5	-177.8	172	0	110.5	I1485 A1489	I1485-K1487 PolarHBondContact O-N 3.32Å; I1485-K1487 VanDerWaalsContact O-N 3.12Å; K1487-A1489 PolarHBondContact O-N 3.05Å
1488	P	24	Very low	22.8	Very low	128 Å²	128	143.3 Å²	143.3	83%	0.831	77%	0.768	S	S	*	*	S	Bend	trans	-67.8	114.9	167.4	-21.5	34.4	0	0	0	112.2
1489	A	22.5	Very low	22.8	Very low	94 Å²	94	147.2 Å²	147.2	78%	0.777	76%	0.761	S	S	*	*			trans	48.3	86.4	161	0	0	0	0	0	118.8	K1487	K1487-A1489 PolarHBondContact O-N 3.05Å
1490	L	21.1	Very low	22.7	Very low	134 Å²	134	145.7 Å²	145.7	70%	0.702	75%	0.752	S	S	*	*			trans	-94.4	86.3	163.5	-139.9	179.4	0	0	0	110.3	R1492	L1490-R1492 HydrophobicContact CD2-CG 4.36Å; L1490-R1492 PolarHBondContact O-N 3.09Å
1491	L	21.6	Very low	22.5	Very low	149 Å²	149	151.1 Å²	151.1	78%	0.78	76%	0.756	S	S	*	*			trans	-73.8	109.1	173.9	-99.9	168.1	0	0	0	110.8	I1493	L1491-I1493 HydrophobicContact CD2-CD1 4.3Å; L1491-I1493 HydrophobicContact CD2-CG1 4.3Å
1492	R	22.7	Very low	22.5	Very low	228 Å²	228	154.8 Å²	154.8	86%	0.86	77%	0.771	S	S	*	*			trans	-98.1	107.5	167.8	-83.3	-178.6	168.2	175.9	-3.7	110.2	L1490	L1490-R1492 HydrophobicContact CD2-CG 4.36Å; L1490-R1492 PolarHBondContact O-N 3.09Å
1493	I	20.8	Very low	22.3	Very low	143 Å²	143	154.7 Å²	154.7	73%	0.733	77%	0.77	S	S	*	*			trans	-142.2	155.1	159.3	-4.7	179.6	0	0	0	107.5	L1491	L1491-I1493 HydrophobicContact CD2-CD1 4.3Å; L1491-I1493 HydrophobicContact CD2-CG1 4.3Å
1494	P	20.4	Very low	22.5	Very low	103 Å²	103	158 Å²	158	67%	0.669	77%	0.768	S	S	*	*				-112	160.7	-91.6	35.9	-27.1	0	0	0	113.9
1495	T	22.2	Very low	22.5	Very low	144 Å²	144	152.5 Å²	152.5	88%	0.883	76%	0.759	S	S	*	*			trans	-72.7	122.9	168.9	48	0	0	0	0	111.2
1496	I	22.9	Very low	22.6	Very low	136 Å²	136	156.5 Å²	156.5	70%	0.697	76%	0.764	S	S	*	*			trans	-127	111	165.3	-64.1	-176.8	0	0	0	109.1
1497	N	22.4	Very low	22.7	Very low	126 Å²	126	160.5 Å²	160.5	67%	0.674	77%	0.767	S	S	*	*			trans	50.8	125.4	150.8	-59.3	-21.8	0	0	0	119
1498	R	25	Very low	22.8	Very low	205 Å²	205	160.3 Å²	160.3	77%	0.774	77%	0.766	S	S	*	*				50.3	117.3	61.4	-57.6	179.8	171.6	175.6	-2.6	109.6
1499	Y	23.1	Very low	22.8	Very low	186 Å²	186	162.9 Å²	162.9	73%	0.729	76%	0.761	S	S	*	*				-167	174.5	60.7	-83.7	-91.5	0	0	0	106.9
1500	H	24.3	Very low	23	Very low	151 Å²	151	166.7 Å²	166.7	70%	0.699	76%	0.762	S	S	*	*			cis	-140.5	152.2	8.2	-142	-75.9	0	0	0	111.1
1501	R	22.2	Very low	23.2	Very low	216 Å²	216	169.5 Å²	169.5	82%	0.815	77%	0.769	S	S	*	*			trans	-86.7	142.7	166.1	-85	173.2	162.7	178.5	-5.1	110.1
1502	K	24.2	Very low	23.4	Very low	191 Å²	191	170.7 Å²	170.7	83%	0.83	78%	0.775	S	S	*	*			trans	58.6	-179.3	151.9	-66.5	-175.1	173.8	-172.6	0	116
1503	L	21.7	Very low	23.7	Very low	134 Å²	134	169.2 Å²	169.2	70%	0.702	78%	0.775	S	S	*	*			trans	74.8	140.6	-172.2	-48.6	171.3	0	0	0	112.4
1504	I	23.3	Very low	24.2	Very low	142 Å²	142	167.1 Å²	167.1	73%	0.728	77%	0.771	S	S	*	*			cis	-141.9	165	-7.2	-120.9	160.8	0	0	0	111.1
1505	T	23.8	Very low	24.5	Very low	110 Å²	110	171.5 Å²	171.5	68%	0.675	78%	0.78	S	S	*	*			trans	-80.7	154.9	-175.7	54	0	0	0	0	115.1
1506	R	22.6	Very low	24.7	Very low	235 Å²	235	169.5 Å²	169.5	89%	0.887	77%	0.771	S	S	*	*			trans	57.3	119.7	148.7	-68.7	166.8	170.9	-178	-2.3	118.4
1507	R	24.9	Very low	24.9	Very low	256 Å²	256	170.2 Å²	170.2	97%	0.966	78%	0.777	S	S	*	*				-164.8	-177.2	111.1	-105.7	165	-178.8	178.8	-0.6	112
1508	K	22.9	Very low	25.4	Very low	155 Å²	155	168.6 Å²	168.6	67%	0.674	77%	0.773	S	S	*	*			trans	-131.5	171.5	-163.1	-65.8	176.9	171.2	-178.5	0	111.3
1509	Y	24.9	Very low	25.4	Very low	183 Å²	183	166 Å²	166	72%	0.718	78%	0.775	S	S	*	*			trans	74.1	158.9	163.1	-51.9	-69.1	0	0	0	115.2
1510	Q	25.2	Very low	25.6	Very low	174 Å²	174	163.1 Å²	163.1	81%	0.813	78%	0.781	S	S	*	*			cis	-142.9	174.5	2.6	-148.3	138	-36.4	0	0	111.9
1511	K	26.1	Very low	25.6	Very low	192 Å²	192	163 Å²	163	84%	0.835	79%	0.786	S	S	*	*			trans	-77.6	157.6	171.6	-62.6	178.7	175.5	-177.7	0	111.3
1512	L	26.2	Very low	25.7	Very low	175 Å²	175	160 Å²	160	92%	0.916	79%	0.786	S	S	*	*				-171.7	142.6	126.4	-99.9	157	0	0	0	112.7
1513	F	28.5	Very low	25.7	Very low	197 Å²	197	159.6 Å²	159.6	86%	0.864	79%	0.789	S	S	*	*			trans	-96.7	-174.5	161.1	-90.2	-87.7	0	0	0	107.4
1514	P	31.4	Very low	25.8	Very low	99 Å²	99	163.8 Å²	163.8	64%	0.643	80%	0.796	S	S	*	*			cis	-147.5	-178.2	16.3	45.8	-26.7	0	0	0	118.4
1515	K	26.4	Very low	25.9	Very low	195 Å²	195	164.4 Å²	164.4	85%	0.848	80%	0.8	S	S	*	*			trans	60.4	163.5	148.7	-75.3	166.5	-177.8	-170.3	0	118.1
1516	S	26	Very low	25.8	Very low	101 Å²	101	167.5 Å²	167.5	71%	0.706	81%	0.807	S	S	*	*			cis	-161.7	128.7	-11.6	36.2	0	0	0	0	107
1517	D	27.1	Very low	25.8	Very low	152 Å²	152	162 Å²	162	81%	0.813	80%	0.795	S	S	*	*				88.6	173.6	92.5	-136.3	19.3	0	0	0	112.2
1518	P	33.6	Very low	25.8	Very low	92 Å²	92	156.3 Å²	156.3	60%	0.597	80%	0.795	S	S	*	*				-126.8	-165.8	-104.1	41.7	-26.2	0	0	0	116.6
1519	N	25.4	Very low	25.8	Very low	151 Å²	151	152.1 Å²	152.1	81%	0.807	78%	0.784	S	S	*	*			trans	78.1	110.9	166.9	-61.4	-21.6	0	0	0	120.1
1520	S	26.4	Very low	25.6	Very low	125 Å²	125	152.3 Å²	152.3	87%	0.874	79%	0.785	S	S	*	*				-177.4	161.3	116.8	36.4	0	0	0	0	111.8
1521	N	25.6	Very low	25.5	Very low	148 Å²	148	152.7 Å²	152.7	79%	0.791	79%	0.792	S	S	*	*			trans	-84.4	166.2	-177.3	-77.2	-37.1	0	0	0	113.2
1522	N	24.3	Very low	25.3	Very low	153 Å²	153	153.9 Å²	153.9	82%	0.818	79%	0.791	S	S	*	*			trans	70.1	113	173.8	-51.2	-32.7	0	0	0	113.8
1523	M	23.9	Very low	25.1	Very low	183 Å²	183	148.9 Å²	148.9	90%	0.901	77%	0.77	S	S	*	*				-153.7	140.7	78	-93.4	-70.7	-128	0	0	113
1524	R	23.7	Very low	24.9	Very low	221 Å²	221	144.4 Å²	144.4	83%	0.834	77%	0.769	S	S	*	*			trans	-68.5	158.4	158.1	-83.2	176	164.1	155.2	-7	109.7
1525	N	24.6	Very low	24.5	Very low	155 Å²	155	144.5 Å²	144.5	83%	0.829	77%	0.771	S	S	*	*	S	Bend	trans	65.1	59.1	164.4	-55	-9.6	0	0	0	116.6
1526	Q	22.7	Very low	24.4	Very low	175 Å²	175	140 Å²	140	82%	0.818	76%	0.763	S	S	*	*			trans	-150.6	153.8	155.8	-122.1	169.6	61.1	0	0	113.8
1527	L	23	Very low	24.3	Very low	120 Å²	120	144.1 Å²	144.1	63%	0.628	77%	0.765	S	S	*	*			trans	65.8	65.2	166	-57.3	176.8	0	0	0	117.3	S1529	L1527-S1529 PolarHBondContact O-N 2.84Å
1528	S	23.9	Very low	24.2	Very low	137 Å²	137	142.7 Å²	142.7	96%	0.958	76%	0.757	S	S	*	*			trans	-62.4	48.3	154.8	54.5	0	0	0	0	113.4
1529	S	22.4	Very low	23.8	Very low	66 Å²	66	142.2 Å²	142.2	46%	0.462	75%	0.754	S	S	.	*			trans	-148.1	31.2	-160.1	67.5	0	0	0	0	116.4	L1527	L1527-S1529 PolarHBondContact O-N 2.84Å
1530	Y	21.8	Very low	23.7	Very low	188 Å²	188	141.5 Å²	141.5	74%	0.737	75%	0.75	S	S	*	*			trans	-128	77.3	172	-85.3	-66.6	0	0	0	115.1	R1532	Y1530-R1532 PolarHBondContact O-N 3.49Å
1531	L	22.3	Very low	23.7	Very low	181 Å²	181	143 Å²	143	95%	0.948	75%	0.747	S	S	*	*			trans	-61.8	118	154.7	-86.6	157.7	0	0	0	110
1532	R	21.8	Very low	23.6	Very low	218 Å²	218	144.1 Å²	144.1	82%	0.823	75%	0.75	S	S	*	*			trans	-117.5	132.7	160.5	-76.3	-169.4	174.7	-171.2	1.1	110.6	Y1530	Y1530-R1532 PolarHBondContact O-N 3.49Å
1533	C	21.6	Very low	23.6	Very low	70 Å²	70	141.7 Å²	141.7	47%	0.473	75%	0.745	S	S	.	*			trans	-64.4	139.3	-171.6	-176.8	0	0	0	0	112.6	C1535 C1536	C1533-C1535 HydrophobicContact CB-CB 4.31Å; C1533-C1535 WeakPolarHBondContact CB-SG 3.2Å; C1533-C1535 PolarHBondContact O-N 3.47Å; C1533-C1535 WeakPolarHBondContact SG-CB 3.45Å; C1533-C1535 PolarHBondContact SG-N 2.68Å; C1533-C1535 CovalentContact SG-SG 2.05Å; C1533-C1535 PolarHBondContact SG-SG 2.83Å; C1533-C1536 PolarHBondContact O-N 3.01Å
1534	A	24.4	Very low	23.6	Very low	102 Å²	102	138.1 Å²	138.1	84%	0.843	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	3.6	167.8	0	0	0	0	0	114.2
1535	C	24.1	Very low	23.7	Very low	101 Å²	101	135.4 Å²	135.4	68%	0.682	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-2.6	169.3	57.9	0	0	0	0	114	C1533	C1533-C1535 HydrophobicContact CB-CB 4.31Å; C1533-C1535 WeakPolarHBondContact CB-SG 3.2Å; C1533-C1535 PolarHBondContact O-N 3.47Å; C1533-C1535 WeakPolarHBondContact SG-CB 3.45Å; C1533-C1535 PolarHBondContact SG-N 2.68Å; C1533-C1535 CovalentContact SG-SG 2.05Å; C1533-C1535 PolarHBondContact SG-SG 2.83Å
1536	C	24.1	Very low	23.7	Very low	102 Å²	102	134.1 Å²	134.1	69%	0.689	74%	0.737	S	S	*	*	S	Bend	trans	-123.2	23	-172.6	-56.3	0	0	0	0	114.5	C1533	C1533-C1536 PolarHBondContact O-N 3.01Å
1537	Y	23.7	Very low	24	Very low	186 Å²	186	133.5 Å²	133.5	73%	0.729	73%	0.734	S	S	*	*			trans	-112.7	110.1	-175.6	-161.1	-87.2	0	0	0	111.4
1538	D	24.8	Very low	24.1	Very low	122 Å²	122	134.8 Å²	134.8	65%	0.652	74%	0.741	S	S	*	*			trans	-110.8	105.5	-178.1	-162.1	6	0	0	0	111.3	L1540	D1538-L1540 VanDerWaalsContact C-N 3.28Å; D1538-L1540 PolarHBondContact O-N 2.79Å
1539	P	26	Very low	24.2	Very low	83 Å²	83	134.7 Å²	134.7	54%	0.539	73%	0.728	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.4	68.2	-175.1	35.7	-35.5	0	0	0	110.9
1540	L	23.3	Very low	24.3	Very low	136 Å²	136	134.6 Å²	134.6	71%	0.712	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.4	-4.4	179.2	-77.5	178	0	0	0	114.9	D1538	D1538-L1540 VanDerWaalsContact C-N 3.28Å; D1538-L1540 PolarHBondContact O-N 2.79Å
1541	D	25.9	Very low	24.6	Very low	155 Å²	155	134 Å²	134	83%	0.829	74%	0.739	S	S	*	*			trans	-82.4	137.4	170.5	-119.3	-37.8	0	0	0	110.8
1542	M	23.2	Very low	24.8	Very low	172 Å²	172	131.7 Å²	131.7	85%	0.847	73%	0.726	S	S	*	*			trans	-142.3	59	-161.3	-81.2	-76.5	-58.3	0	0	112.2
1543	S	23.7	Very low	24.9	Very low	103 Å²	103	130.6 Å²	130.6	72%	0.72	72%	0.723	S	S	*	*			trans	-163.9	97.2	174.8	54.2	0	0	0	0	113.8
1544	S	25	Very low	25.1	Very low	108 Å²	108	134.6 Å²	134.6	76%	0.755	74%	0.74	S	S	*	*	S	Bend	trans	179.4	-48.5	155.5	43.5	0	0	0	0	114.4	C1546	S1544-C1546 PolarHBondContact O-N 2.93Å
1545	E	25.7	Very low	25.2	Very low	164 Å²	164	132.8 Å²	132.8	77%	0.766	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-92.6	9	-159.4	-64.1	-175.2	143.5	0	0	116.9	E1547	E1545-E1547 VanDerWaalsContact C-N 3.27Å; E1545-E1547 PolarHBondContact O-N 3.48Å
1546	C	25.4	Very low	25.3	Very low	128 Å²	128	135.7 Å²	135.7	87%	0.865	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-73.9	-7.6	-174.6	-69.2	0	0	0	0	115.3	S1544	S1544-C1546 PolarHBondContact O-N 2.93Å
1547	E	27.1	Very low	25.2	Very low	162 Å²	162	136.6 Å²	136.6	76%	0.757	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-104.2	-13.2	-169.3	-62.7	-170.4	136.6	0	0	115.7	E1545	E1545-E1547 VanDerWaalsContact C-N 3.27Å; E1545-E1547 PolarHBondContact O-N 3.48Å
1548	L	25.2	Very low	25.2	Very low	147 Å²	147	135.2 Å²	135.2	77%	0.77	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-28.3	-174.6	-98.7	101	0	0	0	115.9
1549	I	26.4	Very low	25.3	Very low	134 Å²	134	136.7 Å²	136.7	69%	0.687	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-82	-21.4	-175.9	-62.7	177.9	0	0	0	111.8	K1551	I1549-K1551 PolarHBondContact O-N 3.45Å
1550	G	25.3	Very low	25	Very low	64 Å²	64	140.2 Å²	140.2	66%	0.66	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-71.9	10.6	179.2	0	0	0	0	0	116.4
1551	K	27.1	Very low	25	Very low	176 Å²	176	145.2 Å²	145.2	77%	0.765	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-119	6.7	-176	-69.4	-176.1	178.1	175.4	0	115.1	I1549	I1549-K1551 PolarHBondContact O-N 3.45Å
1552	I	26.7	Very low	24.8	Very low	133 Å²	133	143.6 Å²	143.6	68%	0.682	78%	0.775	S	S	*	*	S	Bend	trans	-109	-16.5	-175.1	-62.9	177.5	0	0	0	112.5
1553	Y	24.1	Very low	24.8	Very low	194 Å²	194	142 Å²	142	76%	0.761	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-7.2	-168.5	-110.8	-88	0	0	0	116.5
1554	D	25.3	Very low	24.8	Very low	155 Å²	155	143.2 Å²	143.2	83%	0.829	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	2.7	-178.8	-65.2	-40.9	0	0	0	114.1
1555	G	26.4	Very low	24.7	Very low	64 Å²	64	143.2 Å²	143.2	66%	0.66	78%	0.778	S	S	*	*	S	Bend	trans	-98	-11.4	-161.6	0	0	0	0	0	118.5
1556	I	26.3	Very low	24.7	Very low	162 Å²	162	140.2 Å²	140.2	83%	0.831	78%	0.775	S	S	*	*			trans	-130.4	77.8	-170.2	-47.6	-177.6	0	0	0	111.7
1557	T	23.3	Very low	24.6	Very low	121 Å²	121	142 Å²	142	74%	0.742	77%	0.771	S	S	*	*			trans	-116.5	156.5	152.4	51.6	0	0	0	0	108.4
1558	N	23.6	Very low	24.5	Very low	156 Å²	156	141.7 Å²	141.7	83%	0.834	77%	0.769	S	S	*	*			trans	65.8	89.7	-174.7	-51.8	-32.8	0	0	0	116.1
1559	L	25.5	Very low	24.6	Very low	154 Å²	154	138.1 Å²	138.1	81%	0.806	76%	0.761	S	S	*	*			trans	-158.3	107.4	147.5	-113.2	165.6	0	0	0	109.9
1560	N	21.5	Very low	24.5	Very low	156 Å²	156	134.8 Å²	134.8	83%	0.834	75%	0.745	S	S	*	*			trans	-80.4	124.8	173.4	-71.2	-28.2	0	0	0	109.5
1561	W	23.4	Very low	24.5	Very low	241 Å²	241	137.7 Å²	137.7	91%	0.913	74%	0.739	S	S	*	*			trans	-141.7	151.1	161	-95.4	-2.9	0	0	0	111.7
1562	P	21.2	Very low	24.4	Very low	121 Å²	121	134.2 Å²	134.2	79%	0.786	72%	0.722	S	S	*	*			trans	-88.3	168.6	-163.2	35.6	-37.6	0	0	0	114.9
1563	T	22.3	Very low	24.3	Very low	138 Å²	138	131.9 Å²	131.9	85%	0.847	71%	0.711	S	S	*	*			trans	-72.6	133.6	178.2	46.1	0	0	0	0	114.5
1564	T	23.2	Very low	24.4	Very low	129 Å²	129	128.3 Å²	128.3	79%	0.791	71%	0.712	S	S	*	*			trans	-149.7	133.8	148	44	0	0	0	0	110.9
1565	S	23.7	Very low	24.4	Very low	109 Å²	109	127.9 Å²	127.9	76%	0.762	70%	0.698	S	S	*	*			trans	17.3	146.3	145.8	59.7	0	0	0	0	121.4
1566	S	25	Very low	24.4	Very low	100 Å²	100	132.1 Å²	132.1	70%	0.699	71%	0.706	S	S	*	*			cis	-177.4	177	-6.6	53.5	0	0	0	0	110
1567	Q	25	Very low	24.4	Very low	166 Å²	166	132.1 Å²	132.1	78%	0.776	70%	0.697	S	S	*	*			trans	120.4	139.2	155.2	-66.8	-174.8	-16.9	0	0	118.3
1568	E	23.7	Very low	24.4	Very low	155 Å²	155	131 Å²	131	72%	0.724	69%	0.69	S	S	*	*			trans	67.4	138.3	156	-73.9	-176.8	-153.4	0	0	120.6
1569	A	26.7	Very low	24.4	Very low	72 Å²	72	130.6 Å²	130.6	60%	0.595	69%	0.687	S	S	*	*			cis	-153	141.2	-9.1	0	0	0	0	0	111.4
1570	N	24.4	Very low	24.4	Very low	65 Å²	65	131 Å²	131	35%	0.348	68%	0.684	S	S	.	*			trans	-81.4	139	-164.7	-114.8	-48	0	0	0	115.3	S509 Y1572	S509-N1570 PolarHBondContact OG-ND2 3.07Å; N1570-Y1572 HydrophobicContact CB-CE2 4.2Å
