A0A077ZDK5_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDK5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,113 aa.

						>A0A077ZDK5_TRITR|A0A077ZDK5
MPCSCCEQTSVHFRSLEASLQEKEQALQTLTESVQKERLQFKAQVVQLKKLIAKQQQQIDLNGGNLRSGGSSGHSSPGIEFIHLPLLNMEGEQQTKMGVAEPSINGIGTNGSASEAYLEQFGNEIGRLTAEIRIKNGEVSNLQKKLSVREDHVRELIERCEEKDELLRSKTRANKVLFFLKAFCVQKIDKSIETDSCLYNVPNPVRRVDLCPPGHAVAWYKDSRNVDFECSSVGTMELTETASIGWEKSESPVGADGKTSVLNERLSGMLHVMETLQSRLATFDSSCPDVKAKNDSNMKKRLKKVTFDLSKNSFRYDSTKMDDRVRTFSFYPANFTILSFEKHKRTQLRQAELACSDLREENEELRAVIADLENRLRDCCELEEVQRQQQQSNEGRLKELRKECRTIMLKSKARHMGKIKELEAVVQQLTKDLSIQSAEHRDTITQLGSSQAKVDQLTNERKDLLEQIDGYVAQMDSLKNSLTACQAEKDHLSKVLSDRDEELARLRDYSLSMENIRSEMSSSTTELSQTIEKAREQMTDRLASLESRLEESEREIERLKCTYTSPGRSSSQLPPLLEEETNNDPLEEEKQLASKMSEVGPSFCKRCALYRLGHSSEMTQSMNEQILVNKMSSVNDYRRPGSSLSSSTTGSLFQDWISEGGDRQSCYREKLDKLRRLHRKMDRLTKIVMHRSDALELLLVCAPQCKANPVAAYNPTNGAVEWSLRSADLLGFEPADAQLLGKEHVVVSVFEQPIVHTVSLQRKGRRQVKSFLPYPLQSFALSSDGSLLCGSMQENLFTWTPTNGVLMSVRSGHFQPISRIAFTSDNCFVVTGGKDGIVNVWNIADLMQADSELIELPKPSYRWTPHSLPVTDLAVGSGGGASKIYTCSLDMTLQVHSMFLGKKTLEIVYDRPLTACAVDNAESMIFVGNTVGDIHLTRLYCEPLVDQVRFSSLSDNITQTFTGHTSQVKSLHVNIDGTLVASSSSDGSVRLWSTGNGQCLRTLSFEGQCTMARFVPNVEGFWNDTYVSHHTVQPLHKQTGKGEAGTVALHLSSGFEVDIDDEIRKVERFLSDQKSDASYEAKLAQMEQELARQKQININLYQLLVQKISTEMG
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30	Very low	60.7	Low	234 Å²	234	97.7 Å²	97.7	100%	1.153	56%	0.561	S	S	*	*				0	133.2	0	-60.2	-154.1	-143	0	0	108	C3	M1-C3 PolarHBondContact O-N 3.31Å
2	P	41.6	Very low	62.3	Low	109 Å²	109	97.7 Å²	97.7	71%	0.708	55%	0.552	S	S	*	*			trans	-61.7	133.2	170.2	25.9	-29.6	0	0	0	108.7
3	C	49.3	Very low	63.4	Low	69 Å²	69	94.4 Å²	94.4	47%	0.466	53%	0.528	S	S	.	.			trans	-63.5	145.8	173.8	175.3	0	0	0	0	109.1	M1 C5 C6 E7	M1-C3 PolarHBondContact O-N 3.31Å; C3-C5 PolarHBondContact O-N 3.49Å; C3-C5 VanDerWaalsContact O-N 3.11Å; C3-C6 WeakPolarHBondContact O-CA 3.46Å; C3-C6 VanDerWaalsContact O-CB 3.3Å; C3-C6 WeakPolarHBondContact O-CB 3.45Å; C3-C6 PolarHBondContact O-N 3.38Å; C3-E7 PolarHBondContact O-N 3.16Å
4	S	61.5	Low	64.7	Low	79 Å²	79	99.9 Å²	99.9	55%	0.552	54%	0.536	S	S	*	.	H	α-helix	trans	-52.4	-33.3	174.5	52.1	0	0	0	0	112.4	C6 E7 Q8	S4-C6 VanDerWaalsContact C-N 3.34Å; S4-C6 PolarHBondContact O-N 3.16Å; S4-E7 PolarHBondContact O-N 3.19Å; S4-Q8 PolarHBondContact O-N 3.44Å; S4-Q8 VanDerWaalsContact O-N 3.11Å
5	C	58.6	Low	66	Low	65 Å²	65	98.3 Å²	98.3	44%	0.439	54%	0.536	S	S	.	.	H	α-helix	trans	-63.7	-35.5	174	-58.1	0	0	0	0	112.9	C3 E7 T9	C3-C5 PolarHBondContact O-N 3.49Å; C3-C5 VanDerWaalsContact O-N 3.11Å; C5-E7 VanDerWaalsContact C-N 3.33Å; C5-T9 WeakPolarHBondContact O-CG2 3.24Å; C5-T9 PolarHBondContact O-N 3.29Å; C5-T9 PolarHBondContact O-OG1 2.79Å; C5-T9 VanDerWaalsContact O-OG1 3.09Å
6	C	59.7	Low	66.8	Low	59 Å²	59	92.3 Å²	92.3	40%	0.399	50%	0.503	S	S	.	.	H	α-helix	trans	-68.2	-35.8	177.6	-65.6	0	0	0	0	111.5	C3 S4 T9 S10	C3-C6 WeakPolarHBondContact O-CA 3.46Å; C3-C6 VanDerWaalsContact O-CB 3.3Å; C3-C6 WeakPolarHBondContact O-CB 3.45Å; C3-C6 PolarHBondContact O-N 3.38Å; S4-C6 VanDerWaalsContact C-N 3.34Å; S4-C6 PolarHBondContact O-N 3.16Å; C6-T9 VanDerWaalsContact CA-OG1 3.3Å; C6-T9 WeakPolarHBondContact CA-OG1 3.48Å; C6-T9 PolarHBondContact O-OG1 2.73Å; C6-S10 WeakPolarHBondContact O-CB 3.42Å; C6-S10 PolarHBondContact O-N 3.35Å
7	E	70.9	Confident	67.7	Low	133 Å²	133	91.7 Å²	91.7	62%	0.621	50%	0.496	S	S	*	.	H	α-helix	trans	-68.8	-43.4	177.6	-163.6	165.5	-159.3	0	0	111	C3 S4 C5 T9 S10 V11	C3-E7 PolarHBondContact O-N 3.16Å; S4-E7 PolarHBondContact O-N 3.19Å; C5-E7 VanDerWaalsContact C-N 3.33Å; E7-T9 PolarHBondContact O-N 3.43Å; E7-S10 WeakPolarHBondContact O-CB 3.3Å; E7-S10 PolarHBondContact O-N 3.38Å; E7-V11 WeakPolarHBondContact O-CG2 3.45Å; E7-V11 PolarHBondContact O-N 2.98Å
8	Q	72.7	Confident	68.6	Low	140 Å²	140	89.1 Å²	89.1	65%	0.654	49%	0.49	S	S	*	.	H	α-helix	trans	-60.7	-44.3	173.2	-70.4	178.9	-2.6	0	0	112.5	S4 S10 V11 H12	S4-Q8 PolarHBondContact O-N 3.44Å; S4-Q8 VanDerWaalsContact O-N 3.11Å; Q8-S10 VanDerWaalsContact C-N 3.31Å; Q8-S10 PolarHBondContact O-N 3.24Å; Q8-V11 PolarHBondContact O-N 2.82Å; Q8-H12 WeakPolarHBondContact O-CB 3.42Å; Q8-H12 PolarHBondContact O-N 3.23Å
9	T	70.6	Confident	69.4	Low	45 Å²	45	85.7 Å²	85.7	28%	0.276	47%	0.473	S	S	.	.	H	α-helix	trans	-64.9	-35.3	176.2	49	0	0	0	0	112.4	C5 C6 E7 H12 F13	C5-T9 WeakPolarHBondContact O-CG2 3.24Å; C5-T9 PolarHBondContact O-N 3.29Å; C5-T9 PolarHBondContact O-OG1 2.79Å; C5-T9 VanDerWaalsContact O-OG1 3.09Å; C6-T9 VanDerWaalsContact CA-OG1 3.3Å; C6-T9 WeakPolarHBondContact CA-OG1 3.48Å; C6-T9 PolarHBondContact O-OG1 2.73Å; E7-T9 PolarHBondContact O-N 3.43Å; T9-H12 PolarHBondContact O-N 3.15Å; T9-F13 VanDerWaalsContact O-CB 3.31Å; T9-F13 WeakPolarHBondContact O-CB 3.42Å; T9-F13 PolarHBondContact O-N 2.88Å
10	S	74.3	Confident	70.1	Confident	49 Å²	49	82.7 Å²	82.7	34%	0.343	46%	0.456	S	S	.	.	H	α-helix	trans	-66.7	-42.9	176.8	-177.5	0	0	0	0	111.9	C6 E7 Q8 F13 R14	C6-S10 WeakPolarHBondContact O-CB 3.42Å; C6-S10 PolarHBondContact O-N 3.35Å; E7-S10 WeakPolarHBondContact O-CB 3.3Å; E7-S10 PolarHBondContact O-N 3.38Å; Q8-S10 VanDerWaalsContact C-N 3.31Å; Q8-S10 PolarHBondContact O-N 3.24Å; S10-F13 PolarHBondContact O-N 3.34Å; S10-R14 WeakPolarHBondContact O-CG 3.32Å; S10-R14 PolarHBondContact O-N 3.27Å
11	V	79	Confident	70.9	Confident	93 Å²	93	84.1 Å²	84.1	56%	0.564	46%	0.459	S	S	*	.	H	α-helix	trans	-63.3	-43.6	174.4	174.3	0	0	0	0	111	E7 Q8 F13 R14 S15	E7-V11 WeakPolarHBondContact O-CG2 3.45Å; E7-V11 PolarHBondContact O-N 2.98Å; Q8-V11 PolarHBondContact O-N 2.82Å; V11-F13 VanDerWaalsContact C-N 3.35Å; V11-F13 PolarHBondContact O-N 3.07Å; V11-R14 PolarHBondContact O-N 2.99Å; V11-S15 WeakPolarHBondContact O-CB 3.23Å; V11-S15 PolarHBondContact O-N 3.2Å
12	H	79.3	Confident	73.7	Confident	97 Å²	97	79.3 Å²	79.3	45%	0.449	43%	0.434	S	S	.	.	H	α-helix	trans	-63.2	-41	177.4	-164.7	-81.1	0	0	0	112	Q8 T9 S15 L16 H152	Q8-H12 WeakPolarHBondContact O-CB 3.42Å; Q8-H12 PolarHBondContact O-N 3.23Å; T9-H12 PolarHBondContact O-N 3.15Å; H12-S15 PolarHBondContact O-N 3.37Å; H12-L16 VanDerWaalsContact ND1-CD1 3.29Å; H12-L16 WeakPolarHBondContact ND1-CD1 3.46Å; H12-L16 WeakPolarHBondContact O-CG 3.45Å; H12-L16 PolarHBondContact O-N 2.9Å; H12-H152 AromaticContact CE1-NE2 3.68Å
13	F	76.9	Confident	75.8	Confident	55 Å²	55	76.5 Å²	76.5	24%	0.241	41%	0.411	C	S	.	.	H	α-helix	trans	-62.8	-47.9	176.3	-172.8	-97	0	0	0	112	T9 S10 V11 S15 L16 E17 V153 I157	T9-F13 VanDerWaalsContact O-CB 3.31Å; T9-F13 WeakPolarHBondContact O-CB 3.42Å; T9-F13 PolarHBondContact O-N 2.88Å; S10-F13 PolarHBondContact O-N 3.34Å; V11-F13 VanDerWaalsContact C-N 3.35Å; V11-F13 PolarHBondContact O-N 3.07Å; F13-S15 VanDerWaalsContact C-N 3.31Å; F13-S15 PolarHBondContact O-N 3.3Å; F13-L16 WeakPolarHBondContact O-CB 3.48Å; F13-L16 PolarHBondContact O-N 3.4Å; F13-L16 VanDerWaalsContact O-N 3.11Å; F13-E17 HydrophobicContact CD1-CG 4.13Å; F13-E17 HydrophobicContact CE1-CG 3.85Å; F13-E17 WeakPolarHBondContact CE1-OE1 3.47Å; F13-E17 HydrophobicContact CZ-CG 4.21Å; F13-E17 WeakPolarHBondContact CZ-OE1 3.46Å; F13-E17 PolarHBondContact O-N 3.25Å; F13-V153 HydrophobicContact CE2-CG1 3.95Å; F13-V153 HydrophobicContact CZ-CG1 4.47Å; F13-I157 HydrophobicContact CE2-CD1 4.43Å; F13-I157 HydrophobicContact CE2-CG1 3.99Å; F13-I157 HydrophobicContact CZ-CG1 4.49Å
14	R	80.9	Confident	77.7	Confident	171 Å²	171	77.4 Å²	77.4	65%	0.645	41%	0.408	S	S	*	.	H	α-helix	trans	-60.9	-38.6	176.1	-70.3	179.5	-171.7	173.8	2.6	112.8	S10 V11 L16 E17 A18	S10-R14 WeakPolarHBondContact O-CG 3.32Å; S10-R14 PolarHBondContact O-N 3.27Å; V11-R14 PolarHBondContact O-N 2.99Å; R14-L16 VanDerWaalsContact C-N 3.34Å; R14-E17 PolarHBondContact O-N 3.38Å; R14-A18 WeakPolarHBondContact O-CB 3.14Å; R14-A18 PolarHBondContact O-N 2.85Å
15	S	84	Confident	79.1	Confident	76 Å²	76	79.5 Å²	79.5	53%	0.531	41%	0.409	S	S	.	.	H	α-helix	trans	-64.4	-38.9	175.3	178.4	0	0	0	0	112.1	V11 H12 F13 S19	V11-S15 WeakPolarHBondContact O-CB 3.23Å; V11-S15 PolarHBondContact O-N 3.2Å; H12-S15 PolarHBondContact O-N 3.37Å; F13-S15 VanDerWaalsContact C-N 3.31Å; F13-S15 PolarHBondContact O-N 3.3Å; S15-S19 WeakPolarHBondContact O-CB 3.15Å; S15-S19 PolarHBondContact O-N 2.94Å; S15-S19 VanDerWaalsContact O-N 3.12Å
16	L	79	Confident	80.5	Confident	2 Å²	2	78.3 Å²	78.3	1%	0.01	40%	0.404	C	S	.	.	H	α-helix	trans	-67.3	-44.8	175.4	-78.7	164.8	0	0	0	112.5	H12 F13 R14 S19 L20 R149 V153 L156	H12-L16 VanDerWaalsContact ND1-CD1 3.29Å; H12-L16 WeakPolarHBondContact ND1-CD1 3.46Å; H12-L16 WeakPolarHBondContact O-CG 3.45Å; H12-L16 PolarHBondContact O-N 2.9Å; F13-L16 WeakPolarHBondContact O-CB 3.48Å; F13-L16 PolarHBondContact O-N 3.4Å; F13-L16 VanDerWaalsContact O-N 3.11Å; R14-L16 VanDerWaalsContact C-N 3.34Å; L16-S19 PolarHBondContact O-N 2.79Å; L16-L20 WeakPolarHBondContact O-CB 3.46Å; L16-L20 PolarHBondContact O-N 3.35Å; L16-R149 HydrophobicContact CD2-CG 4.43Å; L16-V153 HydrophobicContact CB-CG2 4.25Å; L16-L156 HydrophobicContact CD1-CD1 3.2Å
17	E	82.3	Confident	81.9	Confident	83 Å²	83	77 Å²	77	39%	0.388	39%	0.392	S	S	.	.	H	α-helix	trans	-60.9	-45.8	177.1	-74.1	-174.3	139.4	0	0	111.7	F13 R14 S19 L20 Q21	F13-E17 HydrophobicContact CD1-CG 4.13Å; F13-E17 HydrophobicContact CE1-CG 3.85Å; F13-E17 WeakPolarHBondContact CE1-OE1 3.47Å; F13-E17 HydrophobicContact CZ-CG 4.21Å; F13-E17 WeakPolarHBondContact CZ-OE1 3.46Å; F13-E17 PolarHBondContact O-N 3.25Å; R14-E17 PolarHBondContact O-N 3.38Å; E17-S19 VanDerWaalsContact C-N 3.33Å; E17-S19 PolarHBondContact O-N 3.43Å; E17-L20 PolarHBondContact O-N 2.81Å; E17-L20 VanDerWaalsContact O-N 3.15Å; E17-Q21 WeakPolarHBondContact O-CG 3.46Å; E17-Q21 PolarHBondContact O-N 3.29Å
18	A	85	Confident	82.8	Confident	45 Å²	45	76.1 Å²	76.1	37%	0.372	39%	0.388	S	S	.	.	H	α-helix	trans	-59.3	-45.4	175.9	0	0	0	0	0	111.6	R14 L20 Q21 E22	R14-A18 WeakPolarHBondContact O-CB 3.14Å; R14-A18 PolarHBondContact O-N 2.85Å; A18-L20 VanDerWaalsContact C-N 3.29Å; A18-L20 PolarHBondContact O-N 3.35Å; A18-Q21 PolarHBondContact O-N 2.82Å; A18-E22 WeakPolarHBondContact O-CG 3.22Å; A18-E22 PolarHBondContact O-N 2.94Å
19	S	83.5	Confident	83.7	Confident	24 Å²	24	73.6 Å²	73.6	17%	0.168	38%	0.383	C	S	.	.	H	α-helix	trans	-65	-30.4	176.9	179.4	0	0	0	0	113.4	S15 L16 E17 K23 R149	S15-S19 WeakPolarHBondContact O-CB 3.15Å; S15-S19 PolarHBondContact O-N 2.94Å; S15-S19 VanDerWaalsContact O-N 3.12Å; L16-S19 PolarHBondContact O-N 2.79Å; E17-S19 VanDerWaalsContact C-N 3.33Å; E17-S19 PolarHBondContact O-N 3.43Å; S19-K23 WeakPolarHBondContact O-CG 3.11Å; S19-K23 PolarHBondContact O-N 2.94Å; S19-R149 PolarHBondContact OG-NE 2.75Å; S19-R149 PolarHBondContact OG-NH2 2.84Å
20	L	83.8	Confident	84.5	Confident	25 Å²	25	72.6 Å²	72.6	13%	0.131	38%	0.376	C	S	.	.	H	α-helix	trans	-73.4	-45.4	176.2	-171.7	149	0	0	0	110.4	L16 E17 A18 E22 K23 E24 R149 E150 V153	L16-L20 WeakPolarHBondContact O-CB 3.46Å; L16-L20 PolarHBondContact O-N 3.35Å; E17-L20 PolarHBondContact O-N 2.81Å; E17-L20 VanDerWaalsContact O-N 3.15Å; A18-L20 VanDerWaalsContact C-N 3.29Å; A18-L20 PolarHBondContact O-N 3.35Å; L20-E22 VanDerWaalsContact C-N 3.35Å; L20-E22 PolarHBondContact O-N 3.31Å; L20-K23 PolarHBondContact O-N 3.03Å; L20-K23 VanDerWaalsContact O-N 3.12Å; L20-E24 VanDerWaalsContact CD2-CD 3.41Å; L20-E24 HydrophobicContact CD2-CG 4.06Å; L20-E24 VanDerWaalsContact CD2-OE1 3.26Å; L20-E24 WeakPolarHBondContact CD2-OE1 3.25Å; L20-E24 PolarHBondContact O-N 2.99Å; L20-R149 HydrophobicContact CD1-CB 4.47Å; L20-E150 HydrophobicContact CD1-CG 4.09Å; L20-V153 HydrophobicContact CD1-CG2 4.37Å
21	Q	85.8	Confident	85.2	Confident	114 Å²	114	72.5 Å²	72.5	53%	0.533	37%	0.373	S	S	.	.	H	α-helix	trans	-59	-42.5	174.8	-73.5	178.9	-7.1	0	0	112.4	E17 A18 K23 E24 Q25	E17-Q21 WeakPolarHBondContact O-CG 3.46Å; E17-Q21 PolarHBondContact O-N 3.29Å; A18-Q21 PolarHBondContact O-N 2.82Å; Q21-K23 VanDerWaalsContact C-N 3.3Å; Q21-K23 PolarHBondContact O-N 3.47Å; Q21-E24 PolarHBondContact O-N 3.24Å; Q21-Q25 VanDerWaalsContact O-CG 3.31Å; Q21-Q25 WeakPolarHBondContact O-CG 3.33Å; Q21-Q25 PolarHBondContact O-N 3.24Å
22	E	89.2	Confident	85.8	Confident	133 Å²	133	72.2 Å²	72.2	62%	0.621	37%	0.365	S	S	*	.	H	α-helix	trans	-58.8	-41	175.2	-75.7	175.3	177.7	0	0	112.2	A18 L20 A26	A18-E22 WeakPolarHBondContact O-CG 3.22Å; A18-E22 PolarHBondContact O-N 2.94Å; L20-E22 VanDerWaalsContact C-N 3.35Å; L20-E22 PolarHBondContact O-N 3.31Å; E22-A26 WeakPolarHBondContact O-CB 3.44Å; E22-A26 PolarHBondContact O-N 3.05Å
23	K	86.3	Confident	86.2	Confident	50 Å²	50	69.4 Å²	69.4	22%	0.217	36%	0.357	C	S	.	.	H	α-helix	trans	-73.1	-37.5	178.8	-75.5	178.4	176.4	176	0	112.8	S19 L20 Q21 A26 L27 K145	S19-K23 WeakPolarHBondContact O-CG 3.11Å; S19-K23 PolarHBondContact O-N 2.94Å; L20-K23 PolarHBondContact O-N 3.03Å; L20-K23 VanDerWaalsContact O-N 3.12Å; Q21-K23 VanDerWaalsContact C-N 3.3Å; Q21-K23 PolarHBondContact O-N 3.47Å; K23-A26 PolarHBondContact O-N 2.75Å; K23-L27 WeakPolarHBondContact O-CB 3.35Å; K23-L27 PolarHBondContact O-N 3.2Å; K23-K145 PolarHBondContact NZ-O 3.47Å; K23-K145 VanDerWaalsContact NZ-O 3.13Å
24	E	88.4	Confident	86.7	Confident	88 Å²	88	67.2 Å²	67.2	41%	0.411	35%	0.348	S	S	.	.	H	α-helix	trans	-61.5	-44.6	173.8	-77.1	179.3	160.5	0	0	111.1	L20 Q21 L27 Q28 L146	L20-E24 VanDerWaalsContact CD2-CD 3.41Å; L20-E24 HydrophobicContact CD2-CG 4.06Å; L20-E24 VanDerWaalsContact CD2-OE1 3.26Å; L20-E24 WeakPolarHBondContact CD2-OE1 3.25Å; L20-E24 PolarHBondContact O-N 2.99Å; Q21-E24 PolarHBondContact O-N 3.24Å; E24-L27 PolarHBondContact O-N 3.43Å; E24-Q28 WeakPolarHBondContact O-CB 3.23Å; E24-Q28 PolarHBondContact O-N 2.95Å; E24-L146 HydrophobicContact CG-CD1 3.65Å
25	Q	90.6	Very high	87	Confident	123 Å²	123	64.9 Å²	64.9	58%	0.575	34%	0.344	S	S	*	.	H	α-helix	trans	-63.8	-42.2	175.2	-70.2	176.1	7.1	0	0	112	Q21 L27 Q28 T29	Q21-Q25 VanDerWaalsContact O-CG 3.31Å; Q21-Q25 WeakPolarHBondContact O-CG 3.33Å; Q21-Q25 PolarHBondContact O-N 3.24Å; Q25-L27 VanDerWaalsContact C-N 3.34Å; Q25-L27 PolarHBondContact O-N 3.43Å; Q25-Q28 PolarHBondContact O-N 3.33Å; Q25-T29 WeakPolarHBondContact O-CG2 3.47Å; Q25-T29 PolarHBondContact O-N 2.73Å; Q25-T29 PolarHBondContact O-OG1 2.85Å
26	A	89.1	Confident	87.2	Confident	40 Å²	40	68.2 Å²	68.2	33%	0.331	35%	0.349	S	S	.	.	H	α-helix	trans	-62.9	-39.6	174.7	0	0	0	0	0	112.3	E22 K23 T29 L30 L142	E22-A26 WeakPolarHBondContact O-CB 3.44Å; E22-A26 PolarHBondContact O-N 3.05Å; K23-A26 PolarHBondContact O-N 2.75Å; A26-T29 WeakPolarHBondContact CA-OG1 3.23Å; A26-T29 PolarHBondContact O-OG1 3.38Å; A26-L30 VanDerWaalsContact O-CB 3.32Å; A26-L30 WeakPolarHBondContact O-CB 3.26Å; A26-L30 PolarHBondContact O-N 2.96Å; A26-L30 VanDerWaalsContact O-N 3.09Å; A26-L142 HydrophobicContact CB-CD1 4.48Å
27	L	88.7	Confident	87.4	Confident	30 Å²	30	69 Å²	69	16%	0.157	35%	0.353	C	S	.	.	H	α-helix	trans	-65.6	-45	175.8	-177.4	66.8	0	0	0	111	K23 E24 Q25 L30 T31 V139 L142 Q143 L146	K23-L27 WeakPolarHBondContact O-CB 3.35Å; K23-L27 PolarHBondContact O-N 3.2Å; E24-L27 PolarHBondContact O-N 3.43Å; Q25-L27 VanDerWaalsContact C-N 3.34Å; Q25-L27 PolarHBondContact O-N 3.43Å; L27-L30 PolarHBondContact O-N 3.18Å; L27-T31 HydrophobicContact CD1-CG2 4.48Å; L27-T31 WeakPolarHBondContact O-CG2 3.38Å; L27-T31 PolarHBondContact O-N 2.97Å; L27-T31 PolarHBondContact O-OG1 3.04Å; L27-V139 HydrophobicContact CD1-CG1 3.96Å; L27-L142 HydrophobicContact CD1-CB 4.1Å; L27-Q143 HydrophobicContact CD1-CG 4Å; L27-Q143 HydrophobicContact CD2-CG 4.14Å; L27-L146 HydrophobicContact CD2-CD1 4.36Å
28	Q	88.9	Confident	87.7	Confident	115 Å²	115	70.8 Å²	70.8	54%	0.537	36%	0.356	S	S	.	.	H	α-helix	trans	-60.7	-51.2	179.2	-171.5	174.4	-1.7	0	0	111.3	E24 Q25 L30 T31 E32	E24-Q28 WeakPolarHBondContact O-CB 3.23Å; E24-Q28 PolarHBondContact O-N 2.95Å; Q25-Q28 PolarHBondContact O-N 3.33Å; Q28-L30 VanDerWaalsContact C-N 3.31Å; Q28-L30 PolarHBondContact O-N 3Å; Q28-T31 WeakPolarHBondContact CA-OG1 3.27Å; Q28-T31 PolarHBondContact O-N 3.34Å; Q28-T31 PolarHBondContact O-OG1 3.49Å; Q28-E32 WeakPolarHBondContact O-CG 3.46Å; Q28-E32 PolarHBondContact O-N 2.8Å
29	T	91.2	Very high	87.7	Confident	88 Å²	88	74.2 Å²	74.2	54%	0.54	37%	0.367	S	S	.	.	H	α-helix	trans	-59.1	-40.1	177.8	51.9	0	0	0	0	112.7	Q25 A26 S33	Q25-T29 WeakPolarHBondContact O-CG2 3.47Å; Q25-T29 PolarHBondContact O-N 2.73Å; Q25-T29 PolarHBondContact O-OG1 2.85Å; A26-T29 WeakPolarHBondContact CA-OG1 3.23Å; A26-T29 PolarHBondContact O-OG1 3.38Å; T29-S33 PolarHBondContact O-N 2.79Å; T29-S33 VanDerWaalsContact O-N 3.08Å
30	L	87.6	Confident	87.8	Confident	24 Å²	24	77.4 Å²	77.4	13%	0.126	38%	0.38	C	S	.	.	H	α-helix	trans	-68.7	-42.6	176.6	-173	64.2	0	0	0	112	A26 L27 Q28 E32 S33 V34 K135 E138 V139 L142	A26-L30 VanDerWaalsContact O-CB 3.32Å; A26-L30 WeakPolarHBondContact O-CB 3.26Å; A26-L30 PolarHBondContact O-N 2.96Å; A26-L30 VanDerWaalsContact O-N 3.09Å; L27-L30 PolarHBondContact O-N 3.18Å; Q28-L30 VanDerWaalsContact C-N 3.31Å; Q28-L30 PolarHBondContact O-N 3Å; L30-E32 VanDerWaalsContact C-N 3.34Å; L30-E32 PolarHBondContact O-N 3.49Å; L30-S33 WeakPolarHBondContact O-CB 3.43Å; L30-S33 PolarHBondContact O-N 3.35Å; L30-V34 WeakPolarHBondContact O-CG2 3.41Å; L30-V34 PolarHBondContact O-N 3.35Å; L30-K135 HydrophobicContact CD1-CB 4.25Å; L30-K135 HydrophobicContact CD1-CD 4.33Å; L30-K135 HydrophobicContact CD1-CG 4.17Å; L30-E138 HydrophobicContact CD2-CB 3.63Å; L30-V139 HydrophobicContact CB-CG2 4.42Å; L30-V139 HydrophobicContact CD2-CB 4.3Å; L30-V139 HydrophobicContact CD2-CG2 3.47Å; L30-V139 VanDerWaalsContact CD2-CG2 3.47Å; L30-V139 HydrophobicContact CG-CG2 3.69Å; L30-L142 HydrophobicContact CD2-CD1 3.89Å
31	T	88.8	Confident	87.8	Confident	47 Å²	47	78.8 Å²	78.8	29%	0.288	39%	0.385	S	S	.	.	H	α-helix	trans	-63	-38.7	176.4	48.1	0	0	0	0	112.6	L27 Q28 S33 V34 Q35 V139	L27-T31 HydrophobicContact CD1-CG2 4.48Å; L27-T31 WeakPolarHBondContact O-CG2 3.38Å; L27-T31 PolarHBondContact O-N 2.97Å; L27-T31 PolarHBondContact O-OG1 3.04Å; Q28-T31 WeakPolarHBondContact CA-OG1 3.27Å; Q28-T31 PolarHBondContact O-N 3.34Å; Q28-T31 PolarHBondContact O-OG1 3.49Å; T31-S33 VanDerWaalsContact C-N 3.35Å; T31-V34 PolarHBondContact O-N 3.18Å; T31-Q35 VanDerWaalsContact O-CG 3.32Å; T31-Q35 WeakPolarHBondContact O-CG 3.47Å; T31-Q35 PolarHBondContact O-N 2.77Å; T31-V139 HydrophobicContact CG2-CG1 4.38Å; T31-V139 HydrophobicContact CG2-CG2 4.29Å
32	E	91.7	Very high	87.7	Confident	86 Å²	86	79.8 Å²	79.8	40%	0.402	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-40.2	172.9	-72.1	177.9	-169.6	0	0	111.8	Q28 L30 Q35 K36	Q28-E32 WeakPolarHBondContact O-CG 3.46Å; Q28-E32 PolarHBondContact O-N 2.8Å; L30-E32 VanDerWaalsContact C-N 3.34Å; L30-E32 PolarHBondContact O-N 3.49Å; E32-Q35 PolarHBondContact O-N 3.07Å; E32-K36 WeakPolarHBondContact O-CG 3.25Å; E32-K36 PolarHBondContact O-N 2.67Å
33	S	87.6	Confident	87.4	Confident	39 Å²	39	76 Å²	76	27%	0.273	38%	0.379	S	S	.	.	H	α-helix	trans	-61.8	-45.7	175.3	-167.8	0	0	0	0	112	T29 L30 T31 Q35 K36 E37 K135	T29-S33 PolarHBondContact O-N 2.79Å; T29-S33 VanDerWaalsContact O-N 3.08Å; L30-S33 WeakPolarHBondContact O-CB 3.43Å; L30-S33 PolarHBondContact O-N 3.35Å; T31-S33 VanDerWaalsContact C-N 3.35Å; S33-Q35 VanDerWaalsContact C-N 3.34Å; S33-Q35 PolarHBondContact O-N 3.02Å; S33-K36 PolarHBondContact O-N 3.29Å; S33-E37 PolarHBondContact O-N 2.89Å; S33-E37 VanDerWaalsContact O-N 3.12Å; S33-K135 PolarHBondContact OG-NZ 3.13Å
34	V	88.6	Confident	87.2	Confident	8 Å²	8	74.8 Å²	74.8	5%	0.048	37%	0.374	C	S	.	.	H	α-helix	trans	-62.2	-40.5	175.9	171.6	0	0	0	0	111.5	L30 T31 E37 R38 K135 V139	L30-V34 WeakPolarHBondContact O-CG2 3.41Å; L30-V34 PolarHBondContact O-N 3.35Å; T31-V34 PolarHBondContact O-N 3.18Å; V34-E37 PolarHBondContact O-N 3.16Å; V34-R38 HydrophobicContact CG1-CG 4.41Å; V34-R38 WeakPolarHBondContact O-CB 3.34Å; V34-R38 VanDerWaalsContact O-CG 3.3Å; V34-R38 WeakPolarHBondContact O-CG 3.45Å; V34-R38 PolarHBondContact O-N 2.67Å; V34-K135 HydrophobicContact CG2-CB 3.46Å; V34-K135 VanDerWaalsContact CG2-CB 3.46Å; V34-K135 HydrophobicContact CG2-CD 4.15Å; V34-K135 HydrophobicContact CG2-CG 4.44Å; V34-V139 HydrophobicContact CG2-CG2 4.44Å
35	Q	86.7	Confident	86.8	Confident	122 Å²	122	71.6 Å²	71.6	57%	0.57	36%	0.361	S	S	*	.	H	α-helix	trans	-64.2	-41.3	177.1	-74.9	179.4	1.1	0	0	112	T31 E32 S33 R38 L39	T31-Q35 VanDerWaalsContact O-CG 3.32Å; T31-Q35 WeakPolarHBondContact O-CG 3.47Å; T31-Q35 PolarHBondContact O-N 2.77Å; E32-Q35 PolarHBondContact O-N 3.07Å; S33-Q35 VanDerWaalsContact C-N 3.34Å; S33-Q35 PolarHBondContact O-N 3.02Å; Q35-R38 PolarHBondContact O-N 2.91Å; Q35-L39 WeakPolarHBondContact O-CG 3.3Å; Q35-L39 PolarHBondContact O-N 3.03Å
36	K	88.2	Confident	86.3	Confident	146 Å²	146	69.3 Å²	69.3	64%	0.635	36%	0.355	S	S	*	.	H	α-helix	trans	-60	-46.2	175.5	-74.2	174.8	-176.6	174	0	111.7	E32 S33 L39 Q40	E32-K36 WeakPolarHBondContact O-CG 3.25Å; E32-K36 PolarHBondContact O-N 2.67Å; S33-K36 PolarHBondContact O-N 3.29Å; K36-L39 PolarHBondContact O-N 2.76Å; K36-Q40 PolarHBondContact O-N 2.87Å
37	E	84.4	Confident	85.8	Confident	19 Å²	19	72.4 Å²	72.4	9%	0.089	36%	0.362	C	S	.	.	H	α-helix	trans	-65.4	-40.4	177.5	-74	178	180	0	0	112.6	S33 V34 L39 Q40 F41 I132 K135	S33-E37 PolarHBondContact O-N 2.89Å; S33-E37 VanDerWaalsContact O-N 3.12Å; V34-E37 PolarHBondContact O-N 3.16Å; E37-L39 VanDerWaalsContact C-N 3.27Å; E37-L39 PolarHBondContact O-N 3.37Å; E37-Q40 PolarHBondContact O-N 3.43Å; E37-F41 WeakPolarHBondContact O-CB 3.4Å; E37-F41 PolarHBondContact O-N 3.48Å; E37-I132 HydrophobicContact CB-CD1 4.14Å; E37-I132 HydrophobicContact CB-CG1 3.75Å; E37-K135 WeakPolarHBondContact OE1-CE 3.38Å; E37-K135 IonicContact OE1-NZ 3.73Å; E37-K135 PolarHBondContact OE1-NZ 2.93Å; E37-K135 IonicContact OE2-NZ 3.22Å
38	R	87.8	Confident	85	Confident	121 Å²	121	72.7 Å²	72.7	46%	0.457	36%	0.364	S	S	.	.	H	α-helix	trans	-61.9	-35.8	174.8	-74.2	177.8	-174.9	-160.4	4.9	112.1	V34 Q35 K42 I132 N136	V34-R38 HydrophobicContact CG1-CG 4.41Å; V34-R38 WeakPolarHBondContact O-CB 3.34Å; V34-R38 VanDerWaalsContact O-CG 3.3Å; V34-R38 WeakPolarHBondContact O-CG 3.45Å; V34-R38 PolarHBondContact O-N 2.67Å; Q35-R38 PolarHBondContact O-N 2.91Å; R38-K42 WeakPolarHBondContact O-CB 3.4Å; R38-K42 VanDerWaalsContact O-CG 3.31Å; R38-K42 WeakPolarHBondContact O-CG 3.46Å; R38-K42 PolarHBondContact O-N 3.47Å; R38-I132 HydrophobicContact CG-CD1 4.03Å; R38-I132 HydrophobicContact CG-CG1 4.5Å; R38-I132 HydrophobicContact CG-CG2 4.48Å; R38-N136 PolarHBondContact NH2-OD1 2.92Å
39	L	85.9	Confident	84.3	Confident	116 Å²	116	73.7 Å²	73.7	61%	0.607	37%	0.367	S	S	*	.	H	α-helix	trans	-69.9	-41.8	175.1	-71.7	170.2	0	0	0	111.5	Q35 K36 E37 K42 A43	Q35-L39 WeakPolarHBondContact O-CG 3.3Å; Q35-L39 PolarHBondContact O-N 3.03Å; K36-L39 PolarHBondContact O-N 2.76Å; E37-L39 VanDerWaalsContact C-N 3.27Å; E37-L39 PolarHBondContact O-N 3.37Å; L39-K42 PolarHBondContact O-N 3.23Å; L39-A43 WeakPolarHBondContact O-CB 3.47Å; L39-A43 PolarHBondContact O-N 3.37Å
40	Q	84.7	Confident	83.6	Confident	91 Å²	91	76.2 Å²	76.2	43%	0.425	37%	0.37	S	S	.	.	H	α-helix	trans	-61.5	-45.2	174.4	-175.4	176.5	-12.8	0	0	111.6	K36 E37 K42 A43 Q44 L128	K36-Q40 PolarHBondContact O-N 2.87Å; E37-Q40 PolarHBondContact O-N 3.43Å; Q40-K42 PolarHBondContact O-N 3Å; Q40-A43 WeakPolarHBondContact O-CB 3.37Å; Q40-A43 PolarHBondContact O-N 3.3Å; Q40-Q44 PolarHBondContact O-N 2.91Å; Q40-L128 HydrophobicContact CG-CD1 4.03Å
41	F	83.4	Confident	82.8	Confident	54 Å²	54	78.4 Å²	78.4	24%	0.237	38%	0.382	C	S	.	.	H	α-helix	trans	-57.4	-49.4	173.8	177	-89.2	0	0	0	111.5	E37 A43 Q44 V45 I125 L128 T129 I132	E37-F41 WeakPolarHBondContact O-CB 3.4Å; E37-F41 PolarHBondContact O-N 3.48Å; F41-A43 VanDerWaalsContact C-N 3.3Å; F41-A43 PolarHBondContact O-N 3.04Å; F41-Q44 PolarHBondContact O-N 3.06Å; F41-V45 HydrophobicContact CD1-CG2 4.09Å; F41-V45 HydrophobicContact CE1-CG2 3.73Å; F41-V45 HydrophobicContact CE2-CG2 4.36Å; F41-V45 HydrophobicContact CZ-CG2 3.88Å; F41-V45 VanDerWaalsContact O-CG2 3.32Å; F41-V45 WeakPolarHBondContact O-CG2 3.33Å; F41-V45 PolarHBondContact O-N 2.93Å; F41-I125 HydrophobicContact CD2-CG2 4.3Å; F41-I125 HydrophobicContact CE2-CG2 3.58Å; F41-I125 HydrophobicContact CZ-CG2 4.31Å; F41-L128 HydrophobicContact CB-CD1 4.4Å; F41-L128 HydrophobicContact CD2-CB 4.34Å; F41-T129 WeakPolarHBondContact CE2-OG1 3.39Å; F41-I132 HydrophobicContact CB-CD1 4.3Å
42	K	84.3	Confident	81.8	Confident	136 Å²	136	79.4 Å²	79.4	59%	0.591	38%	0.384	S	S	*	.	H	α-helix	trans	-59.3	-41	176.6	-77.7	177.9	-180	-176.7	0	112	R38 L39 Q40 V45 V46	R38-K42 WeakPolarHBondContact O-CB 3.4Å; R38-K42 VanDerWaalsContact O-CG 3.31Å; R38-K42 WeakPolarHBondContact O-CG 3.46Å; R38-K42 PolarHBondContact O-N 3.47Å; L39-K42 PolarHBondContact O-N 3.23Å; Q40-K42 PolarHBondContact O-N 3Å; K42-V45 PolarHBondContact O-N 2.72Å; K42-V46 VanDerWaalsContact O-CG2 3.26Å; K42-V46 WeakPolarHBondContact O-CG2 3.45Å; K42-V46 PolarHBondContact O-N 3.26Å
43	A	83.3	Confident	80.6	Confident	53 Å²	53	77.8 Å²	77.8	44%	0.438	39%	0.386	S	S	.	.	H	α-helix	trans	-63.5	-45.3	177.9	0	0	0	0	0	111.8	L39 Q40 F41 V46 Q47	L39-A43 WeakPolarHBondContact O-CB 3.47Å; L39-A43 PolarHBondContact O-N 3.37Å; Q40-A43 WeakPolarHBondContact O-CB 3.37Å; Q40-A43 PolarHBondContact O-N 3.3Å; F41-A43 VanDerWaalsContact C-N 3.3Å; F41-A43 PolarHBondContact O-N 3.04Å; A43-V46 PolarHBondContact O-N 3.26Å; A43-Q47 WeakPolarHBondContact O-CG 3.34Å; A43-Q47 PolarHBondContact O-N 2.91Å
44	Q	80.8	Confident	79.5	Confident	24 Å²	24	82.8 Å²	82.8	11%	0.112	40%	0.403	C	S	.	.	H	α-helix	trans	-65	-42.4	177	-72.2	-175	-2.5	0	0	112.2	Q40 F41 V46 Q47 L48 E124 L128	Q40-Q44 PolarHBondContact O-N 2.91Å; F41-Q44 PolarHBondContact O-N 3.06Å; Q44-V46 VanDerWaalsContact C-N 3.31Å; Q44-V46 PolarHBondContact O-N 2.84Å; Q44-Q47 WeakPolarHBondContact O-CB 3.33Å; Q44-Q47 PolarHBondContact O-N 2.95Å; Q44-Q47 VanDerWaalsContact O-N 3.15Å; Q44-L48 PolarHBondContact O-N 2.99Å; Q44-E124 VanDerWaalsContact NE2-CG 3.27Å; Q44-L128 VanDerWaalsContact OE1-CD1 3.27Å
45	V	80.1	Confident	78.1	Confident	22 Å²	22	85.6 Å²	85.6	13%	0.133	42%	0.415	C	S	.	.	H	α-helix	trans	-62.4	-38.4	175.8	171.5	0	0	0	0	111.5	F41 K42 L48 K49 I125	F41-V45 HydrophobicContact CD1-CG2 4.09Å; F41-V45 HydrophobicContact CE1-CG2 3.73Å; F41-V45 HydrophobicContact CE2-CG2 4.36Å; F41-V45 HydrophobicContact CZ-CG2 3.88Å; F41-V45 VanDerWaalsContact O-CG2 3.32Å; F41-V45 WeakPolarHBondContact O-CG2 3.33Å; F41-V45 PolarHBondContact O-N 2.93Å; K42-V45 PolarHBondContact O-N 2.72Å; V45-L48 PolarHBondContact O-N 3.46Å; V45-K49 HydrophobicContact CG1-CD 4.5Å; V45-K49 WeakPolarHBondContact O-CG 3.31Å; V45-K49 PolarHBondContact O-N 3.39Å; V45-I125 HydrophobicContact CG2-CD1 4.27Å
46	V	80.4	Confident	76.5	Confident	75 Å²	75	85.1 Å²	85.1	46%	0.455	41%	0.413	S	S	.	.	H	α-helix	trans	-66.6	-39.3	174.8	170.3	0	0	0	0	111.4	K42 A43 Q44 K49 K50	K42-V46 VanDerWaalsContact O-CG2 3.26Å; K42-V46 WeakPolarHBondContact O-CG2 3.45Å; K42-V46 PolarHBondContact O-N 3.26Å; A43-V46 PolarHBondContact O-N 3.26Å; Q44-V46 VanDerWaalsContact C-N 3.31Å; Q44-V46 PolarHBondContact O-N 2.84Å; V46-K49 PolarHBondContact O-N 2.9Å; V46-K50 WeakPolarHBondContact O-CG 3.11Å; V46-K50 PolarHBondContact O-N 3.12Å
47	Q	78.5	Confident	74.9	Confident	104 Å²	104	84.5 Å²	84.5	49%	0.486	41%	0.412	S	S	.	.	H	α-helix	trans	-62.5	-43.6	173.5	-72.9	179.9	-7.5	0	0	111.6	A43 Q44 K50 L51	A43-Q47 WeakPolarHBondContact O-CG 3.34Å; A43-Q47 PolarHBondContact O-N 2.91Å; Q44-Q47 WeakPolarHBondContact O-CB 3.33Å; Q44-Q47 PolarHBondContact O-N 2.95Å; Q44-Q47 VanDerWaalsContact O-N 3.15Å; Q47-K50 WeakPolarHBondContact O-CB 3.44Å; Q47-K50 PolarHBondContact O-N 2.89Å; Q47-L51 PolarHBondContact O-N 3.13Å
48	L	72.7	Confident	73.1	Confident	37 Å²	37	89.9 Å²	89.9	19%	0.194	44%	0.437	C	S	.	.	H	α-helix	trans	-60.5	-47.3	176.6	-157.9	99.7	0	0	0	111.4	Q44 V45 K50 L51 I52 L118 F121 I125	Q44-L48 PolarHBondContact O-N 2.99Å; V45-L48 PolarHBondContact O-N 3.46Å; L48-K50 VanDerWaalsContact C-N 3.28Å; L48-K50 PolarHBondContact O-N 3.2Å; L48-L51 PolarHBondContact O-N 3.3Å; L48-L51 VanDerWaalsContact O-N 3.1Å; L48-I52 HydrophobicContact CD2-CD1 3.79Å; L48-I52 HydrophobicContact CG-CD1 4.11Å; L48-I52 WeakPolarHBondContact O-CG1 3.42Å; L48-I52 PolarHBondContact O-N 2.93Å; L48-L118 HydrophobicContact CD1-CD2 4.18Å; L48-F121 HydrophobicContact CD1-CB 3.44Å; L48-F121 VanDerWaalsContact CD1-CB 3.44Å; L48-F121 HydrophobicContact CD1-CD1 4.39Å; L48-F121 HydrophobicContact CD1-CD2 4.48Å; L48-F121 HydrophobicContact CD1-CG 3.89Å; L48-I125 HydrophobicContact CD1-CD1 4.38Å
49	K	74	Confident	71.3	Confident	136 Å²	136	89.5 Å²	89.5	59%	0.591	44%	0.443	S	S	*	.	H	α-helix	trans	-59	-38.1	175.9	-75.9	-177.4	178.5	-172.8	0	112.5	V45 V46 A53	V45-K49 HydrophobicContact CG1-CD 4.5Å; V45-K49 WeakPolarHBondContact O-CG 3.31Å; V45-K49 PolarHBondContact O-N 3.39Å; V46-K49 PolarHBondContact O-N 2.9Å; K49-A53 VanDerWaalsContact O-CB 3.27Å; K49-A53 WeakPolarHBondContact O-CB 3.41Å; K49-A53 PolarHBondContact O-N 3.3Å
50	K	75.9	Confident	69.3	Low	140 Å²	140	89.7 Å²	89.7	61%	0.609	45%	0.445	S	S	*	.	H	α-helix	trans	-67.4	-37.5	175.4	-75	179.1	179.3	-177.7	0	112.3	V46 Q47 L48 K54	V46-K50 WeakPolarHBondContact O-CG 3.11Å; V46-K50 PolarHBondContact O-N 3.12Å; Q47-K50 WeakPolarHBondContact O-CB 3.44Å; Q47-K50 PolarHBondContact O-N 2.89Å; L48-K50 VanDerWaalsContact C-N 3.28Å; L48-K50 PolarHBondContact O-N 3.2Å; K50-K54 WeakPolarHBondContact O-CG 3.06Å; K50-K54 PolarHBondContact O-N 3.44Å; K50-K54 VanDerWaalsContact O-N 3.07Å
51	L	70.8	Confident	67.6	Low	71 Å²	71	92 Å²	92	37%	0.372	46%	0.459	S	S	.	.	H	α-helix	trans	-68.3	-45.3	175.8	-75	166.5	0	0	0	111.6	Q47 L48 A53 K54 Q55 F121	Q47-L51 PolarHBondContact O-N 3.13Å; L48-L51 PolarHBondContact O-N 3.3Å; L48-L51 VanDerWaalsContact O-N 3.1Å; L51-A53 PolarHBondContact O-N 2.87Å; L51-K54 WeakPolarHBondContact O-CB 3.36Å; L51-K54 PolarHBondContact O-N 3.39Å; L51-Q55 PolarHBondContact O-N 2.91Å; L51-F121 HydrophobicContact CD1-CD2 4.4Å; L51-F121 HydrophobicContact CD1-CE2 3.88Å; L51-F121 HydrophobicContact CD1-CZ 4.37Å
52	I	67.9	Low	65.9	Low	68 Å²	68	95.6 Å²	95.6	35%	0.349	48%	0.481	S	S	.	.	H	α-helix	trans	-60.5	-45.8	175.8	-65.4	166	0	0	0	110.1	L48 K54 Q55 Q56	L48-I52 HydrophobicContact CD2-CD1 3.79Å; L48-I52 HydrophobicContact CG-CD1 4.11Å; L48-I52 WeakPolarHBondContact O-CG1 3.42Å; L48-I52 PolarHBondContact O-N 2.93Å; I52-K54 VanDerWaalsContact C-N 3.3Å; I52-K54 PolarHBondContact O-N 3.06Å; I52-Q55 PolarHBondContact O-N 2.91Å; I52-Q55 VanDerWaalsContact O-N 3.14Å; I52-Q56 PolarHBondContact O-N 3.07Å
53	A	66.5	Low	63.7	Low	52 Å²	52	92 Å²	92	43%	0.43	48%	0.483	S	S	.	.	H	α-helix	trans	-61.2	-36.6	176.6	0	0	0	0	0	112.9	K49 L51 Q56 Q57	K49-A53 VanDerWaalsContact O-CB 3.27Å; K49-A53 WeakPolarHBondContact O-CB 3.41Å; K49-A53 PolarHBondContact O-N 3.3Å; L51-A53 PolarHBondContact O-N 2.87Å; A53-Q56 PolarHBondContact O-N 3.4Å; A53-Q57 PolarHBondContact O-N 3.38Å
54	K	65.4	Low	61.4	Low	144 Å²	144	92.3 Å²	92.3	63%	0.626	49%	0.491	S	S	*	.	H	α-helix	trans	-66.9	-40.7	173.5	-80.4	-177.3	176.9	-174.2	0	112.3	K50 L51 I52 Q57 Q58	K50-K54 WeakPolarHBondContact O-CG 3.06Å; K50-K54 PolarHBondContact O-N 3.44Å; K50-K54 VanDerWaalsContact O-N 3.07Å; L51-K54 WeakPolarHBondContact O-CB 3.36Å; L51-K54 PolarHBondContact O-N 3.39Å; I52-K54 VanDerWaalsContact C-N 3.3Å; I52-K54 PolarHBondContact O-N 3.06Å; K54-Q57 PolarHBondContact O-N 3.27Å; K54-Q58 PolarHBondContact O-N 3.28Å
55	Q	57.9	Low	59.2	Low	67 Å²	67	98.4 Å²	98.4	31%	0.313	52%	0.524	S	S	.	.	H	α-helix	trans	-64.2	-42	174.6	-75.7	-175.9	-23.7	0	0	111.1	L51 I52 Q57 Q58 I59	L51-Q55 PolarHBondContact O-N 2.91Å; I52-Q55 PolarHBondContact O-N 2.91Å; I52-Q55 VanDerWaalsContact O-N 3.14Å; Q55-Q57 VanDerWaalsContact C-N 3.34Å; Q55-Q57 PolarHBondContact O-N 3.43Å; Q55-Q58 PolarHBondContact O-N 3.16Å; Q55-Q58 VanDerWaalsContact O-N 3.15Å; Q55-I59 VanDerWaalsContact O-CG1 3.31Å; Q55-I59 WeakPolarHBondContact O-CG1 3.33Å; Q55-I59 PolarHBondContact O-N 3.17Å
56	Q	54.8	Low	56.9	Low	112 Å²	112	105.5 Å²	105.5	52%	0.523	56%	0.561	S	S	.	*	H	α-helix	trans	-57.7	-46	175	-138.1	98.9	18.9	0	0	111.6	I52 A53 Q58 I59 D60	I52-Q56 PolarHBondContact O-N 3.07Å; A53-Q56 PolarHBondContact O-N 3.4Å; Q56-Q58 VanDerWaalsContact C-N 3.33Å; Q56-Q58 PolarHBondContact O-N 3.1Å; Q56-I59 PolarHBondContact O-N 2.82Å; Q56-I59 VanDerWaalsContact O-N 3.17Å; Q56-D60 PolarHBondContact O-N 2.99Å
57	Q	53	Low	54.5	Low	132 Å²	132	112.9 Å²	112.9	62%	0.617	58%	0.581	S	S	*	*	H	α-helix	trans	-64	-34.7	176.5	-77.6	-177	-15.2	0	0	113.3	A53 K54 Q55 D60 L61	A53-Q57 PolarHBondContact O-N 3.38Å; K54-Q57 PolarHBondContact O-N 3.27Å; Q55-Q57 VanDerWaalsContact C-N 3.34Å; Q55-Q57 PolarHBondContact O-N 3.43Å; Q57-D60 PolarHBondContact O-N 3.05Å; Q57-L61 WeakPolarHBondContact O-CG 3.42Å; Q57-L61 PolarHBondContact O-N 3.28Å; Q57-L61 VanDerWaalsContact O-N 3.09Å
58	Q	47.5	Very low	52.1	Low	132 Å²	132	113.6 Å²	113.6	62%	0.617	60%	0.597	S	S	*	*	H	α-helix	trans	-68.5	-36.1	173.6	-101.4	-178.7	-22.5	0	0	112.4	K54 Q55 Q56 L61 N62	K54-Q58 PolarHBondContact O-N 3.28Å; Q55-Q58 PolarHBondContact O-N 3.16Å; Q55-Q58 VanDerWaalsContact O-N 3.15Å; Q56-Q58 VanDerWaalsContact C-N 3.33Å; Q56-Q58 PolarHBondContact O-N 3.1Å; Q58-L61 PolarHBondContact O-N 2.9Å; Q58-N62 WeakPolarHBondContact O-CB 3.44Å; Q58-N62 PolarHBondContact O-N 3.5Å; Q58-N62 VanDerWaalsContact O-N 3.08Å
59	I	48.8	Very low	49.9	Very low	114 Å²	114	115.8 Å²	115.8	59%	0.585	63%	0.628	S	S	*	*	H	α-helix	trans	-67	-42.3	175.1	-64.7	163.4	0	0	0	110	Q55 Q56 L61 N62 G63	Q55-I59 VanDerWaalsContact O-CG1 3.31Å; Q55-I59 WeakPolarHBondContact O-CG1 3.33Å; Q55-I59 PolarHBondContact O-N 3.17Å; Q56-I59 PolarHBondContact O-N 2.82Å; Q56-I59 VanDerWaalsContact O-N 3.17Å; I59-L61 VanDerWaalsContact C-N 3.34Å; I59-L61 PolarHBondContact O-N 3.45Å; I59-N62 PolarHBondContact O-N 3.27Å; I59-G63 PolarHBondContact O-N 3.07Å
60	D	45.8	Very low	47.6	Very low	119 Å²	119	112.7 Å²	112.7	64%	0.636	64%	0.635	S	S	*	*	H	α-helix	trans	-64.3	-36.5	177.6	-70.8	-22.5	0	0	0	112.5	Q56 Q57	Q56-D60 PolarHBondContact O-N 2.99Å; Q57-D60 PolarHBondContact O-N 3.05Å
61	L	48.8	Very low	45.2	Very low	140 Å²	140	111.9 Å²	111.9	73%	0.733	65%	0.647	S	S	*	*	H	α-helix	trans	-70.7	-35.2	175.1	-74.1	166.5	0	0	0	112.6	Q57 Q58 I59	Q57-L61 WeakPolarHBondContact O-CG 3.42Å; Q57-L61 PolarHBondContact O-N 3.28Å; Q57-L61 VanDerWaalsContact O-N 3.09Å; Q58-L61 PolarHBondContact O-N 2.9Å; I59-L61 VanDerWaalsContact C-N 3.34Å; I59-L61 PolarHBondContact O-N 3.45Å
62	N	46.5	Very low	43.1	Very low	129 Å²	129	113.5 Å²	113.5	69%	0.69	66%	0.664	S	S	*	*	H	α-helix	trans	-81.5	-20	177.8	-72.6	-18	0	0	0	113.2	Q58 I59 G64	Q58-N62 WeakPolarHBondContact O-CB 3.44Å; Q58-N62 PolarHBondContact O-N 3.5Å; Q58-N62 VanDerWaalsContact O-N 3.08Å; I59-N62 PolarHBondContact O-N 3.27Å; N62-G64 PolarHBondContact O-N 3.41Å
63	G	38.3	Very low	40.9	Very low	62 Å²	62	114.1 Å²	114.1	64%	0.639	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-68.4	-13	173.9	0	0	0	0	0	114.3	I59 N65	I59-G63 PolarHBondContact O-N 3.07Å; G63-N65 VanDerWaalsContact C-N 3.35Å; G63-N65 PolarHBondContact O-N 3.5Å
64	G	35.8	Very low	39.1	Very low	59 Å²	59	119.8 Å²	119.8	61%	0.608	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-75.8	-9.3	-177.5	0	0	0	0	0	116.4	N62	N62-G64 PolarHBondContact O-N 3.41Å
65	N	34.5	Very low	37.1	Very low	151 Å²	151	118.5 Å²	118.5	81%	0.807	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-120.5	15.3	-166.7	-96.7	-8.9	0	0	0	117.5	G63	G63-N65 VanDerWaalsContact C-N 3.35Å; G63-N65 PolarHBondContact O-N 3.5Å
66	L	31.1	Very low	35.5	Very low	171 Å²	171	120.1 Å²	120.1	90%	0.895	73%	0.733	S	S	*	*			trans	-105.2	80.1	170.8	-74.4	161	0	0	0	110.6
67	R	29.8	Very low	34.1	Very low	231 Å²	231	120.4 Å²	120.4	87%	0.872	74%	0.744	S	S	*	*			trans	-64.8	134.9	165.4	-78.6	-178	172.9	-149.9	-1.5	110.5
68	S	28.7	Very low	32.7	Very low	119 Å²	119	117.3 Å²	117.3	83%	0.832	75%	0.748	S	S	*	*			trans	49.7	107.5	148.8	61.5	0	0	0	0	118.6
69	G	26.1	Very low	31.7	Very low	82 Å²	82	118.4 Å²	118.4	85%	0.845	76%	0.756	S	S	*	*			trans	174.3	94.6	161	0	0	0	0	0	114.7
70	G	25.5	Very low	30.4	Very low	71 Å²	71	121.6 Å²	121.6	73%	0.732	77%	0.769	S	S	*	*			trans	44.5	107.9	141.8	0	0	0	0	0	121.3
71	S	25	Very low	29.4	Very low	124 Å²	124	124.7 Å²	124.7	87%	0.867	78%	0.777	S	S	*	*			trans	20.3	109.4	139.2	66.6	0	0	0	0	119.7
72	S	26.9	Very low	28.3	Very low	104 Å²	104	125.6 Å²	125.6	73%	0.727	78%	0.781	S	S	*	*			trans	-158.8	133.2	132.9	51.3	0	0	0	0	109.2	H74	S72-H74 PolarHBondContact O-N 3.46Å; S72-H74 VanDerWaalsContact O-N 3.13Å
73	G	23.1	Very low	27.2	Very low	82 Å²	82	127.3 Å²	127.3	85%	0.845	78%	0.784	S	S	*	*			trans	-71	104	-176.9	0	0	0	0	0	111.1
74	H	27.1	Very low	26.6	Very low	170 Å²	170	129.6 Å²	129.6	79%	0.787	78%	0.781	S	S	*	*			trans	-112.8	110.3	156.1	-81.3	-71.2	0	0	0	107.6	S72 S76	S72-H74 PolarHBondContact O-N 3.46Å; S72-H74 VanDerWaalsContact O-N 3.13Å; H74-S76 PolarHBondContact O-N 3.36Å; H74-S76 VanDerWaalsContact O-N 3.16Å
75	S	24.5	Very low	26.1	Very low	117 Å²	117	132.4 Å²	132.4	82%	0.818	79%	0.789	S	S	*	*			trans	-51.7	117.1	167	48.7	0	0	0	0	108.7
76	S	24.2	Very low	25.8	Very low	102 Å²	102	132.7 Å²	132.7	71%	0.713	79%	0.789	S	S	*	*			trans	-50.9	124.9	176.3	51.4	0	0	0	0	110.7	H74 G78	H74-S76 PolarHBondContact O-N 3.36Å; H74-S76 VanDerWaalsContact O-N 3.16Å; S76-G78 PolarHBondContact O-N 3.02Å; S76-G78 VanDerWaalsContact O-N 3.15Å
77	P	25.4	Very low	25.6	Very low	118 Å²	118	132.3 Å²	132.3	77%	0.766	79%	0.787	S	S	*	*			trans	-66.7	115.9	163.9	28.8	-27.5	0	0	0	106	I79	P77-I79 PolarHBondContact O-N 3.23Å; P77-I79 VanDerWaalsContact O-N 3.15Å
78	G	22.9	Very low	25.5	Very low	67 Å²	67	127.7 Å²	127.7	69%	0.691	78%	0.78	S	S	*	*			trans	-55.7	121.2	174.4	0	0	0	0	0	108.3	S76 E80	S76-G78 PolarHBondContact O-N 3.02Å; S76-G78 VanDerWaalsContact O-N 3.15Å; G78-E80 PolarHBondContact O-N 3.13Å
79	I	26.3	Very low	25.5	Very low	155 Å²	155	130.7 Å²	130.7	80%	0.795	78%	0.783	S	S	*	*			trans	-60.2	104.8	169.3	-63.8	169.7	0	0	0	105.2	P77 F81	P77-I79 PolarHBondContact O-N 3.23Å; P77-I79 VanDerWaalsContact O-N 3.15Å; I79-F81 PolarHBondContact O-N 3.13Å
80	E	22.3	Very low	25.5	Very low	180 Å²	180	134.8 Å²	134.8	84%	0.841	78%	0.78	S	S	*	*			trans	-57.4	107.4	170.8	-82.5	-175.2	153.8	0	0	107	G78 I82	G78-E80 PolarHBondContact O-N 3.13Å; E80-I82 PolarHBondContact O-N 3.34Å
81	F	24.6	Very low	25.6	Very low	185 Å²	185	134.9 Å²	134.9	81%	0.811	78%	0.781	S	S	*	*			trans	-54.3	113.5	167.7	-86.4	-95.6	0	0	0	106.9	I79 H83	I79-F81 PolarHBondContact O-N 3.13Å; F81-H83 PolarHBondContact O-N 3.38Å
82	I	26.6	Very low	25.6	Very low	159 Å²	159	138.5 Å²	138.5	82%	0.815	78%	0.784	S	S	*	*			trans	-57.8	95.4	166.8	-61.6	172.5	0	0	0	105.8	E80 L84	E80-I82 PolarHBondContact O-N 3.34Å; I82-L84 VanDerWaalsContact C-N 3.33Å; I82-L84 PolarHBondContact O-N 3.43Å
83	H	23.1	Very low	25.6	Very low	165 Å²	165	141.7 Å²	141.7	76%	0.764	79%	0.788	S	S	*	*			trans	-71.9	94.5	-179.5	-132.3	-74.8	0	0	0	106.2	F81 P85	F81-H83 PolarHBondContact O-N 3.38Å; H83-P85 VanDerWaalsContact O-CD 3.27Å; H83-P85 WeakPolarHBondContact O-CD 3.43Å; H83-P85 VanDerWaalsContact O-N 3.15Å
84	L	25.1	Very low	25.7	Very low	110 Å²	110	147 Å²	147	58%	0.576	79%	0.791	S	S	*	*			trans	-55.5	118.6	170.2	-137.4	83.1	0	0	0	106.7	I82 L86	I82-L84 VanDerWaalsContact C-N 3.33Å; I82-L84 PolarHBondContact O-N 3.43Å; L84-L86 PolarHBondContact O-N 3.09Å
85	P	25.7	Very low	25.7	Very low	118 Å²	118	144 Å²	144	77%	0.766	78%	0.784	S	S	*	*			trans	-65.1	106.2	179.9	-16.4	29.3	0	0	0	108.2	H83 L87	H83-P85 VanDerWaalsContact O-CD 3.27Å; H83-P85 WeakPolarHBondContact O-CD 3.43Å; H83-P85 VanDerWaalsContact O-N 3.15Å; P85-L87 PolarHBondContact O-N 2.85Å
86	L	26.9	Very low	25.7	Very low	156 Å²	156	148.2 Å²	148.2	82%	0.817	79%	0.788	S	S	*	*			trans	-62.4	115.7	165.9	-90.7	148.3	0	0	0	106.6	L84 N88	L84-L86 PolarHBondContact O-N 3.09Å; L86-N88 PolarHBondContact O-N 2.81Å
87	L	27.9	Very low	25.8	Very low	163 Å²	163	151.4 Å²	151.4	85%	0.853	79%	0.794	S	S	*	*			trans	-55.6	83	173.4	-84.3	140.6	0	0	0	110.3	P85	P85-L87 PolarHBondContact O-N 2.85Å
88	N	26.7	Very low	25.8	Very low	135 Å²	135	149.3 Å²	149.3	72%	0.722	79%	0.793	S	S	*	*			trans	-97.8	119.4	162.6	-91.7	4.3	0	0	0	108.4	L86 E90	L86-N88 PolarHBondContact O-N 2.81Å; N88-E90 VanDerWaalsContact C-N 3.26Å; N88-E90 PolarHBondContact O-N 3.27Å
89	M	29.7	Very low	26	Very low	182 Å²	182	152.7 Å²	152.7	90%	0.897	80%	0.8	S	S	*	*			trans	-74.8	72.8	178.8	-71.3	-84.3	-66.4	0	0	109.6
90	E	26.5	Very low	25.9	Very low	168 Å²	168	149.7 Å²	149.7	79%	0.785	80%	0.799	S	S	*	*			trans	-136.8	120.6	173.8	-69.3	-173.2	176.1	0	0	110.8	N88	N88-E90 VanDerWaalsContact C-N 3.26Å; N88-E90 PolarHBondContact O-N 3.27Å
91	G	27.8	Very low	25.9	Very low	73 Å²	73	149.4 Å²	149.4	75%	0.753	80%	0.797	S	S	*	*			trans	66.7	111.7	143.4	0	0	0	0	0	118.1	Q93	G91-Q93 PolarHBondContact O-N 3.26Å
92	E	25.1	Very low	26.2	Very low	199 Å²	199	146 Å²	146	93%	0.93	79%	0.794	S	S	*	*			trans	-45.3	106.1	163.4	-62.3	174.4	151.5	0	0	112.4
93	Q	26.5	Very low	26.1	Very low	172 Å²	172	143.6 Å²	143.6	80%	0.804	79%	0.791	S	S	*	*			trans	-126.8	102.5	156.6	-71.5	-166.3	1.9	0	0	109.1	G91 T95	G91-Q93 PolarHBondContact O-N 3.26Å; Q93-T95 VanDerWaalsContact C-N 3.29Å; Q93-T95 PolarHBondContact O-N 3.32Å
94	Q	25.2	Very low	26.4	Very low	192 Å²	192	143.3 Å²	143.3	90%	0.897	79%	0.793	S	S	*	*			trans	-65.3	84.1	168.1	-71.4	178.2	-11.7	0	0	109.6	K96	Q94-K96 PolarHBondContact O-N 2.96Å
95	T	25.8	Very low	26.4	Very low	107 Å²	107	145.3 Å²	145.3	66%	0.656	81%	0.805	S	S	*	*			trans	-92.7	97	163.3	45.1	0	0	0	0	109	Q93 M97	Q93-T95 VanDerWaalsContact C-N 3.29Å; Q93-T95 PolarHBondContact O-N 3.32Å; T95-M97 VanDerWaalsContact C-N 3.3Å; T95-M97 PolarHBondContact O-N 3.17Å
96	K	25.2	Very low	26.5	Very low	207 Å²	207	143 Å²	143	90%	0.9	80%	0.802	S	S	*	*			trans	-55.9	93.5	159.1	-73.2	176	175.1	175.9	0	108.2	Q94	Q94-K96 PolarHBondContact O-N 2.96Å
97	M	25.6	Very low	26.5	Very low	169 Å²	169	143.5 Å²	143.5	83%	0.833	80%	0.804	S	S	*	*			trans	-100	115	162.1	-78.5	-156.7	-70.7	0	0	108.7	T95	T95-M97 VanDerWaalsContact C-N 3.3Å; T95-M97 PolarHBondContact O-N 3.17Å
98	G	25.4	Very low	26.5	Very low	73 Å²	73	138.6 Å²	138.6	75%	0.753	79%	0.793	S	S	*	*			trans	-58.3	139.2	172.3	0	0	0	0	0	110.5	A100	G98-A100 PolarHBondContact O-N 3.03Å; G98-A100 VanDerWaalsContact O-N 3.09Å
99	V	27.2	Very low	27	Very low	138 Å²	138	138 Å²	138	84%	0.836	79%	0.794	S	S	*	*			trans	-63.3	102.5	172.7	-179.6	0	0	0	0	107.8	E101	V99-E101 HydrophobicContact CG1-CG 4.33Å
100	A	25	Very low	27.3	Very low	92 Å²	92	137.3 Å²	137.3	76%	0.76	79%	0.794	S	S	*	*			trans	-99.6	106.7	163.9	0	0	0	0	0	107.1	G98 P102	G98-A100 PolarHBondContact O-N 3.03Å; G98-A100 VanDerWaalsContact O-N 3.09Å; A100-P102 WeakPolarHBondContact O-CD 3.38Å
101	E	22.8	Very low	27.8	Very low	174 Å²	174	130.6 Å²	130.6	81%	0.813	77%	0.77	S	S	*	*			trans	-67	119.1	173.2	-64.1	176.2	163.2	0	0	109.5	V99 S103	V99-E101 HydrophobicContact CG1-CG 4.33Å; E101-S103 PolarHBondContact O-N 3.24Å
102	P	29.5	Very low	28.7	Very low	115 Å²	115	131.6 Å²	131.6	75%	0.747	77%	0.766	S	S	*	*			trans	-88.4	96.4	168.3	30.2	-20.6	0	0	0	108.4	A100 I104	A100-P102 WeakPolarHBondContact O-CD 3.38Å; P102-I104 PolarHBondContact O-N 3.11Å
103	S	25	Very low	29.5	Very low	107 Å²	107	125.3 Å²	125.3	75%	0.748	75%	0.748	S	S	*	*			trans	-69.3	104.2	164	58	0	0	0	0	109.4	E101	E101-S103 PolarHBondContact O-N 3.24Å
104	I	29.5	Very low	30.6	Very low	159 Å²	159	119.4 Å²	119.4	82%	0.815	73%	0.725	S	S	*	*			trans	-119.8	105.3	163.5	-62.5	-179.3	0	0	0	108.7	P102	P102-I104 PolarHBondContact O-N 3.11Å
105	N	25.9	Very low	32	Very low	153 Å²	153	116.4 Å²	116.4	82%	0.818	71%	0.712	S	S	*	*			trans	-66.6	134.6	170.7	-75.6	-40	0	0	0	111.1
106	G	26.7	Very low	33.5	Very low	69 Å²	69	113.6 Å²	113.6	71%	0.711	70%	0.699	S	S	*	*			trans	77.7	78.8	130.1	0	0	0	0	0	118.1
107	I	27.7	Very low	35.1	Very low	167 Å²	167	110.8 Å²	110.8	86%	0.856	68%	0.684	S	S	*	*			trans	-135	103.5	138.3	-60.8	-177.6	0	0	0	107.4
108	G	28.6	Very low	36.8	Very low	60 Å²	60	105.3 Å²	105.3	62%	0.619	66%	0.658	S	S	*	*			trans	-70.7	136.8	165	0	0	0	0	0	109.6
109	T	35.9	Very low	38.8	Very low	121 Å²	121	108.4 Å²	108.4	74%	0.742	65%	0.652	S	S	*	*	S	Bend	trans	169.4	118	132.3	40.7	0	0	0	0	110.4	G111	T109-G111 PolarHBondContact O-N 3.43Å
110	N	35.8	Very low	40.8	Very low	168 Å²	168	108 Å²	108	90%	0.898	64%	0.641	S	S	*	*	S	Bend	trans	68.9	8.5	150.9	-55.8	-14.1	0	0	0	121.3
111	G	37.4	Very low	43	Very low	28 Å²	28	105.9 Å²	105.9	29%	0.289	62%	0.615	S	S	.	*			trans	-104	0.2	170.8	0	0	0	0	0	116	T109 A113 S114 E115	T109-G111 PolarHBondContact O-N 3.43Å; G111-A113 VanDerWaalsContact C-N 3.31Å; G111-A113 PolarHBondContact O-N 3.05Å; G111-A113 VanDerWaalsContact O-N 3.13Å; G111-S114 PolarHBondContact O-N 3.49Å; G111-S114 PolarHBondContact O-OG 3.03Å; G111-E115 PolarHBondContact O-N 3.1Å; G111-E115 VanDerWaalsContact O-N 3.16Å
112	S	46.3	Very low	45.3	Very low	94 Å²	94	99.4 Å²	99.4	66%	0.657	60%	0.596	S	S	*	*	H	α-helix	trans	-61.7	-30.7	-161.1	54.9	0	0	0	0	115.1	A116	S112-A116 WeakPolarHBondContact O-CB 3.37Å; S112-A116 PolarHBondContact O-N 3.24Å
113	A	41.7	Very low	47.7	Very low	66 Å²	66	99.7 Å²	99.7	55%	0.545	59%	0.591	S	S	.	*	H	α-helix	trans	-68.5	-43.7	175.1	0	0	0	0	0	111.5	G111 Y117	G111-A113 VanDerWaalsContact C-N 3.31Å; G111-A113 PolarHBondContact O-N 3.05Å; G111-A113 VanDerWaalsContact O-N 3.13Å; A113-Y117 WeakPolarHBondContact O-CD2 3.4Å; A113-Y117 PolarHBondContact O-N 2.9Å
114	S	51.1	Low	50.1	Low	48 Å²	48	97.8 Å²	97.8	34%	0.336	57%	0.57	S	S	.	*	H	α-helix	trans	-73.2	-34.4	-177.2	57.3	0	0	0	0	113.6	G111 L118	G111-S114 PolarHBondContact O-N 3.49Å; G111-S114 PolarHBondContact O-OG 3.03Å; S114-L118 WeakPolarHBondContact O-CG 3.43Å; S114-L118 PolarHBondContact O-N 3.38Å; S114-L118 VanDerWaalsContact O-N 3.1Å
115	E	53.5	Low	52.4	Low	130 Å²	130	91.7 Å²	91.7	61%	0.607	54%	0.539	S	S	*	.	H	α-helix	trans	-66.6	-44.2	174.4	-83.6	175.6	157.9	0	0	111.4	G111 Y117 L118 E119	G111-E115 PolarHBondContact O-N 3.1Å; G111-E115 VanDerWaalsContact O-N 3.16Å; E115-Y117 VanDerWaalsContact C-N 3.31Å; E115-Y117 PolarHBondContact O-N 3.38Å; E115-L118 PolarHBondContact O-N 3.19Å; E115-L118 VanDerWaalsContact O-N 3.09Å; E115-E119 PolarHBondContact O-N 3.42Å
116	A	57	Low	54.9	Low	48 Å²	48	86.3 Å²	86.3	40%	0.397	52%	0.52	S	S	.	.	H	α-helix	trans	-61.3	-38.2	177	0	0	0	0	0	112.6	S112 Q120	S112-A116 WeakPolarHBondContact O-CB 3.37Å; S112-A116 PolarHBondContact O-N 3.24Å; A116-Q120 WeakPolarHBondContact O-CG 3.46Å; A116-Q120 PolarHBondContact O-N 3.25Å; A116-Q120 VanDerWaalsContact O-N 3.12Å
117	Y	59.5	Low	57.7	Low	147 Å²	147	90 Å²	90	58%	0.576	51%	0.512	S	S	*	.	H	α-helix	trans	-64.8	-41.7	173.4	-80.7	-67.1	0	0	0	111.9	A113 E115 Q120 F121	A113-Y117 WeakPolarHBondContact O-CD2 3.4Å; A113-Y117 PolarHBondContact O-N 2.9Å; E115-Y117 VanDerWaalsContact C-N 3.31Å; E115-Y117 PolarHBondContact O-N 3.38Å; Y117-Q120 PolarHBondContact O-N 3.45Å; Y117-F121 VanDerWaalsContact O-CD2 3.24Å; Y117-F121 WeakPolarHBondContact O-CD2 3.45Å; Y117-F121 PolarHBondContact O-N 3.45Å; Y117-F121 VanDerWaalsContact O-N 3.09Å
118	L	62.2	Low	60.1	Low	55 Å²	55	82.3 Å²	82.3	29%	0.288	47%	0.473	S	S	.	.	H	α-helix	trans	-65.3	-39.7	178.2	-75.8	168.5	0	0	0	112.3	L48 S114 E115 F121 G122	L48-L118 HydrophobicContact CD1-CD2 4.18Å; S114-L118 WeakPolarHBondContact O-CG 3.43Å; S114-L118 PolarHBondContact O-N 3.38Å; S114-L118 VanDerWaalsContact O-N 3.1Å; E115-L118 PolarHBondContact O-N 3.19Å; E115-L118 VanDerWaalsContact O-N 3.09Å; L118-F121 PolarHBondContact O-N 2.93Å; L118-G122 PolarHBondContact O-N 3.29Å
119	E	65.6	Low	62.6	Low	137 Å²	137	82.8 Å²	82.8	64%	0.64	46%	0.464	S	S	*	.	H	α-helix	trans	-63.2	-42	174.1	-76.3	-171.9	164.9	0	0	112.2	E115 F121 G122 N123	E115-E119 PolarHBondContact O-N 3.42Å; E119-F121 VanDerWaalsContact C-N 3.34Å; E119-F121 PolarHBondContact O-N 2.95Å; E119-G122 PolarHBondContact O-N 3.27Å; E119-N123 PolarHBondContact O-N 3.47Å; E119-N123 PolarHBondContact O-ND2 3.23Å
120	Q	69.9	Low	64.8	Low	129 Å²	129	79.6 Å²	79.6	60%	0.603	45%	0.449	S	S	*	.	H	α-helix	trans	-60.5	-42.5	174.9	-75.9	-177.8	-3	0	0	112	A116 Y117 N123 E124	A116-Q120 WeakPolarHBondContact O-CG 3.46Å; A116-Q120 PolarHBondContact O-N 3.25Å; A116-Q120 VanDerWaalsContact O-N 3.12Å; Y117-Q120 PolarHBondContact O-N 3.45Å; Q120-N123 PolarHBondContact O-N 3.14Å; Q120-E124 PolarHBondContact O-N 3.08Å; Q120-E124 VanDerWaalsContact O-N 3.07Å
121	F	72	Confident	67.1	Low	48 Å²	48	74.3 Å²	74.3	21%	0.211	42%	0.419	C	S	.	.	H	α-helix	trans	-64.8	-41.5	174.2	-86.4	-74.4	0	0	0	112.2	L48 L51 Y117 L118 E119 N123 E124 I125	L48-F121 HydrophobicContact CD1-CB 3.44Å; L48-F121 VanDerWaalsContact CD1-CB 3.44Å; L48-F121 HydrophobicContact CD1-CD1 4.39Å; L48-F121 HydrophobicContact CD1-CD2 4.48Å; L48-F121 HydrophobicContact CD1-CG 3.89Å; L51-F121 HydrophobicContact CD1-CD2 4.4Å; L51-F121 HydrophobicContact CD1-CE2 3.88Å; L51-F121 HydrophobicContact CD1-CZ 4.37Å; Y117-F121 VanDerWaalsContact O-CD2 3.24Å; Y117-F121 WeakPolarHBondContact O-CD2 3.45Å; Y117-F121 PolarHBondContact O-N 3.45Å; Y117-F121 VanDerWaalsContact O-N 3.09Å; L118-F121 PolarHBondContact O-N 2.93Å; E119-F121 VanDerWaalsContact C-N 3.34Å; E119-F121 PolarHBondContact O-N 2.95Å; F121-N123 VanDerWaalsContact C-N 3.35Å; F121-N123 PolarHBondContact O-N 3.11Å; F121-E124 PolarHBondContact O-N 3.01Å; F121-I125 WeakPolarHBondContact O-CB 3.42Å; F121-I125 VanDerWaalsContact O-CG1 3.22Å; F121-I125 WeakPolarHBondContact O-CG1 3.42Å; F121-I125 PolarHBondContact O-N 3.25Å
122	G	71.4	Confident	69.4	Low	39 Å²	39	73.9 Å²	73.9	40%	0.402	41%	0.41	S	S	.	.	H	α-helix	trans	-59.4	-44.7	176.6	0	0	0	0	0	112.4	L118 E119 I125 G126	L118-G122 PolarHBondContact O-N 3.29Å; E119-G122 PolarHBondContact O-N 3.27Å; G122-I125 PolarHBondContact O-N 3.32Å; G122-G126 PolarHBondContact O-N 3.45Å
123	N	78.2	Confident	71.2	Confident	121 Å²	121	79.1 Å²	79.1	65%	0.647	42%	0.415	S	S	*	.	H	α-helix	trans	-64.9	-41.6	177.5	-72.9	-24	0	0	0	112.4	E119 Q120 F121 G126 R127	E119-N123 PolarHBondContact O-N 3.47Å; E119-N123 PolarHBondContact O-ND2 3.23Å; Q120-N123 PolarHBondContact O-N 3.14Å; F121-N123 VanDerWaalsContact C-N 3.35Å; F121-N123 PolarHBondContact O-N 3.11Å; N123-G126 PolarHBondContact O-N 3.35Å; N123-R127 WeakPolarHBondContact O-CB 3.36Å; N123-R127 PolarHBondContact O-N 3.43Å