1571	F	26	Very low	24.5	Very low	124 Å²	124	130.6 Å²	130.6	54%	0.544	68%	0.682	S	S	.	*			trans	-122.7	81.3	-176.2	-95.3	-108.1	0	0	0	113.4	L1573 R1825	F1571-L1573 PolarHBondContact O-N 3.07Å; F1571-R1825 VanDerWaalsContact CG-NH1 3.27Å
1572	Y	24.8	Very low	24.6	Very low	103 Å²	103	125.5 Å²	125.5	40%	0.404	67%	0.671	S	S	.	*			trans	-65.2	129	174.2	-69.9	-84.9	0	0	0	112.6	N1570 R1825 R1877	N1570-Y1572 HydrophobicContact CB-CE2 4.2Å; Y1572-R1825 PolarHBondContact O-NH2 3.38Å; Y1572-R1877 PolarHBondContact OH-NH2 2.91Å
1573	L	25.5	Very low	24.7	Very low	85 Å²	85	126.9 Å²	126.9	45%	0.445	67%	0.672	S	S	.	*			trans	-149.5	127.6	168.2	-90.9	174	0	0	0	109.1	F1571	F1571-L1573 PolarHBondContact O-N 3.07Å
1574	P	26	Very low	24.7	Very low	119 Å²	119	129.4 Å²	129.4	77%	0.773	67%	0.671	S	S	*	*			trans	-63.4	164	175.5	27.7	-34.1	0	0	0	111.7
1575	W	25.5	Very low	24.7	Very low	145 Å²	145	131.1 Å²	131.1	55%	0.549	67%	0.672	S	S	.	*			trans	-91.3	131.6	-168.2	-68.3	34.3	0	0	0	111.7
1576	N	25.6	Very low	24.8	Very low	154 Å²	154	134.8 Å²	134.8	82%	0.824	67%	0.674	S	S	*	*			trans	176.3	94.7	149.7	-98.1	-34.6	0	0	0	110.8
1577	Y	25.7	Very low	24.8	Very low	162 Å²	162	136.3 Å²	136.3	64%	0.635	67%	0.674	S	S	*	*			trans	-150.7	106.7	167.8	-85.3	-78.3	0	0	0	111.4	I1816 L1818	Y1577-I1816 WeakPolarHBondContact OH-CG2 3.44Å; Y1577-L1818 HydrophobicContact CE1-CD2 4.19Å; Y1577-L1818 HydrophobicContact CE1-CG 4.3Å; Y1577-L1818 VanDerWaalsContact OH-CD1 3.27Å; Y1577-L1818 WeakPolarHBondContact OH-CD1 3.44Å; Y1577-L1818 WeakPolarHBondContact OH-CG 3.31Å
1578	T	24.8	Very low	24.9	Very low	98 Å²	98	137.5 Å²	137.5	60%	0.601	68%	0.679	S	S	*	*			trans	-85.4	117.7	164.4	44.3	0	0	0	0	109.6	S500 Q1580	S500-T1578 WeakPolarHBondContact O-CG2 3.42Å; T1578-Q1580 PolarHBondContact O-N 3.16Å
1579	L	23.8	Very low	25	Very low	146 Å²	146	132.5 Å²	132.5	76%	0.764	66%	0.661	S	S	*	*			trans	-91.1	102.6	-174.7	-158.1	158.5	0	0	0	110.3	L1581	L1579-L1581 PolarHBondContact O-N 3.4Å
1580	Q	25.6	Very low	25	Very low	162 Å²	162	134.9 Å²	134.9	76%	0.757	66%	0.663	S	S	*	*			trans	-71.7	110.5	178.8	-76.2	-171.1	-18.4	0	0	111.9	T1578 I1582	T1578-Q1580 PolarHBondContact O-N 3.16Å; Q1580-I1582 PolarHBondContact O-N 3.44Å
1581	L	23.4	Very low	25.1	Very low	149 Å²	149	140.4 Å²	140.4	78%	0.78	69%	0.686	S	S	*	*			trans	-79.8	84.5	177.8	-138.5	168.5	0	0	0	110.3	L1579 N1583	L1579-L1581 PolarHBondContact O-N 3.4Å; L1581-N1583 PolarHBondContact O-N 2.96Å
1582	I	24	Very low	25.2	Very low	134 Å²	134	137.4 Å²	137.4	69%	0.687	68%	0.679	S	S	*	*			trans	-70	109.1	175.7	-61	176.4	0	0	0	109.2	Q1580	Q1580-I1582 PolarHBondContact O-N 3.44Å
1583	N	23.5	Very low	25.6	Very low	150 Å²	150	138.9 Å²	138.9	80%	0.802	69%	0.69	S	S	*	*			trans	-73.6	132.8	175	-155	3.9	0	0	0	110.7	L1581 M1585	L1581-N1583 PolarHBondContact O-N 2.96Å; N1583-M1585 PolarHBondContact O-N 3.27Å
1584	F	22.7	Very low	25.5	Very low	190 Å²	190	143.4 Å²	143.4	83%	0.833	70%	0.701	S	S	*	*			trans	-80.6	113.2	-173.3	-98	-107.9	0	0	0	112.1
1585	M	23.4	Very low	25.5	Very low	165 Å²	165	142.6 Å²	142.6	81%	0.813	70%	0.698	S	S	*	*			trans	-166.8	154	146.6	-89.4	-127.1	84.2	0	0	111.3	N1583	N1583-M1585 PolarHBondContact O-N 3.27Å
1586	K	26	Very low	25.5	Very low	186 Å²	186	144 Å²	144	81%	0.809	72%	0.716	S	S	*	*	S	Bend	trans	55.4	60.9	178.1	-67.1	176.5	-179.9	168.7	0	114.7
1587	I	24.4	Very low	25.6	Very low	133 Å²	133	143.8 Å²	143.8	68%	0.682	71%	0.714	S	S	*	*				76.2	110.1	88.7	-63.6	164	0	0	0	114.2
1588	H	28	Very low	25.7	Very low	190 Å²	190	142.6 Å²	142.6	88%	0.88	72%	0.718	S	S	*	*			trans	-71.6	118.1	160.6	-85.1	-98.1	0	0	0	111.4
1589	S	25.5	Very low	25.7	Very low	51 Å²	51	148.3 Å²	148.3	36%	0.357	73%	0.729	S	S	.	*			trans	-169	159.7	154.8	47.7	0	0	0	0	112.4
1590	L	27.1	Very low	25.7	Very low	121 Å²	121	146.6 Å²	146.6	63%	0.634	72%	0.717	S	S	*	*	S	Bend	trans	78.1	119.1	-175.9	-54.2	166.2	0	0	0	114.3	C968	C968-L1590 HydrophobicContact CB-CD2 4.31Å
1591	H	27.1	Very low	25.6	Very low	181 Å²	181	146.7 Å²	146.7	84%	0.838	72%	0.717	S	S	*	*			cis	-112.6	149.7	2.9	-100.1	-91.2	0	0	0	113.9
1592	P	26.2	Very low	25.6	Very low	62 Å²	62	144.3 Å²	144.3	40%	0.403	71%	0.713	S	S	.	*			trans	-109.3	-178.4	-173.8	42.6	-36.5	0	0	0	115	C968	C968-P1592 HydrophobicContact CB-CG 3.99Å
1593	E	33.3	Very low	25.7	Very low	134 Å²	134	145.3 Å²	145.3	63%	0.626	72%	0.717	S	S	*	*			trans	-54.8	137.5	162.9	-54.3	161.1	126.3	0	0	112	K961	K961-E1593 WeakPolarHBondContact CE-OE2 3.35Å; K961-E1593 IonicContact NZ-OE1 2.59Å; K961-E1593 PolarHBondContact NZ-OE1 2.81Å; K961-E1593 IonicContact NZ-OE2 3.32Å; K961-E1593 PolarHBondContact NZ-OE2 2.89Å
1594	R	23.3	Very low	25.7	Very low	180 Å²	180	145.7 Å²	145.7	68%	0.679	71%	0.714	S	S	*	*			trans	-175.3	115.1	134.9	-105.4	161.5	-179.5	173.6	-0.3	115.4
1595	S	26.4	Very low	25.8	Very low	101 Å²	101	141.1 Å²	141.1	71%	0.706	70%	0.702	S	S	*	*			trans	28.3	123.9	135.4	60	0	0	0	0	121.3
1596	L	25.3	Very low	26	Very low	175 Å²	175	141.4 Å²	141.4	92%	0.916	70%	0.701	S	S	*	*			trans	-136.1	98.4	130.3	-112.6	176	0	0	0	109.6
1597	L	28.9	Very low	25.9	Very low	150 Å²	150	137 Å²	137	79%	0.785	69%	0.693	S	S	*	*			trans	-119.2	97.9	170	-158.7	-178.8	0	0	0	105.8
1598	N	27	Very low	25.8	Very low	136 Å²	136	139.8 Å²	139.8	73%	0.727	70%	0.697	S	S	*	*			trans	164.5	107.2	153.9	-87.3	-7.9	0	0	0	111.2
1599	R	24.4	Very low	25.8	Very low	219 Å²	219	139.9 Å²	139.9	83%	0.826	70%	0.698	S	S	*	*				-124.1	119.3	124.2	-96.8	-165.4	144.6	159.5	-2.6	105.9
1600	Q	24.4	Very low	25.7	Very low	110 Å²	110	147.5 Å²	147.5	51%	0.514	72%	0.72	S	S	.	*				63.7	92.9	102.2	-64.6	-167.7	-97.2	0	0	110
1601	E	23.6	Very low	25.6	Very low	163 Å²	163	148 Å²	148	76%	0.762	72%	0.724	S	S	*	*				106.4	145.8	101.5	-81.1	142.7	-145.3	0	0	108.2
1602	S	24	Very low	25.5	Very low	100 Å²	100	146.2 Å²	146.2	70%	0.699	73%	0.725	S	S	*	*			cis	-147.9	172.4	4.5	55.8	0	0	0	0	111.6
1603	M	25.2	Very low	25.5	Very low	155 Å²	155	149.8 Å²	149.8	76%	0.764	75%	0.746	S	S	*	*			trans	61.8	128	153.6	-75.9	177.7	161.3	0	0	119.9
1604	E	24.6	Very low	25.1	Very low	157 Å²	157	152.9 Å²	152.9	73%	0.734	76%	0.757	S	S	*	*				86.8	145.3	56.4	-81.3	-176.6	-172	0	0	113.7
1605	T	25.1	Very low	25.3	Very low	95 Å²	95	149.2 Å²	149.2	58%	0.583	76%	0.756	S	S	*	*			cis	-156.3	169.6	-29.3	-10.1	0	0	0	0	110.1
1606	Q	26.5	Very low	25.2	Very low	170 Å²	170	151.1 Å²	151.1	79%	0.794	76%	0.759	S	S	*	*			trans	63.3	174.9	150	-70.7	163.5	38.2	0	0	117.3
1607	S	23	Very low	25.2	Very low	93 Å²	93	152.7 Å²	152.7	65%	0.65	76%	0.758	S	S	*	*			cis	-154.3	-179.2	-47.5	63.4	0	0	0	0	110.4
1608	Y	24	Very low	25.1	Very low	192 Å²	192	152.1 Å²	152.1	75%	0.753	76%	0.755	S	S	*	*			trans	-27.9	143.9	179.5	-56.9	-85.9	0	0	0	119.5
1609	Q	27.3	Very low	25.3	Very low	193 Å²	193	151 Å²	151	90%	0.902	76%	0.755	S	S	*	*				-172.9	-177.7	102.6	-100.9	-176.9	-5	0	0	113.9
1610	Y	23.4	Very low	25.6	Very low	210 Å²	210	149.7 Å²	149.7	82%	0.824	76%	0.756	S	S	*	*			trans	-88.8	170.7	-165.9	-98.7	-120.2	0	0	0	114.8
1611	N	23.8	Very low	25.8	Very low	133 Å²	133	156.2 Å²	156.2	71%	0.711	78%	0.775	S	S	*	*			trans	42.2	122.8	152.3	-58.9	-11.5	0	0	0	118.7
1612	T	25.9	Very low	26.3	Very low	142 Å²	142	159.5 Å²	159.5	87%	0.871	78%	0.783	S	S	*	*				-171.2	172.5	72.6	32.8	0	0	0	0	112
1613	V	25.3	Very low	26.8	Very low	137 Å²	137	163.9 Å²	163.9	83%	0.83	78%	0.784	S	S	*	*			trans	-99.4	131.6	179.4	174.7	0	0	0	0	111.8
1614	K	26	Very low	26.9	Very low	200 Å²	200	168.6 Å²	168.6	87%	0.87	79%	0.793	S	S	*	*			trans	-168.5	164.3	143.7	-104.8	155.3	-175.4	179.4	0	111.9
1615	P	26.9	Very low	27	Very low	102 Å²	102	165.3 Å²	165.3	66%	0.662	79%	0.793	S	S	*	*			trans	-110.2	-175.2	-151.7	42.1	-38.7	0	0	0	117
1616	N	24.8	Very low	27	Very low	141 Å²	141	164.3 Å²	164.3	75%	0.754	79%	0.794	S	S	*	*			trans	77.7	101.3	158	-60.4	-26.3	0	0	0	120.4
1617	K	25.9	Very low	27.1	Very low	209 Å²	209	164.1 Å²	164.1	91%	0.909	80%	0.799	S	S	*	*				175	152.1	116.7	-91.3	153.5	-174.1	172.1	0	112.6
1618	L	26.8	Very low	27.3	Very low	137 Å²	137	164.5 Å²	164.5	72%	0.717	81%	0.807	S	S	*	*			trans	-92.3	140.7	-173.4	-85.4	160.8	0	0	0	114.2
1619	P	30.1	Very low	27.3	Very low	113 Å²	113	158.8 Å²	158.8	73%	0.734	79%	0.793	S	S	*	*			trans	-63.1	140.8	165.9	-23.6	35.3	0	0	0	113.6	R1621	P1619-R1621 PolarHBondContact O-N 3.3Å
1620	K	30.3	Very low	27.2	Very low	191 Å²	191	156.3 Å²	156.3	83%	0.83	79%	0.785	S	S	*	*	G	3₁₀ helix	trans	-70.7	-14.2	-155.6	-76.4	-178.7	174.4	177.2	0	118.6
1621	R	30.3	Very low	27.5	Very low	247 Å²	247	153.4 Å²	153.4	93%	0.932	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-86.6	-4.5	-164.9	-136.9	-178.8	-167.8	-169.5	4.3	117.3	P1619	P1619-R1621 PolarHBondContact O-N 3.3Å
1622	Y	32.7	Very low	27.6	Very low	233 Å²	233	153.1 Å²	153.1	91%	0.914	79%	0.793	S	S	*	*	G	3₁₀ helix	trans	-105.3	24.8	176.6	-88.4	-82.7	0	0	0	113.4
1623	R	34	Very low	27.8	Very low	191 Å²	191	151.7 Å²	151.7	72%	0.721	79%	0.786	S	S	*	*			trans	-108	28	-165.4	-134.3	177.5	-166.4	-167.3	1.4	115.9
1624	R	27.4	Very low	27.8	Very low	255 Å²	255	155.8 Å²	155.8	96%	0.962	79%	0.787	S	S	*	*			trans	-142.9	85.8	166.8	-73.4	-166.8	-179.7	-174.2	0.1	110.6
1625	A	27.6	Very low	27.8	Very low	87 Å²	87	155.8 Å²	155.8	72%	0.719	78%	0.781	S	S	*	*			trans	-128.1	146.3	157.1	0	0	0	0	0	106.5
1626	A	25.1	Very low	27.8	Very low	75 Å²	75	158 Å²	158	62%	0.62	78%	0.783	S	S	*	*	S	Bend	trans	58.1	109.7	-172.8	0	0	0	0	0	115.7
1627	N	27.7	Very low	28	Very low	166 Å²	166	160.8 Å²	160.8	89%	0.888	78%	0.783	S	S	*	*			trans	177	148.7	142	-96.9	-0.4	0	0	0	110.2
1628	A	27.1	Very low	28.4	Very low	101 Å²	101	159.4 Å²	159.4	84%	0.835	78%	0.779	S	S	*	*			trans	63.7	108.7	169.7	0	0	0	0	0	117.7
1629	T	25	Very low	28.4	Very low	72 Å²	72	156.1 Å²	156.1	44%	0.442	77%	0.772	S	S	.	*			trans	-74.8	179.8	159.3	40.8	0	0	0	0	112.3	E1481	E1481-T1629 VanDerWaalsContact CD-CG2 3.46Å; E1481-T1629 HydrophobicContact CG-CG2 3.71Å; E1481-T1629 WeakPolarHBondContact OE1-CB 3.43Å; E1481-T1629 WeakPolarHBondContact OE1-CG2 3.46Å; E1481-T1629 PolarHBondContact OE1-OG1 2.87Å
1630	N	25.3	Very low	28.2	Very low	140 Å²	140	156.2 Å²	156.2	75%	0.749	78%	0.775	S	S	*	*			trans	52.9	102	157.5	-60.3	-20.9	0	0	0	118.5
1631	T	29.8	Very low	28.2	Very low	149 Å²	149	151.6 Å²	151.6	91%	0.914	77%	0.773	S	S	*	*				-170	163.9	124.9	16	0	0	0	0	114.2
1632	T	25.8	Very low	28.1	Very low	127 Å²	127	144.9 Å²	144.9	78%	0.779	76%	0.764	S	S	*	*			trans	-77.8	169.9	-168.9	28.6	0	0	0	0	115.8
1633	P	30	Very low	28	Very low	113 Å²	113	145 Å²	145	73%	0.734	76%	0.762	S	S	*	*			trans	-85.3	178.5	-173.5	35.7	-38.9	0	0	0	115
1634	R	24.3	Very low	27.4	Very low	223 Å²	223	140.9 Å²	140.9	84%	0.842	77%	0.769	S	S	*	*			trans	89.7	152.2	-170.8	-62	171.2	163.9	176.5	-4.4	112.2
1635	R	26.5	Very low	27.7	Very low	199 Å²	199	133 Å²	133	75%	0.751	76%	0.758	S	S	*	*			cis	-142.5	134.7	7.9	-118.6	145	172.7	-178.6	-1	107.3
1636	Q	28.2	Very low	27.8	Very low	150 Å²	150	135.1 Å²	135.1	70%	0.701	76%	0.762	S	S	*	*				80.7	141.5	78.1	-164.4	-170.7	34	0	0	114.4
1637	R	28.8	Very low	28.1	Very low	198 Å²	198	137.7 Å²	137.7	75%	0.747	77%	0.77	S	S	*	*			trans	107.2	135.6	169.5	-64.4	176.1	-178.1	-158.2	0.1	113.3
1638	H	34.1	Very low	28.3	Very low	180 Å²	180	139.9 Å²	139.9	83%	0.833	77%	0.766	S	S	*	*			cis	-153.7	161.9	0.8	-99	-46	0	0	0	108.9
1639	A	26.9	Very low	28.4	Very low	68 Å²	68	142.2 Å²	142.2	56%	0.562	77%	0.765	S	S	*	*			cis	-160.8	160.7	-10.9	0	0	0	0	0	113.1
1640	S	25.5	Very low	28.6	Very low	116 Å²	116	142.8 Å²	142.8	81%	0.811	78%	0.784	S	S	*	*			trans	53	94.9	144.4	57.7	0	0	0	0	122.9
1641	A	30.8	Very low	28.8	Very low	93 Å²	93	140.6 Å²	140.6	77%	0.769	79%	0.786	S	S	*	*			trans	-171.9	115.5	130.5	0	0	0	0	0	107.6
1642	S	28.2	Very low	28.6	Very low	107 Å²	107	138.3 Å²	138.3	75%	0.748	78%	0.776	S	S	*	*				67.5	127.2	74.7	-67.2	0	0	0	0	113.9
1643	R	29.1	Very low	28.6	Very low	235 Å²	235	140.7 Å²	140.7	89%	0.887	78%	0.776	S	S	*	*			cis	-162.6	149.4	-7	-123.3	176.1	-170.5	172.7	2.3	109.3
1644	A	22.4	Very low	28.4	Very low	105 Å²	105	142.7 Å²	142.7	87%	0.868	77%	0.773	S	S	*	*			trans	-124.9	147.4	156.2	0	0	0	0	0	107.8
1645	A	33.3	Very low	28.4	Very low	88 Å²	88	137.9 Å²	137.9	73%	0.727	76%	0.764	S	S	*	*			trans	-158.4	152.9	-162.5	0	0	0	0	0	109.7
1646	V	29.4	Very low	28.2	Very low	133 Å²	133	136.2 Å²	136.2	81%	0.806	76%	0.762	S	S	*	*			cis	-159.7	-169.5	-2.6	94.5	0	0	0	0	109.4
1647	V	32.5	Very low	28	Very low	129 Å²	129	136.4 Å²	136.4	78%	0.782	76%	0.763	S	S	*	*			trans	83.2	136.8	172.1	-169.6	0	0	0	0	115.5
1648	R	30.5	Very low	27.7	Very low	211 Å²	211	131.8 Å²	131.8	80%	0.796	76%	0.761	S	S	*	*			cis	-172.4	159.6	-37.3	-125.3	-176.6	177.9	163.2	-2.6	110.3
1649	N	29.8	Very low	27.2	Very low	151 Å²	151	129.6 Å²	129.6	81%	0.807	76%	0.761	S	S	*	*			trans	65.5	156.2	154.5	-59.9	2.5	0	0	0	120.3
1650	G	30.2	Very low	27.3	Very low	83 Å²	83	131.3 Å²	131.3	86%	0.856	77%	0.766	S	S	*	*			trans	128.1	111.9	168.4	0	0	0	0	0	113.6
1651	A	28.2	Very low	27.2	Very low	95 Å²	95	133.2 Å²	133.2	79%	0.785	77%	0.766	S	S	*	*			trans	-101.5	163.8	-167.7	0	0	0	0	0	115.6
1652	S	25.2	Very low	26.9	Very low	100 Å²	100	138.7 Å²	138.7	70%	0.699	77%	0.772	S	S	*	*			trans	73.5	116.6	140	61.9	0	0	0	0	123.4
1653	F	26.1	Very low	26.7	Very low	177 Å²	177	137.2 Å²	137.2	78%	0.776	77%	0.767	S	S	*	*				87.1	113	123.3	-87.6	-129.1	0	0	0	122.9
1654	K	25.3	Very low	26.5	Very low	155 Å²	155	133.5 Å²	133.5	67%	0.674	76%	0.764	S	S	*	*				70.3	120	126.3	-75.5	-165.6	-178.2	179.1	0	122
1655	N	25	Very low	26.6	Very low	123 Å²	123	132.3 Å²	132.3	66%	0.658	75%	0.749	S	S	*	*				100.8	121.7	119.7	-77.8	18	0	0	0	121.5
1656	F	23.5	Very low	26.2	Very low	164 Å²	164	140.4 Å²	140.4	72%	0.719	76%	0.761	S	S	*	*			trans	77.3	138.4	136.1	-86.2	-112.9	0	0	0	122.1
1657	Q	23.2	Very low	26	Very low	154 Å²	154	137.1 Å²	137.1	72%	0.72	76%	0.755	S	S	*	*			trans	63.5	105.9	147.3	-83.7	164.4	-25.6	0	0	121.1