124	E	77	Confident	73.4	Confident	66 Å²	66	81 Å²	81	31%	0.308	42%	0.416	S	S	.	.	H	α-helix	trans	-68.5	-39.2	178.3	-169.2	65.3	-174.1	0	0	112.1	Q44 Q120 F121 G126 R127 L128	Q44-E124 VanDerWaalsContact NE2-CG 3.27Å; Q120-E124 PolarHBondContact O-N 3.08Å; Q120-E124 VanDerWaalsContact O-N 3.07Å; F121-E124 PolarHBondContact O-N 3.01Å; E124-G126 VanDerWaalsContact C-N 3.35Å; E124-R127 PolarHBondContact O-N 2.88Å; E124-L128 WeakPolarHBondContact O-CG 3.45Å; E124-L128 PolarHBondContact O-N 3Å
125	I	77.3	Confident	75.2	Confident	31 Å²	31	80.9 Å²	80.9	16%	0.159	41%	0.409	C	S	.	.	H	α-helix	trans	-61.9	-44	171.9	-72.4	173.5	0	0	0	110.4	F41 V45 L48 F121 G122 L128 T129	F41-I125 HydrophobicContact CD2-CG2 4.3Å; F41-I125 HydrophobicContact CE2-CG2 3.58Å; F41-I125 HydrophobicContact CZ-CG2 4.31Å; V45-I125 HydrophobicContact CG2-CD1 4.27Å; L48-I125 HydrophobicContact CD1-CD1 4.38Å; F121-I125 WeakPolarHBondContact O-CB 3.42Å; F121-I125 VanDerWaalsContact O-CG1 3.22Å; F121-I125 WeakPolarHBondContact O-CG1 3.42Å; F121-I125 PolarHBondContact O-N 3.25Å; G122-I125 PolarHBondContact O-N 3.32Å; I125-L128 PolarHBondContact O-N 3.06Å; I125-T129 WeakPolarHBondContact O-CB 3.42Å; I125-T129 PolarHBondContact O-N 3.48Å; I125-T129 PolarHBondContact O-OG1 3.42Å
126	G	77.9	Confident	76.8	Confident	41 Å²	41	77.4 Å²	77.4	42%	0.423	39%	0.394	S	S	.	.	H	α-helix	trans	-59.8	-44.7	175.6	0	0	0	0	0	112.2	G122 N123 E124 T129 A130	G122-G126 PolarHBondContact O-N 3.45Å; N123-G126 PolarHBondContact O-N 3.35Å; E124-G126 VanDerWaalsContact C-N 3.35Å; G126-T129 PolarHBondContact O-N 2.99Å; G126-A130 PolarHBondContact O-N 3.06Å
127	R	85.3	Confident	78.2	Confident	147 Å²	147	77.1 Å²	77.1	56%	0.555	40%	0.397	S	S	*	.	H	α-helix	trans	-60.2	-52.8	175.6	-178.2	-174.4	174.2	160.7	1.9	112.1	N123 E124 T129 A130 E131	N123-R127 WeakPolarHBondContact O-CB 3.36Å; N123-R127 PolarHBondContact O-N 3.43Å; E124-R127 PolarHBondContact O-N 2.88Å; R127-T129 VanDerWaalsContact C-N 3.25Å; R127-T129 PolarHBondContact O-N 3.13Å; R127-A130 WeakPolarHBondContact O-CB 3.42Å; R127-A130 PolarHBondContact O-N 3.36Å; R127-A130 VanDerWaalsContact O-N 3.14Å; R127-E131 IonicContact CZ-OE1 3.91Å; R127-E131 IonicContact NE-OE1 3.78Å; R127-E131 PolarHBondContact NE-OE1 3.27Å; R127-E131 IonicContact NH2-OE1 3.47Å; R127-E131 PolarHBondContact NH2-OE1 3.21Å; R127-E131 PolarHBondContact O-N 3.28Å
128	L	77.8	Confident	79.6	Confident	4 Å²	4	74.8 Å²	74.8	2%	0.021	39%	0.391	C	S	.	.	H	α-helix	trans	-60	-37.3	178.3	-73	173.7	0	0	0	111.8	Q40 F41 Q44 E124 I125 E131 I132	Q40-L128 HydrophobicContact CG-CD1 4.03Å; F41-L128 HydrophobicContact CB-CD1 4.4Å; F41-L128 HydrophobicContact CD2-CB 4.34Å; Q44-L128 VanDerWaalsContact OE1-CD1 3.27Å; E124-L128 WeakPolarHBondContact O-CG 3.45Å; E124-L128 PolarHBondContact O-N 3Å; I125-L128 PolarHBondContact O-N 3.06Å; L128-E131 PolarHBondContact O-N 3.1Å; L128-I132 WeakPolarHBondContact O-CB 3.47Å; L128-I132 WeakPolarHBondContact O-CD1 3.47Å; L128-I132 WeakPolarHBondContact O-CG1 3.5Å; L128-I132 PolarHBondContact O-N 3.14Å
129	T	81.5	Confident	80.8	Confident	71 Å²	71	73 Å²	73	44%	0.436	38%	0.382	S	S	.	.	H	α-helix	trans	-65.1	-41.3	177.1	-55.5	0	0	0	0	111.5	F41 I125 G126 R127 R133	F41-T129 WeakPolarHBondContact CE2-OG1 3.39Å; I125-T129 WeakPolarHBondContact O-CB 3.42Å; I125-T129 PolarHBondContact O-N 3.48Å; I125-T129 PolarHBondContact O-OG1 3.42Å; G126-T129 PolarHBondContact O-N 2.99Å; R127-T129 VanDerWaalsContact C-N 3.25Å; R127-T129 PolarHBondContact O-N 3.13Å; T129-R133 WeakPolarHBondContact O-CB 3.37Å; T129-R133 PolarHBondContact O-N 3.18Å
130	A	81.5	Confident	81.6	Confident	53 Å²	53	68.9 Å²	68.9	44%	0.438	37%	0.369	S	S	.	.	H	α-helix	trans	-65.5	-44.9	176.1	0	0	0	0	0	111.9	G126 R127 R133 I134	G126-A130 PolarHBondContact O-N 3.06Å; R127-A130 WeakPolarHBondContact O-CB 3.42Å; R127-A130 PolarHBondContact O-N 3.36Å; R127-A130 VanDerWaalsContact O-N 3.14Å; A130-R133 WeakPolarHBondContact O-CB 3.46Å; A130-R133 PolarHBondContact O-N 3.42Å; A130-I134 WeakPolarHBondContact O-CG1 3.47Å; A130-I134 PolarHBondContact O-N 3.49Å
131	E	85.2	Confident	82.5	Confident	57 Å²	57	66.8 Å²	66.8	27%	0.266	36%	0.362	S	S	.	.	H	α-helix	trans	-61.8	-46.5	177.6	-72.3	174.7	-178.2	0	0	111.6	R127 L128 R133 I134 K135	R127-E131 IonicContact CZ-OE1 3.91Å; R127-E131 IonicContact NE-OE1 3.78Å; R127-E131 PolarHBondContact NE-OE1 3.27Å; R127-E131 IonicContact NH2-OE1 3.47Å; R127-E131 PolarHBondContact NH2-OE1 3.21Å; R127-E131 PolarHBondContact O-N 3.28Å; L128-E131 PolarHBondContact O-N 3.1Å; E131-R133 VanDerWaalsContact C-N 3.27Å; E131-R133 PolarHBondContact O-N 3.4Å; E131-I134 PolarHBondContact O-N 3.28Å; E131-K135 PolarHBondContact O-N 3.08Å
132	I	84.5	Confident	83.2	Confident	19 Å²	19	66.3 Å²	66.3	10%	0.097	36%	0.361	C	S	.	.	H	α-helix	trans	-58.8	-39.9	174.9	-70.6	165.6	0	0	0	110.9	E37 R38 F41 L128 N136	E37-I132 HydrophobicContact CB-CD1 4.14Å; E37-I132 HydrophobicContact CB-CG1 3.75Å; R38-I132 HydrophobicContact CG-CD1 4.03Å; R38-I132 HydrophobicContact CG-CG1 4.5Å; R38-I132 HydrophobicContact CG-CG2 4.48Å; F41-I132 HydrophobicContact CB-CD1 4.3Å; L128-I132 WeakPolarHBondContact O-CB 3.47Å; L128-I132 WeakPolarHBondContact O-CD1 3.47Å; L128-I132 WeakPolarHBondContact O-CG1 3.5Å; L128-I132 PolarHBondContact O-N 3.14Å; I132-N136 WeakPolarHBondContact CG2-ND2 3.47Å; I132-N136 VanDerWaalsContact O-CB 3.31Å; I132-N136 WeakPolarHBondContact O-CB 3.4Å; I132-N136 PolarHBondContact O-N 3.44Å; I132-N136 PolarHBondContact O-ND2 3.2Å; I132-N136 VanDerWaalsContact O-ND2 3.12Å
133	R	85.3	Confident	84	Confident	204 Å²	204	69.3 Å²	69.3	77%	0.77	37%	0.365	S	S	*	.	H	α-helix	trans	-65.4	-43.6	179.4	-170.6	176.7	-174.1	159.7	2.7	111.8	T129 A130 E131 G137	T129-R133 WeakPolarHBondContact O-CB 3.37Å; T129-R133 PolarHBondContact O-N 3.18Å; A130-R133 WeakPolarHBondContact O-CB 3.46Å; A130-R133 PolarHBondContact O-N 3.42Å; E131-R133 VanDerWaalsContact C-N 3.27Å; E131-R133 PolarHBondContact O-N 3.4Å; R133-G137 PolarHBondContact O-N 3.1Å; R133-G137 VanDerWaalsContact O-N 3.17Å
134	I	87.1	Confident	84.4	Confident	107 Å²	107	70.3 Å²	70.3	55%	0.549	36%	0.363	S	S	.	.	H	α-helix	trans	-62.2	-50.3	177.3	-67.3	166	0	0	0	110	A130 E131 N136 G137 E138	A130-I134 WeakPolarHBondContact O-CG1 3.47Å; A130-I134 PolarHBondContact O-N 3.49Å; E131-I134 PolarHBondContact O-N 3.28Å; I134-N136 PolarHBondContact O-N 3.34Å; I134-G137 WeakPolarHBondContact O-CA 3.38Å; I134-G137 PolarHBondContact O-N 3.5Å; I134-E138 PolarHBondContact O-N 3.2Å
135	K	88.7	Confident	85	Confident	45 Å²	45	72 Å²	72	20%	0.196	37%	0.37	C	S	.	.	H	α-helix	trans	-65.2	-37.1	-179.6	-68.9	-175.8	178.2	177.7	0	113.2	L30 S33 V34 E37 E131 G137 E138 V139	L30-K135 HydrophobicContact CD1-CB 4.25Å; L30-K135 HydrophobicContact CD1-CD 4.33Å; L30-K135 HydrophobicContact CD1-CG 4.17Å; S33-K135 PolarHBondContact OG-NZ 3.13Å; V34-K135 HydrophobicContact CG2-CB 3.46Å; V34-K135 VanDerWaalsContact CG2-CB 3.46Å; V34-K135 HydrophobicContact CG2-CD 4.15Å; V34-K135 HydrophobicContact CG2-CG 4.44Å; E37-K135 WeakPolarHBondContact OE1-CE 3.38Å; E37-K135 IonicContact OE1-NZ 3.73Å; E37-K135 PolarHBondContact OE1-NZ 2.93Å; E37-K135 IonicContact OE2-NZ 3.22Å; E131-K135 PolarHBondContact O-N 3.08Å; K135-G137 PolarHBondContact O-N 3.23Å; K135-E138 PolarHBondContact O-N 3.34Å; K135-V139 WeakPolarHBondContact O-CG2 3.41Å; K135-V139 PolarHBondContact O-N 3.47Å
136	N	87.6	Confident	85.5	Confident	56 Å²	56	71.5 Å²	71.5	30%	0.299	37%	0.367	S	S	.	.	H	α-helix	trans	-60.9	-35.9	172.5	-74	-30	0	0	0	111.5	R38 I132 I134 S140	R38-N136 PolarHBondContact NH2-OD1 2.92Å; I132-N136 WeakPolarHBondContact CG2-ND2 3.47Å; I132-N136 VanDerWaalsContact O-CB 3.31Å; I132-N136 WeakPolarHBondContact O-CB 3.4Å; I132-N136 PolarHBondContact O-N 3.44Å; I132-N136 PolarHBondContact O-ND2 3.2Å; I132-N136 VanDerWaalsContact O-ND2 3.12Å; I134-N136 PolarHBondContact O-N 3.34Å; N136-S140 PolarHBondContact O-N 2.9Å; N136-S140 VanDerWaalsContact O-N 3.07Å
137	G	86.5	Confident	85.9	Confident	43 Å²	43	72.2 Å²	72.2	44%	0.443	37%	0.365	S	S	.	.	H	α-helix	trans	-64.5	-43	173.2	0	0	0	0	0	112.7	R133 I134 K135 S140 N141	R133-G137 PolarHBondContact O-N 3.1Å; R133-G137 VanDerWaalsContact O-N 3.17Å; I134-G137 WeakPolarHBondContact O-CA 3.38Å; I134-G137 PolarHBondContact O-N 3.5Å; K135-G137 PolarHBondContact O-N 3.23Å; G137-S140 PolarHBondContact O-N 3.37Å; G137-N141 PolarHBondContact O-N 2.89Å
138	E	88.2	Confident	85.9	Confident	97 Å²	97	70 Å²	70	45%	0.453	37%	0.368	S	S	.	.	H	α-helix	trans	-63.5	-41.6	175	-69.1	176.3	169.8	0	0	112.4	L30 I134 K135 S140 N141 L142	L30-E138 HydrophobicContact CD2-CB 3.63Å; I134-E138 PolarHBondContact O-N 3.2Å; K135-E138 PolarHBondContact O-N 3.34Å; E138-S140 PolarHBondContact O-N 2.89Å; E138-N141 PolarHBondContact O-N 3.42Å; E138-L142 WeakPolarHBondContact O-CG 3.39Å; E138-L142 PolarHBondContact O-N 2.94Å
139	V	88.3	Confident	86.2	Confident	17 Å²	17	73.3 Å²	73.3	10%	0.103	38%	0.38	C	S	.	.	H	α-helix	trans	-57.9	-48.2	173.3	169	0	0	0	0	110.5	L27 L30 T31 V34 K135 N141 L142 Q143	L27-V139 HydrophobicContact CD1-CG1 3.96Å; L30-V139 HydrophobicContact CB-CG2 4.42Å; L30-V139 HydrophobicContact CD2-CB 4.3Å; L30-V139 HydrophobicContact CD2-CG2 3.47Å; L30-V139 VanDerWaalsContact CD2-CG2 3.47Å; L30-V139 HydrophobicContact CG-CG2 3.69Å; T31-V139 HydrophobicContact CG2-CG1 4.38Å; T31-V139 HydrophobicContact CG2-CG2 4.29Å; V34-V139 HydrophobicContact CG2-CG2 4.44Å; K135-V139 WeakPolarHBondContact O-CG2 3.41Å; K135-V139 PolarHBondContact O-N 3.47Å; V139-N141 VanDerWaalsContact C-N 3.32Å; V139-N141 PolarHBondContact O-N 3.31Å; V139-L142 PolarHBondContact O-N 3.01Å; V139-Q143 HydrophobicContact CG1-CG 4.48Å; V139-Q143 WeakPolarHBondContact O-CG 3.38Å; V139-Q143 PolarHBondContact O-N 2.98Å
140	S	82.3	Confident	86.4	Confident	52 Å²	52	72.9 Å²	72.9	36%	0.364	37%	0.373	S	S	.	.	H	α-helix	trans	-61.7	-40	178.7	-175.4	0	0	0	0	112.1	N136 G137 E138 Q143 K144	N136-S140 PolarHBondContact O-N 2.9Å; N136-S140 VanDerWaalsContact O-N 3.07Å; G137-S140 PolarHBondContact O-N 3.37Å; E138-S140 PolarHBondContact O-N 2.89Å; S140-Q143 PolarHBondContact O-N 2.86Å; S140-K144 WeakPolarHBondContact O-CG 3.44Å; S140-K144 PolarHBondContact O-N 3.39Å; S140-K144 VanDerWaalsContact O-N 3.08Å
141	N	89.6	Confident	86.5	Confident	85 Å²	85	74 Å²	74	46%	0.455	37%	0.372	S	S	.	.	H	α-helix	trans	-66.2	-43.1	176.9	-168.1	4.9	0	0	0	111.9	G137 E138 V139 K144 K145	G137-N141 PolarHBondContact O-N 2.89Å; E138-N141 PolarHBondContact O-N 3.42Å; V139-N141 VanDerWaalsContact C-N 3.32Å; V139-N141 PolarHBondContact O-N 3.31Å; N141-K144 PolarHBondContact O-N 3.05Å; N141-K145 WeakPolarHBondContact O-CG 3.41Å; N141-K145 PolarHBondContact O-N 3.31Å
142	L	86.2	Confident	86.4	Confident	38 Å²	38	74.1 Å²	74.1	20%	0.199	37%	0.373	C	S	.	.	H	α-helix	trans	-63.6	-42.2	175.7	-76.2	174.8	0	0	0	112	A26 L27 L30 E138 V139 K144 K145 L146	A26-L142 HydrophobicContact CB-CD1 4.48Å; L27-L142 HydrophobicContact CD1-CB 4.1Å; L30-L142 HydrophobicContact CD2-CD1 3.89Å; E138-L142 WeakPolarHBondContact O-CG 3.39Å; E138-L142 PolarHBondContact O-N 2.94Å; V139-L142 PolarHBondContact O-N 3.01Å; L142-K144 PolarHBondContact O-N 3.49Å; L142-K145 CarbonylContact O-C 3.59Å; L142-K145 PolarHBondContact O-N 3.11Å; L142-L146 WeakPolarHBondContact O-CB 3.48Å; L142-L146 PolarHBondContact O-N 3.09Å
143	Q	88.5	Confident	86.2	Confident	102 Å²	102	74.2 Å²	74.2	48%	0.477	37%	0.374	S	S	.	.	H	α-helix	trans	-59.6	-43.7	175.2	-76.3	177.2	-24.7	0	0	112.2	L27 V139 S140 K145 L146 S147	L27-Q143 HydrophobicContact CD1-CG 4Å; L27-Q143 HydrophobicContact CD2-CG 4.14Å; V139-Q143 HydrophobicContact CG1-CG 4.48Å; V139-Q143 WeakPolarHBondContact O-CG 3.38Å; V139-Q143 PolarHBondContact O-N 2.98Å; S140-Q143 PolarHBondContact O-N 2.86Å; Q143-K145 PolarHBondContact O-N 2.78Å; Q143-L146 PolarHBondContact O-N 3.17Å; Q143-S147 PolarHBondContact O-N 3.12Å
144	K	87	Confident	85.9	Confident	141 Å²	141	69.9 Å²	69.9	61%	0.613	36%	0.357	S	S	*	.	H	α-helix	trans	-61	-45.4	174.3	-71.3	176.9	-176.8	-176.8	0	111.7	S140 N141 L142 L146 S147 V148	S140-K144 WeakPolarHBondContact O-CG 3.44Å; S140-K144 PolarHBondContact O-N 3.39Å; S140-K144 VanDerWaalsContact O-N 3.08Å; N141-K144 PolarHBondContact O-N 3.05Å; L142-K144 PolarHBondContact O-N 3.49Å; K144-L146 PolarHBondContact O-N 3.11Å; K144-S147 PolarHBondContact O-N 3.45Å; K144-V148 WeakPolarHBondContact O-CG2 3.4Å; K144-V148 PolarHBondContact O-N 3.11Å; K144-V148 VanDerWaalsContact O-N 3.14Å
145	K	88.2	Confident	85.6	Confident	103 Å²	103	68.5 Å²	68.5	45%	0.448	35%	0.349	S	S	.	.	H	α-helix	trans	-66.4	-23.4	177.8	-74.4	180	-179	179.8	0	113.8	K23 N141 L142 Q143	K23-K145 PolarHBondContact NZ-O 3.47Å; K23-K145 VanDerWaalsContact NZ-O 3.13Å; N141-K145 WeakPolarHBondContact O-CG 3.41Å; N141-K145 PolarHBondContact O-N 3.31Å; L142-K145 CarbonylContact O-C 3.59Å; L142-K145 PolarHBondContact O-N 3.11Å; Q143-K145 PolarHBondContact O-N 2.78Å
146	L	87.5	Confident	85	Confident	19 Å²	19	67.2 Å²	67.2	10%	0.099	34%	0.344	C	S	.	.	H	α-helix	trans	-82.1	-47.5	177	-171.7	146.5	0	0	0	110.2	E24 L27 L142 Q143 K144 V148 R149 E150	E24-L146 HydrophobicContact CG-CD1 3.65Å; L27-L146 HydrophobicContact CD2-CD1 4.36Å; L142-L146 WeakPolarHBondContact O-CB 3.48Å; L142-L146 PolarHBondContact O-N 3.09Å; Q143-L146 PolarHBondContact O-N 3.17Å; K144-L146 PolarHBondContact O-N 3.11Å; L146-V148 VanDerWaalsContact C-N 3.34Å; L146-V148 PolarHBondContact O-N 3.2Å; L146-R149 WeakPolarHBondContact O-CA 3.3Å; L146-R149 WeakPolarHBondContact O-CB 3.33Å; L146-R149 PolarHBondContact O-N 3.48Å; L146-E150 HydrophobicContact CD2-CG 4.01Å; L146-E150 WeakPolarHBondContact CD2-OE1 3.43Å; L146-E150 PolarHBondContact O-N 3.31Å
147	S	86.9	Confident	84.5	Confident	56 Å²	56	67.9 Å²	67.9	39%	0.392	35%	0.347	S	S	.	.	H	α-helix	trans	-52.9	-48	173.4	179.9	0	0	0	0	112.3	Q143 K144 R149 E150 D151	Q143-S147 PolarHBondContact O-N 3.12Å; K144-S147 PolarHBondContact O-N 3.45Å; S147-R149 PolarHBondContact O-N 3.44Å; S147-E150 PolarHBondContact O-N 2.96Å; S147-D151 VanDerWaalsContact O-CG 3.31Å; S147-D151 PolarHBondContact O-N 3.08Å
148	V	86.4	Confident	84.1	Confident	102 Å²	102	71.4 Å²	71.4	62%	0.618	35%	0.352	S	S	*	.	H	α-helix	trans	-61	-31.8	177.6	173	0	0	0	0	112.1	K144 L146 H152	K144-V148 WeakPolarHBondContact O-CG2 3.4Å; K144-V148 PolarHBondContact O-N 3.11Å; K144-V148 VanDerWaalsContact O-N 3.14Å; L146-V148 VanDerWaalsContact C-N 3.34Å; L146-V148 PolarHBondContact O-N 3.2Å; V148-H152 PolarHBondContact O-N 2.95Å
149	R	83.3	Confident	83.2	Confident	72 Å²	72	72.7 Å²	72.7	27%	0.272	35%	0.352	S	S	.	.	H	α-helix	trans	-77.1	-42.8	179.5	-144.6	81.4	165	128.8	0.2	111.1	L16 S19 L20 L146 S147 D151 H152 V153	L16-R149 HydrophobicContact CD2-CG 4.43Å; S19-R149 PolarHBondContact OG-NE 2.75Å; S19-R149 PolarHBondContact OG-NH2 2.84Å; L20-R149 HydrophobicContact CD1-CB 4.47Å; L146-R149 WeakPolarHBondContact O-CA 3.3Å; L146-R149 WeakPolarHBondContact O-CB 3.33Å; L146-R149 PolarHBondContact O-N 3.48Å; S147-R149 PolarHBondContact O-N 3.44Å; R149-D151 VanDerWaalsContact C-N 3.31Å; R149-D151 PolarHBondContact O-N 3.38Å; R149-H152 PolarHBondContact O-N 2.72Å; R149-V153 WeakPolarHBondContact O-CG2 3.39Å; R149-V153 PolarHBondContact O-N 2.85Å
150	E	85.6	Confident	82.4	Confident	62 Å²	62	74.8 Å²	74.8	29%	0.29	37%	0.367	S	S	.	.	H	α-helix	trans	-59.7	-42	174.7	-71.3	-176.5	177.3	0	0	111.7	L20 L146 S147 H152 V153 R154	L20-E150 HydrophobicContact CD1-CG 4.09Å; L146-E150 HydrophobicContact CD2-CG 4.01Å; L146-E150 WeakPolarHBondContact CD2-OE1 3.43Å; L146-E150 PolarHBondContact O-N 3.31Å; S147-E150 PolarHBondContact O-N 2.96Å; E150-H152 VanDerWaalsContact C-N 3.3Å; E150-H152 PolarHBondContact O-N 3.42Å; E150-V153 PolarHBondContact O-N 3.26Å; E150-R154 WeakPolarHBondContact O-CG 3.33Å; E150-R154 PolarHBondContact O-N 3.12Å; E150-R154 IonicContact OE2-CZ 3.89Å; E150-R154 IonicContact OE2-NH1 3.69Å; E150-R154 PolarHBondContact OE2-NH1 3.09Å; E150-R154 IonicContact OE2-NH2 2.81Å; E150-R154 PolarHBondContact OE2-NH2 3.34Å
151	D	82.9	Confident	81.8	Confident	77 Å²	77	78.2 Å²	78.2	41%	0.412	38%	0.377	S	S	.	.	H	α-helix	trans	-60.3	-41.9	175.5	-70.1	-30.9	0	0	0	111.3	S147 R149 V153 R154 E155	S147-D151 VanDerWaalsContact O-CG 3.31Å; S147-D151 PolarHBondContact O-N 3.08Å; R149-D151 VanDerWaalsContact C-N 3.31Å; R149-D151 PolarHBondContact O-N 3.38Å; D151-V153 PolarHBondContact O-N 2.93Å; D151-R154 PolarHBondContact O-N 3.49Å; D151-R154 IonicContact OD1-CZ 3.13Å; D151-R154 IonicContact OD1-NE 3.87Å; D151-R154 PolarHBondContact OD1-NE 2.92Å; D151-R154 IonicContact OD1-NH2 2.78Å; D151-R154 PolarHBondContact OD1-NH2 3.47Å; D151-E155 PolarHBondContact O-N 3.41Å
152	H	83.5	Confident	80.8	Confident	60 Å²	60	80.6 Å²	80.6	28%	0.278	39%	0.386	S	S	.	.	H	α-helix	trans	-68	-34.7	177.3	-167.4	60	0	0	0	113.1	H12 V148 R149 E150 E155 L156	H12-H152 AromaticContact CE1-NE2 3.68Å; V148-H152 PolarHBondContact O-N 2.95Å; R149-H152 PolarHBondContact O-N 2.72Å; E150-H152 VanDerWaalsContact C-N 3.3Å; E150-H152 PolarHBondContact O-N 3.42Å; H152-E155 IonicContact ND1-OE2 3.39Å; H152-L156 PolarHBondContact O-N 3.39Å; H152-L156 VanDerWaalsContact O-N 3.16Å
153	V	81	Confident	79.7	Confident	20 Å²	20	84 Å²	84	12%	0.121	40%	0.399	C	S	.	.	H	α-helix	trans	-67.4	-43.2	172.6	171.2	0	0	0	0	110.6	F13 L16 L20 R149 E150 D151 E155 L156 I157	F13-V153 HydrophobicContact CE2-CG1 3.95Å; F13-V153 HydrophobicContact CZ-CG1 4.47Å; L16-V153 HydrophobicContact CB-CG2 4.25Å; L20-V153 HydrophobicContact CD1-CG2 4.37Å; R149-V153 WeakPolarHBondContact O-CG2 3.39Å; R149-V153 PolarHBondContact O-N 2.85Å; E150-V153 PolarHBondContact O-N 3.26Å; D151-V153 PolarHBondContact O-N 2.93Å; V153-E155 PolarHBondContact O-N 2.93Å; V153-L156 PolarHBondContact O-N 3.24Å; V153-I157 HydrophobicContact CG1-CD1 3.86Å; V153-I157 HydrophobicContact CG1-CG1 4.46Å; V153-I157 WeakPolarHBondContact O-CG1 3.44Å; V153-I157 PolarHBondContact O-N 2.89Å
154	R	79.6	Confident	78.6	Confident	113 Å²	113	83.1 Å²	83.1	43%	0.426	40%	0.397	S	S	.	.	H	α-helix	trans	-58	-47.1	174.6	-78.2	-173.6	-81.2	-91.9	3.9	111.7	E150 D151 L156 I157 E158	E150-R154 WeakPolarHBondContact O-CG 3.33Å; E150-R154 PolarHBondContact O-N 3.12Å; E150-R154 IonicContact OE2-CZ 3.89Å; E150-R154 IonicContact OE2-NH1 3.69Å; E150-R154 PolarHBondContact OE2-NH1 3.09Å; E150-R154 IonicContact OE2-NH2 2.81Å; E150-R154 PolarHBondContact OE2-NH2 3.34Å; D151-R154 PolarHBondContact O-N 3.49Å; D151-R154 IonicContact OD1-CZ 3.13Å; D151-R154 IonicContact OD1-NE 3.87Å; D151-R154 PolarHBondContact OD1-NE 2.92Å; D151-R154 IonicContact OD1-NH2 2.78Å; D151-R154 PolarHBondContact OD1-NH2 3.47Å; R154-L156 VanDerWaalsContact C-N 3.3Å; R154-L156 PolarHBondContact O-N 3.2Å; R154-I157 PolarHBondContact O-N 3.17Å; R154-I157 VanDerWaalsContact O-N 3.14Å; R154-E158 WeakPolarHBondContact O-CG 3.34Å; R154-E158 PolarHBondContact O-N 2.75Å
155	E	80.2	Confident	77.2	Confident	78 Å²	78	83.2 Å²	83.2	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-59.3	-39.2	177.1	-170.3	-168.2	166.6	0	0	112.3	D151 H152 V153 R159	D151-E155 PolarHBondContact O-N 3.41Å; H152-E155 IonicContact ND1-OE2 3.39Å; V153-E155 PolarHBondContact O-N 2.93Å; E155-R159 WeakPolarHBondContact O-CG 3.5Å; E155-R159 PolarHBondContact O-N 3.3Å; E155-R159 VanDerWaalsContact O-N 3.13Å; E155-R159 IonicContact OE1-CZ 3.04Å; E155-R159 IonicContact OE1-NH1 3.41Å; E155-R159 PolarHBondContact OE1-NH1 3.03Å; E155-R159 VanDerWaalsContact OE1-NH1 3.15Å; E155-R159 IonicContact OE1-NH2 3.69Å; E155-R159 PolarHBondContact OE1-NH2 2.93Å
156	L	75.4	Confident	75.4	Confident	19 Å²	19	84.3 Å²	84.3	10%	0.099	41%	0.41	C	S	.	.	H	α-helix	trans	-70.8	-35.6	176.3	-80.1	165.2	0	0	0	112.9	L16 H152 V153 R154 C160	L16-L156 HydrophobicContact CD1-CD1 3.2Å; H152-L156 PolarHBondContact O-N 3.39Å; H152-L156 VanDerWaalsContact O-N 3.16Å; V153-L156 PolarHBondContact O-N 3.24Å; R154-L156 VanDerWaalsContact C-N 3.3Å; R154-L156 PolarHBondContact O-N 3.2Å; L156-C160 PolarHBondContact O-N 3.12Å; L156-C160 PolarHBondContact O-SG 3.17Å
157	I	78.6	Confident	74	Confident	69 Å²	69	89.1 Å²	89.1	35%	0.354	44%	0.435	S	S	.	.	H	α-helix	trans	-64.9	-48.7	175	-69.5	166.9	0	0	0	109.8	F13 V153 R154 R159 C160 E161	F13-I157 HydrophobicContact CE2-CD1 4.43Å; F13-I157 HydrophobicContact CE2-CG1 3.99Å; F13-I157 HydrophobicContact CZ-CG1 4.49Å; V153-I157 HydrophobicContact CG1-CD1 3.86Å; V153-I157 HydrophobicContact CG1-CG1 4.46Å; V153-I157 WeakPolarHBondContact O-CG1 3.44Å; V153-I157 PolarHBondContact O-N 2.89Å; R154-I157 PolarHBondContact O-N 3.17Å; R154-I157 VanDerWaalsContact O-N 3.14Å; I157-R159 VanDerWaalsContact C-N 3.32Å; I157-R159 PolarHBondContact O-N 2.84Å; I157-C160 WeakPolarHBondContact O-CA 3.46Å; I157-C160 WeakPolarHBondContact O-CB 3.35Å; I157-C160 PolarHBondContact O-N 3.02Å; I157-E161 HydrophobicContact CG2-CG 4.33Å; I157-E161 WeakPolarHBondContact O-CG 3.44Å; I157-E161 PolarHBondContact O-N 3.2Å
158	E	76.7	Confident	72.4	Confident	117 Å²	117	93.3 Å²	93.3	55%	0.547	44%	0.443	S	S	.	.	H	α-helix	trans	-56.4	-45.8	177.2	-72.2	176.3	177.3	0	0	111.2	R154 C160 E161 E162	R154-E158 WeakPolarHBondContact O-CG 3.34Å; R154-E158 PolarHBondContact O-N 2.75Å; E158-C160 VanDerWaalsContact C-N 3.3Å; E158-C160 PolarHBondContact O-N 3.13Å; E158-E161 PolarHBondContact O-N 3.35Å; E158-E162 WeakPolarHBondContact O-CG 3.4Å; E158-E162 PolarHBondContact O-N 2.92Å
159	R	70.2	Confident	70.7	Confident	124 Å²	124	91.4 Å²	91.4	47%	0.468	43%	0.434	S	S	.	.	H	α-helix	trans	-61.4	-34.1	174.4	-78.2	-177.7	175.5	140.4	11	113.8	E155 I157 K163	E155-R159 WeakPolarHBondContact O-CG 3.5Å; E155-R159 PolarHBondContact O-N 3.3Å; E155-R159 VanDerWaalsContact O-N 3.13Å; E155-R159 IonicContact OE1-CZ 3.04Å; E155-R159 IonicContact OE1-NH1 3.41Å; E155-R159 PolarHBondContact OE1-NH1 3.03Å; E155-R159 VanDerWaalsContact OE1-NH1 3.15Å; E155-R159 IonicContact OE1-NH2 3.69Å; E155-R159 PolarHBondContact OE1-NH2 2.93Å; I157-R159 VanDerWaalsContact C-N 3.32Å; I157-R159 PolarHBondContact O-N 2.84Å; R159-K163 WeakPolarHBondContact O-CG 3.15Å; R159-K163 PolarHBondContact O-N 3.41Å
160	C	70.2	Confident	69.1	Low	61 Å²	61	94.6 Å²	94.6	41%	0.412	45%	0.45	S	S	.	.	H	α-helix	trans	-72.6	-40.7	176.2	-75.4	0	0	0	0	111.3	L156 I157 E158 K163 D164	L156-C160 PolarHBondContact O-N 3.12Å; L156-C160 PolarHBondContact O-SG 3.17Å; I157-C160 WeakPolarHBondContact O-CA 3.46Å; I157-C160 WeakPolarHBondContact O-CB 3.35Å; I157-C160 PolarHBondContact O-N 3.02Å; E158-C160 VanDerWaalsContact C-N 3.3Å; E158-C160 PolarHBondContact O-N 3.13Å; C160-K163 PolarHBondContact O-N 3.07Å; C160-D164 WeakPolarHBondContact O-CB 3.34Å; C160-D164 PolarHBondContact O-N 3.22Å
161	E	71	Confident	67.5	Low	124 Å²	124	95 Å²	95	58%	0.579	46%	0.457	S	S	*	.	H	α-helix	trans	-63.3	-42.8	176.9	-70.9	-174.7	159.8	0	0	111.9	I157 E158 K163 D164 E165	I157-E161 HydrophobicContact CG2-CG 4.33Å; I157-E161 WeakPolarHBondContact O-CG 3.44Å; I157-E161 PolarHBondContact O-N 3.2Å; E158-E161 PolarHBondContact O-N 3.35Å; E161-K163 PolarHBondContact O-N 2.79Å; E161-D164 WeakPolarHBondContact O-CB 3.31Å; E161-D164 PolarHBondContact O-N 2.77Å; E161-E165 WeakPolarHBondContact O-CB 3.32Å; E161-E165 PolarHBondContact O-N 3.48Å
162	E	68.7	Low	66.1	Low	135 Å²	135	99.5 Å²	99.5	63%	0.631	47%	0.468	S	S	*	.	H	α-helix	trans	-59.5	-44.4	174.4	-73.3	178.3	169.7	0	0	112	E158 E165 L166	E158-E162 WeakPolarHBondContact O-CG 3.4Å; E158-E162 PolarHBondContact O-N 2.92Å; E162-E165 PolarHBondContact O-N 3.32Å; E162-L166 WeakPolarHBondContact O-CB 3.26Å; E162-L166 PolarHBondContact O-N 3.04Å
163	K	62	Low	64.2	Low	110 Å²	110	99.3 Å²	99.3	48%	0.478	48%	0.477	S	S	.	.	H	α-helix	trans	-64.9	-40.9	176.9	-77.5	179.3	-179.4	175.9	0	112.1	R159 C160 E161 L166 L167	R159-K163 WeakPolarHBondContact O-CG 3.15Å; R159-K163 PolarHBondContact O-N 3.41Å; C160-K163 PolarHBondContact O-N 3.07Å; E161-K163 PolarHBondContact O-N 2.79Å; K163-L166 PolarHBondContact O-N 2.99Å; K163-L167 PolarHBondContact O-N 3.48Å
164	D	65.8	Low	62.6	Low	83 Å²	83	102.6 Å²	102.6	44%	0.444	49%	0.494	S	S	.	.	H	α-helix	trans	-63.8	-42.4	176.6	-103.7	20.8	0	0	0	111.8	C160 E161 L166 L167 R168	C160-D164 WeakPolarHBondContact O-CB 3.34Å; C160-D164 PolarHBondContact O-N 3.22Å; E161-D164 WeakPolarHBondContact O-CB 3.31Å; E161-D164 PolarHBondContact O-N 2.77Å; D164-L166 VanDerWaalsContact C-N 3.33Å; D164-L167 PolarHBondContact O-N 3.02Å; D164-R168 WeakPolarHBondContact O-CB 3.41Å; D164-R168 WeakPolarHBondContact O-CG 3.29Å; D164-R168 PolarHBondContact O-N 2.79Å; D164-R168 IonicContact OD2-NH2 3.78Å; D164-R168 PolarHBondContact OD2-NH2 2.96Å
165	E	56.7	Low	61	Low	143 Å²	143	103.6 Å²	103.6	67%	0.668	50%	0.501	S	S	*	.	H	α-helix	trans	-64.9	-38.6	177.2	-169.9	160.9	-151.4	0	0	111.6	E161 E162 R168 S169	E161-E165 WeakPolarHBondContact O-CB 3.32Å; E161-E165 PolarHBondContact O-N 3.48Å; E162-E165 PolarHBondContact O-N 3.32Å; E165-R168 WeakPolarHBondContact O-CB 3.31Å; E165-R168 PolarHBondContact O-N 3.04Å; E165-S169 PolarHBondContact O-N 3.44Å
166	L	52	Low	59.5	Low	127 Å²	127	104 Å²	104	67%	0.665	51%	0.509	S	S	*	.	H	α-helix	trans	-64.8	-40.6	172.8	-160.1	101.1	0	0	0	112.3	E162 K163 D164 R168 S169 K170	E162-L166 WeakPolarHBondContact O-CB 3.26Å; E162-L166 PolarHBondContact O-N 3.04Å; K163-L166 PolarHBondContact O-N 2.99Å; D164-L166 VanDerWaalsContact C-N 3.33Å; L166-R168 VanDerWaalsContact C-N 3.32Å; L166-R168 PolarHBondContact O-N 3.39Å; L166-S169 PolarHBondContact O-N 3.43Å; L166-S169 PolarHBondContact O-OG 3.02Å; L166-K170 WeakPolarHBondContact O-CB 3.49Å; L166-K170 PolarHBondContact O-N 3.42Å
167	L	57.4	Low	58.1	Low	119 Å²	119	108.8 Å²	108.8	62%	0.623	53%	0.534	S	S	*	.	H	α-helix	trans	-68.3	-35.7	177.1	-138.9	118.7	0	0	0	111.2	K163 D164 T171	K163-L167 PolarHBondContact O-N 3.48Å; D164-L167 PolarHBondContact O-N 3.02Å; L167-T171 PolarHBondContact O-N 3.38Å; L167-T171 PolarHBondContact O-OG1 3.09Å
168	R	54	Low	56.6	Low	144 Å²	144	113.1 Å²	113.1	54%	0.543	55%	0.55	S	S	.	*	H	α-helix	trans	-66.4	-40.8	172.7	-72.2	171.3	-150.7	-166.3	7	111.9	D164 E165 L166 T171 R172	D164-R168 WeakPolarHBondContact O-CB 3.41Å; D164-R168 WeakPolarHBondContact O-CG 3.29Å; D164-R168 PolarHBondContact O-N 2.79Å; D164-R168 IonicContact OD2-NH2 3.78Å; D164-R168 PolarHBondContact OD2-NH2 2.96Å; E165-R168 WeakPolarHBondContact O-CB 3.31Å; E165-R168 PolarHBondContact O-N 3.04Å; L166-R168 VanDerWaalsContact C-N 3.32Å; L166-R168 PolarHBondContact O-N 3.39Å; R168-T171 VanDerWaalsContact CA-OG1 3.28Å; R168-T171 WeakPolarHBondContact CA-OG1 3.45Å; R168-T171 PolarHBondContact O-N 2.83Å; R168-T171 PolarHBondContact O-OG1 3.35Å; R168-T171 VanDerWaalsContact O-OG1 3.12Å; R168-R172 WeakPolarHBondContact O-CB 3.35Å; R168-R172 WeakPolarHBondContact O-CG 3.14Å; R168-R172 PolarHBondContact O-N 2.98Å
169	S	49.6	Very low	54.9	Low	63 Å²	63	114.2 Å²	114.2	44%	0.441	55%	0.554	S	S	.	*	H	α-helix	trans	-66	-42.3	176.7	74.7	0	0	0	0	110.8	E165 L166 T171 R172 A173	E165-S169 PolarHBondContact O-N 3.44Å; L166-S169 PolarHBondContact O-N 3.43Å; L166-S169 PolarHBondContact O-OG 3.02Å; S169-T171 PolarHBondContact O-N 3.35Å; S169-R172 WeakPolarHBondContact O-CB 3.21Å; S169-R172 PolarHBondContact O-N 3.4Å; S169-A173 WeakPolarHBondContact O-CB 3.4Å; S169-A173 PolarHBondContact O-N 3.48Å
170	K	49.5	Very low	53.6	Low	139 Å²	139	113.5 Å²	113.5	60%	0.604	56%	0.558	S	S	*	*	H	α-helix	trans	-62.6	-42.6	173.9	-171.4	174.4	-176.9	173.9	0	112.8	L166 A173 N174	L166-K170 WeakPolarHBondContact O-CB 3.49Å; L166-K170 PolarHBondContact O-N 3.42Å; K170-A173 PolarHBondContact O-N 3.46Å; K170-N174 WeakPolarHBondContact O-CB 3.4Å; K170-N174 PolarHBondContact O-N 3.03Å
171	T	53.6	Low	52.2	Low	70 Å²	70	117.6 Å²	117.6	43%	0.429	57%	0.569	S	S	.	*	H	α-helix	trans	-68.2	-34.2	175.5	32.6	0	0	0	0	112.4	L167 R168 S169 K175	L167-T171 PolarHBondContact O-N 3.38Å; L167-T171 PolarHBondContact O-OG1 3.09Å; R168-T171 VanDerWaalsContact CA-OG1 3.28Å; R168-T171 WeakPolarHBondContact CA-OG1 3.45Å; R168-T171 PolarHBondContact O-N 2.83Å; R168-T171 PolarHBondContact O-OG1 3.35Å; R168-T171 VanDerWaalsContact O-OG1 3.12Å; S169-T171 PolarHBondContact O-N 3.35Å; T171-K175 WeakPolarHBondContact O-CB 3.43Å; T171-K175 VanDerWaalsContact O-CG 3.29Å; T171-K175 WeakPolarHBondContact O-CG 3.46Å; T171-K175 PolarHBondContact O-N 2.93Å
172	R	52.1	Low	50.9	Low	171 Å²	171	114 Å²	114	65%	0.645	56%	0.561	S	S	*	*	H	α-helix	trans	-62.8	-48.6	169.9	-79.4	-178.6	-177.4	167.5	6.6	111.6	R168 S169 N174 K175 V176	R168-R172 WeakPolarHBondContact O-CB 3.35Å; R168-R172 WeakPolarHBondContact O-CG 3.14Å; R168-R172 PolarHBondContact O-N 2.98Å; S169-R172 WeakPolarHBondContact O-CB 3.21Å; S169-R172 PolarHBondContact O-N 3.4Å; R172-N174 PolarHBondContact O-N 3.4Å; R172-K175 PolarHBondContact O-N 3.5Å; R172-V176 WeakPolarHBondContact O-CG2 3.4Å; R172-V176 PolarHBondContact O-N 3.22Å
173	A	44.8	Very low	49.6	Very low	57 Å²	57	114.2 Å²	114.2	47%	0.471	56%	0.56	S	S	.	*	H	α-helix	trans	-59.1	-46.7	178	0	0	0	0	0	111.4	S169 K170 K175 V176 L177	S169-A173 WeakPolarHBondContact O-CB 3.4Å; S169-A173 PolarHBondContact O-N 3.48Å; K170-A173 PolarHBondContact O-N 3.46Å; A173-K175 VanDerWaalsContact C-N 3.34Å; A173-K175 PolarHBondContact O-N 2.97Å; A173-V176 PolarHBondContact O-N 2.88Å; A173-L177 WeakPolarHBondContact O-CB 3.3Å; A173-L177 PolarHBondContact O-N 2.89Å
174	N	46.4	Very low	48.5	Very low	89 Å²	89	112.5 Å²	112.5	48%	0.476	56%	0.561	S	S	.	*	H	α-helix	trans	-62.5	-38.6	176.3	-75.2	-14.2	0	0	0	112.6	K170 R172 L177 F178	K170-N174 WeakPolarHBondContact O-CB 3.4Å; K170-N174 PolarHBondContact O-N 3.03Å; R172-N174 PolarHBondContact O-N 3.4Å; N174-L177 WeakPolarHBondContact O-CB 3.3Å; N174-L177 PolarHBondContact O-N 3.22Å; N174-F178 WeakPolarHBondContact O-CB 3.47Å; N174-F178 PolarHBondContact O-N 2.79Å
175	K	46	Very low	47.3	Very low	134 Å²	134	112.4 Å²	112.4	58%	0.583	56%	0.563	S	S	*	*	H	α-helix	trans	-65.2	-42.8	174.7	-79.7	178.8	179.1	-176.7	0	112	T171 R172 A173 L177 F178 F179	T171-K175 WeakPolarHBondContact O-CB 3.43Å; T171-K175 VanDerWaalsContact O-CG 3.29Å; T171-K175 WeakPolarHBondContact O-CG 3.46Å; T171-K175 PolarHBondContact O-N 2.93Å; R172-K175 PolarHBondContact O-N 3.5Å; A173-K175 VanDerWaalsContact C-N 3.34Å; A173-K175 PolarHBondContact O-N 2.97Å; K175-L177 VanDerWaalsContact C-N 3.31Å; K175-F178 PolarHBondContact O-N 3.45Å; K175-F179 WeakPolarHBondContact O-CB 3.47Å; K175-F179 WeakPolarHBondContact O-CD2 3.32Å; K175-F179 PolarHBondContact O-N 3.22Å
176	V	49.5	Very low	46.3	Very low	87 Å²	87	110.4 Å²	110.4	53%	0.527	55%	0.554	S	S	.	*	H	α-helix	trans	-61	-44.1	174.3	172.3	0	0	0	0	110	R172 A173 F178 F179 L180	R172-V176 WeakPolarHBondContact O-CG2 3.4Å; R172-V176 PolarHBondContact O-N 3.22Å; A173-V176 PolarHBondContact O-N 2.88Å; V176-F178 VanDerWaalsContact C-N 3.34Å; V176-F178 PolarHBondContact O-N 3.18Å; V176-F179 PolarHBondContact O-N 3.1Å; V176-L180 HydrophobicContact CG1-CD1 3.73Å; V176-L180 WeakPolarHBondContact O-CB 3.42Å; V176-L180 PolarHBondContact O-N 3.21Å
177	L	44.5	Very low	45.5	Very low	119 Å²	119	111.8 Å²	111.8	62%	0.623	56%	0.555	S	S	*	*	H	α-helix	trans	-61.6	-41.7	176.9	-147.7	101.9	0	0	0	111.9	A173 N174 K175 L180 K181	A173-L177 WeakPolarHBondContact O-CB 3.3Å; A173-L177 PolarHBondContact O-N 2.89Å; N174-L177 WeakPolarHBondContact O-CB 3.3Å; N174-L177 PolarHBondContact O-N 3.22Å; K175-L177 VanDerWaalsContact C-N 3.31Å; L177-L180 PolarHBondContact O-N 3.02Å; L177-K181 WeakPolarHBondContact O-CB 3.3Å; L177-K181 PolarHBondContact O-N 3.26Å
178	F	47.4	Very low	44.4	Very low	159 Å²	159	110.8 Å²	110.8	70%	0.697	55%	0.549	S	S	*	.	H	α-helix	trans	-68.2	-40.9	177.6	-138.4	-81.3	0	0	0	111.7	N174 K175 V176 K181 A182	N174-F178 WeakPolarHBondContact O-CB 3.47Å; N174-F178 PolarHBondContact O-N 2.79Å; K175-F178 PolarHBondContact O-N 3.45Å; V176-F178 VanDerWaalsContact C-N 3.34Å; V176-F178 PolarHBondContact O-N 3.18Å; F178-K181 PolarHBondContact O-N 2.75Å; F178-A182 WeakPolarHBondContact O-CB 3.4Å; F178-A182 PolarHBondContact O-N 2.68Å
179	F	42.2	Very low	43.3	Very low	141 Å²	141	108.7 Å²	108.7	62%	0.618	55%	0.549	S	S	*	.	H	α-helix	trans	-62.3	-45.6	173.5	-101.6	-77.1	0	0	0	111.4	K175 V176 K181 A182 F183	K175-F179 WeakPolarHBondContact O-CB 3.47Å; K175-F179 WeakPolarHBondContact O-CD2 3.32Å; K175-F179 PolarHBondContact O-N 3.22Å; V176-F179 PolarHBondContact O-N 3.1Å; F179-K181 VanDerWaalsContact C-N 3.32Å; F179-K181 PolarHBondContact O-N 2.64Å; F179-A182 PolarHBondContact O-N 2.74Å; F179-F183 VanDerWaalsContact O-CB 3.3Å; F179-F183 WeakPolarHBondContact O-CB 3.25Å; F179-F183 PolarHBondContact O-N 2.92Å
180	L	42.3	Very low	42.5	Very low	108 Å²	108	113 Å²	113	57%	0.565	56%	0.559	S	S	*	*	H	α-helix	trans	-59.7	-43.9	174.4	-102.4	120.5	0	0	0	111.3	V176 L177 A182 F183 C184	V176-L180 HydrophobicContact CG1-CD1 3.73Å; V176-L180 WeakPolarHBondContact O-CB 3.42Å; V176-L180 PolarHBondContact O-N 3.21Å; L177-L180 PolarHBondContact O-N 3.02Å; L180-A182 PolarHBondContact O-N 3.17Å; L180-F183 PolarHBondContact O-N 3.35Å; L180-C184 WeakPolarHBondContact O-CB 3.39Å; L180-C184 PolarHBondContact O-N 2.83Å; L180-C184 PolarHBondContact O-SG 3.44Å
181	K	40.1	Very low	41.6	Very low	147 Å²	147	109.6 Å²	109.6	64%	0.639	55%	0.553	S	S	*	*	H	α-helix	trans	-60	-46.9	175.1	-121.7	-180	178.6	-178.6	0	112	L177 F178 F179 C184 V185	L177-K181 WeakPolarHBondContact O-CB 3.3Å; L177-K181 PolarHBondContact O-N 3.26Å; F178-K181 PolarHBondContact O-N 2.75Å; F179-K181 VanDerWaalsContact C-N 3.32Å; F179-K181 PolarHBondContact O-N 2.64Å; K181-C184 PolarHBondContact O-N 3.14Å; K181-V185 WeakPolarHBondContact O-CG2 3.36Å; K181-V185 PolarHBondContact O-N 3.36Å
182	A	44.7	Very low	40.4	Very low	49 Å²	49	112 Å²	112	41%	0.405	56%	0.562	S	S	.	*	H	α-helix	trans	-65.3	-39.1	178.9	0	0	0	0	0	112.1	F178 F179 L180 V185 Q186	F178-A182 WeakPolarHBondContact O-CB 3.4Å; F178-A182 PolarHBondContact O-N 2.68Å; F179-A182 PolarHBondContact O-N 2.74Å; L180-A182 PolarHBondContact O-N 3.17Å; A182-V185 PolarHBondContact O-N 3.38Å; A182-Q186 PolarHBondContact O-N 3.47Å
183	F	41.6	Very low	39.3	Very low	139 Å²	139	111.8 Å²	111.8	61%	0.61	57%	0.568	S	S	*	*	H	α-helix	trans	-66.4	-38.7	176.8	-145.3	-88.8	0	0	0	111.6	F179 L180 K187	F179-F183 VanDerWaalsContact O-CB 3.3Å; F179-F183 WeakPolarHBondContact O-CB 3.25Å; F179-F183 PolarHBondContact O-N 2.92Å; L180-F183 PolarHBondContact O-N 3.35Å; F183-K187 PolarHBondContact O-N 3.29Å
184	C	39.5	Very low	38.6	Very low	75 Å²	75	113.8 Å²	113.8	51%	0.507	58%	0.575	S	S	.	*	H	α-helix	trans	-63.8	-42.2	172.2	-73.4	0	0	0	0	111.9	L180 K181 I188	L180-C184 WeakPolarHBondContact O-CB 3.39Å; L180-C184 PolarHBondContact O-N 2.83Å; L180-C184 PolarHBondContact O-SG 3.44Å; K181-C184 PolarHBondContact O-N 3.14Å; C184-I188 WeakPolarHBondContact O-CD1 3.28Å; C184-I188 WeakPolarHBondContact O-CG1 3.34Å; C184-I188 PolarHBondContact O-N 3.23Å
185	V	40.2	Very low	37.6	Very low	81 Å²	81	115.4 Å²	115.4	49%	0.491	58%	0.583	S	S	.	*	H	α-helix	trans	-66.4	-43.6	178.3	174.7	0	0	0	0	111.5	K181 A182 K187 I188 D189	K181-V185 WeakPolarHBondContact O-CG2 3.36Å; K181-V185 PolarHBondContact O-N 3.36Å; A182-V185 PolarHBondContact O-N 3.38Å; V185-K187 VanDerWaalsContact C-N 3.33Å; V185-K187 PolarHBondContact O-N 3.31Å; V185-I188 PolarHBondContact O-N 2.98Å; V185-I188 VanDerWaalsContact O-N 3.09Å; V185-D189 PolarHBondContact O-N 3.34Å; V185-D189 VanDerWaalsContact O-N 3.14Å
186	Q	35.9	Very low	36.9	Very low	101 Å²	101	114 Å²	114	47%	0.472	59%	0.59	S	S	.	*	H	α-helix	trans	-64.5	-31.8	-179.9	-88.1	-169.8	-5	0	0	114.2	A182 K190	A182-Q186 PolarHBondContact O-N 3.47Å; Q186-K190 PolarHBondContact O-N 2.82Å
187	K	35.1	Very low	35.7	Very low	155 Å²	155	114.9 Å²	114.9	67%	0.674	60%	0.599	S	S	*	*	H	α-helix	trans	-72.8	-32	173.4	-93.3	-164.1	174.9	-175	0	112.4	F183 V185 S191	F183-K187 PolarHBondContact O-N 3.29Å; V185-K187 VanDerWaalsContact C-N 3.33Å; V185-K187 PolarHBondContact O-N 3.31Å; K187-S191 WeakPolarHBondContact O-CB 3.35Å; K187-S191 PolarHBondContact O-N 2.88Å; K187-S191 VanDerWaalsContact O-N 3.09Å; K187-S191 PolarHBondContact O-OG 2.82Å
188	I	33.9	Very low	34.8	Very low	99 Å²	99	116.4 Å²	116.4	51%	0.508	61%	0.607	S	S	.	*	H	α-helix	trans	-65	-45.1	176.1	-66.3	164.9	0	0	0	109.6	C184 V185 S191 I192	C184-I188 WeakPolarHBondContact O-CD1 3.28Å; C184-I188 WeakPolarHBondContact O-CG1 3.34Å; C184-I188 PolarHBondContact O-N 3.23Å; V185-I188 PolarHBondContact O-N 2.98Å; V185-I188 VanDerWaalsContact O-N 3.09Å; I188-S191 PolarHBondContact O-N 3.38Å; I188-S191 PolarHBondContact O-OG 2.94Å; I188-I192 WeakPolarHBondContact O-CG1 3.48Å
189	D	31.1	Very low	33.8	Very low	100 Å²	100	118.9 Å²	118.9	54%	0.535	61%	0.614	S	S	.	*	H	α-helix	trans	-70.5	-38.7	-178.9	-71.8	-22.8	0	0	0	113.2	V185 S191 I192	V185-D189 PolarHBondContact O-N 3.34Å; V185-D189 VanDerWaalsContact O-N 3.14Å; D189-S191 VanDerWaalsContact C-N 3.34Å; D189-S191 PolarHBondContact O-N 2.83Å; D189-I192 PolarHBondContact O-N 3.45Å
190	K	32	Very low	32.9	Very low	153 Å²	153	120.1 Å²	120.1	67%	0.665	63%	0.626	S	S	*	*	H	α-helix	trans	-72.9	-25.3	178	-73.2	-175.2	178.7	177.1	0	114	Q186 I192	Q186-K190 PolarHBondContact O-N 2.82Å; K190-I192 PolarHBondContact O-N 2.91Å
191	S	30.1	Very low	32	Very low	67 Å²	67	121.6 Å²	121.6	47%	0.469	64%	0.64	S	S	.	*	H	α-helix	trans	-70.9	-14.6	174.7	67.1	0	0	0	0	113.5	K187 I188 D189	K187-S191 WeakPolarHBondContact O-CB 3.35Å; K187-S191 PolarHBondContact O-N 2.88Å; K187-S191 VanDerWaalsContact O-N 3.09Å; K187-S191 PolarHBondContact O-OG 2.82Å; I188-S191 PolarHBondContact O-N 3.38Å; I188-S191 PolarHBondContact O-OG 2.94Å; D189-S191 VanDerWaalsContact C-N 3.34Å; D189-S191 PolarHBondContact O-N 2.83Å
192	I	30	Very low	31.3	Very low	120 Å²	120	120 Å²	120	62%	0.615	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-22.7	179.8	-64.3	168	0	0	0	111.9	I188 D189 K190	I188-I192 WeakPolarHBondContact O-CG1 3.48Å; D189-I192 PolarHBondContact O-N 3.45Å; K190-I192 PolarHBondContact O-N 2.91Å
193	E	29.1	Very low	30.2	Very low	167 Å²	167	125.6 Å²	125.6	78%	0.78	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-15.7	-172.2	-70	-173.6	167.2	0	0	115.8
194	T	28.1	Very low	29.3	Very low	99 Å²	99	124.8 Å²	124.8	61%	0.607	68%	0.676	S	S	*	*	S	Bend	trans	-101.4	-5.8	-174.7	57.4	0	0	0	0	116.1	S196	T194-S196 VanDerWaalsContact C-N 3.34Å; T194-S196 PolarHBondContact O-N 3Å
195	D	27.3	Very low	28.5	Very low	123 Å²	123	127.4 Å²	127.4	66%	0.658	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	9.3	-172.4	-93.7	4	0	0	0	115.3
196	S	29.8	Very low	27.7	Very low	105 Å²	105	135.3 Å²	135.3	73%	0.734	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-5.4	175.6	60.2	0	0	0	0	115	T194	T194-S196 VanDerWaalsContact C-N 3.34Å; T194-S196 PolarHBondContact O-N 3Å
197	C	25.7	Very low	26.9	Very low	105 Å²	105	141.9 Å²	141.9	71%	0.709	73%	0.731	S	S	*	*	S	Bend	trans	-120.3	7.1	-166.9	-62.9	0	0	0	0	116.8
198	L	24.2	Very low	26.4	Very low	151 Å²	151	140.3 Å²	140.3	79%	0.791	73%	0.734	S	S	*	*			trans	-129.5	59.6	-176.7	-72.9	166.5	0	0	0	113.3
199	Y	26.7	Very low	25.9	Very low	212 Å²	212	142.4 Å²	142.4	83%	0.831	75%	0.746	S	S	*	*			trans	-129.8	90.2	160.8	-80	-85.1	0	0	0	109.2
200	N	23.8	Very low	25.5	Very low	166 Å²	166	145.7 Å²	145.7	89%	0.888	76%	0.763	S	S	*	*			trans	-174.8	82.2	154.3	-97	-24.4	0	0	0	110.8
201	V	24.1	Very low	25	Very low	140 Å²	140	144.4 Å²	144.4	85%	0.848	77%	0.772	S	S	*	*			trans	-137.7	115.6	155.4	-173.1	0	0	0	0	108.7
202	P	25.4	Very low	24.9	Very low	114 Å²	114	146.7 Å²	146.7	74%	0.74	79%	0.785	S	S	*	*			trans	-83.7	130.7	178.6	28.2	-23.8	0	0	0	111.5	P204	P202-P204 WeakPolarHBondContact O-CD 3.37Å
203	N	20.9	Very low	24.6	Very low	165 Å²	165	147.3 Å²	147.3	88%	0.882	80%	0.797	S	S	*	*			trans	-62.2	134.7	169.8	-77.2	-35.1	0	0	0	111.4
204	P	23.4	Very low	24.2	Very low	122 Å²	122	142.4 Å²	142.4	79%	0.792	79%	0.791	S	S	*	*				-144.2	149.8	126.1	31.9	-13.5	0	0	0	115.9	P202	P202-P204 WeakPolarHBondContact O-CD 3.37Å
205	V	21.2	Very low	24.1	Very low	131 Å²	131	147.5 Å²	147.5	79%	0.794	81%	0.808	S	S	*	*			trans	-53.4	134.3	177.1	177.8	0	0	0	0	114.3
206	R	24.5	Very low	23.7	Very low	246 Å²	246	146 Å²	146	93%	0.928	81%	0.812	S	S	*	*			trans	-138	116.2	152.5	-81.8	-170.5	174.4	172.9	-1.2	111.4
207	R	18.6	Very low	23.3	Very low	239 Å²	239	146.6 Å²	146.6	90%	0.902	81%	0.811	S	S	*	*			trans	-81.8	132.3	160.2	-84.1	176.3	169.3	172.4	-3.9	108.2
208	V	24.4	Very low	23	Very low	123 Å²	123	146.3 Å²	146.3	75%	0.745	82%	0.817	S	S	*	*			trans	-147.3	113	159.2	-178.1	0	0	0	0	109.8
209	D	24.2	Very low	22.8	Very low	142 Å²	142	149 Å²	149	76%	0.759	82%	0.816	S	S	*	*			trans	40.1	113.5	141.8	-52.2	-31.3	0	0	0	123.8
210	L	21.5	Very low	22.6	Very low	170 Å²	170	150 Å²	150	89%	0.89	82%	0.82	S	S	*	*			trans	-5.1	122.9	137.2	-70	134.7	0	0	0	117.9
211	C	22.9	Very low	22.5	Very low	126 Å²	126	150 Å²	150	85%	0.851	81%	0.812	S	S	*	*			trans	-117.2	126.3	153.8	-137.3	0	0	0	0	108.2
212	P	26.7	Very low	22.6	Very low	114 Å²	114	150.9 Å²	150.9	74%	0.74	81%	0.812	S	S	*	*			trans	-84.7	150.4	-169.8	31.6	-32.4	0	0	0	113.5
213	P	23.5	Very low	22.5	Very low	134 Å²	134	150.3 Å²	150.3	87%	0.87	81%	0.811	S	S	*	*			trans	-86.4	129.3	179.7	34	-30.3	0	0	0	111.2
214	G	21.9	Very low	22.7	Very low	63 Å²	63	153.9 Å²	153.9	65%	0.649	81%	0.812	S	S	*	*			trans	-164.4	110.2	167.6	0	0	0	0	0	108.8
215	H	24.5	Very low	22.6	Very low	206 Å²	206	155.8 Å²	155.8	95%	0.954	82%	0.816	S	S	*	*			trans	-160.1	117.5	139.4	-97.5	72.6	0	0	0	106.2
216	A	20	Very low	22.7	Very low	91 Å²	91	155.9 Å²	155.9	75%	0.752	82%	0.816	S	S	*	*			trans	-96.9	140.4	-173.1	0	0	0	0	0	111.2
217	V	20.7	Very low	22.5	Very low	119 Å²	119	151.1 Å²	151.1	72%	0.721	81%	0.809	S	S	*	*			trans	48	113.8	132.6	-173.5	0	0	0	0	118.5	W219	V217-W219 VanDerWaalsContact CG1-CD1 3.42Å
218	A	20.2	Very low	22.6	Very low	99 Å²	99	149.4 Å²	149.4	82%	0.818	81%	0.809	S	S	*	*			trans	-124.4	114.3	154.9	0	0	0	0	0	109.8
219	W	20.2	Very low	22.5	Very low	206 Å²	206	152.5 Å²	152.5	78%	0.78	82%	0.815	S	S	*	*			trans	-83.4	138.6	167.1	-79.9	71.3	0	0	0	109.2	V217	V217-W219 VanDerWaalsContact CG1-CD1 3.42Å
220	Y	22.3	Very low	22.4	Very low	234 Å²	234	151.8 Å²	151.8	92%	0.918	82%	0.82	S	S	*	*			trans	-122.2	119.5	149	-89.7	-83.9	0	0	0	108.8
221	K	21.4	Very low	22.5	Very low	166 Å²	166	148.8 Å²	148.8	72%	0.722	81%	0.813	S	S	*	*			trans	-122.4	123.5	173.9	-165.4	-174.3	-169.8	-175.8	0	103.1
222	D	27	Very low	22.6	Very low	159 Å²	159	148.5 Å²	148.5	85%	0.85	81%	0.812	S	S	*	*			trans	-167.9	131.4	146.1	-98.4	-18.4	0	0	0	112.2
223	S	22.5	Very low	22.5	Very low	102 Å²	102	149.5 Å²	149.5	71%	0.713	82%	0.816	S	S	*	*			trans	-55.1	133.8	174.5	45.7	0	0	0	0	114.2
224	R	24.8	Very low	22.5	Very low	239 Å²	239	146.3 Å²	146.3	90%	0.902	81%	0.808	S	S	*	*			trans	-128.9	95.4	143.6	-72.4	-170.4	-177	-177.6	1.4	109
225	N	20.9	Very low	22.5	Very low	162 Å²	162	150 Å²	150	87%	0.866	82%	0.818	S	S	*	*			trans	-70.8	121.3	149.7	-88.3	-10.2	0	0	0	106.8
226	V	23.9	Very low	22.5	Very low	134 Å²	134	147.7 Å²	147.7	81%	0.812	81%	0.809	S	S	*	*			trans	-137.3	136.7	152	-179.8	0	0	0	0	107.7
227	D	20.5	Very low	22.5	Very low	145 Å²	145	151.8 Å²	151.8	78%	0.775	81%	0.813	S	S	*	*			trans	-62.8	157.1	-159.4	-65.2	-65.7	0	0	0	117.6
228	F	19.9	Very low	22.8	Very low	203 Å²	203	152.7 Å²	152.7	89%	0.89	81%	0.813	S	S	*	*			trans	-68.2	120.7	164.2	-69.3	-95.8	0	0	0	110.3
229	E	22.7	Very low	22.8	Very low	188 Å²	188	154 Å²	154	88%	0.879	81%	0.811	S	S	*	*			trans	-115.5	106.8	155	-76.6	-169.4	167.7	0	0	109.2	S231	E229-S231 PolarHBondContact O-N 3.18Å
230	C	23	Very low	23	Very low	128 Å²	128	153.1 Å²	153.1	87%	0.865	82%	0.815	S	S	*	*			trans	-66.9	113.3	164.4	-68.9	0	0	0	0	108.4
231	S	24	Very low	22.9	Very low	106 Å²	106	148.3 Å²	148.3	74%	0.741	81%	0.811	S	S	*	*			trans	-116.1	96.8	158.5	54.7	0	0	0	0	109	E229 V233	E229-S231 PolarHBondContact O-N 3.18Å; S231-V233 PolarHBondContact O-N 3.09Å
232	S	23.8	Very low	23	Very low	120 Å²	120	144.6 Å²	144.6	84%	0.839	81%	0.811	S	S	*	*			trans	-60.4	111.6	161.6	48.9	0	0	0	0	109.4
233	V	25.5	Very low	22.8	Very low	136 Å²	136	142.5 Å²	142.5	82%	0.824	81%	0.809	S	S	*	*			trans	-127.8	108.2	165.1	-179.2	0	0	0	0	108.8	S231	S231-V233 PolarHBondContact O-N 3.09Å
234	G	22.8	Very low	22.9	Very low	67 Å²	67	144.8 Å²	144.8	69%	0.691	81%	0.812	S	S	*	*			trans	84.7	74.6	139.9	0	0	0	0	0	117.6	M236	G234-M236 PolarHBondContact O-N 3.37Å; G234-M236 VanDerWaalsContact O-N 3.12Å
235	T	22.1	Very low	22.8	Very low	140 Å²	140	136.5 Å²	136.5	86%	0.859	80%	0.8	S	S	*	*			trans	-64.7	97.3	147.2	47.7	0	0	0	0	108.7	E237	T235-E237 PolarHBondContact O-N 3.22Å
236	M	24.8	Very low	22.8	Very low	157 Å²	157	140.8 Å²	140.8	77%	0.773	81%	0.805	S	S	*	*			trans	-88	93.1	162.9	-94.7	-169.7	65.6	0	0	108.6	G234 L238	G234-M236 PolarHBondContact O-N 3.37Å; G234-M236 VanDerWaalsContact O-N 3.12Å; M236-L238 HydrophobicContact CE-CD1 3.59Å; M236-L238 HydrophobicContact CE-CG 4.18Å; M236-L238 PolarHBondContact O-N 3.07Å
237	E	20.6	Very low	22.8	Very low	177 Å²	177	143.6 Å²	143.6	83%	0.827	81%	0.809	S	S	*	*			trans	-67.6	108	159.1	-70.6	176.7	155.5	0	0	108.3	T235	T235-E237 PolarHBondContact O-N 3.22Å
238	L	25.4	Very low	22.8	Very low	139 Å²	139	146 Å²	146	73%	0.728	81%	0.813	S	S	*	*			trans	-119.5	93.3	156.3	-82.2	171.6	0	0	0	107.9	M236 E240	M236-L238 HydrophobicContact CE-CD1 3.59Å; M236-L238 HydrophobicContact CE-CG 4.18Å; M236-L238 PolarHBondContact O-N 3.07Å; L238-E240 PolarHBondContact O-N 2.94Å
239	T	20.7	Very low	23	Very low	127 Å²	127	141.5 Å²	141.5	78%	0.779	81%	0.806	S	S	*	*			trans	-63.8	96.9	160.6	48.2	0	0	0	0	109.2
240	E	24.1	Very low	22.9	Very low	186 Å²	186	141.8 Å²	141.8	87%	0.869	81%	0.808	S	S	*	*			trans	-108.2	108.6	159.9	-92.5	-173.5	169.9	0	0	109.9	L238 A242	L238-E240 PolarHBondContact O-N 2.94Å; E240-A242 PolarHBondContact O-N 3.1Å
241	T	20.9	Very low	22.9	Very low	133 Å²	133	140.8 Å²	140.8	82%	0.816	80%	0.802	S	S	*	*			trans	-68.2	97.6	176.8	48.2	0	0	0	0	110.8
242	A	23.9	Very low	23	Very low	88 Å²	88	141.7 Å²	141.7	73%	0.727	81%	0.805	S	S	*	*			trans	-102.7	76.1	162.7	0	0	0	0	0	109.4	E240 I244	E240-A242 PolarHBondContact O-N 3.1Å; A242-I244 PolarHBondContact O-N 2.73Å; A242-I244 VanDerWaalsContact O-N 3.11Å
243	S	23.1	Very low	23	Very low	115 Å²	115	143.2 Å²	143.2	80%	0.804	81%	0.809	S	S	*	*			trans	-74.3	87.4	166.8	54.2	0	0	0	0	109.2	G245	S243-G245 PolarHBondContact O-N 3.39Å
244	I	24.2	Very low	23.1	Very low	151 Å²	151	139.9 Å²	139.9	77%	0.774	80%	0.802	S	S	*	*			trans	-86.6	108.1	167.7	-62.1	176	0	0	0	106.9	A242	A242-I244 PolarHBondContact O-N 2.73Å; A242-I244 VanDerWaalsContact O-N 3.11Å
245	G	22.8	Very low	23.4	Very low	65 Å²	65	141.5 Å²	141.5	67%	0.67	81%	0.809	S	S	*	*			trans	-63.8	146.4	-177	0	0	0	0	0	113	S243 E247	S243-G245 PolarHBondContact O-N 3.39Å; G245-E247 PolarHBondContact O-N 3.1Å
246	W	21.4	Very low	23.8	Very low	252 Å²	252	141.8 Å²	141.8	96%	0.955	81%	0.806	S	S	*	*			trans	-81.3	101.4	177.3	-65.3	65	0	0	0	109
247	E	23.2	Very low	24	Very low	192 Å²	192	137.4 Å²	137.4	90%	0.897	80%	0.801	S	S	*	*			trans	-98.1	106.6	164	-84.1	-173.4	163.9	0	0	109.8	G245 S249	G245-E247 PolarHBondContact O-N 3.1Å; E247-S249 PolarHBondContact O-N 3.25Å
248	K	21.1	Very low	24.6	Very low	197 Å²	197	138.9 Å²	138.9	86%	0.857	80%	0.804	S	S	*	*			trans	-65	108.6	164.9	-70.7	176	173.6	-178.4	0	108.6
249	S	23.3	Very low	24.9	Very low	108 Å²	108	137.3 Å²	137.3	76%	0.755	80%	0.8	S	S	*	*			trans	-111.3	98.5	157.7	58.2	0	0	0	0	108.8	E247 S251	E247-S249 PolarHBondContact O-N 3.25Å; S249-S251 PolarHBondContact O-N 3.04Å
250	E	20	Very low	25.8	Very low	194 Å²	194	133.9 Å²	133.9	91%	0.907	78%	0.782	S	S	*	*			trans	-70.9	115.6	162.5	-69.4	176.3	174	0	0	107.5
251	S	23.6	Very low	26.4	Very low	106 Å²	106	129.9 Å²	129.9	74%	0.741	77%	0.77	S	S	*	*			trans	-129.9	137.9	162.3	66.5	0	0	0	0	109.6	S249	S249-S251 PolarHBondContact O-N 3.04Å
252	P	26.1	Very low	27.1	Very low	125 Å²	125	129.7 Å²	129.7	81%	0.812	76%	0.763	S	S	*	*			trans	-90.6	149.6	-156.8	35.7	-33.7	0	0	0	113.7	G254	P252-G254 PolarHBondContact O-N 3.23Å; P252-G254 VanDerWaalsContact O-N 3.13Å
253	V	23.6	Very low	27.8	Very low	152 Å²	152	130.5 Å²	130.5	92%	0.921	76%	0.755	S	S	*	*			trans	-15.6	96	161.3	-171.3	0	0	0	0	115
254	G	26.8	Very low	28.5	Very low	66 Å²	66	131.5 Å²	131.5	68%	0.68	75%	0.747	S	S	*	*			trans	-103.4	133.1	161.4	0	0	0	0	0	110.1	P252 D256	P252-G254 PolarHBondContact O-N 3.23Å; P252-G254 VanDerWaalsContact O-N 3.13Å; G254-D256 VanDerWaalsContact C-N 3.3Å; G254-D256 PolarHBondContact O-N 2.82Å
255	A	29.8	Very low	29.2	Very low	102 Å²	102	133.3 Å²	133.3	84%	0.843	74%	0.744	S	S	*	*	S	Bend	trans	-76.9	21.6	-158.4	0	0	0	0	0	117.8
256	D	31.6	Very low	30	Very low	146 Å²	146	134.8 Å²	134.8	78%	0.781	74%	0.736	S	S	*	*			trans	-121.7	67.3	-176.4	-69.3	-38.4	0	0	0	112.4	G254	G254-D256 VanDerWaalsContact C-N 3.3Å; G254-D256 PolarHBondContact O-N 2.82Å
257	G	28.1	Very low	31.3	Very low	65 Å²	65	126.4 Å²	126.4	67%	0.67	72%	0.716	S	S	*	*			trans	-93.3	20.4	-170.5	0	0	0	0	0	117.8
258	K	33.3	Very low	32.5	Very low	207 Å²	207	118.9 Å²	118.9	90%	0.9	69%	0.69	S	S	*	*	S	Bend	trans	-126.9	3.3	-172.8	-73.4	-170.7	178.7	-179.6	0	118.1
259	T	31.2	Very low	33.8	Very low	106 Å²	106	115.2 Å²	115.2	65%	0.65	68%	0.677	S	S	*	*	S	Bend	trans	-123.9	-1.2	175.5	51.3	0	0	0	0	114.6
260	S	39.3	Very low	35.1	Very low	56 Å²	56	115.1 Å²	115.1	39%	0.392	67%	0.668	S	S	.	*	H	α-helix	trans	-77.1	-33	-177.9	63.3	0	0	0	0	114	L262 N263 E264	S260-L262 PolarHBondContact O-N 2.78Å; S260-N263 PolarHBondContact O-N 2.84Å; S260-E264 WeakPolarHBondContact O-CB 3.42Å; S260-E264 WeakPolarHBondContact O-CG 3.4Å; S260-E264 PolarHBondContact O-N 3.3Å
261	V	38.1	Very low	36.7	Very low	101 Å²	101	111.4 Å²	111.4	61%	0.612	65%	0.651	S	S	*	*	H	α-helix	trans	-69.4	-35.3	-171.6	-175.1	0	0	0	0	112.9	R265	V261-R265 PolarHBondContact O-N 2.89Å; V261-R265 VanDerWaalsContact O-N 3.1Å
262	L	35.1	Very low	38	Very low	130 Å²	130	110.3 Å²	110.3	68%	0.681	64%	0.639	S	S	*	*	H	α-helix	trans	-72.6	-39.3	175.2	-92.9	160.9	0	0	0	111.7	S260 R265 L266	S260-L262 PolarHBondContact O-N 2.78Å; L262-R265 PolarHBondContact O-N 3.3Å; L262-L266 WeakPolarHBondContact O-CB 3.45Å; L262-L266 PolarHBondContact O-N 3.11Å