1658	S	22.8	Very low	25.6	Very low	101 Å²	101	138.8 Å²	138.8	71%	0.706	76%	0.758	S	S	*	*				39.3	109.2	124.3	59.1	0	0	0	0	119.3
1659	T	23.7	Very low	25.4	Very low	134 Å²	134	134.2 Å²	134.2	82%	0.822	75%	0.754	S	S	*	*			trans	-158.2	133.8	145.6	-1.6	0	0	0	0	111.4
1660	P	27.9	Very low	25.3	Very low	104 Å²	104	135.1 Å²	135.1	68%	0.675	75%	0.754	S	S	*	*			trans	-81.8	-167.2	151.6	35.5	-30.9	0	0	0	109.8
1661	I	23.9	Very low	25.2	Very low	155 Å²	155	137.2 Å²	137.2	80%	0.795	75%	0.749	S	S	*	*			trans	73.3	105.4	168.3	-51.3	154.7	0	0	0	115.6
1662	K	26	Very low	25	Very low	208 Å²	208	143.5 Å²	143.5	90%	0.904	75%	0.753	S	S	*	*				-157.2	100.7	128.6	-113.1	170.9	-175.3	178	0	110.7
1663	A	23.7	Very low	25.1	Very low	77 Å²	77	145.7 Å²	145.7	64%	0.636	75%	0.751	S	S	*	*			trans	-84.6	-176	147	0	0	0	0	0	108.3
1664	N	24	Very low	25.2	Very low	156 Å²	156	144.3 Å²	144.3	83%	0.834	75%	0.747	S	S	*	*			trans	71.5	147.9	168.7	-63.2	0.5	0	0	0	115.5
1665	S	24.1	Very low	25.1	Very low	80 Å²	80	140.7 Å²	140.7	56%	0.559	74%	0.742	S	S	*	*			cis	-175.7	-174.5	-11.9	49.4	0	0	0	0	111.6
1666	W	24.6	Very low	25.2	Very low	258 Å²	258	142.3 Å²	142.3	98%	0.977	75%	0.746	S	S	*	*			trans	83.6	142.8	157.7	-57.3	-11.5	0	0	0	117.9
1667	G	26.1	Very low	25.2	Very low	65 Å²	65	141.8 Å²	141.8	67%	0.67	75%	0.745	S	S	*	*			trans	170.6	-2.2	-178.1	0	0	0	0	0	120.2
1668	L	24.3	Very low	25.3	Very low	163 Å²	163	141.6 Å²	141.6	85%	0.853	75%	0.749	S	S	*	*			trans	64.7	161	-178.2	-65	88.2	0	0	0	114
1669	T	26.4	Very low	25.4	Very low	115 Å²	115	142.6 Å²	142.6	71%	0.706	75%	0.751	S	S	*	*			cis	-139.3	176.1	16.3	-27.9	0	0	0	0	112.3
1670	Q	26.4	Very low	25.5	Very low	171 Å²	171	143.6 Å²	143.6	80%	0.799	75%	0.751	S	S	*	*			trans	-55.4	169.4	174.7	-63.2	144.8	-52.7	0	0	113.3
1671	V	28	Very low	25.5	Very low	126 Å²	126	145.7 Å²	145.7	76%	0.764	76%	0.756	S	S	*	*			cis	-136.5	144	25	177.8	0	0	0	0	112.4
1672	R	24.5	Very low	25.5	Very low	227 Å²	227	144.5 Å²	144.5	86%	0.857	75%	0.751	S	S	*	*			trans	-126.4	114	159.6	-174.7	-176.2	-164.2	-173.8	7.1	106.9
1673	H	27.2	Very low	25.5	Very low	146 Å²	146	141.2 Å²	141.2	68%	0.676	74%	0.743	S	S	*	*			trans	-78.7	166.1	161.1	-114	-88.3	0	0	0	109.7
1674	Q	28.5	Very low	25.6	Very low	148 Å²	148	148.6 Å²	148.6	69%	0.692	76%	0.755	S	S	*	*			trans	-50.6	141.2	-168.6	-65.1	99.2	-20.7	0	0	113.3
1675	S	23.7	Very low	25.7	Very low	80 Å²	80	148.3 Å²	148.3	56%	0.559	75%	0.753	S	S	*	*			cis	78.6	144.5	31.8	84.9	0	0	0	0	115.3
1676	Q	25.8	Very low	25.9	Very low	157 Å²	157	152.1 Å²	152.1	73%	0.734	77%	0.766	S	S	*	*			trans	82.8	111.9	-179.7	-49.8	-155.1	-95.4	0	0	113.5
1677	E	23.7	Very low	26	Very low	153 Å²	153	145.8 Å²	145.8	72%	0.715	75%	0.751	S	S	*	*				76.1	100.4	63	-68.4	168.3	144.4	0	0	112.1
1678	N	25.2	Very low	26	Very low	149 Å²	149	150.9 Å²	150.9	80%	0.797	76%	0.755	S	S	*	*			trans	-175.8	116.1	138.9	-93.7	-36.6	0	0	0	107.8
1679	V	25.9	Very low	26.3	Very low	123 Å²	123	150 Å²	150	75%	0.745	75%	0.746	S	S	*	*				86	126.9	89.7	163.3	0	0	0	0	112.3
1680	N	26.5	Very low	26.3	Very low	154 Å²	154	150.2 Å²	150.2	82%	0.824	74%	0.739	S	S	*	*			trans	-58.5	132.7	170.3	-68.1	-40.7	0	0	0	110.4
1681	L	26.3	Very low	26.3	Very low	149 Å²	149	153.1 Å²	153.1	78%	0.78	74%	0.743	S	S	*	*			trans	-174.6	129.3	142.7	-103.1	158.6	0	0	0	113.5
1682	N	24.7	Very low	26.2	Very low	129 Å²	129	155 Å²	155	69%	0.69	74%	0.736	S	S	*	*			trans	12.9	138	145.5	-59.8	-12	0	0	0	122.4
1683	N	24.9	Very low	26.3	Very low	139 Å²	139	153.5 Å²	153.5	74%	0.743	73%	0.73	S	S	*	*			trans	61.1	103.5	137	-62.6	-16.8	0	0	0	120.7
1684	R	27	Very low	26.3	Very low	233 Å²	233	153.6 Å²	153.6	88%	0.879	74%	0.735	S	S	*	*				177.2	124.4	113.3	-88.3	146.2	-170.8	-165.6	1.6	107.6
1685	N	25.6	Very low	26	Very low	150 Å²	150	153.5 Å²	153.5	80%	0.802	74%	0.74	S	S	*	*				69.6	149.5	70.7	-83.2	11.5	0	0	0	114
1686	I	28.3	Very low	26.4	Very low	160 Å²	160	154.9 Å²	154.9	82%	0.821	75%	0.746	S	S	*	*			trans	80.9	125.1	-179.2	-49.5	167.1	0	0	0	113.8
1687	D	27.1	Very low	26.2	Very low	125 Å²	125	154.3 Å²	154.3	67%	0.668	75%	0.748	S	S	*	*			cis	-161.1	-177	-37.3	-131.9	-57	0	0	0	110.7
1688	F	25	Very low	26.2	Very low	171 Å²	171	155.2 Å²	155.2	75%	0.75	75%	0.749	S	S	*	*			trans	70.8	129	171.4	-55.5	-65.4	0	0	0	116.7
1689	H	30.5	Very low	26.1	Very low	145 Å²	145	158.5 Å²	158.5	67%	0.671	75%	0.751	S	S	*	*			cis	-131.3	136.8	-9.6	-116.7	-73.8	0	0	0	110.8
1690	E	27.7	Very low	26.1	Very low	119 Å²	119	158.7 Å²	158.7	56%	0.556	75%	0.747	S	S	*	*			trans	17	110.3	141.7	-66.9	-162.6	115	0	0	117.7	R1692	E1690-R1692 IonicContact OE1-CZ 3.31Å; E1690-R1692 VanDerWaalsContact OE1-CZ 3.23Å; E1690-R1692 IonicContact OE1-NE 3.06Å; E1690-R1692 PolarHBondContact OE1-NE 3.5Å; E1690-R1692 IonicContact OE1-NH2 3.11Å; E1690-R1692 PolarHBondContact OE1-NH2 2.91Å
1691	R	25.9	Very low	25.9	Very low	232 Å²	232	159.6 Å²	159.6	88%	0.875	74%	0.74	S	S	*	*				37.3	124.1	61.7	-59.4	179.7	170.4	179.8	-1.7	113.4
1692	R	26.4	Very low	25.8	Very low	166 Å²	166	160.1 Å²	160.1	63%	0.626	74%	0.739	S	S	*	*				179	121.8	107.7	-94.7	168.1	-147.9	-139	6	113	E1690	E1690-R1692 IonicContact OE1-CZ 3.31Å; E1690-R1692 VanDerWaalsContact OE1-CZ 3.23Å; E1690-R1692 IonicContact OE1-NE 3.06Å; E1690-R1692 PolarHBondContact OE1-NE 3.5Å; E1690-R1692 IonicContact OE1-NH2 3.11Å; E1690-R1692 PolarHBondContact OE1-NH2 2.91Å
1693	R	26.2	Very low	25.7	Very low	195 Å²	195	158 Å²	158	74%	0.736	73%	0.728	S	S	*	*				72.5	150.3	129.4	-62.2	177.5	-178.2	173.4	-0.1	117.8
1694	L	26.7	Very low	25.6	Very low	149 Å²	149	158 Å²	158	78%	0.78	73%	0.726	S	S	*	*			cis	-147.2	161.6	-5.5	-122.7	165.8	0	0	0	112.6
1695	N	23.1	Very low	25.4	Very low	146 Å²	146	153.5 Å²	153.5	78%	0.781	72%	0.718	S	S	*	*			trans	-60.9	166.6	179.4	-99.2	-15.2	0	0	0	115
1696	P	31.2	Very low	25.3	Very low	108 Å²	108	153.1 Å²	153.1	70%	0.701	71%	0.714	S	S	*	*			trans	-79	174.8	-175.2	35.6	-39.8	0	0	0	113
1697	L	22.9	Very low	24.9	Very low	146 Å²	146	153.5 Å²	153.5	76%	0.764	71%	0.713	S	S	*	*			trans	-172.3	141.8	136.7	-100.4	162.7	0	0	0	112.2
1698	K	22.6	Very low	24.7	Very low	172 Å²	172	152.2 Å²	152.2	75%	0.748	72%	0.72	S	S	*	*			trans	16	126.5	151.6	-57	168.5	-172.7	174.9	0	119.1
1699	R	24.7	Very low	24.6	Very low	218 Å²	218	150.7 Å²	150.7	82%	0.823	72%	0.715	S	S	*	*				177.8	147.3	100.8	-101.3	145.1	173.4	172	-5	115.1
1700	N	24.4	Very low	24.1	Very low	126 Å²	126	151.6 Å²	151.6	67%	0.674	72%	0.723	S	S	*	*			trans	49.7	121	136.7	-60.8	16	0	0	0	122.1
1701	Y	23	Very low	24	Very low	173 Å²	173	153.3 Å²	153.3	68%	0.678	73%	0.729	S	S	*	*				55	163.1	116.8	-74.9	-73.2	0	0	0	123.6	E1364	E1364-Y1701 VanDerWaalsContact OE2-CE1 3.27Å; E1364-Y1701 WeakPolarHBondContact OE2-CE1 3.45Å; E1364-Y1701 PolarHBondContact OE2-OH 2.85Å; E1364-Y1701 VanDerWaalsContact OE2-OH 3.08Å
1702	E	24.6	Very low	23.9	Very low	161 Å²	161	146.8 Å²	146.8	75%	0.752	72%	0.724	S	S	*	*			trans	78.3	121.4	160.4	-77.3	143.8	-128.4	0	0	118.4
1703	N	21.3	Very low	23.9	Very low	85 Å²	85	144 Å²	144	46%	0.455	73%	0.728	S	S	.	*			trans	-69.9	144.2	160.6	-24	-92.4	0	0	0	108.3	S1362	S1362-N1703 PolarHBondContact OG-ND2 2.9Å
1704	I	23.1	Very low	23.8	Very low	138 Å²	138	142.2 Å²	142.2	71%	0.708	73%	0.732	S	S	*	*			trans	-140.3	134.2	150.2	-90.5	116.6	0	0	0	108.1	I1706	I1704-I1706 HydrophobicContact CG2-CD1 3.94Å; I1704-I1706 HydrophobicContact CG2-CG1 3.74Å
1705	I	22.8	Very low	23.5	Very low	139 Å²	139	144.2 Å²	144.2	71%	0.713	74%	0.735	S	S	*	*			trans	-107.8	117.1	174.5	-60.9	168.7	0	0	0	107.5
1706	I	23.6	Very low	23.5	Very low	141 Å²	141	145.9 Å²	145.9	72%	0.723	74%	0.735	S	S	*	*			trans	-145.4	110.9	163.8	-43.6	177.2	0	0	0	103.8	I1704	I1704-I1706 HydrophobicContact CG2-CD1 3.94Å; I1704-I1706 HydrophobicContact CG2-CG1 3.74Å
1707	E	20.4	Very low	23.2	Very low	168 Å²	168	149.1 Å²	149.1	79%	0.785	74%	0.738	S	S	*	*				67.4	153.9	59.7	-63.5	-149.9	144	0	0	114.4
1708	A	22.6	Very low	23.2	Very low	98 Å²	98	145.5 Å²	145.5	81%	0.81	73%	0.725	S	S	*	*			trans	63.1	151.8	-170.8	0	0	0	0	0	115.6
1709	E	22.2	Very low	23.5	Very low	139 Å²	139	145.2 Å²	145.2	65%	0.65	73%	0.726	S	S	*	*			cis	-145.3	151.5	2.9	-146.9	-176.7	164.9	0	0	112.1	K1711	E1709-K1711 PolarHBondContact O-N 2.71Å; E1709-K1711 IonicContact OE1-NZ 2.61Å; E1709-K1711 PolarHBondContact OE1-NZ 3.19Å; E1709-K1711 WeakPolarHBondContact OE2-CE 3.27Å; E1709-K1711 IonicContact OE2-NZ 2.87Å; E1709-K1711 PolarHBondContact OE2-NZ 3.29Å
1710	I	21.9	Very low	23.5	Very low	165 Å²	165	142 Å²	142	85%	0.846	73%	0.725	S	S	*	*			trans	-82.2	109.6	170.4	-60.7	170	0	0	0	108.7
1711	K	24.3	Very low	23.4	Very low	155 Å²	155	141.9 Å²	141.9	67%	0.674	73%	0.729	S	S	*	*			trans	-132.4	96.1	168.8	-77.9	-173.4	168.7	129.6	0	112.5	E1709	E1709-K1711 PolarHBondContact O-N 2.71Å; E1709-K1711 IonicContact OE1-NZ 2.61Å; E1709-K1711 PolarHBondContact OE1-NZ 3.19Å; E1709-K1711 WeakPolarHBondContact OE2-CE 3.27Å; E1709-K1711 IonicContact OE2-NZ 2.87Å; E1709-K1711 PolarHBondContact OE2-NZ 3.29Å
1712	A	24.8	Very low	23.6	Very low	94 Å²	94	140 Å²	140	78%	0.777	74%	0.735	S	S	*	*			trans	-94	129.6	159.6	0	0	0	0	0	109.8
1713	P	25	Very low	23.5	Very low	108 Å²	108	138.8 Å²	138.8	70%	0.701	73%	0.734	S	S	*	*			trans	-108.2	115.5	152.5	1.7	19.7	0	0	0	108.5
1714	L	24.4	Very low	23.7	Very low	158 Å²	158	141 Å²	141	83%	0.827	74%	0.744	S	S	*	*				85	113.1	88	-77.4	169.7	0	0	0	114.1
1715	F	21.5	Very low	23.6	Very low	191 Å²	191	140.1 Å²	140.1	84%	0.838	75%	0.75	S	S	*	*			trans	-18.2	152.4	147.8	-68.6	-101.8	0	0	0	116.7
1716	K	22.7	Very low	23.6	Very low	180 Å²	180	137.9 Å²	137.9	78%	0.783	75%	0.747	S	S	*	*				-173.9	131.3	99.9	-96.4	-171	-178.8	179.2	0	114.5
1717	F	24.1	Very low	23.6	Very low	177 Å²	177	141.8 Å²	141.8	78%	0.776	75%	0.753	S	S	*	*			trans	68.2	153.3	137.3	-78.7	-126.9	0	0	0	118.9
1718	S	24.1	Very low	23.8	Very low	70 Å²	70	142.9 Å²	142.9	49%	0.49	76%	0.755	S	S	.	*			cis	-165	176.4	-18	42.8	0	0	0	0	111.3
1719	H	27.2	Very low	23.8	Very low	166 Å²	166	143.3 Å²	143.3	77%	0.769	75%	0.751	S	S	*	*			trans	76.9	136.2	172.4	-45.8	-70.9	0	0	0	115.8
1720	L	26.3	Very low	24	Very low	151 Å²	151	146 Å²	146	79%	0.791	76%	0.764	S	S	*	*			cis	-143.5	128.1	-1.5	-126.3	163.5	0	0	0	111
1721	T	22.2	Very low	24.2	Very low	123 Å²	123	144.1 Å²	144.1	76%	0.755	76%	0.759	S	S	*	*			trans	-91.4	133.6	176.2	46.8	0	0	0	0	111.7
1722	T	25.7	Very low	24.3	Very low	134 Å²	134	142.1 Å²	142.1	82%	0.822	76%	0.762	S	S	*	*			trans	173.2	159.9	147.4	34.4	0	0	0	0	109.9
1723	N	23.4	Very low	24.4	Very low	134 Å²	134	146.1 Å²	146.1	72%	0.717	77%	0.765	S	S	*	*			cis	-171.6	172.3	-37.3	-160	-6.6	0	0	0	106.4
1724	I	24.7	Very low	24.5	Very low	132 Å²	132	149.1 Å²	149.1	68%	0.677	77%	0.769	S	S	*	*			trans	64.6	116.2	163.5	-53.9	150.9	0	0	0	114.2
1725	S	21.1	Very low	24.8	Very low	120 Å²	120	148.6 Å²	148.6	84%	0.839	76%	0.762	S	S	*	*			cis	64.5	73.8	22.3	-159.4	0	0	0	0	116.2
1726	S	24.3	Very low	25	Very low	91 Å²	91	145.1 Å²	145.1	64%	0.636	75%	0.753	S	S	*	*			trans	-178.4	166	142.1	55.9	0	0	0	0	113.5
1727	R	23.5	Very low	25	Very low	224 Å²	224	144.2 Å²	144.2	85%	0.845	76%	0.755	S	S	*	*			trans	71.7	105.2	167.5	-52.2	-179	-171.4	-161.5	-1.9	115.6
1728	F	22.9	Very low	25	Very low	191 Å²	191	140.9 Å²	140.9	84%	0.838	75%	0.749	S	S	*	*				86.5	119.5	54.6	-84.2	-115.2	0	0	0	115.1
1729	C	23.9	Very low	25	Very low	106 Å²	106	148.7 Å²	148.7	72%	0.716	77%	0.767	S	S	*	*			trans	45.9	121.9	141.3	-55.8	0	0	0	0	121.1
1730	Q	26.5	Very low	24.6	Very low	197 Å²	197	150.7 Å²	150.7	92%	0.921	77%	0.77	S	S	*	*				-165	161.4	96.1	-100.5	167.5	-7.1	0	0	112
1731	V	25.1	Very low	24.4	Very low	124 Å²	124	148.7 Å²	148.7	75%	0.752	77%	0.767	S	S	*	*			trans	-139.1	141	-176.5	-169.5	0	0	0	0	107.4
1732	P	27.2	Very low	24.3	Very low	114 Å²	114	150.4 Å²	150.4	74%	0.74	77%	0.771	S	S	*	*				-126.7	154.6	111.2	4.7	18	0	0	0	110.5
1733	E	25.7	Very low	24	Very low	177 Å²	177	154.3 Å²	154.3	83%	0.827	77%	0.772	S	S	*	*				64.3	145.2	53	-58.5	-174.3	155.8	0	0	113.7
1734	E	28.2	Very low	24	Very low	171 Å²	171	152.5 Å²	152.5	80%	0.799	77%	0.77	S	S	*	*			cis	-82.2	-156.1	-7.9	-64.5	-165.3	65.5	0	0	111.5
1735	H	29.8	Very low	23.8	Very low	147 Å²	147	153.3 Å²	153.3	68%	0.681	78%	0.776	S	S	*	*			cis	-150.5	169.9	-2.3	-165.8	71.8	0	0	0	110.1
1736	N	26.1	Very low	23.9	Very low	119 Å²	119	155.3 Å²	155.3	64%	0.636	78%	0.777	S	S	*	*			trans	-143.5	137	-173.1	-88.5	-66.4	0	0	0	115.7
1737	I	23.9	Very low	23.9	Very low	160 Å²	160	156.1 Å²	156.1	82%	0.821	78%	0.782	S	S	*	*			trans	-130.5	84.9	141	-55.8	-177.8	0	0	0	108
1738	V	23.9	Very low	24.1	Very low	108 Å²	108	150.1 Å²	150.1	66%	0.655	78%	0.775	S	S	*	*			trans	-129.6	123.7	174.1	179.1	0	0	0	0	107.9
1739	R	23.2	Very low	24.1	Very low	233 Å²	233	150.7 Å²	150.7	88%	0.879	78%	0.777	S	S	*	*			trans	-106.5	83.2	-173.2	-77.6	-174.8	172	169.4	-2.1	113.3
1740	Y	19.8	Very low	24.3	Very low	208 Å²	208	150.2 Å²	150.2	82%	0.816	78%	0.775	S	S	*	*			trans	53.7	147.6	141.4	-72.7	-79.9	0	0	0	122.9
1741	C	21.9	Very low	24.1	Very low	110 Å²	110	145.5 Å²	145.5	74%	0.743	76%	0.76	S	S	*	*			trans	-63.2	-179.3	157.5	-45.4	0	0	0	0	111
1742	L	19.7	Very low	24.2	Very low	159 Å²	159	146.3 Å²	146.3	83%	0.832	76%	0.76	S	S	*	*				-170.9	160.2	84.3	-97.3	169.9	0	0	0	112.9
1743	Y	20.4	Very low	24.2	Very low	216 Å²	216	147.2 Å²	147.2	85%	0.847	76%	0.759	S	S	*	*			trans	-70.2	146	155.2	-100	-93.2	0	0	0	110.6
1744	S	22	Very low	24.1	Very low	95 Å²	95	143.9 Å²	143.9	66%	0.664	75%	0.75	S	S	*	*			trans	81.7	150	152.6	86	0	0	0	0	120.6
1745	N	21.4	Very low	24	Very low	150 Å²	150	141.2 Å²	141.2	80%	0.802	75%	0.746	S	S	*	*			trans	51.1	118.8	143.2	-59.6	-18.4	0	0	0	121.6
1746	N	23	Very low	23.8	Very low	161 Å²	161	138.2 Å²	138.2	86%	0.861	75%	0.747	S	S	*	*			trans	-31.9	143.9	158.9	-42.5	-7.8	0	0	0	116.1
1747	S	24.7	Very low	23.8	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	75%	0.753	S	S	*	*				-172.9	149.4	125.5	30.7	0	0	0	0	112.5