263	N	37.5	Very low	38.9	Very low	104 Å²	104	109.4 Å²	109.4	56%	0.556	63%	0.625	S	S	*	*	H	α-helix	trans	-69.9	-34.5	176.6	-78.8	-12.5	0	0	0	112.2	S260 L266 S267	S260-N263 PolarHBondContact O-N 2.84Å; N263-L266 PolarHBondContact O-N 3Å; N263-S267 WeakPolarHBondContact O-CB 3.31Å; N263-S267 PolarHBondContact O-N 2.88Å
264	E	39.1	Very low	40.3	Very low	137 Å²	137	108.1 Å²	108.1	64%	0.64	61%	0.609	S	S	*	*	H	α-helix	trans	-66.3	-38.7	171.4	-78.7	-174.8	-176.2	0	0	111.8	S260 G268	S260-E264 WeakPolarHBondContact O-CB 3.42Å; S260-E264 WeakPolarHBondContact O-CG 3.4Å; S260-E264 PolarHBondContact O-N 3.3Å; E264-G268 PolarHBondContact O-N 3.38Å
265	R	38.9	Very low	41.6	Very low	189 Å²	189	107.5 Å²	107.5	71%	0.713	59%	0.593	S	S	*	*	H	α-helix	trans	-65.7	-43.7	173.4	-104.9	-178.1	173.2	166.2	-0.9	112.3	V261 L262 G268 M269	V261-R265 PolarHBondContact O-N 2.89Å; V261-R265 VanDerWaalsContact O-N 3.1Å; L262-R265 PolarHBondContact O-N 3.3Å; R265-G268 PolarHBondContact O-N 3.15Å; R265-M269 WeakPolarHBondContact O-CB 3.3Å; R265-M269 VanDerWaalsContact O-CG 3.25Å; R265-M269 WeakPolarHBondContact O-CG 3.12Å; R265-M269 PolarHBondContact O-N 3.43Å
266	L	38.7	Very low	42.2	Very low	95 Å²	95	107.4 Å²	107.4	50%	0.497	58%	0.577	S	S	.	*	H	α-helix	trans	-67.6	-41	177.3	-80.9	163.2	0	0	0	112	L262 N263 M269 L270	L262-L266 WeakPolarHBondContact O-CB 3.45Å; L262-L266 PolarHBondContact O-N 3.11Å; N263-L266 PolarHBondContact O-N 3Å; L266-M269 PolarHBondContact O-N 3.35Å; L266-L270 WeakPolarHBondContact O-CB 3.15Å; L266-L270 WeakPolarHBondContact O-CG 3.43Å; L266-L270 PolarHBondContact O-N 3.38Å
267	S	49.6	Very low	43	Very low	77 Å²	77	106.7 Å²	106.7	54%	0.538	57%	0.569	S	S	.	*	H	α-helix	trans	-63.3	-44.6	174.2	174.2	0	0	0	0	111.2	N263 M269 L270 H271	N263-S267 WeakPolarHBondContact O-CB 3.31Å; N263-S267 PolarHBondContact O-N 2.88Å; S267-M269 PolarHBondContact O-N 3.02Å; S267-L270 PolarHBondContact O-N 3.12Å; S267-H271 WeakPolarHBondContact O-CB 3.31Å; S267-H271 PolarHBondContact O-N 3.12Å
268	G	48.6	Very low	43.9	Very low	34 Å²	34	106.5 Å²	106.5	35%	0.351	56%	0.558	S	S	.	*	H	α-helix	trans	-61.6	-42.7	173.9	0	0	0	0	0	112.3	E264 R265 H271 V272	E264-G268 PolarHBondContact O-N 3.38Å; R265-G268 PolarHBondContact O-N 3.15Å; G268-H271 PolarHBondContact O-N 3.39Å; G268-V272 WeakPolarHBondContact O-CB 3.46Å; G268-V272 WeakPolarHBondContact O-CG2 3.36Å; G268-V272 PolarHBondContact O-N 3.36Å
269	M	46.7	Very low	44.3	Very low	119 Å²	119	105.3 Å²	105.3	59%	0.586	55%	0.547	S	S	*	.	H	α-helix	trans	-66.1	-41.4	176.1	-75.7	178	68.1	0	0	112.5	R265 L266 S267 V272 M273	R265-M269 WeakPolarHBondContact O-CB 3.3Å; R265-M269 VanDerWaalsContact O-CG 3.25Å; R265-M269 WeakPolarHBondContact O-CG 3.12Å; R265-M269 PolarHBondContact O-N 3.43Å; L266-M269 PolarHBondContact O-N 3.35Å; S267-M269 PolarHBondContact O-N 3.02Å; M269-V272 PolarHBondContact O-N 2.83Å; M269-M273 WeakPolarHBondContact O-CG 3.4Å; M269-M273 PolarHBondContact O-N 3.26Å
270	L	50.7	Low	44.4	Very low	107 Å²	107	104.7 Å²	104.7	56%	0.56	54%	0.54	S	S	*	.	H	α-helix	trans	-64.8	-41.5	174.9	-84.3	162.9	0	0	0	111.5	L266 S267 V272 M273 E274	L266-L270 WeakPolarHBondContact O-CB 3.15Å; L266-L270 WeakPolarHBondContact O-CG 3.43Å; L266-L270 PolarHBondContact O-N 3.38Å; S267-L270 PolarHBondContact O-N 3.12Å; L270-V272 VanDerWaalsContact C-N 3.35Å; L270-V272 PolarHBondContact O-N 2.62Å; L270-M273 CarbonylContact O-C 3.59Å; L270-M273 WeakPolarHBondContact O-CB 3.39Å; L270-M273 PolarHBondContact O-N 3.08Å; L270-M273 VanDerWaalsContact O-N 3.13Å; L270-E274 PolarHBondContact O-N 3.42Å
271	H	54.4	Low	44.5	Very low	116 Å²	116	105.1 Å²	105.1	54%	0.537	55%	0.547	S	S	.	.	H	α-helix	trans	-66	-37.8	176.2	-166.4	65.8	0	0	0	112	S267 G268 M273 E274 T275	S267-H271 WeakPolarHBondContact O-CB 3.31Å; S267-H271 PolarHBondContact O-N 3.12Å; G268-H271 PolarHBondContact O-N 3.39Å; H271-M273 VanDerWaalsContact C-N 3.32Å; H271-E274 PolarHBondContact O-N 3.28Å; H271-T275 WeakPolarHBondContact O-CB 3.35Å; H271-T275 PolarHBondContact O-N 3.26Å; H271-T275 PolarHBondContact O-OG1 3.26Å
272	V	50.5	Low	44.6	Very low	82 Å²	82	104.5 Å²	104.5	50%	0.497	54%	0.543	S	S	.	.	H	α-helix	trans	-63.4	-39.2	171.1	170.8	0	0	0	0	110.8	G268 M269 L270 T275 L276	G268-V272 WeakPolarHBondContact O-CB 3.46Å; G268-V272 WeakPolarHBondContact O-CG2 3.36Å; G268-V272 PolarHBondContact O-N 3.36Å; M269-V272 PolarHBondContact O-N 2.83Å; L270-V272 VanDerWaalsContact C-N 3.35Å; L270-V272 PolarHBondContact O-N 2.62Å; V272-T275 VanDerWaalsContact CA-OG1 3.28Å; V272-T275 WeakPolarHBondContact CA-OG1 3.47Å; V272-T275 PolarHBondContact O-OG1 2.71Å; V272-T275 VanDerWaalsContact O-OG1 3.08Å; V272-L276 HydrophobicContact CG1-CD1 3.95Å; V272-L276 HydrophobicContact CG1-CG 4.44Å; V272-L276 WeakPolarHBondContact O-CB 3.29Å; V272-L276 WeakPolarHBondContact O-CG 3.4Å; V272-L276 PolarHBondContact O-N 3.14Å
273	M	45.1	Very low	44.5	Very low	107 Å²	107	105.9 Å²	105.9	53%	0.527	54%	0.544	S	S	.	.	H	α-helix	trans	-66.6	-44.5	175.3	-76.7	179.6	57.6	0	0	112.6	M269 L270 H271 L276 Q277	M269-M273 WeakPolarHBondContact O-CG 3.4Å; M269-M273 PolarHBondContact O-N 3.26Å; L270-M273 CarbonylContact O-C 3.59Å; L270-M273 WeakPolarHBondContact O-CB 3.39Å; L270-M273 PolarHBondContact O-N 3.08Å; L270-M273 VanDerWaalsContact O-N 3.13Å; H271-M273 VanDerWaalsContact C-N 3.32Å; M273-L276 PolarHBondContact O-N 3.41Å; M273-Q277 WeakPolarHBondContact O-CB 3.38Å; M273-Q277 PolarHBondContact O-N 3.17Å
274	E	54.2	Low	44.5	Very low	124 Å²	124	108 Å²	108	58%	0.579	56%	0.556	S	S	*	*	H	α-helix	trans	-64.8	-40.8	176.6	-80.8	-175.8	155.9	0	0	112	L270 H271 L276 Q277 S278	L270-E274 PolarHBondContact O-N 3.42Å; H271-E274 PolarHBondContact O-N 3.28Å; E274-L276 VanDerWaalsContact C-N 3.33Å; E274-Q277 PolarHBondContact O-N 3.43Å; E274-S278 WeakPolarHBondContact O-CB 2.91Å; E274-S278 PolarHBondContact O-N 3.14Å; E274-S278 PolarHBondContact O-OG 3.37Å
275	T	54.2	Low	44.7	Very low	54 Å²	54	106.4 Å²	106.4	33%	0.331	56%	0.559	S	S	.	*	H	α-helix	trans	-67.9	-32.5	174.8	43.1	0	0	0	0	112.5	H271 V272 S278 R279	H271-T275 WeakPolarHBondContact O-CB 3.35Å; H271-T275 PolarHBondContact O-N 3.26Å; H271-T275 PolarHBondContact O-OG1 3.26Å; V272-T275 VanDerWaalsContact CA-OG1 3.28Å; V272-T275 WeakPolarHBondContact CA-OG1 3.47Å; V272-T275 PolarHBondContact O-OG1 2.71Å; V272-T275 VanDerWaalsContact O-OG1 3.08Å; T275-S278 WeakPolarHBondContact CA-OG 3.29Å; T275-S278 PolarHBondContact O-OG 2.91Å; T275-S278 VanDerWaalsContact O-OG 3.06Å; T275-R279 VanDerWaalsContact O-CB 3.29Å; T275-R279 WeakPolarHBondContact O-CB 3.35Å; T275-R279 VanDerWaalsContact O-CG 3.25Å; T275-R279 WeakPolarHBondContact O-CG 3.44Å; T275-R279 PolarHBondContact O-N 2.82Å
276	L	41.9	Very low	44.3	Very low	100 Å²	100	100.3 Å²	100.3	52%	0.524	55%	0.546	S	S	.	.	H	α-helix	trans	-71.3	-38.5	171.7	-74	171.7	0	0	0	112	V272 M273 E274 R279 L280	V272-L276 HydrophobicContact CG1-CD1 3.95Å; V272-L276 HydrophobicContact CG1-CG 4.44Å; V272-L276 WeakPolarHBondContact O-CB 3.29Å; V272-L276 WeakPolarHBondContact O-CG 3.4Å; V272-L276 PolarHBondContact O-N 3.14Å; M273-L276 PolarHBondContact O-N 3.41Å; E274-L276 VanDerWaalsContact C-N 3.33Å; L276-R279 PolarHBondContact O-N 2.85Å; L276-L280 WeakPolarHBondContact O-CB 3.26Å; L276-L280 PolarHBondContact O-N 2.91Å
277	Q	48.6	Very low	43.8	Very low	130 Å²	130	101.5 Å²	101.5	61%	0.607	56%	0.561	S	S	*	*	H	α-helix	trans	-66.8	-42.2	175	-81.4	-174.8	-15.4	0	0	112.1	M273 E274 L280 A281	M273-Q277 WeakPolarHBondContact O-CB 3.38Å; M273-Q277 PolarHBondContact O-N 3.17Å; E274-Q277 PolarHBondContact O-N 3.43Å; Q277-L280 WeakPolarHBondContact O-CB 3.41Å; Q277-L280 PolarHBondContact O-N 2.88Å; Q277-A281 WeakPolarHBondContact O-CB 3.4Å; Q277-A281 PolarHBondContact O-N 2.94Å
278	S	47	Very low	43	Very low	62 Å²	62	102.1 Å²	102.1	43%	0.434	56%	0.563	S	S	.	*	H	α-helix	trans	-66.3	-39.3	175.8	67.1	0	0	0	0	111.4	E274 T275 A281 T282	E274-S278 WeakPolarHBondContact O-CB 2.91Å; E274-S278 PolarHBondContact O-N 3.14Å; E274-S278 PolarHBondContact O-OG 3.37Å; T275-S278 WeakPolarHBondContact CA-OG 3.29Å; T275-S278 PolarHBondContact O-OG 2.91Å; T275-S278 VanDerWaalsContact O-OG 3.06Å; S278-A281 PolarHBondContact O-N 2.95Å; S278-T282 WeakPolarHBondContact O-CG2 3.45Å; S278-T282 PolarHBondContact O-N 2.89Å; S278-T282 PolarHBondContact O-OG1 3Å
279	R	40.5	Very low	42.4	Very low	181 Å²	181	107.9 Å²	107.9	68%	0.683	59%	0.585	S	S	*	*	H	α-helix	trans	-63.6	-41.5	173.1	-79.2	-174.6	169.2	-170.1	-1.8	112.7	T275 L276 T282 F283	T275-R279 VanDerWaalsContact O-CB 3.29Å; T275-R279 WeakPolarHBondContact O-CB 3.35Å; T275-R279 VanDerWaalsContact O-CG 3.25Å; T275-R279 WeakPolarHBondContact O-CG 3.44Å; T275-R279 PolarHBondContact O-N 2.82Å; L276-R279 PolarHBondContact O-N 2.85Å; R279-T282 WeakPolarHBondContact CA-OG1 3.47Å; R279-T282 PolarHBondContact O-N 2.78Å; R279-T282 PolarHBondContact O-OG1 3.33Å; R279-F283 WeakPolarHBondContact O-CB 3.44Å; R279-F283 PolarHBondContact O-N 3.15Å
280	L	34.1	Very low	41.6	Very low	94 Å²	94	107.4 Å²	107.4	49%	0.492	59%	0.589	S	S	.	*	H	α-helix	trans	-59.2	-47.2	172.3	-89.8	158.3	0	0	0	111.4	L276 Q277 T282 F283 D284	L276-L280 WeakPolarHBondContact O-CB 3.26Å; L276-L280 PolarHBondContact O-N 2.91Å; Q277-L280 WeakPolarHBondContact O-CB 3.41Å; Q277-L280 PolarHBondContact O-N 2.88Å; L280-T282 VanDerWaalsContact C-N 3.35Å; L280-T282 PolarHBondContact O-N 2.83Å; L280-F283 PolarHBondContact O-N 2.74Å; L280-F283 VanDerWaalsContact O-N 3.15Å; L280-D284 PolarHBondContact O-N 2.81Å
281	A	42.2	Very low	40.7	Very low	65 Å²	65	110.5 Å²	110.5	54%	0.537	60%	0.598	S	S	.	*	H	α-helix	trans	-63.5	-38.4	178.6	0	0	0	0	0	112.6	Q277 S278 F283	Q277-A281 WeakPolarHBondContact O-CB 3.4Å; Q277-A281 PolarHBondContact O-N 2.94Å; S278-A281 PolarHBondContact O-N 2.95Å; A281-F283 VanDerWaalsContact C-N 3.34Å
282	T	39.8	Very low	40	Very low	87 Å²	87	109.2 Å²	109.2	53%	0.534	61%	0.607	S	S	.	*	H	α-helix	trans	-68.2	-34.4	174.7	54.4	0	0	0	0	112.3	S278 R279 L280 S285	S278-T282 WeakPolarHBondContact O-CG2 3.45Å; S278-T282 PolarHBondContact O-N 2.89Å; S278-T282 PolarHBondContact O-OG1 3Å; R279-T282 WeakPolarHBondContact CA-OG1 3.47Å; R279-T282 PolarHBondContact O-N 2.78Å; R279-T282 PolarHBondContact O-OG1 3.33Å; L280-T282 VanDerWaalsContact C-N 3.35Å; L280-T282 PolarHBondContact O-N 2.83Å; T282-S285 PolarHBondContact O-N 2.99Å; T282-S285 PolarHBondContact O-OG 3.04Å
283	F	32.8	Very low	39.4	Very low	159 Å²	159	113.9 Å²	113.9	70%	0.697	62%	0.621	S	S	*	*	H	α-helix	trans	-74.2	-31.7	-179.7	-123.3	-86	0	0	0	113.1	R279 L280 A281 S285 S286	R279-F283 WeakPolarHBondContact O-CB 3.44Å; R279-F283 PolarHBondContact O-N 3.15Å; L280-F283 PolarHBondContact O-N 2.74Å; L280-F283 VanDerWaalsContact O-N 3.15Å; A281-F283 VanDerWaalsContact C-N 3.34Å; F283-S285 PolarHBondContact O-N 2.73Å; F283-S285 VanDerWaalsContact O-N 3.15Å; F283-S286 PolarHBondContact O-N 2.78Å; F283-S286 PolarHBondContact O-OG 3.26Å
284	D	37.5	Very low	38.9	Very low	150 Å²	150	114.3 Å²	114.3	80%	0.802	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-16	176.5	-91.1	-21.8	0	0	0	113.2	L280	L280-D284 PolarHBondContact O-N 2.81Å
285	S	42.1	Very low	37.9	Very low	103 Å²	103	112.4 Å²	112.4	72%	0.72	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-9.1	179.1	64	0	0	0	0	114.9	T282 F283	T282-S285 PolarHBondContact O-N 2.99Å; T282-S285 PolarHBondContact O-OG 3.04Å; F283-S285 PolarHBondContact O-N 2.73Å; F283-S285 VanDerWaalsContact O-N 3.15Å
286	S	32.3	Very low	37.4	Very low	61 Å²	61	113 Å²	113	43%	0.427	63%	0.625	S	S	.	*	S	Bend	trans	-109	95.9	-175.1	63	0	0	0	0	112.7	F283	F283-S286 PolarHBondContact O-N 2.78Å; F283-S286 PolarHBondContact O-OG 3.26Å
287	C	27.5	Very low	37.4	Very low	120 Å²	120	113.2 Å²	113.2	81%	0.811	63%	0.627	S	S	*	*			trans	72.7	129.8	160.4	-67.5	0	0	0	0	119.2
288	P	32.5	Very low	36.9	Very low	90 Å²	90	112.4 Å²	112.4	58%	0.584	63%	0.625	S	S	*	*	S	Bend	trans	-89	-7.2	-167.2	-5.3	26.5	0	0	0	116.7
289	D	35	Very low	36.5	Very low	154 Å²	154	115.3 Å²	115.3	82%	0.824	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	3.8	-158.6	-69	-29.2	0	0	0	117
290	V	31.7	Very low	36.6	Very low	109 Å²	109	113.6 Å²	113.6	66%	0.661	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	16.2	-180	-167.5	0	0	0	0	112.8	A292	V290-A292 VanDerWaalsContact C-N 3.28Å; V290-A292 PolarHBondContact O-N 3.01Å
291	K	31.5	Very low	36.8	Very low	172 Å²	172	118.3 Å²	118.3	75%	0.748	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-3.6	-167.8	-87.7	-176.5	174.7	178.6	0	118.1
292	A	39.6	Very low	36.3	Very low	89 Å²	89	120.4 Å²	120.4	74%	0.736	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-37.2	-174.6	0	0	0	0	0	115.7	V290	V290-A292 VanDerWaalsContact C-N 3.28Å; V290-A292 PolarHBondContact O-N 3.01Å
293	K	37.3	Very low	36.1	Very low	180 Å²	180	123.8 Å²	123.8	78%	0.783	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-34.9	-167.9	-81.5	-174.5	174.1	-179.3	0	114.8
294	N	34.2	Very low	36.3	Very low	116 Å²	116	123.7 Å²	123.7	62%	0.62	65%	0.647	S	S	*	*	S	Bend	trans	-86	-16.6	-175.7	-76.4	-11.8	0	0	0	114.5	S296 N297 M298	N294-S296 VanDerWaalsContact C-N 3.3Å; N294-S296 PolarHBondContact O-N 3.46Å; N294-N297 PolarHBondContact O-N 2.67Å; N294-M298 PolarHBondContact O-N 2.86Å
295	D	33.6	Very low	35.9	Very low	84 Å²	84	121 Å²	121	45%	0.449	64%	0.635	S	S	.	*	H	α-helix	trans	-71	-26.5	-175.7	-147.2	37.4	0	0	0	112.6	K299	D295-K299 VanDerWaalsContact O-CB 3.3Å; D295-K299 WeakPolarHBondContact O-CB 3.34Å; D295-K299 WeakPolarHBondContact O-CG 3.31Å; D295-K299 PolarHBondContact O-N 3.39Å; D295-K299 IonicContact OD2-NZ 3.43Å; D295-K299 PolarHBondContact OD2-NZ 3.37Å
296	S	43.9	Very low	35.5	Very low	66 Å²	66	119.8 Å²	119.8	46%	0.462	62%	0.624	S	S	.	*	H	α-helix	trans	-73.4	-38.9	178.9	72.4	0	0	0	0	113.1	N294 K300	N294-S296 VanDerWaalsContact C-N 3.3Å; N294-S296 PolarHBondContact O-N 3.46Å; S296-K300 VanDerWaalsContact O-CG 3.32Å; S296-K300 WeakPolarHBondContact O-CG 3.44Å; S296-K300 PolarHBondContact O-N 3.2Å; S296-K300 VanDerWaalsContact O-N 3.11Å
297	N	42.4	Very low	35.5	Very low	105 Å²	105	122.9 Å²	122.9	56%	0.561	63%	0.63	S	S	*	*	H	α-helix	trans	-77.2	-37.4	-178.8	-99.2	-13.4	0	0	0	112.2	N294 K300 R301	N294-N297 PolarHBondContact O-N 2.67Å; N297-K300 PolarHBondContact O-N 3.37Å; N297-R301 PolarHBondContact O-N 3.04Å
298	M	38.2	Very low	35.6	Very low	114 Å²	114	122.7 Å²	122.7	56%	0.562	62%	0.621	S	S	*	*	H	α-helix	trans	-66.5	-44.1	175.5	-158.6	89	163.1	0	0	110.8	N294 K300 R301 L302	N294-M298 PolarHBondContact O-N 2.86Å; M298-K300 VanDerWaalsContact C-N 3.33Å; M298-K300 PolarHBondContact O-N 2.83Å; M298-R301 PolarHBondContact O-N 2.79Å; M298-L302 PolarHBondContact O-N 3.4Å
299	K	37.9	Very low	35.5	Very low	122 Å²	122	124.1 Å²	124.1	53%	0.53	62%	0.623	S	S	.	*	H	α-helix	trans	-61.2	-37.8	174	-81.9	171.8	175.2	152.2	0	112.8	D295 K303	D295-K299 VanDerWaalsContact O-CB 3.3Å; D295-K299 WeakPolarHBondContact O-CB 3.34Å; D295-K299 WeakPolarHBondContact O-CG 3.31Å; D295-K299 PolarHBondContact O-N 3.39Å; D295-K299 IonicContact OD2-NZ 3.43Å; D295-K299 PolarHBondContact OD2-NZ 3.37Å; K299-K303 VanDerWaalsContact O-CB 3.28Å; K299-K303 WeakPolarHBondContact O-CB 3.22Å; K299-K303 WeakPolarHBondContact O-CG 3.23Å; K299-K303 PolarHBondContact O-N 3.01Å
300	K	42.8	Very low	35.4	Very low	146 Å²	146	120.2 Å²	120.2	64%	0.635	61%	0.607	S	S	*	*	H	α-helix	trans	-64.8	-43.4	174	-78.4	178.1	-179.3	-178.1	0	111.8	S296 N297 M298 K303 K304	S296-K300 VanDerWaalsContact O-CG 3.32Å; S296-K300 WeakPolarHBondContact O-CG 3.44Å; S296-K300 PolarHBondContact O-N 3.2Å; S296-K300 VanDerWaalsContact O-N 3.11Å; N297-K300 PolarHBondContact O-N 3.37Å; M298-K300 VanDerWaalsContact C-N 3.33Å; M298-K300 PolarHBondContact O-N 2.83Å; K300-K303 PolarHBondContact O-N 3.27Å; K300-K304 PolarHBondContact O-N 3.5Å
301	R	38	Very low	35.4	Very low	193 Å²	193	122.3 Å²	122.3	73%	0.728	61%	0.608	S	S	*	*	H	α-helix	trans	-66.9	-42.6	177.3	-73.8	-176.8	68.9	-178.7	1.3	112.3	N297 M298 K304 V305	N297-R301 PolarHBondContact O-N 3.04Å; M298-R301 PolarHBondContact O-N 2.79Å; R301-K304 WeakPolarHBondContact O-CB 3.43Å; R301-K304 PolarHBondContact O-N 2.63Å; R301-K304 VanDerWaalsContact O-N 3.14Å; R301-V305 WeakPolarHBondContact O-CG2 3.22Å; R301-V305 PolarHBondContact O-N 3.14Å
302	L	31.3	Very low	35.3	Very low	108 Å²	108	120.5 Å²	120.5	57%	0.565	61%	0.606	S	S	*	*	H	α-helix	trans	-67.6	-38.6	177.8	-138.2	89.4	0	0	0	111.7	M298 K304 V305 T306	M298-L302 PolarHBondContact O-N 3.4Å; L302-K304 VanDerWaalsContact C-N 3.28Å; L302-K304 PolarHBondContact O-N 3.33Å; L302-V305 PolarHBondContact O-N 3.09Å; L302-T306 WeakPolarHBondContact O-CB 3.38Å; L302-T306 PolarHBondContact O-N 3.28Å; L302-T306 PolarHBondContact O-OG1 3.36Å
303	K	36.4	Very low	34.7	Very low	159 Å²	159	120.1 Å²	120.1	69%	0.691	60%	0.598	S	S	*	*	H	α-helix	trans	-60.5	-38.2	170.6	-83.7	-173	176	-174.7	0	111.4	K299 K300 T306 F307	K299-K303 VanDerWaalsContact O-CB 3.28Å; K299-K303 WeakPolarHBondContact O-CB 3.22Å; K299-K303 WeakPolarHBondContact O-CG 3.23Å; K299-K303 PolarHBondContact O-N 3.01Å; K300-K303 PolarHBondContact O-N 3.27Å; K303-T306 WeakPolarHBondContact CA-OG1 3.37Å; K303-T306 PolarHBondContact O-OG1 2.84Å; K303-F307 WeakPolarHBondContact O-CB 3.46Å; K303-F307 PolarHBondContact O-N 3.3Å
304	K	36.5	Very low	34.1	Very low	156 Å²	156	120.4 Å²	120.4	68%	0.678	60%	0.6	S	S	*	*	H	α-helix	trans	-67.1	-43.7	177.7	-151.5	172.5	-174.8	179.7	0	112	K300 R301 L302 F307 D308	K300-K304 PolarHBondContact O-N 3.5Å; R301-K304 WeakPolarHBondContact O-CB 3.43Å; R301-K304 PolarHBondContact O-N 2.63Å; R301-K304 VanDerWaalsContact O-N 3.14Å; L302-K304 VanDerWaalsContact C-N 3.28Å; L302-K304 PolarHBondContact O-N 3.33Å; K304-F307 PolarHBondContact O-N 2.76Å; K304-D308 PolarHBondContact O-N 3.22Å
305	V	29.9	Very low	33.6	Very low	94 Å²	94	125.4 Å²	125.4	57%	0.57	61%	0.61	S	S	*	*	H	α-helix	trans	-69.6	-36.4	178.4	177.8	0	0	0	0	112.5	R301 L302	R301-V305 WeakPolarHBondContact O-CG2 3.22Å; R301-V305 PolarHBondContact O-N 3.14Å; L302-V305 PolarHBondContact O-N 3.09Å
306	T	33.1	Very low	33.1	Very low	78 Å²	78	130.7 Å²	130.7	48%	0.479	63%	0.625	S	S	.	*	H	α-helix	trans	-75.3	-29.1	174.1	47.5	0	0	0	0	112.6	L302 K303 L309 S310	L302-T306 WeakPolarHBondContact O-CB 3.38Å; L302-T306 PolarHBondContact O-N 3.28Å; L302-T306 PolarHBondContact O-OG1 3.36Å; K303-T306 WeakPolarHBondContact CA-OG1 3.37Å; K303-T306 PolarHBondContact O-OG1 2.84Å; T306-L309 PolarHBondContact O-N 2.92Å; T306-S310 PolarHBondContact O-N 3.45Å; T306-S310 VanDerWaalsContact O-N 3.15Å
307	F	31.3	Very low	32.2	Very low	126 Å²	126	133.8 Å²	133.8	55%	0.553	64%	0.636	S	S	*	*	H	α-helix	trans	-65.4	-39.7	175.1	-167.3	-101.6	0	0	0	111.6	K303 K304 L309 S310	K303-F307 WeakPolarHBondContact O-CB 3.46Å; K303-F307 PolarHBondContact O-N 3.3Å; K304-F307 PolarHBondContact O-N 2.76Å; F307-L309 VanDerWaalsContact C-N 3.32Å; F307-L309 PolarHBondContact O-N 3.43Å; F307-S310 PolarHBondContact O-N 2.97Å; F307-S310 PolarHBondContact O-OG 3.15Å
308	D	30.1	Very low	31.5	Very low	115 Å²	115	132.7 Å²	132.7	62%	0.615	64%	0.637	S	S	*	*	H	α-helix	trans	-69.3	-25.2	177.2	-79.4	-21.6	0	0	0	113.8	K304	K304-D308 PolarHBondContact O-N 3.22Å
309	L	31.4	Very low	31	Very low	120 Å²	120	132.1 Å²	132.1	63%	0.628	64%	0.64	S	S	*	*	H	α-helix	trans	-84.6	-25.1	174.8	-73.3	164.7	0	0	0	113.2	T306 F307 S313	T306-L309 PolarHBondContact O-N 2.92Å; F307-L309 VanDerWaalsContact C-N 3.32Å; F307-L309 PolarHBondContact O-N 3.43Å; L309-S313 PolarHBondContact O-N 3.42Å
310	S	32.4	Very low	30.7	Very low	72 Å²	72	134.1 Å²	134.1	50%	0.503	65%	0.649	S	S	.	*	H	α-helix	trans	-76.2	-25.3	-174.2	69.9	0	0	0	0	114.5	T306 F307	T306-S310 PolarHBondContact O-N 3.45Å; T306-S310 VanDerWaalsContact O-N 3.15Å; F307-S310 PolarHBondContact O-N 2.97Å; F307-S310 PolarHBondContact O-OG 3.15Å
311	K	32.2	Very low	30.1	Very low	153 Å²	153	132.9 Å²	132.9	67%	0.665	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-18.8	174.7	-80.1	-171.1	177.7	-179.6	0	114.3
312	N	29	Very low	29.7	Very low	134 Å²	134	129.6 Å²	129.6	72%	0.717	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-3.1	174.6	-77.6	-10.5	0	0	0	113.7	F314	N312-F314 VanDerWaalsContact C-N 3.29Å; N312-F314 PolarHBondContact O-N 2.97Å; N312-F314 VanDerWaalsContact O-N 3.13Å
313	S	26.2	Very low	29.7	Very low	82 Å²	82	130.8 Å²	130.8	57%	0.573	65%	0.65	S	S	*	*			trans	-83.3	80.3	163.9	-167.6	0	0	0	0	108.6	L309 R315	L309-S313 PolarHBondContact O-N 3.42Å; S313-R315 VanDerWaalsContact C-N 3.25Å; S313-R315 PolarHBondContact O-N 3.45Å
314	F	25.5	Very low	29.3	Very low	186 Å²	186	132.2 Å²	132.2	82%	0.816	65%	0.652	S	S	*	*			trans	-58.1	96.5	162	-83.9	-84.2	0	0	0	107.6	N312 Y316	N312-F314 VanDerWaalsContact C-N 3.29Å; N312-F314 PolarHBondContact O-N 2.97Å; N312-F314 VanDerWaalsContact O-N 3.13Å; F314-Y316 PolarHBondContact O-N 3.23Å
315	R	22.9	Very low	28.9	Very low	220 Å²	220	129.2 Å²	129.2	83%	0.83	65%	0.646	S	S	*	*			trans	-61.1	107	159.2	-82.3	-173.1	177.4	175.8	-0.4	106.5	S313 D317	S313-R315 VanDerWaalsContact C-N 3.25Å; S313-R315 PolarHBondContact O-N 3.45Å; R315-D317 PolarHBondContact O-N 3.21Å
316	Y	24.1	Very low	28.7	Very low	196 Å²	196	135.3 Å²	135.3	77%	0.769	66%	0.659	S	S	*	*			trans	-64	82.7	170	-170.6	-93.5	0	0	0	108.2	F314 S318	F314-Y316 PolarHBondContact O-N 3.23Å; Y316-S318 PolarHBondContact O-N 3.46Å; Y316-S318 VanDerWaalsContact O-N 3.1Å
317	D	24.5	Very low	28.4	Very low	130 Å²	130	135.3 Å²	135.3	70%	0.695	66%	0.659	S	S	*	*			trans	-73.1	99	171.6	-94.9	-23.6	0	0	0	108.2	R315 T319	R315-D317 PolarHBondContact O-N 3.21Å; D317-T319 PolarHBondContact O-N 2.97Å
318	S	28	Very low	28	Very low	83 Å²	83	137.9 Å²	137.9	58%	0.58	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-65.7	-3	-176.2	62.2	0	0	0	0	114.6	Y316	Y316-S318 PolarHBondContact O-N 3.46Å; Y316-S318 VanDerWaalsContact O-N 3.1Å
319	T	28.6	Very low	27.7	Very low	101 Å²	101	136.1 Å²	136.1	62%	0.62	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-85.9	-10	-171.4	54.5	0	0	0	0	114.3	D317	D317-T319 PolarHBondContact O-N 2.97Å
320	K	31.5	Very low	27.5	Very low	165 Å²	165	139.3 Å²	139.3	72%	0.717	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-90.5	-2.7	178.5	-77.9	-172.5	177.7	176.9	0	115.3
321	M	29.8	Very low	27.3	Very low	120 Å²	120	144.7 Å²	144.7	59%	0.591	69%	0.687	S	S	*	*	H	α-helix	trans	-68.4	-39	171.7	-90.8	-75.8	-168.7	0	0	111.3	D323 R324 V325	M321-D323 PolarHBondContact O-N 2.95Å; M321-R324 PolarHBondContact O-N 2.83Å; M321-V325 WeakPolarHBondContact O-CG2 3.41Å; M321-V325 PolarHBondContact O-N 2.94Å; M321-V325 VanDerWaalsContact O-N 3.09Å; M321-V325 HydrophobicContact SD-CG2 4.45Å
322	D	29.6	Very low	27.1	Very low	123 Å²	123	142.5 Å²	142.5	66%	0.658	69%	0.688	S	S	*	*	H	α-helix	trans	-70.6	-30.3	-170.8	-73.8	-24.1	0	0	0	114.1
323	D	30.7	Very low	27.3	Very low	133 Å²	133	140 Å²	140	71%	0.711	69%	0.686	S	S	*	*	H	α-helix	trans	-82.2	-27	176.4	-77.7	-17.3	0	0	0	113.2	M321 T327	M321-D323 PolarHBondContact O-N 2.95Å; D323-T327 PolarHBondContact O-OG1 3.22Å
324	R	27.2	Very low	27.4	Very low	189 Å²	189	139.2 Å²	139.2	71%	0.713	68%	0.675	S	S	*	*	H	α-helix	trans	-82.3	-31.4	179.8	-66.1	-172	97.7	-175.2	4.7	112.6	M321 R326 T327 F328	M321-R324 PolarHBondContact O-N 2.83Å; R324-R326 VanDerWaalsContact C-N 3.27Å; R324-R326 PolarHBondContact O-N 3.45Å; R324-T327 PolarHBondContact O-N 3.46Å; R324-T327 PolarHBondContact O-OG1 3.29Å; R324-F328 WeakPolarHBondContact O-CD2 2.98Å
325	V	28.8	Very low	27.7	Very low	93 Å²	93	137.5 Å²	137.5	56%	0.564	67%	0.668	S	S	*	*	H	α-helix	trans	-68.5	-26.8	177.3	175.9	0	0	0	0	111.7	M321 T327 F328	M321-V325 WeakPolarHBondContact O-CG2 3.41Å; M321-V325 PolarHBondContact O-N 2.94Å; M321-V325 VanDerWaalsContact O-N 3.09Å; M321-V325 HydrophobicContact SD-CG2 4.45Å; V325-T327 VanDerWaalsContact C-N 3.34Å; V325-T327 PolarHBondContact O-N 3.34Å; V325-F328 WeakPolarHBondContact O-CB 3.4Å
326	R	26.5	Very low	28.3	Very low	222 Å²	222	132.2 Å²	132.2	84%	0.838	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-11.7	175.2	-69.1	-171.6	179.3	-170.9	1.6	114.6	R324 F328	R324-R326 VanDerWaalsContact C-N 3.27Å; R324-R326 PolarHBondContact O-N 3.45Å; R326-F328 VanDerWaalsContact C-N 3.34Å
327	T	25.3	Very low	28.9	Very low	79 Å²	79	125.4 Å²	125.4	49%	0.485	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.3	12.3	173.2	9.9	0	0	0	0	113.5	D323 R324 V325 S329	D323-T327 PolarHBondContact O-OG1 3.22Å; R324-T327 PolarHBondContact O-N 3.46Å; R324-T327 PolarHBondContact O-OG1 3.29Å; V325-T327 VanDerWaalsContact C-N 3.34Å; V325-T327 PolarHBondContact O-N 3.34Å; T327-S329 VanDerWaalsContact C-N 3.35Å; T327-S329 PolarHBondContact O-N 2.92Å
328	F	24.7	Very low	29.3	Very low	180 Å²	180	122.9 Å²	122.9	79%	0.789	62%	0.622	S	S	*	*			trans	-87.6	12.9	-176.4	-111.2	-83.9	0	0	0	115.8	R324 V325 R326	R324-F328 WeakPolarHBondContact O-CD2 2.98Å; V325-F328 WeakPolarHBondContact O-CB 3.4Å; R326-F328 VanDerWaalsContact C-N 3.34Å
329	S	23.8	Very low	30.2	Very low	78 Å²	78	122.3 Å²	122.3	55%	0.545	62%	0.618	S	S	.	*	S	Bend	trans	-128.2	136.6	169.3	60.8	0	0	0	0	108.9	T327	T327-S329 VanDerWaalsContact C-N 3.35Å; T327-S329 PolarHBondContact O-N 2.92Å
330	F	26.4	Very low	30.7	Very low	187 Å²	187	123.9 Å²	123.9	82%	0.82	62%	0.617	S	S	*	*			trans	82.1	88.1	-179.8	-54.9	-84.2	0	0	0	117
331	Y	26.9	Very low	31.1	Very low	185 Å²	185	118.4 Å²	118.4	73%	0.725	59%	0.594	S	S	*	*			trans	-134.4	91.8	158.7	-88.6	-84.3	0	0	0	112.7
332	P	29.7	Very low	31.8	Very low	106 Å²	106	118.7 Å²	118.7	69%	0.688	59%	0.592	S	S	*	*	S	Bend	trans	-113.4	150.2	146.5	21.3	-3.1	0	0	0	111.9	N334	P332-N334 PolarHBondContact O-N 3.35Å
333	A	32.2	Very low	32.8	Very low	81 Å²	81	117.7 Å²	117.7	67%	0.669	58%	0.583	S	S	*	*	S	Bend	trans	72.8	3.2	161.7	0	0	0	0	0	122.9	F335	A333-F335 PolarHBondContact O-N 3.43Å
334	N	29	Very low	33.5	Very low	67 Å²	67	113.1 Å²	113.1	36%	0.358	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.4	12	178.3	-80.1	-17	0	0	0	117	P332	P332-N334 PolarHBondContact O-N 3.35Å
335	F	31.1	Very low	34.6	Very low	150 Å²	150	111 Å²	111	66%	0.658	55%	0.549	S	S	*	.	H	α-helix	trans	-81.8	-18	-167.9	-111.8	-83.7	0	0	0	116.6	A333	A333-F335 PolarHBondContact O-N 3.43Å
336	T	36.3	Very low	35.9	Very low	109 Å²	109	109.6 Å²	109.6	67%	0.669	54%	0.54	S	S	*	.	H	α-helix	trans	-82.6	-26	174.3	6.6	0	0	0	0	112.5	L338 S339 F340	T336-L338 VanDerWaalsContact C-N 3.33Å; T336-S339 PolarHBondContact O-N 3.13Å; T336-S339 PolarHBondContact O-OG 3.15Å; T336-F340 PolarHBondContact O-N 3.23Å
337	I	36.6	Very low	37	Very low	52 Å²	52	103 Å²	103	27%	0.267	52%	0.519	S	S	.	.	H	α-helix	trans	-63	-43.4	172.9	-61.4	172.9	0	0	0	109.3	S339 E341 I444	I337-S339 PolarHBondContact O-N 3.47Å; I337-E341 HydrophobicContact CG2-CG 4.05Å; I337-E341 WeakPolarHBondContact O-CB 3.37Å; I337-E341 WeakPolarHBondContact O-CG 3.34Å; I337-E341 PolarHBondContact O-N 2.91Å; I337-I444 HydrophobicContact CD1-CD1 4.12Å
338	L	33.4	Very low	38.4	Very low	77 Å²	77	101.1 Å²	101.1	40%	0.403	51%	0.506	S	S	.	.	H	α-helix	trans	-69.8	-30.1	-178.1	-80.8	169.5	0	0	0	114.4	T336 K342	T336-L338 VanDerWaalsContact C-N 3.33Å; L338-K342 WeakPolarHBondContact O-CA 3.15Å; L338-K342 WeakPolarHBondContact O-CB 3.4Å; L338-K342 WeakPolarHBondContact O-CG 3.06Å; L338-K342 PolarHBondContact O-N 3.17Å
339	S	45.1	Very low	40.1	Very low	71 Å²	71	101.4 Å²	101.4	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-74.8	-37.4	178.8	56.3	0	0	0	0	112.5	T336 I337 H343	T336-S339 PolarHBondContact O-N 3.13Å; T336-S339 PolarHBondContact O-OG 3.15Å; I337-S339 PolarHBondContact O-N 3.47Å; S339-H343 PolarHBondContact O-N 2.76Å
340	F	39.7	Very low	41.7	Very low	134 Å²	134	104 Å²	104	59%	0.588	51%	0.505	S	S	*	.	H	α-helix	trans	-85.5	-38.5	-178.6	-139.1	-86.8	0	0	0	112.4	T336 K342 H343 K344	T336-F340 PolarHBondContact O-N 3.23Å; F340-K342 PolarHBondContact O-N 3.24Å; F340-H343 PolarHBondContact O-N 2.6Å; F340-H343 VanDerWaalsContact O-N 3.1Å; F340-K344 PolarHBondContact O-N 3Å
341	E	40.8	Very low	42.9	Very low	50 Å²	50	96.2 Å²	96.2	23%	0.234	48%	0.475	C	S	.	.	H	α-helix	trans	-58.6	-39.1	163.6	-79.6	-161.6	119.3	0	0	110.2	I337 R345	I337-E341 HydrophobicContact CG2-CG 4.05Å; I337-E341 WeakPolarHBondContact O-CB 3.37Å; I337-E341 WeakPolarHBondContact O-CG 3.34Å; I337-E341 PolarHBondContact O-N 2.91Å; E341-R345 WeakPolarHBondContact O-CA 3.5Å; E341-R345 WeakPolarHBondContact O-CB 3.45Å; E341-R345 WeakPolarHBondContact O-CG 3.15Å; E341-R345 PolarHBondContact O-N 3.22Å; E341-R345 IonicContact OE1-CZ 3.38Å; E341-R345 IonicContact OE1-NE 3.15Å; E341-R345 IonicContact OE1-NH2 2.7Å; E341-R345 PolarHBondContact OE1-NH2 3.3Å; E341-R345 IonicContact OE2-CZ 3.61Å; E341-R345 IonicContact OE2-NH2 3.14Å; E341-R345 PolarHBondContact OE2-NH2 2.97Å; E341-R345 VanDerWaalsContact OE2-NH2 3.13Å
342	K	45	Very low	44.5	Very low	127 Å²	127	93 Å²	93	55%	0.552	47%	0.467	S	S	*	.	H	α-helix	trans	-60.7	-45.4	171.9	-89	178.8	175.5	-173.3	0	111.2	L338 F340 R345 T346	L338-K342 WeakPolarHBondContact O-CA 3.15Å; L338-K342 WeakPolarHBondContact O-CB 3.4Å; L338-K342 WeakPolarHBondContact O-CG 3.06Å; L338-K342 PolarHBondContact O-N 3.17Å; F340-K342 PolarHBondContact O-N 3.24Å; K342-R345 CarbonylContact O-C 3.57Å; K342-R345 PolarHBondContact O-N 3.42Å; K342-T346 WeakPolarHBondContact O-CB 3.22Å; K342-T346 WeakPolarHBondContact O-CG2 3.37Å; K342-T346 PolarHBondContact O-N 3.29Å; K342-T346 PolarHBondContact O-OG1 3Å
343	H	49.7	Very low	46.2	Very low	102 Å²	102	93 Å²	93	47%	0.472	46%	0.461	S	S	.	.	H	α-helix	trans	-63.9	-47.1	-177.4	-156.7	66.1	0	0	0	112.2	S339 F340 T346 Q347	S339-H343 PolarHBondContact O-N 2.76Å; F340-H343 PolarHBondContact O-N 2.6Å; F340-H343 VanDerWaalsContact O-N 3.1Å; H343-T346 VanDerWaalsContact CA-OG1 3.23Å; H343-T346 WeakPolarHBondContact CA-OG1 3.33Å; H343-T346 PolarHBondContact O-N 3.4Å; H343-T346 PolarHBondContact O-OG1 2.81Å; H343-Q347 PolarHBondContact NE2-NE2 3.15Å; H343-Q347 WeakPolarHBondContact O-CG 3.44Å; H343-Q347 PolarHBondContact O-N 2.83Å
344	K	44.6	Very low	47.3	Very low	37 Å²	37	91.1 Å²	91.1	16%	0.161	45%	0.445	C	S	.	.	H	α-helix	trans	-66.9	-39.5	174.6	-86.3	-166.6	173.7	-174.8	0	112.3	F340 T346 Q347 L348 L429 L433	F340-K344 PolarHBondContact O-N 3Å; K344-T346 VanDerWaalsContact C-N 3.32Å; K344-T346 PolarHBondContact O-N 3.38Å; K344-Q347 PolarHBondContact O-N 2.87Å; K344-L348 VanDerWaalsContact O-CB 3.29Å; K344-L348 WeakPolarHBondContact O-CB 3.32Å; K344-L348 PolarHBondContact O-N 3.15Å; K344-L429 HydrophobicContact CD-CD2 4.26Å; K344-L433 HydrophobicContact CD-CD1 4.04Å
345	R	51.6	Low	48.4	Very low	144 Å²	144	88.9 Å²	88.9	54%	0.543	44%	0.435	S	S	.	.	H	α-helix	trans	-66.6	-31.8	173.4	-71.2	175.6	-170.4	-175.5	8.5	112.1	E341 K342 R349	E341-R345 WeakPolarHBondContact O-CA 3.5Å; E341-R345 WeakPolarHBondContact O-CB 3.45Å; E341-R345 WeakPolarHBondContact O-CG 3.15Å; E341-R345 PolarHBondContact O-N 3.22Å; E341-R345 IonicContact OE1-CZ 3.38Å; E341-R345 IonicContact OE1-NE 3.15Å; E341-R345 IonicContact OE1-NH2 2.7Å; E341-R345 PolarHBondContact OE1-NH2 3.3Å; E341-R345 IonicContact OE2-CZ 3.61Å; E341-R345 IonicContact OE2-NH2 3.14Å; E341-R345 PolarHBondContact OE2-NH2 2.97Å; E341-R345 VanDerWaalsContact OE2-NH2 3.13Å; K342-R345 CarbonylContact O-C 3.57Å; K342-R345 PolarHBondContact O-N 3.42Å; R345-R349 WeakPolarHBondContact O-CB 3.49Å; R345-R349 PolarHBondContact O-N 3.38Å
346	T	55.1	Low	50	Low	63 Å²	63	84.3 Å²	84.3	39%	0.387	42%	0.421	S	S	.	.	H	α-helix	trans	-72.6	-39	173.9	44.1	0	0	0	0	111.2	K342 H343 K344 L348 R349 Q350	K342-T346 WeakPolarHBondContact O-CB 3.22Å; K342-T346 WeakPolarHBondContact O-CG2 3.37Å; K342-T346 PolarHBondContact O-N 3.29Å; K342-T346 PolarHBondContact O-OG1 3Å; H343-T346 VanDerWaalsContact CA-OG1 3.23Å; H343-T346 WeakPolarHBondContact CA-OG1 3.33Å; H343-T346 PolarHBondContact O-N 3.4Å; H343-T346 PolarHBondContact O-OG1 2.81Å; K344-T346 VanDerWaalsContact C-N 3.32Å; K344-T346 PolarHBondContact O-N 3.38Å; T346-L348 VanDerWaalsContact C-N 3.33Å; T346-R349 PolarHBondContact O-N 3.49Å; T346-Q350 VanDerWaalsContact O-CB 3.29Å; T346-Q350 WeakPolarHBondContact O-CB 3.14Å; T346-Q350 VanDerWaalsContact O-CG 3.25Å; T346-Q350 WeakPolarHBondContact O-CG 3.42Å; T346-Q350 PolarHBondContact O-N 2.86Å
347	Q	50.5	Low	51.3	Low	83 Å²	83	82.7 Å²	82.7	39%	0.388	41%	0.408	S	S	.	.	H	α-helix	trans	-63.6	-41.9	172.2	-73.6	-179.7	-3.5	0	0	111	H343 K344 Q350 A351	H343-Q347 PolarHBondContact NE2-NE2 3.15Å; H343-Q347 WeakPolarHBondContact O-CG 3.44Å; H343-Q347 PolarHBondContact O-N 2.83Å; K344-Q347 PolarHBondContact O-N 2.87Å; Q347-Q350 PolarHBondContact O-N 2.83Å; Q347-A351 WeakPolarHBondContact O-CB 3.46Å; Q347-A351 PolarHBondContact O-N 3.32Å
348	L	55.3	Low	52.1	Low	41 Å²	41	81.8 Å²	81.8	22%	0.215	40%	0.404	C	S	.	.	H	α-helix	trans	-65.6	-41.9	176.5	-152.4	147.6	0	0	0	111.1	K344 T346 A351 E352 V426	K344-L348 VanDerWaalsContact O-CB 3.29Å; K344-L348 WeakPolarHBondContact O-CB 3.32Å; K344-L348 PolarHBondContact O-N 3.15Å; T346-L348 VanDerWaalsContact C-N 3.33Å; L348-A351 PolarHBondContact O-N 3.24Å; L348-E352 HydrophobicContact CD2-CG 4.24Å; L348-E352 WeakPolarHBondContact CD2-OE1 3.25Å; L348-E352 WeakPolarHBondContact O-CB 3.34Å; L348-E352 WeakPolarHBondContact O-CG 3.15Å; L348-E352 PolarHBondContact O-N 3.16Å; L348-V426 HydrophobicContact CD1-CG1 4.28Å; L348-V426 HydrophobicContact CG-CG1 4.35Å
349	R	60.3	Low	53.6	Low	185 Å²	185	85.3 Å²	85.3	70%	0.698	41%	0.412	S	S	*	.	H	α-helix	trans	-68.4	-34.9	175.3	-170.4	167.5	-177.5	176.3	-0.7	113	R345 T346 L353	R345-R349 WeakPolarHBondContact O-CB 3.49Å; R345-R349 PolarHBondContact O-N 3.38Å; T346-R349 PolarHBondContact O-N 3.49Å; R349-L353 VanDerWaalsContact O-CB 3.27Å; R349-L353 WeakPolarHBondContact O-CB 3.13Å; R349-L353 PolarHBondContact O-N 3.21Å
350	Q	57.6	Low	54.6	Low	133 Å²	133	87.5 Å²	87.5	62%	0.621	41%	0.414	S	S	*	.	H	α-helix	trans	-67.5	-41	173	-80.2	176	-17.4	0	0	111	T346 Q347 L353 A354	T346-Q350 VanDerWaalsContact O-CB 3.29Å; T346-Q350 WeakPolarHBondContact O-CB 3.14Å; T346-Q350 VanDerWaalsContact O-CG 3.25Å; T346-Q350 WeakPolarHBondContact O-CG 3.42Å; T346-Q350 PolarHBondContact O-N 2.86Å; Q347-Q350 PolarHBondContact O-N 2.83Å; Q350-L353 PolarHBondContact O-N 3.28Å; Q350-A354 WeakPolarHBondContact O-CB 3.12Å; Q350-A354 PolarHBondContact O-N 3.09Å
351	A	50.1	Low	55.3	Low	23 Å²	23	85.8 Å²	85.8	19%	0.19	41%	0.408	C	S	.	.	H	α-helix	trans	-65.1	-41.6	174.1	0	0	0	0	0	111.8	Q347 L348 C355	Q347-A351 WeakPolarHBondContact O-CB 3.46Å; Q347-A351 PolarHBondContact O-N 3.32Å; L348-A351 PolarHBondContact O-N 3.24Å; A351-C355 WeakPolarHBondContact O-CB 3.47Å; A351-C355 PolarHBondContact O-N 3.34Å; A351-C355 PolarHBondContact O-SG 2.93Å
352	E	61.7	Low	56.4	Low	118 Å²	118	85.1 Å²	85.1	55%	0.551	41%	0.406	S	S	*	.	H	α-helix	trans	-63.5	-42.3	173.9	-75.9	176	167	0	0	112.3	L348 C355 S356	L348-E352 HydrophobicContact CD2-CG 4.24Å; L348-E352 WeakPolarHBondContact CD2-OE1 3.25Å; L348-E352 WeakPolarHBondContact O-CB 3.34Å; L348-E352 WeakPolarHBondContact O-CG 3.15Å; L348-E352 PolarHBondContact O-N 3.16Å; E352-C355 WeakPolarHBondContact O-CB 3.33Å; E352-C355 PolarHBondContact O-N 3.13Å; E352-S356 PolarHBondContact O-N 2.86Å
353	L	64.6	Low	57.5	Low	105 Å²	105	85 Å²	85	55%	0.55	41%	0.408	S	S	.	.	H	α-helix	trans	-64.1	-48	177.2	-164	80.3	0	0	0	110.9	R349 Q350 C355 S356 D357	R349-L353 VanDerWaalsContact O-CB 3.27Å; R349-L353 WeakPolarHBondContact O-CB 3.13Å; R349-L353 PolarHBondContact O-N 3.21Å; Q350-L353 PolarHBondContact O-N 3.28Å; L353-C355 VanDerWaalsContact C-N 3.26Å; L353-C355 PolarHBondContact O-N 3.49Å; L353-S356 CarbonylContact O-C 3.56Å; L353-S356 WeakPolarHBondContact O-CA 3.49Å; L353-S356 VanDerWaalsContact O-CB 3.26Å; L353-S356 WeakPolarHBondContact O-CB 3.25Å; L353-S356 PolarHBondContact O-N 3.37Å; L353-D357 VanDerWaalsContact O-CG 3.28Å; L353-D357 PolarHBondContact O-N 3Å
354	A	55.2	Low	58	Low	42 Å²	42	86.5 Å²	86.5	35%	0.347	42%	0.415	S	S	.	.	H	α-helix	trans	-60	-36.1	176.2	0	0	0	0	0	112.4	Q350 S356 L358	Q350-A354 WeakPolarHBondContact O-CB 3.12Å; Q350-A354 PolarHBondContact O-N 3.09Å; A354-S356 VanDerWaalsContact C-N 3.33Å; A354-L358 WeakPolarHBondContact O-CB 3.33Å; A354-L358 VanDerWaalsContact O-CG 3.27Å; A354-L358 WeakPolarHBondContact O-CG 3.38Å; A354-L358 PolarHBondContact O-N 2.77Å; A354-L358 VanDerWaalsContact O-N 3.13Å
355	C	52.8	Low	58.2	Low	21 Å²	21	89 Å²	89	14%	0.142	43%	0.43	C	S	.	.	H	α-helix	trans	-67.6	-31.4	171.9	-83.2	0	0	0	0	113.1	A351 E352 L353 R359	A351-C355 WeakPolarHBondContact O-CB 3.47Å; A351-C355 PolarHBondContact O-N 3.34Å; A351-C355 PolarHBondContact O-SG 2.93Å; E352-C355 WeakPolarHBondContact O-CB 3.33Å; E352-C355 PolarHBondContact O-N 3.13Å; L353-C355 VanDerWaalsContact C-N 3.26Å; L353-C355 PolarHBondContact O-N 3.49Å; C355-R359 WeakPolarHBondContact O-CD 3.45Å; C355-R359 VanDerWaalsContact O-CG 3.23Å; C355-R359 WeakPolarHBondContact O-CG 3.46Å; C355-R359 PolarHBondContact O-N 2.87Å
356	S	65	Low	58.8	Low	53 Å²	53	89.4 Å²	89.4	37%	0.371	43%	0.431	S	S	.	.	H	α-helix	trans	-71.2	-48.2	174.6	-167.1	0	0	0	0	111.3	E352 L353 A354 L358 R359 E360	E352-S356 PolarHBondContact O-N 2.86Å; L353-S356 CarbonylContact O-C 3.56Å; L353-S356 WeakPolarHBondContact O-CA 3.49Å; L353-S356 VanDerWaalsContact O-CB 3.26Å; L353-S356 WeakPolarHBondContact O-CB 3.25Å; L353-S356 PolarHBondContact O-N 3.37Å; A354-S356 VanDerWaalsContact C-N 3.33Å; S356-L358 VanDerWaalsContact C-N 3.33Å; S356-L358 PolarHBondContact O-N 2.66Å; S356-R359 WeakPolarHBondContact O-CA 3.38Å; S356-R359 WeakPolarHBondContact O-CB 3.34Å; S356-R359 PolarHBondContact O-N 3.36Å; S356-E360 PolarHBondContact O-N 2.94Å
357	D	62.7	Low	59	Low	75 Å²	75	89.4 Å²	89.4	40%	0.401	44%	0.437	S	S	.	.	H	α-helix	trans	-60.6	-43.9	-179.3	-59.4	-17.7	0	0	0	110.6	L353 R359 E360 E361	L353-D357 VanDerWaalsContact O-CG 3.28Å; L353-D357 PolarHBondContact O-N 3Å; D357-R359 PolarHBondContact O-N 2.96Å; D357-E360 PolarHBondContact O-N 2.98Å; D357-E361 PolarHBondContact O-N 3.08Å
358	L	52.6	Low	59.3	Low	34 Å²	34	89.5 Å²	89.5	18%	0.178	44%	0.443	C	S	.	.	H	α-helix	trans	-64.5	-24.7	174.4	-73	177.6	0	0	0	113.7	A354 S356 N362	A354-L358 WeakPolarHBondContact O-CB 3.33Å; A354-L358 VanDerWaalsContact O-CG 3.27Å; A354-L358 WeakPolarHBondContact O-CG 3.38Å; A354-L358 PolarHBondContact O-N 2.77Å; A354-L358 VanDerWaalsContact O-N 3.13Å; S356-L358 VanDerWaalsContact C-N 3.33Å; S356-L358 PolarHBondContact O-N 2.66Å; L358-N362 PolarHBondContact O-N 3.16Å; L358-N362 PolarHBondContact O-ND2 2.98Å
359	R	66.5	Low	59.5	Low	150 Å²	150	89.9 Å²	89.9	57%	0.566	45%	0.445	S	S	*	.	H	α-helix	trans	-77.8	-40.7	174.3	-77.2	171	-177.9	-178.3	2.8	111	C355 S356 D357 N362 E363	C355-R359 WeakPolarHBondContact O-CD 3.45Å; C355-R359 VanDerWaalsContact O-CG 3.23Å; C355-R359 WeakPolarHBondContact O-CG 3.46Å; C355-R359 PolarHBondContact O-N 2.87Å; S356-R359 WeakPolarHBondContact O-CA 3.38Å; S356-R359 WeakPolarHBondContact O-CB 3.34Å; S356-R359 PolarHBondContact O-N 3.36Å; D357-R359 PolarHBondContact O-N 2.96Å; R359-N362 WeakPolarHBondContact O-CB 3.45Å; R359-N362 PolarHBondContact O-N 3.2Å; R359-E363 PolarHBondContact O-N 2.7Å; R359-E363 VanDerWaalsContact O-N 3.09Å
360	E	65.1	Low	59.7	Low	117 Å²	117	83.2 Å²	83.2	55%	0.547	43%	0.43	S	S	.	.	H	α-helix	trans	-62.9	-46.6	174.8	-70.9	-171	170.1	0	0	111.3	S356 D357 N362 E363 E364	S356-E360 PolarHBondContact O-N 2.94Å; D357-E360 PolarHBondContact O-N 2.98Å; E360-N362 PolarHBondContact O-N 3.15Å; E360-E363 WeakPolarHBondContact O-CA 3.45Å; E360-E363 PolarHBondContact O-N 2.96Å; E360-E364 PolarHBondContact O-N 3.5Å
361	E	55.6	Low	59.9	Low	99 Å²	99	81 Å²	81	46%	0.463	42%	0.422	S	S	.	.	H	α-helix	trans	-56.3	-38.2	174.3	-74.6	-177.3	169.6	0	0	112.2	D357 E363 L365	D357-E361 PolarHBondContact O-N 3.08Å; E361-E363 VanDerWaalsContact C-N 3.34Å; E361-E363 PolarHBondContact O-N 3.24Å; E361-L365 WeakPolarHBondContact O-CB 3.42Å; E361-L365 VanDerWaalsContact O-CG 3.28Å; E361-L365 WeakPolarHBondContact O-CG 3.19Å; E361-L365 PolarHBondContact O-N 3.34Å
362	N	62.8	Low	59.9	Low	36 Å²	36	84.5 Å²	84.5	19%	0.193	44%	0.437	C	S	.	.	H	α-helix	trans	-68.8	-30.9	176.3	-92.7	-71.4	0	0	0	113.1	L358 R359 E360 R366	L358-N362 PolarHBondContact O-N 3.16Å; L358-N362 PolarHBondContact O-ND2 2.98Å; R359-N362 WeakPolarHBondContact O-CB 3.45Å; R359-N362 PolarHBondContact O-N 3.2Å; E360-N362 PolarHBondContact O-N 3.15Å; N362-R366 VanDerWaalsContact O-CG 3.29Å; N362-R366 WeakPolarHBondContact O-CG 3.36Å; N362-R366 PolarHBondContact O-N 3.17Å
363	E	67.7	Low	59.6	Low	123 Å²	123	84.8 Å²	84.8	58%	0.575	44%	0.438	S	S	*	.	H	α-helix	trans	-77.2	-37.7	176.2	-88.7	164.8	175.1	0	0	112.1	R359 E360 E361 R366 A367	R359-E363 PolarHBondContact O-N 2.7Å; R359-E363 VanDerWaalsContact O-N 3.09Å; E360-E363 WeakPolarHBondContact O-CA 3.45Å; E360-E363 PolarHBondContact O-N 2.96Å; E361-E363 VanDerWaalsContact C-N 3.34Å; E361-E363 PolarHBondContact O-N 3.24Å; E363-R366 WeakPolarHBondContact O-CB 3.43Å; E363-R366 PolarHBondContact O-N 3.44Å; E363-A367 PolarHBondContact O-N 3.48Å
364	E	59.8	Low	59.4	Low	134 Å²	134	83.7 Å²	83.7	63%	0.626	43%	0.433	S	S	*	.	H	α-helix	trans	-62.1	-45.6	171.6	-68.9	-169.7	161.7	0	0	111.7	E360 R366 A367 V368	E360-E364 PolarHBondContact O-N 3.5Å; E364-R366 VanDerWaalsContact C-N 3.28Å; E364-R366 PolarHBondContact O-N 2.92Å; E364-A367 WeakPolarHBondContact O-CB 3.31Å; E364-A367 PolarHBondContact O-N 2.92Å; E364-A367 VanDerWaalsContact O-N 3.08Å; E364-V368 WeakPolarHBondContact O-CG2 3.42Å; E364-V368 PolarHBondContact O-N 2.99Å
365	L	49.3	Very low	59.2	Low	90 Å²	90	89.4 Å²	89.4	47%	0.471	45%	0.446	S	S	.	.	H	α-helix	trans	-59	-39.4	175	-74.1	172	0	0	0	111.9	E361 I369	E361-L365 WeakPolarHBondContact O-CB 3.42Å; E361-L365 VanDerWaalsContact O-CG 3.28Å; E361-L365 WeakPolarHBondContact O-CG 3.19Å; E361-L365 PolarHBondContact O-N 3.34Å; L365-I369 WeakPolarHBondContact O-CD1 3.12Å; L365-I369 WeakPolarHBondContact O-CG1 3.43Å; L365-I369 PolarHBondContact O-N 3.14Å; L365-I369 VanDerWaalsContact O-N 3.1Å
366	R	64.8	Low	58.9	Low	153 Å²	153	92.2 Å²	92.2	58%	0.577	46%	0.459	S	S	*	.	H	α-helix	trans	-65.4	-38.3	174.5	-75	174.4	-170.8	175.6	6.2	112.5	N362 E363 E364 I369 A370	N362-R366 VanDerWaalsContact O-CG 3.29Å; N362-R366 WeakPolarHBondContact O-CG 3.36Å; N362-R366 PolarHBondContact O-N 3.17Å; E363-R366 WeakPolarHBondContact O-CB 3.43Å; E363-R366 PolarHBondContact O-N 3.44Å; E364-R366 VanDerWaalsContact C-N 3.28Å; E364-R366 PolarHBondContact O-N 2.92Å; R366-I369 PolarHBondContact O-N 3.46Å; R366-A370 PolarHBondContact O-N 3.06Å
367	A	58.9	Low	58.3	Low	62 Å²	62	97.2 Å²	97.2	51%	0.512	47%	0.47	S	S	.	.	H	α-helix	trans	-66.3	-43.8	177.6	0	0	0	0	0	111.7	E363 E364 I369 A370 D371	E363-A367 PolarHBondContact O-N 3.48Å; E364-A367 WeakPolarHBondContact O-CB 3.31Å; E364-A367 PolarHBondContact O-N 2.92Å; E364-A367 VanDerWaalsContact O-N 3.08Å; A367-I369 VanDerWaalsContact C-N 3.29Å; A367-I369 PolarHBondContact O-N 2.98Å; A367-A370 PolarHBondContact O-N 2.75Å; A367-D371 PolarHBondContact O-N 3.31Å
368	V	56.7	Low	57.6	Low	85 Å²	85	98.4 Å²	98.4	52%	0.515	48%	0.476	S	S	.	.	H	α-helix	trans	-61	-39.4	175.5	173.7	0	0	0	0	111.2	E364 D371 L372	E364-V368 WeakPolarHBondContact O-CG2 3.42Å; E364-V368 PolarHBondContact O-N 2.99Å; V368-D371 PolarHBondContact O-N 2.89Å; V368-L372 HydrophobicContact CG1-CD1 4.16Å; V368-L372 WeakPolarHBondContact O-CG 3.42Å; V368-L372 PolarHBondContact O-N 3.06Å
369	I	60.6	Low	57.2	Low	49 Å²	49	101 Å²	101	25%	0.251	50%	0.496	S	S	.	.	H	α-helix	trans	-64.4	-45.6	176.1	-67.6	158	0	0	0	111.2	L365 R366 A367 D371 L372 E373 M408	L365-I369 WeakPolarHBondContact O-CD1 3.12Å; L365-I369 WeakPolarHBondContact O-CG1 3.43Å; L365-I369 PolarHBondContact O-N 3.14Å; L365-I369 VanDerWaalsContact O-N 3.1Å; R366-I369 PolarHBondContact O-N 3.46Å; A367-I369 VanDerWaalsContact C-N 3.29Å; A367-I369 PolarHBondContact O-N 2.98Å; I369-D371 VanDerWaalsContact C-N 3.26Å; I369-D371 PolarHBondContact O-N 2.78Å; I369-L372 PolarHBondContact O-N 3.36Å; I369-E373 HydrophobicContact CG2-CG 4.37Å; I369-E373 WeakPolarHBondContact O-CB 3.5Å; I369-E373 WeakPolarHBondContact O-CG 3.32Å; I369-E373 PolarHBondContact O-N 3.13Å; I369-M408 HydrophobicContact CD1-CE 3.73Å; I369-M408 HydrophobicContact CD1-SD 3.31Å; I369-M408 WeakPolarHBondContact CD1-SD 3.2Å; I369-M408 HydrophobicContact CG1-CE 4.46Å; I369-M408 HydrophobicContact CG1-SD 4.35Å
370	A	62.5	Low	56.2	Low	45 Å²	45	97 Å²	97	37%	0.372	49%	0.49	S	S	.	.	H	α-helix	trans	-61.6	-36.8	178.2	0	0	0	0	0	111.9	R366 A367 E373 N374	R366-A370 PolarHBondContact O-N 3.06Å; A367-A370 PolarHBondContact O-N 2.75Å; A370-E373 PolarHBondContact O-N 3.14Å; A370-N374 VanDerWaalsContact O-CG 3.22Å; A370-N374 PolarHBondContact O-N 2.95Å; A370-N374 PolarHBondContact O-ND2 3.34Å
371	D	62.5	Low	55.2	Low	87 Å²	87	99.1 Å²	99.1	47%	0.465	50%	0.5	S	S	.	.	H	α-helix	trans	-66.3	-45.5	174.1	-169.5	64	0	0	0	111.9	A367 V368 I369 E373 N374 R375	A367-D371 PolarHBondContact O-N 3.31Å; V368-D371 PolarHBondContact O-N 2.89Å; I369-D371 VanDerWaalsContact C-N 3.26Å; I369-D371 PolarHBondContact O-N 2.78Å; D371-E373 VanDerWaalsContact C-N 3.31Å; D371-E373 PolarHBondContact O-N 3.16Å; D371-N374 PolarHBondContact O-N 3.4Å; D371-R375 WeakPolarHBondContact O-CG 3.46Å; D371-R375 PolarHBondContact O-N 3.14Å
372	L	49.8	Very low	54.5	Low	97 Å²	97	101 Å²	101	51%	0.508	51%	0.513	S	S	.	.	H	α-helix	trans	-61.2	-39.1	175.2	-73.5	171.9	0	0	0	112.3	V368 I369 L376	V368-L372 HydrophobicContact CG1-CD1 4.16Å; V368-L372 WeakPolarHBondContact O-CG 3.42Å; V368-L372 PolarHBondContact O-N 3.06Å; I369-L372 PolarHBondContact O-N 3.36Å; L372-L376 WeakPolarHBondContact O-CB 3.31Å; L372-L376 PolarHBondContact O-N 3.19Å
373	E	56.7	Low	53.2	Low	123 Å²	123	103.5 Å²	103.5	58%	0.575	52%	0.523	S	S	*	.	H	α-helix	trans	-65.8	-37.7	175	-75	-178.4	169.1	0	0	112.3	I369 A370 D371 L376 R377	I369-E373 HydrophobicContact CG2-CG 4.37Å; I369-E373 WeakPolarHBondContact O-CB 3.5Å; I369-E373 WeakPolarHBondContact O-CG 3.32Å; I369-E373 PolarHBondContact O-N 3.13Å; A370-E373 PolarHBondContact O-N 3.14Å; D371-E373 VanDerWaalsContact C-N 3.31Å; D371-E373 PolarHBondContact O-N 3.16Å; E373-L376 PolarHBondContact O-N 3.5Å; E373-R377 PolarHBondContact O-N 2.96Å; E373-R377 VanDerWaalsContact O-N 3.09Å
374	N	58.9	Low	52	Low	82 Å²	82	105.2 Å²	105.2	44%	0.439	53%	0.531	S	S	.	.	H	α-helix	trans	-68.5	-47	175.1	-72.1	-25.3	0	0	0	111.6	A370 D371 L376 R377 D378	A370-N374 VanDerWaalsContact O-CG 3.22Å; A370-N374 PolarHBondContact O-N 2.95Å; A370-N374 PolarHBondContact O-ND2 3.34Å; D371-N374 PolarHBondContact O-N 3.4Å; N374-L376 PolarHBondContact O-N 3.05Å; N374-R377 WeakPolarHBondContact O-CA 3.33Å; N374-R377 WeakPolarHBondContact O-CB 3.37Å; N374-R377 PolarHBondContact O-N 3.28Å; N374-D378 PolarHBondContact O-N 3.04Å
375	R	51	Low	51.2	Low	162 Å²	162	105.6 Å²	105.6	61%	0.611	54%	0.542	S	S	*	.	H	α-helix	trans	-60.8	-32.2	176	-66.7	177.9	96.7	177.6	7.1	111.7	D371 C379	D371-R375 WeakPolarHBondContact O-CG 3.46Å; D371-R375 PolarHBondContact O-N 3.14Å; R375-C379 PolarHBondContact O-N 3.23Å; R375-C379 PolarHBondContact O-SG 3.47Å
376	L	47.8	Very low	50.8	Low	80 Å²	80	106.6 Å²	106.6	42%	0.419	55%	0.545	S	S	.	.	H	α-helix	trans	-68.9	-36.6	173	-127.3	103.4	0	0	0	112.8	L372 E373 N374 C379 C380	L372-L376 WeakPolarHBondContact O-CB 3.31Å; L372-L376 PolarHBondContact O-N 3.19Å; E373-L376 PolarHBondContact O-N 3.5Å; N374-L376 PolarHBondContact O-N 3.05Å; L376-C379 PolarHBondContact O-N 2.76Å; L376-C380 PolarHBondContact O-N 3.03Å
377	R	51.1	Low	49.8	Very low	159 Å²	159	106.6 Å²	106.6	60%	0.6	54%	0.544	S	S	*	.	H	α-helix	trans	-68.7	-42.8	177.1	-168.4	-174.9	-53.2	-141.7	0.9	111.4	E373 N374 C379 C380	E373-R377 PolarHBondContact O-N 2.96Å; E373-R377 VanDerWaalsContact O-N 3.09Å; N374-R377 WeakPolarHBondContact O-CA 3.33Å; N374-R377 WeakPolarHBondContact O-CB 3.37Å; N374-R377 PolarHBondContact O-N 3.28Å; R377-C379 PolarHBondContact O-N 2.7Å; R377-C380 WeakPolarHBondContact O-CB 3.35Å; R377-C380 PolarHBondContact O-N 3.4Å
378	D	49.6	Very low	49.4	Very low	100 Å²	100	112.8 Å²	112.8	54%	0.535	56%	0.563	S	S	.	*	H	α-helix	trans	-62.4	-34.5	176.6	-64.4	-14.9	0	0	0	111.3	N374 C380 E381	N374-D378 PolarHBondContact O-N 3.04Å; D378-C380 VanDerWaalsContact C-N 3.3Å; D378-C380 PolarHBondContact O-N 2.84Å; D378-E381 PolarHBondContact O-N 2.63Å
379	C	44.2	Very low	49	Very low	89 Å²	89	115.5 Å²	115.5	60%	0.601	57%	0.57	S	S	*	*	H	α-helix	trans	-66.8	-26.8	173.2	-73.5	0	0	0	0	113.8	R375 L376 R377	R375-C379 PolarHBondContact O-N 3.23Å; R375-C379 PolarHBondContact O-SG 3.47Å; L376-C379 PolarHBondContact O-N 2.76Å; R377-C379 PolarHBondContact O-N 2.7Å
380	C	45.7	Very low	48.3	Very low	65 Å²	65	116.3 Å²	116.3	44%	0.439	57%	0.573	S	S	.	*	H	α-helix	trans	-76.3	-18.6	177.7	-85.5	0	0	0	0	113.3	L376 R377 D378 L382 E383	L376-C380 PolarHBondContact O-N 3.03Å; R377-C380 WeakPolarHBondContact O-CB 3.35Å; R377-C380 PolarHBondContact O-N 3.4Å; D378-C380 VanDerWaalsContact C-N 3.3Å; D378-C380 PolarHBondContact O-N 2.84Å; C380-L382 VanDerWaalsContact C-N 3.29Å; C380-L382 PolarHBondContact O-N 3.32Å; C380-E383 WeakPolarHBondContact O-CB 3.44Å; C380-E383 WeakPolarHBondContact O-CG 3.46Å; C380-E383 PolarHBondContact SG-OE1 3.22Å
381	E	44	Very low	47.8	Very low	162 Å²	162	121.9 Å²	121.9	76%	0.757	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-6.4	-179.7	-65.5	-172.7	172.4	0	0	113.6	D378	D378-E381 PolarHBondContact O-N 2.63Å
382	L	40.7	Very low	47.2	Very low	139 Å²	139	122.5 Å²	122.5	73%	0.728	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	26.7	-179.1	-77.3	158.1	0	0	0	113.7	C380 E384	C380-L382 VanDerWaalsContact C-N 3.29Å; C380-L382 PolarHBondContact O-N 3.32Å; L382-E384 PolarHBondContact O-N 3.32Å
383	E	34.5	Very low	47.1	Very low	87 Å²	87	122.6 Å²	122.6	41%	0.407	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.5	6.6	-153.3	-101.6	178.8	-167.6	0	0	119.5	C380 R387	C380-E383 WeakPolarHBondContact O-CB 3.44Å; C380-E383 WeakPolarHBondContact O-CG 3.46Å; C380-E383 PolarHBondContact SG-OE1 3.22Å; E383-R387 PolarHBondContact O-NE 3.46Å
384	E	43	Very low	47.1	Very low	160 Å²	160	121.6 Å²	121.6	75%	0.748	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-18.6	-174.3	-65.8	-156.7	140.8	0	0	116.8	L382 R387	L382-E384 PolarHBondContact O-N 3.32Å; E384-R387 IonicContact OE1-NH2 3.61Å