1748	S	26.3	Very low	23.9	Very low	98 Å²	98	136.8 Å²	136.8	69%	0.685	74%	0.74	S	S	*	*			trans	42.2	120	159.4	40.6	0	0	0	0	120.4
1749	F	24	Very low	24	Very low	204 Å²	204	137.4 Å²	137.4	90%	0.895	74%	0.736	S	S	*	*				66.4	143.3	75.6	-78.3	-68	0	0	0	113.3
1750	S	26.7	Very low	24.2	Very low	95 Å²	95	135 Å²	135	66%	0.664	73%	0.728	S	S	*	*			cis	-138.8	160.8	37	69.9	0	0	0	0	117.1
1751	T	24.3	Very low	24.5	Very low	99 Å²	99	130 Å²	130	61%	0.607	72%	0.72	S	S	*	*			trans	51.9	109.4	142.5	55.1	0	0	0	0	117.7
1752	D	26.8	Very low	24.5	Very low	140 Å²	140	131.7 Å²	131.7	75%	0.749	72%	0.72	S	S	*	*			cis	-156.6	-168.8	13.5	-110	-37.4	0	0	0	111.9
1753	D	26.6	Very low	24.7	Very low	134 Å²	134	133.9 Å²	133.9	72%	0.717	72%	0.718	S	S	*	*			cis	-157.1	173.6	29.9	-162.1	18.2	0	0	0	115.6
1754	V	24.2	Very low	24.9	Very low	107 Å²	107	132.4 Å²	132.4	65%	0.648	72%	0.716	S	S	*	*			trans	-25	133.8	161.2	164.2	0	0	0	0	115.9
1755	T	25.6	Very low	24.9	Very low	115 Å²	115	132.6 Å²	132.6	71%	0.706	72%	0.717	S	S	*	*			cis	-164.7	152.7	-12.6	30	0	0	0	0	110.3
1756	A	25.3	Very low	25	Very low	84 Å²	84	134.2 Å²	134.2	69%	0.694	72%	0.717	S	S	*	*			trans	55.1	139.4	146.1	0	0	0	0	0	119.6
1757	N	25.9	Very low	25	Very low	143 Å²	143	132.3 Å²	132.3	77%	0.765	71%	0.711	S	S	*	*			cis	-168.8	174	1	-117.1	-9.9	0	0	0	108.4
1758	N	26.9	Very low	25	Very low	105 Å²	105	134.4 Å²	134.4	56%	0.561	71%	0.713	S	S	*	*			cis	-149.4	-175.9	7.5	-152.8	10.2	0	0	0	114
1759	Q	25.5	Very low	24.8	Very low	122 Å²	122	134.2 Å²	134.2	57%	0.57	71%	0.712	S	S	*	*			trans	-49.6	163	167.3	-56	141.6	-6.2	0	0	115.9
1760	Y	26.6	Very low	24.7	Very low	182 Å²	182	135.4 Å²	135.4	71%	0.714	71%	0.71	S	S	*	*			cis	-149.6	137.6	36.7	-100.1	-77.9	0	0	0	116.5
1761	T	26	Very low	24.6	Very low	103 Å²	103	136.4 Å²	136.4	63%	0.632	72%	0.717	S	S	*	*			trans	39.4	127.7	144.3	49.6	0	0	0	0	122.3
1762	L	22.6	Very low	24.5	Very low	145 Å²	145	136.4 Å²	136.4	76%	0.759	72%	0.721	S	S	*	*				67.7	137.9	65.7	-67	158.4	0	0	0	113
1763	R	24.2	Very low	24.3	Very low	205 Å²	205	140 Å²	140	77%	0.774	73%	0.726	S	S	*	*			cis	-160.3	160	25.5	-122.5	159.4	-162	-176	6.2	112.4
1764	K	23.7	Very low	24.2	Very low	186 Å²	186	139.7 Å²	139.7	81%	0.809	73%	0.728	S	S	*	*			trans	25.2	146.1	137.2	-67.9	179.8	-176.8	-176.7	0	120.6
1765	S	23.1	Very low	24.3	Very low	98 Å²	98	142 Å²	142	69%	0.685	74%	0.736	S	S	*	*			cis	179.4	161.5	0.4	49.8	0	0	0	0	114
1766	K	23.6	Very low	24.1	Very low	185 Å²	185	141.8 Å²	141.8	80%	0.804	74%	0.74	S	S	*	*			trans	72.2	135	147.3	-83.2	-176.6	176.6	-176.7	0	121.5
1767	T	23	Very low	24	Very low	121 Å²	121	142 Å²	142	74%	0.742	74%	0.736	S	S	*	*			trans	77.2	140.5	141.8	45.7	0	0	0	0	122.9
1768	L	23.2	Very low	23.9	Very low	152 Å²	152	142.6 Å²	142.6	80%	0.796	74%	0.736	S	S	*	*			trans	71.4	87.4	151.4	-69.5	161.2	0	0	0	119.8
1769	S	22	Very low	23.7	Very low	94 Å²	94	144.1 Å²	144.1	66%	0.657	74%	0.744	S	S	*	*				44.4	145.8	113.6	70.3	0	0	0	0	122.2
1770	R	22.9	Very low	23.6	Very low	228 Å²	228	143.8 Å²	143.8	86%	0.86	75%	0.746	S	S	*	*			trans	84.9	88.3	166	-68.2	-177.5	160.7	156.1	-4.7	117.3
1771	S	25	Very low	23.6	Very low	116 Å²	116	140 Å²	140	81%	0.811	74%	0.738	S	S	*	*				-7.7	121.4	122.1	56.3	0	0	0	0	117.2
1772	S	21.7	Very low	23.4	Very low	99 Å²	99	141.5 Å²	141.5	69%	0.692	74%	0.736	S	S	*	*			trans	-167.9	112.2	142.4	57	0	0	0	0	114.2
1773	Y	23.6	Very low	23.5	Very low	216 Å²	216	140.8 Å²	140.8	85%	0.847	73%	0.728	S	S	*	*			trans	63.1	177	136.1	-79.9	-86.5	0	0	0	121.8
1774	V	23.1	Very low	23.4	Very low	127 Å²	127	141.2 Å²	141.2	77%	0.77	73%	0.73	S	S	*	*			trans	79.4	88.9	168.8	-166.7	0	0	0	0	113.3
1775	L	26	Very low	23.4	Very low	155 Å²	155	137.5 Å²	137.5	81%	0.812	72%	0.718	S	S	*	*				53.2	101.8	64	-71	167.4	0	0	0	114.8
1776	S	23	Very low	23.5	Very low	111 Å²	111	137.1 Å²	137.1	78%	0.776	71%	0.713	S	S	*	*			trans	-146.6	113.4	148.9	-111	0	0	0	0	106.9
1777	S	23.2	Very low	23.3	Very low	90 Å²	90	135 Å²	135	63%	0.629	71%	0.708	S	S	*	*				80.5	135.7	67.4	78.7	0	0	0	0	111.3
1778	M	22.3	Very low	23.2	Very low	154 Å²	154	138.2 Å²	138.2	76%	0.759	71%	0.712	S	S	*	*			cis	-159.9	149.9	36.4	-93.5	-161.4	169.9	0	0	113.2
1779	L	23.4	Very low	23.1	Very low	137 Å²	137	135.8 Å²	135.8	72%	0.717	71%	0.707	S	S	*	*			trans	56	151.6	139.8	-51.9	169.8	0	0	0	118.2
1780	N	24	Very low	23	Very low	116 Å²	116	136.6 Å²	136.6	62%	0.62	71%	0.713	S	S	*	*			cis	-166.5	-177.2	-4.8	-112.1	17.8	0	0	0	107.7
1781	D	25.6	Very low	22.9	Very low	103 Å²	103	134.7 Å²	134.7	55%	0.551	71%	0.712	S	S	*	*			cis	-156.8	165.3	3.5	-130	-21.8	0	0	0	113.8
1782	K	23	Very low	22.8	Very low	134 Å²	134	136.3 Å²	136.3	58%	0.583	71%	0.711	S	S	*	*			trans	32	125.1	144.6	-71.6	171.5	-166.5	76.3	0	125.7
1783	E	23.8	Very low	22.8	Very low	129 Å²	129	136.9 Å²	136.9	60%	0.603	72%	0.715	S	S	*	*				69.8	155.6	121.8	-60.5	171.8	-150.7	0	0	120.3
1784	R	23	Very low	22.7	Very low	215 Å²	215	134.4 Å²	134.4	81%	0.811	72%	0.715	S	S	*	*			cis	-154	164.8	7.1	-141.4	176.4	-96.3	-163.5	-7.7	112.2
1785	I	23.3	Very low	22.6	Very low	107 Å²	107	134.4 Å²	134.4	55%	0.549	72%	0.715	S	S	.	*			trans	-106.8	178.3	170.7	29.1	166.5	0	0	0	110.3
1786	P	24.3	Very low	22.5	Very low	91 Å²	91	138.3 Å²	138.3	59%	0.591	72%	0.719	S	S	*	*			cis	-151.1	-179.3	22.9	45.9	-25	0	0	0	120.7
1787	M	20.4	Very low	22.4	Very low	139 Å²	139	138.5 Å²	138.5	69%	0.685	72%	0.719	S	S	*	*			trans	69.8	143.2	139.3	-86.3	-177.5	-70	0	0	126.2
1788	F	21.2	Very low	22.4	Very low	190 Å²	190	140.9 Å²	140.9	83%	0.833	73%	0.725	S	S	*	*			trans	62.9	155.5	156.6	-63.4	-54.9	0	0	0	118.7
1789	S	20.6	Very low	22.4	Very low	100 Å²	100	139.1 Å²	139.1	70%	0.699	73%	0.727	S	S	*	*			cis	-154	178.5	10.2	70.5	0	0	0	0	113.9
1790	S	21	Very low	22.4	Very low	111 Å²	111	139.7 Å²	139.7	78%	0.776	73%	0.726	S	S	*	*			trans	88.9	133.3	153.3	80.4	0	0	0	0	121.5
1791	F	20.8	Very low	22.4	Very low	189 Å²	189	141.6 Å²	141.6	83%	0.829	74%	0.736	S	S	*	*			trans	-85.4	158	179.7	-74.3	-126.4	0	0	0	112
1792	N	21.4	Very low	22.3	Very low	150 Å²	150	145.4 Å²	145.4	80%	0.802	75%	0.753	S	S	*	*				175.6	169	104.4	-99.5	-59.6	0	0	0	118
1793	S	21.9	Very low	22.5	Very low	111 Å²	111	143.8 Å²	143.8	78%	0.776	75%	0.75	S	S	*	*			trans	71.7	71.4	157.6	54.8	0	0	0	0	120.3
1794	I	21.6	Very low	22.6	Very low	163 Å²	163	142.6 Å²	142.6	84%	0.836	75%	0.748	S	S	*	*			trans	-32.1	133.4	147.8	-60.9	156.1	0	0	0	114.7
1795	T	21.7	Very low	22.8	Very low	127 Å²	127	142.2 Å²	142.2	78%	0.779	75%	0.746	S	S	*	*			trans	161	144.5	138.8	33.6	0	0	0	0	109.8
1796	R	22.7	Very low	23	Very low	237 Å²	237	141.5 Å²	141.5	89%	0.894	74%	0.743	S	S	*	*			cis	-140.7	136	4.1	-104.2	163.7	-178.8	160.5	0.4	108.7
1797	C	21.8	Very low	23.2	Very low	115 Å²	115	141.2 Å²	141.2	78%	0.777	74%	0.743	S	S	*	*			trans	-82	152.8	168.8	-66.4	0	0	0	0	112.2
1798	N	22	Very low	23.5	Very low	141 Å²	141	139 Å²	139	75%	0.754	74%	0.738	S	S	*	*			trans	155.8	100.3	131.2	-80.3	-25.7	0	0	0	113
1799	S	23.1	Very low	23.9	Very low	116 Å²	116	134 Å²	134	81%	0.811	71%	0.713	S	S	*	*	S	Bend	trans	-179.4	9.5	145.6	38.4	0	0	0	0	117
1800	E	24	Very low	24.4	Very low	149 Å²	149	134.2 Å²	134.2	70%	0.696	70%	0.702	S	S	*	*			trans	-106.4	-14.3	-158.1	-66.8	168.5	137.4	0	0	117.4	M1802 L1803	E1800-M1802 PolarHBondContact O-N 2.9Å; E1800-L1803 PolarHBondContact O-N 3.02Å
1801	L	23.8	Very low	25	Very low	156 Å²	156	131.9 Å²	131.9	82%	0.817	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	23	-168.8	-78.5	169.6	0	0	0	117.3
1802	M	24	Very low	25.4	Very low	183 Å²	183	124.9 Å²	124.9	90%	0.901	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.3	11.6	173.4	-78.4	-67.1	-66.2	0	0	113.5	E1800	E1800-M1802 PolarHBondContact O-N 2.9Å
1803	L	25.5	Very low	25.9	Very low	100 Å²	100	125.4 Å²	125.4	52%	0.524	65%	0.651	S	S	.	*	S	Bend	trans	-113.6	-19	-174.1	-75.8	160.8	0	0	0	115.3	E1800 W1805 L1806 S1807	E1800-L1803 PolarHBondContact O-N 3.02Å; L1803-W1805 VanDerWaalsContact C-N 3.33Å; L1803-W1805 PolarHBondContact O-N 3.12Å; L1803-L1806 PolarHBondContact O-N 3.44Å; L1803-S1807 PolarHBondContact O-N 2.75Å
1804	D	26.2	Very low	26.4	Very low	105 Å²	105	121.9 Å²	121.9	56%	0.561	63%	0.626	S	S	*	*	H	α-helix	trans	-64.2	-27	-168.8	-85.3	-22.9	0	0	0	116.1	L1806 S1807 T1808	D1804-L1806 PolarHBondContact O-N 3.05Å; D1804-S1807 WeakPolarHBondContact CA-OG 3.44Å; D1804-S1807 PolarHBondContact O-OG 3.1Å; D1804-S1807 VanDerWaalsContact O-OG 3.09Å; D1804-T1808 PolarHBondContact O-OG1 2.8Å
1805	W	27.1	Very low	26.6	Very low	207 Å²	207	124 Å²	124	78%	0.784	62%	0.624	S	S	*	*	H	α-helix	trans	-78.6	-3	177.7	-79.1	32	0	0	0	113.5	L1803	L1803-W1805 VanDerWaalsContact C-N 3.33Å; L1803-W1805 PolarHBondContact O-N 3.12Å
1806	L	27.5	Very low	27	Very low	92 Å²	92	119.5 Å²	119.5	48%	0.482	60%	0.595	S	S	.	*	H	α-helix	trans	-120.4	-20.8	172.7	-68.7	173.5	0	0	0	113.1	L1803 D1804 T1808 R1809	L1803-L1806 PolarHBondContact O-N 3.44Å; D1804-L1806 PolarHBondContact O-N 3.05Å; L1806-T1808 PolarHBondContact O-N 2.94Å; L1806-R1809 PolarHBondContact O-N 3.09Å
1807	S	28.2	Very low	27.5	Very low	84 Å²	84	117.6 Å²	117.6	59%	0.587	60%	0.596	S	S	*	*	H	α-helix	trans	-62	-28.1	173.7	64.5	0	0	0	0	112.7	L1803 D1804	L1803-S1807 PolarHBondContact O-N 2.75Å; D1804-S1807 WeakPolarHBondContact CA-OG 3.44Å; D1804-S1807 PolarHBondContact O-OG 3.1Å; D1804-S1807 VanDerWaalsContact O-OG 3.09Å
1808	T	28.5	Very low	27.8	Very low	94 Å²	94	115.8 Å²	115.8	58%	0.577	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	2.4	-179.4	47.7	0	0	0	0	114.5	D1804 L1806	D1804-T1808 PolarHBondContact O-OG1 2.8Å; L1806-T1808 PolarHBondContact O-N 2.94Å
1809	R	28.3	Very low	28.1	Very low	83 Å²	83	114 Å²	114	31%	0.313	57%	0.574	S	S	.	*	S	Bend	trans	-135.7	124.3	-169.5	-68.9	179	170.1	-161	-5.9	113.7	L1806 V1811	L1806-R1809 PolarHBondContact O-N 3.09Å; R1809-V1811 PolarHBondContact O-N 3.36Å
1810	K	31	Very low	28.7	Very low	106 Å²	106	112.9 Å²	112.9	46%	0.461	56%	0.556	S	S	.	*			trans	-78.2	79	-166.6	-161.8	175	-176.2	177	0	113.4	T1812 E1829	K1810-T1812 HydrophobicContact CG-CG2 4.42Å; K1810-T1812 PolarHBondContact O-N 2.96Å; K1810-E1829 WeakPolarHBondContact CB-OE2 3.42Å; K1810-E1829 IonicContact NZ-OE1 3.59Å
1811	V	33.8	Very low	29.1	Very low	61 Å²	61	106.4 Å²	106.4	37%	0.37	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	121.6	173.4	-178.2	0	0	0	0	110.5	R1809 F1813	R1809-V1811 PolarHBondContact O-N 3.36Å; V1811-F1813 HydrophobicContact CG1-CE2 3.89Å; V1811-F1813 HydrophobicContact CG1-CZ 4.03Å
1812	T	30.3	Very low	29.5	Very low	43 Å²	43	101.1 Å²	101.1	26%	0.264	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.3	-174.8	45.9	0	0	0	0	112.5	K1810 S1814 R1825	K1810-T1812 HydrophobicContact CG-CG2 4.42Å; K1810-T1812 PolarHBondContact O-N 2.96Å; T1812-S1814 PolarHBondContact O-N 2.89Å; T1812-R1825 PolarHBondContact N-O 3.36Å; T1812-R1825 PolarHBondContact O-N 2.69Å; T1812-R1825 VanDerWaalsContact O-N 3.14Å; T1812-R1825 PolarHBondContact OG1-O 3.03Å
1813	F	32	Very low	30	Very low	160 Å²	160	92.6 Å²	92.6	70%	0.702	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	90.1	178.3	-67.9	-80.9	0	0	0	111.1	V1811	V1811-F1813 HydrophobicContact CG1-CE2 3.89Å; V1811-F1813 HydrophobicContact CG1-CZ 4.03Å
1814	S	30.5	Very low	30.4	Very low	37 Å²	37	90.4 Å²	90.4	26%	0.259	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	112.7	179.9	52.8	0	0	0	0	112.8	T1812 I1816 C1823	T1812-S1814 PolarHBondContact O-N 2.89Å; S1814-I1816 PolarHBondContact O-N 2.94Å; S1814-C1823 PolarHBondContact N-O 3.03Å; S1814-C1823 VanDerWaalsContact N-O 3.12Å; S1814-C1823 PolarHBondContact O-N 3.09Å; S1814-C1823 VanDerWaalsContact O-N 3.1Å; S1814-C1823 WeakPolarHBondContact OG-CB 3.34Å; S1814-C1823 PolarHBondContact OG-O 3.11Å; S1814-C1823 PolarHBondContact OG-SG 2.93Å; S1814-C1823 VanDerWaalsContact OG-SG 3.34Å
1815	R	27	Very low	30.7	Very low	207 Å²	207	85.7 Å²	85.7	78%	0.781	42%	0.42	S	S	*	.			trans	-83.5	103.8	170.7	-171.2	175.7	-171.2	150.6	7	109.9
1816	I	30.4	Very low	31.1	Very low	34 Å²	34	78.1 Å²	78.1	17%	0.174	39%	0.394	C	S	.	.			trans	-64	150.8	172.2	-65.5	-179.1	0	0	0	109.5	Y1577 S1814 L1818 C1823	Y1577-I1816 WeakPolarHBondContact OH-CG2 3.44Å; S1814-I1816 PolarHBondContact O-N 2.94Å; I1816-L1818 HydrophobicContact CG2-CB 4.5Å; I1816-L1818 HydrophobicContact CG2-CD1 4.47Å; I1816-L1818 HydrophobicContact CG2-CG 4.31Å; I1816-L1818 PolarHBondContact O-N 2.97Å; I1816-C1823 HydrophobicContact CD1-CB 3.56Å; I1816-C1823 HydrophobicContact CG1-CB 3.84Å
1817	H	32.4	Very low	31.3	Very low	197 Å²	197	75 Å²	75	91%	0.912	38%	0.378	S	S	*	.	S	Bend	trans	-72.9	7.3	-174.1	-115.4	-88.5	0	0	0	115.5
1818	L	29.2	Very low	31.6	Very low	76 Å²	76	71.8 Å²	71.8	40%	0.398	36%	0.355	S	S	.	.	S	Bend	trans	-72.3	146.5	167	-73.4	171.6	0	0	0	110.5	Y1577 I1816 E1820 S1821	Y1577-L1818 HydrophobicContact CE1-CD2 4.19Å; Y1577-L1818 HydrophobicContact CE1-CG 4.3Å; Y1577-L1818 VanDerWaalsContact OH-CD1 3.27Å; Y1577-L1818 WeakPolarHBondContact OH-CD1 3.44Å; Y1577-L1818 WeakPolarHBondContact OH-CG 3.31Å; I1816-L1818 HydrophobicContact CG2-CB 4.5Å; I1816-L1818 HydrophobicContact CG2-CD1 4.47Å; I1816-L1818 HydrophobicContact CG2-CG 4.31Å; I1816-L1818 PolarHBondContact O-N 2.97Å; L1818-E1820 PolarHBondContact O-N 2.72Å; L1818-S1821 WeakPolarHBondContact CB-OG 3.29Å; L1818-S1821 WeakPolarHBondContact CD1-OG 3.17Å
1819	P	28	Very low	31.6	Very low	104 Å²	104	69.6 Å²	69.6	68%	0.675	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-27.1	176.5	-24.8	35.4	0	0	0	114.4
1820	E	35.4	Very low	31.8	Very low	92 Å²	92	69.2 Å²	69.2	43%	0.43	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.4	28.5	-155.3	-76.8	153.2	-151.6	0	0	113.5	L1818 S1856 N1857	L1818-E1820 PolarHBondContact O-N 2.72Å; E1820-S1856 VanDerWaalsContact CA-OG 3.23Å; E1820-S1856 WeakPolarHBondContact CA-OG 3.32Å; E1820-S1856 WeakPolarHBondContact CB-OG 3.24Å; E1820-S1856 PolarHBondContact O-N 3Å; E1820-S1856 PolarHBondContact O-OG 3.3Å; E1820-S1856 VanDerWaalsContact O-OG 3.05Å; E1820-N1857 PolarHBondContact OE2-ND2 2.76Å
1821	S	31.7	Very low	31.6	Very low	13 Å²	13	72.6 Å²	72.6	9%	0.091	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	151.3	175.7	69	0	0	0	0	115	L1818 I1854	L1818-S1821 WeakPolarHBondContact CB-OG 3.29Å; L1818-S1821 WeakPolarHBondContact CD1-OG 3.17Å; S1821-I1854 CarbonylContact C-O 3.52Å; S1821-I1854 VanDerWaalsContact CA-O 3.22Å; S1821-I1854 WeakPolarHBondContact CA-O 3.43Å
1822	I	32.6	Very low	31.3	Very low	45 Å²	45	81 Å²	81	23%	0.231	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.7	177.7	-59.7	177.8	0	0	0	109.5	I1854 L1925 I1929	I1822-I1854 PolarHBondContact N-O 2.95Å; I1822-I1854 PolarHBondContact O-N 2.81Å; I1822-L1925 HydrophobicContact CD1-CD2 3.93Å; I1822-L1925 HydrophobicContact CD1-CG 4.41Å; I1822-I1929 HydrophobicContact CD1-CD1 3.42Å; I1822-I1929 VanDerWaalsContact CD1-CD1 3.42Å
1823	C	34.5	Very low	31.4	Very low	4 Å²	4	88.2 Å²	88.2	3%	0.027	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.6	169.8	172.8	0	0	0	0	109.7	S1814 I1816 C1852	S1814-C1823 PolarHBondContact N-O 3.03Å; S1814-C1823 VanDerWaalsContact N-O 3.12Å; S1814-C1823 PolarHBondContact O-N 3.09Å; S1814-C1823 VanDerWaalsContact O-N 3.1Å; S1814-C1823 WeakPolarHBondContact OG-CB 3.34Å; S1814-C1823 PolarHBondContact OG-O 3.11Å; S1814-C1823 PolarHBondContact OG-SG 2.93Å; S1814-C1823 VanDerWaalsContact OG-SG 3.34Å; I1816-C1823 HydrophobicContact CD1-CB 3.56Å; I1816-C1823 HydrophobicContact CG1-CB 3.84Å; C1823-C1852 WeakPolarHBondContact CA-O 3.49Å
1824	I	34.1	Very low	31.2	Very low	55 Å²	55	89 Å²	89	28%	0.282	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.1	169.1	-57.7	177.1	0	0	0	106.8	S1851 C1852 I1854	I1824-S1851 VanDerWaalsContact O-CA 3.28Å; I1824-S1851 WeakPolarHBondContact O-CA 3.44Å; I1824-C1852 PolarHBondContact N-O 3.16Å; I1824-C1852 PolarHBondContact O-N 3.36Å; I1824-I1854 HydrophobicContact CD1-CD1 3.74Å; I1824-I1854 HydrophobicContact CG1-CD1 4.44Å
1825	R	32.6	Very low	31.2	Very low	5 Å²	5	93.1 Å²	93.1	2%	0.019	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.5	168.9	-174.8	179.6	-72.3	-170.6	-2.2	110.6	F1571 Y1572 T1812 N1827 I1849 A1850	F1571-R1825 VanDerWaalsContact CG-NH1 3.27Å; Y1572-R1825 PolarHBondContact O-NH2 3.38Å; T1812-R1825 PolarHBondContact N-O 3.36Å; T1812-R1825 PolarHBondContact O-N 2.69Å; T1812-R1825 VanDerWaalsContact O-N 3.14Å; T1812-R1825 PolarHBondContact OG1-O 3.03Å; R1825-N1827 VanDerWaalsContact CD-OD1 3.24Å; R1825-N1827 WeakPolarHBondContact CD-OD1 3.48Å; R1825-N1827 WeakPolarHBondContact CG-OD1 3.41Å; R1825-I1849 HydrophobicContact CG-CG2 4.08Å; R1825-A1850 WeakPolarHBondContact CA-O 3.37Å
1826	I	34.7	Very low	31.3	Very low	48 Å²	48	89.6 Å²	89.6	25%	0.246	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.6	171.2	-54.3	173.1	0	0	0	106.1	T1828 A1850 I1907	I1826-T1828 HydrophobicContact CG2-CG2 4.15Å; I1826-A1850 HydrophobicContact CB-CB 4.46Å; I1826-A1850 PolarHBondContact N-O 2.88Å; I1826-A1850 PolarHBondContact O-N 3.32Å; I1826-I1907 HydrophobicContact CD1-CD1 3.99Å
1827	N	32.8	Very low	31.2	Very low	26 Å²	26	94.6 Å²	94.6	14%	0.139	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	138.9	162.8	-73.3	16.6	0	0	0	107.5	R1825	R1825-N1827 VanDerWaalsContact CD-OD1 3.24Å; R1825-N1827 WeakPolarHBondContact CD-OD1 3.48Å; R1825-N1827 WeakPolarHBondContact CG-OD1 3.41Å
1828	T	33.8	Very low	31	Very low	17 Å²	17	92.7 Å²	92.7	10%	0.104	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	91.3	165.7	75.4	0	0	0	0	110.1	I1826 V1848	I1826-T1828 HydrophobicContact CG2-CG2 4.15Å; T1828-V1848 PolarHBondContact N-O 3.21Å
1829	E	28.3	Very low	31	Very low	49 Å²	49	95.8 Å²	95.8	23%	0.229	49%	0.493	C	S	.	.			trans	-62.7	136.5	163.3	-69.9	131	-175	0	0	108.7	K1810	K1810-E1829 WeakPolarHBondContact CB-OE2 3.42Å; K1810-E1829 IonicContact NZ-OE1 3.59Å
1830	S	31.5	Very low	31	Very low	74 Å²	74	99.6 Å²	99.6	52%	0.517	50%	0.5	S	S	.	.			trans	-110	81.6	178.6	59.9	0	0	0	0	110.9	R1832	S1830-R1832 PolarHBondContact O-N 2.8Å
1831	H	27.7	Very low	30.5	Very low	178 Å²	178	100.2 Å²	100.2	82%	0.824	51%	0.514	S	S	*	.			trans	-64.2	98.2	165.3	-74.6	-72.8	0	0	0	109.8
1832	R	28.3	Very low	30.2	Very low	237 Å²	237	110.1 Å²	110.1	89%	0.894	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-75.2	134.9	152.6	-90.6	-170.7	170.5	-169.4	-2.7	107.7	S1830	S1830-R1832 PolarHBondContact O-N 2.8Å
1833	K	30.8	Very low	29.9	Very low	194 Å²	194	116.7 Å²	116.7	84%	0.843	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-77.1	144.2	152.3	-68.2	-171.3	172.4	-165.4	0	107.4
1834	E	29.5	Very low	29.7	Very low	176 Å²	176	122 Å²	122	82%	0.822	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-65	142.8	170.7	-70	150.1	143.3	0	0	110.1
1835	C	29.4	Very low	29.3	Very low	124 Å²	124	127.5 Å²	127.5	84%	0.838	64%	0.635	S	S	*	*			trans	-150.4	92.3	171.8	-78.1	0	0	0	0	105.6
1836	D	30	Very low	29.3	Very low	134 Å²	134	128.5 Å²	128.5	72%	0.717	65%	0.648	S	S	*	*			trans	-65.1	157.8	174	-47.6	-53.1	0	0	0	110.1
1837	N	27.6	Very low	29.1	Very low	138 Å²	138	131 Å²	131	74%	0.738	66%	0.661	S	S	*	*			cis	-135.8	-173.3	11.8	-85.1	-74.5	0	0	0	111.4
1838	D	28	Very low	29.2	Very low	158 Å²	158	131.6 Å²	131.6	85%	0.845	67%	0.666	S	S	*	*			trans	74.8	37.3	150.5	-62.4	-28.2	0	0	0	121.4
1839	V	29.5	Very low	28.9	Very low	140 Å²	140	132.8 Å²	132.8	85%	0.848	67%	0.671	S	S	*	*			trans	-135.2	135.5	147.2	-173.5	0	0	0	0	111.1
1840	K	27.7	Very low	29.3	Very low	185 Å²	185	131.1 Å²	131.1	80%	0.804	67%	0.665	S	S	*	*			trans	-75.7	130.2	-177.4	-66.2	174.9	-179.4	172.6	0	112.7
1841	S	25	Very low	29.3	Very low	105 Å²	105	131.2 Å²	131.2	73%	0.734	67%	0.666	S	S	*	*			trans	47.7	88.2	151.1	61.8	0	0	0	0	118.1
1842	Y	25.9	Very low	29.6	Very low	220 Å²	220	125.4 Å²	125.4	86%	0.863	65%	0.645	S	S	*	*			trans	-142.5	100	157.5	-88.3	-82.5	0	0	0	110
1843	E	26.3	Very low	29.8	Very low	184 Å²	184	119.4 Å²	119.4	86%	0.86	63%	0.63	S	S	*	*			trans	-103	169.1	-179.7	-64.6	-178.4	133	0	0	112.1
1844	N	29.9	Very low	30	Very low	114 Å²	114	113.3 Å²	113.3	61%	0.61	61%	0.605	S	S	*	*			trans	65.8	68.1	174.7	-70.9	-24.4	0	0	0	118.3	Y1878	N1844-Y1878 HydrophobicContact CB-CD2 4.22Å; N1844-Y1878 HydrophobicContact CB-CE2 3.76Å; N1844-Y1878 WeakPolarHBondContact O-CD2 3.35Å
1845	M	26.7	Very low	30.2	Very low	171 Å²	171	108.8 Å²	108.8	84%	0.842	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-82.3	118.5	151.8	-85.6	-80.4	-179.4	0	0	110.1
1846	G	31.6	Very low	30.4	Very low	27 Å²	27	105.2 Å²	105.2	28%	0.278	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-87.8	154.1	-171.6	0	0	0	0	0	115.9	V1848	G1846-V1848 PolarHBondContact O-N 2.83Å
1847	N	31.7	Very low	30.6	Very low	100 Å²	100	103.4 Å²	103.4	54%	0.535	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-59.7	119.2	177	-84.5	-45	0	0	0	112.9
1848	V	33.1	Very low	30.9	Very low	38 Å²	38	100 Å²	100	23%	0.23	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.4	173.1	-170.6	0	0	0	0	109.8	T1828 G1846 L1874	T1828-V1848 PolarHBondContact N-O 3.21Å; G1846-V1848 PolarHBondContact O-N 2.83Å; V1848-L1874 HydrophobicContact CG1-CB 4.26Å; V1848-L1874 HydrophobicContact CG1-CD2 3.85Å
1849	I	29	Very low	30.9	Very low	42 Å²	42	96.2 Å²	96.2	22%	0.215	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.3	178	-56.3	175.1	0	0	0	108.8	R1825	R1825-I1849 HydrophobicContact CG-CG2 4.08Å
1850	A	35.3	Very low	31	Very low	14 Å²	14	95.1 Å²	95.1	12%	0.116	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.3	166.5	0	0	0	0	0	110	R1825 I1826 L1872 L1874	R1825-A1850 WeakPolarHBondContact CA-O 3.37Å; I1826-A1850 HydrophobicContact CB-CB 4.46Å; I1826-A1850 PolarHBondContact N-O 2.88Å; I1826-A1850 PolarHBondContact O-N 3.32Å; A1850-L1872 HydrophobicContact CB-CD2 4.44Å; A1850-L1874 HydrophobicContact CB-CD2 4.16Å
1851	S	32.5	Very low	30.9	Very low	76 Å²	76	91.6 Å²	91.6	53%	0.531	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	140.8	178.7	60.8	0	0	0	0	113.1	I1824	I1824-S1851 VanDerWaalsContact O-CA 3.28Å; I1824-S1851 WeakPolarHBondContact O-CA 3.44Å
1852	C	32.8	Very low	31.1	Very low	57 Å²	57	95.9 Å²	95.9	39%	0.385	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.4	178.1	-178.8	0	0	0	0	110.9	C1823 I1824	C1823-C1852 WeakPolarHBondContact CA-O 3.49Å; I1824-C1852 PolarHBondContact N-O 3.16Å; I1824-C1852 PolarHBondContact O-N 3.36Å
1853	I	33.6	Very low	31.2	Very low	110 Å²	110	89.4 Å²	89.4	56%	0.564	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.1	179.2	-57.9	175.6	0	0	0	109
1854	I	34.4	Very low	31.2	Very low	66 Å²	66	87.4 Å²	87.4	34%	0.338	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.7	179.1	-57.4	176.2	0	0	0	108.9	S1821 I1822 I1824 L1925	S1821-I1854 CarbonylContact C-O 3.52Å; S1821-I1854 VanDerWaalsContact CA-O 3.22Å; S1821-I1854 WeakPolarHBondContact CA-O 3.43Å; I1822-I1854 PolarHBondContact N-O 2.95Å; I1822-I1854 PolarHBondContact O-N 2.81Å; I1824-I1854 HydrophobicContact CD1-CD1 3.74Å; I1824-I1854 HydrophobicContact CG1-CD1 4.44Å; I1854-L1925 HydrophobicContact CG2-CD2 4.23Å
1855	N	33.8	Very low	31.2	Very low	82 Å²	82	87.6 Å²	87.6	44%	0.439	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	125.7	176.1	-178.5	-15.9	0	0	0	110.2	N1857 S1858	N1855-N1857 VanDerWaalsContact C-N 3.26Å; N1855-N1857 PolarHBondContact O-N 3.48Å; N1855-N1857 WeakPolarHBondContact OD1-CB 3.29Å; N1855-N1857 PolarHBondContact OD1-N 2.95Å; N1855-S1858 PolarHBondContact O-OG 3.06Å
1856	S	34.9	Very low	31.1	Very low	48 Å²	48	81.7 Å²	81.7	34%	0.336	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.5	-176.6	65.5	0	0	0	0	114.9	E1820 S1858	E1820-S1856 VanDerWaalsContact CA-OG 3.23Å; E1820-S1856 WeakPolarHBondContact CA-OG 3.32Å; E1820-S1856 WeakPolarHBondContact CB-OG 3.24Å; E1820-S1856 PolarHBondContact O-N 3Å; E1820-S1856 PolarHBondContact O-OG 3.3Å; E1820-S1856 VanDerWaalsContact O-OG 3.05Å; S1856-S1858 VanDerWaalsContact C-N 3.31Å
1857	N	33.4	Very low	30.9	Very low	97 Å²	97	84.3 Å²	84.3	52%	0.519	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-5.1	176.8	-67.7	-26.6	0	0	0	113.5	E1820 N1855 P1859	E1820-N1857 PolarHBondContact OE2-ND2 2.76Å; N1855-N1857 VanDerWaalsContact C-N 3.26Å; N1855-N1857 PolarHBondContact O-N 3.48Å; N1855-N1857 WeakPolarHBondContact OD1-CB 3.29Å; N1855-N1857 PolarHBondContact OD1-N 2.95Å; N1857-P1859 WeakPolarHBondContact O-CD 3.42Å
1858	S	33.5	Very low	30.7	Very low	66 Å²	66	87.7 Å²	87.7	46%	0.462	50%	0.5	S	S	.	.	S	Bend	trans	-66.1	119.5	169.3	61.5	0	0	0	0	110.8	N1855 S1856 L1860	N1855-S1858 PolarHBondContact O-OG 3.06Å; S1856-S1858 VanDerWaalsContact C-N 3.31Å; S1858-L1860 PolarHBondContact O-N 3.14Å; S1858-L1860 VanDerWaalsContact O-N 3.07Å
1859	P	29.3	Very low	30.4	Very low	78 Å²	78	93.7 Å²	93.7	51%	0.506	53%	0.525	S	S	.	.			trans	-77.6	100.9	-176.3	29.2	-32.2	0	0	0	111.3	Y328 N1857 N1861	Y328-P1859 HydrophobicContact CE1-CG 4.5Å; Y328-P1859 WeakPolarHBondContact OH-CG 3.42Å; N1857-P1859 WeakPolarHBondContact O-CD 3.42Å; P1859-N1861 PolarHBondContact O-N 3.37Å
1860	L	29.9	Very low	30.2	Very low	118 Å²	118	98.5 Å²	98.5	62%	0.618	54%	0.544	S	S	*	.			trans	-61.2	22.4	176.9	-74.4	164.9	0	0	0	115.7	S1858	S1858-L1860 PolarHBondContact O-N 3.14Å; S1858-L1860 VanDerWaalsContact O-N 3.07Å
1861	N	27.2	Very low	29.9	Very low	110 Å²	110	104.8 Å²	104.8	59%	0.588	57%	0.572	S	S	*	*	S	Bend	trans	-106.1	93.2	-175.1	-87.7	-65.7	0	0	0	112.7	P1859	P1859-N1861 PolarHBondContact O-N 3.37Å
1862	K	28.7	Very low	29.7	Very low	196 Å²	196	103.4 Å²	103.4	85%	0.852	56%	0.558	S	S	*	*	S	Bend	trans	71.8	42.6	156.7	-52.4	-172.2	177.4	-171.7	0	119
1863	A	27.6	Very low	29.7	Very low	83 Å²	83	105 Å²	105	69%	0.686	56%	0.558	S	S	*	*			trans	-164.6	137.6	145.6	0	0	0	0	0	110.1
1864	L	26.8	Very low	29.4	Very low	142 Å²	142	101.2 Å²	101.2	74%	0.743	54%	0.539	S	S	*	.			trans	-119.9	41.9	174.4	-131.9	174.8	0	0	0	109.4
1865	T	29.1	Very low	29.2	Very low	119 Å²	119	104.7 Å²	104.7	73%	0.73	55%	0.552	S	S	*	*			trans	-130.3	44.4	-161.2	62.4	0	0	0	0	111.9
1866	G	24.3	Very low	29.1	Very low	46 Å²	46	104.8 Å²	104.8	47%	0.474	55%	0.553	S	S	.	*			trans	-173.2	153.9	177	0	0	0	0	0	112.6
1867	F	27.2	Very low	29	Very low	82 Å²	82	109.3 Å²	109.3	36%	0.36	56%	0.562	S	S	.	*			trans	75.6	122.6	172.4	-58.7	-80.8	0	0	0	118.9	L329 E332	L329-F1867 HydrophobicContact CB-CZ 4.44Å; L329-F1867 HydrophobicContact CD2-CE1 3.75Å; L329-F1867 HydrophobicContact CD2-CZ 3.75Å; L329-F1867 HydrophobicContact CG-CE1 4.38Å; L329-F1867 HydrophobicContact CG-CZ 3.91Å; E332-F1867 WeakPolarHBondContact OE2-CD2 3.44Å
1868	Q	27.5	Very low	28.8	Very low	172 Å²	172	110.3 Å²	110.3	80%	0.804	56%	0.559	S	S	*	*			trans	61.6	127.6	148.5	-64.5	176.3	-16.2	0	0	118.8	F1870	Q1868-F1870 PolarHBondContact O-N 3.09Å
1869	H	28.3	Very low	28.7	Very low	164 Å²	164	116.5 Å²	116.5	76%	0.759	58%	0.578	S	S	*	*			trans	-62.5	126	172.4	-61.6	-97.5	0	0	0	110.4	Q1871	H1869-Q1871 VanDerWaalsContact C-N 3.28Å; H1869-Q1871 PolarHBondContact O-N 3.19Å
1870	F	25.2	Very low	28.7	Very low	142 Å²	142	118.7 Å²	118.7	62%	0.623	59%	0.59	S	S	*	*			trans	-64.4	87.6	165.5	-96.5	-99.7	0	0	0	109.8	Q1868 L1872 I1911	Q1868-F1870 PolarHBondContact O-N 3.09Å; F1870-L1872 PolarHBondContact O-N 3.12Å; F1870-I1911 HydrophobicContact CE1-CD1 4.05Å; F1870-I1911 HydrophobicContact CZ-CD1 4.02Å
1871	Q	29.1	Very low	28.4	Very low	147 Å²	147	122 Å²	122	69%	0.687	60%	0.6	S	S	*	*			trans	-87.8	93.7	177.8	-164.6	-178.7	62.4	0	0	110.1	H1869 K1873	H1869-Q1871 VanDerWaalsContact C-N 3.28Å; H1869-Q1871 PolarHBondContact O-N 3.19Å; Q1871-K1873 VanDerWaalsContact C-N 3.34Å; Q1871-K1873 HydrophobicContact CG-CG 4.46Å; Q1871-K1873 PolarHBondContact O-N 3.49Å; Q1871-K1873 VanDerWaalsContact OE1-CE 3.23Å
1872	L	28.1	Very low	28.4	Very low	47 Å²	47	124.2 Å²	124.2	25%	0.246	61%	0.61	C	S	.	*			trans	-68.4	89.1	169	-80.2	156.3	0	0	0	109.7	A1850 F1870 L1874 L1903 K1904 I1907	A1850-L1872 HydrophobicContact CB-CD2 4.44Å; F1870-L1872 PolarHBondContact O-N 3.12Å; L1872-L1874 PolarHBondContact O-N 3.11Å; L1872-L1903 HydrophobicContact CD1-CD2 3.79Å; L1872-L1903 HydrophobicContact CD2-CD2 4.06Å; L1872-L1903 HydrophobicContact CG-CD2 4.5Å; L1872-K1904 HydrophobicContact CD1-CB 4.25Å; L1872-I1907 HydrophobicContact CD1-CD1 4.28Å; L1872-I1907 HydrophobicContact CD2-CD1 3.95Å