385	V	43.7	Very low	47.4	Very low	142 Å²	142	119.7 Å²	119.7	86%	0.861	60%	0.598	S	S	*	*	S	Bend	trans	-103	-18.8	-177.7	-176.1	0	0	0	0	113.6
386	Q	39.7	Very low	47.4	Very low	111 Å²	111	121 Å²	121	52%	0.519	60%	0.603	S	S	.	*			trans	-99.1	8.9	-172.5	-67.5	-176	-9.1	0	0	115.7	Q388 Q389 Q390	Q386-Q388 PolarHBondContact O-N 2.94Å; Q386-Q389 PolarHBondContact O-N 3.32Å; Q386-Q390 WeakPolarHBondContact O-CG 3.43Å; Q386-Q390 PolarHBondContact O-N 2.87Å
387	R	44.9	Very low	47.5	Very low	152 Å²	152	120.8 Å²	120.8	57%	0.574	60%	0.602	S	S	*	*	H	α-helix	trans	-57.8	-22.2	-174.4	-71.1	-172.8	-169.1	172.3	8.4	114.9	E383 E384	E383-R387 PolarHBondContact O-NE 3.46Å; E384-R387 IonicContact OE1-NH2 3.61Å
388	Q	50.5	Low	48.5	Very low	192 Å²	192	119 Å²	119	90%	0.897	60%	0.598	S	S	*	*	H	α-helix	trans	-85.9	-28.1	177.6	-69.4	-176	-4.4	0	0	113.9	Q386	Q386-Q388 PolarHBondContact O-N 2.94Å
389	Q	48.1	Very low	49.3	Very low	142 Å²	142	120.5 Å²	120.5	66%	0.664	60%	0.602	S	S	*	*	H	α-helix	trans	-82	-20.3	172.8	-97	168.6	-21.5	0	0	112.6	Q386 N393	Q386-Q389 PolarHBondContact O-N 3.32Å; Q389-N393 PolarHBondContact O-N 2.95Å
390	Q	45	Very low	49.8	Very low	66 Å²	66	120.6 Å²	120.6	31%	0.308	60%	0.596	S	S	.	*	H	α-helix	trans	-69.2	-32.8	-176.4	-81.9	177.3	-19.3	0	0	114.6	Q386 S392 N393 E394	Q386-Q390 WeakPolarHBondContact O-CG 3.43Å; Q386-Q390 PolarHBondContact O-N 2.87Å; Q390-S392 VanDerWaalsContact C-N 3.31Å; Q390-S392 PolarHBondContact O-N 2.99Å; Q390-N393 PolarHBondContact O-N 3.27Å; Q390-E394 WeakPolarHBondContact O-CB 3.41Å; Q390-E394 PolarHBondContact O-N 2.99Å
391	Q	53.1	Low	50.7	Low	163 Å²	163	122.8 Å²	122.8	76%	0.762	60%	0.595	S	S	*	*	H	α-helix	trans	-65.8	-33.7	-177.6	-71.5	-171.2	-7.5	0	0	113.1
392	S	49.5	Very low	52	Low	100 Å²	100	122.3 Å²	122.3	70%	0.699	59%	0.591	S	S	*	*	H	α-helix	trans	-76.4	-39.1	175.6	-174.7	0	0	0	0	111.7	Q390	Q390-S392 VanDerWaalsContact C-N 3.31Å; Q390-S392 PolarHBondContact O-N 2.99Å
393	N	47.1	Very low	52.9	Low	99 Å²	99	121 Å²	121	53%	0.529	58%	0.581	S	S	.	*	H	α-helix	trans	-72.9	-29.9	179.4	-73.9	-18.7	0	0	0	113	Q389 Q390 G395 R396 L397	Q389-N393 PolarHBondContact O-N 2.95Å; Q390-N393 PolarHBondContact O-N 3.27Å; N393-G395 VanDerWaalsContact C-N 3.3Å; N393-G395 PolarHBondContact O-N 2.85Å; N393-R396 PolarHBondContact O-N 2.95Å; N393-L397 WeakPolarHBondContact O-CB 3.36Å; N393-L397 PolarHBondContact O-N 3.29Å
394	E	58	Low	53.9	Low	102 Å²	102	120.6 Å²	120.6	48%	0.477	59%	0.586	S	S	.	*	H	α-helix	trans	-58.3	-39.3	177.5	-102.7	-157.7	117.2	0	0	112.9	Q390 L397 K398	Q390-E394 WeakPolarHBondContact O-CB 3.41Å; Q390-E394 PolarHBondContact O-N 2.99Å; E394-L397 PolarHBondContact O-N 3.28Å; E394-K398 WeakPolarHBondContact O-CG 3.48Å; E394-K398 PolarHBondContact O-N 3.5Å; E394-K398 IonicContact OE1-NZ 3.83Å
395	G	64.3	Low	54.9	Low	41 Å²	41	120.3 Å²	120.3	42%	0.423	58%	0.579	S	S	.	*	H	α-helix	trans	-61.9	-52	177.6	0	0	0	0	0	111.2	N393 L397 K398 E399	N393-G395 VanDerWaalsContact C-N 3.3Å; N393-G395 PolarHBondContact O-N 2.85Å; G395-L397 VanDerWaalsContact C-N 3.29Å; G395-L397 PolarHBondContact O-N 3.16Å; G395-K398 PolarHBondContact O-N 3.33Å; G395-E399 PolarHBondContact O-N 3.45Å
396	R	50.8	Low	56.1	Low	191 Å²	191	117.1 Å²	117.1	72%	0.721	56%	0.56	S	S	*	*	H	α-helix	trans	-64.1	-34.5	179.7	-145	173	-175	172.2	0.4	112.1	N393 E399 L400	N393-R396 PolarHBondContact O-N 2.95Å; R396-E399 PolarHBondContact O-N 2.83Å; R396-L400 PolarHBondContact O-N 2.94Å; R396-L400 VanDerWaalsContact O-N 3.09Å
397	L	51	Low	57.3	Low	75 Å²	75	117.3 Å²	117.3	39%	0.393	56%	0.563	S	S	.	*	H	α-helix	trans	-69.8	-37.2	177.3	-151.8	88.5	0	0	0	112.5	N393 E394 G395 E399 R401	N393-L397 WeakPolarHBondContact O-CB 3.36Å; N393-L397 PolarHBondContact O-N 3.29Å; E394-L397 PolarHBondContact O-N 3.28Å; G395-L397 VanDerWaalsContact C-N 3.29Å; G395-L397 PolarHBondContact O-N 3.16Å; L397-E399 VanDerWaalsContact C-N 3.29Å; L397-E399 PolarHBondContact O-N 3.36Å; L397-R401 WeakPolarHBondContact O-CB 3.5Å; L397-R401 VanDerWaalsContact O-CG 3.28Å; L397-R401 WeakPolarHBondContact O-CG 3.42Å; L397-R401 PolarHBondContact O-N 2.88Å
398	K	70.6	Confident	57.9	Low	120 Å²	120	114.3 Å²	114.3	52%	0.522	56%	0.557	S	S	.	*	H	α-helix	trans	-65.6	-34.3	175.7	-78.6	174	-175.6	165.3	0	111.8	E394 G395 K402	E394-K398 WeakPolarHBondContact O-CG 3.48Å; E394-K398 PolarHBondContact O-N 3.5Å; E394-K398 IonicContact OE1-NZ 3.83Å; G395-K398 PolarHBondContact O-N 3.33Å; K398-K402 PolarHBondContact O-N 3.19Å
399	E	66.9	Low	58.9	Low	132 Å²	132	111.3 Å²	111.3	62%	0.617	55%	0.546	S	S	*	.	H	α-helix	trans	-72	-49.7	178.5	-153.8	138.8	-136.9	0	0	111.4	G395 R396 L397 R401 K402 E403	G395-E399 PolarHBondContact O-N 3.45Å; R396-E399 PolarHBondContact O-N 2.83Å; L397-E399 VanDerWaalsContact C-N 3.29Å; L397-E399 PolarHBondContact O-N 3.36Å; E399-R401 VanDerWaalsContact C-N 3.3Å; E399-R401 PolarHBondContact O-N 3.27Å; E399-K402 WeakPolarHBondContact O-CA 3.41Å; E399-K402 WeakPolarHBondContact O-CB 3.43Å; E399-K402 PolarHBondContact O-N 2.84Å; E399-E403 PolarHBondContact O-N 3.38Å
400	L	54.7	Low	60	Low	91 Å²	91	111.4 Å²	111.4	48%	0.476	54%	0.544	S	S	.	.	H	α-helix	trans	-58.1	-39.5	173.7	-77.2	163.7	0	0	0	112.4	R396 K402 E403 C404	R396-L400 PolarHBondContact O-N 2.94Å; R396-L400 VanDerWaalsContact O-N 3.09Å; L400-K402 VanDerWaalsContact C-N 3.28Å; L400-K402 PolarHBondContact O-N 2.99Å; L400-E403 PolarHBondContact O-N 3.39Å; L400-C404 WeakPolarHBondContact O-CB 3.35Å; L400-C404 PolarHBondContact O-N 2.88Å; L400-C404 PolarHBondContact O-SG 3.12Å
401	R	64.3	Low	60.8	Low	111 Å²	111	109.9 Å²	109.9	42%	0.419	54%	0.541	S	S	.	.	H	α-helix	trans	-65.4	-26.9	174.7	-80.3	176.7	174.8	165.9	-2.8	113.7	L397 E399 R405	L397-R401 WeakPolarHBondContact O-CB 3.5Å; L397-R401 VanDerWaalsContact O-CG 3.28Å; L397-R401 WeakPolarHBondContact O-CG 3.42Å; L397-R401 PolarHBondContact O-N 2.88Å; E399-R401 VanDerWaalsContact C-N 3.3Å; E399-R401 PolarHBondContact O-N 3.27Å; R401-R405 WeakPolarHBondContact O-CB 3.26Å; R401-R405 PolarHBondContact O-NE 2.73Å; R401-R405 VanDerWaalsContact O-NE 3.13Å
402	K	71.1	Confident	61.5	Low	153 Å²	153	107.8 Å²	107.8	67%	0.665	53%	0.529	S	S	*	.	H	α-helix	trans	-75.5	-48	172.6	-80.9	-179.3	177.3	178.1	0	109.6	K398 E399 L400 C404 R405 T406	K398-K402 PolarHBondContact O-N 3.19Å; E399-K402 WeakPolarHBondContact O-CA 3.41Å; E399-K402 WeakPolarHBondContact O-CB 3.43Å; E399-K402 PolarHBondContact O-N 2.84Å; L400-K402 VanDerWaalsContact C-N 3.28Å; L400-K402 PolarHBondContact O-N 2.99Å; K402-C404 PolarHBondContact O-N 3.5Å; K402-R405 PolarHBondContact O-N 2.75Å; K402-T406 PolarHBondContact O-N 2.85Å; K402-T406 PolarHBondContact O-OG1 2.89Å
403	E	60	Low	62.5	Low	112 Å²	112	105.9 Å²	105.9	52%	0.523	52%	0.52	S	S	.	.	H	α-helix	trans	-59	-49.6	179.8	-70.6	-177.2	163.8	0	0	112.4	E399 L400 R405 T406 I407	E399-E403 PolarHBondContact O-N 3.38Å; L400-E403 PolarHBondContact O-N 3.39Å; E403-R405 VanDerWaalsContact C-N 3.32Å; E403-R405 PolarHBondContact O-N 2.87Å; E403-T406 PolarHBondContact O-N 3.24Å; E403-I407 VanDerWaalsContact O-CG1 3.29Å; E403-I407 WeakPolarHBondContact O-CG1 3.31Å; E403-I407 PolarHBondContact O-N 3.44Å
404	C	56.5	Low	63.3	Low	77 Å²	77	109.5 Å²	109.5	52%	0.52	53%	0.526	S	S	.	.	H	α-helix	trans	-60.4	-39.7	177.9	-70.9	0	0	0	0	112.5	L400 K402 I407 M408	L400-C404 WeakPolarHBondContact O-CB 3.35Å; L400-C404 PolarHBondContact O-N 2.88Å; L400-C404 PolarHBondContact O-SG 3.12Å; K402-C404 PolarHBondContact O-N 3.5Å; C404-I407 PolarHBondContact O-N 2.95Å; C404-M408 WeakPolarHBondContact O-CB 3.44Å; C404-M408 WeakPolarHBondContact O-CG 3.34Å; C404-M408 PolarHBondContact O-N 3.35Å
405	R	62.9	Low	63.4	Low	154 Å²	154	106.5 Å²	106.5	58%	0.581	51%	0.512	S	S	*	.	H	α-helix	trans	-66.3	-41.3	176.7	-89.5	-173.8	-85.3	-146.7	-0.5	112.1	R401 K402 E403 M408 L409	R401-R405 WeakPolarHBondContact O-CB 3.26Å; R401-R405 PolarHBondContact O-NE 2.73Å; R401-R405 VanDerWaalsContact O-NE 3.13Å; K402-R405 PolarHBondContact O-N 2.75Å; E403-R405 VanDerWaalsContact C-N 3.32Å; E403-R405 PolarHBondContact O-N 2.87Å; R405-M408 PolarHBondContact O-N 2.86Å; R405-L409 PolarHBondContact O-N 2.86Å
406	T	68.4	Low	63.4	Low	76 Å²	76	109.3 Å²	109.3	47%	0.466	52%	0.515	S	S	.	.	H	α-helix	trans	-66	-42.5	177.4	-54	0	0	0	0	111.6	K402 E403 L409 K410	K402-T406 PolarHBondContact O-N 2.85Å; K402-T406 PolarHBondContact O-OG1 2.89Å; E403-T406 PolarHBondContact O-N 3.24Å; T406-L409 PolarHBondContact O-N 3.23Å; T406-K410 WeakPolarHBondContact O-CG 3.34Å; T406-K410 PolarHBondContact O-N 3.4Å; T406-K410 VanDerWaalsContact O-N 3.08Å
407	I	64.7	Low	64.3	Low	114 Å²	114	101.8 Å²	101.8	59%	0.585	50%	0.497	S	S	*	.	H	α-helix	trans	-62.5	-43.8	176.5	-66.9	166.4	0	0	0	110.4	E403 C404 K410 S411	E403-I407 VanDerWaalsContact O-CG1 3.29Å; E403-I407 WeakPolarHBondContact O-CG1 3.31Å; E403-I407 PolarHBondContact O-N 3.44Å; C404-I407 PolarHBondContact O-N 2.95Å; I407-K410 PolarHBondContact O-N 2.91Å; I407-S411 PolarHBondContact O-N 3.19Å
408	M	58.8	Low	65	Low	90 Å²	90	104 Å²	104	44%	0.443	50%	0.503	S	S	.	.	H	α-helix	trans	-62.1	-45.4	176.4	-87.6	-125.5	-79.8	0	0	113.9	I369 C404 R405 K410 S411 K412	I369-M408 HydrophobicContact CD1-CE 3.73Å; I369-M408 HydrophobicContact CD1-SD 3.31Å; I369-M408 WeakPolarHBondContact CD1-SD 3.2Å; I369-M408 HydrophobicContact CG1-CE 4.46Å; I369-M408 HydrophobicContact CG1-SD 4.35Å; C404-M408 WeakPolarHBondContact O-CB 3.44Å; C404-M408 WeakPolarHBondContact O-CG 3.34Å; C404-M408 PolarHBondContact O-N 3.35Å; R405-M408 PolarHBondContact O-N 2.86Å; M408-K410 VanDerWaalsContact C-N 3.28Å; M408-K410 PolarHBondContact O-N 3.02Å; M408-S411 PolarHBondContact O-N 2.96Å; M408-S411 PolarHBondContact O-OG 2.91Å; M408-K412 WeakPolarHBondContact O-CB 3.38Å; M408-K412 PolarHBondContact O-N 3.45Å
409	L	72	Confident	64.7	Low	129 Å²	129	99.8 Å²	99.8	68%	0.675	49%	0.486	S	S	*	.	H	α-helix	trans	-63.5	-36.8	177.7	-96.8	136	0	0	0	111.4	R405 T406 A413	R405-L409 PolarHBondContact O-N 2.86Å; T406-L409 PolarHBondContact O-N 3.23Å; L409-A413 WeakPolarHBondContact O-CB 3.43Å; L409-A413 PolarHBondContact O-N 3.3Å; L409-A413 VanDerWaalsContact O-N 3.15Å
410	K	69.9	Low	65.1	Low	144 Å²	144	100.5 Å²	100.5	63%	0.626	49%	0.487	S	S	*	.	H	α-helix	trans	-67.8	-44.7	175.2	-74.9	-175.9	-178.8	-175.3	0	112.7	T406 I407 M408 R414	T406-K410 WeakPolarHBondContact O-CG 3.34Å; T406-K410 PolarHBondContact O-N 3.4Å; T406-K410 VanDerWaalsContact O-N 3.08Å; I407-K410 PolarHBondContact O-N 2.91Å; M408-K410 VanDerWaalsContact C-N 3.28Å; M408-K410 PolarHBondContact O-N 3.02Å; K410-R414 PolarHBondContact O-N 3.47Å; K410-R414 VanDerWaalsContact O-N 3.16Å
411	S	62.6	Low	65.9	Low	34 Å²	34	102.5 Å²	102.5	24%	0.238	49%	0.494	C	S	.	.	H	α-helix	trans	-66.4	-45.2	179.4	73.8	0	0	0	0	111.4	I407 M408 A413 R414 H415	I407-S411 PolarHBondContact O-N 3.19Å; M408-S411 PolarHBondContact O-N 2.96Å; M408-S411 PolarHBondContact O-OG 2.91Å; S411-A413 VanDerWaalsContact C-N 3.33Å; S411-A413 PolarHBondContact O-N 3.46Å; S411-R414 WeakPolarHBondContact O-CB 3.35Å; S411-R414 PolarHBondContact O-N 2.9Å; S411-R414 VanDerWaalsContact O-N 3.09Å; S411-H415 PolarHBondContact O-CD2 3.3Å; S411-H415 PolarHBondContact O-N 3.44Å
412	K	66.4	Low	65.6	Low	119 Å²	119	100 Å²	100	52%	0.517	49%	0.489	S	S	.	.	H	α-helix	trans	-61.7	-39.3	179.7	-167.2	177.8	179.8	180	0	112.5	M408 M416	M408-K412 WeakPolarHBondContact O-CB 3.38Å; M408-K412 PolarHBondContact O-N 3.45Å; K412-M416 HydrophobicContact CG-CE 4.38Å; K412-M416 PolarHBondContact O-N 2.85Å; K412-M416 VanDerWaalsContact O-N 3.15Å
413	A	71.3	Confident	65.7	Low	60 Å²	60	97.2 Å²	97.2	50%	0.496	48%	0.478	S	S	.	.	H	α-helix	trans	-64.1	-41.4	174.2	0	0	0	0	0	112	L409 S411 M416 G417	L409-A413 WeakPolarHBondContact O-CB 3.43Å; L409-A413 PolarHBondContact O-N 3.3Å; L409-A413 VanDerWaalsContact O-N 3.15Å; S411-A413 VanDerWaalsContact C-N 3.33Å; S411-A413 PolarHBondContact O-N 3.46Å; A413-M416 PolarHBondContact O-N 3.44Å; A413-G417 PolarHBondContact O-N 3.41Å; A413-G417 VanDerWaalsContact O-N 3.11Å
414	R	64.4	Low	66.3	Low	175 Å²	175	94.7 Å²	94.7	66%	0.66	48%	0.476	S	S	*	.	H	α-helix	trans	-63.1	-45.8	178.6	-166.7	-171.5	-67.7	164.7	-6.1	112.3	K410 S411 G417 K418	K410-R414 PolarHBondContact O-N 3.47Å; K410-R414 VanDerWaalsContact O-N 3.16Å; S411-R414 WeakPolarHBondContact O-CB 3.35Å; S411-R414 PolarHBondContact O-N 2.9Å; S411-R414 VanDerWaalsContact O-N 3.09Å; R414-G417 PolarHBondContact O-N 2.85Å; R414-K418 PolarHBondContact O-N 2.95Å
415	H	58.8	Low	67	Low	38 Å²	38	95 Å²	95	18%	0.176	48%	0.476	C	S	.	.	H	α-helix	trans	-67.8	-40	179.1	-69.1	-71.7	0	0	0	112.4	S411 G417 K418 I419	S411-H415 PolarHBondContact O-CD2 3.3Å; S411-H415 PolarHBondContact O-N 3.44Å; H415-G417 VanDerWaalsContact C-N 3.32Å; H415-G417 PolarHBondContact O-N 2.78Å; H415-K418 PolarHBondContact O-N 2.98Å; H415-I419 VanDerWaalsContact O-CG1 3.29Å; H415-I419 WeakPolarHBondContact O-CG1 3.43Å; H415-I419 PolarHBondContact O-N 2.82Å; H415-I419 VanDerWaalsContact O-N 3.08Å
416	M	65.5	Low	67.1	Low	101 Å²	101	89.6 Å²	89.6	50%	0.498	46%	0.46	S	S	.	.	H	α-helix	trans	-63	-36.2	175.4	-97	-169.4	-58.6	0	0	113.2	K412 A413 K420	K412-M416 HydrophobicContact CG-CE 4.38Å; K412-M416 PolarHBondContact O-N 2.85Å; K412-M416 VanDerWaalsContact O-N 3.15Å; A413-M416 PolarHBondContact O-N 3.44Å; M416-K420 WeakPolarHBondContact O-CG 3.41Å; M416-K420 PolarHBondContact O-N 3.29Å
417	G	69.9	Low	67	Low	33 Å²	33	91.6 Å²	91.6	34%	0.34	46%	0.464	S	S	.	.	H	α-helix	trans	-61.4	-52.1	175.7	0	0	0	0	0	111.9	A413 R414 H415 I419 K420 E421	A413-G417 PolarHBondContact O-N 3.41Å; A413-G417 VanDerWaalsContact O-N 3.11Å; R414-G417 PolarHBondContact O-N 2.85Å; H415-G417 VanDerWaalsContact C-N 3.32Å; H415-G417 PolarHBondContact O-N 2.78Å; G417-I419 PolarHBondContact O-N 3.32Å; G417-K420 PolarHBondContact O-N 3.04Å; G417-E421 PolarHBondContact O-N 2.95Å; G417-E421 VanDerWaalsContact O-N 3.15Å
418	K	65.3	Low	67.4	Low	120 Å²	120	91 Å²	91	52%	0.522	46%	0.459	S	S	.	.	H	α-helix	trans	-60.2	-40.8	179	-90.3	178.5	172.2	-177.9	0	113.5	R414 H415 K420 E421 L422	R414-K418 PolarHBondContact O-N 2.95Å; H415-K418 PolarHBondContact O-N 2.98Å; K418-K420 VanDerWaalsContact C-N 3.32Å; K418-K420 PolarHBondContact O-N 3.28Å; K418-E421 PolarHBondContact O-N 2.91Å; K418-L422 WeakPolarHBondContact O-CG 3.33Å; K418-L422 PolarHBondContact O-N 3.35Å; K418-L422 VanDerWaalsContact O-N 3.07Å
419	I	63.8	Low	67.4	Low	33 Å²	33	88.6 Å²	88.6	17%	0.169	45%	0.447	C	S	.	.	H	α-helix	trans	-61.1	-43.2	178.6	-69.4	166.4	0	0	0	110.7	H415 G417 L422 E423	H415-I419 VanDerWaalsContact O-CG1 3.29Å; H415-I419 WeakPolarHBondContact O-CG1 3.43Å; H415-I419 PolarHBondContact O-N 2.82Å; H415-I419 VanDerWaalsContact O-N 3.08Å; G417-I419 PolarHBondContact O-N 3.32Å; I419-L422 PolarHBondContact O-N 3.3Å; I419-E423 WeakPolarHBondContact O-CG 3.11Å; I419-E423 PolarHBondContact O-N 3Å
420	K	75.6	Confident	67.2	Low	146 Å²	146	86 Å²	86	64%	0.635	44%	0.437	S	S	*	.	H	α-helix	trans	-67.2	-37.7	179.3	-72.4	-177.1	177.6	-173.9	0	113.2	M416 G417 K418 E423 A424	M416-K420 WeakPolarHBondContact O-CG 3.41Å; M416-K420 PolarHBondContact O-N 3.29Å; G417-K420 PolarHBondContact O-N 3.04Å; K418-K420 VanDerWaalsContact C-N 3.32Å; K418-K420 PolarHBondContact O-N 3.28Å; K420-E423 PolarHBondContact O-N 3.14Å; K420-A424 PolarHBondContact O-N 3.41Å
421	E	72.3	Confident	67.4	Low	134 Å²	134	83.6 Å²	83.6	63%	0.626	43%	0.427	S	S	*	.	H	α-helix	trans	-63.2	-45	175	-74.4	175	175.3	0	0	111.5	G417 K418 E423 A424 V425	G417-E421 PolarHBondContact O-N 2.95Å; G417-E421 VanDerWaalsContact O-N 3.15Å; K418-E421 PolarHBondContact O-N 2.91Å; E421-E423 PolarHBondContact O-N 3.32Å; E421-A424 PolarHBondContact O-N 3.34Å; E421-V425 WeakPolarHBondContact O-CG2 3.32Å; E421-V425 PolarHBondContact O-N 3.18Å; E421-V425 VanDerWaalsContact O-N 3.17Å
422	L	58.4	Low	67.6	Low	58 Å²	58	84.8 Å²	84.8	30%	0.304	43%	0.43	S	S	.	.	H	α-helix	trans	-64.2	-40.2	178.2	-71	172.7	0	0	0	112	K418 I419 A424 V425 V426	K418-L422 WeakPolarHBondContact O-CG 3.33Å; K418-L422 PolarHBondContact O-N 3.35Å; K418-L422 VanDerWaalsContact O-N 3.07Å; I419-L422 PolarHBondContact O-N 3.3Å; L422-A424 VanDerWaalsContact C-N 3.31Å; L422-A424 PolarHBondContact O-N 2.91Å; L422-V425 PolarHBondContact O-N 2.89Å; L422-V426 WeakPolarHBondContact O-CG2 3.39Å; L422-V426 PolarHBondContact O-N 3.22Å; L422-V426 VanDerWaalsContact O-N 3.07Å
423	E	71.9	Confident	67.3	Low	95 Å²	95	82 Å²	82	44%	0.444	42%	0.421	S	S	.	.	H	α-helix	trans	-60.9	-38	175.6	-75.6	175.8	172.5	0	0	112.4	I419 K420 E421 Q427	I419-E423 WeakPolarHBondContact O-CG 3.11Å; I419-E423 PolarHBondContact O-N 3Å; K420-E423 PolarHBondContact O-N 3.14Å; E421-E423 PolarHBondContact O-N 3.32Å; E423-Q427 WeakPolarHBondContact O-CG 3.5Å; E423-Q427 PolarHBondContact O-N 3.37Å
424	A	72.4	Confident	67.4	Low	58 Å²	58	82.5 Å²	82.5	48%	0.479	42%	0.42	S	S	.	.	H	α-helix	trans	-67.4	-41.4	176.8	0	0	0	0	0	112.5	K420 E421 L422 V426 Q427 Q428	K420-A424 PolarHBondContact O-N 3.41Å; E421-A424 PolarHBondContact O-N 3.34Å; L422-A424 VanDerWaalsContact C-N 3.31Å; L422-A424 PolarHBondContact O-N 2.91Å; A424-V426 PolarHBondContact O-N 3.02Å; A424-Q427 PolarHBondContact O-N 2.82Å; A424-Q428 PolarHBondContact O-N 3.38Å; A424-Q428 VanDerWaalsContact O-N 3.15Å
425	V	71.4	Confident	67.8	Low	84 Å²	84	79 Å²	79	51%	0.509	41%	0.414	S	S	.	.	H	α-helix	trans	-63.4	-41.6	177.3	173.8	0	0	0	0	111.3	E421 L422 Q427 Q428 L429	E421-V425 WeakPolarHBondContact O-CG2 3.32Å; E421-V425 PolarHBondContact O-N 3.18Å; E421-V425 VanDerWaalsContact O-N 3.17Å; L422-V425 PolarHBondContact O-N 2.89Å; V425-Q427 VanDerWaalsContact C-N 3.31Å; V425-Q427 PolarHBondContact O-N 3.09Å; V425-Q428 PolarHBondContact O-N 3.2Å; V425-L429 HydrophobicContact CG1-CD1 3.97Å; V425-L429 WeakPolarHBondContact O-CG 3.29Å; V425-L429 PolarHBondContact O-N 3.42Å
426	V	65	Low	67.5	Low	41 Å²	41	81.1 Å²	81.1	25%	0.248	42%	0.424	C	S	.	.	H	α-helix	trans	-62.2	-38.9	177.5	171.6	0	0	0	0	111.6	L348 L422 A424 T430	L348-V426 HydrophobicContact CD1-CG1 4.28Å; L348-V426 HydrophobicContact CG-CG1 4.35Å; L422-V426 WeakPolarHBondContact O-CG2 3.39Å; L422-V426 PolarHBondContact O-N 3.22Å; L422-V426 VanDerWaalsContact O-N 3.07Å; A424-V426 PolarHBondContact O-N 3.02Å; V426-T430 PolarHBondContact O-N 3.23Å; V426-T430 VanDerWaalsContact O-N 3.14Å; V426-T430 PolarHBondContact O-OG1 3.46Å
427	Q	67.7	Low	67.4	Low	117 Å²	117	79 Å²	79	55%	0.547	42%	0.419	S	S	.	.	H	α-helix	trans	-68.1	-36.6	177.6	-71.9	178	15	0	0	113.1	E423 A424 V425 T430 K431	E423-Q427 WeakPolarHBondContact O-CG 3.5Å; E423-Q427 PolarHBondContact O-N 3.37Å; A424-Q427 PolarHBondContact O-N 2.82Å; V425-Q427 VanDerWaalsContact C-N 3.31Å; V425-Q427 PolarHBondContact O-N 3.09Å; Q427-T430 VanDerWaalsContact CA-OG1 3.31Å; Q427-T430 WeakPolarHBondContact CA-OG1 3.13Å; Q427-T430 PolarHBondContact O-OG1 2.96Å; Q427-K431 PolarHBondContact O-N 3.2Å
428	Q	72.1	Confident	67.2	Low	102 Å²	102	79.5 Å²	79.5	48%	0.477	42%	0.42	S	S	.	.	H	α-helix	trans	-67.4	-46.2	175.7	-174.6	61.9	20.5	0	0	111	A424 V425 T430 K431 D432	A424-Q428 PolarHBondContact O-N 3.38Å; A424-Q428 VanDerWaalsContact O-N 3.15Å; V425-Q428 PolarHBondContact O-N 3.2Å; Q428-T430 VanDerWaalsContact C-N 3.27Å; Q428-T430 PolarHBondContact O-N 3.03Å; Q428-K431 PolarHBondContact O-N 3.47Å; Q428-D432 PolarHBondContact O-N 3.32Å
429	L	58.1	Low	67	Low	39 Å²	39	79.2 Å²	79.2	20%	0.204	42%	0.42	C	S	.	.	H	α-helix	trans	-62	-33.4	-180	-74	170.2	0	0	0	113.1	K344 V425 L433	K344-L429 HydrophobicContact CD-CD2 4.26Å; V425-L429 HydrophobicContact CG1-CD1 3.97Å; V425-L429 WeakPolarHBondContact O-CG 3.29Å; V425-L429 PolarHBondContact O-N 3.42Å; L429-L433 WeakPolarHBondContact O-CB 3.5Å; L429-L433 PolarHBondContact O-N 2.8Å; L429-L433 VanDerWaalsContact O-N 3.15Å
430	T	69	Low	66.5	Low	75 Å²	75	79.9 Å²	79.9	46%	0.46	42%	0.423	S	S	.	.	H	α-helix	trans	-70.8	-36.4	177.5	29.4	0	0	0	0	112.6	V426 Q427 Q428 S434	V426-T430 PolarHBondContact O-N 3.23Å; V426-T430 VanDerWaalsContact O-N 3.14Å; V426-T430 PolarHBondContact O-OG1 3.46Å; Q427-T430 VanDerWaalsContact CA-OG1 3.31Å; Q427-T430 WeakPolarHBondContact CA-OG1 3.13Å; Q427-T430 PolarHBondContact O-OG1 2.96Å; Q428-T430 VanDerWaalsContact C-N 3.27Å; Q428-T430 PolarHBondContact O-N 3.03Å; T430-S434 PolarHBondContact O-N 3.19Å
431	K	74.6	Confident	66	Low	94 Å²	94	80.6 Å²	80.6	41%	0.409	42%	0.421	S	S	.	.	H	α-helix	trans	-64.8	-47.6	173.8	-72.2	179	-178	176	0	111.6	Q427 Q428 L433 S434 I435	Q427-K431 PolarHBondContact O-N 3.2Å; Q428-K431 PolarHBondContact O-N 3.47Å; K431-L433 VanDerWaalsContact C-N 3.28Å; K431-L433 PolarHBondContact O-N 2.95Å; K431-S434 PolarHBondContact O-N 3.06Å; K431-S434 VanDerWaalsContact O-N 3.11Å; K431-S434 PolarHBondContact O-OG 2.92Å; K431-I435 PolarHBondContact O-N 3.02Å
432	D	66	Low	65.8	Low	59 Å²	59	79.3 Å²	79.3	32%	0.316	42%	0.419	S	S	.	.	H	α-helix	trans	-61.5	-37.3	179.9	-64.2	-16.1	0	0	0	112	Q428 S434 Q436	Q428-D432 PolarHBondContact O-N 3.32Å; D432-S434 VanDerWaalsContact C-N 3.31Å; D432-S434 PolarHBondContact O-N 3.33Å; D432-Q436 WeakPolarHBondContact O-CG 3.44Å; D432-Q436 PolarHBondContact O-N 3.14Å
433	L	60.3	Low	65.5	Low	61 Å²	61	79.3 Å²	79.3	32%	0.319	42%	0.421	S	S	.	.	H	α-helix	trans	-63.6	-36.7	177.2	-156.3	88.9	0	0	0	112	K344 L429 K431 S437	K344-L433 HydrophobicContact CD-CD1 4.04Å; L429-L433 WeakPolarHBondContact O-CB 3.5Å; L429-L433 PolarHBondContact O-N 2.8Å; L429-L433 VanDerWaalsContact O-N 3.15Å; K431-L433 VanDerWaalsContact C-N 3.28Å; K431-L433 PolarHBondContact O-N 2.95Å; L433-S437 WeakPolarHBondContact O-CB 3.42Å; L433-S437 PolarHBondContact O-N 3.17Å; L433-S437 VanDerWaalsContact O-N 3.11Å
434	S	72.9	Confident	65	Low	69 Å²	69	78.7 Å²	78.7	48%	0.483	42%	0.42	S	S	.	.	H	α-helix	trans	-68.5	-41.8	-178.4	75	0	0	0	0	112.7	T430 K431 D432 S437	T430-S434 PolarHBondContact O-N 3.19Å; K431-S434 PolarHBondContact O-N 3.06Å; K431-S434 VanDerWaalsContact O-N 3.11Å; K431-S434 PolarHBondContact O-OG 2.92Å; D432-S434 VanDerWaalsContact C-N 3.31Å; D432-S434 PolarHBondContact O-N 3.33Å; S434-S437 PolarHBondContact O-N 3.43Å; S434-S437 PolarHBondContact O-OG 2.89Å
435	I	72.5	Confident	64.9	Low	103 Å²	103	80.5 Å²	80.5	53%	0.528	43%	0.425	S	S	.	.	H	α-helix	trans	-67.1	-47.9	179.8	-62.8	170	0	0	0	109.9	K431 S437 A438	K431-I435 PolarHBondContact O-N 3.02Å; I435-S437 VanDerWaalsContact C-N 3.27Å; I435-S437 PolarHBondContact O-N 2.9Å; I435-A438 PolarHBondContact O-N 3Å; I435-A438 VanDerWaalsContact O-N 3.13Å
436	Q	52.6	Low	64.5	Low	82 Å²	82	81.4 Å²	81.4	38%	0.383	42%	0.424	S	S	.	.	H	α-helix	trans	-63.1	-33.7	179.2	-70.9	-175.3	-27.9	0	0	112.3	D432 A438 E439 H440	D432-Q436 WeakPolarHBondContact O-CG 3.44Å; D432-Q436 PolarHBondContact O-N 3.14Å; Q436-A438 VanDerWaalsContact C-N 3.25Å; Q436-A438 PolarHBondContact O-N 3.37Å; Q436-E439 PolarHBondContact O-N 3.03Å; Q436-H440 PolarHBondContact O-CD2 3.36Å; Q436-H440 PolarHBondContact O-N 3.31Å; Q436-H440 VanDerWaalsContact O-N 3.15Å
437	S	63	Low	64.2	Low	57 Å²	57	81.6 Å²	81.6	40%	0.399	42%	0.423	S	S	.	.	H	α-helix	trans	-65.6	-24.3	177.4	79	0	0	0	0	114.3	L433 S434 I435	L433-S437 WeakPolarHBondContact O-CB 3.42Å; L433-S437 PolarHBondContact O-N 3.17Å; L433-S437 VanDerWaalsContact O-N 3.11Å; S434-S437 PolarHBondContact O-N 3.43Å; S434-S437 PolarHBondContact O-OG 2.89Å; I435-S437 VanDerWaalsContact C-N 3.27Å; I435-S437 PolarHBondContact O-N 2.9Å
438	A	66.5	Low	64.2	Low	43 Å²	43	78 Å²	78	36%	0.355	42%	0.418	S	S	.	.	H	α-helix	trans	-77.4	-49.4	177	0	0	0	0	0	111.1	I435 Q436 H440 R441	I435-A438 PolarHBondContact O-N 3Å; I435-A438 VanDerWaalsContact O-N 3.13Å; Q436-A438 VanDerWaalsContact C-N 3.25Å; Q436-A438 PolarHBondContact O-N 3.37Å; A438-H440 PolarHBondContact O-N 2.61Å; A438-R441 PolarHBondContact O-N 2.87Å
439	E	61.2	Low	64.3	Low	114 Å²	114	76.9 Å²	76.9	53%	0.533	42%	0.421	S	S	.	.	H	α-helix	trans	-60.2	-33.2	177.4	-63.4	176.9	168.2	0	0	112.4	Q436 R441 D442 T443	Q436-E439 PolarHBondContact O-N 3.03Å; E439-R441 PolarHBondContact O-N 3.43Å; E439-D442 PolarHBondContact O-N 2.94Å; E439-T443 PolarHBondContact O-N 3.5Å; E439-T443 PolarHBondContact O-OG1 3.14Å
440	H	53.1	Low	64.5	Low	47 Å²	47	76.3 Å²	76.3	22%	0.218	42%	0.42	C	S	.	.	H	α-helix	trans	-64.5	-33.7	174.8	-79.6	-54.3	0	0	0	114	Q436 A438 D442 T443 I444 Y563	Q436-H440 PolarHBondContact O-CD2 3.36Å; Q436-H440 PolarHBondContact O-N 3.31Å; Q436-H440 VanDerWaalsContact O-N 3.15Å; A438-H440 PolarHBondContact O-N 2.61Å; H440-D442 VanDerWaalsContact C-N 3.33Å; H440-D442 PolarHBondContact O-N 3.02Å; H440-T443 PolarHBondContact O-N 2.88Å; H440-T443 PolarHBondContact O-OG1 3.45Å; H440-I444 WeakPolarHBondContact O-CD1 3.47Å; H440-I444 VanDerWaalsContact O-CG1 3.23Å; H440-I444 WeakPolarHBondContact O-CG1 3.47Å; H440-I444 PolarHBondContact O-N 3.34Å; H440-I444 VanDerWaalsContact O-N 3.14Å; H440-Y563 AromaticContact CE1-CE1 3.53Å; H440-Y563 AromaticContact CE1-CE2 3.81Å; H440-Y563 AromaticContact CE1-CZ 3.1Å; H440-Y563 PolarHBondContact CE1-OH 3.32Å; H440-Y563 AromaticContact ND1-CE2 3.97Å; H440-Y563 AromaticContact ND1-CZ 3.71Å; H440-Y563 PolarHBondContact ND1-OH 3.14Å; H440-Y563 AromaticContact NE2-CZ 3.89Å; H440-Y563 PolarHBondContact NE2-OH 3.2Å
441	R	65.3	Low	64.5	Low	160 Å²	160	76.5 Å²	76.5	60%	0.604	42%	0.416	S	S	*	.	H	α-helix	trans	-67.5	-35.4	179.6	-88.3	-179.6	-80.8	136.6	-7.1	112.1	A438 E439 T445	A438-R441 PolarHBondContact O-N 2.87Å; E439-R441 PolarHBondContact O-N 3.43Å; R441-T445 PolarHBondContact O-N 3.37Å; R441-T445 PolarHBondContact O-OG1 3.5Å
442	D	67.4	Low	64.2	Low	108 Å²	108	74.8 Å²	74.8	58%	0.578	42%	0.42	S	S	*	.	H	α-helix	trans	-74.6	-32.4	-180	-64.5	-17.1	0	0	0	112.5	E439 H440 T445 Q446	E439-D442 PolarHBondContact O-N 2.94Å; H440-D442 VanDerWaalsContact C-N 3.33Å; H440-D442 PolarHBondContact O-N 3.02Å; D442-T445 PolarHBondContact O-OG1 3.08Å; D442-Q446 PolarHBondContact O-N 3.45Å
443	T	52	Low	64.5	Low	58 Å²	58	78.2 Å²	78.2	36%	0.356	43%	0.432	S	S	.	.	H	α-helix	trans	-73.9	-36.6	175.4	50.5	0	0	0	0	112.3	E439 H440 T445 Q446 L447	E439-T443 PolarHBondContact O-N 3.5Å; E439-T443 PolarHBondContact O-OG1 3.14Å; H440-T443 PolarHBondContact O-N 2.88Å; H440-T443 PolarHBondContact O-OG1 3.45Å; T443-T445 VanDerWaalsContact C-N 3.3Å; T443-T445 PolarHBondContact O-N 3.2Å; T443-Q446 PolarHBondContact O-N 3.02Å; T443-L447 WeakPolarHBondContact O-CB 3.42Å; T443-L447 PolarHBondContact O-N 2.91Å
444	I	62.6	Low	64.7	Low	82 Å²	82	75.9 Å²	75.9	42%	0.421	42%	0.42	S	S	.	.	H	α-helix	trans	-61.5	-38.8	175.3	-70.1	166.2	0	0	0	111.1	I337 H440 L447 G448	I337-I444 HydrophobicContact CD1-CD1 4.12Å; H440-I444 WeakPolarHBondContact O-CD1 3.47Å; H440-I444 VanDerWaalsContact O-CG1 3.23Å; H440-I444 WeakPolarHBondContact O-CG1 3.47Å; H440-I444 PolarHBondContact O-N 3.34Å; H440-I444 VanDerWaalsContact O-N 3.14Å; I444-L447 PolarHBondContact O-N 3.29Å; I444-G448 PolarHBondContact O-N 2.9Å
445	T	69	Low	64.5	Low	95 Å²	95	76.4 Å²	76.4	58%	0.583	42%	0.417	S	S	*	.	H	α-helix	trans	-68.4	-38.5	178.3	51.7	0	0	0	0	112.5	R441 D442 T443 G448 S449	R441-T445 PolarHBondContact O-N 3.37Å; R441-T445 PolarHBondContact O-OG1 3.5Å; D442-T445 PolarHBondContact O-OG1 3.08Å; T443-T445 VanDerWaalsContact C-N 3.3Å; T443-T445 PolarHBondContact O-N 3.2Å; T445-G448 PolarHBondContact O-N 3.41Å; T445-S449 PolarHBondContact O-N 3.26Å
446	Q	64.2	Low	64.7	Low	104 Å²	104	77 Å²	77	49%	0.486	42%	0.418	S	S	.	.	H	α-helix	trans	-67.5	-36.5	173.7	-68.9	-179	0.7	0	0	113.2	D442 T443 S449 S450	D442-Q446 PolarHBondContact O-N 3.45Å; T443-Q446 PolarHBondContact O-N 3.02Å; Q446-S449 PolarHBondContact O-OG 3.48Å; Q446-S450 PolarHBondContact O-N 3.48Å; Q446-S450 PolarHBondContact O-OG 3.45Å
447	L	58.1	Low	65.3	Low	45 Å²	45	73.7 Å²	73.7	24%	0.236	40%	0.403	C	S	.	.	H	α-helix	trans	-70.6	-36.4	177.7	-138.8	133.4	0	0	0	111	T443 I444 S450 Q451	T443-L447 WeakPolarHBondContact O-CB 3.42Å; T443-L447 PolarHBondContact O-N 2.91Å; I444-L447 PolarHBondContact O-N 3.29Å; L447-S450 PolarHBondContact O-N 3.17Å; L447-Q451 WeakPolarHBondContact O-CB 3.29Å; L447-Q451 PolarHBondContact O-N 2.95Å
448	G	67.2	Low	65.5	Low	42 Å²	42	73.1 Å²	73.1	43%	0.433	40%	0.397	S	S	.	.	H	α-helix	trans	-62.4	-43	174.5	0	0	0	0	0	113.5	I444 T445 A452	I444-G448 PolarHBondContact O-N 2.9Å; T445-G448 PolarHBondContact O-N 3.41Å; G448-A452 PolarHBondContact O-N 3.45Å; G448-A452 VanDerWaalsContact O-N 3.1Å
449	S	74.2	Confident	66	Low	77 Å²	77	75.3 Å²	75.3	54%	0.538	40%	0.403	S	S	.	.	H	α-helix	trans	-68.6	-37.2	177.5	62	0	0	0	0	112.7	T445 Q446 K453	T445-S449 PolarHBondContact O-N 3.26Å; Q446-S449 PolarHBondContact O-OG 3.48Å; S449-K453 PolarHBondContact O-N 3.27Å
450	S	63.8	Low	66.6	Low	27 Å²	27	73.4 Å²	73.4	19%	0.189	39%	0.394	C	S	.	.	H	α-helix	trans	-68.7	-40.6	176.8	-56.1	0	0	0	0	111.8	Q446 L447 K453 V454	Q446-S450 PolarHBondContact O-N 3.48Å; Q446-S450 PolarHBondContact O-OG 3.45Å; L447-S450 PolarHBondContact O-N 3.17Å; S450-K453 WeakPolarHBondContact O-CB 3.5Å; S450-K453 PolarHBondContact O-N 3.12Å; S450-V454 PolarHBondContact O-N 3.44Å
451	Q	67.7	Low	67.5	Low	79 Å²	79	76.9 Å²	76.9	37%	0.369	41%	0.405	S	S	.	.	H	α-helix	trans	-64.2	-42.5	176.7	-167.4	70.4	31.1	0	0	111.9	L447 K453 V454 D455	L447-Q451 WeakPolarHBondContact O-CB 3.29Å; L447-Q451 PolarHBondContact O-N 2.95Å; Q451-K453 PolarHBondContact O-N 3.39Å; Q451-V454 WeakPolarHBondContact O-CB 3.24Å; Q451-V454 PolarHBondContact O-N 3.2Å; Q451-V454 VanDerWaalsContact O-N 3.08Å; Q451-D455 PolarHBondContact O-N 3.35Å
452	A	69.4	Low	67.7	Low	59 Å²	59	75.4 Å²	75.4	49%	0.488	40%	0.403	S	S	.	.	H	α-helix	trans	-58.4	-33.3	176.1	0	0	0	0	0	112.4	G448 Q456	G448-A452 PolarHBondContact O-N 3.45Å; G448-A452 VanDerWaalsContact O-N 3.1Å; A452-Q456 PolarHBondContact O-N 2.85Å; A452-Q456 VanDerWaalsContact O-N 3.12Å
453	K	71.2	Confident	68.1	Low	130 Å²	130	74.9 Å²	74.9	57%	0.565	40%	0.4	S	S	*	.	H	α-helix	trans	-71.9	-37.2	176.6	-160.3	165.3	-175.3	179.1	0	112.6	S449 S450 Q451 L457	S449-K453 PolarHBondContact O-N 3.27Å; S450-K453 WeakPolarHBondContact O-CB 3.5Å; S450-K453 PolarHBondContact O-N 3.12Å; Q451-K453 PolarHBondContact O-N 3.39Å; K453-L457 WeakPolarHBondContact O-CG 3.48Å; K453-L457 PolarHBondContact O-N 2.61Å
454	V	64.1	Low	68.7	Low	12 Å²	12	73.2 Å²	73.2	7%	0.073	39%	0.389	C	S	.	.	H	α-helix	trans	-64.3	-47.1	172.9	173.2	0	0	0	0	110.4	S450 Q451 Q456 L457 T458 L549 I556	S450-V454 PolarHBondContact O-N 3.44Å; Q451-V454 WeakPolarHBondContact O-CB 3.24Å; Q451-V454 PolarHBondContact O-N 3.2Å; Q451-V454 VanDerWaalsContact O-N 3.08Å; V454-Q456 VanDerWaalsContact C-N 3.27Å; V454-Q456 PolarHBondContact O-N 3.17Å; V454-L457 PolarHBondContact O-N 3.23Å; V454-L457 VanDerWaalsContact O-N 3.09Å; V454-T458 HydrophobicContact CG1-CG2 4.25Å; V454-T458 WeakPolarHBondContact O-CG2 3.17Å; V454-T458 PolarHBondContact O-N 2.88Å; V454-T458 PolarHBondContact O-OG1 3.31Å; V454-L549 HydrophobicContact CG1-CD1 4.16Å; V454-I556 HydrophobicContact CG2-CD1 3.72Å
455	D	69.4	Low	68.9	Low	81 Å²	81	72.7 Å²	72.7	43%	0.433	39%	0.387	S	S	.	.	H	α-helix	trans	-59.9	-40.2	-179.9	-65.1	-23.4	0	0	0	111	Q451 T458 N459	Q451-D455 PolarHBondContact O-N 3.35Å; D455-T458 WeakPolarHBondContact CA-OG1 3.4Å; D455-T458 PolarHBondContact O-N 2.86Å; D455-T458 PolarHBondContact O-OG1 3.01Å; D455-N459 PolarHBondContact O-N 2.8Å; D455-N459 VanDerWaalsContact O-N 3.14Å
456	Q	77.1	Confident	69.1	Low	114 Å²	114	75 Å²	75	53%	0.533	39%	0.391	S	S	.	.	H	α-helix	trans	-59	-48.3	173.1	-172.9	-179.7	-2.5	0	0	112.5	A452 V454 T458 N459 E460	A452-Q456 PolarHBondContact O-N 2.85Å; A452-Q456 VanDerWaalsContact O-N 3.12Å; V454-Q456 VanDerWaalsContact C-N 3.27Å; V454-Q456 PolarHBondContact O-N 3.17Å; Q456-T458 VanDerWaalsContact C-N 3.33Å; Q456-T458 PolarHBondContact O-N 2.8Å; Q456-N459 PolarHBondContact O-N 3.33Å; Q456-E460 PolarHBondContact O-N 2.93Å; Q456-E460 VanDerWaalsContact O-N 3.13Å
457	L	65.6	Low	69.5	Low	13 Å²	13	75 Å²	75	7%	0.068	39%	0.391	C	S	.	.	H	α-helix	trans	-65.4	-35	179.1	-68.6	172.8	0	0	0	112.4	K453 V454 N459 E460 R461 L545 L549	K453-L457 WeakPolarHBondContact O-CG 3.48Å; K453-L457 PolarHBondContact O-N 2.61Å; V454-L457 PolarHBondContact O-N 3.23Å; V454-L457 VanDerWaalsContact O-N 3.09Å; L457-N459 VanDerWaalsContact C-N 3.32Å; L457-N459 PolarHBondContact O-N 3.28Å; L457-E460 PolarHBondContact O-N 2.9Å; L457-R461 PolarHBondContact O-N 3.24Å; L457-R461 VanDerWaalsContact O-N 3.08Å; L457-L545 HydrophobicContact CD2-CD2 4.01Å; L457-L549 HydrophobicContact CB-CD1 3.92Å; L457-L549 HydrophobicContact CD1-CD1 4.28Å
458	T	66.9	Low	69.9	Low	46 Å²	46	75.2 Å²	75.2	28%	0.282	39%	0.392	S	S	.	.	H	α-helix	trans	-68.6	-31.4	177.1	61	0	0	0	0	113	V454 D455 Q456 K462 L549	V454-T458 HydrophobicContact CG1-CG2 4.25Å; V454-T458 WeakPolarHBondContact O-CG2 3.17Å; V454-T458 PolarHBondContact O-N 2.88Å; V454-T458 PolarHBondContact O-OG1 3.31Å; D455-T458 WeakPolarHBondContact CA-OG1 3.4Å; D455-T458 PolarHBondContact O-N 2.86Å; D455-T458 PolarHBondContact O-OG1 3.01Å; Q456-T458 VanDerWaalsContact C-N 3.33Å; Q456-T458 PolarHBondContact O-N 2.8Å; T458-K462 PolarHBondContact O-N 2.89Å; T458-L549 HydrophobicContact CG2-CD1 4.29Å
459	N	76.2	Confident	70.2	Confident	89 Å²	89	78.5 Å²	78.5	48%	0.476	40%	0.399	S	S	.	.	H	α-helix	trans	-72.7	-44.5	174.4	-70.9	-21.5	0	0	0	111.2	D455 Q456 L457 R461 K462 D463	D455-N459 PolarHBondContact O-N 2.8Å; D455-N459 VanDerWaalsContact O-N 3.14Å; Q456-N459 PolarHBondContact O-N 3.33Å; L457-N459 VanDerWaalsContact C-N 3.32Å; L457-N459 PolarHBondContact O-N 3.28Å; N459-R461 PolarHBondContact O-N 2.98Å; N459-K462 PolarHBondContact O-N 2.77Å; N459-D463 PolarHBondContact O-N 3Å; N459-D463 VanDerWaalsContact O-N 3.08Å
460	E	73.5	Confident	70	Confident	74 Å²	74	76.5 Å²	76.5	35%	0.346	39%	0.391	S	S	.	.	H	α-helix	trans	-56.1	-36.6	173.8	-72	178	-172.4	0	0	112	Q456 L457 L464	Q456-E460 PolarHBondContact O-N 2.93Å; Q456-E460 VanDerWaalsContact O-N 3.13Å; L457-E460 PolarHBondContact O-N 2.9Å; E460-L464 WeakPolarHBondContact O-CG 3.49Å; E460-L464 PolarHBondContact O-N 3.2Å
461	R	73.1	Confident	70	Confident	120 Å²	120	81.1 Å²	81.1	45%	0.453	41%	0.405	S	S	.	.	H	α-helix	trans	-64.7	-43.1	174.3	-179.7	-175.7	173.7	-153.6	0.3	112.8	L457 N459 L464 L465	L457-R461 PolarHBondContact O-N 3.24Å; L457-R461 VanDerWaalsContact O-N 3.08Å; N459-R461 PolarHBondContact O-N 2.98Å; R461-L464 PolarHBondContact O-N 2.88Å; R461-L465 HydrophobicContact CG-CD1 4.17Å; R461-L465 WeakPolarHBondContact O-CG 3.49Å; R461-L465 PolarHBondContact O-N 2.89Å; R461-L465 VanDerWaalsContact O-N 3.11Å
462	K	69.2	Low	69.9	Low	129 Å²	129	80.9 Å²	80.9	56%	0.561	41%	0.409	S	S	*	.	H	α-helix	trans	-63.8	-44.2	179.6	-76.1	179	-180	174.1	0	111.1	T458 N459 L464 L465 E466	T458-K462 PolarHBondContact O-N 2.89Å; N459-K462 PolarHBondContact O-N 2.77Å; K462-L464 VanDerWaalsContact C-N 3.3Å; K462-L464 PolarHBondContact O-N 2.96Å; K462-L465 PolarHBondContact O-N 3.01Å; K462-L465 VanDerWaalsContact O-N 3.14Å; K462-E466 PolarHBondContact O-N 2.83Å
463	D	74.8	Confident	69.8	Low	96 Å²	96	81 Å²	81	51%	0.513	41%	0.411	S	S	.	.	H	α-helix	trans	-61.1	-38.8	179.1	-66.7	-6.8	0	0	0	111.9	N459 Q467	N459-D463 PolarHBondContact O-N 3Å; N459-D463 VanDerWaalsContact O-N 3.08Å; D463-Q467 WeakPolarHBondContact O-CG 3.12Å; D463-Q467 PolarHBondContact O-N 3.49Å
464	L	65	Low	69.6	Low	24 Å²	24	80.6 Å²	80.6	13%	0.126	41%	0.41	C	S	.	.	H	α-helix	trans	-69.3	-36.4	176	-73.4	173	0	0	0	113	E460 R461 K462 Q467 I468 L542 L545	E460-L464 WeakPolarHBondContact O-CG 3.49Å; E460-L464 PolarHBondContact O-N 3.2Å; R461-L464 PolarHBondContact O-N 2.88Å; K462-L464 VanDerWaalsContact C-N 3.3Å; K462-L464 PolarHBondContact O-N 2.96Å; L464-Q467 PolarHBondContact O-N 3.36Å; L464-I468 WeakPolarHBondContact O-CG1 3.4Å; L464-I468 PolarHBondContact O-N 2.94Å; L464-L542 HydrophobicContact CD1-CD2 4.39Å; L464-L545 HydrophobicContact CD1-CD1 3.57Å
465	L	67.6	Low	69.2	Low	71 Å²	71	83.5 Å²	83.5	37%	0.372	42%	0.424	S	S	.	.	H	α-helix	trans	-66.9	-41.9	176.7	-75.7	168.1	0	0	0	111.6	R461 K462 Q467 I468 D469	R461-L465 HydrophobicContact CG-CD1 4.17Å; R461-L465 WeakPolarHBondContact O-CG 3.49Å; R461-L465 PolarHBondContact O-N 2.89Å; R461-L465 VanDerWaalsContact O-N 3.11Å; K462-L465 PolarHBondContact O-N 3.01Å; K462-L465 VanDerWaalsContact O-N 3.14Å; L465-Q467 VanDerWaalsContact C-N 3.29Å; L465-Q467 PolarHBondContact O-N 3Å; L465-I468 WeakPolarHBondContact O-CB 3.29Å; L465-I468 PolarHBondContact O-N 2.94Å; L465-I468 VanDerWaalsContact O-N 3.1Å; L465-D469 PolarHBondContact O-N 2.67Å
466	E	73.2	Confident	69	Low	142 Å²	142	83.4 Å²	83.4	66%	0.664	42%	0.424	S	S	*	.	H	α-helix	trans	-62.1	-36.6	175.6	-73.1	-175.4	179.7	0	0	112.3	K462 I468 D469 G470	K462-E466 PolarHBondContact O-N 2.83Å; E466-I468 VanDerWaalsContact C-N 3.34Å; E466-I468 PolarHBondContact O-N 3.24Å; E466-D469 PolarHBondContact O-N 3.41Å; E466-G470 PolarHBondContact O-N 3.31Å; E466-G470 VanDerWaalsContact O-N 3.13Å
467	Q	72.4	Confident	68.5	Low	104 Å²	104	81.7 Å²	81.7	49%	0.486	42%	0.424	S	S	.	.	H	α-helix	trans	-63.1	-39.6	173.3	-72.6	177.2	21.2	0	0	112	D463 L464 L465 G470 Y471	D463-Q467 WeakPolarHBondContact O-CG 3.12Å; D463-Q467 PolarHBondContact O-N 3.49Å; L464-Q467 PolarHBondContact O-N 3.36Å; L465-Q467 VanDerWaalsContact C-N 3.29Å; L465-Q467 PolarHBondContact O-N 3Å; Q467-G470 PolarHBondContact O-N 2.86Å; Q467-Y471 WeakPolarHBondContact O-CD2 3.49Å; Q467-Y471 PolarHBondContact O-N 3.47Å
468	I	67.2	Low	68.2	Low	51 Å²	51	84.8 Å²	84.8	26%	0.262	44%	0.44	S	S	.	.	H	α-helix	trans	-64	-45.7	177.4	-68.7	166.9	0	0	0	110.8	L464 L465 E466 G470 Y471 V472 M538 L542	L464-I468 WeakPolarHBondContact O-CG1 3.4Å; L464-I468 PolarHBondContact O-N 2.94Å; L465-I468 WeakPolarHBondContact O-CB 3.29Å; L465-I468 PolarHBondContact O-N 2.94Å; L465-I468 VanDerWaalsContact O-N 3.1Å; E466-I468 VanDerWaalsContact C-N 3.34Å; E466-I468 PolarHBondContact O-N 3.24Å; I468-G470 VanDerWaalsContact C-N 3.26Å; I468-G470 PolarHBondContact O-N 3.35Å; I468-Y471 PolarHBondContact O-N 2.87Å; I468-Y471 VanDerWaalsContact O-N 3.13Å; I468-V472 HydrophobicContact CG2-CG2 4.44Å; I468-V472 WeakPolarHBondContact O-CG2 3.47Å; I468-V472 PolarHBondContact O-N 3.27Å; I468-M538 HydrophobicContact CG1-SD 4.33Å; I468-L542 HydrophobicContact CD1-CD1 3.87Å
469	D	71.8	Confident	68.1	Low	110 Å²	110	88.4 Å²	88.4	59%	0.588	45%	0.452	S	S	*	.	H	α-helix	trans	-61	-37	178.9	-72.6	-19.7	0	0	0	111.7	L465 E466 V472 A473	L465-D469 PolarHBondContact O-N 2.67Å; E466-D469 PolarHBondContact O-N 3.41Å; D469-V472 PolarHBondContact O-N 2.95Å; D469-A473 PolarHBondContact O-N 3.35Å
470	G	71.7	Confident	67.5	Low	36 Å²	36	89.2 Å²	89.2	37%	0.371	46%	0.457	S	S	.	.	H	α-helix	trans	-60.8	-42.5	173.2	0	0	0	0	0	113.8	E466 Q467 I468 A473 Q474	E466-G470 PolarHBondContact O-N 3.31Å; E466-G470 VanDerWaalsContact O-N 3.13Å; Q467-G470 PolarHBondContact O-N 2.86Å; I468-G470 VanDerWaalsContact C-N 3.26Å; I468-G470 PolarHBondContact O-N 3.35Å; G470-A473 PolarHBondContact O-N 2.8Å; G470-Q474 PolarHBondContact O-N 2.9Å
471	Y	62.4	Low	67.1	Low	123 Å²	123	88.3 Å²	88.3	48%	0.482	46%	0.458	S	S	.	.	H	α-helix	trans	-70.5	-35	176.7	-73.5	-66.5	0	0	0	112.7	Q467 I468 A473 Q474 M475 M538	Q467-Y471 WeakPolarHBondContact O-CD2 3.49Å; Q467-Y471 PolarHBondContact O-N 3.47Å; I468-Y471 PolarHBondContact O-N 2.87Å; I468-Y471 VanDerWaalsContact O-N 3.13Å; Y471-A473 VanDerWaalsContact C-N 3.33Å; Y471-A473 PolarHBondContact O-N 2.88Å; Y471-Q474 PolarHBondContact O-N 3.39Å; Y471-M475 PolarHBondContact O-N 3.28Å; Y471-M475 VanDerWaalsContact O-N 3.1Å; Y471-M538 HydrophobicContact CD2-CE 4.39Å; Y471-M538 HydrophobicContact CE2-CE 4.32Å
472	V	67.1	Low	66.5	Low	74 Å²	74	87 Å²	87	45%	0.448	46%	0.46	S	S	.	.	H	α-helix	trans	-63.1	-41	174.7	174.2	0	0	0	0	110.7	I468 D469 Q474 M475 D476	I468-V472 HydrophobicContact CG2-CG2 4.44Å; I468-V472 WeakPolarHBondContact O-CG2 3.47Å; I468-V472 PolarHBondContact O-N 3.27Å; D469-V472 PolarHBondContact O-N 2.95Å; V472-Q474 VanDerWaalsContact C-N 3.33Å; V472-Q474 PolarHBondContact O-N 3.05Å; V472-M475 WeakPolarHBondContact O-CB 3.4Å; V472-M475 PolarHBondContact O-N 3.22Å; V472-M475 VanDerWaalsContact O-N 3.16Å; V472-D476 PolarHBondContact O-N 2.98Å
473	A	66.3	Low	66.2	Low	63 Å²	63	84.5 Å²	84.5	52%	0.521	46%	0.455	S	S	.	.	H	α-helix	trans	-62.7	-37.6	175.6	0	0	0	0	0	112.9	D469 G470 Y471 M475 D476 S477	D469-A473 PolarHBondContact O-N 3.35Å; G470-A473 PolarHBondContact O-N 2.8Å; Y471-A473 VanDerWaalsContact C-N 3.33Å; Y471-A473 PolarHBondContact O-N 2.88Å; A473-M475 VanDerWaalsContact C-N 3.33Å; A473-D476 PolarHBondContact O-N 2.99Å; A473-S477 PolarHBondContact O-N 2.79Å; A473-S477 VanDerWaalsContact O-N 3.13Å
474	Q	66.9	Low	65.8	Low	120 Å²	120	82.5 Å²	82.5	56%	0.561	45%	0.452	S	S	*	.	H	α-helix	trans	-65.4	-36.1	174.5	-69	178.6	4.9	0	0	112.2	G470 Y471 V472 S477 L478	G470-Q474 PolarHBondContact O-N 2.9Å; Y471-Q474 PolarHBondContact O-N 3.39Å; V472-Q474 VanDerWaalsContact C-N 3.33Å; V472-Q474 PolarHBondContact O-N 3.05Å; Q474-S477 WeakPolarHBondContact O-CB 3.28Å; Q474-L478 WeakPolarHBondContact O-CG 3.41Å; Q474-L478 PolarHBondContact O-N 3.41Å; Q474-L478 VanDerWaalsContact O-N 3.12Å
475	M	55.6	Low	65.3	Low	73 Å²	73	84.8 Å²	84.8	36%	0.36	47%	0.47	S	S	.	.	H	α-helix	trans	-65.1	-42.5	174.9	-84.9	-76.5	-60.5	0	0	112.8	Y471 V472 A473 S477 L478 K479 I531	Y471-M475 PolarHBondContact O-N 3.28Å; Y471-M475 VanDerWaalsContact O-N 3.1Å; V472-M475 WeakPolarHBondContact O-CB 3.4Å; V472-M475 PolarHBondContact O-N 3.22Å; V472-M475 VanDerWaalsContact O-N 3.16Å; A473-M475 VanDerWaalsContact C-N 3.33Å; M475-S477 VanDerWaalsContact C-N 3.35Å; M475-L478 PolarHBondContact O-N 2.81Å; M475-K479 PolarHBondContact O-N 2.8Å; M475-I531 HydrophobicContact SD-CD1 4.05Å
476	D	65.6	Low	64.9	Low	80 Å²	80	86.1 Å²	86.1	43%	0.428	47%	0.474	S	S	.	.	H	α-helix	trans	-68.4	-36.3	178.8	-73.6	-23.3	0	0	0	111.7	V472 A473 K479 N480	V472-D476 PolarHBondContact O-N 2.98Å; A473-D476 PolarHBondContact O-N 2.99Å; D476-K479 PolarHBondContact O-N 2.79Å; D476-N480 WeakPolarHBondContact O-CB 3.49Å; D476-N480 PolarHBondContact O-N 2.99Å; D476-N480 PolarHBondContact O-ND2 2.77Å
477	S	66.8	Low	64.5	Low	78 Å²	78	82.2 Å²	82.2	55%	0.545	47%	0.466	S	S	.	.	H	α-helix	trans	-57.2	-48.2	169.7	165.6	0	0	0	0	112.3	A473 Q474 M475 N480 S481	A473-S477 PolarHBondContact O-N 2.79Å; A473-S477 VanDerWaalsContact O-N 3.13Å; Q474-S477 WeakPolarHBondContact O-CB 3.28Å; M475-S477 VanDerWaalsContact C-N 3.35Å; S477-N480 PolarHBondContact O-N 2.84Å; S477-S481 PolarHBondContact O-N 3.29Å
478	L	59.6	Low	64	Low	77 Å²	77	83.2 Å²	83.2	40%	0.403	47%	0.471	S	S	.	.	H	α-helix	trans	-68.2	-35.6	178.8	-72.8	168.9	0	0	0	112.9	Q474 M475 S481 L482	Q474-L478 WeakPolarHBondContact O-CG 3.41Å; Q474-L478 PolarHBondContact O-N 3.41Å; Q474-L478 VanDerWaalsContact O-N 3.12Å; M475-L478 PolarHBondContact O-N 2.81Å; L478-S481 PolarHBondContact O-OG 2.79Å; L478-L482 WeakPolarHBondContact O-CB 3.28Å; L478-L482 PolarHBondContact O-N 3.46Å
479	K	63.5	Low	63.5	Low	123 Å²	123	85.6 Å²	85.6	54%	0.535	48%	0.479	S	S	.	.	H	α-helix	trans	-63.3	-44	171.7	-88	-179.4	177.3	172.6	0	111.4	M475 D476 S481 L482 T483	M475-K479 PolarHBondContact O-N 2.8Å; D476-K479 PolarHBondContact O-N 2.79Å; K479-S481 PolarHBondContact O-N 2.91Å; K479-L482 PolarHBondContact O-N 2.8Å; K479-T483 WeakPolarHBondContact O-CG2 3.21Å; K479-T483 PolarHBondContact O-N 2.85Å; K479-T483 PolarHBondContact O-OG1 2.74Å
480	N	65.1	Low	63.1	Low	106 Å²	106	85 Å²	85	57%	0.567	48%	0.476	S	S	*	.	H	α-helix	trans	-63.1	-42.7	-179.9	-69.7	-20.6	0	0	0	111.3	D476 S477 L482 T483 A484	D476-N480 WeakPolarHBondContact O-CB 3.49Å; D476-N480 PolarHBondContact O-N 2.99Å; D476-N480 PolarHBondContact O-ND2 2.77Å; S477-N480 PolarHBondContact O-N 2.84Å; N480-L482 PolarHBondContact O-N 3.34Å; N480-T483 WeakPolarHBondContact CA-OG1 3.43Å; N480-T483 PolarHBondContact O-N 3.5Å; N480-T483 PolarHBondContact O-OG1 3.23Å; N480-A484 PolarHBondContact O-N 2.97Å
481	S	63.4	Low	62.7	Low	54 Å²	54	89.6 Å²	89.6	38%	0.378	49%	0.487	S	S	.	.	H	α-helix	trans	-64.9	-37.2	175.2	66	0	0	0	0	112.6	S477 L478 K479 A484 C485	S477-S481 PolarHBondContact O-N 3.29Å; L478-S481 PolarHBondContact O-OG 2.79Å; K479-S481 PolarHBondContact O-N 2.91Å; S481-A484 PolarHBondContact O-N 3.33Å; S481-C485 PolarHBondContact O-N 3.32Å
482	L	61.1	Low	62.3	Low	93 Å²	93	88.2 Å²	88.2	49%	0.487	49%	0.488	S	S	.	.	H	α-helix	trans	-64.3	-42.4	173.8	-174	67.7	0	0	0	112.3	L478 K479 N480 A484 C485 Q486	L478-L482 WeakPolarHBondContact O-CB 3.28Å; L478-L482 PolarHBondContact O-N 3.46Å; K479-L482 PolarHBondContact O-N 2.8Å; N480-L482 PolarHBondContact O-N 3.34Å; L482-A484 VanDerWaalsContact C-N 3.33Å; L482-A484 PolarHBondContact O-N 3.4Å; L482-C485 PolarHBondContact O-N 2.82Å; L482-Q486 WeakPolarHBondContact O-CG 3.37Å; L482-Q486 PolarHBondContact O-N 3.49Å
483	T	63.7	Low	61.9	Low	76 Å²	76	88 Å²	88	47%	0.466	49%	0.49	S	S	.	.	H	α-helix	trans	-65.9	-35	176.9	57.2	0	0	0	0	112.3	K479 N480 Q486 A487	K479-T483 WeakPolarHBondContact O-CG2 3.21Å; K479-T483 PolarHBondContact O-N 2.85Å; K479-T483 PolarHBondContact O-OG1 2.74Å; N480-T483 WeakPolarHBondContact CA-OG1 3.43Å; N480-T483 PolarHBondContact O-N 3.5Å; N480-T483 PolarHBondContact O-OG1 3.23Å; T483-Q486 PolarHBondContact O-N 2.79Å; T483-A487 PolarHBondContact O-N 2.99Å
484	A	66.1	Low	61.6	Low	54 Å²	54	92.2 Å²	92.2	45%	0.446	50%	0.496	S	S	.	.	H	α-helix	trans	-64.4	-46.4	173.5	0	0	0	0	0	111.5	N480 S481 L482 Q486 A487 E488	N480-A484 PolarHBondContact O-N 2.97Å; S481-A484 PolarHBondContact O-N 3.33Å; L482-A484 VanDerWaalsContact C-N 3.33Å; L482-A484 PolarHBondContact O-N 3.4Å; A484-Q486 VanDerWaalsContact C-N 3.28Å; A484-Q486 PolarHBondContact O-N 2.96Å; A484-A487 PolarHBondContact O-N 3.39Å; A484-E488 PolarHBondContact O-N 3.06Å
485	C	55.2	Low	61.2	Low	73 Å²	73	90.1 Å²	90.1	49%	0.493	49%	0.491	S	S	.	.	H	α-helix	trans	-61.5	-34.1	174.6	-76.8	0	0	0	0	113	S481 L482 K489	S481-C485 PolarHBondContact O-N 3.32Å; L482-C485 PolarHBondContact O-N 2.82Å; C485-K489 PolarHBondContact O-N 3.48Å
486	Q	59.2	Low	60.9	Low	99 Å²	99	90.1 Å²	90.1	46%	0.463	49%	0.493	S	S	.	.	H	α-helix	trans	-68.8	-42.7	174	-77.5	173.2	-19.8	0	0	111.7	L482 T483 A484 E488 K489 D490	L482-Q486 WeakPolarHBondContact O-CG 3.37Å; L482-Q486 PolarHBondContact O-N 3.49Å; T483-Q486 PolarHBondContact O-N 2.79Å; A484-Q486 VanDerWaalsContact C-N 3.28Å; A484-Q486 PolarHBondContact O-N 2.96Å; Q486-E488 PolarHBondContact O-N 3.49Å; Q486-K489 WeakPolarHBondContact O-CB 3.39Å; Q486-K489 PolarHBondContact O-N 3.48Å; Q486-D490 PolarHBondContact O-N 3.36Å
487	A	63.8	Low	60.5	Low	60 Å²	60	90.8 Å²	90.8	50%	0.496	50%	0.504	S	S	.	.	H	α-helix	trans	-63.1	-41.5	177.6	0	0	0	0	0	112.3	T483 A484 K489 D490 H491	T483-A487 PolarHBondContact O-N 2.99Å; A484-A487 PolarHBondContact O-N 3.39Å; A487-K489 VanDerWaalsContact C-N 3.33Å; A487-K489 PolarHBondContact O-N 3.46Å; A487-D490 PolarHBondContact O-N 3.45Å; A487-H491 PolarHBondContact O-N 3.2Å
488	E	62.4	Low	60	Low	125 Å²	125	93.9 Å²	93.9	58%	0.584	51%	0.514	S	S	*	.	H	α-helix	trans	-62.8	-39.3	175	-76.1	-174.8	164.9	0	0	112.2	A484 Q486 H491 L492	A484-E488 PolarHBondContact O-N 3.06Å; Q486-E488 PolarHBondContact O-N 3.49Å; E488-H491 PolarHBondContact O-N 3.25Å; E488-L492 PolarHBondContact O-N 3.13Å
489	K	56.7	Low	59.6	Low	100 Å²	100	97.4 Å²	97.4	44%	0.435	52%	0.522	S	S	.	.	H	α-helix	trans	-61.4	-46.7	174.2	176.8	178.6	175.5	-177	0	111.8	C485 Q486 A487 H491 L492 S493	C485-K489 PolarHBondContact O-N 3.48Å; Q486-K489 WeakPolarHBondContact O-CB 3.39Å; Q486-K489 PolarHBondContact O-N 3.48Å; A487-K489 VanDerWaalsContact C-N 3.33Å; A487-K489 PolarHBondContact O-N 3.46Å; K489-H491 PolarHBondContact O-N 3.13Å; K489-L492 PolarHBondContact O-N 3.21Å; K489-S493 VanDerWaalsContact O-CB 3.24Å; K489-S493 WeakPolarHBondContact O-CB 3.47Å; K489-S493 PolarHBondContact O-N 3.37Å
490	D	62.4	Low	58.7	Low	98 Å²	98	98.6 Å²	98.6	52%	0.524	53%	0.534	S	S	.	.	H	α-helix	trans	-65.2	-31.8	-179.9	-69.9	-18.3	0	0	0	111.3	Q486 A487 K494	Q486-D490 PolarHBondContact O-N 3.36Å; A487-D490 PolarHBondContact O-N 3.45Å; D490-K494 WeakPolarHBondContact O-CG 3.44Å; D490-K494 PolarHBondContact O-N 3.07Å
491	H	64.1	Low	58.1	Low	132 Å²	132	102.6 Å²	102.6	61%	0.611	55%	0.549	S	S	*	.	H	α-helix	trans	-69.9	-44.5	174.8	-154.2	-23.2	0	0	0	112.4	A487 E488 K489 K494 V495	A487-H491 PolarHBondContact O-N 3.2Å; E488-H491 PolarHBondContact O-N 3.25Å; K489-H491 PolarHBondContact O-N 3.13Å; H491-K494 PolarHBondContact O-N 3.25Å; H491-V495 WeakPolarHBondContact O-CG2 3.29Å; H491-V495 PolarHBondContact O-N 3.31Å
492	L	53	Low	57.3	Low	95 Å²	95	104.1 Å²	104.1	50%	0.497	55%	0.551	S	S	.	*	H	α-helix	trans	-69.7	-36.2	177.7	-75	167.8	0	0	0	112.4	E488 K489 K494 V495 L496	E488-L492 PolarHBondContact O-N 3.13Å; K489-L492 PolarHBondContact O-N 3.21Å; L492-K494 VanDerWaalsContact C-N 3.27Å; L492-K494 PolarHBondContact O-N 2.88Å; L492-V495 PolarHBondContact O-N 3.49Å; L492-V495 VanDerWaalsContact O-N 3.15Å; L492-L496 WeakPolarHBondContact O-CB 3.5Å; L492-L496 WeakPolarHBondContact O-CG 3.43Å; L492-L496 PolarHBondContact O-N 3.48Å
493	S	58.7	Low	56.5	Low	70 Å²	70	102.8 Å²	102.8	49%	0.49	54%	0.544	S	S	.	.	H	α-helix	trans	-54.9	-42.5	171.3	168.2	0	0	0	0	111.9	K489	K489-S493 VanDerWaalsContact O-CB 3.24Å; K489-S493 WeakPolarHBondContact O-CB 3.47Å; K489-S493 PolarHBondContact O-N 3.37Å
494	K	61.5	Low	55.8	Low	150 Å²	150	102.6 Å²	102.6	65%	0.652	55%	0.549	S	S	*	.	H	α-helix	trans	-65.4	-44.5	174.7	-73.9	173.6	-179.9	175.5	0	112.2	D490 H491 L492 L496 S497	D490-K494 WeakPolarHBondContact O-CG 3.44Å; D490-K494 PolarHBondContact O-N 3.07Å; H491-K494 PolarHBondContact O-N 3.25Å; L492-K494 VanDerWaalsContact C-N 3.27Å; L492-K494 PolarHBondContact O-N 2.88Å; K494-L496 VanDerWaalsContact C-N 3.31Å; K494-L496 PolarHBondContact O-N 2.92Å; K494-S497 PolarHBondContact O-N 3.46Å; K494-S497 PolarHBondContact O-OG 2.89Å
495	V	58.4	Low	55.1	Low	76 Å²	76	110.7 Å²	110.7	46%	0.461	57%	0.568	S	S	.	*	H	α-helix	trans	-63.8	-37.1	179.4	175.1	0	0	0	0	111.7	H491 L492 S497 D498	H491-V495 WeakPolarHBondContact O-CG2 3.29Å; H491-V495 PolarHBondContact O-N 3.31Å; L492-V495 PolarHBondContact O-N 3.49Å; L492-V495 VanDerWaalsContact O-N 3.15Å; V495-S497 PolarHBondContact O-N 2.91Å; V495-D498 PolarHBondContact O-N 3.21Å