1873	K	31.5	Very low	28.3	Very low	90 Å²	90	121.3 Å²	121.3	39%	0.391	60%	0.602	S	S	.	*			trans	-69.1	93.8	166.8	-68.9	-176.7	-177.3	176	0	108.6	E106 Q1871	E106-K1873 IonicContact OE1-NZ 3.55Å; E106-K1873 PolarHBondContact OE1-NZ 3.4Å; E106-K1873 IonicContact OE2-NZ 3.2Å; E106-K1873 PolarHBondContact OE2-NZ 3.32Å; Q1871-K1873 VanDerWaalsContact C-N 3.34Å; Q1871-K1873 HydrophobicContact CG-CG 4.46Å; Q1871-K1873 PolarHBondContact O-N 3.49Å; Q1871-K1873 VanDerWaalsContact OE1-CE 3.23Å
1874	L	28.3	Very low	28.1	Very low	31 Å²	31	123.3 Å²	123.3	16%	0.162	61%	0.608	C	S	.	*			trans	-85.1	121	166.1	-60.5	179.8	0	0	0	107.8	V1848 A1850 L1872 F1899	V1848-L1874 HydrophobicContact CG1-CB 4.26Å; V1848-L1874 HydrophobicContact CG1-CD2 3.85Å; A1850-L1874 HydrophobicContact CB-CD2 4.16Å; L1872-L1874 PolarHBondContact O-N 3.11Å; L1874-F1899 HydrophobicContact CD1-CD1 4.15Å; L1874-F1899 HydrophobicContact CD1-CE1 3.89Å
1875	F	29.3	Very low	28.1	Very low	139 Å²	139	128 Å²	128	61%	0.61	62%	0.616	S	S	*	*			trans	-86.2	137.7	173.4	-79.2	-94.8	0	0	0	110.4
1876	D	33.1	Very low	27.9	Very low	84 Å²	84	131.2 Å²	131.2	45%	0.449	62%	0.623	S	S	.	*			trans	-131.4	119.7	174.1	-167.7	-6.5	0	0	0	106.5	H1896	D1876-H1896 IonicContact OD2-CE1 3.6Å
1877	R	31.1	Very low	28.3	Very low	143 Å²	143	138.8 Å²	138.8	54%	0.54	64%	0.643	S	S	.	*			trans	-86.5	-13.2	-158.4	-88.6	-168.8	172.5	-152.3	-7.1	115.5	Y1572	Y1572-R1877 PolarHBondContact OH-NH2 2.91Å
1878	Y	28.8	Very low	28.4	Very low	117 Å²	117	143.7 Å²	143.7	46%	0.459	66%	0.664	S	S	.	*			trans	-138.2	104.2	-169.8	-60	-70.3	0	0	0	112.4	N1844	N1844-Y1878 HydrophobicContact CB-CD2 4.22Å; N1844-Y1878 HydrophobicContact CB-CE2 3.76Å; N1844-Y1878 WeakPolarHBondContact O-CD2 3.35Å
1879	K	32.8	Very low	28.4	Very low	196 Å²	196	142.5 Å²	142.5	85%	0.852	66%	0.663	S	S	*	*			trans	-132.2	76.7	160.6	-75.6	-156.4	171.2	-163.6	0	110.8
1880	T	29	Very low	28.4	Very low	124 Å²	124	142.8 Å²	142.8	76%	0.761	67%	0.67	S	S	*	*			trans	-66	159.7	172.8	41.5	0	0	0	0	112.2	I1882	T1880-I1882 PolarHBondContact O-N 3.37Å; T1880-I1882 VanDerWaalsContact O-N 3.14Å
1881	K	24.3	Very low	28.6	Very low	188 Å²	188	142.6 Å²	142.6	82%	0.817	68%	0.68	S	S	*	*			trans	-67	107.3	-176.9	-65.9	177.2	-179.6	177	0	111.5	I1883	K1881-I1883 PolarHBondContact O-N 3.34Å
1882	I	27.3	Very low	28.5	Very low	157 Å²	157	141 Å²	141	81%	0.805	69%	0.685	S	S	*	*			trans	-82.8	102.9	161.3	-59.2	179.8	0	0	0	107.7	T1880	T1880-I1882 PolarHBondContact O-N 3.37Å; T1880-I1882 VanDerWaalsContact O-N 3.14Å
1883	I	25.6	Very low	28.4	Very low	135 Å²	135	147.3 Å²	147.3	69%	0.692	71%	0.713	S	S	*	*			trans	-73.4	131.1	168.4	-61.7	172.4	0	0	0	107.2	K1881 R1885	K1881-I1883 PolarHBondContact O-N 3.34Å; I1883-R1885 PolarHBondContact O-N 3.08Å
1884	P	23.6	Very low	28.4	Very low	124 Å²	124	152 Å²	152	81%	0.805	73%	0.734	S	S	*	*			trans	-65.2	119.3	178.5	26.7	-33.7	0	0	0	110.3
1885	R	26.2	Very low	28.7	Very low	240 Å²	240	155.6 Å²	155.6	91%	0.906	75%	0.753	S	S	*	*			trans	-119	138.1	162	-98.2	-172.7	167.6	-175.9	-3.1	108.9	I1883 K1887	I1883-R1885 PolarHBondContact O-N 3.08Å; R1885-K1887 PolarHBondContact O-N 3.11Å
1886	E	25.7	Very low	29	Very low	187 Å²	187	153.2 Å²	153.2	87%	0.874	74%	0.743	S	S	*	*			trans	-74.3	120.3	-166.3	-54.8	149.4	129	0	0	111.8
1887	K	32.5	Very low	29.2	Very low	205 Å²	205	152.9 Å²	152.9	89%	0.891	75%	0.747	S	S	*	*			trans	-175.9	170.5	133.9	-99.2	155.9	-172.1	-177.7	0	111.1	R1885	R1885-K1887 PolarHBondContact O-N 3.11Å
1888	K	28.3	Very low	29.5	Very low	186 Å²	186	148.8 Å²	148.8	81%	0.809	74%	0.738	S	S	*	*			trans	-91	177.9	-163.6	-58.9	-176.9	175	-177.4	0	113.9
1889	D	29.3	Very low	29.9	Very low	146 Å²	146	146.5 Å²	146.5	78%	0.781	73%	0.731	S	S	*	*			trans	96.1	143.5	156.6	-48.6	-29.6	0	0	0	116.9
1890	D	28	Very low	30.3	Very low	170 Å²	170	140.1 Å²	140.1	91%	0.909	70%	0.704	S	S	*	*			trans	-80.3	129.9	-152.5	-65.1	-62.6	0	0	0	115.3
1891	V	28.2	Very low	30.9	Very low	139 Å²	139	138.3 Å²	138.3	84%	0.842	69%	0.687	S	S	*	*			trans	-134.7	136.8	165	-176.3	0	0	0	0	110.4	E1893	V1891-E1893 PolarHBondContact O-N 3.13Å
1892	S	27.2	Very low	31.5	Very low	113 Å²	113	134.4 Å²	134.4	79%	0.79	67%	0.667	S	S	*	*			trans	-60.5	114.6	-165.4	42.1	0	0	0	0	115.8	F1894	S1892-F1894 PolarHBondContact O-N 3.05Å
1893	E	26	Very low	32	Very low	179 Å²	179	128.7 Å²	128.7	84%	0.836	64%	0.638	S	S	*	*			trans	-69.5	114	170.2	-163.8	-179	-153	0	0	110.5	V1891 I1895	V1891-E1893 PolarHBondContact O-N 3.13Å; E1893-I1895 WeakPolarHBondContact O-CG1 3.3Å; E1893-I1895 PolarHBondContact O-N 3.24Å
1894	F	32.7	Very low	32.6	Very low	188 Å²	188	128.9 Å²	128.9	83%	0.825	63%	0.633	S	S	*	*			trans	-73.5	98.7	-175.2	-159.9	-89.8	0	0	0	110.6	S1892 H1896	S1892-F1894 PolarHBondContact O-N 3.05Å; F1894-H1896 PolarHBondContact O-N 2.83Å
1895	I	33.9	Very low	33.4	Very low	108 Å²	108	125.5 Å²	125.5	55%	0.554	62%	0.616	S	S	*	*			trans	-64.6	87	-167.8	-49.7	-177.4	0	0	0	112.5	E1893 S1897 V1898	E1893-I1895 WeakPolarHBondContact O-CG1 3.3Å; E1893-I1895 PolarHBondContact O-N 3.24Å; I1895-S1897 VanDerWaalsContact CG2-OG 3.3Å; I1895-S1897 WeakPolarHBondContact CG2-OG 3.2Å; I1895-S1897 PolarHBondContact O-N 3.22Å; I1895-S1897 VanDerWaalsContact O-N 3.17Å; I1895-V1898 HydrophobicContact CB-CG2 4.27Å; I1895-V1898 HydrophobicContact CG2-CB 4.48Å; I1895-V1898 HydrophobicContact CG2-CG2 3.78Å; I1895-V1898 PolarHBondContact O-N 3.11Å; I1895-V1898 VanDerWaalsContact O-N 3.07Å
1896	H	35.1	Very low	33.8	Very low	88 Å²	88	117.5 Å²	117.5	41%	0.407	59%	0.594	S	S	.	*	H	α-helix	trans	-56.8	-32.1	-175.6	-166.6	102.8	0	0	0	112.8	D1876 F1894 V1898 F1899 H1900	D1876-H1896 IonicContact OD2-CE1 3.6Å; F1894-H1896 PolarHBondContact O-N 2.83Å; H1896-V1898 PolarHBondContact O-N 2.71Å; H1896-F1899 PolarHBondContact O-N 2.85Å; H1896-H1900 AromaticContact CD2-CD2 3.27Å; H1896-H1900 PolarHBondContact CD2-CD2 3.48Å; H1896-H1900 AromaticContact CD2-NE2 3.21Å; H1896-H1900 PolarHBondContact CD2-NE2 2.88Å; H1896-H1900 AromaticContact NE2-CD2 3.48Å; H1896-H1900 PolarHBondContact NE2-CD2 3.03Å; H1896-H1900 AromaticContact NE2-NE2 2.94Å; H1896-H1900 PolarHBondContact NE2-NE2 3.15Å; H1896-H1900 PolarHBondContact O-CD2 3.33Å; H1896-H1900 PolarHBondContact O-N 3.3Å; H1896-H1900 VanDerWaalsContact O-N 3.16Å
1897	S	36.9	Very low	34.3	Very low	77 Å²	77	110.2 Å²	110.2	54%	0.538	56%	0.561	S	S	.	*	H	α-helix	trans	-64	-34.3	177.1	53.5	0	0	0	0	113.5	I1895 F1899 H1900 E1901	I1895-S1897 VanDerWaalsContact CG2-OG 3.3Å; I1895-S1897 WeakPolarHBondContact CG2-OG 3.2Å; I1895-S1897 PolarHBondContact O-N 3.22Å; I1895-S1897 VanDerWaalsContact O-N 3.17Å; S1897-F1899 VanDerWaalsContact C-N 3.32Å; S1897-F1899 PolarHBondContact O-N 2.95Å; S1897-H1900 PolarHBondContact O-N 2.92Å; S1897-E1901 WeakPolarHBondContact O-CB 3.29Å; S1897-E1901 PolarHBondContact O-N 2.94Å
1898	V	38.9	Very low	34.3	Very low	57 Å²	57	101.7 Å²	101.7	35%	0.345	53%	0.531	S	S	.	.	H	α-helix	trans	-69.6	-31.9	178.1	175.7	0	0	0	0	111.4	I1895 H1896 R1902	I1895-V1898 HydrophobicContact CB-CG2 4.27Å; I1895-V1898 HydrophobicContact CG2-CB 4.48Å; I1895-V1898 HydrophobicContact CG2-CG2 3.78Å; I1895-V1898 PolarHBondContact O-N 3.11Å; I1895-V1898 VanDerWaalsContact O-N 3.07Å; H1896-V1898 PolarHBondContact O-N 2.71Å; V1898-R1902 WeakPolarHBondContact O-CB 3.48Å; V1898-R1902 PolarHBondContact O-N 3.1Å
1899	F	36.7	Very low	34.4	Very low	70 Å²	70	99 Å²	99	31%	0.307	53%	0.525	S	S	.	.	H	α-helix	trans	-69.1	-46.7	172.4	-179.3	-105.9	0	0	0	111.6	L1874 H1896 S1897 E1901 R1902 L1903	L1874-F1899 HydrophobicContact CD1-CD1 4.15Å; L1874-F1899 HydrophobicContact CD1-CE1 3.89Å; H1896-F1899 PolarHBondContact O-N 2.85Å; S1897-F1899 VanDerWaalsContact C-N 3.32Å; S1897-F1899 PolarHBondContact O-N 2.95Å; F1899-E1901 PolarHBondContact O-N 2.8Å; F1899-R1902 PolarHBondContact O-N 3.18Å; F1899-L1903 HydrophobicContact CE1-CD1 3.83Å; F1899-L1903 HydrophobicContact CE2-CD1 4.32Å; F1899-L1903 HydrophobicContact CZ-CD1 3.61Å; F1899-L1903 VanDerWaalsContact O-CB 3.31Å; F1899-L1903 WeakPolarHBondContact O-CB 3.38Å; F1899-L1903 PolarHBondContact O-N 3.47Å
1900	H	41.1	Very low	34.5	Very low	62 Å²	62	97.8 Å²	97.8	29%	0.287	52%	0.518	S	S	.	.	H	α-helix	trans	-56.8	-47.6	173.9	-87	-109.5	0	0	0	111.9	H1896 S1897 L1903 K1904	H1896-H1900 AromaticContact CD2-CD2 3.27Å; H1896-H1900 PolarHBondContact CD2-CD2 3.48Å; H1896-H1900 AromaticContact CD2-NE2 3.21Å; H1896-H1900 PolarHBondContact CD2-NE2 2.88Å; H1896-H1900 AromaticContact NE2-CD2 3.48Å; H1896-H1900 PolarHBondContact NE2-CD2 3.03Å; H1896-H1900 AromaticContact NE2-NE2 2.94Å; H1896-H1900 PolarHBondContact NE2-NE2 3.15Å; H1896-H1900 PolarHBondContact O-CD2 3.33Å; H1896-H1900 PolarHBondContact O-N 3.3Å; H1896-H1900 VanDerWaalsContact O-N 3.16Å; S1897-H1900 PolarHBondContact O-N 2.92Å; H1900-L1903 PolarHBondContact O-N 3.29Å; H1900-K1904 WeakPolarHBondContact O-CB 3.45Å; H1900-K1904 PolarHBondContact O-N 3.09Å
1901	E	40.5	Very low	34.7	Very low	86 Å²	86	94.2 Å²	94.2	40%	0.402	50%	0.498	S	S	.	.	H	α-helix	trans	-56.2	-53.1	175.7	-91.6	-123.2	101.5	0	0	112.8	R1434 S1897 F1899 L1903 K1904 A1905	R1434-E1901 IonicContact CZ-OE1 2.77Å; R1434-E1901 IonicContact CZ-OE2 2.7Å; R1434-E1901 IonicContact NH1-OE1 3.93Å; R1434-E1901 PolarHBondContact NH1-OE1 3.11Å; R1434-E1901 IonicContact NH1-OE2 3Å; R1434-E1901 PolarHBondContact NH1-OE2 2.94Å; R1434-E1901 IonicContact NH2-OE2 2.73Å; R1434-E1901 PolarHBondContact NH2-OE2 2.94Å; S1897-E1901 WeakPolarHBondContact O-CB 3.29Å; S1897-E1901 PolarHBondContact O-N 2.94Å; F1899-E1901 PolarHBondContact O-N 2.8Å; E1901-L1903 PolarHBondContact O-N 3.25Å; E1901-K1904 PolarHBondContact O-N 3.38Å; E1901-A1905 WeakPolarHBondContact O-CB 3.48Å; E1901-A1905 PolarHBondContact O-N 3.32Å
1902	R	36.8	Very low	34.6	Very low	106 Å²	106	94.5 Å²	94.5	40%	0.4	49%	0.488	S	S	.	.	H	α-helix	trans	-60.9	-45	179.6	-83.2	177.8	152.9	175.1	-7.9	111.3	W1380 V1898 F1899 A1905 T1906	W1380-R1902 VanDerWaalsContact CH2-CZ 3.47Å; W1380-R1902 VanDerWaalsContact CZ2-NH2 3.26Å; V1898-R1902 WeakPolarHBondContact O-CB 3.48Å; V1898-R1902 PolarHBondContact O-N 3.1Å; F1899-R1902 PolarHBondContact O-N 3.18Å; R1902-A1905 PolarHBondContact O-N 3.3Å; R1902-T1906 PolarHBondContact O-N 3.1Å; R1902-T1906 PolarHBondContact O-OG1 3.03Å
1903	L	38.5	Very low	34.5	Very low	36 Å²	36	93.4 Å²	93.4	19%	0.188	48%	0.479	C	S	.	.	H	α-helix	trans	-67.4	-38.8	-178.3	-162.2	149.1	0	0	0	111.9	L1872 F1899 H1900 E1901 T1906 I1907	L1872-L1903 HydrophobicContact CD1-CD2 3.79Å; L1872-L1903 HydrophobicContact CD2-CD2 4.06Å; L1872-L1903 HydrophobicContact CG-CD2 4.5Å; F1899-L1903 HydrophobicContact CE1-CD1 3.83Å; F1899-L1903 HydrophobicContact CE2-CD1 4.32Å; F1899-L1903 HydrophobicContact CZ-CD1 3.61Å; F1899-L1903 VanDerWaalsContact O-CB 3.31Å; F1899-L1903 WeakPolarHBondContact O-CB 3.38Å; F1899-L1903 PolarHBondContact O-N 3.47Å; H1900-L1903 PolarHBondContact O-N 3.29Å; E1901-L1903 PolarHBondContact O-N 3.25Å; L1903-T1906 PolarHBondContact O-N 3.2Å; L1903-I1907 HydrophobicContact CD2-CD1 3.6Å; L1903-I1907 HydrophobicContact CD2-CG1 4.4Å; L1903-I1907 WeakPolarHBondContact O-CG1 3.49Å; L1903-I1907 PolarHBondContact O-N 2.95Å
1904	K	39.3	Very low	34.5	Very low	139 Å²	139	94.9 Å²	94.9	60%	0.604	48%	0.483	S	S	*	.	H	α-helix	trans	-61.5	-42.8	171.2	-173.4	179.6	-178.3	-175.6	0	111.7	L1872 H1900 E1901 G1908	L1872-K1904 HydrophobicContact CD1-CB 4.25Å; H1900-K1904 WeakPolarHBondContact O-CB 3.45Å; H1900-K1904 PolarHBondContact O-N 3.09Å; E1901-K1904 PolarHBondContact O-N 3.38Å; K1904-G1908 PolarHBondContact O-N 2.98Å
1905	A	38.7	Very low	34.2	Very low	53 Å²	53	89.4 Å²	89.4	44%	0.438	46%	0.461	S	S	.	.	H	α-helix	trans	-67.6	-43	176.3	0	0	0	0	0	113	E1901 R1902 G1908 L1909	E1901-A1905 WeakPolarHBondContact O-CB 3.48Å; E1901-A1905 PolarHBondContact O-N 3.32Å; R1902-A1905 PolarHBondContact O-N 3.3Å; A1905-G1908 PolarHBondContact O-N 3.36Å; A1905-L1909 PolarHBondContact O-N 2.84Å
1906	T	35.3	Very low	33.8	Very low	72 Å²	72	89.4 Å²	89.4	44%	0.442	46%	0.463	S	S	.	.	H	α-helix	trans	-66.2	-42.6	179.2	-56.3	0	0	0	0	112.3	R1902 L1903 G1908 L1909 L1910	R1902-T1906 PolarHBondContact O-N 3.1Å; R1902-T1906 PolarHBondContact O-OG1 3.03Å; L1903-T1906 PolarHBondContact O-N 3.2Å; T1906-G1908 VanDerWaalsContact C-N 3.33Å; T1906-L1909 PolarHBondContact O-N 2.94Å; T1906-L1910 PolarHBondContact O-N 2.88Å; T1906-L1910 VanDerWaalsContact O-N 3.08Å
1907	I	35.9	Very low	33.4	Very low	35 Å²	35	89.8 Å²	89.8	18%	0.179	47%	0.465	C	S	.	.	H	α-helix	trans	-67.6	-36.1	175.4	-67.8	-179.8	0	0	0	110.8	I1826 L1872 L1903 L1910 I1911	I1826-I1907 HydrophobicContact CD1-CD1 3.99Å; L1872-I1907 HydrophobicContact CD1-CD1 4.28Å; L1872-I1907 HydrophobicContact CD2-CD1 3.95Å; L1903-I1907 HydrophobicContact CD2-CD1 3.6Å; L1903-I1907 HydrophobicContact CD2-CG1 4.4Å; L1903-I1907 WeakPolarHBondContact O-CG1 3.49Å; L1903-I1907 PolarHBondContact O-N 2.95Å; I1907-L1910 PolarHBondContact O-N 2.92Å; I1907-I1911 HydrophobicContact CG2-CD1 4.12Å; I1907-I1911 WeakPolarHBondContact O-CG1 3.38Å; I1907-I1911 PolarHBondContact O-N 2.74Å
1908	G	32.6	Very low	32.9	Very low	26 Å²	26	93 Å²	93	27%	0.268	48%	0.477	S	S	.	.	H	α-helix	trans	-56.3	-53	168.6	0	0	0	0	0	112.6	K1904 A1905 T1906 L1910 I1911 F1912	K1904-G1908 PolarHBondContact O-N 2.98Å; A1905-G1908 PolarHBondContact O-N 3.36Å; T1906-G1908 VanDerWaalsContact C-N 3.33Å; G1908-L1910 VanDerWaalsContact C-N 3.29Å; G1908-L1910 PolarHBondContact O-N 3.45Å; G1908-I1911 PolarHBondContact O-N 3.11Å; G1908-F1912 WeakPolarHBondContact O-CB 3.39Å; G1908-F1912 WeakPolarHBondContact O-CD2 3.17Å; G1908-F1912 PolarHBondContact O-N 3.46Å
1909	L	31.8	Very low	32.5	Very low	128 Å²	128	96.3 Å²	96.3	67%	0.67	50%	0.497	S	S	*	.	H	α-helix	trans	-59	-35	179.3	-84.2	161.4	0	0	0	113.7	A1905 T1906 C1913	A1905-L1909 PolarHBondContact O-N 2.84Å; T1906-L1909 PolarHBondContact O-N 2.94Å; L1909-C1913 PolarHBondContact O-SG 3.43Å
1910	L	29.9	Very low	32.1	Very low	121 Å²	121	99.7 Å²	99.7	63%	0.634	51%	0.509	S	S	*	.	H	α-helix	trans	-65.7	-36	174.1	-84.1	161.8	0	0	0	112.8	T1906 I1907 G1908	T1906-L1910 PolarHBondContact O-N 2.88Å; T1906-L1910 VanDerWaalsContact O-N 3.08Å; I1907-L1910 PolarHBondContact O-N 2.92Å; G1908-L1910 VanDerWaalsContact C-N 3.29Å; G1908-L1910 PolarHBondContact O-N 3.45Å
1911	I	33	Very low	31.7	Very low	96 Å²	96	100.7 Å²	100.7	49%	0.492	52%	0.519	S	S	.	.	H	α-helix	trans	-79.3	-35.2	177.8	-65.4	168.2	0	0	0	111.5	F1870 I1907 G1908 C1913	F1870-I1911 HydrophobicContact CE1-CD1 4.05Å; F1870-I1911 HydrophobicContact CZ-CD1 4.02Å; I1907-I1911 HydrophobicContact CG2-CD1 4.12Å; I1907-I1911 WeakPolarHBondContact O-CG1 3.38Å; I1907-I1911 PolarHBondContact O-N 2.74Å; G1908-I1911 PolarHBondContact O-N 3.11Å; I1911-C1913 VanDerWaalsContact C-N 3.34Å; I1911-C1913 PolarHBondContact O-N 2.74Å
1912	F	26.4	Very low	31.4	Very low	145 Å²	145	98 Å²	98	64%	0.636	51%	0.509	S	S	*	.			trans	-89.3	14.8	-172.7	-85	-97.1	0	0	0	115.2	G1908 K1914	G1908-F1912 WeakPolarHBondContact O-CB 3.39Å; G1908-F1912 WeakPolarHBondContact O-CD2 3.17Å; G1908-F1912 PolarHBondContact O-N 3.46Å; F1912-K1914 PolarHBondContact O-N 3.31Å
1913	C	25.2	Very low	31.3	Very low	90 Å²	90	101.2 Å²	101.2	61%	0.608	53%	0.528	S	S	*	.			trans	-61.7	109.1	176	-90.1	0	0	0	0	111.3	L1909 I1911 I1915	L1909-C1913 PolarHBondContact O-SG 3.43Å; I1911-C1913 VanDerWaalsContact C-N 3.34Å; I1911-C1913 PolarHBondContact O-N 2.74Å; C1913-I1915 VanDerWaalsContact C-N 3.31Å; C1913-I1915 PolarHBondContact O-N 3.17Å
1914	K	24.8	Very low	31.2	Very low	209 Å²	209	102.2 Å²	102.2	91%	0.909	54%	0.538	S	S	*	.			trans	-68.2	72	-169.5	-167.3	173.5	-176.8	171.9	0	113.7	F1912 N1916	F1912-K1914 PolarHBondContact O-N 3.31Å; K1914-N1916 PolarHBondContact O-N 3.44Å
1915	I	28	Very low	31.1	Very low	74 Å²	74	97.4 Å²	97.4	38%	0.379	52%	0.519	S	S	.	.			trans	-63.4	122.9	169.9	-61.5	174.9	0	0	0	108.3	C1913 M1917 L1928 L1932	C1913-I1915 VanDerWaalsContact C-N 3.31Å; C1913-I1915 PolarHBondContact O-N 3.17Å; I1915-M1917 HydrophobicContact CG2-SD 4Å; I1915-M1917 PolarHBondContact O-N 2.97Å; I1915-M1917 VanDerWaalsContact O-N 3.09Å; I1915-L1928 HydrophobicContact CD1-CD1 4.33Å; I1915-L1932 HydrophobicContact CD1-CD2 4.27Å
1916	N	25.3	Very low	31.2	Very low	108 Å²	108	97 Å²	97	58%	0.578	52%	0.52	S	S	*	.			trans	-74.7	100.5	175.4	-171.2	-1.5	0	0	0	110.3	K1914 D1918	K1914-N1916 PolarHBondContact O-N 3.44Å; N1916-D1918 PolarHBondContact O-N 3Å; N1916-D1918 PolarHBondContact OD1-N 2.95Å; N1916-D1918 PolarHBondContact OD1-OD2 3.04Å
1917	M	26.8	Very low	31.8	Very low	95 Å²	95	96.1 Å²	96.1	47%	0.468	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-74.4	-5.9	-173.3	-64.6	-66.9	-104.2	0	0	114.2	I1915 T1919 Y1920	I1915-M1917 HydrophobicContact CG2-SD 4Å; I1915-M1917 PolarHBondContact O-N 2.97Å; I1915-M1917 VanDerWaalsContact O-N 3.09Å; M1917-T1919 PolarHBondContact O-N 3.26Å; M1917-Y1920 PolarHBondContact O-N 2.83Å
1918	D	26.5	Very low	32.1	Very low	146 Å²	146	96.5 Å²	96.5	78%	0.781	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-63.3	-6.9	-178.1	-70.5	-15.9	0	0	0	114.7	N1916	N1916-D1918 PolarHBondContact O-N 3Å; N1916-D1918 PolarHBondContact OD1-N 2.95Å; N1916-D1918 PolarHBondContact OD1-OD2 3.04Å
1919	T	30.1	Very low	32.6	Very low	126 Å²	126	98.8 Å²	98.8	77%	0.773	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-128	-10.3	-175.5	49.8	0	0	0	0	115.6	M1917	M1917-T1919 PolarHBondContact O-N 3.26Å
1920	Y	28.1	Very low	33.4	Very low	140 Å²	140	97.4 Å²	97.4	55%	0.549	51%	0.51	S	S	.	.			trans	-155.4	123.4	179.7	-156.4	-106.4	0	0	0	112.2	M1917	M1917-Y1920 PolarHBondContact O-N 2.83Å
1921	V	32	Very low	34.3	Very low	84 Å²	84	93.2 Å²	93.2	51%	0.509	49%	0.49	S	S	.	.			trans	-107.1	106.7	173	-179.3	0	0	0	0	107.7	H1923	V1921-H1923 PolarHBondContact O-N 3.28Å
1922	P	34.2	Very low	34.6	Very low	28 Å²	28	92.7 Å²	92.7	18%	0.182	49%	0.487	C	S	.	.			trans	-65.7	134.3	176	27.6	-33.2	0	0	0	109.8	S1924 D1927 L1928	P1922-S1924 VanDerWaalsContact C-N 3.32Å; P1922-D1927 HydrophobicContact CB-CB 3.99Å; P1922-L1928 HydrophobicContact CB-CB 4.18Å; P1922-L1928 HydrophobicContact CG-CB 4.29Å; P1922-L1928 HydrophobicContact CG-CD1 4.32Å
1923	H	34.3	Very low	35.5	Very low	175 Å²	175	89.1 Å²	89.1	81%	0.81	48%	0.478	S	S	*	.	S	Bend	trans	-79.3	-15.2	-177.5	-70.7	-56	0	0	0	113.6	V1921 D1927	V1921-H1923 PolarHBondContact O-N 3.28Å; H1923-D1927 PolarHBondContact N-OD2 3.36Å
1924	S	38.2	Very low	36.5	Very low	57 Å²	57	92.2 Å²	92.2	40%	0.399	48%	0.477	S	S	.	.	S	Bend	trans	-152.9	165.9	176.1	68.7	0	0	0	0	111.4	P1922 G1926 D1927 L1928	P1922-S1924 VanDerWaalsContact C-N 3.32Å; S1924-G1926 PolarHBondContact O-N 3.24Å; S1924-G1926 PolarHBondContact OG-N 3.13Å; S1924-D1927 WeakPolarHBondContact CB-OD2 3.33Å; S1924-D1927 PolarHBondContact N-OD2 2.93Å; S1924-D1927 PolarHBondContact O-N 2.98Å; S1924-D1927 VanDerWaalsContact O-N 3.09Å; S1924-D1927 PolarHBondContact OG-N 3.3Å; S1924-D1927 PolarHBondContact OG-OD2 2.85Å; S1924-L1928 PolarHBondContact O-N 2.72Å
1925	L	35.9	Very low	37.3	Very low	38 Å²	38	87.4 Å²	87.4	20%	0.199	46%	0.456	C	S	.	.	H	α-helix	trans	-60.2	-27.4	167.4	-174.6	60.5	0	0	0	111.5	I1822 I1854 L1928 I1929	I1822-L1925 HydrophobicContact CD1-CD2 3.93Å; I1822-L1925 HydrophobicContact CD1-CG 4.41Å; I1854-L1925 HydrophobicContact CG2-CD2 4.23Å; L1925-L1928 HydrophobicContact CD1-CD2 4.06Å; L1925-L1928 PolarHBondContact O-N 2.64Å; L1925-I1929 HydrophobicContact CG-CD1 4.12Å; L1925-I1929 WeakPolarHBondContact O-CB 3.44Å; L1925-I1929 VanDerWaalsContact O-CG1 3.29Å; L1925-I1929 WeakPolarHBondContact O-CG1 3.34Å; L1925-I1929 PolarHBondContact O-N 3.43Å
1926	G	41.4	Very low	37.6	Very low	45 Å²	45	91.7 Å²	91.7	46%	0.464	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-43.6	170.8	0	0	0	0	0	112.8	S1924 I1929 E1930	S1924-G1926 PolarHBondContact O-N 3.24Å; S1924-G1926 PolarHBondContact OG-N 3.13Å; G1926-I1929 PolarHBondContact O-N 3.42Å; G1926-E1930 WeakPolarHBondContact O-CB 3.43Å; G1926-E1930 PolarHBondContact O-N 3.37Å
1927	D	47.4	Very low	38.1	Very low	53 Å²	53	89.2 Å²	89.2	28%	0.283	46%	0.455	S	S	.	.	H	α-helix	trans	-68	-34.9	175.1	-58.7	-72.5	0	0	0	111.8	P1922 H1923 S1924 T1931	P1922-D1927 HydrophobicContact CB-CB 3.99Å; H1923-D1927 PolarHBondContact N-OD2 3.36Å; S1924-D1927 WeakPolarHBondContact CB-OD2 3.33Å; S1924-D1927 PolarHBondContact N-OD2 2.93Å; S1924-D1927 PolarHBondContact O-N 2.98Å; S1924-D1927 VanDerWaalsContact O-N 3.09Å; S1924-D1927 PolarHBondContact OG-N 3.3Å; S1924-D1927 PolarHBondContact OG-OD2 2.85Å; D1927-T1931 WeakPolarHBondContact O-CB 3.49Å; D1927-T1931 PolarHBondContact O-N 3.11Å; D1927-T1931 PolarHBondContact O-OG1 2.72Å
1928	L	43	Very low	38.6	Very low	42 Å²	42	88.3 Å²	88.3	22%	0.22	46%	0.455	C	S	.	.	H	α-helix	trans	-64.7	-46.6	173.7	-178.2	66	0	0	0	110.9	I1915 P1922 S1924 L1925 T1931 L1932	I1915-L1928 HydrophobicContact CD1-CD1 4.33Å; P1922-L1928 HydrophobicContact CB-CB 4.18Å; P1922-L1928 HydrophobicContact CG-CB 4.29Å; P1922-L1928 HydrophobicContact CG-CD1 4.32Å; S1924-L1928 PolarHBondContact O-N 2.72Å; L1925-L1928 HydrophobicContact CD1-CD2 4.06Å; L1925-L1928 PolarHBondContact O-N 2.64Å; L1928-T1931 PolarHBondContact O-N 3.14Å; L1928-L1932 HydrophobicContact CD1-CD1 4.33Å; L1928-L1932 HydrophobicContact CG-CD1 4.08Å; L1928-L1932 WeakPolarHBondContact O-CB 3.3Å; L1928-L1932 WeakPolarHBondContact O-CG 3.46Å; L1928-L1932 PolarHBondContact O-N 2.99Å
1929	I	42.8	Very low	38.8	Very low	74 Å²	74	91 Å²	91	38%	0.379	45%	0.454	S	S	.	.	H	α-helix	trans	-64.9	-47.1	176.5	-69.2	167.7	0	0	0	110.4	I1822 L1925 G1926 T1931 L1932 T1933	I1822-I1929 HydrophobicContact CD1-CD1 3.42Å; I1822-I1929 VanDerWaalsContact CD1-CD1 3.42Å; L1925-I1929 HydrophobicContact CG-CD1 4.12Å; L1925-I1929 WeakPolarHBondContact O-CB 3.44Å; L1925-I1929 VanDerWaalsContact O-CG1 3.29Å; L1925-I1929 WeakPolarHBondContact O-CG1 3.34Å; L1925-I1929 PolarHBondContact O-N 3.43Å; G1926-I1929 PolarHBondContact O-N 3.42Å; I1929-T1931 VanDerWaalsContact C-N 3.26Å; I1929-T1931 PolarHBondContact O-N 2.9Å; I1929-L1932 PolarHBondContact O-N 3.26Å; I1929-L1932 VanDerWaalsContact O-N 3.14Å; I1929-T1933 WeakPolarHBondContact O-CB 3.48Å; I1929-T1933 PolarHBondContact O-N 3.43Å; I1929-T1933 PolarHBondContact O-OG1 2.7Å; I1929-T1933 VanDerWaalsContact O-OG1 3.05Å
1930	E	47.7	Very low	38.8	Very low	99 Å²	99	90.9 Å²	90.9	46%	0.463	45%	0.448	S	S	.	.	H	α-helix	trans	-63.3	-32.6	176.4	-170	175.1	160.5	0	0	111.7	G1926 R1934	G1926-E1930 WeakPolarHBondContact O-CB 3.43Å; G1926-E1930 PolarHBondContact O-N 3.37Å; E1930-R1934 HydrophobicContact CG-CG 4.37Å; E1930-R1934 WeakPolarHBondContact O-CB 3.35Å; E1930-R1934 WeakPolarHBondContact O-CG 3.37Å; E1930-R1934 PolarHBondContact O-N 3.29Å; E1930-R1934 IonicContact OE1-CZ 3.47Å; E1930-R1934 IonicContact OE1-NE 2.74Å; E1930-R1934 PolarHBondContact OE1-NE 3.49Å; E1930-R1934 VanDerWaalsContact OE1-NE 3.12Å; E1930-R1934 IonicContact OE1-NH2 3.29Å; E1930-R1934 PolarHBondContact OE1-NH2 2.96Å
1931	T	48.7	Very low	38.9	Very low	34 Å²	34	93.4 Å²	93.4	21%	0.209	46%	0.457	C	S	.	.	H	α-helix	trans	-71.3	-38	173.6	-61.2	0	0	0	0	112.3	D1927 L1928 I1929 K1935	D1927-T1931 WeakPolarHBondContact O-CB 3.49Å; D1927-T1931 PolarHBondContact O-N 3.11Å; D1927-T1931 PolarHBondContact O-OG1 2.72Å; L1928-T1931 PolarHBondContact O-N 3.14Å; I1929-T1931 VanDerWaalsContact C-N 3.26Å; I1929-T1931 PolarHBondContact O-N 2.9Å; T1931-K1935 HydrophobicContact CG2-CD 4.39Å; T1931-K1935 WeakPolarHBondContact O-CB 3.28Å; T1931-K1935 VanDerWaalsContact O-CG 3.31Å; T1931-K1935 WeakPolarHBondContact O-CG 3.49Å; T1931-K1935 PolarHBondContact O-N 3.48Å
1932	L	40.3	Very low	38.7	Very low	84 Å²	84	94.3 Å²	94.3	44%	0.44	46%	0.462	S	S	.	.	H	α-helix	trans	-70.3	-48.6	175.4	-75.6	170	0	0	0	110.9	I1915 L1928 I1929 R1934 K1935 Y1936	I1915-L1932 HydrophobicContact CD1-CD2 4.27Å; L1928-L1932 HydrophobicContact CD1-CD1 4.33Å; L1928-L1932 HydrophobicContact CG-CD1 4.08Å; L1928-L1932 WeakPolarHBondContact O-CB 3.3Å; L1928-L1932 WeakPolarHBondContact O-CG 3.46Å; L1928-L1932 PolarHBondContact O-N 2.99Å; I1929-L1932 PolarHBondContact O-N 3.26Å; I1929-L1932 VanDerWaalsContact O-N 3.14Å; L1932-R1934 PolarHBondContact O-N 2.81Å; L1932-K1935 CarbonylContact O-C 3.59Å; L1932-K1935 WeakPolarHBondContact O-CA 3.12Å; L1932-K1935 WeakPolarHBondContact O-CB 3.24Å; L1932-K1935 PolarHBondContact O-N 2.99Å; L1932-Y1936 PolarHBondContact O-N 2.96Å
1933	T	44.3	Very low	38.2	Very low	70 Å²	70	100 Å²	100	43%	0.429	49%	0.49	S	S	.	.	H	α-helix	trans	-58.9	-45.5	173.2	-57.7	0	0	0	0	110.8	I1929 K1935 Y1936 D1937	I1929-T1933 WeakPolarHBondContact O-CB 3.48Å; I1929-T1933 PolarHBondContact O-N 3.43Å; I1929-T1933 PolarHBondContact O-OG1 2.7Å; I1929-T1933 VanDerWaalsContact O-OG1 3.05Å; T1933-K1935 VanDerWaalsContact C-N 3.32Å; T1933-K1935 PolarHBondContact O-N 2.74Å; T1933-Y1936 CarbonylContact O-C 3.6Å; T1933-Y1936 WeakPolarHBondContact O-CA 3.35Å; T1933-Y1936 WeakPolarHBondContact O-CB 3.43Å; T1933-Y1936 PolarHBondContact O-N 2.91Å; T1933-Y1936 VanDerWaalsContact O-N 3.08Å; T1933-D1937 WeakPolarHBondContact O-CB 3.5Å; T1933-D1937 PolarHBondContact O-N 3Å
1934	R	46	Very low	37.8	Very low	156 Å²	156	97.3 Å²	97.3	59%	0.589	49%	0.488	S	S	*	.	H	α-helix	trans	-62.2	-34.4	172.1	-78.5	-178.3	-176.4	-167.2	4.4	112.9	E1930 L1932 Y1936 T1938	E1930-R1934 HydrophobicContact CG-CG 4.37Å; E1930-R1934 WeakPolarHBondContact O-CB 3.35Å; E1930-R1934 WeakPolarHBondContact O-CG 3.37Å; E1930-R1934 PolarHBondContact O-N 3.29Å; E1930-R1934 IonicContact OE1-CZ 3.47Å; E1930-R1934 IonicContact OE1-NE 2.74Å; E1930-R1934 PolarHBondContact OE1-NE 3.49Å; E1930-R1934 VanDerWaalsContact OE1-NE 3.12Å; E1930-R1934 IonicContact OE1-NH2 3.29Å; E1930-R1934 PolarHBondContact OE1-NH2 2.96Å; L1932-R1934 PolarHBondContact O-N 2.81Å; R1934-Y1936 VanDerWaalsContact C-N 3.33Å; R1934-T1938 VanDerWaalsContact O-CB 3.27Å; R1934-T1938 WeakPolarHBondContact O-CB 3.26Å; R1934-T1938 VanDerWaalsContact O-CG2 3.27Å; R1934-T1938 WeakPolarHBondContact O-CG2 3.25Å; R1934-T1938 PolarHBondContact O-N 2.75Å; R1934-T1938 PolarHBondContact O-OG1 3.45Å
1935	K	41.7	Very low	37.1	Very low	108 Å²	108	100.1 Å²	100.1	47%	0.47	51%	0.508	S	S	.	.	H	α-helix	trans	-71.5	-27.8	173.4	-80.8	175.8	178	176.5	0	112.7	T1931 L1932 T1933 T1938 R1939	T1931-K1935 HydrophobicContact CG2-CD 4.39Å; T1931-K1935 WeakPolarHBondContact O-CB 3.28Å; T1931-K1935 VanDerWaalsContact O-CG 3.31Å; T1931-K1935 WeakPolarHBondContact O-CG 3.49Å; T1931-K1935 PolarHBondContact O-N 3.48Å; L1932-K1935 CarbonylContact O-C 3.59Å; L1932-K1935 WeakPolarHBondContact O-CA 3.12Å; L1932-K1935 WeakPolarHBondContact O-CB 3.24Å; L1932-K1935 PolarHBondContact O-N 2.99Å; T1933-K1935 VanDerWaalsContact C-N 3.32Å; T1933-K1935 PolarHBondContact O-N 2.74Å; K1935-T1938 WeakPolarHBondContact CA-OG1 3.3Å; K1935-R1939 WeakPolarHBondContact O-CB 3.47Å; K1935-R1939 WeakPolarHBondContact O-CD 3.38Å; K1935-R1939 WeakPolarHBondContact O-CG 3.44Å; K1935-R1939 PolarHBondContact O-N 2.88Å
1936	Y	34.6	Very low	36.7	Very low	163 Å²	163	106 Å²	106	64%	0.639	54%	0.539	S	S	*	.	H	α-helix	trans	-73.9	-54.4	172.2	-138.8	-97.1	0	0	0	110.5	L1932 T1933 R1934 T1938 R1939 L1940	L1932-Y1936 PolarHBondContact O-N 2.96Å; T1933-Y1936 CarbonylContact O-C 3.6Å; T1933-Y1936 WeakPolarHBondContact O-CA 3.35Å; T1933-Y1936 WeakPolarHBondContact O-CB 3.43Å; T1933-Y1936 PolarHBondContact O-N 2.91Å; T1933-Y1936 VanDerWaalsContact O-N 3.08Å; R1934-Y1936 VanDerWaalsContact C-N 3.33Å; Y1936-T1938 PolarHBondContact O-N 3.42Å; Y1936-R1939 PolarHBondContact O-N 3.15Å; Y1936-L1940 HydrophobicContact CD1-CD1 3.68Å; Y1936-L1940 HydrophobicContact CE1-CD1 4.07Å; Y1936-L1940 WeakPolarHBondContact O-CB 3.08Å; Y1936-L1940 WeakPolarHBondContact O-CG 3.46Å; Y1936-L1940 PolarHBondContact O-N 3.08Å