496	L	47.6	Very low	54.7	Low	74 Å²	74	110 Å²	110	39%	0.387	56%	0.56	S	S	.	*	H	α-helix	trans	-64.4	-22.7	177.6	-82.9	164.9	0	0	0	113.9	L492 K494 D498 L503 L506	L492-L496 WeakPolarHBondContact O-CB 3.5Å; L492-L496 WeakPolarHBondContact O-CG 3.43Å; L492-L496 PolarHBondContact O-N 3.48Å; K494-L496 VanDerWaalsContact C-N 3.31Å; K494-L496 PolarHBondContact O-N 2.92Å; L496-D498 PolarHBondContact O-N 3.44Å; L496-L503 HydrophobicContact CD2-CD2 3.98Å; L496-L506 HydrophobicContact CD2-CB 4.38Å; L496-L506 HydrophobicContact CD2-CD1 3.5Å; L496-L506 HydrophobicContact CG-CD1 4.37Å
497	S	57.4	Low	54.3	Low	94 Å²	94	113.8 Å²	113.8	66%	0.657	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-14.5	177.3	72	0	0	0	0	114	K494 V495	K494-S497 PolarHBondContact O-N 3.46Å; K494-S497 PolarHBondContact O-OG 2.89Å; V495-S497 PolarHBondContact O-N 2.91Å
498	D	57.1	Low	53.9	Low	142 Å²	142	117 Å²	117	76%	0.759	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	-1.6	-171.3	-79	-18.5	0	0	0	115	V495 L496	V495-D498 PolarHBondContact O-N 3.21Å; L496-D498 PolarHBondContact O-N 3.44Å
499	R	51.2	Low	53.6	Low	151 Å²	151	118.3 Å²	118.3	57%	0.57	58%	0.579	S	S	*	*			trans	-145.9	116.4	-176.6	-79.6	-166.7	167.5	178.5	-0.7	115.6	E502	R499-E502 IonicContact CZ-OE1 3.88Å; R499-E502 IonicContact NH1-OE1 2.79Å; R499-E502 PolarHBondContact NH1-OE1 3.09Å
500	D	45.5	Very low	53.6	Low	149 Å²	149	116.2 Å²	116.2	80%	0.797	58%	0.577	S	S	*	*	S	Bend	trans	-86.2	-7.9	-178.2	-80.5	-34.4	0	0	0	116.2
501	E	51.4	Low	53.6	Low	189 Å²	189	116.4 Å²	116.4	88%	0.883	58%	0.578	S	S	*	*	S	Bend	trans	-104.6	-17.8	178.8	-76	-175.3	161.3	0	0	114.6	L503	E501-L503 VanDerWaalsContact C-N 3.29Å
502	E	47.4	Very low	53.4	Low	87 Å²	87	112.8 Å²	112.8	41%	0.407	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.8	-12.4	172.8	-76.2	-179.8	-166.5	0	0	112.9	R499 A504 R505 L506	R499-E502 IonicContact CZ-OE1 3.88Å; R499-E502 IonicContact NH1-OE1 2.79Å; R499-E502 PolarHBondContact NH1-OE1 3.09Å; E502-A504 VanDerWaalsContact C-N 3.25Å; E502-A504 PolarHBondContact O-N 3.12Å; E502-A504 VanDerWaalsContact O-N 3.16Å; E502-R505 PolarHBondContact O-N 3.19Å; E502-L506 HydrophobicContact CB-CD1 4.18Å; E502-L506 WeakPolarHBondContact O-CG 3.3Å; E502-L506 PolarHBondContact O-N 3.33Å; E502-L506 VanDerWaalsContact O-N 3.16Å
503	L	43.7	Very low	53.6	Low	65 Å²	65	112.3 Å²	112.3	34%	0.34	56%	0.563	S	S	.	*	H	α-helix	trans	-56.1	-31.5	-179.2	-83.6	165.6	0	0	0	114.2	L496 E501 R507	L496-L503 HydrophobicContact CD2-CD2 3.98Å; E501-L503 VanDerWaalsContact C-N 3.29Å; L503-R507 WeakPolarHBondContact O-CG 3.39Å; L503-R507 PolarHBondContact O-N 3.37Å
504	A	49.9	Very low	53.5	Low	71 Å²	71	114.7 Å²	114.7	59%	0.587	57%	0.567	S	S	*	*	H	α-helix	trans	-74.2	-43.1	-178.2	0	0	0	0	0	112.7	E502 L506 R507	E502-A504 VanDerWaalsContact C-N 3.25Å; E502-A504 PolarHBondContact O-N 3.12Å; E502-A504 VanDerWaalsContact O-N 3.16Å; A504-L506 VanDerWaalsContact C-N 3.28Å; A504-L506 PolarHBondContact O-N 3.01Å; A504-R507 PolarHBondContact O-N 3.06Å
505	R	49.8	Very low	53.8	Low	224 Å²	224	112.1 Å²	112.1	85%	0.845	56%	0.56	S	S	*	*	H	α-helix	trans	-72.1	-26.9	176.7	-65.1	-174.3	-170.8	-178	3.8	111.8	E502	E502-R505 PolarHBondContact O-N 3.19Å
506	L	48.3	Very low	53.6	Low	59 Å²	59	112.4 Å²	112.4	31%	0.309	56%	0.558	S	S	.	*	H	α-helix	trans	-80	-17.4	177.2	-71.5	169.6	0	0	0	113.9	L496 E502 A504 Y509 S510	L496-L506 HydrophobicContact CD2-CB 4.38Å; L496-L506 HydrophobicContact CD2-CD1 3.5Å; L496-L506 HydrophobicContact CG-CD1 4.37Å; E502-L506 HydrophobicContact CB-CD1 4.18Å; E502-L506 WeakPolarHBondContact O-CG 3.3Å; E502-L506 PolarHBondContact O-N 3.33Å; E502-L506 VanDerWaalsContact O-N 3.16Å; A504-L506 VanDerWaalsContact C-N 3.28Å; A504-L506 PolarHBondContact O-N 3.01Å; L506-Y509 CarbonylContact O-C 3.56Å; L506-Y509 PolarHBondContact O-N 2.7Å; L506-S510 VanDerWaalsContact O-CB 3.3Å; L506-S510 WeakPolarHBondContact O-CB 3.45Å; L506-S510 PolarHBondContact O-N 3.33Å
507	R	50.2	Low	54.1	Low	179 Å²	179	115.1 Å²	115.1	68%	0.675	56%	0.563	S	S	*	*	H	α-helix	trans	-65.4	-41.4	171.9	-83.6	178.6	-177.2	171.8	2.8	112.5	L503 A504 Y509 S510 L511	L503-R507 WeakPolarHBondContact O-CG 3.39Å; L503-R507 PolarHBondContact O-N 3.37Å; A504-R507 PolarHBondContact O-N 3.06Å; R507-Y509 VanDerWaalsContact C-N 3.31Å; R507-S510 PolarHBondContact O-N 2.95Å; R507-S510 PolarHBondContact O-OG 3.38Å; R507-L511 PolarHBondContact O-N 3.46Å
508	D	56	Low	54.3	Low	127 Å²	127	113.4 Å²	113.4	68%	0.679	55%	0.552	S	S	*	*	H	α-helix	trans	-67.6	-37.4	176	-67.6	-18.7	0	0	0	110.8	S512	D508-S512 PolarHBondContact O-N 3.12Å; D508-S512 VanDerWaalsContact O-N 3.07Å
509	Y	54.8	Low	54.3	Low	153 Å²	153	112.8 Å²	112.8	60%	0.6	54%	0.544	S	S	*	.	H	α-helix	trans	-70.3	-35.2	175.1	-143.1	-90.3	0	0	0	112.5	L506 R507 S512 M513	L506-Y509 CarbonylContact O-C 3.56Å; L506-Y509 PolarHBondContact O-N 2.7Å; R507-Y509 VanDerWaalsContact C-N 3.31Å; Y509-S512 PolarHBondContact O-N 3.35Å; Y509-M513 HydrophobicContact CD1-CG 4.16Å; Y509-M513 HydrophobicContact CE1-CG 4.39Å; Y509-M513 WeakPolarHBondContact O-CB 3.44Å; Y509-M513 VanDerWaalsContact O-CG 3.32Å; Y509-M513 WeakPolarHBondContact O-CG 3.5Å; Y509-M513 PolarHBondContact O-N 2.95Å
510	S	57.7	Low	54.4	Low	56 Å²	56	110.1 Å²	110.1	39%	0.392	54%	0.539	S	S	.	.	H	α-helix	trans	-69.2	-38.3	176.4	77.9	0	0	0	0	111.3	L506 R507 M513 E514	L506-S510 VanDerWaalsContact O-CB 3.3Å; L506-S510 WeakPolarHBondContact O-CB 3.45Å; L506-S510 PolarHBondContact O-N 3.33Å; R507-S510 PolarHBondContact O-N 2.95Å; R507-S510 PolarHBondContact O-OG 3.38Å; S510-M513 CarbonylContact O-C 3.59Å; S510-M513 PolarHBondContact O-N 3.05Å; S510-E514 WeakPolarHBondContact O-CB 3.35Å; S510-E514 WeakPolarHBondContact O-CG 3.35Å; S510-E514 PolarHBondContact O-N 3.2Å
511	L	62.3	Low	55.2	Low	102 Å²	102	105.9 Å²	105.9	53%	0.534	52%	0.521	S	S	.	.	H	α-helix	trans	-65.8	-40.2	174.9	-145.1	85	0	0	0	111.1	R507 M513 E514 N515	R507-L511 PolarHBondContact O-N 3.46Å; L511-M513 VanDerWaalsContact C-N 3.35Å; L511-E514 PolarHBondContact O-N 3.29Å; L511-N515 PolarHBondContact O-N 3.07Å
512	S	59.5	Low	55.8	Low	55 Å²	55	99.4 Å²	99.4	39%	0.385	50%	0.497	S	S	.	.	H	α-helix	trans	-61.5	-42.5	171.6	176.3	0	0	0	0	111.8	D508 Y509 N515 I516	D508-S512 PolarHBondContact O-N 3.12Å; D508-S512 VanDerWaalsContact O-N 3.07Å; Y509-S512 PolarHBondContact O-N 3.35Å; S512-N515 PolarHBondContact O-N 2.83Å; S512-I516 WeakPolarHBondContact O-CD1 3.4Å; S512-I516 VanDerWaalsContact O-CG1 3.23Å; S512-I516 WeakPolarHBondContact O-CG1 3.43Å; S512-I516 PolarHBondContact O-N 2.95Å
513	M	56.2	Low	56.3	Low	86 Å²	86	97.3 Å²	97.3	42%	0.424	49%	0.491	S	S	.	.	H	α-helix	trans	-68.6	-34	176.7	-76.3	-69.3	-71.6	0	0	112.8	Y509 S510 L511 R517	Y509-M513 HydrophobicContact CD1-CG 4.16Å; Y509-M513 HydrophobicContact CE1-CG 4.39Å; Y509-M513 WeakPolarHBondContact O-CB 3.44Å; Y509-M513 VanDerWaalsContact O-CG 3.32Å; Y509-M513 WeakPolarHBondContact O-CG 3.5Å; Y509-M513 PolarHBondContact O-N 2.95Å; S510-M513 CarbonylContact O-C 3.59Å; S510-M513 PolarHBondContact O-N 3.05Å; L511-M513 VanDerWaalsContact C-N 3.35Å; M513-R517 WeakPolarHBondContact O-CB 3.47Å; M513-R517 PolarHBondContact O-N 3.49Å
514	E	58.1	Low	57.1	Low	120 Å²	120	97 Å²	97	56%	0.561	49%	0.492	S	S	*	.	H	α-helix	trans	-69	-39.9	174	-81.7	-179.1	166.1	0	0	111.6	S510 L511 R517 S518	S510-E514 WeakPolarHBondContact O-CB 3.35Å; S510-E514 WeakPolarHBondContact O-CG 3.35Å; S510-E514 PolarHBondContact O-N 3.2Å; L511-E514 PolarHBondContact O-N 3.29Å; E514-R517 PolarHBondContact O-N 3Å; E514-S518 WeakPolarHBondContact O-CB 3.43Å; E514-S518 PolarHBondContact O-N 3.39Å
515	N	67.1	Low	57.8	Low	95 Å²	95	97 Å²	97	51%	0.508	49%	0.485	S	S	.	.	H	α-helix	trans	-63.7	-49.4	172.9	-76.3	-11.8	0	0	0	111.2	L511 S512 R517 S518 E519	L511-N515 PolarHBondContact O-N 3.07Å; S512-N515 PolarHBondContact O-N 2.83Å; N515-R517 VanDerWaalsContact C-N 3.26Å; N515-R517 PolarHBondContact O-N 3.08Å; N515-S518 PolarHBondContact O-N 2.96Å; N515-S518 PolarHBondContact O-OG 2.93Å; N515-E519 PolarHBondContact O-N 3.24Å
516	I	53.9	Low	58.6	Low	82 Å²	82	92.5 Å²	92.5	42%	0.421	47%	0.474	S	S	.	.	H	α-helix	trans	-59.2	-40.6	175.6	-67.3	164.3	0	0	0	110.3	S512 E519 M520	S512-I516 WeakPolarHBondContact O-CD1 3.4Å; S512-I516 VanDerWaalsContact O-CG1 3.23Å; S512-I516 WeakPolarHBondContact O-CG1 3.43Å; S512-I516 PolarHBondContact O-N 2.95Å; I516-E519 PolarHBondContact O-N 3.01Å; I516-M520 HydrophobicContact CG2-CG 4.11Å; I516-M520 VanDerWaalsContact O-CB 3.25Å; I516-M520 WeakPolarHBondContact O-CB 3.37Å; I516-M520 WeakPolarHBondContact O-CG 3.42Å; I516-M520 PolarHBondContact O-N 3.25Å
517	R	57.9	Low	59.1	Low	131 Å²	131	93.6 Å²	93.6	49%	0.494	48%	0.48	S	S	.	.	H	α-helix	trans	-63.5	-41.5	175	174.9	-175.8	-80.6	-131.6	-16.2	111.6	M513 E514 N515 M520 S521	M513-R517 WeakPolarHBondContact O-CB 3.47Å; M513-R517 PolarHBondContact O-N 3.49Å; E514-R517 PolarHBondContact O-N 3Å; N515-R517 VanDerWaalsContact C-N 3.26Å; N515-R517 PolarHBondContact O-N 3.08Å; R517-M520 PolarHBondContact O-N 3.18Å; R517-S521 WeakPolarHBondContact O-CB 3.45Å; R517-S521 PolarHBondContact O-N 3.02Å; R517-S521 PolarHBondContact O-OG 3.34Å
518	S	62.9	Low	59.7	Low	59 Å²	59	87.5 Å²	87.5	41%	0.413	46%	0.464	S	S	.	.	H	α-helix	trans	-64	-43.6	178.7	77.2	0	0	0	0	110.9	E514 N515 S521 S522	E514-S518 WeakPolarHBondContact O-CB 3.43Å; E514-S518 PolarHBondContact O-N 3.39Å; N515-S518 PolarHBondContact O-N 2.96Å; N515-S518 PolarHBondContact O-OG 2.93Å; S518-S521 WeakPolarHBondContact CA-OG 3.41Å; S518-S521 PolarHBondContact O-N 2.98Å; S518-S521 PolarHBondContact O-OG 3.27Å; S518-S522 PolarHBondContact O-N 2.98Å; S518-S522 PolarHBondContact O-OG 3.36Å
519	E	56.5	Low	60.3	Low	129 Å²	129	86.9 Å²	86.9	60%	0.603	46%	0.457	S	S	*	.	H	α-helix	trans	-67.2	-39.9	175.6	-70.7	-179.2	170.7	0	0	112.2	N515 I516 S522 S523	N515-E519 PolarHBondContact O-N 3.24Å; I516-E519 PolarHBondContact O-N 3.01Å; E519-S522 PolarHBondContact O-OG 3.05Å; E519-S523 VanDerWaalsContact O-CB 3.26Å; E519-S523 WeakPolarHBondContact O-CB 3.41Å; E519-S523 PolarHBondContact O-N 2.83Å; E519-S523 PolarHBondContact O-OG 2.84Å
520	M	53.4	Low	60.6	Low	95 Å²	95	83.7 Å²	83.7	47%	0.468	45%	0.454	S	S	.	.	H	α-helix	trans	-68	-36.4	174.3	-72.3	-66.8	-69.9	0	0	111.1	I516 R517 S523 T524	I516-M520 HydrophobicContact CG2-CG 4.11Å; I516-M520 VanDerWaalsContact O-CB 3.25Å; I516-M520 WeakPolarHBondContact O-CB 3.37Å; I516-M520 WeakPolarHBondContact O-CG 3.42Å; I516-M520 PolarHBondContact O-N 3.25Å; R517-M520 PolarHBondContact O-N 3.18Å; M520-S523 WeakPolarHBondContact CA-OG 3.4Å; M520-S523 PolarHBondContact O-OG 3.36Å; M520-T524 VanDerWaalsContact O-CB 3.23Å; M520-T524 WeakPolarHBondContact O-CB 3.37Å; M520-T524 WeakPolarHBondContact O-CG2 3.39Å; M520-T524 PolarHBondContact O-N 3.22Å; M520-T524 PolarHBondContact O-OG1 3.41Å
521	S	62	Low	60.9	Low	59 Å²	59	83.7 Å²	83.7	41%	0.413	45%	0.449	S	S	.	.	H	α-helix	trans	-70.8	-40.5	176.5	72.5	0	0	0	0	111.8	R517 S518 T524 T525	R517-S521 WeakPolarHBondContact O-CB 3.45Å; R517-S521 PolarHBondContact O-N 3.02Å; R517-S521 PolarHBondContact O-OG 3.34Å; S518-S521 WeakPolarHBondContact CA-OG 3.41Å; S518-S521 PolarHBondContact O-N 2.98Å; S518-S521 PolarHBondContact O-OG 3.27Å; S521-T524 WeakPolarHBondContact CA-OG1 3.09Å; S521-T524 PolarHBondContact O-OG1 2.87Å; S521-T525 WeakPolarHBondContact O-CB 3.35Å; S521-T525 VanDerWaalsContact O-CG2 3.23Å; S521-T525 WeakPolarHBondContact O-CG2 3.45Å; S521-T525 PolarHBondContact O-N 2.9Å; S521-T525 PolarHBondContact O-OG1 3.14Å; S521-T525 VanDerWaalsContact O-OG1 3.07Å
522	S	64.2	Low	61.2	Low	54 Å²	54	84.9 Å²	84.9	38%	0.378	45%	0.452	S	S	.	.	H	α-helix	trans	-67.7	-48.2	176.6	67.2	0	0	0	0	110.6	S518 E519 T524 T525 E526	S518-S522 PolarHBondContact O-N 2.98Å; S518-S522 PolarHBondContact O-OG 3.36Å; E519-S522 PolarHBondContact O-OG 3.05Å; S522-T524 PolarHBondContact O-N 2.94Å; S522-T525 WeakPolarHBondContact CA-OG1 3.33Å; S522-T525 PolarHBondContact O-N 2.79Å; S522-T525 VanDerWaalsContact O-N 3.16Å; S522-T525 PolarHBondContact O-OG1 3.41Å; S522-E526 WeakPolarHBondContact O-CG 3.37Å; S522-E526 PolarHBondContact O-N 2.82Å
523	S	57	Low	61.8	Low	42 Å²	42	89.1 Å²	89.1	29%	0.294	46%	0.463	S	S	.	.	H	α-helix	trans	-63.5	-38.9	177.8	56.4	0	0	0	0	112.7	E519 M520 L527	E519-S523 VanDerWaalsContact O-CB 3.26Å; E519-S523 WeakPolarHBondContact O-CB 3.41Å; E519-S523 PolarHBondContact O-N 2.83Å; E519-S523 PolarHBondContact O-OG 2.84Å; M520-S523 WeakPolarHBondContact CA-OG 3.4Å; M520-S523 PolarHBondContact O-OG 3.36Å; S523-L527 VanDerWaalsContact O-CB 3.25Å; S523-L527 WeakPolarHBondContact O-CB 3.44Å; S523-L527 WeakPolarHBondContact O-CD1 3.48Å; S523-L527 VanDerWaalsContact O-CG 3.3Å; S523-L527 WeakPolarHBondContact O-CG 3.38Å; S523-L527 PolarHBondContact O-N 3Å
524	T	61.5	Low	62	Low	58 Å²	58	86.8 Å²	86.8	36%	0.356	46%	0.458	S	S	.	.	H	α-helix	trans	-67.2	-37.3	173.1	52.2	0	0	0	0	112.3	M520 S521 S522 S528	M520-T524 VanDerWaalsContact O-CB 3.23Å; M520-T524 WeakPolarHBondContact O-CB 3.37Å; M520-T524 WeakPolarHBondContact O-CG2 3.39Å; M520-T524 PolarHBondContact O-N 3.22Å; M520-T524 PolarHBondContact O-OG1 3.41Å; S521-T524 WeakPolarHBondContact CA-OG1 3.09Å; S521-T524 PolarHBondContact O-OG1 2.87Å; S522-T524 PolarHBondContact O-N 2.94Å; T524-S528 VanDerWaalsContact O-CB 3.27Å; T524-S528 WeakPolarHBondContact O-CB 3.4Å; T524-S528 PolarHBondContact O-N 3.42Å; T524-S528 PolarHBondContact O-OG 2.82Å
525	T	64.9	Low	62.4	Low	72 Å²	72	89.8 Å²	89.8	44%	0.442	46%	0.464	S	S	.	.	H	α-helix	trans	-67.8	-42.9	175.2	56.3	0	0	0	0	112.3	S521 S522 S528 Q529	S521-T525 WeakPolarHBondContact O-CB 3.35Å; S521-T525 VanDerWaalsContact O-CG2 3.23Å; S521-T525 WeakPolarHBondContact O-CG2 3.45Å; S521-T525 PolarHBondContact O-N 2.9Å; S521-T525 PolarHBondContact O-OG1 3.14Å; S521-T525 VanDerWaalsContact O-OG1 3.07Å; S522-T525 WeakPolarHBondContact CA-OG1 3.33Å; S522-T525 PolarHBondContact O-N 2.79Å; S522-T525 VanDerWaalsContact O-N 3.16Å; S522-T525 PolarHBondContact O-OG1 3.41Å; T525-S528 WeakPolarHBondContact CA-OG 3.39Å; T525-S528 PolarHBondContact O-N 3.41Å; T525-S528 PolarHBondContact O-OG 3.11Å; T525-Q529 WeakPolarHBondContact O-CG 3.45Å; T525-Q529 PolarHBondContact O-N 2.86Å
526	E	66.5	Low	62.6	Low	129 Å²	129	91.2 Å²	91.2	60%	0.603	47%	0.468	S	S	*	.	H	α-helix	trans	-64.9	-42.1	176.1	-73.1	179.9	177.3	0	0	111.9	S522 Q529 T530	S522-E526 WeakPolarHBondContact O-CG 3.37Å; S522-E526 PolarHBondContact O-N 2.82Å; E526-Q529 PolarHBondContact O-N 2.93Å; E526-T530 WeakPolarHBondContact O-CG2 3.38Å; E526-T530 PolarHBondContact O-N 2.85Å; E526-T530 PolarHBondContact O-OG1 3.05Å
527	L	58	Low	63.4	Low	83 Å²	83	94 Å²	94	44%	0.435	48%	0.479	S	S	.	.	H	α-helix	trans	-62.3	-43.5	172.2	-79	163.8	0	0	0	111.3	S523 Q529 T530 I531	S523-L527 VanDerWaalsContact O-CB 3.25Å; S523-L527 WeakPolarHBondContact O-CB 3.44Å; S523-L527 WeakPolarHBondContact O-CD1 3.48Å; S523-L527 VanDerWaalsContact O-CG 3.3Å; S523-L527 WeakPolarHBondContact O-CG 3.38Å; S523-L527 PolarHBondContact O-N 3Å; L527-Q529 PolarHBondContact O-N 2.95Å; L527-T530 WeakPolarHBondContact CA-OG1 3.45Å; L527-T530 PolarHBondContact O-N 2.65Å; L527-T530 PolarHBondContact O-OG1 3.22Å; L527-I531 WeakPolarHBondContact O-CB 3.42Å; L527-I531 WeakPolarHBondContact O-CD1 3.46Å; L527-I531 WeakPolarHBondContact O-CG1 3.43Å; L527-I531 PolarHBondContact O-N 3.15Å
528	S	63.7	Low	63.5	Low	50 Å²	50	89.6 Å²	89.6	35%	0.35	46%	0.464	S	S	.	.	H	α-helix	trans	-63.6	-41.1	178.9	70.4	0	0	0	0	112.4	T524 T525 I531 E532	T524-S528 VanDerWaalsContact O-CB 3.27Å; T524-S528 WeakPolarHBondContact O-CB 3.4Å; T524-S528 PolarHBondContact O-N 3.42Å; T524-S528 PolarHBondContact O-OG 2.82Å; T525-S528 WeakPolarHBondContact CA-OG 3.39Å; T525-S528 PolarHBondContact O-N 3.41Å; T525-S528 PolarHBondContact O-OG 3.11Å; S528-I531 PolarHBondContact O-N 3.49Å; S528-E532 WeakPolarHBondContact O-CG 3.32Å; S528-E532 PolarHBondContact O-N 3.03Å
529	Q	67.6	Low	63.8	Low	115 Å²	115	90.3 Å²	90.3	54%	0.537	47%	0.466	S	S	.	.	H	α-helix	trans	-69.5	-38.4	178.1	-72.6	179.3	9.7	0	0	112.4	T525 E526 L527 I531 K533	T525-Q529 WeakPolarHBondContact O-CG 3.45Å; T525-Q529 PolarHBondContact O-N 2.86Å; E526-Q529 PolarHBondContact O-N 2.93Å; L527-Q529 PolarHBondContact O-N 2.95Å; Q529-I531 VanDerWaalsContact C-N 3.34Å; Q529-K533 WeakPolarHBondContact O-CG 3.48Å; Q529-K533 PolarHBondContact O-N 3.39Å
530	T	62.5	Low	64.6	Low	85 Å²	85	89.6 Å²	89.6	52%	0.521	47%	0.467	S	S	.	.	H	α-helix	trans	-67.5	-37.4	175.4	48.5	0	0	0	0	111.4	E526 L527 A534	E526-T530 WeakPolarHBondContact O-CG2 3.38Å; E526-T530 PolarHBondContact O-N 2.85Å; E526-T530 PolarHBondContact O-OG1 3.05Å; L527-T530 WeakPolarHBondContact CA-OG1 3.45Å; L527-T530 PolarHBondContact O-N 2.65Å; L527-T530 PolarHBondContact O-OG1 3.22Å; T530-A534 WeakPolarHBondContact O-CB 3.11Å; T530-A534 PolarHBondContact O-N 2.88Å
531	I	63.1	Low	65.5	Low	57 Å²	57	92.9 Å²	92.9	29%	0.292	47%	0.474	S	S	.	.	H	α-helix	trans	-66.7	-44.3	174.2	-68.9	164.7	0	0	0	111.3	M475 L527 S528 Q529 A534 R535	M475-I531 HydrophobicContact SD-CD1 4.05Å; L527-I531 WeakPolarHBondContact O-CB 3.42Å; L527-I531 WeakPolarHBondContact O-CD1 3.46Å; L527-I531 WeakPolarHBondContact O-CG1 3.43Å; L527-I531 PolarHBondContact O-N 3.15Å; S528-I531 PolarHBondContact O-N 3.49Å; Q529-I531 VanDerWaalsContact C-N 3.34Å; I531-A534 PolarHBondContact O-N 2.93Å; I531-R535 VanDerWaalsContact O-CB 3.31Å; I531-R535 WeakPolarHBondContact O-CB 3.24Å; I531-R535 PolarHBondContact O-N 3.14Å
532	E	69.2	Low	65.6	Low	126 Å²	126	91.5 Å²	91.5	59%	0.589	46%	0.462	S	S	*	.	H	α-helix	trans	-61.9	-44.4	177.3	-79.1	-172.5	165.8	0	0	111.8	S528 A534 R535 E536	S528-E532 WeakPolarHBondContact O-CG 3.32Å; S528-E532 PolarHBondContact O-N 3.03Å; E532-A534 PolarHBondContact O-N 3.34Å; E532-R535 WeakPolarHBondContact O-CB 3.34Å; E532-R535 PolarHBondContact O-N 3.12Å; E532-E536 PolarHBondContact O-N 3Å
533	K	70.9	Confident	65.9	Low	144 Å²	144	91.6 Å²	91.6	63%	0.626	47%	0.465	S	S	*	.	H	α-helix	trans	-62	-41	174.3	-75.8	-179.8	179.2	176.6	0	112.9	Q529 R535 E536 Q537	Q529-K533 WeakPolarHBondContact O-CG 3.48Å; Q529-K533 PolarHBondContact O-N 3.39Å; K533-R535 VanDerWaalsContact C-N 3.31Å; K533-E536 PolarHBondContact O-N 2.87Å; K533-Q537 PolarHBondContact O-N 3.1Å
534	A	61.1	Low	66.8	Low	38 Å²	38	92.8 Å²	92.8	31%	0.314	47%	0.474	S	S	.	.	H	α-helix	trans	-65.7	-36.9	175.8	0	0	0	0	0	111.5	T530 I531 E532 M538	T530-A534 WeakPolarHBondContact O-CB 3.11Å; T530-A534 PolarHBondContact O-N 2.88Å; I531-A534 PolarHBondContact O-N 2.93Å; E532-A534 PolarHBondContact O-N 3.34Å; A534-M538 HydrophobicContact CB-CE 4.18Å; A534-M538 WeakPolarHBondContact O-CB 3.49Å; A534-M538 WeakPolarHBondContact O-CE 3.26Å; A534-M538 WeakPolarHBondContact O-CG 3.47Å; A534-M538 PolarHBondContact O-N 3.31Å
535	R	66.2	Low	66.8	Low	182 Å²	182	91.1 Å²	91.1	69%	0.687	46%	0.463	S	S	*	.	H	α-helix	trans	-65.4	-46.3	176.5	-163.3	179.5	-174	-169.5	1.6	111.1	I531 E532 K533 M538 T539	I531-R535 VanDerWaalsContact O-CB 3.31Å; I531-R535 WeakPolarHBondContact O-CB 3.24Å; I531-R535 PolarHBondContact O-N 3.14Å; E532-R535 WeakPolarHBondContact O-CB 3.34Å; E532-R535 PolarHBondContact O-N 3.12Å; K533-R535 VanDerWaalsContact C-N 3.31Å; R535-M538 PolarHBondContact O-N 3.22Å; R535-T539 WeakPolarHBondContact O-CG2 3.48Å; R535-T539 PolarHBondContact O-N 3.35Å; R535-T539 PolarHBondContact O-OG1 2.94Å; R535-T539 VanDerWaalsContact O-OG1 3.09Å
536	E	71.5	Confident	67	Low	126 Å²	126	92.6 Å²	92.6	59%	0.589	47%	0.465	S	S	*	.	H	α-helix	trans	-60	-48.6	175.5	-73.9	-179.9	169.3	0	0	111.8	E532 K533 M538 T539 D540	E532-E536 PolarHBondContact O-N 3Å; K533-E536 PolarHBondContact O-N 2.87Å; E536-M538 VanDerWaalsContact C-N 3.29Å; E536-M538 PolarHBondContact O-N 3.39Å; E536-T539 WeakPolarHBondContact CA-OG1 3.42Å; E536-T539 PolarHBondContact O-N 3.1Å; E536-T539 PolarHBondContact O-OG1 3.03Å; E536-D540 PolarHBondContact O-N 3.03Å
537	Q	70.4	Confident	67.5	Low	141 Å²	141	89.2 Å²	89.2	66%	0.659	46%	0.455	S	S	*	.	H	α-helix	trans	-60.4	-36.9	175.8	-83.4	-171.6	-15.3	0	0	112.9	K533 R541	K533-Q537 PolarHBondContact O-N 3.1Å; Q537-R541 WeakPolarHBondContact O-CG 3.36Å; Q537-R541 PolarHBondContact O-N 3.04Å; Q537-R541 VanDerWaalsContact O-N 3.17Å
538	M	59.5	Low	68.2	Low	37 Å²	37	91.1 Å²	91.1	18%	0.182	46%	0.457	C	S	.	.	H	α-helix	trans	-74.2	-37.7	177.6	-80.9	-171.2	-86.8	0	0	112.5	I468 Y471 A534 R535 E536 D540 R541 L542	I468-M538 HydrophobicContact CG1-SD 4.33Å; Y471-M538 HydrophobicContact CD2-CE 4.39Å; Y471-M538 HydrophobicContact CE2-CE 4.32Å; A534-M538 HydrophobicContact CB-CE 4.18Å; A534-M538 WeakPolarHBondContact O-CB 3.49Å; A534-M538 WeakPolarHBondContact O-CE 3.26Å; A534-M538 WeakPolarHBondContact O-CG 3.47Å; A534-M538 PolarHBondContact O-N 3.31Å; R535-M538 PolarHBondContact O-N 3.22Å; E536-M538 VanDerWaalsContact C-N 3.29Å; E536-M538 PolarHBondContact O-N 3.39Å; M538-D540 VanDerWaalsContact C-N 3.29Å; M538-D540 PolarHBondContact O-N 3.09Å; M538-R541 PolarHBondContact O-N 3.28Å; M538-L542 PolarHBondContact O-N 3.04Å
539	T	69.6	Low	68.3	Low	74 Å²	74	90.1 Å²	90.1	45%	0.454	45%	0.447	S	S	.	.	H	α-helix	trans	-63.3	-37.3	174.6	47	0	0	0	0	111.7	R535 E536 L542 A543	R535-T539 WeakPolarHBondContact O-CG2 3.48Å; R535-T539 PolarHBondContact O-N 3.35Å; R535-T539 PolarHBondContact O-OG1 2.94Å; R535-T539 VanDerWaalsContact O-OG1 3.09Å; E536-T539 WeakPolarHBondContact CA-OG1 3.42Å; E536-T539 PolarHBondContact O-N 3.1Å; E536-T539 PolarHBondContact O-OG1 3.03Å; T539-L542 PolarHBondContact O-N 3.44Å; T539-A543 WeakPolarHBondContact O-CB 3.17Å; T539-A543 PolarHBondContact O-N 3.42Å
540	D	73.1	Confident	68.5	Low	115 Å²	115	89.5 Å²	89.5	62%	0.615	44%	0.444	S	S	*	.	H	α-helix	trans	-67.1	-39.6	174.9	-71.6	-15.9	0	0	0	112	E536 M538 A543 S544	E536-D540 PolarHBondContact O-N 3.03Å; M538-D540 VanDerWaalsContact C-N 3.29Å; M538-D540 PolarHBondContact O-N 3.09Å; D540-A543 PolarHBondContact O-N 3.49Å; D540-S544 WeakPolarHBondContact O-CB 3.33Å; D540-S544 PolarHBondContact O-N 2.93Å
541	R	73	Confident	69	Low	164 Å²	164	90.9 Å²	90.9	62%	0.619	45%	0.445	S	S	*	.	H	α-helix	trans	-65	-40.1	174.5	-73.4	-179	80.7	176.3	3.7	112	Q537 M538 S544 L545	Q537-R541 WeakPolarHBondContact O-CG 3.36Å; Q537-R541 PolarHBondContact O-N 3.04Å; Q537-R541 VanDerWaalsContact O-N 3.17Å; M538-R541 PolarHBondContact O-N 3.28Å; R541-S544 PolarHBondContact O-N 3.18Å; R541-L545 WeakPolarHBondContact O-CG 3.46Å; R541-L545 PolarHBondContact O-N 3.15Å
542	L	64.9	Low	68.9	Low	30 Å²	30	88.9 Å²	88.9	16%	0.157	44%	0.436	C	S	.	.	H	α-helix	trans	-64.6	-46.1	175.3	-79.6	169.4	0	0	0	111.4	L464 I468 M538 T539 S544 L545 E546	L464-L542 HydrophobicContact CD1-CD2 4.39Å; I468-L542 HydrophobicContact CD1-CD1 3.87Å; M538-L542 PolarHBondContact O-N 3.04Å; T539-L542 PolarHBondContact O-N 3.44Å; L542-S544 VanDerWaalsContact C-N 3.3Å; L542-S544 PolarHBondContact O-N 3.47Å; L542-L545 PolarHBondContact O-N 3.23Å; L542-L545 VanDerWaalsContact O-N 3.13Å; L542-E546 WeakPolarHBondContact O-CG 3.4Å; L542-E546 PolarHBondContact O-N 2.93Å
543	A	70.5	Confident	68.7	Low	55 Å²	55	87.4 Å²	87.4	46%	0.455	43%	0.429	S	S	.	.	H	α-helix	trans	-60.7	-38.8	176	0	0	0	0	0	112.3	T539 D540 E546 S547	T539-A543 WeakPolarHBondContact O-CB 3.17Å; T539-A543 PolarHBondContact O-N 3.42Å; D540-A543 PolarHBondContact O-N 3.49Å; A543-E546 PolarHBondContact O-N 2.91Å; A543-S547 PolarHBondContact O-N 2.89Å
544	S	75.5	Confident	68.3	Low	67 Å²	67	86.5 Å²	86.5	47%	0.469	42%	0.422	S	S	.	.	H	α-helix	trans	-64.1	-41.1	173.8	179.5	0	0	0	0	112.7	D540 R541 L542 R548	D540-S544 WeakPolarHBondContact O-CB 3.33Å; D540-S544 PolarHBondContact O-N 2.93Å; R541-S544 PolarHBondContact O-N 3.18Å; L542-S544 VanDerWaalsContact C-N 3.3Å; L542-S544 PolarHBondContact O-N 3.47Å; S544-R548 WeakPolarHBondContact O-CG 3.39Å; S544-R548 PolarHBondContact O-N 2.98Å
545	L	61.6	Low	68.5	Low	23 Å²	23	90.3 Å²	90.3	12%	0.12	43%	0.433	C	S	.	.	H	α-helix	trans	-67.8	-41.3	176.4	-76.4	172.5	0	0	0	112.1	L457 L464 R541 L542 S547 R548 L549	L457-L545 HydrophobicContact CD2-CD2 4.01Å; L464-L545 HydrophobicContact CD1-CD1 3.57Å; R541-L545 WeakPolarHBondContact O-CG 3.46Å; R541-L545 PolarHBondContact O-N 3.15Å; L542-L545 PolarHBondContact O-N 3.23Å; L542-L545 VanDerWaalsContact O-N 3.13Å; L545-S547 PolarHBondContact O-N 3.31Å; L545-R548 PolarHBondContact O-N 2.86Å; L545-L549 WeakPolarHBondContact O-CB 3.41Å; L545-L549 PolarHBondContact O-N 2.85Å
546	E	69.4	Low	67.9	Low	104 Å²	104	82.2 Å²	82.2	49%	0.486	40%	0.403	S	S	.	.	H	α-helix	trans	-60.7	-44.5	176.1	-74.1	179	165.9	0	0	111.2	L542 A543 R548 L549 E550	L542-E546 WeakPolarHBondContact O-CG 3.4Å; L542-E546 PolarHBondContact O-N 2.93Å; A543-E546 PolarHBondContact O-N 2.91Å; E546-R548 VanDerWaalsContact C-N 3.33Å; E546-R548 PolarHBondContact O-N 3.26Å; E546-L549 PolarHBondContact O-N 3.49Å; E546-E550 WeakPolarHBondContact O-CG 3.46Å; E546-E550 PolarHBondContact O-N 2.98Å
547	S	75.3	Confident	67.2	Low	58 Å²	58	82 Å²	82	41%	0.406	40%	0.402	S	S	.	.	H	α-helix	trans	-60.1	-39.7	174.5	-175.8	0	0	0	0	112.9	A543 L545 E551	A543-S547 PolarHBondContact O-N 2.89Å; L545-S547 PolarHBondContact O-N 3.31Å; S547-E551 PolarHBondContact O-N 3.13Å; S547-E551 VanDerWaalsContact O-N 3.1Å
548	R	73.8	Confident	66.6	Low	122 Å²	122	84.3 Å²	84.3	46%	0.46	41%	0.405	S	S	.	.	H	α-helix	trans	-70.5	-36.1	177.8	-72.9	172.1	62.8	-165	-5	112.1	S544 L545 E546 E551 S552	S544-R548 WeakPolarHBondContact O-CG 3.39Å; S544-R548 PolarHBondContact O-N 2.98Å; L545-R548 PolarHBondContact O-N 2.86Å; E546-R548 VanDerWaalsContact C-N 3.33Å; E546-R548 PolarHBondContact O-N 3.26Å; R548-E551 PolarHBondContact O-N 3.24Å; R548-S552 PolarHBondContact O-N 2.92Å; R548-S552 VanDerWaalsContact O-N 3.09Å; R548-S552 PolarHBondContact O-OG 2.95Å
549	L	65.8	Low	66.2	Low	30 Å²	30	85.1 Å²	85.1	16%	0.157	41%	0.41	C	S	.	.	H	α-helix	trans	-64.1	-48.4	174.8	-163.6	80.5	0	0	0	109.8	V454 L457 T458 L545 E546 E551 S552 E553	V454-L549 HydrophobicContact CG1-CD1 4.16Å; L457-L549 HydrophobicContact CB-CD1 3.92Å; L457-L549 HydrophobicContact CD1-CD1 4.28Å; T458-L549 HydrophobicContact CG2-CD1 4.29Å; L545-L549 WeakPolarHBondContact O-CB 3.41Å; L545-L549 PolarHBondContact O-N 2.85Å; E546-L549 PolarHBondContact O-N 3.49Å; L549-E551 VanDerWaalsContact C-N 3.31Å; L549-E551 PolarHBondContact O-N 3.09Å; L549-S552 PolarHBondContact O-N 3.18Å; L549-S552 VanDerWaalsContact O-N 3.12Å; L549-S552 PolarHBondContact O-OG 2.88Å; L549-E553 WeakPolarHBondContact O-CG 3.39Å; L549-E553 PolarHBondContact O-N 3.09Å
550	E	71.4	Confident	65.3	Low	101 Å²	101	87.1 Å²	87.1	47%	0.472	41%	0.412	S	S	.	.	H	α-helix	trans	-59.3	-38.6	176.7	-75.1	-173.4	-177.4	0	0	113.1	E546 R554	E546-E550 WeakPolarHBondContact O-CG 3.46Å; E546-E550 PolarHBondContact O-N 2.98Å; E550-R554 WeakPolarHBondContact O-CB 3.07Å; E550-R554 WeakPolarHBondContact O-CG 3.39Å; E550-R554 PolarHBondContact O-N 3.36Å; E550-R554 PolarHBondContact O-NE 3.47Å; E550-R554 IonicContact OE2-NH2 2.67Å; E550-R554 PolarHBondContact OE2-NH2 3.34Å
551	E	72.7	Confident	63.9	Low	114 Å²	114	84.9 Å²	84.9	53%	0.533	41%	0.405	S	S	.	.	H	α-helix	trans	-64.6	-43.6	174.6	-80.7	-179	164.6	0	0	111.8	S547 R548 L549 R554 E555	S547-E551 PolarHBondContact O-N 3.13Å; S547-E551 VanDerWaalsContact O-N 3.1Å; R548-E551 PolarHBondContact O-N 3.24Å; L549-E551 VanDerWaalsContact C-N 3.31Å; L549-E551 PolarHBondContact O-N 3.09Å; E551-R554 PolarHBondContact O-N 2.93Å; E551-E555 PolarHBondContact O-N 3.47Å
552	S	61.4	Low	62.5	Low	16 Å²	16	81.7 Å²	81.7	11%	0.112	40%	0.403	C	S	.	.	H	α-helix	trans	-67.4	-37.2	177.1	68.8	0	0	0	0	112.8	R548 L549 E555 I556	R548-S552 PolarHBondContact O-N 2.92Å; R548-S552 VanDerWaalsContact O-N 3.09Å; R548-S552 PolarHBondContact O-OG 2.95Å; L549-S552 PolarHBondContact O-N 3.18Å; L549-S552 VanDerWaalsContact O-N 3.12Å; L549-S552 PolarHBondContact O-OG 2.88Å; S552-E555 PolarHBondContact O-N 3.13Å; S552-I556 WeakPolarHBondContact O-CG1 3.36Å; S552-I556 PolarHBondContact O-N 2.95Å
553	E	64.5	Low	61.5	Low	95 Å²	95	86 Å²	86	44%	0.444	42%	0.418	S	S	.	.	H	α-helix	trans	-66.1	-41	173.9	-73.3	-177.3	162.8	0	0	111	L549 E555 I556 E557	L549-E553 WeakPolarHBondContact O-CG 3.39Å; L549-E553 PolarHBondContact O-N 3.09Å; E553-E555 VanDerWaalsContact C-N 3.33Å; E553-E555 PolarHBondContact O-N 3.35Å; E553-I556 PolarHBondContact O-N 2.99Å; E553-E557 WeakPolarHBondContact O-CG 3.42Å; E553-E557 PolarHBondContact O-N 3.1Å
554	R	64	Low	59.9	Low	125 Å²	125	87.3 Å²	87.3	47%	0.472	42%	0.421	S	S	.	.	H	α-helix	trans	-63.4	-36	172.7	-81.5	-176	-104.5	161.9	-10.2	112.6	E550 E551 E557 R558	E550-R554 WeakPolarHBondContact O-CB 3.07Å; E550-R554 WeakPolarHBondContact O-CG 3.39Å; E550-R554 PolarHBondContact O-N 3.36Å; E550-R554 PolarHBondContact O-NE 3.47Å; E550-R554 IonicContact OE2-NH2 2.67Å; E550-R554 PolarHBondContact OE2-NH2 3.34Å; E551-R554 PolarHBondContact O-N 2.93Å; R554-E557 PolarHBondContact O-N 2.85Å; R554-R558 WeakPolarHBondContact O-CG 3.4Å; R554-R558 PolarHBondContact O-N 3.16Å
555	E	63.7	Low	57.8	Low	118 Å²	118	87.3 Å²	87.3	55%	0.551	42%	0.421	S	S	*	.	H	α-helix	trans	-67.5	-42.6	175.1	-166.6	168.3	-159.1	0	0	111.4	E551 S552 E553 E557 R558 L559	E551-E555 PolarHBondContact O-N 3.47Å; S552-E555 PolarHBondContact O-N 3.13Å; E553-E555 VanDerWaalsContact C-N 3.33Å; E553-E555 PolarHBondContact O-N 3.35Å; E555-E557 VanDerWaalsContact C-N 3.32Å; E555-E557 PolarHBondContact O-N 3.39Å; E555-R558 PolarHBondContact O-N 3.49Å; E555-L559 WeakPolarHBondContact O-CG 3.2Å; E555-L559 PolarHBondContact O-N 3.01Å
556	I	53.5	Low	56.2	Low	11 Å²	11	92.2 Å²	92.2	6%	0.056	45%	0.454	C	S	.	.	H	α-helix	trans	-60.9	-41.3	171.3	-69.2	169.2	0	0	0	110.9	V454 S552 E553 L559 K560	V454-I556 HydrophobicContact CG2-CD1 3.72Å; S552-I556 WeakPolarHBondContact O-CG1 3.36Å; S552-I556 PolarHBondContact O-N 2.95Å; E553-I556 PolarHBondContact O-N 2.99Å; I556-L559 PolarHBondContact O-N 3.03Å; I556-K560 HydrophobicContact CG2-CD 4.05Å; I556-K560 VanDerWaalsContact CG2-CE 3.47Å; I556-K560 WeakPolarHBondContact O-CB 3.31Å; I556-K560 VanDerWaalsContact O-CG 3.25Å; I556-K560 WeakPolarHBondContact O-CG 3.48Å; I556-K560 PolarHBondContact O-N 2.87Å
557	E	57.3	Low	54.3	Low	121 Å²	121	90.5 Å²	90.5	57%	0.565	47%	0.465	S	S	*	.	H	α-helix	trans	-65.9	-39.5	174.8	-77.6	-169	162.9	0	0	112.5	E553 R554 E555 K560 C561	E553-E557 WeakPolarHBondContact O-CG 3.42Å; E553-E557 PolarHBondContact O-N 3.1Å; R554-E557 PolarHBondContact O-N 2.85Å; E555-E557 VanDerWaalsContact C-N 3.32Å; E555-E557 PolarHBondContact O-N 3.39Å; E557-K560 CarbonylContact O-C 3.55Å; E557-K560 WeakPolarHBondContact O-CB 3.2Å; E557-K560 PolarHBondContact O-N 2.92Å; E557-C561 VanDerWaalsContact O-CB 3.25Å; E557-C561 WeakPolarHBondContact O-CB 3.48Å; E557-C561 PolarHBondContact O-N 3Å; E557-C561 PolarHBondContact O-SG 3.33Å
558	R	58.9	Low	51.8	Low	191 Å²	191	99.9 Å²	99.9	72%	0.721	49%	0.491	S	S	*	.	H	α-helix	trans	-62	-44.3	173.5	-78.7	179.9	-178.7	176.1	1.7	111.8	R554 E555 K560 C561 T562	R554-R558 WeakPolarHBondContact O-CG 3.4Å; R554-R558 PolarHBondContact O-N 3.16Å; E555-R558 PolarHBondContact O-N 3.49Å; R558-K560 VanDerWaalsContact C-N 3.28Å; R558-K560 PolarHBondContact O-N 3.39Å; R558-C561 PolarHBondContact O-N 3.39Å; R558-C561 VanDerWaalsContact O-N 3.15Å; R558-T562 PolarHBondContact O-N 3.27Å; R558-T562 PolarHBondContact O-OG1 3.32Å
559	L	50.7	Low	49.4	Very low	53 Å²	53	99.1 Å²	99.1	28%	0.277	50%	0.504	S	S	.	.	H	α-helix	trans	-65.4	-29.6	175.5	-69.5	172.5	0	0	0	112.5	E555 I556 T562	E555-L559 WeakPolarHBondContact O-CG 3.2Å; E555-L559 PolarHBondContact O-N 3.01Å; I556-L559 PolarHBondContact O-N 3.03Å; L559-T562 PolarHBondContact O-OG1 3.36Å
560	K	51.2	Low	47.4	Very low	116 Å²	116	102.5 Å²	102.5	50%	0.504	53%	0.531	S	S	.	.	H	α-helix	trans	-73.7	-39.6	169.6	-73.5	167.9	-178.5	168.6	0	111.8	I556 E557 R558 Y563	I556-K560 HydrophobicContact CG2-CD 4.05Å; I556-K560 VanDerWaalsContact CG2-CE 3.47Å; I556-K560 WeakPolarHBondContact O-CB 3.31Å; I556-K560 VanDerWaalsContact O-CG 3.25Å; I556-K560 WeakPolarHBondContact O-CG 3.48Å; I556-K560 PolarHBondContact O-N 2.87Å; E557-K560 CarbonylContact O-C 3.55Å; E557-K560 WeakPolarHBondContact O-CB 3.2Å; E557-K560 PolarHBondContact O-N 2.92Å; R558-K560 VanDerWaalsContact C-N 3.28Å; R558-K560 PolarHBondContact O-N 3.39Å; K560-Y563 WeakPolarHBondContact O-CB 3.47Å; K560-Y563 PolarHBondContact O-N 3.15Å
561	C	43.2	Very low	45.1	Very low	68 Å²	68	102.6 Å²	102.6	46%	0.459	54%	0.542	S	S	.	.	H	α-helix	trans	-73.5	-33.4	-175.3	-80.9	0	0	0	0	113.3	E557 R558 Y563 T564	E557-C561 VanDerWaalsContact O-CB 3.25Å; E557-C561 WeakPolarHBondContact O-CB 3.48Å; E557-C561 PolarHBondContact O-N 3Å; E557-C561 PolarHBondContact O-SG 3.33Å; R558-C561 PolarHBondContact O-N 3.39Å; R558-C561 VanDerWaalsContact O-N 3.15Å; C561-Y563 PolarHBondContact O-N 3Å; C561-T564 PolarHBondContact O-N 3.4Å; C561-T564 PolarHBondContact O-OG1 3.22Å
562	T	43.2	Very low	42.7	Very low	97 Å²	97	105.8 Å²	105.8	60%	0.595	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.9	-21.4	169.9	44.8	0	0	0	0	112.2	R558 L559	R558-T562 PolarHBondContact O-N 3.27Å; R558-T562 PolarHBondContact O-OG1 3.32Å; L559-T562 PolarHBondContact O-OG1 3.36Å
563	Y	43.3	Very low	40.8	Very low	120 Å²	120	111.9 Å²	111.9	47%	0.471	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.7	-18.4	174.1	-129.3	-86.9	0	0	0	115.1	H440 K560 C561 S565	H440-Y563 AromaticContact CE1-CE1 3.53Å; H440-Y563 AromaticContact CE1-CE2 3.81Å; H440-Y563 AromaticContact CE1-CZ 3.1Å; H440-Y563 PolarHBondContact CE1-OH 3.32Å; H440-Y563 AromaticContact ND1-CE2 3.97Å; H440-Y563 AromaticContact ND1-CZ 3.71Å; H440-Y563 PolarHBondContact ND1-OH 3.14Å; H440-Y563 AromaticContact NE2-CZ 3.89Å; H440-Y563 PolarHBondContact NE2-OH 3.2Å; K560-Y563 WeakPolarHBondContact O-CB 3.47Å; K560-Y563 PolarHBondContact O-N 3.15Å; C561-Y563 PolarHBondContact O-N 3Å; Y563-S565 VanDerWaalsContact C-N 3.33Å
564	T	36.8	Very low	38.8	Very low	84 Å²	84	112.3 Å²	112.3	52%	0.515	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.8	-12	179.2	60.2	0	0	0	0	113.8	C561	C561-T564 PolarHBondContact O-N 3.4Å; C561-T564 PolarHBondContact O-OG1 3.22Å
565	S	31.1	Very low	36.8	Very low	67 Å²	67	112.5 Å²	112.5	47%	0.469	62%	0.616	S	S	.	*	S	Bend	trans	-115.4	114.8	170.2	56.8	0	0	0	0	110.1	Y563 G567	Y563-S565 VanDerWaalsContact C-N 3.33Å; S565-G567 PolarHBondContact O-N 2.84Å
566	P	29.9	Very low	34.8	Very low	125 Å²	125	114.6 Å²	114.6	81%	0.812	63%	0.631	S	S	*	*			trans	-59.3	125.6	175.2	25.3	-30.7	0	0	0	108.5	R568	P566-R568 PolarHBondContact O-N 2.99Å; P566-R568 VanDerWaalsContact O-N 3.13Å
567	G	28.5	Very low	33.4	Very low	69 Å²	69	121.4 Å²	121.4	71%	0.711	67%	0.666	S	S	*	*			trans	-53.3	117.2	-173.2	0	0	0	0	0	112.6	S565 S569	S565-G567 PolarHBondContact O-N 2.84Å; G567-S569 PolarHBondContact O-N 3.32Å
568	R	23.5	Very low	31.6	Very low	255 Å²	255	124.1 Å²	124.1	96%	0.962	68%	0.679	S	S	*	*			trans	-71.4	76.8	132.4	-82.2	-174.4	175.4	-161.9	-1.1	106.2	P566 S570	P566-R568 PolarHBondContact O-N 2.99Å; P566-R568 VanDerWaalsContact O-N 3.13Å; R568-S570 PolarHBondContact O-N 3.28Å
569	S	23.4	Very low	30	Very low	105 Å²	105	124.4 Å²	124.4	73%	0.734	69%	0.688	S	S	*	*			trans	-70.1	114.6	156.2	46.5	0	0	0	0	105.3	G567 S571	G567-S569 PolarHBondContact O-N 3.32Å; S569-S571 VanDerWaalsContact C-N 3.33Å; S569-S571 PolarHBondContact O-N 2.88Å
570	S	22.6	Very low	28.6	Very low	102 Å²	102	130.4 Å²	130.4	71%	0.713	72%	0.715	S	S	*	*			trans	-47.1	99.9	164.8	51.1	0	0	0	0	108.4	R568 Q572	R568-S570 PolarHBondContact O-N 3.28Å; S570-Q572 PolarHBondContact O-N 3.07Å
571	S	23.7	Very low	27.4	Very low	102 Å²	102	131.6 Å²	131.6	71%	0.713	73%	0.732	S	S	*	*			trans	-62.6	95.8	157.2	54.6	0	0	0	0	105.2	S569 L573	S569-S571 VanDerWaalsContact C-N 3.33Å; S569-S571 PolarHBondContact O-N 2.88Å; S571-L573 VanDerWaalsContact C-N 3.28Å; S571-L573 PolarHBondContact O-N 2.87Å
572	Q	22.1	Very low	26.4	Very low	182 Å²	182	135.1 Å²	135.1	85%	0.85	75%	0.746	S	S	*	*			trans	-48.5	100.7	159.6	-74.2	171.9	-36.2	0	0	106.2	S570	S570-Q572 PolarHBondContact O-N 3.07Å
573	L	21.2	Very low	25.8	Very low	143 Å²	143	138.7 Å²	138.7	75%	0.749	76%	0.762	S	S	*	*			trans	-60.3	137.6	157	-96.5	111.4	0	0	0	106.5	S571	S571-L573 VanDerWaalsContact C-N 3.28Å; S571-L573 PolarHBondContact O-N 2.87Å
574	P	22.2	Very low	25.1	Very low	104 Å²	104	140.2 Å²	140.2	68%	0.675	78%	0.778	S	S	*	*			trans	-57.2	145	175.8	-14.4	26.9	0	0	0	109.5	L576	P574-L576 PolarHBondContact O-N 3.25Å
575	P	21.9	Very low	24.7	Very low	129 Å²	129	140.9 Å²	140.9	84%	0.838	78%	0.784	S	S	*	*			trans	-65.3	107.6	-179.6	27.3	-31.2	0	0	0	108.8	L577	P575-L577 PolarHBondContact O-N 3.3Å
576	L	23.3	Very low	24.4	Very low	163 Å²	163	144.3 Å²	144.3	85%	0.853	80%	0.797	S	S	*	*			trans	-74.1	114.5	164.8	-92.5	155.7	0	0	0	107.4	P574	P574-L576 PolarHBondContact O-N 3.25Å
577	L	22.6	Very low	24.2	Very low	153 Å²	153	146.3 Å²	146.3	80%	0.801	80%	0.795	S	S	*	*			trans	-24.2	122.5	166.3	-72.7	137.8	0	0	0	114.5	P575 E579	P575-L577 PolarHBondContact O-N 3.3Å; L577-E579 PolarHBondContact O-N 2.9Å
578	E	21.1	Very low	24	Very low	179 Å²	179	152.7 Å²	152.7	84%	0.836	81%	0.806	S	S	*	*			trans	2.2	107.1	140	-64.1	166.9	179.4	0	0	116.2
579	E	25.2	Very low	24	Very low	196 Å²	196	149.1 Å²	149.1	92%	0.916	80%	0.8	S	S	*	*			trans	-127.4	107.9	140.3	-79.9	-168.1	169.3	0	0	108.5	L577	L577-E579 PolarHBondContact O-N 2.9Å
580	E	20.4	Very low	24	Very low	179 Å²	179	153.6 Å²	153.6	84%	0.836	81%	0.807	S	S	*	*			trans	-64.4	129.6	169.6	-58.3	177.5	146.9	0	0	109.9
581	T	26.1	Very low	24	Very low	141 Å²	141	157.8 Å²	157.8	87%	0.865	82%	0.815	S	S	*	*			trans	-150.3	114.1	140.5	37.2	0	0	0	0	110.8
582	N	22.7	Very low	24	Very low	142 Å²	142	161.6 Å²	161.6	76%	0.759	83%	0.826	S	S	*	*			trans	-37.3	135.3	166.3	-61.9	-47.9	0	0	0	114.5
583	N	31.3	Very low	24	Very low	173 Å²	173	157.9 Å²	157.9	93%	0.925	83%	0.827	S	S	*	*				-159.9	134.4	127.1	-89.6	-33.1	0	0	0	110.8
584	D	27.1	Very low	24.1	Very low	151 Å²	151	156.5 Å²	156.5	81%	0.807	83%	0.829	S	S	*	*			trans	-104.1	-170.6	-156.3	-125.4	-9.6	0	0	0	109.9
585	P	30	Very low	24.2	Very low	98 Å²	98	161 Å²	161	64%	0.636	84%	0.838	S	S	*	*				-125.1	-170.4	-118.8	35.7	-14.8	0	0	0	116.1
586	L	24.6	Very low	24.1	Very low	140 Å²	140	163.7 Å²	163.7	73%	0.733	84%	0.842	S	S	*	*			trans	91.9	128.1	143.8	-114.1	83.5	0	0	0	122
587	E	24.3	Very low	24	Very low	166 Å²	166	160.9 Å²	160.9	78%	0.776	84%	0.836	S	S	*	*			trans	72.2	86.7	137.8	-84.8	178.9	-178.8	0	0	121.9
588	E	25.5	Very low	24	Very low	203 Å²	203	162.3 Å²	162.3	95%	0.949	84%	0.838	S	S	*	*			trans	-144	56.1	148.8	-73.1	-163.6	163.5	0	0	112.2
589	E	23	Very low	24.1	Very low	180 Å²	180	160.7 Å²	160.7	84%	0.841	84%	0.84	S	S	*	*			trans	-132.9	108	162.4	-84.9	-166.8	158.6	0	0	108.7
590	K	22.3	Very low	23.9	Very low	200 Å²	200	154.9 Å²	154.9	87%	0.87	83%	0.833	S	S	*	*			trans	153.3	56.2	150.1	-83.5	163.8	-175	175.8	0	113.7
591	Q	24.2	Very low	24.2	Very low	190 Å²	190	152.5 Å²	152.5	89%	0.888	83%	0.833	S	S	*	*			trans	-150.1	69	161	-70.3	-165.8	5.8	0	0	112.6
592	L	23.9	Very low	24	Very low	181 Å²	181	151.6 Å²	151.6	95%	0.948	83%	0.832	S	S	*	*			trans	-156.9	30.4	159.2	-138.2	83.2	0	0	0	115.4
593	A	21.1	Very low	24	Very low	104 Å²	104	153.2 Å²	153.2	86%	0.86	83%	0.833	S	S	*	*			trans	-121.8	67.8	178.4	0	0	0	0	0	111.3
594	S	23.1	Very low	23.6	Very low	115 Å²	115	151.1 Å²	151.1	80%	0.804	83%	0.83	S	S	*	*			trans	-161.4	52.5	170.3	60.2	0	0	0	0	113.6
595	K	23.8	Very low	23.3	Very low	198 Å²	198	152.3 Å²	152.3	86%	0.861	83%	0.828	S	S	*	*			trans	-138.6	123	163.4	-80.2	-172.4	177.9	172.3	0	111.8
596	M	20.9	Very low	22.9	Very low	186 Å²	186	157.9 Å²	157.9	92%	0.916	84%	0.837	S	S	*	*			trans	85.1	80.2	156.4	-61.3	-174	133.2	0	0	118
597	S	20.5	Very low	22.8	Very low	103 Å²	103	157.7 Å²	157.7	72%	0.72	85%	0.846	S	S	*	*			trans	-58.2	162.9	132.1	49.2	0	0	0	0	112.3
598	E	22.4	Very low	22.8	Very low	183 Å²	183	154.2 Å²	154.2	86%	0.855	85%	0.845	S	S	*	*			trans	99.3	93.3	172.2	-58.2	179.6	-176	0	0	116
599	V	24	Very low	22.6	Very low	146 Å²	146	152.1 Å²	152.1	89%	0.885	84%	0.84	S	S	*	*				-168.7	113	124	173.6	0	0	0	0	106.9
600	G	21.1	Very low	22.6	Very low	73 Å²	73	154.9 Å²	154.9	75%	0.753	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-77.2	136.9	178.2	0	0	0	0	0	113.1
601	P	26.6	Very low	22.5	Very low	129 Å²	129	157 Å²	157	84%	0.838	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-98.8	141.2	175	33.9	-27.1	0	0	0	112.4
602	S	22.6	Very low	22.5	Very low	122 Å²	122	156.8 Å²	156.8	85%	0.853	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-76.2	138.5	-171.8	42.4	0	0	0	0	114.7
603	F	21	Very low	22.5	Very low	177 Å²	177	151.3 Å²	151.3	78%	0.776	84%	0.838	S	S	*	*			trans	-25.7	133.9	162.6	-99.1	-120.9	0	0	0	117.9	K605	F603-K605 HydrophobicContact CD1-CG 4.32Å; F603-K605 HydrophobicContact CE1-CD 4.4Å; F603-K605 HydrophobicContact CE1-CG 4.47Å
604	C	23.6	Very low	22.7	Very low	129 Å²	129	155.8 Å²	155.8	87%	0.872	84%	0.841	S	S	*	*			trans	-148.1	108.9	145	-170.7	0	0	0	0	111.2
605	K	21.4	Very low	22.8	Very low	175 Å²	175	155.9 Å²	155.9	76%	0.761	84%	0.841	S	S	*	*			trans	-81.1	106.9	175.4	-73	172.2	165.4	171.2	0	109.8	F603	F603-K605 HydrophobicContact CD1-CG 4.32Å; F603-K605 HydrophobicContact CE1-CD 4.4Å; F603-K605 HydrophobicContact CE1-CG 4.47Å
606	R	21.5	Very low	22.8	Very low	215 Å²	215	151.8 Å²	151.8	81%	0.811	84%	0.838	S	S	*	*			trans	-164.5	-8.6	149.9	-150.2	133.4	170.8	162.9	-3.9	119.3
607	C	23	Very low	23	Very low	137 Å²	137	151.9 Å²	151.9	93%	0.926	84%	0.836	S	S	*	*			trans	-102.1	22.6	-173.2	-64.4	0	0	0	0	115.9	L609	C607-L609 PolarHBondContact O-N 3.04Å
608	A	22.5	Very low	23.3	Very low	93 Å²	93	155 Å²	155	77%	0.769	84%	0.841	S	S	*	*			trans	-93.3	86.9	171.3	0	0	0	0	0	109.5
609	L	21.9	Very low	23.5	Very low	159 Å²	159	152.7 Å²	152.7	83%	0.832	84%	0.84	S	S	*	*			trans	-177.5	113.3	158.8	-98.2	149.2	0	0	0	106.3	C607	C607-L609 PolarHBondContact O-N 3.04Å
610	Y	22.6	Very low	23.6	Very low	237 Å²	237	155.3 Å²	155.3	93%	0.929	84%	0.842	S	S	*	*	S	Bend	trans	138.3	62.3	166.5	-80.9	-68.3	0	0	0	111
611	R	21.8	Very low	23.9	Very low	245 Å²	245	156.8 Å²	156.8	93%	0.925	84%	0.841	S	S	*	*			trans	-173.7	74	152	-113.6	-172.4	-167.6	179.3	3.8	112.1
612	L	24.2	Very low	23.8	Very low	186 Å²	186	158.9 Å²	158.9	97%	0.974	84%	0.842	S	S	*	*			trans	-165.8	133.3	158.3	-77.8	178.1	0	0	0	101.8
613	G	23.9	Very low	23.9	Very low	66 Å²	66	160.8 Å²	160.8	68%	0.68	84%	0.843	S	S	*	*			cis	172.4	166	14.4	0	0	0	0	0	104.3
614	H	24	Very low	24.1	Very low	197 Å²	197	161.3 Å²	161.3	91%	0.912	85%	0.847	S	S	*	*			trans	-41.9	137.4	179.8	-64.2	-95.7	0	0	0	115.6
615	S	25.2	Very low	24.1	Very low	117 Å²	117	163.9 Å²	163.9	82%	0.818	85%	0.847	S	S	*	*			trans	-168.8	108.5	134.6	46.8	0	0	0	0	109.3	E617	S615-E617 PolarHBondContact O-N 3.49Å
616	S	24.5	Very low	24.3	Very low	113 Å²	113	163.7 Å²	163.7	79%	0.79	85%	0.852	S	S	*	*			trans	-79.5	96.6	169.7	47.6	0	0	0	0	108.5
617	E	24.7	Very low	24.3	Very low	187 Å²	187	161.2 Å²	161.2	87%	0.874	85%	0.854	S	S	*	*			trans	-166.2	7.9	162.4	-112	159.8	-142.4	0	0	116.9	S615	S615-E617 PolarHBondContact O-N 3.49Å
618	M	26.1	Very low	24.3	Very low	170 Å²	170	160.4 Å²	160.4	84%	0.837	85%	0.845	S	S	*	*			trans	-122.3	17.1	-177.5	-81	-91.6	-112.1	0	0	115.5	Q620	M618-Q620 VanDerWaalsContact C-N 3.28Å; M618-Q620 PolarHBondContact O-N 2.89Å
619	T	26.4	Very low	24.3	Very low	133 Å²	133	162.6 Å²	162.6	82%	0.816	84%	0.843	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	3.4	-178.6	36.7	0	0	0	0	115.6
620	Q	27.2	Very low	24.4	Very low	201 Å²	201	164.5 Å²	164.5	94%	0.939	85%	0.845	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-0.1	-178.3	-79.2	-174	-10.5	0	0	116.3	M618	M618-Q620 VanDerWaalsContact C-N 3.28Å; M618-Q620 PolarHBondContact O-N 2.89Å
621	S	26.5	Very low	24.2	Very low	105 Å²	105	161.9 Å²	161.9	73%	0.734	84%	0.844	S	S	*	*	S	Bend	trans	-124.9	3.7	-174.1	-172.2	0	0	0	0	116.9
622	M	24.4	Very low	24.3	Very low	173 Å²	173	155.7 Å²	155.7	85%	0.852	84%	0.838	S	S	*	*			trans	-117.3	22.2	-174.7	-82.3	-165.2	-178.5	0	0	116
623	N	26	Very low	24.2	Very low	162 Å²	162	152.3 Å²	152.3	87%	0.866	83%	0.83	S	S	*	*	S	Bend	trans	-88.3	1.3	176.5	-89.8	-7.3	0	0	0	115.7
624	E	24.1	Very low	24.1	Very low	187 Å²	187	155.5 Å²	155.5	87%	0.874	84%	0.835	S	S	*	*	S	Bend	trans	-117.4	7.2	-170.6	-71.5	-158.8	159.8	0	0	118.3
625	Q	24.9	Very low	23.9	Very low	184 Å²	184	152 Å²	152	86%	0.86	82%	0.823	S	S	*	*	S	Bend	trans	-133	21.1	-175.2	-73.4	-168.4	-4.3	0	0	118.1
626	I	24.3	Very low	23.7	Very low	170 Å²	170	153 Å²	153	87%	0.872	82%	0.82	S	S	*	*			trans	-119	57.8	172.6	-45.2	-179.7	0	0	0	110.8
627	L	22.1	Very low	23.6	Very low	163 Å²	163	158.9 Å²	158.9	85%	0.853	83%	0.826	S	S	*	*			trans	-131.6	134.8	155	-114.3	142.8	0	0	0	104.6
628	V	23.1	Very low	23.4	Very low	120 Å²	120	161.2 Å²	161.2	73%	0.727	83%	0.827	S	S	*	*	S	Bend	trans	103.4	105.9	-179.8	-172	0	0	0	0	114.6
629	N	22.5	Very low	23.1	Very low	139 Å²	139	163.9 Å²	163.9	74%	0.743	83%	0.828	S	S	*	*			trans	78.3	102.1	152	-62.7	-15.5	0	0	0	119
630	K	23.8	Very low	22.9	Very low	200 Å²	200	163.4 Å²	163.4	87%	0.87	83%	0.827	S	S	*	*				175.6	99.2	100.1	-93.5	168.6	-178.6	179	0	111
631	M	19.2	Very low	22.6	Very low	182 Å²	182	156.9 Å²	156.9	90%	0.897	81%	0.813	S	S	*	*			trans	-73.8	147.7	145.2	-77.6	-170.9	169.6	0	0	108.5
632	S	22.5	Very low	22.5	Very low	115 Å²	115	157.2 Å²	157.2	80%	0.804	82%	0.816	S	S	*	*			trans	74.1	100.7	171.1	75	0	0	0	0	117.6
633	S	23.1	Very low	22.4	Very low	115 Å²	115	153.8 Å²	153.8	80%	0.804	81%	0.809	S	S	*	*				-174.3	104.5	112.2	71.5	0	0	0	0	109.2
634	V	20.7	Very low	22.3	Very low	132 Å²	132	154.1 Å²	154.1	80%	0.8	81%	0.81	S	S	*	*			trans	-71.1	119.4	158.1	168.5	0	0	0	0	106.7
635	N	20.2	Very low	22.3	Very low	123 Å²	123	150.1 Å²	150.1	66%	0.658	80%	0.802	S	S	*	*			trans	138	127	151.7	-72.8	-23.1	0	0	0	114.1
636	D	21.8	Very low	22.2	Very low	139 Å²	139	147 Å²	147	74%	0.743	80%	0.801	S	S	*	*			trans	60.1	93.6	146.5	-59.4	-26.2	0	0	0	119.3
637	Y	22.5	Very low	22.1	Very low	236 Å²	236	144 Å²	144	93%	0.925	80%	0.795	S	S	*	*			trans	-128.7	106.9	142.3	-87.3	-81.4	0	0	0	112.1
638	R	20.8	Very low	22.3	Very low	237 Å²	237	142.5 Å²	142.5	89%	0.894	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-55.3	147.3	156	-79.4	176.2	170.3	177.9	-2.8	110.3
639	R	19.6	Very low	22.3	Very low	226 Å²	226	143.6 Å²	143.6	85%	0.853	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-50	131.9	172.2	-60.6	172.3	178.7	179.4	-1.3	113.1
640	P	22.7	Very low	22.4	Very low	123 Å²	123	140.9 Å²	140.9	80%	0.799	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-89.7	138.2	136.7	31.3	-20.1	0	0	0	107.5
641	G	20.3	Very low	22.6	Very low	63 Å²	63	136.2 Å²	136.2	65%	0.649	80%	0.798	S	S	*	*			cis	97.5	96	36.2	0	0	0	0	0	109
642	S	23.2	Very low	22.9	Very low	113 Å²	113	135.3 Å²	135.3	79%	0.79	80%	0.796	S	S	*	*			trans	69.9	117.8	153.8	59.4	0	0	0	0	122.5
643	S	23.2	Very low	22.9	Very low	101 Å²	101	138.7 Å²	138.7	71%	0.706	80%	0.796	S	S	*	*				66.9	108	126.9	67.1	0	0	0	0	121.5
644	L	24.8	Very low	23	Very low	168 Å²	168	141.5 Å²	141.5	88%	0.88	80%	0.797	S	S	*	*			trans	-156.3	90.3	134.5	-91.3	133.7	0	0	0	105.4
645	S	22.5	Very low	23.4	Very low	103 Å²	103	142.3 Å²	142.3	72%	0.72	80%	0.797	S	S	*	*				66	110.9	101.7	69.6	0	0	0	0	114.2
646	S	22.6	Very low	23.6	Very low	119 Å²	119	147.9 Å²	147.9	83%	0.832	81%	0.809	S	S	*	*			trans	-76.3	123	176.7	48.3	0	0	0	0	113.8
647	S	24.2	Very low	23.9	Very low	108 Å²	108	148.3 Å²	148.3	76%	0.755	81%	0.809	S	S	*	*			trans	172.7	118.9	152.5	51.9	0	0	0	0	103.3
648	T	24.8	Very low	24.5	Very low	131 Å²	131	142.2 Å²	142.2	80%	0.804	80%	0.801	S	S	*	*	S	Bend		-175.5	51.2	70	-35.5	0	0	0	0	110.5
649	T	24	Very low	25	Very low	142 Å²	142	139.9 Å²	139.9	87%	0.871	80%	0.8	S	S	*	*	S	Bend	trans	-137.1	15.2	176.3	51.2	0	0	0	0	114.5
650	G	23.6	Very low	25.5	Very low	83 Å²	83	131.4 Å²	131.4	86%	0.856	78%	0.783	S	S	*	*			trans	-100.5	75.8	178.2	0	0	0	0	0	112.9
651	S	28.8	Very low	26.1	Very low	102 Å²	102	128.7 Å²	128.7	71%	0.713	78%	0.777	S	S	*	*	S	Bend	trans	-158.8	-1.9	159.8	74.6	0	0	0	0	116.5
652	L	24.5	Very low	26.9	Very low	163 Å²	163	132.5 Å²	132.5	85%	0.853	78%	0.783	S	S	*	*	S	Bend	trans	-117.3	8.9	-179.4	-81.4	165.3	0	0	0	114.6
653	F	22.7	Very low	27.4	Very low	185 Å²	185	137.1 Å²	137.1	81%	0.811	78%	0.783	S	S	*	*	S	Bend	trans	-122.1	16.6	-176.2	-107.7	-84.1	0	0	0	114.2
654	Q	26.4	Very low	27.9	Very low	174 Å²	174	138.5 Å²	138.5	81%	0.813	78%	0.778	S	S	*	*	S	Bend	trans	-93.9	-12	-174.7	-124.2	178.9	-13	0	0	115.2
655	D	28.5	Very low	28.7	Very low	150 Å²	150	133.9 Å²	133.9	80%	0.802	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-2.6	-175	-75.1	-12.6	0	0	0	115.2
656	W	23.3	Very low	29.6	Very low	240 Å²	240	132 Å²	132	91%	0.909	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	14.2	-174.9	-101.9	57.4	0	0	0	115.7
657	I	29	Very low	30.3	Very low	147 Å²	147	134.2 Å²	134.2	75%	0.754	74%	0.738	S	S	*	*	S	Bend	trans	-108.8	-7.9	-177.7	-65	-179.6	0	0	0	113.8
658	S	35.5	Very low	31.1	Very low	108 Å²	108	137.5 Å²	137.5	76%	0.755	73%	0.733	S	S	*	*	S	Bend	trans	-82.4	-11.9	-175.1	53.6	0	0	0	0	116.7
659	E	30.1	Very low	32	Very low	189 Å²	189	137.4 Å²	137.4	88%	0.883	72%	0.724	S	S	*	*	S	Bend	trans	-123.4	2.3	-173	-69.5	-169.4	161.9	0	0	116.4
660	G	30.3	Very low	32.7	Very low	48 Å²	48	137 Å²	137	50%	0.495	71%	0.71	S	S	.	*			trans	-99.7	-1	-173.3	0	0	0	0	0	117.4	D662	G660-D662 PolarHBondContact O-N 2.84Å
661	G	35	Very low	33.5	Very low	65 Å²	65	137.1 Å²	137.1	67%	0.67	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-35.9	-160.8	0	0	0	0	0	116.6
662	D	38.2	Very low	34.5	Very low	143 Å²	143	136.4 Å²	136.4	77%	0.765	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-18.4	-169.3	-77.3	-30.5	0	0	0	115.1	G660 S665	G660-D662 PolarHBondContact O-N 2.84Å; D662-S665 PolarHBondContact O-OG 2.95Å; D662-S665 VanDerWaalsContact O-OG 3.11Å
663	R	33.5	Very low	35.6	Very low	210 Å²	210	135 Å²	135	79%	0.792	67%	0.666	S	S	*	*	H	α-helix	trans	-77.4	-30	-179.3	-72.7	-174.8	177.5	-179.3	1.4	112.3	Y667	R663-Y667 WeakPolarHBondContact O-CD2 3.45Å; R663-Y667 PolarHBondContact O-N 3.45Å
664	Q	34.9	Very low	36.3	Very low	130 Å²	130	131.7 Å²	131.7	61%	0.607	66%	0.656	S	S	*	*	H	α-helix	trans	-74.7	-25.6	-177.2	-68.2	-162	-0.8	0	0	114.2	R668	Q664-R668 PolarHBondContact O-N 3.49Å