1937	D	36.7	Very low	36	Very low	56 Å²	56	113.1 Å²	113.1	30%	0.299	56%	0.56	S	S	.	*	H	α-helix	trans	-56.3	-43	174.9	-94.2	-57.1	0	0	0	112.6	T1933 L1940 R1941	T1933-D1937 WeakPolarHBondContact O-CB 3.5Å; T1933-D1937 PolarHBondContact O-N 3Å; D1937-L1940 CarbonylContact O-C 3.41Å; D1937-L1940 PolarHBondContact O-N 3.42Å; D1937-R1941 WeakPolarHBondContact O-CB 3.35Å; D1937-R1941 WeakPolarHBondContact O-CD 3.07Å; D1937-R1941 WeakPolarHBondContact O-CG 3.47Å; D1937-R1941 PolarHBondContact O-N 3.21Å; D1937-R1941 IonicContact OD1-CZ 2.67Å; D1937-R1941 IonicContact OD1-NE 2.7Å; D1937-R1941 PolarHBondContact OD1-NE 2.89Å; D1937-R1941 IonicContact OD1-NH2 2.84Å; D1937-R1941 PolarHBondContact OD1-NH2 3.46Å
1938	T	35.8	Very low	35	Very low	77 Å²	77	118.8 Å²	118.8	47%	0.472	59%	0.585	S	S	.	*	H	α-helix	trans	-70.2	-39.2	178.2	48.1	0	0	0	0	111.7	R1934 K1935 Y1936 L1940 R1941 T1942	R1934-T1938 VanDerWaalsContact O-CB 3.27Å; R1934-T1938 WeakPolarHBondContact O-CB 3.26Å; R1934-T1938 VanDerWaalsContact O-CG2 3.27Å; R1934-T1938 WeakPolarHBondContact O-CG2 3.25Å; R1934-T1938 PolarHBondContact O-N 2.75Å; R1934-T1938 PolarHBondContact O-OG1 3.45Å; K1935-T1938 WeakPolarHBondContact CA-OG1 3.3Å; Y1936-T1938 PolarHBondContact O-N 3.42Å; T1938-L1940 VanDerWaalsContact C-N 3.29Å; T1938-L1940 PolarHBondContact O-N 3.23Å; T1938-R1941 CarbonylContact O-C 3.53Å; T1938-R1941 PolarHBondContact O-N 3.38Å; T1938-R1941 VanDerWaalsContact O-N 3.14Å; T1938-T1942 WeakPolarHBondContact O-CG2 3.49Å; T1938-T1942 PolarHBondContact O-N 3.24Å; T1938-T1942 PolarHBondContact O-OG1 3.23Å; T1938-T1942 VanDerWaalsContact O-OG1 3.05Å
1939	R	32	Very low	34.2	Very low	202 Å²	202	123.5 Å²	123.5	76%	0.762	62%	0.616	S	S	*	*	H	α-helix	trans	-63	-35.1	171.9	-76.3	175	172.1	-166.5	-4.7	112.6	K1935 Y1936 R1941	K1935-R1939 WeakPolarHBondContact O-CB 3.47Å; K1935-R1939 WeakPolarHBondContact O-CD 3.38Å; K1935-R1939 WeakPolarHBondContact O-CG 3.44Å; K1935-R1939 PolarHBondContact O-N 2.88Å; Y1936-R1939 PolarHBondContact O-N 3.15Å; R1939-R1941 VanDerWaalsContact C-N 3.35Å
1940	L	30.7	Very low	33.4	Very low	124 Å²	124	127 Å²	127	65%	0.649	64%	0.636	S	S	*	*	H	α-helix	trans	-77.9	-14.3	174.8	-71.9	167.7	0	0	0	114	Y1936 D1937 T1938	Y1936-L1940 HydrophobicContact CD1-CD1 3.68Å; Y1936-L1940 HydrophobicContact CE1-CD1 4.07Å; Y1936-L1940 WeakPolarHBondContact O-CB 3.08Å; Y1936-L1940 WeakPolarHBondContact O-CG 3.46Å; Y1936-L1940 PolarHBondContact O-N 3.08Å; D1937-L1940 CarbonylContact O-C 3.41Å; D1937-L1940 PolarHBondContact O-N 3.42Å; T1938-L1940 VanDerWaalsContact C-N 3.29Å; T1938-L1940 PolarHBondContact O-N 3.23Å
1941	R	28.5	Very low	32.3	Very low	193 Å²	193	127.9 Å²	127.9	73%	0.728	64%	0.643	S	S	*	*	H	α-helix	trans	-113.9	1.2	-178.1	-66.2	172.8	-162	-126.7	5.9	114.4	D1937 T1938 R1939	D1937-R1941 WeakPolarHBondContact O-CB 3.35Å; D1937-R1941 WeakPolarHBondContact O-CD 3.07Å; D1937-R1941 WeakPolarHBondContact O-CG 3.47Å; D1937-R1941 PolarHBondContact O-N 3.21Å; D1937-R1941 IonicContact OD1-CZ 2.67Å; D1937-R1941 IonicContact OD1-NE 2.7Å; D1937-R1941 PolarHBondContact OD1-NE 2.89Å; D1937-R1941 IonicContact OD1-NH2 2.84Å; D1937-R1941 PolarHBondContact OD1-NH2 3.46Å; T1938-R1941 CarbonylContact O-C 3.53Å; T1938-R1941 PolarHBondContact O-N 3.38Å; T1938-R1941 VanDerWaalsContact O-N 3.14Å; R1939-R1941 VanDerWaalsContact C-N 3.35Å
1942	T	27.8	Very low	31.3	Very low	102 Å²	102	133.7 Å²	133.7	63%	0.626	67%	0.666	S	S	*	*			trans	-119	57.4	174.4	66.3	0	0	0	0	112.2	T1938	T1938-T1942 WeakPolarHBondContact O-CG2 3.49Å; T1938-T1942 PolarHBondContact O-N 3.24Å; T1938-T1942 PolarHBondContact O-OG1 3.23Å; T1938-T1942 VanDerWaalsContact O-OG1 3.05Å
1943	I	25.2	Very low	30.5	Very low	147 Å²	147	137.4 Å²	137.4	75%	0.754	68%	0.681	S	S	*	*			trans	-110.1	100.4	157.4	-60	179.3	0	0	0	106.3
1944	P	25.1	Very low	29.6	Very low	119 Å²	119	139.6 Å²	139.6	77%	0.773	70%	0.698	S	S	*	*			trans	-69.3	135	179.9	-18.8	32.8	0	0	0	111.6
1945	S	24.6	Very low	28.5	Very low	116 Å²	116	137 Å²	137	81%	0.811	70%	0.704	S	S	*	*			trans	-70.9	138.2	173.2	52.5	0	0	0	0	112.1
1946	N	25.7	Very low	27.8	Very low	162 Å²	162	135.9 Å²	135.9	87%	0.866	71%	0.714	S	S	*	*			trans	-6.8	133.7	166.9	-59.9	-15.3	0	0	0	118.8
1947	Q	27.6	Very low	27.4	Very low	194 Å²	194	134.2 Å²	134.2	91%	0.907	72%	0.717	S	S	*	*			trans	-147.1	150.5	137.9	-117.3	169.8	9.2	0	0	110.9
1948	Q	26.1	Very low	26.8	Very low	173 Å²	173	141.7 Å²	141.7	81%	0.808	74%	0.741	S	S	*	*			trans	-79.7	156.7	-175.6	-56.3	125.9	-59.2	0	0	111.9
1949	T	26.8	Very low	26.3	Very low	141 Å²	141	143.1 Å²	143.1	87%	0.865	75%	0.754	S	S	*	*				-168.3	155.4	121.4	13.2	0	0	0	0	110.7
1950	N	25.5	Very low	26.1	Very low	148 Å²	148	142 Å²	142	79%	0.791	75%	0.754	S	S	*	*			trans	-93.3	174.8	-178.4	-70.1	-16.1	0	0	0	112.1
1951	D	25.3	Very low	25.8	Very low	116 Å²	116	141.1 Å²	141.1	62%	0.62	76%	0.758	S	S	*	*			trans	82.4	125.3	143.7	-84.9	15.6	0	0	0	122.6
1952	K	27.5	Very low	25.6	Very low	157 Å²	157	141.3 Å²	141.3	68%	0.683	76%	0.761	S	S	*	*			trans	80.9	108.2	132.1	-71	169	-179.7	138.6	0	121.1
1953	Q	24.2	Very low	25.3	Very low	161 Å²	161	143.5 Å²	143.5	75%	0.752	77%	0.768	S	S	*	*				75.6	133.3	121.1	-71	174.9	-57.4	0	0	121.2
1954	C	23.4	Very low	25.3	Very low	116 Å²	116	146 Å²	146	78%	0.784	77%	0.769	S	S	*	*			trans	68.5	152.4	144.7	-68.4	0	0	0	0	119.4
1955	S	23.9	Very low	25.2	Very low	102 Å²	102	147.7 Å²	147.7	71%	0.713	77%	0.771	S	S	*	*			cis	-167.8	170.4	-23.5	54.5	0	0	0	0	109.1
1956	A	26	Very low	25.3	Very low	84 Å²	84	148.9 Å²	148.9	69%	0.694	77%	0.768	S	S	*	*			trans	67.7	152.3	158.9	0	0	0	0	0	117.9
1957	N	26.3	Very low	25.3	Very low	129 Å²	129	152.4 Å²	152.4	69%	0.69	77%	0.769	S	S	*	*			cis	-158.2	150.8	-7	-124.2	-29.1	0	0	0	112.5
1958	R	25.8	Very low	25.2	Very low	213 Å²	213	151.6 Å²	151.6	80%	0.804	77%	0.765	S	S	*	*			trans	63.7	131.6	153.8	-63.8	170.8	-175.5	-174.4	-2.2	118.7
1959	S	25.3	Very low	25.2	Very low	107 Å²	107	152.5 Å²	152.5	75%	0.748	77%	0.769	S	S	*	*			cis	71.2	151.6	11	91.9	0	0	0	0	117.4
1960	K	26.2	Very low	25.1	Very low	178 Å²	178	150.8 Å²	150.8	77%	0.774	76%	0.763	S	S	*	*			cis	-89.3	-136.3	2.7	-60.1	178.2	177.1	177.4	0	112.4	Y1962	K1960-Y1962 HydrophobicContact CB-CD2 4.35Å; K1960-Y1962 HydrophobicContact CD-CD2 4.41Å
1961	S	24.8	Very low	25	Very low	105 Å²	105	150.7 Å²	150.7	73%	0.734	76%	0.761	S	S	*	*			cis	-149.7	167.6	10	-65.6	0	0	0	0	109.3
1962	Y	23.9	Very low	25	Very low	198 Å²	198	152.9 Å²	152.9	78%	0.776	77%	0.765	S	S	*	*			cis	79.9	137.2	25.9	-66.9	-60.6	0	0	0	116	K1960	K1960-Y1962 HydrophobicContact CB-CD2 4.35Å; K1960-Y1962 HydrophobicContact CD-CD2 4.41Å
1963	L	23.3	Very low	24.8	Very low	148 Å²	148	152 Å²	152	78%	0.775	76%	0.763	S	S	*	*			cis	-126.3	-107	7.9	-111.2	172.7	0	0	0	116.9
1964	Y	24.4	Very low	24.9	Very low	199 Å²	199	151 Å²	151	78%	0.78	76%	0.762	S	S	*	*			trans	-169.3	180	-138.1	-135.3	-97.8	0	0	0	118.4
1965	L	23.5	Very low	24.9	Very low	155 Å²	155	149.9 Å²	149.9	81%	0.812	76%	0.755	S	S	*	*			trans	96.6	139.1	156.9	-69.4	172	0	0	0	123.7
1966	D	27.1	Very low	25.1	Very low	141 Å²	141	151.3 Å²	151.3	75%	0.754	76%	0.76	S	S	*	*			trans	-79.4	165.7	175.9	-57.9	-84.9	0	0	0	115.8
1967	R	24.5	Very low	25.1	Very low	236 Å²	236	154.4 Å²	154.4	89%	0.891	76%	0.764	S	S	*	*				-173.5	157.4	108.4	-101.7	174.6	178.4	-177.2	-0.7	115.7
1968	H	25.2	Very low	25.1	Very low	177 Å²	177	158.1 Å²	158.1	82%	0.819	77%	0.774	S	S	*	*			trans	-45.7	149.1	173.3	-57.6	-113.2	0	0	0	114.9
1969	Q	27	Very low	25.2	Very low	192 Å²	192	156.2 Å²	156.2	90%	0.897	77%	0.774	S	S	*	*				-165	150.6	102	-104.9	169.3	-11	0	0	113.1
1970	S	23.4	Very low	25.2	Very low	104 Å²	104	155.5 Å²	155.5	73%	0.727	77%	0.769	S	S	*	*			trans	-88.1	167.3	170.6	51.6	0	0	0	0	110.8
1971	I	24.3	Very low	25.2	Very low	147 Å²	147	153.8 Å²	153.8	75%	0.754	77%	0.767	S	S	*	*			trans	166	123.1	135.1	-89	158.5	0	0	0	110.2
1972	K	24.8	Very low	25.2	Very low	161 Å²	161	155.7 Å²	155.7	70%	0.7	77%	0.767	S	S	*	*			trans	47	159.2	144.5	-69.4	-178.5	168	-80.1	0	121.5
1973	E	24.1	Very low	25.3	Very low	140 Å²	140	157.6 Å²	157.6	65%	0.654	77%	0.773	S	S	*	*			cis	175	-168.2	-16.5	-172.4	163.1	-105.8	0	0	105.6
1974	I	25.8	Very low	25.4	Very low	139 Å²	139	154.8 Å²	154.8	71%	0.713	77%	0.765	S	S	*	*			trans	72.9	95.2	161.6	-50.1	179.2	0	0	0	117.5
1975	S	24.3	Very low	25.6	Very low	92 Å²	92	152 Å²	152	64%	0.643	76%	0.764	S	S	*	*			trans	15	146.7	130.8	63.6	0	0	0	0	120.9
1976	T	27.5	Very low	25.7	Very low	133 Å²	133	148.5 Å²	148.5	82%	0.816	75%	0.753	S	S	*	*				-163	158.9	72.2	34.8	0	0	0	0	115.1
1977	L	25.1	Very low	25.7	Very low	148 Å²	148	149.7 Å²	149.7	78%	0.775	75%	0.751	S	S	*	*			trans	-66.9	152.6	178.5	-72	68.3	0	0	0	113.4
1978	K	27.3	Very low	25.9	Very low	208 Å²	208	143.9 Å²	143.9	90%	0.904	74%	0.742	S	S	*	*				-156.2	139.2	119.2	-110.4	161.4	-173.2	175.5	0	113.2
1979	Q	27.7	Very low	25.9	Very low	173 Å²	173	144.8 Å²	144.8	81%	0.808	74%	0.74	S	S	*	*			trans	-77.4	173	174.1	-64.7	170.2	-39.2	0	0	109.7
1980	S	25.3	Very low	26	Very low	91 Å²	91	143.6 Å²	143.6	64%	0.636	73%	0.732	S	S	*	*				176	177.1	54.7	55	0	0	0	0	112.8
1981	I	26.3	Very low	26.2	Very low	142 Å²	142	147 Å²	147	73%	0.728	74%	0.736	S	S	*	*			trans	68.4	101.3	163.9	-57.1	158.8	0	0	0	113
1982	I	24.6	Very low	26.4	Very low	146 Å²	146	149.8 Å²	149.8	75%	0.749	74%	0.739	S	S	*	*			cis	60.6	104	39.6	-48	178.2	0	0	0	114
1983	R	26.3	Very low	26.7	Very low	238 Å²	238	145.3 Å²	145.3	90%	0.898	74%	0.739	S	S	*	*			trans	-159.5	98.6	134.8	-114.3	168.2	-170.9	170.6	4.4	112.6
1984	S	25	Very low	27	Very low	88 Å²	88	147.2 Å²	147.2	62%	0.615	75%	0.745	S	S	*	*			trans	-64.5	166.3	150.2	44.1	0	0	0	0	111
1985	N	28.4	Very low	27.3	Very low	140 Å²	140	146.2 Å²	146.2	75%	0.749	74%	0.741	S	S	*	*			trans	-163.1	111.9	141.7	-89.2	-13.4	0	0	0	103.8
1986	S	26.6	Very low	27.7	Very low	82 Å²	82	146.3 Å²	146.3	57%	0.573	73%	0.734	S	S	*	*			cis	51.3	80.4	40.7	81.4	0	0	0	0	112.4
1987	F	26.7	Very low	27.9	Very low	166 Å²	166	143.4 Å²	143.4	73%	0.728	71%	0.711	S	S	*	*			trans	-85.1	99.2	155.3	-98.6	-81.8	0	0	0	107.8	Y433	Y433-F1987 HydrophobicContact CD2-CZ 4.06Å; Y433-F1987 HydrophobicContact CE2-CZ 4.48Å; Y433-F1987 HydrophobicContact CG-CE2 4.5Å; Y433-F1987 HydrophobicContact CG-CZ 4.39Å
1988	T	28.9	Very low	28.1	Very low	114 Å²	114	142.5 Å²	142.5	70%	0.699	70%	0.702	S	S	*	*			trans	-67.2	132.5	168	34.2	0	0	0	0	109.5	K1990	T1988-K1990 PolarHBondContact O-N 3.12Å
1989	Y	25.5	Very low	28.3	Very low	196 Å²	196	139.5 Å²	139.5	77%	0.769	70%	0.697	S	S	*	*			trans	-62	116.3	156.7	-117	-109.9	0	0	0	106.9	E1991	Y1989-E1991 HydrophobicContact CD1-CG 4.2Å
1990	K	27.2	Very low	28.8	Very low	168 Å²	168	135.5 Å²	135.5	73%	0.73	69%	0.693	S	S	*	*			trans	-102.6	99.4	157	-99	-159.6	169.9	-163.4	0	106.5	T1988 Y1992	T1988-K1990 PolarHBondContact O-N 3.12Å; K1990-Y1992 PolarHBondContact O-N 3.26Å
1991	E	27.9	Very low	29.2	Very low	175 Å²	175	141.7 Å²	141.7	82%	0.818	73%	0.727	S	S	*	*			trans	-58.2	125.8	165.4	-65.4	179.4	117.1	0	0	108.4	Y1989	Y1989-E1991 HydrophobicContact CD1-CG 4.2Å
1992	Y	29.3	Very low	29.3	Very low	205 Å²	205	141.7 Å²	141.7	80%	0.804	73%	0.727	S	S	*	*			trans	-113.4	63.8	169.1	-109.3	-70.4	0	0	0	108.4	K1990 K1994	K1990-Y1992 PolarHBondContact O-N 3.26Å; Y1992-K1994 PolarHBondContact O-N 3.44Å
1993	G	31.3	Very low	29.6	Very low	68 Å²	68	141.5 Å²	141.5	70%	0.701	73%	0.726	S	S	*	*			trans	-62.2	102.8	156.1	0	0	0	0	0	108.6
1994	K	30.9	Very low	29.8	Very low	179 Å²	179	136.1 Å²	136.1	78%	0.778	72%	0.717	S	S	*	*			trans	-65.7	164.4	141.1	-73.9	-171.6	172	-170.1	0	107.7	Y1992	Y1992-K1994 PolarHBondContact O-N 3.44Å
1995	N	32	Very low	30	Very low	119 Å²	119	138.9 Å²	138.9	64%	0.636	72%	0.723	S	S	*	*			trans	88.8	131.6	-170.9	-65	11.7	0	0	0	110.5	N1265	N1265-N1995 WeakPolarHBondContact OD1-CA 3.42Å; N1265-N1995 PolarHBondContact OD1-N 3.14Å
1996	L	31.5	Very low	30.1	Very low	94 Å²	94	138.9 Å²	138.9	49%	0.492	72%	0.721	S	S	.	*			cis	-174.3	0	12.7	-112.4	-156.2	0	0	0	105.7	N1265 S1266	N1265-L1996 VanDerWaalsContact CB-C 3.48Å; N1265-L1996 PolarHBondContact ND2-N 3.41Å; N1265-L1996 WeakPolarHBondContact O-CD2 3.36Å; S1266-L1996 VanDerWaalsContact CA-CD2 3.46Å; S1266-L1996 VanDerWaalsContact CB-CA 3.46Å; S1266-L1996 VanDerWaalsContact N-CA 3.34Å; S1266-L1996 VanDerWaalsContact N-CD2 3.3Å
1997	Q	31.3	Very low	30.4	Very low	72 Å²	72	142.7 Å²	142.7	34%	0.336	73%	0.731	S	S	.	*				0	-175	0	-154.4	57.7	98.5	0	0	117.5	N1264 N1265 S1266	N1264-Q1997 PolarHBondContact O-NE2 3.39Å; N1265-Q1997 VanDerWaalsContact C-OE1 3.28Å; N1265-Q1997 PolarHBondContact O-NE2 3.24Å; N1265-Q1997 VanDerWaalsContact O-NE2 3.16Å; N1265-Q1997 PolarHBondContact O-OE1 3.21Å; S1266-Q1997 VanDerWaalsContact C-CD 3.47Å; S1266-Q1997 VanDerWaalsContact CA-CB 3.46Å; S1266-Q1997 VanDerWaalsContact CA-CD 3.49Å; S1266-Q1997 VanDerWaalsContact N-CG 3.27Å; S1266-Q1997 VanDerWaalsContact N-N 3.2Å; S1266-Q1997 VanDerWaalsContact N-OE1 3.08Å; S1266-Q1997 WeakPolarHBondContact O-CB 3.42Å; S1266-Q1997 WeakPolarHBondContact O-CG 3.42Å; S1266-Q1997 PolarHBondContact O-OE1 2.61Å; S1266-Q1997 WeakPolarHBondContact OG-CB 3.42Å
1998	Q	30.7	Very low	30.6	Very low	128 Å²	128	141 Å²	141	60%	0.598	73%	0.731	S	S	*	*			trans	-21	172.5	148.3	-64.8	153.3	-3.9	0	0	119.5	N1264	N1264-Q1998 PolarHBondContact O-N 2.98Å
1999	N	30.7	Very low	30.8	Very low	146 Å²	146	143.1 Å²	143.1	78%	0.781	73%	0.733	S	S	*	*			cis	-137.5	133.2	17.6	-102.9	-48.2	0	0	0	113.4
2000	A	39.6	Very low	31.2	Very low	88 Å²	88	138.7 Å²	138.7	73%	0.727	73%	0.73	S	S	*	*			trans	168	119.2	144.1	0	0	0	0	0	109.8
2001	T	32.3	Very low	31.6	Very low	222 Å²	222	136 Å²	136	100%	1.362	73%	0.73	S	S	*	*			trans	49.1	0	179	61.3	0	0	0	0	116.9

Retrieved 2,001 of 2,001 residues in 299.7 ms (Link to these results)

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