665	S	39.7	Very low	37.3	Very low	71 Å²	71	129.8 Å²	129.8	50%	0.497	64%	0.641	S	S	.	*	H	α-helix	trans	-68.7	-44.9	178.7	64.1	0	0	0	0	111.5	D662 Y667 R668 E669	D662-S665 PolarHBondContact O-OG 2.95Å; D662-S665 VanDerWaalsContact O-OG 3.11Å; S665-Y667 PolarHBondContact O-N 3.44Å; S665-R668 PolarHBondContact O-N 2.88Å; S665-E669 PolarHBondContact O-N 3.46Å
666	C	42.8	Very low	38.3	Very low	65 Å²	65	132 Å²	132	44%	0.439	64%	0.638	S	S	.	*	H	α-helix	trans	-65.1	-37	178.6	-170.9	0	0	0	0	112.4	K670	C666-K670 WeakPolarHBondContact O-CG 3.01Å; C666-K670 PolarHBondContact O-N 2.91Å
667	Y	36.8	Very low	39.1	Very low	165 Å²	165	125.7 Å²	125.7	65%	0.647	62%	0.622	S	S	*	*	H	α-helix	trans	-67.8	-36.2	176.3	-92.3	-81.7	0	0	0	113	R663 S665 L671	R663-Y667 WeakPolarHBondContact O-CD2 3.45Å; R663-Y667 PolarHBondContact O-N 3.45Å; S665-Y667 PolarHBondContact O-N 3.44Å; Y667-L671 PolarHBondContact O-N 2.76Å; Y667-L671 VanDerWaalsContact O-N 3.1Å
668	R	40.8	Very low	39.6	Very low	176 Å²	176	124.6 Å²	124.6	66%	0.664	61%	0.614	S	S	*	*	H	α-helix	trans	-66.8	-43.6	178.2	-78.4	-175.7	-164	171.6	8.9	112.7	Q664 S665 L671 D672	Q664-R668 PolarHBondContact O-N 3.49Å; S665-R668 PolarHBondContact O-N 2.88Å; R668-L671 PolarHBondContact O-N 3Å; R668-D672 PolarHBondContact O-N 2.93Å
669	E	43.1	Very low	40	Very low	130 Å²	130	128 Å²	128	61%	0.607	61%	0.61	S	S	*	*	H	α-helix	trans	-61.9	-44	176.7	-89.9	-160.4	150.2	0	0	112.1	S665 L671 D672 K673	S665-E669 PolarHBondContact O-N 3.46Å; E669-L671 VanDerWaalsContact C-N 3.28Å; E669-L671 PolarHBondContact O-N 2.84Å; E669-D672 PolarHBondContact O-N 2.82Å; E669-K673 WeakPolarHBondContact O-CB 3.39Å; E669-K673 WeakPolarHBondContact O-CG 3.09Å; E669-K673 PolarHBondContact O-N 2.83Å
670	K	38.7	Very low	40.4	Very low	133 Å²	133	126 Å²	126	58%	0.578	60%	0.598	S	S	*	*	H	α-helix	trans	-60.2	-40.7	177.1	-76.4	-176.4	177.9	-177.4	0	111.3	C666 L674	C666-K670 WeakPolarHBondContact O-CG 3.01Å; C666-K670 PolarHBondContact O-N 2.91Å; K670-L674 WeakPolarHBondContact O-CB 3.33Å; K670-L674 PolarHBondContact O-N 3.45Å
671	L	40.2	Very low	40.8	Very low	85 Å²	85	129.1 Å²	129.1	45%	0.445	60%	0.601	S	S	.	*	H	α-helix	trans	-69.7	-39.7	-179.4	-125.9	113.5	0	0	0	113.3	Y667 R668 E669 L674 R675	Y667-L671 PolarHBondContact O-N 2.76Å; Y667-L671 VanDerWaalsContact O-N 3.1Å; R668-L671 PolarHBondContact O-N 3Å; E669-L671 VanDerWaalsContact C-N 3.28Å; E669-L671 PolarHBondContact O-N 2.84Å; L671-L674 WeakPolarHBondContact O-CB 3.36Å; L671-L674 PolarHBondContact O-N 3Å; L671-R675 WeakPolarHBondContact O-CG 3.5Å; L671-R675 PolarHBondContact O-N 3.21Å
672	D	51.5	Low	40.9	Very low	87 Å²	87	130 Å²	130	47%	0.465	59%	0.591	S	S	.	*	H	α-helix	trans	-73.1	-33.5	178	-87	-14.5	0	0	0	112.3	R668 E669 R675 R676	R668-D672 PolarHBondContact O-N 2.93Å; E669-D672 PolarHBondContact O-N 2.82Å; D672-R675 PolarHBondContact O-N 3.06Å; D672-R675 IonicContact OD1-CZ 3.87Å; D672-R675 IonicContact OD1-NH1 3Å; D672-R675 PolarHBondContact OD1-NH1 3.13Å; D672-R676 PolarHBondContact O-N 2.84Å
673	K	46.5	Very low	40.8	Very low	135 Å²	135	132.1 Å²	132.1	59%	0.587	59%	0.588	S	S	*	*	H	α-helix	trans	-60.7	-45.7	166.9	-77.1	179.4	-179	172.1	0	110.8	E669 R675 R676 L677	E669-K673 WeakPolarHBondContact O-CB 3.39Å; E669-K673 WeakPolarHBondContact O-CG 3.09Å; E669-K673 PolarHBondContact O-N 2.83Å; K673-R675 VanDerWaalsContact C-N 3.34Å; K673-R675 PolarHBondContact O-N 2.94Å; K673-R676 PolarHBondContact O-N 3.06Å; K673-L677 WeakPolarHBondContact O-CB 3.35Å; K673-L677 WeakPolarHBondContact O-CG 2.74Å; K673-L677 PolarHBondContact O-N 3.27Å
674	L	38.5	Very low	40.7	Very low	114 Å²	114	126.7 Å²	126.7	60%	0.597	57%	0.574	S	S	*	*	H	α-helix	trans	-58.5	-41.5	174.3	-97.5	153.5	0	0	0	112.4	K670 L671 L677 H678	K670-L674 WeakPolarHBondContact O-CB 3.33Å; K670-L674 PolarHBondContact O-N 3.45Å; L671-L674 WeakPolarHBondContact O-CB 3.36Å; L671-L674 PolarHBondContact O-N 3Å; L674-L677 CarbonylContact O-C 3.45Å; L674-L677 PolarHBondContact O-N 3.41Å; L674-H678 VanDerWaalsContact O-CB 3.3Å; L674-H678 WeakPolarHBondContact O-CB 3.42Å; L674-H678 PolarHBondContact O-N 3.24Å
675	R	46.2	Very low	40.6	Very low	134 Å²	134	123.3 Å²	123.3	51%	0.506	56%	0.562	S	S	.	*	H	α-helix	trans	-68	-38.9	176.9	-72.1	171.1	-176	168.1	-4	112.9	L671 D672 K673 H678 R679	L671-R675 WeakPolarHBondContact O-CG 3.5Å; L671-R675 PolarHBondContact O-N 3.21Å; D672-R675 PolarHBondContact O-N 3.06Å; D672-R675 IonicContact OD1-CZ 3.87Å; D672-R675 IonicContact OD1-NH1 3Å; D672-R675 PolarHBondContact OD1-NH1 3.13Å; K673-R675 VanDerWaalsContact C-N 3.34Å; K673-R675 PolarHBondContact O-N 2.94Å; R675-H678 PolarHBondContact O-N 3.35Å; R675-R679 WeakPolarHBondContact O-CG 3.36Å; R675-R679 PolarHBondContact O-N 2.77Å
676	R	49.9	Very low	40.2	Very low	196 Å²	196	127.6 Å²	127.6	74%	0.74	57%	0.572	S	S	*	*	H	α-helix	trans	-66.4	-41.2	173.9	-76.3	-176.9	-178.6	178.1	2	111.1	D672 K673 H678 R679 K680	D672-R676 PolarHBondContact O-N 2.84Å; K673-R676 PolarHBondContact O-N 3.06Å; R676-H678 VanDerWaalsContact C-N 3.34Å; R676-R679 PolarHBondContact O-N 2.88Å; R676-K680 WeakPolarHBondContact O-CB 3.49Å; R676-K680 PolarHBondContact O-N 2.77Å
677	L	40.5	Very low	39.6	Very low	108 Å²	108	130.5 Å²	130.5	57%	0.565	58%	0.582	S	S	*	*	H	α-helix	trans	-61.9	-42.9	172.6	-80.4	165.3	0	0	0	110.8	K673 L674 R679 K680 M681	K673-L677 WeakPolarHBondContact O-CB 3.35Å; K673-L677 WeakPolarHBondContact O-CG 2.74Å; K673-L677 PolarHBondContact O-N 3.27Å; L674-L677 CarbonylContact O-C 3.45Å; L674-L677 PolarHBondContact O-N 3.41Å; L677-R679 PolarHBondContact O-N 3.46Å; L677-K680 CarbonylContact O-C 3.43Å; L677-K680 PolarHBondContact O-N 2.85Å; L677-M681 WeakPolarHBondContact O-CB 3.41Å; L677-M681 PolarHBondContact O-N 2.76Å
678	H	39	Very low	39.4	Very low	125 Å²	125	127.4 Å²	127.4	58%	0.579	58%	0.58	S	S	*	*	H	α-helix	trans	-66.9	-38.5	179.1	-154.9	49	0	0	0	112	L674 R675 R676 M681 D682	L674-H678 VanDerWaalsContact O-CB 3.3Å; L674-H678 WeakPolarHBondContact O-CB 3.42Å; L674-H678 PolarHBondContact O-N 3.24Å; R675-H678 PolarHBondContact O-N 3.35Å; R676-H678 VanDerWaalsContact C-N 3.34Å; H678-M681 CarbonylContact O-C 3.56Å; H678-M681 PolarHBondContact O-N 3.33Å; H678-D682 WeakPolarHBondContact O-CB 3.44Å; H678-D682 PolarHBondContact O-N 2.77Å
679	R	43.5	Very low	38.8	Very low	179 Å²	179	124.4 Å²	124.4	68%	0.675	58%	0.575	S	S	*	*	H	α-helix	trans	-67.9	-34.8	171.7	-68.5	-177.6	-151.9	177.6	5.2	113	R675 R676 L677 R683	R675-R679 WeakPolarHBondContact O-CG 3.36Å; R675-R679 PolarHBondContact O-N 2.77Å; R676-R679 PolarHBondContact O-N 2.88Å; L677-R679 PolarHBondContact O-N 3.46Å; R679-R683 WeakPolarHBondContact O-CG 3.41Å; R679-R683 PolarHBondContact O-N 3.08Å
680	K	39.4	Very low	38.5	Very low	146 Å²	146	125.9 Å²	125.9	64%	0.635	58%	0.581	S	S	*	*	H	α-helix	trans	-69.6	-40.5	173	-93.9	-172.5	172.1	-173.4	0	110.9	R676 L677 R683 L684	R676-K680 WeakPolarHBondContact O-CB 3.49Å; R676-K680 PolarHBondContact O-N 2.77Å; L677-K680 CarbonylContact O-C 3.43Å; L677-K680 PolarHBondContact O-N 2.85Å; K680-R683 CarbonylContact O-C 3.42Å; K680-R683 PolarHBondContact O-N 3.16Å; K680-L684 VanDerWaalsContact O-CB 3.28Å; K680-L684 WeakPolarHBondContact O-CB 3.26Å; K680-L684 WeakPolarHBondContact O-CG 3.05Å; K680-L684 PolarHBondContact O-N 2.81Å
681	M	38.2	Very low	38.6	Very low	114 Å²	114	129.2 Å²	129.2	56%	0.562	59%	0.59	S	S	*	*	H	α-helix	trans	-62.5	-44.6	172.5	-112.4	-177.3	157.1	0	0	109.5	L677 H678 R683 L684 T685	L677-M681 WeakPolarHBondContact O-CB 3.41Å; L677-M681 PolarHBondContact O-N 2.76Å; H678-M681 CarbonylContact O-C 3.56Å; H678-M681 PolarHBondContact O-N 3.33Å; M681-R683 VanDerWaalsContact C-N 3.29Å; M681-R683 PolarHBondContact O-N 3.22Å; M681-L684 CarbonylContact O-C 3.58Å; M681-L684 PolarHBondContact O-N 2.82Å; M681-L684 VanDerWaalsContact O-N 3.14Å; M681-T685 WeakPolarHBondContact O-CB 3.22Å; M681-T685 WeakPolarHBondContact O-CG2 3.23Å; M681-T685 PolarHBondContact O-N 3.4Å; M681-T685 PolarHBondContact O-OG1 2.82Å
682	D	37.2	Very low	39	Very low	85 Å²	85	126 Å²	126	46%	0.455	58%	0.575	S	S	.	*	H	α-helix	trans	-62.2	-35.1	175	-103.3	-1	0	0	0	112.9	H678 T685 K686	H678-D682 WeakPolarHBondContact O-CB 3.44Å; H678-D682 PolarHBondContact O-N 2.77Å; D682-T685 VanDerWaalsContact CA-OG1 3.25Å; D682-T685 WeakPolarHBondContact CA-OG1 3.36Å; D682-T685 PolarHBondContact O-OG1 2.75Å; D682-K686 VanDerWaalsContact O-CB 3.22Å; D682-K686 WeakPolarHBondContact O-CB 3.31Å; D682-K686 WeakPolarHBondContact O-CG 3.42Å; D682-K686 PolarHBondContact O-N 3.1Å
683	R	35.8	Very low	39	Very low	187 Å²	187	128 Å²	128	71%	0.706	59%	0.586	S	S	*	*	H	α-helix	trans	-73.3	-39.7	173.4	-76.3	-178.1	179.5	-168.5	-0.7	111.4	R679 K680 M681 K686 I687	R679-R683 WeakPolarHBondContact O-CG 3.41Å; R679-R683 PolarHBondContact O-N 3.08Å; K680-R683 CarbonylContact O-C 3.42Å; K680-R683 PolarHBondContact O-N 3.16Å; M681-R683 VanDerWaalsContact C-N 3.29Å; M681-R683 PolarHBondContact O-N 3.22Å; R683-K686 CarbonylContact O-C 3.59Å; R683-K686 PolarHBondContact O-N 2.69Å; R683-I687 WeakPolarHBondContact O-CB 3.24Å; R683-I687 WeakPolarHBondContact O-CD1 3.19Å; R683-I687 WeakPolarHBondContact O-CG1 2.99Å; R683-I687 PolarHBondContact O-N 3.41Å
684	L	32.4	Very low	39.8	Very low	95 Å²	95	122.3 Å²	122.3	50%	0.497	56%	0.564	S	S	.	*	H	α-helix	trans	-72.2	-42.4	178.4	-79.2	166.3	0	0	0	111	K680 M681 K686 I687 V688	K680-L684 VanDerWaalsContact O-CB 3.28Å; K680-L684 WeakPolarHBondContact O-CB 3.26Å; K680-L684 WeakPolarHBondContact O-CG 3.05Å; K680-L684 PolarHBondContact O-N 2.81Å; M681-L684 CarbonylContact O-C 3.58Å; M681-L684 PolarHBondContact O-N 2.82Å; M681-L684 VanDerWaalsContact O-N 3.14Å; L684-K686 VanDerWaalsContact C-N 3.26Å; L684-K686 PolarHBondContact O-N 3.36Å; L684-I687 CarbonylContact O-C 3.57Å; L684-I687 WeakPolarHBondContact O-CA 3.37Å; L684-I687 PolarHBondContact O-N 2.78Å; L684-V688 WeakPolarHBondContact O-CA 3.39Å; L684-V688 WeakPolarHBondContact O-CB 3.39Å; L684-V688 WeakPolarHBondContact O-CG2 3.43Å; L684-V688 PolarHBondContact O-N 2.87Å
685	T	31.9	Very low	41.6	Very low	59 Å²	59	123.6 Å²	123.6	36%	0.362	57%	0.571	S	S	.	*	H	α-helix	trans	-62.5	-35.2	170.2	52.7	0	0	0	0	110.2	M681 D682 I687 M689	M681-T685 WeakPolarHBondContact O-CB 3.22Å; M681-T685 WeakPolarHBondContact O-CG2 3.23Å; M681-T685 PolarHBondContact O-N 3.4Å; M681-T685 PolarHBondContact O-OG1 2.82Å; D682-T685 VanDerWaalsContact CA-OG1 3.25Å; D682-T685 WeakPolarHBondContact CA-OG1 3.36Å; D682-T685 PolarHBondContact O-OG1 2.75Å; T685-I687 VanDerWaalsContact C-N 3.29Å; T685-I687 PolarHBondContact O-N 3.17Å; T685-M689 WeakPolarHBondContact O-CA 3.32Å; T685-M689 WeakPolarHBondContact O-CB 3.32Å; T685-M689 WeakPolarHBondContact O-CG 3.42Å; T685-M689 PolarHBondContact O-N 3.38Å
686	K	30.4	Very low	43.5	Very low	161 Å²	161	118.6 Å²	118.6	70%	0.7	55%	0.553	S	S	*	*	H	α-helix	trans	-68.3	-21.3	169	-79.7	176.8	179.9	-178.9	0	115	D682 R683 L684	D682-K686 VanDerWaalsContact O-CB 3.22Å; D682-K686 WeakPolarHBondContact O-CB 3.31Å; D682-K686 WeakPolarHBondContact O-CG 3.42Å; D682-K686 PolarHBondContact O-N 3.1Å; R683-K686 CarbonylContact O-C 3.59Å; R683-K686 PolarHBondContact O-N 2.69Å; L684-K686 VanDerWaalsContact C-N 3.26Å; L684-K686 PolarHBondContact O-N 3.36Å
687	I	31.8	Very low	45.4	Very low	126 Å²	126	109.2 Å²	109.2	65%	0.646	52%	0.518	S	S	*	.	H	α-helix	trans	-94.4	-36.6	177.4	-69.1	162.4	0	0	0	111.2	R683 L684 T685	R683-I687 WeakPolarHBondContact O-CB 3.24Å; R683-I687 WeakPolarHBondContact O-CD1 3.19Å; R683-I687 WeakPolarHBondContact O-CG1 2.99Å; R683-I687 PolarHBondContact O-N 3.41Å; L684-I687 CarbonylContact O-C 3.57Å; L684-I687 WeakPolarHBondContact O-CA 3.37Å; L684-I687 PolarHBondContact O-N 2.78Å; T685-I687 VanDerWaalsContact C-N 3.29Å; T685-I687 PolarHBondContact O-N 3.17Å
688	V	31.2	Very low	47.9	Very low	101 Å²	101	104.1 Å²	104.1	61%	0.612	49%	0.491	S	S	*	.	H	α-helix	trans	-87.2	-28.2	-175.4	173.7	0	0	0	0	111	L684 H690	L684-V688 WeakPolarHBondContact O-CA 3.39Å; L684-V688 WeakPolarHBondContact O-CB 3.39Å; L684-V688 WeakPolarHBondContact O-CG2 3.43Å; L684-V688 PolarHBondContact O-N 2.87Å; V688-H690 PolarHBondContact O-N 2.78Å
689	M	29.1	Very low	50.5	Low	112 Å²	112	98.2 Å²	98.2	55%	0.552	46%	0.463	S	S	*	.	S	Bend	trans	-65.6	88.4	153.9	-69.2	-170.1	177	0	0	106.3	T685 R691	T685-M689 WeakPolarHBondContact O-CA 3.32Å; T685-M689 WeakPolarHBondContact O-CB 3.32Å; T685-M689 WeakPolarHBondContact O-CG 3.42Å; T685-M689 PolarHBondContact O-N 3.38Å; M689-R691 PolarHBondContact O-N 3.13Å
690	H	36	Very low	52.9	Low	161 Å²	161	89.7 Å²	89.7	75%	0.745	43%	0.431	S	S	*	.			trans	-37.7	118.9	155.2	-83.9	-86.1	0	0	0	106.9	V688 S692	V688-H690 PolarHBondContact O-N 2.78Å; H690-S692 PolarHBondContact O-N 2.94Å
691	R	41.5	Very low	55.4	Low	203 Å²	203	82.8 Å²	82.8	77%	0.766	40%	0.401	S	S	*	.	S	Bend	trans	-52.6	112.2	-165.4	-70.3	176.6	173.4	178.3	-3	109.8	M689	M689-R691 PolarHBondContact O-N 3.13Å
692	S	49.5	Very low	57.9	Low	19 Å²	19	77.4 Å²	77.4	13%	0.133	38%	0.375	C	S	.	.			trans	82.3	76.2	175.7	75.8	0	0	0	0	117.6	H690 A694 N1017	H690-S692 PolarHBondContact O-N 2.94Å; S692-A694 PolarHBondContact O-N 2.71Å; S692-N1017 PolarHBondContact O-ND2 3.22Å; S692-N1017 PolarHBondContact OG-ND2 3.38Å
693	D	51.5	Low	60.1	Low	129 Å²	129	73.6 Å²	73.6	69%	0.69	36%	0.355	S	S	*	.			trans	-61.4	1.5	153.6	-71.1	-25.8	0	0	0	113	L695	D693-L695 PolarHBondContact O-N 3.11Å
694	A	63.3	Low	62.4	Low	14 Å²	14	68.7 Å²	68.7	12%	0.116	34%	0.34	C	S	.	.			trans	-67.9	124.5	177.1	0	0	0	0	0	109	S692 E696 N1017	S692-A694 PolarHBondContact O-N 2.71Å; A694-E696 PolarHBondContact O-N 3.43Å; A694-N1017 WeakPolarHBondContact O-CB 3.44Å; A694-N1017 PolarHBondContact O-ND2 3.26Å
695	L	74.9	Confident	64.7	Low	142 Å²	142	65 Å²	65	74%	0.743	32%	0.322	S	S	*	.	S	Bend	trans	-69.7	-22.4	175	-68.8	170.2	0	0	0	112.2	D693 N1017	D693-L695 PolarHBondContact O-N 3.11Å; L695-N1017 WeakPolarHBondContact O-CB 3.38Å; L695-N1017 PolarHBondContact O-N 3.3Å
696	E	87.3	Confident	66.7	Low	28 Å²	28	70.3 Å²	70.3	13%	0.131	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145.4	-176.1	-61.1	-179.7	131.9	0	0	111.1	A694 P715 N974 I975 F1014 V1015	A694-E696 PolarHBondContact O-N 3.43Å; E696-P715 WeakPolarHBondContact O-CD 3.42Å; E696-P715 WeakPolarHBondContact O-CG 3.41Å; E696-N974 VanDerWaalsContact OE2-CB 3.24Å; E696-N974 WeakPolarHBondContact OE2-CB 3.34Å; E696-N974 PolarHBondContact OE2-ND2 3.08Å; E696-I975 WeakPolarHBondContact OE1-CB 3.21Å; E696-I975 VanDerWaalsContact OE1-CG2 3.31Å; E696-I975 WeakPolarHBondContact OE1-CG2 3.38Å; E696-I975 PolarHBondContact OE1-N 3.42Å; E696-F1014 HydrophobicContact CB-CD1 4.48Å; E696-V1015 CarbonylContact C-O 3.57Å; E696-V1015 WeakPolarHBondContact CA-O 3.49Å
697	L	89.9	Confident	68.9	Low	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	155.1	167.6	-62.3	-179	0	0	0	110.2	A712 N714 E721 F1014 V1015 N1017 F1021	L697-A712 HydrophobicContact CB-CB 4.32Å; L697-A712 HydrophobicContact CD1-CB 4.01Å; L697-N714 HydrophobicContact CD2-CB 3.95Å; L697-E721 HydrophobicContact CD1-CB 4.21Å; L697-E721 HydrophobicContact CD2-CG 3.97Å; L697-F1014 CarbonylContact O-C 3.51Å; L697-F1014 WeakPolarHBondContact O-CA 3.49Å; L697-V1015 PolarHBondContact N-O 2.69Å; L697-V1015 PolarHBondContact O-N 3.32Å; L697-N1017 WeakPolarHBondContact CD1-OD1 3.28Å; L697-N1017 WeakPolarHBondContact CD2-OD1 3.32Å; L697-N1017 HydrophobicContact CG-CB 4.22Å; L697-N1017 WeakPolarHBondContact CG-OD1 3.42Å; L697-F1021 HydrophobicContact CD1-CB 4.1Å; L697-F1021 HydrophobicContact CD1-CD1 4.18Å; L697-F1021 HydrophobicContact CD1-CD2 3.72Å; L697-F1021 HydrophobicContact CD1-CE2 4.13Å; L697-F1021 HydrophobicContact CD1-CG 3.75Å
698	L	92.8	Very high	71.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	104.5	173.2	-174.2	72.4	0	0	0	109.7	V700 A712 Y713 A981 V989 L991 L1003 A1012 R1013 F1014	L698-V700 HydrophobicContact CD2-CG2 3.93Å; L698-V700 HydrophobicContact CG-CG2 3.91Å; L698-A712 CarbonylContact O-C 3.54Å; L698-A712 WeakPolarHBondContact O-CA 3.39Å; L698-Y713 PolarHBondContact N-O 2.94Å; L698-Y713 PolarHBondContact O-N 3.11Å; L698-A981 HydrophobicContact CD1-CB 3.41Å; L698-A981 VanDerWaalsContact CD1-CB 3.41Å; L698-V989 HydrophobicContact CD2-CG1 3.92Å; L698-L991 HydrophobicContact CD1-CD2 4.47Å; L698-L991 HydrophobicContact CD2-CD2 4Å; L698-L991 HydrophobicContact CD2-CG 4.38Å; L698-L1003 HydrophobicContact CD2-CD1 4.35Å; L698-A1012 HydrophobicContact CD1-CB 4.3Å; L698-R1013 CarbonylContact C-O 3.54Å; L698-R1013 WeakPolarHBondContact CA-O 3.44Å; L698-F1014 HydrophobicContact CD1-CD1 4.13Å; L698-F1014 HydrophobicContact CD1-CE1 4.07Å; L698-F1014 HydrophobicContact CD1-CE2 4.49Å; L698-F1014 HydrophobicContact CD1-CG 4.38Å; L698-F1014 HydrophobicContact CD1-CZ 4.26Å
699	L	93.4	Very high	74	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	121.9	172.5	-173.6	65.6	0	0	0	109.6	V710 A712 A737 V745 A1012 R1013 V1015	L699-V710 HydrophobicContact CD1-CG1 3.9Å; L699-A712 HydrophobicContact CD1-CB 4.25Å; L699-A737 HydrophobicContact CD2-CB 4.09Å; L699-V745 HydrophobicContact CD2-CG1 4.5Å; L699-A1012 WeakPolarHBondContact O-CA 3.48Å; L699-R1013 PolarHBondContact N-O 2.91Å; L699-R1013 PolarHBondContact O-N 3.5Å; L699-V1015 HydrophobicContact CB-CG2 3.78Å; L699-V1015 HydrophobicContact CD2-CG2 4.25Å
700	V	93.5	Very high	77	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.8	-177.4	177.6	0	0	0	0	110.1	L698 V710 A711 Y713 V989 F1005 M1011 A1012	L698-V700 HydrophobicContact CD2-CG2 3.93Å; L698-V700 HydrophobicContact CG-CG2 3.91Å; V700-V710 WeakPolarHBondContact O-CA 3.34Å; V700-A711 PolarHBondContact N-O 2.93Å; V700-A711 PolarHBondContact O-N 2.91Å; V700-Y713 HydrophobicContact CB-CD2 4.05Å; V700-Y713 HydrophobicContact CB-CE2 3.9Å; V700-Y713 HydrophobicContact CG2-CD2 3.79Å; V700-Y713 HydrophobicContact CG2-CE2 4.11Å; V700-V989 HydrophobicContact CG1-CG2 3.77Å; V700-V989 HydrophobicContact CG2-CG1 4.29Å; V700-V989 HydrophobicContact CG2-CG2 4.36Å; V700-F1005 HydrophobicContact CG1-CE2 3.9Å; V700-F1005 HydrophobicContact CG1-CZ 3.89Å; V700-M1011 WeakPolarHBondContact CA-O 3.37Å; V700-A1012 HydrophobicContact CG2-CB 4.27Å
701	C	92.1	Very high	79.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	116.7	167.1	-69.7	0	0	0	0	110.1	P709 A737 T1010 M1011	C701-P709 CarbonylContact C-O 3.57Å; C701-P709 WeakPolarHBondContact CA-O 3.33Å; C701-A737 WeakPolarHBondContact SG-CB 3.17Å; C701-T1010 WeakPolarHBondContact CB-OG1 3.32Å; C701-T1010 PolarHBondContact O-N 3.44Å; C701-T1010 PolarHBondContact O-OG1 3.14Å; C701-M1011 HydrophobicContact CB-CB 4.4Å; C701-M1011 HydrophobicContact CB-CE 4.16Å; C701-M1011 PolarHBondContact N-O 3.3Å; C701-M1011 WeakPolarHBondContact SG-CE 3.29Å
702	A	90.1	Very high	81.9	Confident	1 Å²	1	34 Å²	34	1%	0.008	18%	0.184	C	C	.	.			trans	-124.3	86.6	176.7	0	0	0	0	0	108.2	Q704 C705 P709 F1005	A702-Q704 VanDerWaalsContact C-N 3.29Å; A702-Q704 PolarHBondContact O-N 3.44Å; A702-C705 HydrophobicContact CB-CB 3.89Å; A702-C705 VanDerWaalsContact O-CB 3.32Å; A702-C705 WeakPolarHBondContact O-CB 3.3Å; A702-C705 PolarHBondContact O-N 3.26Å; A702-P709 PolarHBondContact N-O 3Å; A702-P709 WeakPolarHBondContact O-CA 3.32Å; A702-F1005 HydrophobicContact CB-CB 3.98Å; A702-F1005 HydrophobicContact CB-CD1 3.81Å; A702-F1005 HydrophobicContact CB-CD2 4.43Å; A702-F1005 HydrophobicContact CB-CE1 4.42Å; A702-F1005 HydrophobicContact CB-CG 3.8Å
703	P	84.7	Confident	83.8	Confident	6 Å²	6	34 Å²	34	4%	0.039	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-39.7	-168.8	16.3	-33	0	0	0	115.4	C705 E733 F750 Q1008 T1010	P703-C705 VanDerWaalsContact C-N 3.32Å; P703-C705 PolarHBondContact O-N 3.37Å; P703-E733 HydrophobicContact CB-CB 3.63Å; P703-E733 HydrophobicContact CB-CG 4.03Å; P703-F750 HydrophobicContact CB-CD2 4.43Å; P703-F750 HydrophobicContact CB-CE2 4.15Å; P703-F750 HydrophobicContact CG-CE2 4.11Å; P703-Q1008 WeakPolarHBondContact CD-O 3.46Å; P703-T1010 HydrophobicContact CG-CG2 3.62Å
704	Q	82.7	Confident	85.4	Confident	83 Å²	83	28 Å²	28	39%	0.388	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-7.6	-175.6	-69.4	175.7	7.9	0	0	113.2	A702 K706 E1006	A702-Q704 VanDerWaalsContact C-N 3.29Å; A702-Q704 PolarHBondContact O-N 3.44Å; Q704-K706 PolarHBondContact O-N 3.02Å; Q704-E1006 CarbonylContact C-O 3.59Å; Q704-E1006 WeakPolarHBondContact CB-O 3.44Å
705	C	81.8	Confident	86.3	Confident	18 Å²	18	28.3 Å²	28.3	12%	0.122	15%	0.149	C	C	.	.			trans	-75.5	105.6	176.3	-176.1	0	0	0	0	110.3	A702 P703 A707 P709 E1006	A702-C705 HydrophobicContact CB-CB 3.89Å; A702-C705 VanDerWaalsContact O-CB 3.32Å; A702-C705 WeakPolarHBondContact O-CB 3.3Å; A702-C705 PolarHBondContact O-N 3.26Å; P703-C705 VanDerWaalsContact C-N 3.32Å; P703-C705 PolarHBondContact O-N 3.37Å; C705-A707 VanDerWaalsContact C-N 3.32Å; C705-A707 PolarHBondContact O-N 3.43Å; C705-P709 WeakPolarHBondContact O-CA 3.48Å; C705-P709 VanDerWaalsContact O-CD 3.26Å; C705-P709 WeakPolarHBondContact O-CD 3.45Å; C705-E1006 PolarHBondContact N-O 3.37Å
706	K	73.5	Confident	86.6	Confident	170 Å²	170	26.3 Å²	26.3	74%	0.739	14%	0.143	S	C	*	.	S	Bend	trans	-64.9	-32	-177.2	-67.5	-178	-179.3	175.1	0	114.3	Q704 S726	Q704-K706 PolarHBondContact O-N 3.02Å; K706-S726 PolarHBondContact O-OG 2.86Å
707	A	76.6	Confident	86.1	Confident	63 Å²	63	28.7 Å²	28.7	52%	0.521	16%	0.157	S	C	.	.	S	Bend	trans	-73.8	-54.6	-175.3	0	0	0	0	0	110.9	C705	C705-A707 VanDerWaalsContact C-N 3.32Å; C705-A707 PolarHBondContact O-N 3.43Å
708	N	84.6	Confident	85.6	Confident	40 Å²	40	29.5 Å²	29.5	21%	0.214	17%	0.165	C	C	.	.			trans	-139.9	77.2	-172.9	-64.3	-26.7	0	0	0	109.5	V710 A711 S723	N708-V710 VanDerWaalsContact C-N 3.28Å; N708-V710 PolarHBondContact O-N 3.18Å; N708-A711 HydrophobicContact CB-CB 4.18Å; N708-S723 WeakPolarHBondContact OD1-CB 3.24Å
709	P	85.9	Confident	85.2	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-64.8	-30.6	179.5	28.5	-41.4	0	0	0	113.3	C701 A702 C705 L724 S726 L729 P734	C701-P709 CarbonylContact C-O 3.57Å; C701-P709 WeakPolarHBondContact CA-O 3.33Å; A702-P709 PolarHBondContact N-O 3Å; A702-P709 WeakPolarHBondContact O-CA 3.32Å; C705-P709 WeakPolarHBondContact O-CA 3.48Å; C705-P709 VanDerWaalsContact O-CD 3.26Å; C705-P709 WeakPolarHBondContact O-CD 3.45Å; P709-L724 WeakPolarHBondContact CD-O 3.45Å; P709-L724 WeakPolarHBondContact CG-O 3.36Å; P709-S726 WeakPolarHBondContact CG-OG 3.5Å; P709-L729 HydrophobicContact CG-CD1 4.17Å; P709-P734 HydrophobicContact CB-CG 3.8Å
710	V	90.5	Very high	84.7	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.4	168.5	-173.4	0	0	0	0	108.5	L699 V700 N708 W722 S723 L724 L729 P734 A737 V747	L699-V710 HydrophobicContact CD1-CG1 3.9Å; V700-V710 WeakPolarHBondContact O-CA 3.34Å; N708-V710 VanDerWaalsContact C-N 3.28Å; N708-V710 PolarHBondContact O-N 3.18Å; V710-W722 HydrophobicContact CG1-CZ3 4.17Å; V710-S723 CarbonylContact O-C 3.55Å; V710-S723 WeakPolarHBondContact O-CA 3.42Å; V710-L724 HydrophobicContact CB-CB 4.1Å; V710-L724 PolarHBondContact O-N 2.76Å; V710-L729 HydrophobicContact CG2-CD1 4.35Å; V710-P734 HydrophobicContact CG2-CB 3.68Å; V710-P734 HydrophobicContact CG2-CG 3.7Å; V710-A737 HydrophobicContact CG1-CB 4Å; V710-V747 HydrophobicContact CG2-CG1 4.12Å; V710-V747 HydrophobicContact CG2-CG2 4.47Å
711	A	90.3	Very high	84.2	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	145.6	178.4	0	0	0	0	0	112.7	V700 N708 Y713 V720 W722	V700-A711 PolarHBondContact N-O 2.93Å; V700-A711 PolarHBondContact O-N 2.91Å; N708-A711 HydrophobicContact CB-CB 4.18Å; A711-Y713 HydrophobicContact CB-CD2 4.26Å; A711-Y713 HydrophobicContact CB-CE2 3.47Å; A711-Y713 VanDerWaalsContact CB-CE2 3.47Å; A711-Y713 WeakPolarHBondContact O-CD2 3.46Å; A711-V720 HydrophobicContact CB-CG1 4.19Å; A711-W722 CarbonylContact C-O 3.6Å; A711-W722 WeakPolarHBondContact CA-O 3.3Å; A711-W722 WeakPolarHBondContact CB-O 3.31Å
712	A	90.4	Very high	84	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.5	171.2	0	0	0	0	0	109.2	L697 L698 L699 E721 W722 F1021	L697-A712 HydrophobicContact CB-CB 4.32Å; L697-A712 HydrophobicContact CD1-CB 4.01Å; L698-A712 CarbonylContact O-C 3.54Å; L698-A712 WeakPolarHBondContact O-CA 3.39Å; L699-A712 HydrophobicContact CD1-CB 4.25Å; A712-E721 PolarHBondContact O-N 3.47Å; A712-W722 HydrophobicContact CB-CB 4.05Å; A712-W722 PolarHBondContact N-O 3.28Å; A712-W722 PolarHBondContact O-N 2.81Å; A712-F1021 HydrophobicContact CB-CD1 4.18Å; A712-F1021 HydrophobicContact CB-CE1 3.85Å; A712-F1021 HydrophobicContact CB-CZ 4.5Å
713	Y	89.5	Confident	83.9	Confident	19 Å²	19	36.4 Å²	36.4	8%	0.075	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	140.7	-179.6	-65	-96.6	0	0	0	109.8	L698 V700 A711 P715 A719 V720 L1003 F1005	L698-Y713 PolarHBondContact N-O 2.94Å; L698-Y713 PolarHBondContact O-N 3.11Å; V700-Y713 HydrophobicContact CB-CD2 4.05Å; V700-Y713 HydrophobicContact CB-CE2 3.9Å; V700-Y713 HydrophobicContact CG2-CD2 3.79Å; V700-Y713 HydrophobicContact CG2-CE2 4.11Å; A711-Y713 HydrophobicContact CB-CD2 4.26Å; A711-Y713 HydrophobicContact CB-CE2 3.47Å; A711-Y713 VanDerWaalsContact CB-CE2 3.47Å; A711-Y713 WeakPolarHBondContact O-CD2 3.46Å; Y713-P715 WeakPolarHBondContact O-CD 3.41Å; Y713-A719 CarbonylContact C-O 3.55Å; Y713-A719 VanDerWaalsContact CA-O 3.29Å; Y713-A719 WeakPolarHBondContact CA-O 3.41Å; Y713-V720 HydrophobicContact CD1-CG2 3.75Å; Y713-V720 HydrophobicContact CE1-CB 4.45Å; Y713-V720 HydrophobicContact CE1-CG2 3.23Å; Y713-L1003 HydrophobicContact CD1-CD1 4.07Å; Y713-L1003 HydrophobicContact CD2-CD1 4.41Å; Y713-L1003 HydrophobicContact CG-CD1 4.03Å; Y713-F1005 HydrophobicContact CE1-CZ 4.46Å; Y713-F1005 HydrophobicContact CE2-CE1 4.31Å; Y713-F1005 AromaticContact CE2-CZ 3.97Å; Y713-F1005 HydrophobicContact CE2-CZ 3.97Å; Y713-F1005 AromaticContact CZ-CE1 3.85Å; Y713-F1005 AromaticContact CZ-CZ 3.79Å; Y713-F1005 VanDerWaalsContact OH-CE1 3.29Å; Y713-F1005 WeakPolarHBondContact OH-CE1 3.39Å
714	N	86.5	Confident	84	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.016	21%	0.209	C	C	.	.			trans	-75.9	121.7	168	174.8	-17.2	0	0	0	109.1	L697 T716 N717 G718 A719 E721	L697-N714 HydrophobicContact CD2-CB 3.95Å; N714-T716 PolarHBondContact O-N 2.89Å; N714-T716 PolarHBondContact OD1-N 3.1Å; N714-T716 PolarHBondContact OD1-OG1 3.18Å; N714-N717 WeakPolarHBondContact CB-OD1 3.46Å; N714-N717 VanDerWaalsContact CG-OD1 3.31Å; N714-G718 WeakPolarHBondContact O-CA 3.11Å; N714-G718 PolarHBondContact O-N 2.95Å; N714-A719 PolarHBondContact N-O 3.32Å; N714-E721 HydrophobicContact CB-CG 4.01Å
715	P	82.4	Confident	84.2	Confident	19 Å²	19	40.1 Å²	40.1	12%	0.123	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.9	-173.7	25.9	-34.4	0	0	0	113	E696 Y713 L991 F1014	E696-P715 WeakPolarHBondContact O-CD 3.42Å; E696-P715 WeakPolarHBondContact O-CG 3.41Å; Y713-P715 WeakPolarHBondContact O-CD 3.41Å; P715-L991 HydrophobicContact CB-CD1 4.01Å; P715-F1014 HydrophobicContact CB-CE1 4.13Å; P715-F1014 HydrophobicContact CG-CE1 4.45Å
716	T	79.3	Confident	84.1	Confident	100 Å²	100	40.3 Å²	40.3	61%	0.613	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-47.5	-176.8	64.4	0	0	0	0	112.2	N714 R1001	N714-T716 PolarHBondContact O-N 2.89Å; N714-T716 PolarHBondContact OD1-N 3.1Å; N714-T716 PolarHBondContact OD1-OG1 3.18Å; T716-R1001 PolarHBondContact O-NH2 2.85Å
717	N	78.5	Confident	84.2	Confident	79 Å²	79	36.2 Å²	36.2	42%	0.422	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-12.3	-173.9	67.6	10	0	0	0	113.6	N714 A719 R1001	N714-N717 WeakPolarHBondContact CB-OD1 3.46Å; N714-N717 VanDerWaalsContact CG-OD1 3.31Å; N717-A719 VanDerWaalsContact C-N 3.26Å; N717-A719 PolarHBondContact O-N 3.48Å; N717-A719 VanDerWaalsContact OD1-CB 3.28Å; N717-A719 WeakPolarHBondContact OD1-CB 3.39Å; N717-A719 PolarHBondContact OD1-N 3Å; N717-R1001 VanDerWaalsContact C-CZ 3.41Å; N717-R1001 VanDerWaalsContact C-NH2 3.32Å; N717-R1001 VanDerWaalsContact O-CZ 3.3Å; N717-R1001 PolarHBondContact O-NH1 3.31Å; N717-R1001 PolarHBondContact O-NH2 3.29Å
718	G	79.6	Confident	84.4	Confident	17 Å²	17	35.3 Å²	35.3	18%	0.175	21%	0.207	C	C	.	.			trans	69	15.4	-176.2	0	0	0	0	0	114.9	N714	N714-G718 WeakPolarHBondContact O-CA 3.11Å; N714-G718 PolarHBondContact O-N 2.95Å
719	A	82.7	Confident	84.1	Confident	40 Å²	40	33.4 Å²	33.4	33%	0.331	20%	0.196	S	C	.	.			trans	-74.1	142.9	177.2	0	0	0	0	0	110.7	Y713 N714 N717 E721	Y713-A719 CarbonylContact C-O 3.55Å; Y713-A719 VanDerWaalsContact CA-O 3.29Å; Y713-A719 WeakPolarHBondContact CA-O 3.41Å; N714-A719 PolarHBondContact N-O 3.32Å; N717-A719 VanDerWaalsContact C-N 3.26Å; N717-A719 PolarHBondContact O-N 3.48Å; N717-A719 VanDerWaalsContact OD1-CB 3.28Å; N717-A719 WeakPolarHBondContact OD1-CB 3.39Å; N717-A719 PolarHBondContact OD1-N 3Å; A719-E721 PolarHBondContact O-N 3.11Å
720	V	84.1	Confident	83.7	Confident	55 Å²	55	37.6 Å²	37.6	33%	0.333	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	111.3	170.4	179.2	0	0	0	0	108.3	A711 Y713 W722	A711-V720 HydrophobicContact CB-CG1 4.19Å; Y713-V720 HydrophobicContact CD1-CG2 3.75Å; Y713-V720 HydrophobicContact CE1-CB 4.45Å; Y713-V720 HydrophobicContact CE1-CG2 3.23Å; V720-W722 WeakPolarHBondContact CG1-O 3.21Å
721	E	82.4	Confident	83	Confident	21 Å²	21	40.3 Å²	40.3	10%	0.098	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-38.8	174.1	-62.5	-62.6	169.6	0	0	110.2	L697 A712 N714 A719 R762	L697-E721 HydrophobicContact CD1-CB 4.21Å; L697-E721 HydrophobicContact CD2-CG 3.97Å; A712-E721 PolarHBondContact O-N 3.47Å; N714-E721 HydrophobicContact CB-CG 4.01Å; A719-E721 PolarHBondContact O-N 3.11Å; E721-R762 PolarHBondContact O-NH2 2.81Å
722	W	87.2	Confident	82.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.5	-179.8	-175.3	98.1	0	0	0	111.7	V710 A711 A712 V720 L724 V745 V758 L760 R765 F1021	V710-W722 HydrophobicContact CG1-CZ3 4.17Å; A711-W722 CarbonylContact C-O 3.6Å; A711-W722 WeakPolarHBondContact CA-O 3.3Å; A711-W722 WeakPolarHBondContact CB-O 3.31Å; A712-W722 HydrophobicContact CB-CB 4.05Å; A712-W722 PolarHBondContact N-O 3.28Å; A712-W722 PolarHBondContact O-N 2.81Å; V720-W722 WeakPolarHBondContact CG1-O 3.21Å; W722-L724 HydrophobicContact CH2-CB 4.08Å; W722-L724 HydrophobicContact CZ3-CB 4.26Å; W722-V745 HydrophobicContact CH2-CB 4.18Å; W722-V745 HydrophobicContact CH2-CG1 4.38Å; W722-V745 HydrophobicContact CH2-CG2 4.15Å; W722-V745 HydrophobicContact CZ2-CG2 4.4Å; W722-V758 HydrophobicContact CZ2-CG1 4.45Å; W722-L760 HydrophobicContact CD2-CD2 4.28Å; W722-L760 HydrophobicContact CZ2-CD2 4.17Å; W722-L760 PolarHBondContact NE1-O 3.39Å; W722-R765 VanDerWaalsContact CE2-NH2 3.31Å; W722-F1021 HydrophobicContact CB-CD1 3.53Å; W722-F1021 HydrophobicContact CB-CE1 4.2Å; W722-F1021 HydrophobicContact CD2-CD1 4.33Å; W722-F1021 HydrophobicContact CD2-CE1 4.37Å; W722-F1021 AromaticContact CG-CD1 3.74Å; W722-F1021 HydrophobicContact CG-CD1 3.74Å; W722-F1021 HydrophobicContact CG-CE1 4.24Å
723	S	88.3	Confident	82.5	Confident	31 Å²	31	47.8 Å²	47.8	22%	0.217	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	154.4	177.7	50.3	0	0	0	0	112.1	N708 V710 R765	N708-S723 WeakPolarHBondContact OD1-CB 3.24Å; V710-S723 CarbonylContact O-C 3.55Å; V710-S723 WeakPolarHBondContact O-CA 3.42Å; S723-R765 PolarHBondContact O-NH1 3.32Å; S723-R765 PolarHBondContact O-NH2 3.38Å
724	L	87.8	Confident	82.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.4	171.9	-169	66.5	0	0	0	107.8	P709 V710 W722 D728 L729 V747 V758	P709-L724 WeakPolarHBondContact CD-O 3.45Å; P709-L724 WeakPolarHBondContact CG-O 3.36Å; V710-L724 HydrophobicContact CB-CB 4.1Å; V710-L724 PolarHBondContact O-N 2.76Å; W722-L724 HydrophobicContact CH2-CB 4.08Å; W722-L724 HydrophobicContact CZ3-CB 4.26Å; L724-D728 HydrophobicContact CD1-CB 3.52Å; L724-D728 WeakPolarHBondContact CD1-OD2 3.33Å; L724-D728 HydrophobicContact CG-CB 3.99Å; L724-L729 HydrophobicContact CD2-CD1 3.99Å; L724-L729 HydrophobicContact CD2-CD2 3.59Å; L724-L729 HydrophobicContact CD2-CG 3.71Å; L724-L729 HydrophobicContact CG-CG 4.3Å; L724-V747 HydrophobicContact CD2-CG2 4.17Å; L724-V758 HydrophobicContact CD1-CG1 3.98Å; L724-V758 HydrophobicContact CD1-CG2 4.28Å; L724-V758 HydrophobicContact CD2-CG2 4.26Å
725	R	85.7	Confident	82.5	Confident	167 Å²	167	47.5 Å²	47.5	63%	0.63	28%	0.282	S	S	*	.			trans	-91.7	155.3	-179.1	-63.5	-179.2	-178.7	171.8	1.3	110.5	A727 D728	R725-A727 PolarHBondContact O-N 3.38Å; R725-A727 VanDerWaalsContact O-N 3.14Å; R725-D728 PolarHBondContact N-OD2 3.06Å; R725-D728 VanDerWaalsContact N-OD2 3.12Å; R725-D728 WeakPolarHBondContact O-CB 3.35Å; R725-D728 PolarHBondContact O-N 2.82Å
726	S	80.2	Confident	82.9	Confident	23 Å²	23	47 Å²	47	16%	0.161	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.2	176.4	-51.8	0	0	0	0	112.7	K706 P709 D728 L729 L730 G731	K706-S726 PolarHBondContact O-OG 2.86Å; P709-S726 WeakPolarHBondContact CG-OG 3.5Å; S726-D728 VanDerWaalsContact C-N 3.26Å; S726-D728 PolarHBondContact O-N 3.33Å; S726-L729 CarbonylContact O-C 3.48Å; S726-L729 PolarHBondContact O-N 3.08Å; S726-L729 VanDerWaalsContact O-N 3.1Å; S726-L730 PolarHBondContact O-N 3.17Å; S726-G731 WeakPolarHBondContact O-CA 3.4Å; S726-G731 PolarHBondContact O-N 3.31Å
727	A	75.8	Confident	83.5	Confident	84 Å²	84	42.3 Å²	42.3	69%	0.694	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-32.1	174.9	0	0	0	0	0	113.3	R725 L729 L730	R725-A727 PolarHBondContact O-N 3.38Å; R725-A727 VanDerWaalsContact O-N 3.14Å; A727-L729 VanDerWaalsContact C-N 3.26Å; A727-L729 PolarHBondContact O-N 3Å; A727-L730 PolarHBondContact O-N 2.78Å
728	D	79.9	Confident	84.2	Confident	44 Å²	44	39.1 Å²	39.1	24%	0.235	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-28.9	177	-58.7	-38	0	0	0	111	L724 R725 S726 L730 R765 Q767	L724-D728 HydrophobicContact CD1-CB 3.52Å; L724-D728 WeakPolarHBondContact CD1-OD2 3.33Å; L724-D728 HydrophobicContact CG-CB 3.99Å; R725-D728 PolarHBondContact N-OD2 3.06Å; R725-D728 VanDerWaalsContact N-OD2 3.12Å; R725-D728 WeakPolarHBondContact O-CB 3.35Å; R725-D728 PolarHBondContact O-N 2.82Å; S726-D728 VanDerWaalsContact C-N 3.26Å; S726-D728 PolarHBondContact O-N 3.33Å; D728-L730 VanDerWaalsContact C-N 3.34Å; D728-R765 IonicContact OD2-NH1 3.82Å; D728-Q767 PolarHBondContact O-OE1 2.92Å; D728-Q767 VanDerWaalsContact O-OE1 3.08Å
729	L	79.3	Confident	84.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	21.4	177.1	-63.4	176	0	0	0	113.3	P709 V710 L724 S726 A727 G731 F732 P734 V747 H756	P709-L729 HydrophobicContact CG-CD1 4.17Å; V710-L729 HydrophobicContact CG2-CD1 4.35Å; L724-L729 HydrophobicContact CD2-CD1 3.99Å; L724-L729 HydrophobicContact CD2-CD2 3.59Å; L724-L729 HydrophobicContact CD2-CG 3.71Å; L724-L729 HydrophobicContact CG-CG 4.3Å; S726-L729 CarbonylContact O-C 3.48Å; S726-L729 PolarHBondContact O-N 3.08Å; S726-L729 VanDerWaalsContact O-N 3.1Å; A727-L729 VanDerWaalsContact C-N 3.26Å; A727-L729 PolarHBondContact O-N 3Å; L729-G731 PolarHBondContact O-N 2.81Å; L729-G731 VanDerWaalsContact O-N 3.11Å; L729-F732 WeakPolarHBondContact O-CD2 2.93Å; L729-F732 PolarHBondContact O-N 2.85Å; L729-P734 HydrophobicContact CD1-CB 3.95Å; L729-P734 HydrophobicContact CD1-CG 3.98Å; L729-V747 HydrophobicContact CD1-CG1 4.41Å; L729-V747 HydrophobicContact CD2-CB 4.37Å; L729-V747 HydrophobicContact CD2-CG1 4.06Å; L729-H756 HydrophobicContact CD2-CB 4.04Å
730	L	76.7	Confident	84.7	Confident	88 Å²	88	38.3 Å²	38.3	46%	0.461	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	20.9	-178.2	-60.3	169.1	0	0	0	114.3	S726 A727 D728 F732 K769	S726-L730 PolarHBondContact O-N 3.17Å; A727-L730 PolarHBondContact O-N 2.78Å; D728-L730 VanDerWaalsContact C-N 3.34Å; L730-F732 VanDerWaalsContact C-N 3.26Å; L730-F732 HydrophobicContact CB-CD2 3.7Å; L730-F732 HydrophobicContact CB-CE2 3.75Å; L730-F732 HydrophobicContact CD1-CE2 4.22Å; L730-F732 PolarHBondContact O-N 2.84Å; L730-K769 HydrophobicContact CD1-CD 4.4Å
731	G	76	Confident	84.5	Confident	57 Å²	57	37.6 Å²	37.6	59%	0.588	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.4	1.8	-176.3	0	0	0	0	0	114.4	S726 L729	S726-G731 WeakPolarHBondContact O-CA 3.4Å; S726-G731 PolarHBondContact O-N 3.31Å; L729-G731 PolarHBondContact O-N 2.81Å; L729-G731 VanDerWaalsContact O-N 3.11Å
732	F	83.7	Confident	84.3	Confident	74 Å²	74	43 Å²	43	33%	0.325	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-82.2	156.9	176.9	-58.7	-68	0	0	0	112.6	L729 L730 V749 Q752 I754	L729-F732 WeakPolarHBondContact O-CD2 2.93Å; L729-F732 PolarHBondContact O-N 2.85Å; L730-F732 VanDerWaalsContact C-N 3.26Å; L730-F732 HydrophobicContact CB-CD2 3.7Å; L730-F732 HydrophobicContact CB-CE2 3.75Å; L730-F732 HydrophobicContact CD1-CE2 4.22Å; L730-F732 PolarHBondContact O-N 2.84Å; F732-V749 HydrophobicContact CB-CG1 3.25Å; F732-V749 HydrophobicContact CD2-CG1 4.46Å; F732-V749 HydrophobicContact CG-CG1 3.97Å; F732-Q752 HydrophobicContact CD1-CG 3.8Å; F732-Q752 HydrophobicContact CD2-CG 4.46Å; F732-Q752 HydrophobicContact CE1-CG 3.91Å; F732-Q752 HydrophobicContact CG-CG 4.1Å; F732-Q752 HydrophobicContact CZ-CG 4.31Å; F732-I754 HydrophobicContact CE2-CD1 4.29Å
733	E	86.5	Confident	83.9	Confident	82 Å²	82	43.5 Å²	43.5	38%	0.383	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-83.4	122.5	-178.7	-69.5	-168.7	176.7	0	0	111.3	P703 F750	P703-E733 HydrophobicContact CB-CB 3.63Å; P703-E733 HydrophobicContact CB-CG 4.03Å; E733-F750 HydrophobicContact CB-CD2 3.99Å; E733-F750 PolarHBondContact O-N 2.82Å
734	P	88.8	Confident	83.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	136.8	175.4	28.6	-37.5	0	0	0	112.2	P709 V710 L729 V747 S748 F750	P709-P734 HydrophobicContact CB-CG 3.8Å; V710-P734 HydrophobicContact CG2-CB 3.68Å; V710-P734 HydrophobicContact CG2-CG 3.7Å; L729-P734 HydrophobicContact CD1-CB 3.95Å; L729-P734 HydrophobicContact CD1-CG 3.98Å; P734-V747 HydrophobicContact CB-CG1 3.71Å; P734-S748 WeakPolarHBondContact CA-O 3.3Å; P734-F750 VanDerWaalsContact O-CE2 3.24Å; P734-F750 WeakPolarHBondContact O-CE2 3.46Å
735	A	87.6	Confident	83.8	Confident	17 Å²	17	42.9 Å²	42.9	14%	0.14	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-57.5	177.2	0	0	0	0	0	112.2	S748 F750 T1010	A735-S748 PolarHBondContact N-O 3.21Å; A735-F750 VanDerWaalsContact CA-CE2 3.41Å; A735-F750 HydrophobicContact CB-CD1 3.71Å; A735-F750 HydrophobicContact CB-CD2 3.88Å; A735-F750 HydrophobicContact CB-CE1 3.64Å; A735-F750 HydrophobicContact CB-CE2 3.84Å; A735-F750 HydrophobicContact CB-CG 3.82Å; A735-F750 HydrophobicContact CB-CZ 3.71Å; A735-T1010 WeakPolarHBondContact O-CB 3.35Å; A735-T1010 PolarHBondContact O-OG1 2.99Å
736	D	91.1	Very high	84.1	Confident	9 Å²	9	35 Å²	35	5%	0.048	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149.2	-176.2	-167.4	-28.6	0	0	0	109	S748 F779 R819	D736-S748 WeakPolarHBondContact CB-OG 3.32Å; D736-S748 PolarHBondContact N-OG 3.47Å; D736-S748 PolarHBondContact O-N 2.99Å; D736-S748 PolarHBondContact O-OG 2.54Å; D736-F779 HydrophobicContact CB-CD1 4.4Å; D736-F779 HydrophobicContact CB-CE1 3.82Å; D736-R819 IonicContact OD2-CZ 3.13Å; D736-R819 IonicContact OD2-NH1 2.91Å; D736-R819 PolarHBondContact OD2-NH1 3.3Å; D736-R819 IonicContact OD2-NH2 3.43Å
737	A	92.4	Very high	84.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	134.2	180	0	0	0	0	0	111.7	L699 C701 V710 V745 V746 V747 M1011	L699-A737 HydrophobicContact CD2-CB 4.09Å; C701-A737 WeakPolarHBondContact SG-CB 3.17Å; V710-A737 HydrophobicContact CG1-CB 4Å; A737-V745 HydrophobicContact CB-CG1 4.31Å; A737-V746 CarbonylContact C-O 3.58Å; A737-V746 WeakPolarHBondContact CA-O 3.37Å; A737-V747 HydrophobicContact CB-CG2 3.98Å; A737-M1011 HydrophobicContact CB-CE 3.94Å; A737-M1011 WeakPolarHBondContact O-CE 3.41Å
738	Q	91.6	Very high	85.3	Confident	12 Å²	12	30.1 Å²	30.1	6%	0.056	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.1	-179.1	-57.9	-174.3	12.1	0	0	110.8	V745 V746 F779 L781	Q738-V745 WeakPolarHBondContact O-CA 3.37Å; Q738-V746 PolarHBondContact N-O 2.94Å; Q738-V746 PolarHBondContact O-N 3.03Å; Q738-F779 HydrophobicContact CB-CE2 3.86Å; Q738-F779 HydrophobicContact CB-CZ 4.06Å; Q738-F779 HydrophobicContact CG-CE2 3.78Å; Q738-F779 HydrophobicContact CG-CZ 3.76Å; Q738-F779 PolarHBondContact NE2-O 2.92Å; Q738-L781 HydrophobicContact CB-CD1 3.78Å
739	L	90.1	Very high	85.7	Confident	30 Å²	30	28.1 Å²	28.1	16%	0.157	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	124.3	175.5	-176	72	0	0	0	109.3	G741 H744 V745 L760 L781 V1015 P1016 V1018 F1021	L739-G741 VanDerWaalsContact CD2-O 3.31Å; L739-G741 WeakPolarHBondContact CD2-O 3.46Å; L739-G741 WeakPolarHBondContact CG-O 3.41Å; L739-H744 WeakPolarHBondContact CD1-O 3.41Å; L739-V745 HydrophobicContact CD1-CG2 4.02Å; L739-L760 HydrophobicContact CD1-CD1 3.82Å; L739-L760 HydrophobicContact CD1-CG 4.44Å; L739-L781 WeakPolarHBondContact O-CD1 3.21Å; L739-V1015 HydrophobicContact CB-CG1 3.68Å; L739-V1015 HydrophobicContact CD2-CG1 3.38Å; L739-V1015 HydrophobicContact CG-CG1 4.05Å; L739-P1016 HydrophobicContact CD2-CG 4.19Å; L739-V1018 HydrophobicContact CD2-CG2 4.13Å; L739-F1021 HydrophobicContact CD1-CZ 4.22Å
740	L	84.5	Confident	86	Confident	11 Å²	11	32.1 Å²	32.1	6%	0.058	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	108.1	172.6	176.4	71	0	0	0	109.1	K742 H744 V746 T757 L781 G785 P801 V1032	L740-K742 PolarHBondContact O-N 2.84Å; L740-H744 WeakPolarHBondContact CA-O 3.38Å; L740-H744 HydrophobicContact CB-CB 4.24Å; L740-H744 HydrophobicContact CD2-CB 4.27Å; L740-H744 PolarHBondContact N-O 2.54Å; L740-H744 PolarHBondContact O-N 3.2Å; L740-V746 HydrophobicContact CB-CG2 3.91Å; L740-V746 HydrophobicContact CD2-CG2 4.12Å; L740-T757 HydrophobicContact CD2-CG2 4.34Å; L740-L781 HydrophobicContact CB-CD1 3.9Å; L740-L781 HydrophobicContact CD1-CD1 4.16Å; L740-L781 HydrophobicContact CD1-CD2 3.63Å; L740-L781 HydrophobicContact CD1-CG 4.49Å; L740-G785 WeakPolarHBondContact CD1-O 2.99Å; L740-P801 HydrophobicContact CD1-CB 4.35Å; L740-P801 HydrophobicContact CD1-CG 3.81Å; L740-P801 HydrophobicContact CD2-CB 3.96Å; L740-P801 HydrophobicContact CD2-CG 4.24Å; L740-V1032 HydrophobicContact CD2-CG2 3.86Å
741	G	78.5	Confident	86.3	Confident	39 Å²	39	35.8 Å²	35.8	40%	0.402	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-129	-176.8	0	0	0	0	0	111.3	L739	L739-G741 VanDerWaalsContact CD2-O 3.31Å; L739-G741 WeakPolarHBondContact CD2-O 3.46Å; L739-G741 WeakPolarHBondContact CG-O 3.41Å
742	K	78.1	Confident	86.8	Confident	136 Å²	136	36.1 Å²	36.1	59%	0.591	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-0.2	-178.3	-74.1	-175.1	-176.6	179.8	0	113.7	L740 V1018	L740-K742 PolarHBondContact O-N 2.84Å; K742-V1018 HydrophobicContact CB-CG1 3.71Å; K742-V1018 HydrophobicContact CD-CG1 4.37Å; K742-V1018 HydrophobicContact CG-CG1 3.97Å; K742-V1018 HydrophobicContact CG-CG2 4.34Å; K742-V1018 WeakPolarHBondContact O-CG1 3.19Å
743	E	79.8	Confident	87	Confident	10 Å²	10	34.5 Å²	34.5	5%	0.047	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-28.4	-159.3	-44	-165	144.9	0	0	114.3	L760 Y1026 S1028 H1029 H1030	E743-L760 WeakPolarHBondContact O-CB 3.31Å; E743-L760 WeakPolarHBondContact O-CG 3.26Å; E743-L760 PolarHBondContact O-N 3.02Å; E743-Y1026 HydrophobicContact CB-CE1 4.46Å; E743-Y1026 HydrophobicContact CG-CE1 3.93Å; E743-S1028 VanDerWaalsContact CD-CA 3.48Å; E743-S1028 VanDerWaalsContact OE1-CA 3.31Å; E743-S1028 WeakPolarHBondContact OE1-CA 3.47Å; E743-S1028 VanDerWaalsContact OE2-CA 3.28Å; E743-S1028 WeakPolarHBondContact OE2-CA 3.48Å; E743-S1028 WeakPolarHBondContact OE2-CB 3.35Å; E743-S1028 PolarHBondContact OE2-OG 3.06Å; E743-H1029 PolarHBondContact OE1-N 3.05Å; E743-H1029 PolarHBondContact OE2-N 3.4Å; E743-H1030 IonicContact OE1-ND1 3.69Å; E743-H1030 PolarHBondContact OE2-N 3.18Å; E743-H1030 IonicContact OE2-ND1 2.97Å
744	H	85.5	Confident	87	Confident	17 Å²	17	31.2 Å²	31.2	8%	0.079	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150.3	-171.1	-59.1	-71.4	0	0	0	111.2	L739 L740 T757 V758 S759 S1028 H1030 V1032	L739-H744 WeakPolarHBondContact CD1-O 3.41Å; L740-H744 WeakPolarHBondContact CA-O 3.38Å; L740-H744 HydrophobicContact CB-CB 4.24Å; L740-H744 HydrophobicContact CD2-CB 4.27Å; L740-H744 PolarHBondContact N-O 2.54Å; L740-H744 PolarHBondContact O-N 3.2Å; H744-T757 HydrophobicContact CB-CG2 3.81Å; H744-V758 CarbonylContact C-O 3.51Å; H744-V758 WeakPolarHBondContact CA-O 3.45Å; H744-S759 WeakPolarHBondContact ND1-CA 3.31Å; H744-S1028 PolarHBondContact NE2-OG 2.87Å; H744-H1030 PolarHBondContact NE2-O 2.86Å; H744-V1032 HydrophobicContact CB-CG2 4.48Å; H744-V1032 VanDerWaalsContact CD2-CG2 3.47Å; H744-V1032 WeakPolarHBondContact CD2-CG2 3.45Å
745	V	89.1	Confident	87	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124	171.3	177.9	0	0	0	0	107.7	L699 W722 A737 Q738 L739 V747 V758 L760	L699-V745 HydrophobicContact CD2-CG1 4.5Å; W722-V745 HydrophobicContact CH2-CB 4.18Å; W722-V745 HydrophobicContact CH2-CG1 4.38Å; W722-V745 HydrophobicContact CH2-CG2 4.15Å; W722-V745 HydrophobicContact CZ2-CG2 4.4Å; A737-V745 HydrophobicContact CB-CG1 4.31Å; Q738-V745 WeakPolarHBondContact O-CA 3.37Å; L739-V745 HydrophobicContact CD1-CG2 4.02Å; V745-V747 HydrophobicContact CG1-CG2 3.95Å; V745-V758 PolarHBondContact N-O 2.84Å; V745-V758 PolarHBondContact O-N 3.27Å; V745-L760 HydrophobicContact CG2-CD2 3.44Å; V745-L760 VanDerWaalsContact CG2-CD2 3.44Å; V745-L760 HydrophobicContact CG2-CG 4.18Å
746	V	90.4	Very high	87	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.1	174.8	-179.8	0	0	0	0	107.8	A737 Q738 L740 V755 H756 T757 F779 L781 L788	A737-V746 CarbonylContact C-O 3.58Å; A737-V746 WeakPolarHBondContact CA-O 3.37Å; Q738-V746 PolarHBondContact N-O 2.94Å; Q738-V746 PolarHBondContact O-N 3.03Å; L740-V746 HydrophobicContact CB-CG2 3.91Å; L740-V746 HydrophobicContact CD2-CG2 4.12Å; V746-V755 HydrophobicContact CG1-CG1 3.48Å; V746-V755 VanDerWaalsContact CG1-CG1 3.48Å; V746-H756 CarbonylContact C-O 3.6Å; V746-T757 HydrophobicContact CG2-CG2 3.91Å; V746-F779 HydrophobicContact CB-CE2 4.07Å; V746-F779 HydrophobicContact CB-CZ 4.37Å; V746-F779 HydrophobicContact CG1-CD2 4.42Å; V746-F779 HydrophobicContact CG1-CE2 3.77Å; V746-F779 HydrophobicContact CG1-CZ 4.06Å; V746-L781 HydrophobicContact CB-CD1 4.5Å; V746-L781 HydrophobicContact CG2-CD1 4.3Å; V746-L788 HydrophobicContact CG1-CD1 4.36Å
747	V	90.8	Very high	86.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.8	-179.7	-175.5	0	0	0	0	108.8	V710 L724 L729 P734 A737 V745 H756	V710-V747 HydrophobicContact CG2-CG1 4.12Å; V710-V747 HydrophobicContact CG2-CG2 4.47Å; L724-V747 HydrophobicContact CD2-CG2 4.17Å; L729-V747 HydrophobicContact CD1-CG1 4.41Å; L729-V747 HydrophobicContact CD2-CB 4.37Å; L729-V747 HydrophobicContact CD2-CG1 4.06Å; P734-V747 HydrophobicContact CB-CG1 3.71Å; A737-V747 HydrophobicContact CB-CG2 3.98Å; V745-V747 HydrophobicContact CG1-CG2 3.95Å; V747-H756 HydrophobicContact CB-CB 4.42Å; V747-H756 PolarHBondContact N-O 3.43Å; V747-H756 PolarHBondContact O-N 3.02Å
748	S	91.1	Very high	86.6	Confident	5 Å²	5	30.5 Å²	30.5	4%	0.035	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	151.3	169.8	64.2	0	0	0	0	110.5	P734 A735 D736 F779	P734-S748 WeakPolarHBondContact CA-O 3.3Å; A735-S748 PolarHBondContact N-O 3.21Å; D736-S748 WeakPolarHBondContact CB-OG 3.32Å; D736-S748 PolarHBondContact N-OG 3.47Å; D736-S748 PolarHBondContact O-N 2.99Å; D736-S748 PolarHBondContact O-OG 2.54Å; S748-F779 WeakPolarHBondContact OG-CE1 3.45Å
749	V	89.3	Confident	86.3	Confident	1 Å²	1	30 Å²	30	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.3	-175.1	179.2	0	0	0	0	109.8	F732 E751 Q752	F732-V749 HydrophobicContact CB-CG1 3.25Å; F732-V749 HydrophobicContact CD2-CG1 4.46Å; F732-V749 HydrophobicContact CG-CG1 3.97Å; V749-E751 PolarHBondContact O-N 3.22Å; V749-Q752 HydrophobicContact CB-CB 4.2Å; V749-Q752 HydrophobicContact CG1-CB 3.8Å; V749-Q752 HydrophobicContact CG1-CG 3.91Å
750	F	84.3	Confident	85.9	Confident	85 Å²	85	28.7 Å²	28.7	37%	0.373	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	129.9	178.9	-82	-66.7	0	0	0	112.6	P703 E733 P734 A735 Q752 T1010	P703-F750 HydrophobicContact CB-CD2 4.43Å; P703-F750 HydrophobicContact CB-CE2 4.15Å; P703-F750 HydrophobicContact CG-CE2 4.11Å; E733-F750 HydrophobicContact CB-CD2 3.99Å; E733-F750 PolarHBondContact O-N 2.82Å; P734-F750 VanDerWaalsContact O-CE2 3.24Å; P734-F750 WeakPolarHBondContact O-CE2 3.46Å; A735-F750 VanDerWaalsContact CA-CE2 3.41Å; A735-F750 HydrophobicContact CB-CD1 3.71Å; A735-F750 HydrophobicContact CB-CD2 3.88Å; A735-F750 HydrophobicContact CB-CE1 3.64Å; A735-F750 HydrophobicContact CB-CE2 3.84Å; A735-F750 HydrophobicContact CB-CG 3.82Å; A735-F750 HydrophobicContact CB-CZ 3.71Å; F750-Q752 PolarHBondContact O-N 3.01Å; F750-T1010 HydrophobicContact CE2-CG2 3.63Å; F750-T1010 HydrophobicContact CZ-CG2 3.49Å; F750-T1010 VanDerWaalsContact CZ-CG2 3.49Å
751	E	82.6	Confident	85.4	Confident	164 Å²	164	30 Å²	30	77%	0.766	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	12.5	174.1	-56.7	-159.6	160.5	0	0	115.7	V749	V749-E751 PolarHBondContact O-N 3.22Å
752	Q	87.9	Confident	84.9	Confident	64 Å²	64	34.3 Å²	34.3	30%	0.299	16%	0.157	S	C	.	.	S	Bend	trans	-111.8	137.9	176.3	-64.7	-57.9	-47.8	0	0	109.6	F732 V749 F750 I754	F732-Q752 HydrophobicContact CD1-CG 3.8Å; F732-Q752 HydrophobicContact CD2-CG 4.46Å; F732-Q752 HydrophobicContact CE1-CG 3.91Å; F732-Q752 HydrophobicContact CG-CG 4.1Å; F732-Q752 HydrophobicContact CZ-CG 4.31Å; V749-Q752 HydrophobicContact CB-CB 4.2Å; V749-Q752 HydrophobicContact CG1-CB 3.8Å; V749-Q752 HydrophobicContact CG1-CG 3.91Å; F750-Q752 PolarHBondContact O-N 3.01Å; Q752-I754 HydrophobicContact CB-CG1 4.36Å; Q752-I754 PolarHBondContact O-N 3.1Å
753	P	87.5	Confident	84.4	Confident	40 Å²	40	35.1 Å²	35.1	26%	0.26	16%	0.161	S	C	.	.	S	Bend	trans	-79.9	49.4	175.2	36.2	-37.2	0	0	0	110.7	F771 L772	P753-F771 CarbonylContact O-C 3.55Å; P753-F771 WeakPolarHBondContact O-CA 3.18Å; P753-L772 HydrophobicContact CB-CB 4.32Å; P753-L772 WeakPolarHBondContact CB-O 3.5Å; P753-L772 PolarHBondContact O-N 2.54Å
754	I	86.7	Confident	83.5	Confident	13 Å²	13	37.6 Å²	37.6	7%	0.067	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.9	-175.9	-52.1	177.5	0	0	0	109.1	F732 Q752 H756 S770 F771	F732-I754 HydrophobicContact CE2-CD1 4.29Å; Q752-I754 HydrophobicContact CB-CG1 4.36Å; Q752-I754 PolarHBondContact O-N 3.1Å; I754-H756 WeakPolarHBondContact CG2-NE2 3.38Å; I754-S770 WeakPolarHBondContact CA-O 3.42Å; I754-F771 HydrophobicContact CD1-CD1 4.18Å; I754-F771 HydrophobicContact CD1-CE1 3.74Å; I754-F771 HydrophobicContact CG1-CD1 3.83Å; I754-F771 HydrophobicContact CG1-CE1 3.9Å
755	V	88.6	Confident	83	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.6	169.2	174.5	0	0	0	0	108.6	V746 S770 L772 L776	V746-V755 HydrophobicContact CG1-CG1 3.48Å; V746-V755 VanDerWaalsContact CG1-CG1 3.48Å; V755-S770 PolarHBondContact N-O 3.18Å; V755-S770 PolarHBondContact O-N 3.06Å; V755-L772 HydrophobicContact CB-CD1 4.44Å; V755-L772 HydrophobicContact CG2-CD1 3.55Å; V755-L776 HydrophobicContact CG2-CD2 3.61Å
756	H	87.7	Confident	82.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	116.3	177	-71.1	-105.2	0	0	0	109.1	L729 V746 V747 I754 V758	L729-H756 HydrophobicContact CD2-CB 4.04Å; V746-H756 CarbonylContact C-O 3.6Å; V747-H756 HydrophobicContact CB-CB 4.42Å; V747-H756 PolarHBondContact N-O 3.43Å; V747-H756 PolarHBondContact O-N 3.02Å; I754-H756 WeakPolarHBondContact CG2-NE2 3.38Å; H756-V758 HydrophobicContact CB-CG2 4.23Å
757	T	88.6	Confident	81.8	Confident	7 Å²	7	52.1 Å²	52.1	4%	0.043	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.1	166.9	-51.7	0	0	0	0	108.7	L740 H744 V746 Q767 V768 V1032	L740-T757 HydrophobicContact CD2-CG2 4.34Å; H744-T757 HydrophobicContact CB-CG2 3.81Å; V746-T757 HydrophobicContact CG2-CG2 3.91Å; T757-Q767 CarbonylContact O-C 3.55Å; T757-Q767 WeakPolarHBondContact O-CA 3.47Å; T757-V768 PolarHBondContact N-O 3.43Å; T757-V768 PolarHBondContact O-N 2.87Å; T757-V1032 HydrophobicContact CG2-CB 4.2Å; T757-V1032 HydrophobicContact CG2-CG1 3.79Å; T757-V1032 HydrophobicContact CG2-CG2 4.05Å
758	V	87	Confident	81.5	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128	-171.9	-176.1	0	0	0	0	109.6	W722 L724 H744 V745 H756 R765 Q767	W722-V758 HydrophobicContact CZ2-CG1 4.45Å; L724-V758 HydrophobicContact CD1-CG1 3.98Å; L724-V758 HydrophobicContact CD1-CG2 4.28Å; L724-V758 HydrophobicContact CD2-CG2 4.26Å; H744-V758 CarbonylContact C-O 3.51Å; H744-V758 WeakPolarHBondContact CA-O 3.45Å; V745-V758 PolarHBondContact N-O 2.84Å; V745-V758 PolarHBondContact O-N 3.27Å; H756-V758 HydrophobicContact CB-CG2 4.23Å; V758-R765 HydrophobicContact CG1-CG 3.68Å; V758-Q767 HydrophobicContact CG2-CB 4.21Å
759	S	85.1	Confident	81.2	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	141.9	173.2	-177.1	0	0	0	0	111.4	H744 Q761 R766	H744-S759 WeakPolarHBondContact ND1-CA 3.31Å; S759-Q761 PolarHBondContact O-N 2.89Å; S759-R766 PolarHBondContact N-O 2.89Å
760	L	81.9	Confident	81.1	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.01	27%	0.268	C	S	.	.	S	Bend	trans	-64.5	-27.4	177.5	-74.5	177	0	0	0	112.8	W722 L739 E743 V745 R762 G1020 F1021	W722-L760 HydrophobicContact CD2-CD2 4.28Å; W722-L760 HydrophobicContact CZ2-CD2 4.17Å; W722-L760 PolarHBondContact NE1-O 3.39Å; L739-L760 HydrophobicContact CD1-CD1 3.82Å; L739-L760 HydrophobicContact CD1-CG 4.44Å; E743-L760 WeakPolarHBondContact O-CB 3.31Å; E743-L760 WeakPolarHBondContact O-CG 3.26Å; E743-L760 PolarHBondContact O-N 3.02Å; V745-L760 HydrophobicContact CG2-CD2 3.44Å; V745-L760 VanDerWaalsContact CG2-CD2 3.44Å; V745-L760 HydrophobicContact CG2-CG 4.18Å; L760-R762 PolarHBondContact O-N 3.1Å; L760-G1020 WeakPolarHBondContact CB-O 3.47Å; L760-F1021 HydrophobicContact CD1-CD1 4.49Å; L760-F1021 HydrophobicContact CD1-CD2 4.44Å; L760-F1021 HydrophobicContact CD1-CE1 4.43Å; L760-F1021 HydrophobicContact CD1-CE2 4.34Å; L760-F1021 HydrophobicContact CD1-CZ 4.34Å; L760-F1021 HydrophobicContact CD2-CD1 3.55Å; L760-F1021 HydrophobicContact CD2-CE1 3.33Å; L760-F1021 HydrophobicContact CD2-CG 4.32Å; L760-F1021 HydrophobicContact CD2-CZ 3.92Å
761	Q	73.6	Confident	81.2	Confident	38 Å²	38	57.8 Å²	57.8	18%	0.178	27%	0.273	C	S	.	.			trans	-51.2	130.6	-180	-66.6	177.8	-15	0	0	111.9	S759 R765 Y1026	S759-Q761 PolarHBondContact O-N 2.89Å; Q761-R765 WeakPolarHBondContact O-CB 3.49Å; Q761-Y1026 PolarHBondContact NE2-O 3.01Å
762	R	68.2	Low	81.4	Confident	129 Å²	129	50.1 Å²	50.1	49%	0.487	24%	0.237	S	C	.	.	S	Bend	trans	-77.6	-42.7	173.9	-71.5	179.3	161.6	-178.8	-1.1	112.1	E721 L760 D1024	E721-R762 PolarHBondContact O-NH2 2.81Å; L760-R762 PolarHBondContact O-N 3.1Å; R762-D1024 WeakPolarHBondContact CB-OD1 3.45Å; R762-D1024 WeakPolarHBondContact CD-OD1 3.41Å
763	K	66.5	Low	81.1	Confident	153 Å²	153	49.8 Å²	49.8	67%	0.665	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	115.6	178.9	-70.3	-174.5	-178.2	175	0	109.8	D1024	K763-D1024 HydrophobicContact CD-CB 4.37Å
764	G	62.3	Low	81.1	Confident	62 Å²	62	53.2 Å²	53.2	64%	0.639	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	31.2	179	0	0	0	0	0	113.9	R766	G764-R766 WeakPolarHBondContact O-CG 3.45Å; G764-R766 PolarHBondContact O-N 3.06Å
765	R	73.5	Confident	81.1	Confident	61 Å²	61	54.7 Å²	54.7	23%	0.23	26%	0.26	C	S	.	.			trans	-43.4	105.5	178.3	-176	175.7	-82	-177.7	-5.1	111.2	W722 S723 D728 V758 Q761	W722-R765 VanDerWaalsContact CE2-NH2 3.31Å; S723-R765 PolarHBondContact O-NH1 3.32Å; S723-R765 PolarHBondContact O-NH2 3.38Å; D728-R765 IonicContact OD2-NH1 3.82Å; V758-R765 HydrophobicContact CG1-CG 3.68Å; Q761-R765 WeakPolarHBondContact O-CB 3.49Å
766	R	74.5	Confident	81.1	Confident	190 Å²	190	55.3 Å²	55.3	72%	0.717	26%	0.262	S	S	*	.			trans	-83.2	133.5	174.5	-64.6	-173.9	-179.8	-177.8	0.3	108.8	S759 G764	S759-R766 PolarHBondContact N-O 2.89Å; G764-R766 WeakPolarHBondContact O-CG 3.45Å; G764-R766 PolarHBondContact O-N 3.06Å
767	Q	80.5	Confident	81.2	Confident	74 Å²	74	60 Å²	60	35%	0.346	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.6	173.4	54.4	174.2	-47.6	0	0	108.9	D728 T757 V758	D728-Q767 PolarHBondContact O-OE1 2.92Å; D728-Q767 VanDerWaalsContact O-OE1 3.08Å; T757-Q767 CarbonylContact O-C 3.55Å; T757-Q767 WeakPolarHBondContact O-CA 3.47Å; V758-Q767 HydrophobicContact CG2-CB 4.21Å
768	V	84.8	Confident	81.3	Confident	36 Å²	36	59.9 Å²	59.9	22%	0.218	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.5	175.4	179.7	0	0	0	0	107	T757 V1032 P1034	T757-V768 PolarHBondContact N-O 3.43Å; T757-V768 PolarHBondContact O-N 2.87Å; V768-V1032 WeakPolarHBondContact CG2-O 3.38Å; V768-P1034 HydrophobicContact CG1-CB 4.01Å
769	K	85.2	Confident	81.6	Confident	65 Å²	65	59.9 Å²	59.9	28%	0.283	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.4	-179.4	-61.3	-179.2	-174.7	-179.2	0	108.5	L730 F771	L730-K769 HydrophobicContact CD1-CD 4.4Å; K769-F771 HydrophobicContact CB-CE2 4.22Å
770	S	87.2	Confident	82	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.007	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.2	179.7	-60.9	0	0	0	0	108.7	I754 V755 P1034 L1035	I754-S770 WeakPolarHBondContact CA-O 3.42Å; V755-S770 PolarHBondContact N-O 3.18Å; V755-S770 PolarHBondContact O-N 3.06Å; S770-P1034 WeakPolarHBondContact OG-CA 3.25Å; S770-L1035 PolarHBondContact OG-N 3.25Å
771	F	85.8	Confident	82.5	Confident	107 Å²	107	60.8 Å²	60.8	47%	0.469	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	126.8	176.7	-64.6	-87.8	0	0	0	109.2	P753 I754 K769 K1037	P753-F771 CarbonylContact O-C 3.55Å; P753-F771 WeakPolarHBondContact O-CA 3.18Å; I754-F771 HydrophobicContact CD1-CD1 4.18Å; I754-F771 HydrophobicContact CD1-CE1 3.74Å; I754-F771 HydrophobicContact CG1-CD1 3.83Å; I754-F771 HydrophobicContact CG1-CE1 3.9Å; K769-F771 HydrophobicContact CB-CE2 4.22Å; F771-K1037 VanDerWaalsContact C-CE 3.46Å; F771-K1037 WeakPolarHBondContact O-CE 3.5Å; F771-K1037 WeakPolarHBondContact O-CG 3.48Å
772	L	87.3	Confident	83.2	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.021	28%	0.282	C	S	.	.			trans	-106.4	168.1	-175.1	-60.9	177.1	0	0	0	110.1	P753 V755 L776 M792 W799 L1035	P753-L772 HydrophobicContact CB-CB 4.32Å; P753-L772 WeakPolarHBondContact CB-O 3.5Å; P753-L772 PolarHBondContact O-N 2.54Å; V755-L772 HydrophobicContact CB-CD1 4.44Å; V755-L772 HydrophobicContact CG2-CD1 3.55Å; L772-L776 HydrophobicContact CD1-CB 4.49Å; L772-L776 HydrophobicContact CD1-CD1 4.45Å; L772-M792 HydrophobicContact CB-CE 3.53Å; L772-M792 HydrophobicContact CD1-CE 3.37Å; L772-M792 HydrophobicContact CD2-CE 3.91Å; L772-M792 HydrophobicContact CG-CE 3.75Å; L772-W799 HydrophobicContact CD2-CZ2 4.02Å; L772-L1035 HydrophobicContact CD2-CB 4.24Å; L772-L1035 HydrophobicContact CD2-CD1 4.39Å
773	P	81	Confident	84	Confident	56 Å²	56	57.4 Å²	57.4	36%	0.364	29%	0.289	S	S	.	.	S	Bend	trans	-74.2	-33.7	176.5	26.3	-32.6	0	0	0	112.9	M792	P773-M792 HydrophobicContact CG-SD 3.85Å
774	Y	86.5	Confident	84.6	Confident	113 Å²	113	54.3 Å²	54.3	44%	0.443	28%	0.28	S	S	.	.	S	Bend	trans	-136.1	158.2	-176.8	-60.2	-66.6	0	0	0	110.6	L776	Y774-L776 PolarHBondContact O-N 2.72Å
775	P	86.6	Confident	85.5	Confident	44 Å²	44	51.8 Å²	51.8	29%	0.286	25%	0.254	S	S	.	.			trans	-62.2	136.9	175.8	26.5	-34.9	0	0	0	111
776	L	89.2	Confident	86	Confident	14 Å²	14	50.1 Å²	50.1	7%	0.073	25%	0.252	C	S	.	.			trans	-80.5	123.2	-178.4	-167.9	72	0	0	0	109.7	V755 L772 Y774 F779 S791 M792	V755-L776 HydrophobicContact CG2-CD2 3.61Å; L772-L776 HydrophobicContact CD1-CB 4.49Å; L772-L776 HydrophobicContact CD1-CD1 4.45Å; Y774-L776 PolarHBondContact O-N 2.72Å; L776-F779 HydrophobicContact CD2-CB 3.74Å; L776-F779 HydrophobicContact CD2-CD1 3.98Å; L776-F779 HydrophobicContact CD2-CG 4.08Å; L776-F779 HydrophobicContact CG-CB 4.35Å; L776-S791 WeakPolarHBondContact CD1-O 3.44Å; L776-M792 HydrophobicContact CD1-CE 4.05Å; L776-M792 HydrophobicContact CD1-CG 4.28Å
777	Q	90	Very high	86.7	Confident	100 Å²	100	41.9 Å²	41.9	47%	0.467	22%	0.222	S	C	.	.			trans	-84.7	-48.3	-178	-67.3	-65.6	-44.9	0	0	111.9	S791	Q777-S791 PolarHBondContact N-O 2.71Å
778	S	91	Very high	87.2	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.021	21%	0.207	C	C	.	.			trans	-147.5	150.6	176.1	-179.8	0	0	0	0	109.2	S791 S818	S778-S791 WeakPolarHBondContact CA-OG 3.39Å; S778-S791 PolarHBondContact N-OG 2.9Å; S778-S791 PolarHBondContact O-N 3.22Å; S778-S791 PolarHBondContact O-OG 3.29Å; S778-S818 WeakPolarHBondContact CB-O 3.38Å
779	F	93.6	Very high	87.5	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.009	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	159.5	173.2	78.6	-82.8	0	0	0	111.3	D736 Q738 V746 S748 L776 L788 C789	D736-F779 HydrophobicContact CB-CD1 4.4Å; D736-F779 HydrophobicContact CB-CE1 3.82Å; Q738-F779 HydrophobicContact CB-CE2 3.86Å; Q738-F779 HydrophobicContact CB-CZ 4.06Å; Q738-F779 HydrophobicContact CG-CE2 3.78Å; Q738-F779 HydrophobicContact CG-CZ 3.76Å; Q738-F779 PolarHBondContact NE2-O 2.92Å; V746-F779 HydrophobicContact CB-CE2 4.07Å; V746-F779 HydrophobicContact CB-CZ 4.37Å; V746-F779 HydrophobicContact CG1-CD2 4.42Å; V746-F779 HydrophobicContact CG1-CE2 3.77Å; V746-F779 HydrophobicContact CG1-CZ 4.06Å; S748-F779 WeakPolarHBondContact OG-CE1 3.45Å; L776-F779 HydrophobicContact CD2-CB 3.74Å; L776-F779 HydrophobicContact CD2-CD1 3.98Å; L776-F779 HydrophobicContact CD2-CG 4.08Å; L776-F779 HydrophobicContact CG-CB 4.35Å; F779-L788 HydrophobicContact CD2-CD1 3.73Å; F779-L788 HydrophobicContact CE2-CD1 4.32Å; F779-C789 CarbonylContact C-O 3.58Å; F779-C789 WeakPolarHBondContact CA-O 3.47Å; F779-C789 WeakPolarHBondContact CB-O 3.43Å
780	A	92.5	Very high	87.9	Confident	4 Å²	4	34.1 Å²	34.1	3%	0.033	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	153.8	176.1	0	0	0	0	0	110.1	C789 I820 F822	A780-C789 PolarHBondContact N-O 2.86Å; A780-C789 PolarHBondContact O-N 3.18Å; A780-I820 HydrophobicContact CB-CB 4.02Å; A780-I820 HydrophobicContact CB-CG2 3.79Å; A780-I820 WeakPolarHBondContact CB-O 3.49Å; A780-F822 HydrophobicContact CB-CD2 3.73Å; A780-F822 HydrophobicContact CB-CE2 3.84Å; A780-F822 WeakPolarHBondContact O-CE2 3.39Å
781	L	92.4	Very high	88.1	Confident	20 Å²	20	34 Å²	34	11%	0.105	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	144.6	174.7	-72.3	170.8	0	0	0	110	Q738 L739 L740 V746 L788 F822	Q738-L781 HydrophobicContact CB-CD1 3.78Å; L739-L781 WeakPolarHBondContact O-CD1 3.21Å; L740-L781 HydrophobicContact CB-CD1 3.9Å; L740-L781 HydrophobicContact CD1-CD1 4.16Å; L740-L781 HydrophobicContact CD1-CD2 3.63Å; L740-L781 HydrophobicContact CD1-CG 4.49Å; V746-L781 HydrophobicContact CB-CD1 4.5Å; V746-L781 HydrophobicContact CG2-CD1 4.3Å; L781-L788 HydrophobicContact CD2-CB 3.89Å; L781-L788 HydrophobicContact CD2-CD1 3.33Å; L781-L788 HydrophobicContact CD2-CG 4.2Å; L781-L788 HydrophobicContact CG-CD1 4.01Å; L781-F822 VanDerWaalsContact C-CD2 3.45Å; L781-F822 VanDerWaalsContact O-CD2 3.28Å; L781-F822 WeakPolarHBondContact O-CD2 3.27Å
782	S	89.7	Confident	88.2	Confident	7 Å²	7	29 Å²	29	5%	0.049	16%	0.162	C	C	.	.			trans	-68.4	154.9	167.6	62.3	0	0	0	0	110.7	D784 G785 S786 L787	S782-D784 VanDerWaalsContact CB-OD1 3.22Å; S782-D784 WeakPolarHBondContact CB-OD1 3.16Å; S782-D784 PolarHBondContact O-N 2.9Å; S782-D784 PolarHBondContact OG-OD1 2.77Å; S782-G785 PolarHBondContact O-N 3.33Å; S782-G785 PolarHBondContact OG-N 3.37Å; S782-S786 PolarHBondContact OG-N 3.28Å; S782-L787 PolarHBondContact N-O 3.21Å; S782-L787 PolarHBondContact OG-N 3.47Å; S782-L787 PolarHBondContact OG-O 3.14Å
783	S	83.7	Confident	88.2	Confident	90 Å²	90	33.3 Å²	33.3	63%	0.629	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.7	-174.8	63.6	0	0	0	0	113.8	N826	S783-N826 PolarHBondContact N-OD1 3.49Å; S783-N826 VanDerWaalsContact OG-CG 3.31Å; S783-N826 PolarHBondContact OG-ND2 3.15Å; S783-N826 PolarHBondContact OG-OD1 3.08Å; S783-N826 VanDerWaalsContact OG-OD1 3.1Å
784	D	79.3	Confident	88.6	Confident	88 Å²	88	34.5 Å²	34.5	47%	0.471	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-11.7	175	64.8	-11.3	0	0	0	113.3	S782 S786 N826	S782-D784 VanDerWaalsContact CB-OD1 3.22Å; S782-D784 WeakPolarHBondContact CB-OD1 3.16Å; S782-D784 PolarHBondContact O-N 2.9Å; S782-D784 PolarHBondContact OG-OD1 2.77Å; D784-S786 VanDerWaalsContact C-N 3.27Å; D784-S786 PolarHBondContact O-N 3.33Å; D784-S786 PolarHBondContact OD1-N 2.8Å; D784-S786 PolarHBondContact OD1-OG 3.15Å; D784-S786 VanDerWaalsContact OD2-CB 3.23Å; D784-S786 WeakPolarHBondContact OD2-CB 3.05Å; D784-S786 PolarHBondContact OD2-OG 3.39Å; D784-N826 PolarHBondContact OD1-ND2 3.07Å
785	G	80.4	Confident	88.8	Confident	9 Å²	9	30.8 Å²	30.8	9%	0.093	17%	0.171	C	C	.	.	S	Bend	trans	72.7	12.5	-174.5	0	0	0	0	0	114.9	L740 S782 P801	L740-G785 WeakPolarHBondContact CD1-O 2.99Å; S782-G785 PolarHBondContact O-N 3.33Å; S782-G785 PolarHBondContact OG-N 3.37Å; G785-P801 VanDerWaalsContact O-CG 3.26Å; G785-P801 WeakPolarHBondContact O-CG 3.31Å
786	S	84.8	Confident	89	Confident	26 Å²	26	28.8 Å²	28.8	18%	0.182	16%	0.157	C	C	.	.	S	Bend	trans	-75.5	-25.7	178.3	66.3	0	0	0	0	113.2	S782 D784 P801	S782-S786 PolarHBondContact OG-N 3.28Å; D784-S786 VanDerWaalsContact C-N 3.27Å; D784-S786 PolarHBondContact O-N 3.33Å; D784-S786 PolarHBondContact OD1-N 2.8Å; D784-S786 PolarHBondContact OD1-OG 3.15Å; D784-S786 VanDerWaalsContact OD2-CB 3.23Å; D784-S786 WeakPolarHBondContact OD2-CB 3.05Å; D784-S786 PolarHBondContact OD2-OG 3.39Å; S786-P801 VanDerWaalsContact O-CD 3.23Å; S786-P801 WeakPolarHBondContact O-CD 3.14Å
787	L	89.7	Confident	89.1	Confident	17 Å²	17	29 Å²	29	9%	0.089	16%	0.158	C	C	.	.			trans	-131.2	141	-176.3	-64.3	174.1	0	0	0	111.7	S782 W799 F822 I843	S782-L787 PolarHBondContact N-O 3.21Å; S782-L787 PolarHBondContact OG-N 3.47Å; S782-L787 PolarHBondContact OG-O 3.14Å; L787-W799 WeakPolarHBondContact CA-O 3.44Å; L787-F822 HydrophobicContact CB-CE1 4.46Å; L787-F822 HydrophobicContact CB-CZ 4.34Å; L787-I843 HydrophobicContact CD1-CG2 3.53Å
788	L	90.5	Very high	89.2	Confident	8 Å²	8	24.5 Å²	24.5	4%	0.042	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.2	170.8	174	89.9	0	0	0	107.6	V746 F779 L781 T798 W799 L1035	V746-L788 HydrophobicContact CG1-CD1 4.36Å; F779-L788 HydrophobicContact CD2-CD1 3.73Å; F779-L788 HydrophobicContact CE2-CD1 4.32Å; L781-L788 HydrophobicContact CD2-CB 3.89Å; L781-L788 HydrophobicContact CD2-CD1 3.33Å; L781-L788 HydrophobicContact CD2-CG 4.2Å; L781-L788 HydrophobicContact CG-CD1 4.01Å; L788-T798 CarbonylContact O-C 3.6Å; L788-W799 HydrophobicContact CB-CB 4.46Å; L788-W799 HydrophobicContact CD2-CB 4.4Å; L788-W799 HydrophobicContact CD2-CD2 4.37Å; L788-W799 HydrophobicContact CD2-CE3 3.81Å; L788-W799 HydrophobicContact CD2-CZ3 4.45Å; L788-W799 HydrophobicContact CG-CE3 4.28Å; L788-W799 PolarHBondContact N-O 3.29Å; L788-W799 PolarHBondContact O-N 3.07Å; L788-L1035 HydrophobicContact CD2-CD1 3.41Å; L788-L1035 VanDerWaalsContact CD2-CD1 3.41Å; L788-L1035 HydrophobicContact CD2-CD2 4.07Å; L788-L1035 HydrophobicContact CD2-CG 4.39Å
789	C	92	Very high	89.1	Confident	3 Å²	3	24.6 Å²	24.6	2%	0.02	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.1	172.3	-76.3	0	0	0	0	109.7	F779 A780 L796 F797 I820 F822	F779-C789 CarbonylContact C-O 3.58Å; F779-C789 WeakPolarHBondContact CA-O 3.47Å; F779-C789 WeakPolarHBondContact CB-O 3.43Å; A780-C789 PolarHBondContact N-O 2.86Å; A780-C789 PolarHBondContact O-N 3.18Å; C789-L796 HydrophobicContact CB-CD1 4.12Å; C789-F797 CarbonylContact C-O 3.38Å; C789-F797 WeakPolarHBondContact CA-O 3.49Å; C789-I820 HydrophobicContact CB-CG2 4.17Å; C789-F822 HydrophobicContact CB-CE2 3.82Å; C789-F822 HydrophobicContact CB-CZ 3.81Å; C789-F822 WeakPolarHBondContact SG-CZ 3.44Å
790	G	91.9	Very high	88.8	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	143.3	-179.5	0	0	0	0	0	112.3	F797	G790-F797 PolarHBondContact N-O 2.95Å; G790-F797 PolarHBondContact O-N 2.87Å
791	S	92.3	Very high	88.4	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130	179.3	48.9	0	0	0	0	111.7	L776 Q777 S778	L776-S791 WeakPolarHBondContact CD1-O 3.44Å; Q777-S791 PolarHBondContact N-O 2.71Å; S778-S791 WeakPolarHBondContact CA-OG 3.39Å; S778-S791 PolarHBondContact N-OG 2.9Å; S778-S791 PolarHBondContact O-N 3.22Å; S778-S791 PolarHBondContact O-OG 3.29Å
792	M	87.3	Confident	87.8	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	113.8	172.3	-65.1	174.1	-172.9	0	0	108	L772 P773 L776 E794 N795 F797 W799	L772-M792 HydrophobicContact CB-CE 3.53Å; L772-M792 HydrophobicContact CD1-CE 3.37Å; L772-M792 HydrophobicContact CD2-CE 3.91Å; L772-M792 HydrophobicContact CG-CE 3.75Å; P773-M792 HydrophobicContact CG-SD 3.85Å; L776-M792 HydrophobicContact CD1-CE 4.05Å; L776-M792 HydrophobicContact CD1-CG 4.28Å; M792-E794 PolarHBondContact O-N 2.99Å; M792-N795 PolarHBondContact N-O 2.74Å; M792-N795 PolarHBondContact O-N 2.92Å; M792-N795 VanDerWaalsContact O-N 3.08Å; M792-F797 HydrophobicContact CB-CD2 3.97Å; M792-F797 HydrophobicContact CB-CE2 3.7Å; M792-F797 HydrophobicContact CG-CD2 4.09Å; M792-F797 HydrophobicContact CG-CE2 4.16Å; M792-F797 HydrophobicContact SD-CD1 4.47Å; M792-F797 HydrophobicContact SD-CD2 3.9Å; M792-F797 HydrophobicContact SD-CE1 4.39Å; M792-F797 HydrophobicContact SD-CE2 3.82Å; M792-F797 HydrophobicContact SD-CG 4.26Å; M792-F797 HydrophobicContact SD-CZ 4.08Å; M792-W799 HydrophobicContact CE-CH2 3.55Å; M792-W799 HydrophobicContact CE-CZ2 3.84Å
793	Q	88	Confident	87.3	Confident	95 Å²	95	30 Å²	30	44%	0.444	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	-131.6	-170.2	-53.7	172.7	-17.1	0	0	108.8	N795 P816 I817	Q793-N795 VanDerWaalsContact C-N 3.32Å; Q793-P816 WeakPolarHBondContact O-CA 3.07Å; Q793-I817 PolarHBondContact O-N 2.93Å
794	E	89.3	Confident	87.2	Confident	80 Å²	80	25.8 Å²	25.8	37%	0.374	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.7	179.5	65.9	-169.2	-171	0	0	114.6	M792	M792-E794 PolarHBondContact O-N 2.99Å
795	N	90.6	Very high	87.6	Confident	36 Å²	36	24.4 Å²	24.4	19%	0.193	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	140.2	-171.5	-68.6	-34.6	0	0	0	112.2	M792 Q793 F797 V809 R810 S811	M792-N795 PolarHBondContact N-O 2.74Å; M792-N795 PolarHBondContact O-N 2.92Å; M792-N795 VanDerWaalsContact O-N 3.08Å; Q793-N795 VanDerWaalsContact C-N 3.32Å; N795-F797 HydrophobicContact CB-CD2 4.21Å; N795-F797 HydrophobicContact CB-CE2 3.66Å; N795-V809 HydrophobicContact CB-CG1 4.19Å; N795-R810 CarbonylContact C-O 3.6Å; N795-R810 WeakPolarHBondContact CA-O 3.45Å; N795-S811 WeakPolarHBondContact OD1-CA 3.23Å; N795-S811 WeakPolarHBondContact OD1-CB 3.34Å
796	L	91.6	Very high	87.8	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	-95.4	121.8	170.4	-179.9	67.1	0	0	0	109.3	C789 T798 V809 R810 I817 I820 V829 T831 W841	C789-L796 HydrophobicContact CB-CD1 4.12Å; L796-T798 HydrophobicContact CG-CG2 4.46Å; L796-V809 CarbonylContact O-C 3.59Å; L796-V809 WeakPolarHBondContact O-CA 3.27Å; L796-R810 PolarHBondContact N-O 3.47Å; L796-R810 PolarHBondContact O-N 3.45Å; L796-I817 HydrophobicContact CB-CD1 4.12Å; L796-I820 HydrophobicContact CD1-CD1 3.6Å; L796-I820 HydrophobicContact CD1-CG1 4.43Å; L796-V829 HydrophobicContact CD2-CG1 4.37Å; L796-T831 HydrophobicContact CD1-CG2 4.07Å; L796-T831 HydrophobicContact CD2-CG2 3.99Å; L796-W841 HydrophobicContact CD2-CG 4.28Å
797	F	90.6	Very high	87.7	Confident	18 Å²	18	25 Å²	25	8%	0.079	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.1	175	-71.9	-107.2	0	0	0	109.4	C789 G790 M792 N795 W799 L806 V809	C789-F797 CarbonylContact C-O 3.38Å; C789-F797 WeakPolarHBondContact CA-O 3.49Å; G790-F797 PolarHBondContact N-O 2.95Å; G790-F797 PolarHBondContact O-N 2.87Å; M792-F797 HydrophobicContact CB-CD2 3.97Å; M792-F797 HydrophobicContact CB-CE2 3.7Å; M792-F797 HydrophobicContact CG-CD2 4.09Å; M792-F797 HydrophobicContact CG-CE2 4.16Å; M792-F797 HydrophobicContact SD-CD1 4.47Å; M792-F797 HydrophobicContact SD-CD2 3.9Å; M792-F797 HydrophobicContact SD-CE1 4.39Å; M792-F797 HydrophobicContact SD-CE2 3.82Å; M792-F797 HydrophobicContact SD-CG 4.26Å; M792-F797 HydrophobicContact SD-CZ 4.08Å; N795-F797 HydrophobicContact CB-CD2 4.21Å; N795-F797 HydrophobicContact CB-CE2 3.66Å; F797-W799 HydrophobicContact CB-CE3 4.16Å; F797-W799 HydrophobicContact CB-CH2 3.07Å; F797-W799 HydrophobicContact CB-CZ2 3.47Å; F797-W799 VanDerWaalsContact CB-CZ2 3.47Å; F797-W799 HydrophobicContact CB-CZ3 3.46Å; F797-W799 VanDerWaalsContact CB-CZ3 3.46Å; F797-W799 HydrophobicContact CD1-CH2 4.31Å; F797-W799 AromaticContact CD1-CZ2 3.97Å; F797-W799 HydrophobicContact CD1-CZ2 3.97Å; F797-W799 AromaticContact CG-CH2 3.84Å; F797-W799 HydrophobicContact CG-CH2 3.84Å; F797-W799 AromaticContact CG-CZ2 3.98Å; F797-W799 HydrophobicContact CG-CZ2 3.98Å; F797-W799 WeakPolarHBondContact O-CZ3 3.41Å; F797-L806 HydrophobicContact CB-CD1 4.13Å; F797-L806 HydrophobicContact CD1-CD1 3.74Å; F797-L806 HydrophobicContact CD1-CD2 4.12Å; F797-L806 HydrophobicContact CE1-CD2 4.39Å; F797-L806 HydrophobicContact CG-CD1 4.44Å; F797-V809 HydrophobicContact CD1-CB 4.42Å; F797-V809 HydrophobicContact CD1-CG1 4.19Å; F797-V809 HydrophobicContact CD1-CG2 3.53Å; F797-V809 HydrophobicContact CD2-CG1 4.31Å; F797-V809 HydrophobicContact CE1-CB 4.31Å; F797-V809 HydrophobicContact CE1-CG1 3.83Å; F797-V809 HydrophobicContact CE1-CG2 3.47Å; F797-V809 VanDerWaalsContact CE1-CG2 3.47Å; F797-V809 HydrophobicContact CE2-CG1 3.95Å; F797-V809 HydrophobicContact CG-CG1 4.41Å; F797-V809 HydrophobicContact CG-CG2 4.32Å; F797-V809 HydrophobicContact CZ-CG1 3.69Å; F797-V809 HydrophobicContact CZ-CG2 4.22Å
798	T	91.3	Very high	87.5	Confident	7 Å²	7	24.2 Å²	24.2	4%	0.043	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.3	179.8	68	0	0	0	0	110	L788 L796 L806 M807 S808 L846	L788-T798 CarbonylContact O-C 3.6Å; L796-T798 HydrophobicContact CG-CG2 4.46Å; T798-L806 WeakPolarHBondContact O-CD1 3.07Å; T798-M807 WeakPolarHBondContact O-CB 3.42Å; T798-M807 PolarHBondContact O-N 3.17Å; T798-M807 WeakPolarHBondContact OG1-CB 3.37Å; T798-S808 PolarHBondContact N-O 3.16Å; T798-S808 PolarHBondContact OG1-N 3.15Å; T798-S808 PolarHBondContact OG1-O 2.91Å; T798-S808 PolarHBondContact OG1-OG 3.41Å; T798-L846 HydrophobicContact CG2-CD1 4.1Å
799	W	88.9	Confident	87.3	Confident	4 Å²	4	26.2 Å²	26.2	2%	0.015	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.5	179.7	-61.7	-92.2	0	0	0	111.4	L772 L787 L788 M792 F797 V805 L806 L1035 H1036	L772-W799 HydrophobicContact CD2-CZ2 4.02Å; L787-W799 WeakPolarHBondContact CA-O 3.44Å; L788-W799 HydrophobicContact CB-CB 4.46Å; L788-W799 HydrophobicContact CD2-CB 4.4Å; L788-W799 HydrophobicContact CD2-CD2 4.37Å; L788-W799 HydrophobicContact CD2-CE3 3.81Å; L788-W799 HydrophobicContact CD2-CZ3 4.45Å; L788-W799 HydrophobicContact CG-CE3 4.28Å; L788-W799 PolarHBondContact N-O 3.29Å; L788-W799 PolarHBondContact O-N 3.07Å; M792-W799 HydrophobicContact CE-CH2 3.55Å; M792-W799 HydrophobicContact CE-CZ2 3.84Å; F797-W799 HydrophobicContact CB-CE3 4.16Å; F797-W799 HydrophobicContact CB-CH2 3.07Å; F797-W799 HydrophobicContact CB-CZ2 3.47Å; F797-W799 VanDerWaalsContact CB-CZ2 3.47Å; F797-W799 HydrophobicContact CB-CZ3 3.46Å; F797-W799 VanDerWaalsContact CB-CZ3 3.46Å; F797-W799 HydrophobicContact CD1-CH2 4.31Å; F797-W799 AromaticContact CD1-CZ2 3.97Å; F797-W799 HydrophobicContact CD1-CZ2 3.97Å; F797-W799 AromaticContact CG-CH2 3.84Å; F797-W799 HydrophobicContact CG-CH2 3.84Å; F797-W799 AromaticContact CG-CZ2 3.98Å; F797-W799 HydrophobicContact CG-CZ2 3.98Å; F797-W799 WeakPolarHBondContact O-CZ3 3.41Å; W799-V805 WeakPolarHBondContact CA-O 3.34Å; W799-L806 HydrophobicContact CD2-CD1 4.12Å; W799-L806 HydrophobicContact CG-CD1 4.22Å; W799-L806 HydrophobicContact CZ2-CD1 4.11Å; W799-L1035 HydrophobicContact CB-CD2 3.8Å; W799-L1035 HydrophobicContact CD2-CD1 4.34Å; W799-L1035 HydrophobicContact CG-CB 4.43Å; W799-L1035 HydrophobicContact CG-CD1 4.47Å; W799-L1035 HydrophobicContact CG-CD2 3.92Å; W799-L1035 HydrophobicContact CG-CG 4.5Å; W799-H1036 PolarHBondContact NE1-O 3.42Å; W799-H1036 VanDerWaalsContact NE1-O 3.08Å
800	T	88.5	Confident	87	Confident	15 Å²	15	26.3 Å²	26.3	9%	0.092	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	110.9	163.9	-57.1	0	0	0	0	108.2	T802 N803 G804 V805	T800-T802 VanDerWaalsContact C-N 3.28Å; T800-T802 WeakPolarHBondContact CG2-OG1 3.47Å; T800-T802 PolarHBondContact O-N 3.5Å; T800-N803 PolarHBondContact O-N 3.07Å; T800-G804 VanDerWaalsContact O-CA 3.28Å; T800-G804 WeakPolarHBondContact O-CA 3.47Å; T800-G804 PolarHBondContact O-N 3.14Å; T800-V805 PolarHBondContact N-O 3.08Å; T800-V805 VanDerWaalsContact N-O 3.1Å
801	P	83.2	Confident	86.7	Confident	5 Å²	5	30 Å²	30	3%	0.032	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.8	-172.3	28.1	-33	0	0	0	113.4	L740 G785 S786 V1032 Q1033	L740-P801 HydrophobicContact CD1-CB 4.35Å; L740-P801 HydrophobicContact CD1-CG 3.81Å; L740-P801 HydrophobicContact CD2-CB 3.96Å; L740-P801 HydrophobicContact CD2-CG 4.24Å; G785-P801 VanDerWaalsContact O-CG 3.26Å; G785-P801 WeakPolarHBondContact O-CG 3.31Å; S786-P801 VanDerWaalsContact O-CD 3.23Å; S786-P801 WeakPolarHBondContact O-CD 3.14Å; P801-V1032 WeakPolarHBondContact O-CG1 3.33Å; P801-Q1033 PolarHBondContact O-N 3.34Å
802	T	80.5	Confident	86.2	Confident	45 Å²	45	30.5 Å²	30.5	28%	0.276	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-45	177.3	58.8	0	0	0	0	111.6	T800	T800-T802 VanDerWaalsContact C-N 3.28Å; T800-T802 WeakPolarHBondContact CG2-OG1 3.47Å; T800-T802 PolarHBondContact O-N 3.5Å
803	N	80	Confident	86.4	Confident	83 Å²	83	30.8 Å²	30.8	44%	0.444	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-8.8	-176.2	-57.9	10.7	0	0	0	112.1	T800 V805 Q1033	T800-N803 PolarHBondContact O-N 3.07Å; N803-V805 HydrophobicContact CB-CG2 4.04Å; N803-V805 PolarHBondContact O-N 3.4Å; N803-Q1033 PolarHBondContact O-OE1 3.07Å
804	G	81.6	Confident	86.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	5.1	-176.4	0	0	0	0	0	114.6	T800 L1035 H1036	T800-G804 VanDerWaalsContact O-CA 3.28Å; T800-G804 WeakPolarHBondContact O-CA 3.47Å; T800-G804 PolarHBondContact O-N 3.14Å; G804-L1035 CarbonylContact O-C 3.59Å; G804-L1035 WeakPolarHBondContact O-CA 3.29Å; G804-H1036 VanDerWaalsContact C-ND1 3.33Å; G804-H1036 WeakPolarHBondContact O-CB 3.37Å; G804-H1036 PolarHBondContact O-N 2.9Å; G804-H1036 PolarHBondContact O-ND1 3.01Å
805	V	86	Confident	86.8	Confident	59 Å²	59	34.4 Å²	34.4	36%	0.358	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	134.4	-174.7	176.6	0	0	0	0	110.3	W799 T800 N803 M807	W799-V805 WeakPolarHBondContact CA-O 3.34Å; T800-V805 PolarHBondContact N-O 3.08Å; T800-V805 VanDerWaalsContact N-O 3.1Å; N803-V805 HydrophobicContact CB-CG2 4.04Å; N803-V805 PolarHBondContact O-N 3.4Å; V805-M807 HydrophobicContact CG1-SD 4.39Å; V805-M807 PolarHBondContact O-N 3.49Å
806	L	85.2	Confident	86.9	Confident	6 Å²	6	34.9 Å²	34.9	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	116.6	167.8	177.9	65.8	0	0	0	108.5	F797 T798 W799 V809 T1039	F797-L806 HydrophobicContact CB-CD1 4.13Å; F797-L806 HydrophobicContact CD1-CD1 3.74Å; F797-L806 HydrophobicContact CD1-CD2 4.12Å; F797-L806 HydrophobicContact CE1-CD2 4.39Å; F797-L806 HydrophobicContact CG-CD1 4.44Å; T798-L806 WeakPolarHBondContact O-CD1 3.07Å; W799-L806 HydrophobicContact CD2-CD1 4.12Å; W799-L806 HydrophobicContact CG-CD1 4.22Å; W799-L806 HydrophobicContact CZ2-CD1 4.11Å; L806-V809 HydrophobicContact CD1-CG2 4.31Å; L806-V809 HydrophobicContact CD2-CG2 3.82Å; L806-V809 HydrophobicContact CG-CG2 4.37Å; L806-T1039 HydrophobicContact CD2-CG2 4.02Å; L806-T1039 HydrophobicContact CG-CG2 3.96Å
807	M	82.5	Confident	87.1	Confident	41 Å²	41	34.9 Å²	34.9	20%	0.202	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	-54.9	-174.8	-67.8	-64.8	-64.5	0	0	110.9	T798 V805 V1047	T798-M807 WeakPolarHBondContact O-CB 3.42Å; T798-M807 PolarHBondContact O-N 3.17Å; T798-M807 WeakPolarHBondContact OG1-CB 3.37Å; V805-M807 HydrophobicContact CG1-SD 4.39Å; V805-M807 PolarHBondContact O-N 3.49Å; M807-V1047 HydrophobicContact CE-CG1 4.09Å; M807-V1047 HydrophobicContact CE-CG2 4.18Å; M807-V1047 HydrophobicContact SD-CG1 4.41Å
808	S	85.4	Confident	87.2	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.014	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	158.2	177.8	60.8	0	0	0	0	113.2	T798 L846	T798-S808 PolarHBondContact N-O 3.16Å; T798-S808 PolarHBondContact OG1-N 3.15Å; T798-S808 PolarHBondContact OG1-O 2.91Å; T798-S808 PolarHBondContact OG1-OG 3.41Å; S808-L846 WeakPolarHBondContact CB-O 3.28Å; S808-L846 PolarHBondContact OG-O 2.82Å
809	V	86.5	Confident	87.3	Confident	49 Å²	49	37.1 Å²	37.1	30%	0.297	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.5	169.8	-173.1	0	0	0	0	107	N795 L796 F797 L806	N795-V809 HydrophobicContact CB-CG1 4.19Å; L796-V809 CarbonylContact O-C 3.59Å; L796-V809 WeakPolarHBondContact O-CA 3.27Å; F797-V809 HydrophobicContact CD1-CB 4.42Å; F797-V809 HydrophobicContact CD1-CG1 4.19Å; F797-V809 HydrophobicContact CD1-CG2 3.53Å; F797-V809 HydrophobicContact CD2-CG1 4.31Å; F797-V809 HydrophobicContact CE1-CB 4.31Å; F797-V809 HydrophobicContact CE1-CG1 3.83Å; F797-V809 HydrophobicContact CE1-CG2 3.47Å; F797-V809 VanDerWaalsContact CE1-CG2 3.47Å; F797-V809 HydrophobicContact CE2-CG1 3.95Å; F797-V809 HydrophobicContact CG-CG1 4.41Å; F797-V809 HydrophobicContact CG-CG2 4.32Å; F797-V809 HydrophobicContact CZ-CG1 3.69Å; F797-V809 HydrophobicContact CZ-CG2 4.22Å; L806-V809 HydrophobicContact CD1-CG2 4.31Å; L806-V809 HydrophobicContact CD2-CG2 3.82Å; L806-V809 HydrophobicContact CG-CG2 4.37Å
810	R	86.7	Confident	87.6	Confident	6 Å²	6	37.4 Å²	37.4	2%	0.023	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.7	-179.3	-62.6	-63.9	178.2	-126.9	10.9	110.6	N795 L796 W841 L846 D850	N795-R810 CarbonylContact C-O 3.6Å; N795-R810 WeakPolarHBondContact CA-O 3.45Å; L796-R810 PolarHBondContact N-O 3.47Å; L796-R810 PolarHBondContact O-N 3.45Å; R810-W841 HydrophobicContact CB-CH2 4.26Å; R810-W841 HydrophobicContact CB-CZ3 4.2Å; R810-L846 HydrophobicContact CB-CD2 4.45Å; R810-L846 HydrophobicContact CG-CD2 3.45Å; R810-L846 VanDerWaalsContact CG-CD2 3.45Å; R810-D850 IonicContact CZ-OD1 3.78Å; R810-D850 VanDerWaalsContact CZ-OD1 3.31Å; R810-D850 IonicContact NH1-OD1 3Å; R810-D850 PolarHBondContact NH1-OD1 3.32Å; R810-D850 IonicContact NH1-OD2 2.74Å; R810-D850 PolarHBondContact NH1-OD2 2.84Å; R810-D850 VanDerWaalsContact NH1-OD2 3.17Å; R810-D850 IonicContact NH2-OD1 2.61Å; R810-D850 PolarHBondContact NH2-OD1 3.1Å
811	S	85.6	Confident	87.8	Confident	76 Å²	76	37.5 Å²	37.5	53%	0.531	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.8	169.9	66.4	0	0	0	0	109.4	N795	N795-S811 WeakPolarHBondContact OD1-CA 3.23Å; N795-S811 WeakPolarHBondContact OD1-CB 3.34Å
812	G	82.2	Confident	88.2	Confident	12 Å²	12	38.4 Å²	38.4	12%	0.124	21%	0.21	C	C	.	.			trans	-173.2	-13.5	-178.4	0	0	0	0	0	115.1	N839	G812-N839 PolarHBondContact O-ND2 2.97Å; G812-N839 VanDerWaalsContact O-ND2 3.17Å
813	H	91	Very high	88.7	Confident	7 Å²	7	36.3 Å²	36.3	3%	0.032	20%	0.197	C	C	.	.			trans	-101.3	159.7	167.5	-70.5	-85.3	0	0	0	110.1	Q815 I817 T831 D835 I837 N839	H813-Q815 WeakPolarHBondContact CB-O 3.08Å; H813-I817 HydrophobicContact CB-CG1 4.38Å; H813-T831 PolarHBondContact NE2-OG1 3.37Å; H813-D835 WeakPolarHBondContact CA-OD2 3.49Å; H813-D835 WeakPolarHBondContact CB-OD2 3.43Å; H813-D835 IonicContact CG-OD2 3.17Å; H813-D835 IonicContact ND1-OD1 3.31Å; H813-D835 PolarHBondContact ND1-OD1 2.9Å; H813-D835 IonicContact ND1-OD2 2.82Å; H813-D835 PolarHBondContact ND1-OD2 3.37Å; H813-I837 PolarHBondContact CE1-O 3.06Å; H813-I837 VanDerWaalsContact CE1-O 3.25Å; H813-N839 PolarHBondContact CD2-ND2 2.78Å; H813-N839 VanDerWaalsContact CD2-ND2 3.32Å; H813-N839 PolarHBondContact CE1-ND2 2.85Å; H813-N839 VanDerWaalsContact CE1-ND2 3.28Å; H813-N839 PolarHBondContact NE2-ND2 3.17Å
814	F	91.6	Very high	88.9	Confident	159 Å²	159	35.1 Å²	35.1	70%	0.697	20%	0.195	S	C	*	.	S	Bend	trans	-104.2	-8.5	175.6	-56.5	-72.9	0	0	0	112.7	D835 I837	F814-D835 PolarHBondContact N-OD2 2.8Å; F814-I837 HydrophobicContact CD2-CD1 3.74Å; F814-I837 HydrophobicContact CE2-CD1 3.83Å
815	Q	93.6	Very high	89	Confident	92 Å²	92	37.9 Å²	37.9	43%	0.43	21%	0.21	S	C	.	.	S	Bend	trans	-133.6	167.1	174.9	-69	-168.1	3	0	0	109.4	H813 I817 K834 D835	H813-Q815 WeakPolarHBondContact CB-O 3.08Å; Q815-I817 PolarHBondContact O-N 2.97Å; Q815-K834 HydrophobicContact CB-CB 3.98Å; Q815-K834 VanDerWaalsContact OE1-CB 3.28Å; Q815-K834 PolarHBondContact OE1-O 2.86Å; Q815-K834 VanDerWaalsContact OE1-O 3.05Å; Q815-D835 HydrophobicContact CB-CB 3.93Å; Q815-D835 HydrophobicContact CG-CB 4.01Å
816	P	92.9	Very high	89	Confident	45 Å²	45	36.6 Å²	36.6	29%	0.292	20%	0.201	S	C	.	.			trans	-57.2	138.2	-179.8	-26	34.5	0	0	0	113.3	Q793 S818 K834	Q793-P816 WeakPolarHBondContact O-CA 3.07Å; P816-S818 PolarHBondContact O-N 3.39Å; P816-K834 HydrophobicContact CB-CD 4.48Å; P816-K834 WeakPolarHBondContact O-CG 3.41Å; P816-K834 PolarHBondContact O-N 2.81Å
817	I	94.8	Very high	89.1	Confident	1 Å²	1	39 Å²	39	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	126.4	177.2	-57.3	172.7	0	0	0	108.2	Q793 L796 H813 Q815 R819 I820 G832	Q793-I817 PolarHBondContact O-N 2.93Å; L796-I817 HydrophobicContact CB-CD1 4.12Å; H813-I817 HydrophobicContact CB-CG1 4.38Å; Q815-I817 PolarHBondContact O-N 2.97Å; I817-R819 WeakPolarHBondContact CG2-O 3.47Å; I817-I820 HydrophobicContact CG2-CD1 4.49Å; I817-I820 HydrophobicContact CG2-CG1 3.84Å; I817-G832 CarbonylContact C-O 3.47Å; I817-G832 VanDerWaalsContact CG2-O 3.24Å; I817-G832 WeakPolarHBondContact CG2-O 3.41Å
818	S	92.4	Very high	89.5	Confident	25 Å²	25	39.3 Å²	39.3	18%	0.175	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-41.4	-179.7	55.1	0	0	0	0	112.3	S778 P816 G832 V870	S778-S818 WeakPolarHBondContact CB-O 3.38Å; P816-S818 PolarHBondContact O-N 3.39Å; S818-G832 PolarHBondContact N-O 2.81Å; S818-G832 PolarHBondContact OG-O 2.82Å; S818-V870 WeakPolarHBondContact CB-O 3.44Å; S818-V870 PolarHBondContact OG-O 3.41Å
819	R	93.8	Very high	89.8	Confident	48 Å²	48	39.2 Å²	39.2	18%	0.181	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	149.7	-178	-145.6	70.7	165	141.9	0.4	112.3	D736 I817 G832 D872 L873	D736-R819 IonicContact OD2-CZ 3.13Å; D736-R819 IonicContact OD2-NH1 2.91Å; D736-R819 PolarHBondContact OD2-NH1 3.3Å; D736-R819 IonicContact OD2-NH2 3.43Å; I817-R819 WeakPolarHBondContact CG2-O 3.47Å; R819-G832 PolarHBondContact N-O 3.05Å; R819-G832 PolarHBondContact O-N 3.15Å; R819-D872 WeakPolarHBondContact CD-OD1 3.31Å; R819-D872 WeakPolarHBondContact CG-OD1 3.48Å; R819-D872 IonicContact NE-OD1 3.66Å; R819-D872 PolarHBondContact NE-OD1 2.79Å; R819-L873 HydrophobicContact CB-CB 4.3Å
820	I	95.1	Very high	90.2	Very high	9 Å²	9	36.9 Å²	36.9	5%	0.046	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138	175.9	-54.3	173.5	0	0	0	107.7	A780 C789 L796 I817 V829 V830 T831	A780-I820 HydrophobicContact CB-CB 4.02Å; A780-I820 HydrophobicContact CB-CG2 3.79Å; A780-I820 WeakPolarHBondContact CB-O 3.49Å; C789-I820 HydrophobicContact CB-CG2 4.17Å; L796-I820 HydrophobicContact CD1-CD1 3.6Å; L796-I820 HydrophobicContact CD1-CG1 4.43Å; I817-I820 HydrophobicContact CG2-CD1 4.49Å; I817-I820 HydrophobicContact CG2-CG1 3.84Å; I820-V829 HydrophobicContact CG2-CG1 3.61Å; I820-V830 WeakPolarHBondContact CA-O 3.47Å; I820-T831 HydrophobicContact CG1-CG2 4.17Å; I820-T831 HydrophobicContact CG2-CG2 4.28Å
821	A	93	Very high	90.6	Very high	18 Å²	18	36.6 Å²	36.6	15%	0.149	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	146.2	172.1	0	0	0	0	0	110.8	V830 L873 V875	A821-V830 PolarHBondContact N-O 2.69Å; A821-V830 PolarHBondContact O-N 3.38Å; A821-L873 HydrophobicContact CB-CD2 3.72Å; A821-V875 HydrophobicContact CB-CG2 3.67Å
822	F	92.4	Very high	91	Very high	24 Å²	24	33 Å²	33	11%	0.105	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	151.1	171.4	-78.6	-97.2	0	0	0	110.3	A780 L781 L787 C789 V829 I843	A780-F822 HydrophobicContact CB-CD2 3.73Å; A780-F822 HydrophobicContact CB-CE2 3.84Å; A780-F822 WeakPolarHBondContact O-CE2 3.39Å; L781-F822 VanDerWaalsContact C-CD2 3.45Å; L781-F822 VanDerWaalsContact O-CD2 3.28Å; L781-F822 WeakPolarHBondContact O-CD2 3.27Å; L787-F822 HydrophobicContact CB-CE1 4.46Å; L787-F822 HydrophobicContact CB-CZ 4.34Å; C789-F822 HydrophobicContact CB-CE2 3.82Å; C789-F822 HydrophobicContact CB-CZ 3.81Å; C789-F822 WeakPolarHBondContact SG-CZ 3.44Å; F822-V829 HydrophobicContact CD1-CG2 3.69Å; F822-V829 HydrophobicContact CE1-CG2 3.4Å; F822-V829 HydrophobicContact CG-CG2 4.4Å; F822-V829 HydrophobicContact CZ-CG2 3.88Å; F822-I843 HydrophobicContact CD1-CD1 3.77Å; F822-I843 HydrophobicContact CE1-CD1 3.7Å
823	T	89.9	Confident	91.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	17%	0.171	C	C	.	.			trans	-72.5	152.9	163.6	55.5	0	0	0	0	110.7	D825 N826 C827 F828 V875 M898	T823-D825 WeakPolarHBondContact CB-OD1 3.34Å; T823-D825 PolarHBondContact O-N 3.01Å; T823-D825 PolarHBondContact OG1-OD1 2.93Å; T823-N826 PolarHBondContact O-N 3.12Å; T823-N826 PolarHBondContact O-OD1 3.32Å; T823-C827 PolarHBondContact OG1-N 3.1Å; T823-F828 HydrophobicContact CG2-CB 3.81Å; T823-F828 HydrophobicContact CG2-CD2 4.48Å; T823-F828 PolarHBondContact N-O 3.04Å; T823-F828 PolarHBondContact OG1-N 3.13Å; T823-F828 PolarHBondContact OG1-O 2.96Å; T823-V875 HydrophobicContact CG2-CG1 3.99Å; T823-M898 HydrophobicContact CG2-CE 3.79Å; T823-M898 HydrophobicContact CG2-SD 3.71Å
824	S	84.4	Confident	91.7	Very high	58 Å²	58	36.2 Å²	36.2	41%	0.406	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-26	-177.5	56.2	0	0	0	0	113.7	N826	S824-N826 VanDerWaalsContact C-N 3.34Å
825	D	83.5	Confident	91.8	Very high	58 Å²	58	30.3 Å²	30.3	31%	0.31	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-2.3	175.9	60.1	7.5	0	0	0	113.9	T823 C827 G879 G880	T823-D825 WeakPolarHBondContact CB-OD1 3.34Å; T823-D825 PolarHBondContact O-N 3.01Å; T823-D825 PolarHBondContact OG1-OD1 2.93Å; D825-C827 PolarHBondContact O-N 2.79Å; D825-C827 WeakPolarHBondContact OD1-CB 3.27Å; D825-C827 PolarHBondContact OD1-N 3.43Å; D825-G879 WeakPolarHBondContact OD2-CA 3.49Å; D825-G880 PolarHBondContact OD2-N 2.91Å
826	N	86.8	Confident	91.7	Very high	32 Å²	32	26 Å²	26	17%	0.171	14%	0.143	C	C	.	.	S	Bend	trans	52.6	29.8	-174	-57.9	-32.5	0	0	0	113.6	S783 D784 T823 S824 I843	S783-N826 PolarHBondContact N-OD1 3.49Å; S783-N826 VanDerWaalsContact OG-CG 3.31Å; S783-N826 PolarHBondContact OG-ND2 3.15Å; S783-N826 PolarHBondContact OG-OD1 3.08Å; S783-N826 VanDerWaalsContact OG-OD1 3.1Å; D784-N826 PolarHBondContact OD1-ND2 3.07Å; T823-N826 PolarHBondContact O-N 3.12Å; T823-N826 PolarHBondContact O-OD1 3.32Å; S824-N826 VanDerWaalsContact C-N 3.34Å; N826-I843 WeakPolarHBondContact O-CD1 3.44Å
827	C	87.3	Confident	91.9	Very high	55 Å²	55	24.5 Å²	24.5	37%	0.372	13%	0.133	S	C	.	.	S	Bend	trans	-87.7	-34.8	173.3	-67.2	0	0	0	0	112.3	T823 D825 N842 I843	T823-C827 PolarHBondContact OG1-N 3.1Å; D825-C827 PolarHBondContact O-N 2.79Å; D825-C827 WeakPolarHBondContact OD1-CB 3.27Å; D825-C827 PolarHBondContact OD1-N 3.43Å; C827-N842 PolarHBondContact O-OD1 3.4Å; C827-I843 PolarHBondContact O-N 2.85Å
828	F	90.9	Very high	91.8	Very high	48 Å²	48	24.4 Å²	24.4	21%	0.211	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	151.3	-175.9	-58.5	-85.5	0	0	0	113.1	T823 V840 W841 N842 M898	T823-F828 HydrophobicContact CG2-CB 3.81Å; T823-F828 HydrophobicContact CG2-CD2 4.48Å; T823-F828 PolarHBondContact N-O 3.04Å; T823-F828 PolarHBondContact OG1-N 3.13Å; T823-F828 PolarHBondContact OG1-O 2.96Å; F828-V840 HydrophobicContact CB-CG1 3.9Å; F828-V840 HydrophobicContact CD1-CG1 3.82Å; F828-V840 HydrophobicContact CG-CG1 4.06Å; F828-W841 CarbonylContact C-O 3.52Å; F828-W841 WeakPolarHBondContact CA-O 3.34Å; F828-N842 HydrophobicContact CD1-CB 4.06Å; F828-N842 HydrophobicContact CE1-CB 3.92Å; F828-M898 HydrophobicContact CB-CE 3.88Å; F828-M898 HydrophobicContact CD1-CE 4.47Å; F828-M898 HydrophobicContact CD2-CE 3.48Å; F828-M898 VanDerWaalsContact CD2-CE 3.48Å; F828-M898 HydrophobicContact CE2-CE 4.11Å; F828-M898 HydrophobicContact CG-CE 3.7Å
829	V	92	Very high	91.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.9	168	179.7	0	0	0	0	108.4	L796 I820 F822 T831 W841 I843 L846	L796-V829 HydrophobicContact CD2-CG1 4.37Å; I820-V829 HydrophobicContact CG2-CG1 3.61Å; F822-V829 HydrophobicContact CD1-CG2 3.69Å; F822-V829 HydrophobicContact CE1-CG2 3.4Å; F822-V829 HydrophobicContact CG-CG2 4.4Å; F822-V829 HydrophobicContact CZ-CG2 3.88Å; V829-T831 HydrophobicContact CG1-CG2 4.14Å; V829-W841 HydrophobicContact CB-CB 4.38Å; V829-W841 PolarHBondContact N-O 3.31Å; V829-W841 PolarHBondContact O-N 3.24Å; V829-I843 HydrophobicContact CG2-CD1 3.8Å; V829-I843 HydrophobicContact CG2-CG1 3.65Å; V829-L846 HydrophobicContact CG2-CD1 4.28Å
830	V	93.6	Very high	91.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	129	176.3	-170.4	0	0	0	0	108.9	I820 A821 V838 N839 V840 L873 V875 I884	I820-V830 WeakPolarHBondContact CA-O 3.47Å; A821-V830 PolarHBondContact N-O 2.69Å; A821-V830 PolarHBondContact O-N 3.38Å; V830-V838 HydrophobicContact CG1-CG1 3.71Å; V830-N839 CarbonylContact C-O 3.55Å; V830-N839 WeakPolarHBondContact CA-O 3.38Å; V830-V840 HydrophobicContact CG1-CG2 4.34Å; V830-V840 HydrophobicContact CG2-CG1 4.47Å; V830-V840 HydrophobicContact CG2-CG2 4.31Å; V830-L873 HydrophobicContact CB-CD2 3.86Å; V830-L873 HydrophobicContact CG1-CD1 3.56Å; V830-L873 HydrophobicContact CG1-CD2 3.66Å; V830-L873 HydrophobicContact CG1-CG 4.25Å; V830-V875 HydrophobicContact CG2-CG2 4.17Å; V830-I884 HydrophobicContact CB-CD1 4.4Å; V830-I884 HydrophobicContact CG1-CD1 3.98Å; V830-I884 HydrophobicContact CG1-CG2 4.01Å; V830-I884 HydrophobicContact CG2-CD1 3.48Å; V830-I884 VanDerWaalsContact CG2-CD1 3.48Å; V830-I884 HydrophobicContact CG2-CG1 4.05Å
831	T	95.2	Very high	91.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.5	178.2	60.3	0	0	0	0	110.3	L796 H813 I820 V829 V838 N839 W841	L796-T831 HydrophobicContact CD1-CG2 4.07Å; L796-T831 HydrophobicContact CD2-CG2 3.99Å; H813-T831 PolarHBondContact NE2-OG1 3.37Å; I820-T831 HydrophobicContact CG1-CG2 4.17Å; I820-T831 HydrophobicContact CG2-CG2 4.28Å; V829-T831 HydrophobicContact CG1-CG2 4.14Å; T831-V838 CarbonylContact O-C 3.5Å; T831-V838 VanDerWaalsContact O-CA 3.31Å; T831-V838 WeakPolarHBondContact O-CA 3.4Å; T831-N839 PolarHBondContact N-O 3.41Å; T831-N839 PolarHBondContact O-N 3.47Å; T831-N839 PolarHBondContact OG1-O 2.82Å; T831-W841 PolarHBondContact OG1-NE1 2.9Å
832	G	94.4	Very high	91.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.3	171.8	0	0	0	0	0	110.3	I817 S818 R819	I817-G832 CarbonylContact C-O 3.47Å; I817-G832 VanDerWaalsContact CG2-O 3.24Å; I817-G832 WeakPolarHBondContact CG2-O 3.41Å; S818-G832 PolarHBondContact N-O 2.81Å; S818-G832 PolarHBondContact OG-O 2.82Å; R819-G832 PolarHBondContact N-O 3.05Å; R819-G832 PolarHBondContact O-N 3.15Å
833	G	94	Very high	91.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	160.4	-178.5	0	0	0	0	0	114.2	D835 G836 I837 V870	G833-D835 VanDerWaalsContact CA-OD1 3.28Å; G833-D835 WeakPolarHBondContact CA-OD1 3.43Å; G833-D835 PolarHBondContact O-N 2.87Å; G833-G836 PolarHBondContact O-N 2.86Å; G833-I837 PolarHBondContact N-O 3.49Å; G833-V870 PolarHBondContact O-N 2.8Å; G833-V870 VanDerWaalsContact O-N 3.14Å
834	K	94.1	Very high	91	Very high	88 Å²	88	23.7 Å²	23.7	38%	0.383	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.8	166.9	-70.6	-177.6	-179.5	179.2	0	112.9	Q815 P816 G836 P869	Q815-K834 HydrophobicContact CB-CB 3.98Å; Q815-K834 VanDerWaalsContact OE1-CB 3.28Å; Q815-K834 PolarHBondContact OE1-O 2.86Å; Q815-K834 VanDerWaalsContact OE1-O 3.05Å; P816-K834 HydrophobicContact CB-CD 4.48Å; P816-K834 WeakPolarHBondContact O-CG 3.41Å; P816-K834 PolarHBondContact O-N 2.81Å; K834-G836 PolarHBondContact O-N 2.75Å; K834-P869 HydrophobicContact CB-CB 4.24Å; K834-P869 HydrophobicContact CB-CG 4.48Å; K834-P869 HydrophobicContact CG-CB 4.4Å; K834-P869 VanDerWaalsContact O-CA 3.32Å; K834-P869 WeakPolarHBondContact O-CA 3.42Å; K834-P869 VanDerWaalsContact O-CG 3.32Å; K834-P869 WeakPolarHBondContact O-CG 3.38Å
835	D	94.3	Very high	90.9	Very high	34 Å²	34	23.1 Å²	23.1	18%	0.182	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-3	173	54.7	7.6	0	0	0	113.9	H813 F814 Q815 G833 I837	H813-D835 WeakPolarHBondContact CA-OD2 3.49Å; H813-D835 WeakPolarHBondContact CB-OD2 3.43Å; H813-D835 IonicContact CG-OD2 3.17Å; H813-D835 IonicContact ND1-OD1 3.31Å; H813-D835 PolarHBondContact ND1-OD1 2.9Å; H813-D835 IonicContact ND1-OD2 2.82Å; H813-D835 PolarHBondContact ND1-OD2 3.37Å; F814-D835 PolarHBondContact N-OD2 2.8Å; Q815-D835 HydrophobicContact CB-CB 3.93Å; Q815-D835 HydrophobicContact CG-CB 4.01Å; G833-D835 VanDerWaalsContact CA-OD1 3.28Å; G833-D835 WeakPolarHBondContact CA-OD1 3.43Å; G833-D835 PolarHBondContact O-N 2.87Å; D835-I837 HydrophobicContact CB-CD1 4.46Å; D835-I837 HydrophobicContact CB-CG1 4.25Å; D835-I837 PolarHBondContact O-N 3.32Å; D835-I837 WeakPolarHBondContact OD1-CB 3.44Å; D835-I837 PolarHBondContact OD1-N 2.81Å; D835-I837 VanDerWaalsContact OD1-N 3.08Å
836	G	91.8	Very high	90.8	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	11%	0.113	C	C	.	.	S	Bend	trans	81.7	1.8	-176.9	0	0	0	0	0	113.7	G833 K834 P865	G833-G836 PolarHBondContact O-N 2.86Å; K834-G836 PolarHBondContact O-N 2.75Å; G836-P865 WeakPolarHBondContact O-CD 3.21Å
837	I	95.3	Very high	90.2	Very high	14 Å²	14	23.1 Å²	23.1	7%	0.072	13%	0.125	C	C	.	.			trans	-87.8	144	-179.2	-55.4	-176.5	0	0	0	109.6	H813 F814 G833 D835 R862 W863 T864	H813-I837 PolarHBondContact CE1-O 3.06Å; H813-I837 VanDerWaalsContact CE1-O 3.25Å; F814-I837 HydrophobicContact CD2-CD1 3.74Å; F814-I837 HydrophobicContact CE2-CD1 3.83Å; G833-I837 PolarHBondContact N-O 3.49Å; D835-I837 HydrophobicContact CB-CD1 4.46Å; D835-I837 HydrophobicContact CB-CG1 4.25Å; D835-I837 PolarHBondContact O-N 3.32Å; D835-I837 WeakPolarHBondContact OD1-CB 3.44Å; D835-I837 PolarHBondContact OD1-N 2.81Å; D835-I837 VanDerWaalsContact OD1-N 3.08Å; I837-R862 HydrophobicContact CG2-CG 3.92Å; I837-W863 WeakPolarHBondContact CA-O 3.39Å; I837-W863 WeakPolarHBondContact CG2-O 3.28Å; I837-T864 HydrophobicContact CD1-CG2 4.45Å; I837-T864 HydrophobicContact CG1-CG2 4.01Å
838	V	94.6	Very high	89.2	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	116	170.6	-178	0	0	0	0	108.3	V830 T831 W863 P865 V870 L873 T886	V830-V838 HydrophobicContact CG1-CG1 3.71Å; T831-V838 CarbonylContact O-C 3.5Å; T831-V838 VanDerWaalsContact O-CA 3.31Å; T831-V838 WeakPolarHBondContact O-CA 3.4Å; V838-W863 HydrophobicContact CB-CE3 4.45Å; V838-W863 HydrophobicContact CG1-CE3 4.16Å; V838-W863 PolarHBondContact N-O 2.77Å; V838-W863 PolarHBondContact O-N 3.29Å; V838-P865 HydrophobicContact CB-CG 4.44Å; V838-P865 HydrophobicContact CG2-CG 3.74Å; V838-V870 HydrophobicContact CG2-CG2 4.09Å; V838-L873 HydrophobicContact CG1-CD1 3.87Å; V838-T886 HydrophobicContact CB-CG2 4.45Å; V838-T886 HydrophobicContact CG1-CG2 4.16Å; V838-T886 HydrophobicContact CG2-CG2 3.62Å
839	N	93.6	Very high	87.5	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	138.4	177.2	-71.1	-52.8	0	0	0	109.7	G812 H813 V830 T831 W841 P859 Y861 R862	G812-N839 PolarHBondContact O-ND2 2.97Å; G812-N839 VanDerWaalsContact O-ND2 3.17Å; H813-N839 PolarHBondContact CD2-ND2 2.78Å; H813-N839 VanDerWaalsContact CD2-ND2 3.32Å; H813-N839 PolarHBondContact CE1-ND2 2.85Å; H813-N839 VanDerWaalsContact CE1-ND2 3.28Å; H813-N839 PolarHBondContact NE2-ND2 3.17Å; V830-N839 CarbonylContact C-O 3.55Å; V830-N839 WeakPolarHBondContact CA-O 3.38Å; T831-N839 PolarHBondContact N-O 3.41Å; T831-N839 PolarHBondContact O-N 3.47Å; T831-N839 PolarHBondContact OG1-O 2.82Å; N839-W841 HydrophobicContact CB-CZ2 4.07Å; N839-P859 HydrophobicContact CB-CB 4.09Å; N839-Y861 WeakPolarHBondContact CA-O 3.35Å; N839-R862 WeakPolarHBondContact OD1-CB 3.48Å; N839-R862 VanDerWaalsContact OD1-CG 3.3Å; N839-R862 WeakPolarHBondContact OD1-CG 3.44Å; N839-R862 PolarHBondContact OD1-NE 2.86Å; N839-R862 VanDerWaalsContact OD1-NE 3.11Å
840	V	92.7	Very high	85.6	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.1	172.2	-176.2	0	0	0	0	107.8	F828 V830 P859 S860 Y861 W863 I884 M898	F828-V840 HydrophobicContact CB-CG1 3.9Å; F828-V840 HydrophobicContact CD1-CG1 3.82Å; F828-V840 HydrophobicContact CG-CG1 4.06Å; V830-V840 HydrophobicContact CG1-CG2 4.34Å; V830-V840 HydrophobicContact CG2-CG1 4.47Å; V830-V840 HydrophobicContact CG2-CG2 4.31Å; V840-P859 CarbonylContact O-C 3.56Å; V840-S860 PolarHBondContact O-N 2.76Å; V840-Y861 HydrophobicContact CB-CD2 4.19Å; V840-Y861 HydrophobicContact CG1-CD2 4.36Å; V840-Y861 HydrophobicContact CG2-CD2 4.46Å; V840-Y861 PolarHBondContact N-O 3.33Å; V840-Y861 PolarHBondContact O-N 3.15Å; V840-W863 HydrophobicContact CG2-CH2 4.21Å; V840-W863 HydrophobicContact CG2-CZ3 4.04Å; V840-I884 HydrophobicContact CG2-CD1 3.7Å; V840-M898 HydrophobicContact CG1-CE 3.97Å
841	W	91.1	Very high	83.6	Confident	10 Å²	10	34.8 Å²	34.8	4%	0.038	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128	-177.2	-54.9	90	0	0	0	109.7	L796 R810 F828 V829 T831 N839 L846 P859	L796-W841 HydrophobicContact CD2-CG 4.28Å; R810-W841 HydrophobicContact CB-CH2 4.26Å; R810-W841 HydrophobicContact CB-CZ3 4.2Å; F828-W841 CarbonylContact C-O 3.52Å; F828-W841 WeakPolarHBondContact CA-O 3.34Å; V829-W841 HydrophobicContact CB-CB 4.38Å; V829-W841 PolarHBondContact N-O 3.31Å; V829-W841 PolarHBondContact O-N 3.24Å; T831-W841 PolarHBondContact OG1-NE1 2.9Å; N839-W841 HydrophobicContact CB-CZ2 4.07Å; W841-L846 HydrophobicContact CB-CD1 3.92Å; W841-L846 HydrophobicContact CB-CD2 4.2Å; W841-L846 HydrophobicContact CB-CG 4.22Å; W841-L846 HydrophobicContact CD2-CD2 4.48Å; W841-L846 HydrophobicContact CE3-CD2 4.13Å; W841-P859 HydrophobicContact CD2-CB 4.03Å; W841-P859 HydrophobicContact CE3-CB 3.91Å; W841-P859 HydrophobicContact CH2-CB 4.11Å; W841-P859 HydrophobicContact CH2-CG 4.23Å; W841-P859 HydrophobicContact CZ2-CB 4.2Å; W841-P859 HydrophobicContact CZ3-CB 3.96Å; W841-P859 HydrophobicContact CZ3-CG 4.36Å
842	N	89.6	Confident	81.4	Confident	43 Å²	43	43.7 Å²	43.7	23%	0.23	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	125.4	168.4	175.7	8.5	0	0	0	109.7	C827 F828 A844 D845 L846 S860	C827-N842 PolarHBondContact O-OD1 3.4Å; F828-N842 HydrophobicContact CD1-CB 4.06Å; F828-N842 HydrophobicContact CE1-CB 3.92Å; N842-A844 PolarHBondContact O-N 3.24Å; N842-A844 WeakPolarHBondContact OD1-CB 3.21Å; N842-A844 PolarHBondContact OD1-N 3.43Å; N842-D845 HydrophobicContact CB-CB 4.35Å; N842-D845 WeakPolarHBondContact CB-OD2 3.43Å; N842-D845 PolarHBondContact ND2-OD2 3.09Å; N842-D845 PolarHBondContact O-N 3.15Å; N842-L846 WeakPolarHBondContact O-CG 3.08Å; N842-L846 PolarHBondContact O-N 2.93Å; N842-L846 VanDerWaalsContact O-N 3.15Å; N842-S860 WeakPolarHBondContact CB-OG 3.22Å; N842-S860 PolarHBondContact N-OG 3.37Å
843	I	87.9	Confident	79.3	Confident	10 Å²	10	48.1 Å²	48.1	5%	0.051	27%	0.266	C	S	.	.	H	α-helix	trans	-63.1	-33.2	-178	-70.8	163.3	0	0	0	111.2	L787 F822 N826 C827 V829 D845 L846 M847	L787-I843 HydrophobicContact CD1-CG2 3.53Å; F822-I843 HydrophobicContact CD1-CD1 3.77Å; F822-I843 HydrophobicContact CE1-CD1 3.7Å; N826-I843 WeakPolarHBondContact O-CD1 3.44Å; C827-I843 PolarHBondContact O-N 2.85Å; V829-I843 HydrophobicContact CG2-CD1 3.8Å; V829-I843 HydrophobicContact CG2-CG1 3.65Å; I843-D845 VanDerWaalsContact C-N 3.25Å; I843-D845 PolarHBondContact O-N 3.28Å; I843-L846 HydrophobicContact CG1-CD1 4.44Å; I843-L846 WeakPolarHBondContact O-CB 3.49Å; I843-L846 PolarHBondContact O-N 2.94Å; I843-L846 VanDerWaalsContact O-N 3.12Å; I843-M847 HydrophobicContact CG2-CE 4.1Å; I843-M847 HydrophobicContact CG2-CG 4.32Å; I843-M847 HydrophobicContact CG2-SD 4.28Å; I843-M847 WeakPolarHBondContact O-CG 3.45Å; I843-M847 PolarHBondContact O-N 3.5Å
844	A	84.5	Confident	77.4	Confident	46 Å²	46	56.5 Å²	56.5	38%	0.38	31%	0.309	S	S	.	.	H	α-helix	trans	-59.4	-38.1	175.1	0	0	0	0	0	112.1	N842 M847 Q848	N842-A844 PolarHBondContact O-N 3.24Å; N842-A844 WeakPolarHBondContact OD1-CB 3.21Å; N842-A844 PolarHBondContact OD1-N 3.43Å; A844-M847 PolarHBondContact O-N 2.88Å; A844-Q848 PolarHBondContact O-N 3.49Å
845	D	82.1	Confident	75.6	Confident	46 Å²	46	58.4 Å²	58.4	25%	0.246	32%	0.319	C	S	.	.	H	α-helix	trans	-76.2	-27.9	178.5	-58.3	-26.4	0	0	0	111.6	N842 I843 M847 P857	N842-D845 HydrophobicContact CB-CB 4.35Å; N842-D845 WeakPolarHBondContact CB-OD2 3.43Å; N842-D845 PolarHBondContact ND2-OD2 3.09Å; N842-D845 PolarHBondContact O-N 3.15Å; I843-D845 VanDerWaalsContact C-N 3.25Å; I843-D845 PolarHBondContact O-N 3.28Å; D845-M847 VanDerWaalsContact C-N 3.3Å; D845-P857 HydrophobicContact CB-CB 3.92Å; D845-P857 HydrophobicContact CB-CG 4.35Å; D845-P857 WeakPolarHBondContact O-CG 3.5Å
846	L	80.6	Confident	74	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.037	34%	0.335	C	S	.	.	H	α-helix	trans	-70.1	-27.2	171.6	-61.1	179.2	0	0	0	112.7	T798 S808 R810 V829 W841 N842 I843	T798-L846 HydrophobicContact CG2-CD1 4.1Å; S808-L846 WeakPolarHBondContact CB-O 3.28Å; S808-L846 PolarHBondContact OG-O 2.82Å; R810-L846 HydrophobicContact CB-CD2 4.45Å; R810-L846 HydrophobicContact CG-CD2 3.45Å; R810-L846 VanDerWaalsContact CG-CD2 3.45Å; V829-L846 HydrophobicContact CG2-CD1 4.28Å; W841-L846 HydrophobicContact CB-CD1 3.92Å; W841-L846 HydrophobicContact CB-CD2 4.2Å; W841-L846 HydrophobicContact CB-CG 4.22Å; W841-L846 HydrophobicContact CD2-CD2 4.48Å; W841-L846 HydrophobicContact CE3-CD2 4.13Å; N842-L846 WeakPolarHBondContact O-CG 3.08Å; N842-L846 PolarHBondContact O-N 2.93Å; N842-L846 VanDerWaalsContact O-N 3.15Å; I843-L846 HydrophobicContact CG1-CD1 4.44Å; I843-L846 WeakPolarHBondContact O-CB 3.49Å; I843-L846 PolarHBondContact O-N 2.94Å; I843-L846 VanDerWaalsContact O-N 3.12Å
847	M	73.8	Confident	72.8	Confident	84 Å²	84	62.8 Å²	62.8	41%	0.414	34%	0.343	S	S	.	.	H	α-helix	trans	-86.9	-15.9	-179	-70.8	-171	-62	0	0	113.9	I843 A844 D845 A849	I843-M847 HydrophobicContact CG2-CE 4.1Å; I843-M847 HydrophobicContact CG2-CG 4.32Å; I843-M847 HydrophobicContact CG2-SD 4.28Å; I843-M847 WeakPolarHBondContact O-CG 3.45Å; I843-M847 PolarHBondContact O-N 3.5Å; A844-M847 PolarHBondContact O-N 2.88Å; D845-M847 VanDerWaalsContact C-N 3.3Å; M847-A849 PolarHBondContact O-N 3.34Å
848	Q	67.4	Low	72.1	Confident	92 Å²	92	69 Å²	69	43%	0.43	37%	0.369	S	S	.	.	S	Bend	trans	-63.2	121.2	175.6	-71.9	176.4	25.7	0	0	109.3	A844 D850	A844-Q848 PolarHBondContact O-N 3.49Å; Q848-D850 PolarHBondContact O-N 2.82Å
849	A	54.1	Low	71.7	Confident	73 Å²	73	69.8 Å²	69.8	60%	0.603	38%	0.375	S	S	*	.			trans	-60.1	129.6	176.3	0	0	0	0	0	108.9	M847 S851	M847-A849 PolarHBondContact O-N 3.34Å; A849-S851 PolarHBondContact O-N 3.48Å
850	D	53.1	Low	71.3	Confident	81 Å²	81	72.1 Å²	72.1	43%	0.433	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	13.1	-179.4	-72.6	-22.4	0	0	0	113.9	R810 Q848 E852	R810-D850 IonicContact CZ-OD1 3.78Å; R810-D850 VanDerWaalsContact CZ-OD1 3.31Å; R810-D850 IonicContact NH1-OD1 3Å; R810-D850 PolarHBondContact NH1-OD1 3.32Å; R810-D850 IonicContact NH1-OD2 2.74Å; R810-D850 PolarHBondContact NH1-OD2 2.84Å; R810-D850 VanDerWaalsContact NH1-OD2 3.17Å; R810-D850 IonicContact NH2-OD1 2.61Å; R810-D850 PolarHBondContact NH2-OD1 3.1Å; Q848-D850 PolarHBondContact O-N 2.82Å; D850-E852 VanDerWaalsContact C-N 3.34Å; D850-E852 PolarHBondContact O-N 3.35Å
851	S	50.9	Low	71.1	Confident	102 Å²	102	75.9 Å²	75.9	71%	0.713	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-25.5	-162.9	-59.7	0	0	0	0	114.4	A849	A849-S851 PolarHBondContact O-N 3.48Å
852	E	49.4	Very low	71.1	Confident	187 Å²	187	81.5 Å²	81.5	87%	0.874	43%	0.427	S	S	*	.	S	Bend	trans	-148.9	3.5	-175.5	-65.3	-173.6	171.6	0	0	116	D850 I854	D850-E852 VanDerWaalsContact C-N 3.34Å; D850-E852 PolarHBondContact O-N 3.35Å; E852-I854 PolarHBondContact O-N 2.84Å
853	L	51.2	Low	71.3	Confident	93 Å²	93	80.7 Å²	80.7	49%	0.487	42%	0.421	S	S	.	.			trans	-80.3	118.9	179.7	-72.9	166.7	0	0	0	110.8	E855	L853-E855 PolarHBondContact O-N 3.17Å
854	I	54.3	Low	71.4	Confident	175 Å²	175	85.3 Å²	85.3	90%	0.897	45%	0.45	S	S	*	.	S	Bend	trans	-62.7	-30.4	175.6	-60.1	171.1	0	0	0	110.9	E852	E852-I854 PolarHBondContact O-N 2.84Å
855	E	54.5	Low	71.5	Confident	129 Å²	129	84.1 Å²	84.1	60%	0.603	44%	0.438	S	S	*	.	S	Bend	trans	-119.4	125.4	174.4	-70.1	-168.2	-170.2	0	0	110.9	L853 K858	L853-E855 PolarHBondContact O-N 3.17Å; E855-K858 IonicContact OE2-NZ 2.73Å; E855-K858 PolarHBondContact OE2-NZ 2.97Å
856	L	60.5	Low	72	Confident	99 Å²	99	82.6 Å²	82.6	52%	0.518	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-58.8	141.9	170.3	-72.7	158.1	0	0	0	110.2	K858	L856-K858 PolarHBondContact O-N 2.73Å; L856-K858 VanDerWaalsContact O-N 3.16Å
857	P	67.4	Low	72.5	Confident	28 Å²	28	87.1 Å²	87.1	18%	0.182	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-60.8	121.8	-179.8	21.3	-29.7	0	0	0	110.7	D845	D845-P857 HydrophobicContact CB-CB 3.92Å; D845-P857 HydrophobicContact CB-CG 4.35Å; D845-P857 WeakPolarHBondContact O-CG 3.5Å
858	K	79.9	Confident	73.6	Confident	143 Å²	143	86.9 Å²	86.9	62%	0.622	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-70.9	150.2	174.7	-69.5	168	-170.7	148	0	109	E855 L856 S860	E855-K858 IonicContact OE2-NZ 2.73Å; E855-K858 PolarHBondContact OE2-NZ 2.97Å; L856-K858 PolarHBondContact O-N 2.73Å; L856-K858 VanDerWaalsContact O-N 3.16Å; K858-S860 PolarHBondContact O-N 3.15Å
859	P	86.3	Confident	74.9	Confident	18 Å²	18	84.4 Å²	84.4	12%	0.117	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-58.4	142.2	175.5	25.8	-34.3	0	0	0	110.1	N839 V840 W841 Y861 R862	N839-P859 HydrophobicContact CB-CB 4.09Å; V840-P859 CarbonylContact O-C 3.56Å; W841-P859 HydrophobicContact CD2-CB 4.03Å; W841-P859 HydrophobicContact CE3-CB 3.91Å; W841-P859 HydrophobicContact CH2-CB 4.11Å; W841-P859 HydrophobicContact CH2-CG 4.23Å; W841-P859 HydrophobicContact CZ2-CB 4.2Å; W841-P859 HydrophobicContact CZ3-CB 3.96Å; W841-P859 HydrophobicContact CZ3-CG 4.36Å; P859-Y861 VanDerWaalsContact C-N 3.28Å; P859-Y861 PolarHBondContact O-N 2.81Å; P859-R862 HydrophobicContact CG-CB 4.36Å
860	S	86	Confident	76.9	Confident	48 Å²	48	81 Å²	81	34%	0.336	43%	0.425	S	S	.	.	S	Bend	trans	-59.8	-41.2	-178.8	-49.3	0	0	0	0	111.4	V840 N842 K858	V840-S860 PolarHBondContact O-N 2.76Å; N842-S860 WeakPolarHBondContact CB-OG 3.22Å; N842-S860 PolarHBondContact N-OG 3.37Å; K858-S860 PolarHBondContact O-N 3.15Å
861	Y	88.8	Confident	78.9	Confident	80 Å²	80	78.7 Å²	78.7	31%	0.314	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	141.8	168.7	-59.1	-68.9	0	0	0	110.4	N839 V840 P859 W863 M898	N839-Y861 WeakPolarHBondContact CA-O 3.35Å; V840-Y861 HydrophobicContact CB-CD2 4.19Å; V840-Y861 HydrophobicContact CG1-CD2 4.36Å; V840-Y861 HydrophobicContact CG2-CD2 4.46Å; V840-Y861 PolarHBondContact N-O 3.33Å; V840-Y861 PolarHBondContact O-N 3.15Å; P859-Y861 VanDerWaalsContact C-N 3.28Å; P859-Y861 PolarHBondContact O-N 2.81Å; Y861-W863 HydrophobicContact CD2-CZ2 4.46Å; Y861-W863 HydrophobicContact CG-CZ2 4.22Å; Y861-M898 PolarHBondContact OH-O 2.91Å
862	R	91.1	Very high	81	Confident	128 Å²	128	74.4 Å²	74.4	48%	0.483	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	112.3	169.6	178.1	174.5	-64.8	152.6	-4.2	108.4	I837 N839 P859	I837-R862 HydrophobicContact CG2-CG 3.92Å; N839-R862 WeakPolarHBondContact OD1-CB 3.48Å; N839-R862 VanDerWaalsContact OD1-CG 3.3Å; N839-R862 WeakPolarHBondContact OD1-CG 3.44Å; N839-R862 PolarHBondContact OD1-NE 2.86Å; N839-R862 VanDerWaalsContact OD1-NE 3.11Å; P859-R862 HydrophobicContact CG-CB 4.36Å
863	W	92.6	Very high	83.1	Confident	25 Å²	25	66 Å²	66	10%	0.095	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	144.3	174.9	-57.5	-42.5	0	0	0	109.9	I837 V838 V840 Y861 P865 I884 H896 G901	I837-W863 WeakPolarHBondContact CA-O 3.39Å; I837-W863 WeakPolarHBondContact CG2-O 3.28Å; V838-W863 HydrophobicContact CB-CE3 4.45Å; V838-W863 HydrophobicContact CG1-CE3 4.16Å; V838-W863 PolarHBondContact N-O 2.77Å; V838-W863 PolarHBondContact O-N 3.29Å; V840-W863 HydrophobicContact CG2-CH2 4.21Å; V840-W863 HydrophobicContact CG2-CZ3 4.04Å; Y861-W863 HydrophobicContact CD2-CZ2 4.46Å; Y861-W863 HydrophobicContact CG-CZ2 4.22Å; W863-P865 WeakPolarHBondContact O-CD 3.31Å; W863-I884 HydrophobicContact CH2-CD1 3.86Å; W863-I884 HydrophobicContact CZ3-CB 4.13Å; W863-I884 HydrophobicContact CZ3-CD1 3.62Å; W863-I884 HydrophobicContact CZ3-CG1 4.45Å; W863-I884 HydrophobicContact CZ3-CG2 4.32Å; W863-H896 HydrophobicContact CD2-CB 4.24Å; W863-H896 AromaticContact CD2-CD2 3.5Å; W863-H896 AromaticContact CD2-CG 3.94Å; W863-H896 AromaticContact CE2-CD2 3.9Å; W863-H896 HydrophobicContact CE3-CB 3.73Å; W863-H896 AromaticContact CE3-CD2 3.61Å; W863-H896 AromaticContact CE3-CG 3.56Å; W863-H896 AromaticContact CG-CD2 3.86Å; W863-H896 HydrophobicContact CH2-CB 3.38Å; W863-H896 HydrophobicContact CZ2-CB 3.92Å; W863-H896 HydrophobicContact CZ3-CB 3.27Å; W863-H896 AromaticContact CZ3-CG 3.67Å; W863-G901 PolarHBondContact NE1-O 3.49Å; W863-G901 VanDerWaalsContact NE1-O 3.07Å
864	T	91.7	Very high	85.1	Confident	108 Å²	108	62.2 Å²	62.2	66%	0.663	33%	0.327	S	S	*	.			trans	-115.5	60.9	171.4	39.1	0	0	0	0	109.2	I837	I837-T864 HydrophobicContact CD1-CG2 4.45Å; I837-T864 HydrophobicContact CG1-CG2 4.01Å
865	P	85	Confident	86.9	Confident	21 Å²	21	55.4 Å²	55.4	14%	0.136	29%	0.293	C	S	.	.			trans	-67.5	-37.7	-172.2	26.2	-34.7	0	0	0	113.1	G836 V838 W863 Q894	G836-P865 WeakPolarHBondContact O-CD 3.21Å; V838-P865 HydrophobicContact CB-CG 4.44Å; V838-P865 HydrophobicContact CG2-CG 3.74Å; W863-P865 WeakPolarHBondContact O-CD 3.31Å; P865-Q894 HydrophobicContact CB-CB 4.46Å; P865-Q894 PolarHBondContact O-NE2 3.5Å
866	H	92.9	Very high	88.4	Confident	13 Å²	13	49.4 Å²	49.4	6%	0.06	27%	0.265	C	S	.	.			trans	-115.1	147.7	-164.6	-64.8	-66.1	0	0	0	111.9	L868 T886 S888 D890 T892	H866-L868 WeakPolarHBondContact CB-O 3.29Å; H866-T886 WeakPolarHBondContact NE2-CB 3.34Å; H866-T886 PolarHBondContact NE2-O 3.15Å; H866-T886 PolarHBondContact NE2-OG1 3.31Å; H866-S888 VanDerWaalsContact CG-CB 3.42Å; H866-S888 WeakPolarHBondContact ND1-CB 3.46Å; H866-D890 WeakPolarHBondContact CA-OD2 3.42Å; H866-D890 WeakPolarHBondContact CB-OD2 3.47Å; H866-D890 IonicContact CG-OD2 3.76Å; H866-D890 IonicContact ND1-OD1 3.81Å; H866-D890 PolarHBondContact ND1-OD1 3.4Å; H866-D890 IonicContact ND1-OD2 2.87Å; H866-D890 PolarHBondContact ND1-OD2 2.93Å; H866-D890 VanDerWaalsContact ND1-OD2 3.13Å; H866-T892 PolarHBondContact CE1-O 3.22Å; H866-T892 PolarHBondContact CE1-OG1 3.26Å; H866-T892 PolarHBondContact ND1-OG1 3.17Å
867	S	92.3	Very high	89.2	Confident	103 Å²	103	47.3 Å²	47.3	72%	0.72	26%	0.259	S	S	*	.	S	Bend	trans	-89.6	-21.4	175.5	60.2	0	0	0	0	112.9	D890	S867-D890 PolarHBondContact N-OD2 2.91Å
868	L	96.1	Very high	89.3	Confident	79 Å²	79	47.9 Å²	47.9	41%	0.414	27%	0.27	S	S	.	.	S	Bend	trans	-116.1	165.9	176.8	-71.5	-175.5	0	0	0	110.7	H866 V870 S888 L889 D890	H866-L868 WeakPolarHBondContact CB-O 3.29Å; L868-V870 PolarHBondContact O-N 3.25Å; L868-S888 PolarHBondContact O-OG 3.37Å; L868-L889 HydrophobicContact CB-CB 4.11Å; L868-L889 HydrophobicContact CD1-CB 4.08Å; L868-D890 HydrophobicContact CB-CB 3.98Å; L868-D890 HydrophobicContact CD1-CB 4.19Å; L868-D890 HydrophobicContact CG-CB 4.15Å
869	P	95.7	Very high	88.8	Confident	39 Å²	39	41.7 Å²	41.7	25%	0.253	25%	0.247	S	C	.	.			trans	-48.4	131.1	-179.5	-30.6	34.5	0	0	0	113.6	K834 T871 S888 L889	K834-P869 HydrophobicContact CB-CB 4.24Å; K834-P869 HydrophobicContact CB-CG 4.48Å; K834-P869 HydrophobicContact CG-CB 4.4Å; K834-P869 VanDerWaalsContact O-CA 3.32Å; K834-P869 WeakPolarHBondContact O-CA 3.42Å; K834-P869 VanDerWaalsContact O-CG 3.32Å; K834-P869 WeakPolarHBondContact O-CG 3.38Å; P869-T871 PolarHBondContact O-N 3.17Å; P869-S888 PolarHBondContact O-OG 2.9Å; P869-L889 PolarHBondContact O-N 3.32Å
870	V	95.9	Very high	87.6	Confident	1 Å²	1	43 Å²	43	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	122.7	168.4	-175	0	0	0	0	107.4	S818 G833 V838 L868 C887	S818-V870 WeakPolarHBondContact CB-O 3.44Å; S818-V870 PolarHBondContact OG-O 3.41Å; G833-V870 PolarHBondContact O-N 2.8Å; G833-V870 VanDerWaalsContact O-N 3.14Å; V838-V870 HydrophobicContact CG2-CG2 4.09Å; L868-V870 PolarHBondContact O-N 3.25Å; V870-C887 CarbonylContact C-O 3.51Å; V870-C887 WeakPolarHBondContact CA-O 3.43Å; V870-C887 WeakPolarHBondContact CG1-O 3.43Å
871	T	94.7	Very high	87	Confident	34 Å²	34	43.8 Å²	43.8	21%	0.209	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-42.3	-175.4	47.7	0	0	0	0	112.5	P869 C887 L889 L913	P869-T871 PolarHBondContact O-N 3.17Å; T871-C887 PolarHBondContact N-O 3.48Å; T871-C887 PolarHBondContact OG1-O 3.3Å; T871-C887 PolarHBondContact OG1-SG 2.8Å; T871-L889 HydrophobicContact CG2-CD1 4.39Å; T871-L889 HydrophobicContact CG2-CD2 3.71Å; T871-L889 HydrophobicContact CG2-CG 3.54Å; T871-L913 WeakPolarHBondContact CG2-O 3.41Å; T871-L913 PolarHBondContact OG1-O 3.44Å
872	D	94.8	Very high	86.7	Confident	12 Å²	12	40 Å²	40	6%	0.064	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	160.9	-179.1	-160.4	18.1	0	0	0	109.7	R819 C887 A915 C916	R819-D872 WeakPolarHBondContact CD-OD1 3.31Å; R819-D872 WeakPolarHBondContact CG-OD1 3.48Å; R819-D872 IonicContact NE-OD1 3.66Å; R819-D872 PolarHBondContact NE-OD1 2.79Å; D872-C887 WeakPolarHBondContact CB-SG 3.5Å; D872-C887 PolarHBondContact N-SG 3.3Å; D872-C887 PolarHBondContact O-N 2.88Å; D872-C887 VanDerWaalsContact O-N 3.17Å; D872-C887 PolarHBondContact O-SG 3.4Å; D872-A915 WeakPolarHBondContact OD2-CA 3.33Å; D872-C916 VanDerWaalsContact C-SG 3.58Å; D872-C916 PolarHBondContact OD2-N 2.99Å
873	L	94.3	Very high	86.7	Confident	10 Å²	10	36.2 Å²	36.2	5%	0.052	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	133.5	-174.6	-169.6	140	0	0	0	109.9	R819 A821 V830 V838 V875 I884 Y885 T886	R819-L873 HydrophobicContact CB-CB 4.3Å; A821-L873 HydrophobicContact CB-CD2 3.72Å; V830-L873 HydrophobicContact CB-CD2 3.86Å; V830-L873 HydrophobicContact CG1-CD1 3.56Å; V830-L873 HydrophobicContact CG1-CD2 3.66Å; V830-L873 HydrophobicContact CG1-CG 4.25Å; V838-L873 HydrophobicContact CG1-CD1 3.87Å; L873-V875 HydrophobicContact CD2-CG2 3.83Å; L873-I884 HydrophobicContact CD1-CG2 4.18Å; L873-I884 HydrophobicContact CD2-CG2 4.31Å; L873-I884 HydrophobicContact CG-CG2 4.26Å; L873-Y885 WeakPolarHBondContact CA-O 3.39Å; L873-T886 HydrophobicContact CD1-CG2 3.74Å; L873-T886 HydrophobicContact CG-CG2 4.31Å
874	A	92.7	Very high	86.8	Confident	14 Å²	14	35 Å²	35	12%	0.116	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.6	175.6	0	0	0	0	0	110.6	Y885 V918	A874-Y885 PolarHBondContact N-O 3.12Å; A874-Y885 PolarHBondContact O-N 2.94Å; A874-V918 HydrophobicContact CB-CG2 4.18Å
875	V	91.7	Very high	86.9	Confident	32 Å²	32	29.9 Å²	29.9	19%	0.194	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.8	-178.9	-177.1	0	0	0	0	108.4	A821 T823 V830 L873 S882	A821-V875 HydrophobicContact CB-CG2 3.67Å; T823-V875 HydrophobicContact CG2-CG1 3.99Å; V830-V875 HydrophobicContact CG2-CG2 4.17Å; L873-V875 HydrophobicContact CD2-CG2 3.83Å; V875-S882 WeakPolarHBondContact CG1-OG 2.83Å
876	G	85.7	Confident	87.4	Confident	2 Å²	2	28.9 Å²	28.9	2%	0.021	20%	0.203	C	C	.	.			trans	-74.3	164	177.8	0	0	0	0	0	113.3	G878 S882 K883 E922	G876-G878 VanDerWaalsContact C-N 3.34Å; G876-G878 PolarHBondContact O-N 2.72Å; G876-S882 WeakPolarHBondContact CA-OG 3.37Å; G876-S882 PolarHBondContact N-OG 2.69Å; G876-S882 WeakPolarHBondContact O-CB 3.39Å; G876-S882 PolarHBondContact O-OG 2.98Å; G876-K883 PolarHBondContact N-O 3Å; G876-E922 VanDerWaalsContact C-OE1 3.28Å; G876-E922 WeakPolarHBondContact CA-OE1 3.1Å
877	S	78.6	Confident	87.5	Confident	55 Å²	55	28.3 Å²	28.3	39%	0.385	20%	0.2	S	C	.	.	S	Bend	trans	-89.4	12	-173.6	-64.6	0	0	0	0	114.5	G879 E922	S877-G879 VanDerWaalsContact C-N 3.31Å; S877-G879 PolarHBondContact O-N 2.88Å; S877-E922 PolarHBondContact N-OE1 2.91Å; S877-E922 VanDerWaalsContact N-OE1 3.15Å
878	G	68.9	Low	87.8	Confident	40 Å²	40	23.4 Å²	23.4	41%	0.412	17%	0.166	S	C	.	.			trans	-78.1	10.1	-174.8	0	0	0	0	0	117.9	G876 G880 A881 E922	G876-G878 VanDerWaalsContact C-N 3.34Å; G876-G878 PolarHBondContact O-N 2.72Å; G878-G880 PolarHBondContact O-N 3.28Å; G878-A881 PolarHBondContact O-N 3.41Å; G878-E922 PolarHBondContact N-OE1 2.92Å
879	G	69.1	Low	87.7	Confident	14 Å²	14	22.6 Å²	22.6	14%	0.144	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	54.7	-125	-173	0	0	0	0	0	111.6	D825 S877 A881 S882	D825-G879 WeakPolarHBondContact OD2-CA 3.49Å; S877-G879 VanDerWaalsContact C-N 3.31Å; S877-G879 PolarHBondContact O-N 2.88Å; G879-A881 PolarHBondContact O-N 2.97Å; G879-A881 VanDerWaalsContact O-N 3.13Å; G879-S882 WeakPolarHBondContact O-CB 3.43Å; G879-S882 PolarHBondContact O-N 3.34Å
880	G	61.5	Low	87.7	Confident	46 Å²	46	21.9 Å²	21.9	47%	0.474	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-62.3	-17.9	177.8	0	0	0	0	0	115.7	D825 G878	D825-G880 PolarHBondContact OD2-N 2.91Å; G878-G880 PolarHBondContact O-N 3.28Å
881	A	72.5	Confident	87.6	Confident	63 Å²	63	25.3 Å²	25.3	52%	0.521	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-99.6	8.5	174.3	0	0	0	0	0	113.2	G878 G879	G878-A881 PolarHBondContact O-N 3.41Å; G879-A881 PolarHBondContact O-N 2.97Å; G879-A881 VanDerWaalsContact O-N 3.13Å
882	S	83.8	Confident	87.6	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-58.8	147.2	-178.8	179.5	0	0	0	0	112.4	V875 G876 G879 M898	V875-S882 WeakPolarHBondContact CG1-OG 2.83Å; G876-S882 WeakPolarHBondContact CA-OG 3.37Å; G876-S882 PolarHBondContact N-OG 2.69Å; G876-S882 WeakPolarHBondContact O-CB 3.39Å; G876-S882 PolarHBondContact O-OG 2.98Å; G879-S882 WeakPolarHBondContact O-CB 3.43Å; G879-S882 PolarHBondContact O-N 3.34Å; S882-M898 VanDerWaalsContact O-CB 3.3Å; S882-M898 WeakPolarHBondContact O-CB 3.4Å; S882-M898 VanDerWaalsContact O-CG 3.31Å; S882-M898 WeakPolarHBondContact O-CG 3.33Å; S882-M898 PolarHBondContact O-N 3.36Å; S882-M898 VanDerWaalsContact O-N 3.14Å
883	K	91	Very high	87.6	Confident	50 Å²	50	23.8 Å²	23.8	22%	0.217	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	142.6	170.6	-65.8	173.6	-169.6	159.7	0	110.2	G876 Y885 V895 H896 Y940	G876-K883 PolarHBondContact N-O 3Å; K883-Y885 HydrophobicContact CB-CD2 4.5Å; K883-Y885 HydrophobicContact CB-CE2 3.7Å; K883-Y885 WeakPolarHBondContact O-CE2 3.47Å; K883-V895 HydrophobicContact CB-CG1 3.91Å; K883-V895 HydrophobicContact CD-CG1 3.97Å; K883-V895 HydrophobicContact CG-CG1 4.29Å; K883-H896 CarbonylContact C-O 3.58Å; K883-H896 WeakPolarHBondContact CA-O 3.47Å; K883-Y940 PolarHBondContact NZ-OH 3.49Å
884	I	93.5	Very high	87.6	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.1	174.3	-66.4	168	0	0	0	108	V830 V840 W863 L873 T886 V895 H896 M898	V830-I884 HydrophobicContact CB-CD1 4.4Å; V830-I884 HydrophobicContact CG1-CD1 3.98Å; V830-I884 HydrophobicContact CG1-CG2 4.01Å; V830-I884 HydrophobicContact CG2-CD1 3.48Å; V830-I884 VanDerWaalsContact CG2-CD1 3.48Å; V830-I884 HydrophobicContact CG2-CG1 4.05Å; V840-I884 HydrophobicContact CG2-CD1 3.7Å; W863-I884 HydrophobicContact CH2-CD1 3.86Å; W863-I884 HydrophobicContact CZ3-CB 4.13Å; W863-I884 HydrophobicContact CZ3-CD1 3.62Å; W863-I884 HydrophobicContact CZ3-CG1 4.45Å; W863-I884 HydrophobicContact CZ3-CG2 4.32Å; L873-I884 HydrophobicContact CD1-CG2 4.18Å; L873-I884 HydrophobicContact CD2-CG2 4.31Å; L873-I884 HydrophobicContact CG-CG2 4.26Å; I884-T886 HydrophobicContact CG2-CG2 3.95Å; I884-V895 CarbonylContact O-C 3.53Å; I884-V895 WeakPolarHBondContact O-CA 3.49Å; I884-H896 HydrophobicContact CB-CB 4.49Å; I884-H896 PolarHBondContact N-O 3.32Å; I884-H896 PolarHBondContact O-N 3.48Å; I884-M898 HydrophobicContact CD1-CE 4.43Å; I884-M898 HydrophobicContact CD1-CG 3.46Å; I884-M898 VanDerWaalsContact CD1-CG 3.46Å; I884-M898 HydrophobicContact CD1-SD 3.67Å; I884-M898 HydrophobicContact CG1-CG 3.75Å; I884-M898 HydrophobicContact CG1-SD 3.86Å
885	Y	94.7	Very high	87.6	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.5	-179.1	-58.1	-96.3	0	0	0	108.6	L873 A874 K883 Q894 V895 V918 I925 L939	L873-Y885 WeakPolarHBondContact CA-O 3.39Å; A874-Y885 PolarHBondContact N-O 3.12Å; A874-Y885 PolarHBondContact O-N 2.94Å; K883-Y885 HydrophobicContact CB-CD2 4.5Å; K883-Y885 HydrophobicContact CB-CE2 3.7Å; K883-Y885 WeakPolarHBondContact O-CE2 3.47Å; Y885-Q894 WeakPolarHBondContact CA-O 3.23Å; Y885-V895 HydrophobicContact CD1-CB 4.23Å; Y885-V895 HydrophobicContact CD1-CG1 3.87Å; Y885-V895 HydrophobicContact CD1-CG2 3.55Å; Y885-V895 HydrophobicContact CE1-CB 4.24Å; Y885-V895 HydrophobicContact CE1-CG1 3.53Å; Y885-V895 HydrophobicContact CE1-CG2 3.68Å; Y885-V918 HydrophobicContact CD1-CG2 3.91Å; Y885-V918 HydrophobicContact CD2-CB 4.42Å; Y885-V918 HydrophobicContact CD2-CG2 3.58Å; Y885-V918 HydrophobicContact CE1-CG2 4.17Å; Y885-V918 HydrophobicContact CE2-CB 4.33Å; Y885-V918 HydrophobicContact CE2-CG1 4.03Å; Y885-V918 HydrophobicContact CE2-CG2 3.84Å; Y885-V918 HydrophobicContact CG-CG2 3.62Å; Y885-I925 HydrophobicContact CD1-CD1 3.75Å; Y885-I925 HydrophobicContact CD1-CG1 4.17Å; Y885-I925 HydrophobicContact CE1-CD1 3.57Å; Y885-I925 HydrophobicContact CE1-CG1 3.91Å; Y885-L939 HydrophobicContact CE1-CD1 4.36Å
886	T	96.2	Very high	87.6	Confident	0 Å²	0	22 Å²	22	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.5	-176.3	57.9	0	0	0	0	108.9	V838 H866 L873 I884 L893 Q894	V838-T886 HydrophobicContact CB-CG2 4.45Å; V838-T886 HydrophobicContact CG1-CG2 4.16Å; V838-T886 HydrophobicContact CG2-CG2 3.62Å; H866-T886 WeakPolarHBondContact NE2-CB 3.34Å; H866-T886 PolarHBondContact NE2-O 3.15Å; H866-T886 PolarHBondContact NE2-OG1 3.31Å; L873-T886 HydrophobicContact CD1-CG2 3.74Å; L873-T886 HydrophobicContact CG-CG2 4.31Å; I884-T886 HydrophobicContact CG2-CG2 3.95Å; T886-L893 CarbonylContact O-C 3.5Å; T886-L893 VanDerWaalsContact O-CA 3.31Å; T886-L893 WeakPolarHBondContact O-CA 3.23Å; T886-Q894 PolarHBondContact N-O 3.47Å; T886-Q894 PolarHBondContact O-N 3.03Å; T886-Q894 PolarHBondContact OG1-O 3.49Å
887	C	94.7	Very high	87.8	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	147.4	174	67.7	0	0	0	0	110.7	V870 T871 D872 L893 L913 C916	V870-C887 CarbonylContact C-O 3.51Å; V870-C887 WeakPolarHBondContact CA-O 3.43Å; V870-C887 WeakPolarHBondContact CG1-O 3.43Å; T871-C887 PolarHBondContact N-O 3.48Å; T871-C887 PolarHBondContact OG1-O 3.3Å; T871-C887 PolarHBondContact OG1-SG 2.8Å; D872-C887 WeakPolarHBondContact CB-SG 3.5Å; D872-C887 PolarHBondContact N-SG 3.3Å; D872-C887 PolarHBondContact O-N 2.88Å; D872-C887 VanDerWaalsContact O-N 3.17Å; D872-C887 PolarHBondContact O-SG 3.4Å; C887-L893 HydrophobicContact CB-CD1 3.84Å; C887-L913 HydrophobicContact CB-CB 3.98Å; C887-L913 HydrophobicContact CB-CD1 4.08Å; C887-C916 HydrophobicContact CB-CB 4.05Å; C887-C916 VanDerWaalsContact SG-SG 3.67Å
888	S	96.8	Very high	88	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	161.8	-177.1	174.7	0	0	0	0	112.5	H866 L868 P869 D890 M891 T892 L913	H866-S888 VanDerWaalsContact CG-CB 3.42Å; H866-S888 WeakPolarHBondContact ND1-CB 3.46Å; L868-S888 PolarHBondContact O-OG 3.37Å; P869-S888 PolarHBondContact O-OG 2.9Å; S888-D890 VanDerWaalsContact CB-OD1 3.31Å; S888-D890 WeakPolarHBondContact CB-OD1 3.44Å; S888-D890 PolarHBondContact O-N 3.07Å; S888-D890 PolarHBondContact OG-N 3.41Å; S888-D890 PolarHBondContact OG-OD1 3.43Å; S888-M891 PolarHBondContact O-N 3.17Å; S888-T892 PolarHBondContact N-O 3.07Å; S888-L913 WeakPolarHBondContact O-CB 3.34Å; S888-L913 PolarHBondContact O-N 3.07Å
889	L	95	Very high	88.6	Confident	63 Å²	63	25.7 Å²	25.7	33%	0.33	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.4	170.1	-65.5	176.9	0	0	0	113.1	L868 P869 T871 M891 P912	L868-L889 HydrophobicContact CB-CB 4.11Å; L868-L889 HydrophobicContact CD1-CB 4.08Å; P869-L889 PolarHBondContact O-N 3.32Å; T871-L889 HydrophobicContact CG2-CD1 4.39Å; T871-L889 HydrophobicContact CG2-CD2 3.71Å; T871-L889 HydrophobicContact CG2-CG 3.54Å; L889-M891 PolarHBondContact O-N 3.01Å; L889-M891 VanDerWaalsContact O-N 3.15Å; L889-P912 HydrophobicContact CD2-CB 4.05Å
890	D	95.1	Very high	89.2	Confident	24 Å²	24	30.4 Å²	30.4	13%	0.128	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	6	172.1	67.3	14.8	0	0	0	113.9	H866 S867 L868 S888 T892	H866-D890 WeakPolarHBondContact CA-OD2 3.42Å; H866-D890 WeakPolarHBondContact CB-OD2 3.47Å; H866-D890 IonicContact CG-OD2 3.76Å; H866-D890 IonicContact ND1-OD1 3.81Å; H866-D890 PolarHBondContact ND1-OD1 3.4Å; H866-D890 IonicContact ND1-OD2 2.87Å; H866-D890 PolarHBondContact ND1-OD2 2.93Å; H866-D890 VanDerWaalsContact ND1-OD2 3.13Å; S867-D890 PolarHBondContact N-OD2 2.91Å; L868-D890 HydrophobicContact CB-CB 3.98Å; L868-D890 HydrophobicContact CD1-CB 4.19Å; L868-D890 HydrophobicContact CG-CB 4.15Å; S888-D890 VanDerWaalsContact CB-OD1 3.31Å; S888-D890 WeakPolarHBondContact CB-OD1 3.44Å; S888-D890 PolarHBondContact O-N 3.07Å; S888-D890 PolarHBondContact OG-N 3.41Å; S888-D890 PolarHBondContact OG-OD1 3.43Å; D890-T892 VanDerWaalsContact CG-OG1 3.3Å; D890-T892 PolarHBondContact O-N 3.46Å; D890-T892 WeakPolarHBondContact OD1-CB 3.4Å; D890-T892 PolarHBondContact OD1-N 2.86Å; D890-T892 PolarHBondContact OD1-OG1 3.2Å; D890-T892 PolarHBondContact OD2-OG1 3.01Å
891	M	94.8	Very high	90.1	Very high	73 Å²	73	29 Å²	29	36%	0.36	16%	0.156	S	C	.	.	S	Bend	trans	71.9	12.5	178.5	-42.4	176.4	-76.2	0	0	113.3	S888 L889 Y909 R911 P912	S888-M891 PolarHBondContact O-N 3.17Å; L889-M891 PolarHBondContact O-N 3.01Å; L889-M891 VanDerWaalsContact O-N 3.15Å; M891-Y909 PolarHBondContact O-N 2.82Å; M891-R911 WeakPolarHBondContact CB-O 3.27Å; M891-P912 HydrophobicContact CG-CG 4.26Å
892	T	94.9	Very high	90.7	Very high	14 Å²	14	33 Å²	33	9%	0.086	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.3	180	72.7	0	0	0	0	111.9	H866 S888 D890 I907 V908 L913	H866-T892 PolarHBondContact CE1-O 3.22Å; H866-T892 PolarHBondContact CE1-OG1 3.26Å; H866-T892 PolarHBondContact ND1-OG1 3.17Å; S888-T892 PolarHBondContact N-O 3.07Å; D890-T892 VanDerWaalsContact CG-OG1 3.3Å; D890-T892 PolarHBondContact O-N 3.46Å; D890-T892 WeakPolarHBondContact OD1-CB 3.4Å; D890-T892 PolarHBondContact OD1-N 2.86Å; D890-T892 PolarHBondContact OD1-OG1 3.2Å; D890-T892 PolarHBondContact OD2-OG1 3.01Å; T892-I907 WeakPolarHBondContact CA-O 3.32Å; T892-V908 HydrophobicContact CG2-CG2 4.11Å; T892-L913 WeakPolarHBondContact O-CD1 3.49Å
893	L	95	Very high	90.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122	165.1	-178.7	88.8	0	0	0	107.8	T886 C887 E906 I907 Y909 L913 C916 I925 V927	T886-L893 CarbonylContact O-C 3.5Å; T886-L893 VanDerWaalsContact O-CA 3.31Å; T886-L893 WeakPolarHBondContact O-CA 3.23Å; C887-L893 HydrophobicContact CB-CD1 3.84Å; L893-E906 WeakPolarHBondContact O-CA 3.25Å; L893-I907 HydrophobicContact CB-CB 4.46Å; L893-I907 HydrophobicContact CD2-CD1 4.36Å; L893-I907 PolarHBondContact N-O 2.99Å; L893-I907 PolarHBondContact O-N 3.49Å; L893-Y909 HydrophobicContact CB-CE2 3.89Å; L893-L913 HydrophobicContact CB-CD1 3.99Å; L893-C916 HydrophobicContact CD1-CB 4.19Å; L893-I925 HydrophobicContact CD2-CD1 3.9Å; L893-I925 HydrophobicContact CD2-CG2 3.76Å; L893-V927 HydrophobicContact CD1-CG2 4.05Å; L893-V927 HydrophobicContact CD2-CG2 4.04Å; L893-V927 HydrophobicContact CG-CG2 4.49Å
894	Q	93.6	Very high	90.7	Very high	9 Å²	9	38.2 Å²	38.2	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138.6	176.3	-66.2	-173.1	19.5	0	0	111.6	P865 Y885 T886 H896 L905 E906	P865-Q894 HydrophobicContact CB-CB 4.46Å; P865-Q894 PolarHBondContact O-NE2 3.5Å; Y885-Q894 WeakPolarHBondContact CA-O 3.23Å; T886-Q894 PolarHBondContact N-O 3.47Å; T886-Q894 PolarHBondContact O-N 3.03Å; T886-Q894 PolarHBondContact OG1-O 3.49Å; Q894-H896 PolarHBondContact OE1-CE1 3.32Å; Q894-L905 WeakPolarHBondContact CA-O 3.26Å; Q894-E906 HydrophobicContact CG-CB 4.21Å; Q894-E906 HydrophobicContact CG-CG 3.99Å
895	V	93.2	Very high	90.6	Very high	4 Å²	4	39 Å²	39	2%	0.024	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125	176.7	-169.6	0	0	0	0	107.8	K883 I884 Y885 T904 L905 I925	K883-V895 HydrophobicContact CB-CG1 3.91Å; K883-V895 HydrophobicContact CD-CG1 3.97Å; K883-V895 HydrophobicContact CG-CG1 4.29Å; I884-V895 CarbonylContact O-C 3.53Å; I884-V895 WeakPolarHBondContact O-CA 3.49Å; Y885-V895 HydrophobicContact CD1-CB 4.23Å; Y885-V895 HydrophobicContact CD1-CG1 3.87Å; Y885-V895 HydrophobicContact CD1-CG2 3.55Å; Y885-V895 HydrophobicContact CE1-CB 4.24Å; Y885-V895 HydrophobicContact CE1-CG1 3.53Å; Y885-V895 HydrophobicContact CE1-CG2 3.68Å; V895-T904 PolarHBondContact O-N 3.49Å; V895-T904 PolarHBondContact O-OG1 2.76Å; V895-L905 HydrophobicContact CB-CB 4Å; V895-L905 HydrophobicContact CG2-CB 4.01Å; V895-L905 HydrophobicContact CG2-CD2 4.25Å; V895-L905 PolarHBondContact N-O 2.91Å; V895-L905 PolarHBondContact O-N 3.2Å; V895-I925 HydrophobicContact CG2-CD1 4.42Å
896	H	91.1	Very high	90.5	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.028	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.6	178.4	-63.4	77.8	0	0	0	109.4	W863 K883 I884 Q894	W863-H896 HydrophobicContact CD2-CB 4.24Å; W863-H896 AromaticContact CD2-CD2 3.5Å; W863-H896 AromaticContact CD2-CG 3.94Å; W863-H896 AromaticContact CE2-CD2 3.9Å; W863-H896 HydrophobicContact CE3-CB 3.73Å; W863-H896 AromaticContact CE3-CD2 3.61Å; W863-H896 AromaticContact CE3-CG 3.56Å; W863-H896 AromaticContact CG-CD2 3.86Å; W863-H896 HydrophobicContact CH2-CB 3.38Å; W863-H896 HydrophobicContact CZ2-CB 3.92Å; W863-H896 HydrophobicContact CZ3-CB 3.27Å; W863-H896 AromaticContact CZ3-CG 3.67Å; K883-H896 CarbonylContact C-O 3.58Å; K883-H896 WeakPolarHBondContact CA-O 3.47Å; I884-H896 HydrophobicContact CB-CB 4.49Å; I884-H896 PolarHBondContact N-O 3.32Å; I884-H896 PolarHBondContact O-N 3.48Å; Q894-H896 PolarHBondContact OE1-CE1 3.32Å
897	S	88.9	Confident	90.3	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.063	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	124.2	170.8	177.2	0	0	0	0	109.4	F899 L900 G901 K902	S897-F899 VanDerWaalsContact C-N 3.27Å; S897-F899 PolarHBondContact O-N 2.9Å; S897-F899 PolarHBondContact OG-N 3.45Å; S897-L900 WeakPolarHBondContact OG-CD1 3.45Å; S897-L900 PolarHBondContact OG-N 3.36Å; S897-G901 WeakPolarHBondContact O-CA 3.24Å; S897-G901 PolarHBondContact O-N 3.3Å; S897-K902 PolarHBondContact N-O 2.88Å
898	M	83.3	Confident	90.3	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.039	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-33.7	174.2	-67.2	-171.9	62	0	0	112.2	T823 F828 V840 Y861 S882 I884	T823-M898 HydrophobicContact CG2-CE 3.79Å; T823-M898 HydrophobicContact CG2-SD 3.71Å; F828-M898 HydrophobicContact CB-CE 3.88Å; F828-M898 HydrophobicContact CD1-CE 4.47Å; F828-M898 HydrophobicContact CD2-CE 3.48Å; F828-M898 VanDerWaalsContact CD2-CE 3.48Å; F828-M898 HydrophobicContact CE2-CE 4.11Å; F828-M898 HydrophobicContact CG-CE 3.7Å; V840-M898 HydrophobicContact CG1-CE 3.97Å; Y861-M898 PolarHBondContact OH-O 2.91Å; S882-M898 VanDerWaalsContact O-CB 3.3Å; S882-M898 WeakPolarHBondContact O-CB 3.4Å; S882-M898 VanDerWaalsContact O-CG 3.31Å; S882-M898 WeakPolarHBondContact O-CG 3.33Å; S882-M898 PolarHBondContact O-N 3.36Å; S882-M898 VanDerWaalsContact O-N 3.14Å; I884-M898 HydrophobicContact CD1-CE 4.43Å; I884-M898 HydrophobicContact CD1-CG 3.46Å; I884-M898 VanDerWaalsContact CD1-CG 3.46Å; I884-M898 HydrophobicContact CD1-SD 3.67Å; I884-M898 HydrophobicContact CG1-CG 3.75Å; I884-M898 HydrophobicContact CG1-SD 3.86Å
899	F	81.4	Confident	90.2	Very high	156 Å²	156	42.3 Å²	42.3	68%	0.684	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-45.4	-179.7	-177.9	-99.8	0	0	0	112.5	S897	S897-F899 VanDerWaalsContact C-N 3.27Å; S897-F899 PolarHBondContact O-N 2.9Å; S897-F899 PolarHBondContact OG-N 3.45Å
900	L	81.7	Confident	90	Very high	114 Å²	114	43 Å²	43	60%	0.597	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.9	178.7	-69.7	106.6	0	0	0	113.4	S897 K902	S897-L900 WeakPolarHBondContact OG-CD1 3.45Å; S897-L900 PolarHBondContact OG-N 3.36Å; L900-K902 PolarHBondContact O-N 3.31Å
901	G	81.8	Confident	89.9	Confident	15 Å²	15	47.4 Å²	47.4	16%	0.155	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	18	-175.7	0	0	0	0	0	114	W863 S897	W863-G901 PolarHBondContact NE1-O 3.49Å; W863-G901 VanDerWaalsContact NE1-O 3.07Å; S897-G901 WeakPolarHBondContact O-CA 3.24Å; S897-G901 PolarHBondContact O-N 3.3Å
902	K	84.6	Confident	89.9	Confident	149 Å²	149	45.8 Å²	45.8	65%	0.648	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	157.2	-172.5	-68.3	-178.6	-178.3	-179	0	111.9	S897 L900	S897-K902 PolarHBondContact N-O 2.88Å; L900-K902 PolarHBondContact O-N 3.31Å
903	K	87.4	Confident	90	Very high	107 Å²	107	45.2 Å²	45.2	47%	0.465	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	134.1	170.3	76.1	174.1	-169	168.1	0	110.2	E906	K903-E906 IonicContact NZ-OE2 3.63Å; K903-E906 PolarHBondContact NZ-OE2 2.9Å
904	T	87.8	Confident	90	Very high	51 Å²	51	45.7 Å²	45.7	31%	0.313	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-32.5	179.7	51.6	0	0	0	0	112.8	V895	V895-T904 PolarHBondContact O-N 3.49Å; V895-T904 PolarHBondContact O-OG1 2.76Å
905	L	89.8	Confident	90.1	Very high	16 Å²	16	45.2 Å²	45.2	8%	0.084	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	144.2	-176.5	-176.3	69.3	0	0	0	110	Q894 V895 I907 L939 L944 V945 D946 V948	Q894-L905 WeakPolarHBondContact CA-O 3.26Å; V895-L905 HydrophobicContact CB-CB 4Å; V895-L905 HydrophobicContact CG2-CB 4.01Å; V895-L905 HydrophobicContact CG2-CD2 4.25Å; V895-L905 PolarHBondContact N-O 2.91Å; V895-L905 PolarHBondContact O-N 3.2Å; L905-I907 HydrophobicContact CD2-CD1 3.89Å; L905-I907 HydrophobicContact CD2-CG1 3.95Å; L905-I907 HydrophobicContact CG-CG1 4.06Å; L905-L939 HydrophobicContact CD2-CD2 3.68Å; L905-L944 HydrophobicContact CD1-CB 3.83Å; L905-L944 HydrophobicContact CD2-CD1 3.92Å; L905-V945 WeakPolarHBondContact CD1-O 3.49Å; L905-D946 CarbonylContact C-O 3.48Å; L905-D946 WeakPolarHBondContact CA-O 3.42Å; L905-V948 HydrophobicContact CD1-CG2 4.48Å
906	E	92.7	Very high	90.2	Very high	24 Å²	24	45.2 Å²	45.2	11%	0.112	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	117.9	174	176.2	177.7	176.6	0	0	109	L893 Q894 K903 D946 Q947 V948	L893-E906 WeakPolarHBondContact O-CA 3.25Å; Q894-E906 HydrophobicContact CG-CB 4.21Å; Q894-E906 HydrophobicContact CG-CG 3.99Å; K903-E906 IonicContact NZ-OE2 3.63Å; K903-E906 PolarHBondContact NZ-OE2 2.9Å; E906-D946 PolarHBondContact N-O 3.46Å; E906-Q947 HydrophobicContact CB-CG 4.12Å; E906-Q947 WeakPolarHBondContact O-CA 3.24Å; E906-Q947 PolarHBondContact OE2-NE2 3.34Å; E906-V948 PolarHBondContact O-N 3.4Å
907	I	93.6	Very high	90.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.6	178.3	-54.1	177.1	0	0	0	108.6	T892 L893 L905 Y909 T937 V948 F950	T892-I907 WeakPolarHBondContact CA-O 3.32Å; L893-I907 HydrophobicContact CB-CB 4.46Å; L893-I907 HydrophobicContact CD2-CD1 4.36Å; L893-I907 PolarHBondContact N-O 2.99Å; L893-I907 PolarHBondContact O-N 3.49Å; L905-I907 HydrophobicContact CD2-CD1 3.89Å; L905-I907 HydrophobicContact CD2-CG1 3.95Å; L905-I907 HydrophobicContact CG-CG1 4.06Å; I907-Y909 HydrophobicContact CB-CE2 3.87Å; I907-Y909 HydrophobicContact CG2-CD2 4.04Å; I907-Y909 HydrophobicContact CG2-CE2 3.43Å; I907-Y909 VanDerWaalsContact CG2-CE2 3.43Å; I907-T937 HydrophobicContact CD1-CG2 4.06Å; I907-V948 CarbonylContact C-O 3.28Å; I907-V948 VanDerWaalsContact CA-O 3.3Å; I907-V948 WeakPolarHBondContact CA-O 3.34Å; I907-F950 HydrophobicContact CG2-CB 4.22Å
908	V	94	Very high	90.6	Very high	43 Å²	43	45.8 Å²	45.8	26%	0.261	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.5	178.2	-175.4	0	0	0	0	109.7	T892 V948 R949 F950	T892-V908 HydrophobicContact CG2-CG2 4.11Å; V908-V948 PolarHBondContact N-O 2.91Å; V908-R949 HydrophobicContact CB-CG 4.41Å; V908-R949 CarbonylContact O-C 3.56Å; V908-R949 WeakPolarHBondContact O-CA 3.41Å; V908-F950 PolarHBondContact O-N 3.4Å
909	Y	94.4	Very high	90.9	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.012	23%	0.227	C	C	.	.			trans	-96.5	172.6	176.2	-66.7	-98.4	0	0	0	110.9	M891 L893 I907 L913 V927 H935 T937 F950	M891-Y909 PolarHBondContact O-N 2.82Å; L893-Y909 HydrophobicContact CB-CE2 3.89Å; I907-Y909 HydrophobicContact CB-CE2 3.87Å; I907-Y909 HydrophobicContact CG2-CD2 4.04Å; I907-Y909 HydrophobicContact CG2-CE2 3.43Å; I907-Y909 VanDerWaalsContact CG2-CE2 3.43Å; Y909-L913 HydrophobicContact CD1-CD2 4.4Å; Y909-L913 HydrophobicContact CD2-CD1 3.77Å; Y909-L913 HydrophobicContact CD2-CD2 3.95Å; Y909-L913 HydrophobicContact CD2-CG 4.35Å; Y909-L913 HydrophobicContact CE2-CD1 4.14Å; Y909-L913 HydrophobicContact CG-CD1 4.5Å; Y909-L913 HydrophobicContact CG-CD2 3.83Å; Y909-V927 HydrophobicContact CE2-CG2 4.4Å; Y909-H935 HydrophobicContact CD1-CB 4.32Å; Y909-H935 HydrophobicContact CE1-CB 3.67Å; Y909-H935 AromaticContact CE1-CG 3.98Å; Y909-T937 PolarHBondContact OH-OG1 3.13Å; Y909-F950 HydrophobicContact CD1-CB 3.67Å; Y909-F950 HydrophobicContact CD1-CD1 4.1Å; Y909-F950 AromaticContact CD1-CD2 3.9Å; Y909-F950 HydrophobicContact CD1-CD2 3.9Å; Y909-F950 AromaticContact CD1-CG 3.61Å; Y909-F950 HydrophobicContact CD1-CG 3.61Å; Y909-F950 HydrophobicContact CE1-CB 3.86Å; Y909-F950 HydrophobicContact CE1-CD1 4.25Å; Y909-F950 AromaticContact CE1-CD2 3.27Å; Y909-F950 HydrophobicContact CE1-CD2 3.27Å; Y909-F950 AromaticContact CE1-CE2 3.83Å; Y909-F950 HydrophobicContact CE1-CE2 3.83Å; Y909-F950 AromaticContact CE1-CG 3.52Å; Y909-F950 HydrophobicContact CE1-CG 3.52Å; Y909-F950 HydrophobicContact CG-CB 4.15Å; Y909-F950 AromaticContact CZ-CD2 3.93Å
910	D	90.9	Very high	91.1	Very high	77 Å²	77	42.3 Å²	42.3	41%	0.412	22%	0.215	S	C	.	.	S	Bend	trans	-94.2	-3.8	178.6	67.6	-29.6	0	0	0	113.3
911	R	93.7	Very high	91.2	Very high	117 Å²	117	40.4 Å²	40.4	44%	0.442	22%	0.216	S	C	.	.	S	Bend	trans	-137.3	150.5	-177.3	-61.9	-64.7	176.8	-108.3	0.3	111.3	M891 L913 N929	M891-R911 WeakPolarHBondContact CB-O 3.27Å; R911-L913 PolarHBondContact O-N 3.19Å; R911-N929 HydrophobicContact CB-CB 4.08Å
912	P	95	Very high	91.4	Very high	39 Å²	39	40.5 Å²	40.5	25%	0.253	21%	0.212	S	C	.	.			trans	-62.1	133	175.1	-22.7	32.9	0	0	0	111.3	L889 M891 N929 T930	L889-P912 HydrophobicContact CD2-CB 4.05Å; M891-P912 HydrophobicContact CG-CG 4.26Å; P912-N929 WeakPolarHBondContact O-CA 3.31Å; P912-T930 HydrophobicContact CB-CG2 3.91Å; P912-T930 PolarHBondContact O-N 3.3Å
913	L	96.7	Very high	91.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	150	-177.2	-51.1	179.4	0	0	0	110.3	T871 C887 S888 T892 L893 Y909 R911 V927 G928	T871-L913 WeakPolarHBondContact CG2-O 3.41Å; T871-L913 PolarHBondContact OG1-O 3.44Å; C887-L913 HydrophobicContact CB-CB 3.98Å; C887-L913 HydrophobicContact CB-CD1 4.08Å; S888-L913 WeakPolarHBondContact O-CB 3.34Å; S888-L913 PolarHBondContact O-N 3.07Å; T892-L913 WeakPolarHBondContact O-CD1 3.49Å; L893-L913 HydrophobicContact CB-CD1 3.99Å; Y909-L913 HydrophobicContact CD1-CD2 4.4Å; Y909-L913 HydrophobicContact CD2-CD1 3.77Å; Y909-L913 HydrophobicContact CD2-CD2 3.95Å; Y909-L913 HydrophobicContact CD2-CG 4.35Å; Y909-L913 HydrophobicContact CE2-CD1 4.14Å; Y909-L913 HydrophobicContact CG-CD1 4.5Å; Y909-L913 HydrophobicContact CG-CD2 3.83Å; R911-L913 PolarHBondContact O-N 3.19Å; L913-V927 HydrophobicContact CB-CG1 3.95Å; L913-V927 HydrophobicContact CD1-CG1 3.62Å; L913-V927 HydrophobicContact CD2-CG1 3.44Å; L913-V927 VanDerWaalsContact CD2-CG1 3.44Å; L913-V927 HydrophobicContact CG-CG1 3.83Å; L913-G928 WeakPolarHBondContact CA-O 3.15Å
914	T	95.3	Very high	91.7	Very high	10 Å²	10	32 Å²	32	6%	0.061	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	-32	-168.3	61.8	0	0	0	0	113.4	G928 N929 T930 Q967 V968	T914-G928 PolarHBondContact N-O 3.31Å; T914-G928 PolarHBondContact OG1-O 3.38Å; T914-N929 PolarHBondContact OG1-O 3.24Å; T914-T930 HydrophobicContact CG2-CG2 3.45Å; T914-T930 VanDerWaalsContact CG2-CG2 3.45Å; T914-Q967 HydrophobicContact CG2-CG 3.84Å; T914-V968 WeakPolarHBondContact CB-O 3.36Å; T914-V968 PolarHBondContact OG1-O 3.13Å
915	A	94.8	Very high	92	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	149	176.5	0	0	0	0	0	109.8	D872 V927 G928 V968 L971	D872-A915 WeakPolarHBondContact OD2-CA 3.33Å; A915-V927 WeakPolarHBondContact O-CA 3.46Å; A915-G928 PolarHBondContact O-N 2.94Å; A915-V968 HydrophobicContact CB-CG1 4.24Å; A915-L971 HydrophobicContact CB-CB 4.27Å; A915-L971 HydrophobicContact CB-CD1 4.08Å; A915-L971 HydrophobicContact CB-CG 4.01Å
916	C	95	Very high	92.2	Very high	4 Å²	4	28.9 Å²	28.9	3%	0.027	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142.1	175	65.5	0	0	0	0	111.5	D872 C887 L893 F926	D872-C916 VanDerWaalsContact C-SG 3.58Å; D872-C916 PolarHBondContact OD2-N 2.99Å; C887-C916 HydrophobicContact CB-CB 4.05Å; C887-C916 VanDerWaalsContact SG-SG 3.67Å; L893-C916 HydrophobicContact CD1-CB 4.19Å; C916-F926 CarbonylContact C-O 3.57Å; C916-F926 WeakPolarHBondContact CA-O 3.36Å
917	A	94.3	Very high	92.4	Very high	8 Å²	8	27.7 Å²	27.7	7%	0.066	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	150.7	173.9	0	0	0	0	0	110.3	F926 L971 V973	A917-F926 PolarHBondContact N-O 3.48Å; A917-F926 PolarHBondContact O-N 2.95Å; A917-L971 HydrophobicContact CB-CB 3.82Å; A917-V973 HydrophobicContact CB-CG2 3.95Å
918	V	93.7	Very high	92.5	Very high	18 Å²	18	27.7 Å²	27.7	11%	0.109	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.8	-179.6	-174.8	0	0	0	0	108.1	A874 Y885 E922 I925	A874-V918 HydrophobicContact CB-CG2 4.18Å; Y885-V918 HydrophobicContact CD1-CG2 3.91Å; Y885-V918 HydrophobicContact CD2-CB 4.42Å; Y885-V918 HydrophobicContact CD2-CG2 3.58Å; Y885-V918 HydrophobicContact CE1-CG2 4.17Å; Y885-V918 HydrophobicContact CE2-CB 4.33Å; Y885-V918 HydrophobicContact CE2-CG1 4.03Å; Y885-V918 HydrophobicContact CE2-CG2 3.84Å; Y885-V918 HydrophobicContact CG-CG2 3.62Å; V918-E922 HydrophobicContact CG1-CB 4.47Å; V918-E922 HydrophobicContact CG1-CG 4.49Å; V918-I925 HydrophobicContact CG2-CG1 4.21Å; V918-I925 HydrophobicContact CG2-CG2 4.19Å
919	D	90	Very high	92.5	Very high	11 Å²	11	25.6 Å²	25.6	6%	0.059	14%	0.144	C	C	.	.			trans	-72.1	162.5	171.3	87.4	21.2	0	0	0	111.8	A921 E922 S923 M924 V973	D919-A921 PolarHBondContact O-N 3.44Å; D919-A921 WeakPolarHBondContact OD1-CA 3.47Å; D919-A921 VanDerWaalsContact OD1-CB 3.29Å; D919-A921 WeakPolarHBondContact OD1-CB 3.33Å; D919-A921 PolarHBondContact OD1-N 3.39Å; D919-E922 PolarHBondContact O-N 3.26Å; D919-E922 PolarHBondContact OD1-N 3.5Å; D919-S923 PolarHBondContact OD1-N 3.48Å; D919-S923 PolarHBondContact OD2-OG 3.28Å; D919-M924 PolarHBondContact N-O 3.49Å; D919-M924 VanDerWaalsContact N-O 3.16Å; D919-M924 PolarHBondContact OD2-N 3.4Å; D919-V973 HydrophobicContact CB-CG1 4.18Å
920	N	85.7	Confident	92.5	Very high	80 Å²	80	27.8 Å²	27.8	43%	0.428	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.9	-179.3	-73.1	28.8	0	0	0	114.1	E922	N920-E922 VanDerWaalsContact C-N 3.27Å
921	A	83.2	Confident	92.6	Very high	74 Å²	74	27.5 Å²	27.5	61%	0.612	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-0	173.6	0	0	0	0	0	112.9	D919 S923	D919-A921 PolarHBondContact O-N 3.44Å; D919-A921 WeakPolarHBondContact OD1-CA 3.47Å; D919-A921 VanDerWaalsContact OD1-CB 3.29Å; D919-A921 WeakPolarHBondContact OD1-CB 3.33Å; D919-A921 PolarHBondContact OD1-N 3.39Å; A921-S923 PolarHBondContact O-N 2.98Å; A921-S923 VanDerWaalsContact O-N 3.14Å
922	E	86.6	Confident	92.5	Very high	18 Å²	18	22 Å²	22	8%	0.084	14%	0.137	C	C	.	.	S	Bend	trans	51.2	30.6	-172.6	-59.4	-178.8	-165.7	0	0	113.1	G876 S877 G878 V918 D919 N920 L939 Y940	G876-E922 VanDerWaalsContact C-OE1 3.28Å; G876-E922 WeakPolarHBondContact CA-OE1 3.1Å; S877-E922 PolarHBondContact N-OE1 2.91Å; S877-E922 VanDerWaalsContact N-OE1 3.15Å; G878-E922 PolarHBondContact N-OE1 2.92Å; V918-E922 HydrophobicContact CG1-CB 4.47Å; V918-E922 HydrophobicContact CG1-CG 4.49Å; D919-E922 PolarHBondContact O-N 3.26Å; D919-E922 PolarHBondContact OD1-N 3.5Å; N920-E922 VanDerWaalsContact C-N 3.27Å; E922-L939 WeakPolarHBondContact O-CD1 3.38Å; E922-Y940 WeakPolarHBondContact O-CE2 3.29Å
923	S	86.9	Confident	92.5	Very high	33 Å²	33	22.1 Å²	22.1	23%	0.231	14%	0.136	C	C	.	.			trans	-94.7	-31.1	-173.2	86.5	0	0	0	0	113.2	D919 A921 L939	D919-S923 PolarHBondContact OD1-N 3.48Å; D919-S923 PolarHBondContact OD2-OG 3.28Å; A921-S923 PolarHBondContact O-N 2.98Å; A921-S923 VanDerWaalsContact O-N 3.14Å; S923-L939 PolarHBondContact O-N 3.15Å
924	M	91.8	Very high	92.4	Very high	44 Å²	44	22 Å²	22	22%	0.217	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135	-179.6	-54.8	-174.2	-163.5	0	0	110.2	D919 F926 L936 T937 R938	D919-M924 PolarHBondContact N-O 3.49Å; D919-M924 VanDerWaalsContact N-O 3.16Å; D919-M924 PolarHBondContact OD2-N 3.4Å; M924-F926 HydrophobicContact CB-CE2 3.95Å; M924-F926 HydrophobicContact CB-CZ 4.21Å; M924-L936 HydrophobicContact CB-CD1 4.28Å; M924-L936 HydrophobicContact CG-CD1 4.39Å; M924-L936 HydrophobicContact SD-CD1 3.72Å; M924-T937 WeakPolarHBondContact CA-O 3.26Å; M924-R938 HydrophobicContact CG-CG 4.36Å
925	I	93.2	Very high	92.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135.2	170.9	-53.3	170.2	0	0	0	108.4	Y885 L893 V895 V918 V927 L936 T937 L939	Y885-I925 HydrophobicContact CD1-CD1 3.75Å; Y885-I925 HydrophobicContact CD1-CG1 4.17Å; Y885-I925 HydrophobicContact CE1-CD1 3.57Å; Y885-I925 HydrophobicContact CE1-CG1 3.91Å; L893-I925 HydrophobicContact CD2-CD1 3.9Å; L893-I925 HydrophobicContact CD2-CG2 3.76Å; V895-I925 HydrophobicContact CG2-CD1 4.42Å; V918-I925 HydrophobicContact CG2-CG1 4.21Å; V918-I925 HydrophobicContact CG2-CG2 4.19Å; I925-V927 HydrophobicContact CG2-CG2 3.83Å; I925-L936 CarbonylContact O-C 3.51Å; I925-L936 VanDerWaalsContact O-CA 3.26Å; I925-L936 WeakPolarHBondContact O-CA 3.28Å; I925-T937 PolarHBondContact N-O 3.13Å; I925-T937 PolarHBondContact O-N 2.91Å; I925-L939 HydrophobicContact CD1-CD1 3.8Å; I925-L939 HydrophobicContact CD1-CD2 3.72Å; I925-L939 HydrophobicContact CD1-CG 3.9Å; I925-L939 HydrophobicContact CG1-CD1 3.93Å; I925-L939 HydrophobicContact CG1-CD2 4.46Å; I925-L939 HydrophobicContact CG1-CG 4.12Å
926	F	95.4	Very high	92.4	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.5	172.9	-59.2	-89.9	0	0	0	109.6	C916 A917 M924 I934 H935 L936 F961 L971 V973 V980 T994	C916-F926 CarbonylContact C-O 3.57Å; C916-F926 WeakPolarHBondContact CA-O 3.36Å; A917-F926 PolarHBondContact N-O 3.48Å; A917-F926 PolarHBondContact O-N 2.95Å; M924-F926 HydrophobicContact CB-CE2 3.95Å; M924-F926 HydrophobicContact CB-CZ 4.21Å; F926-I934 HydrophobicContact CB-CG2 4.32Å; F926-H935 CarbonylContact C-O 3.51Å; F926-H935 WeakPolarHBondContact CA-O 3.45Å; F926-L936 HydrophobicContact CD1-CB 3.93Å; F926-L936 HydrophobicContact CD1-CD1 4.22Å; F926-L936 HydrophobicContact CE1-CB 3.85Å; F926-L936 HydrophobicContact CE1-CD1 3.33Å; F926-L936 HydrophobicContact CE1-CG 4.07Å; F926-L936 HydrophobicContact CZ-CD1 3.54Å; F926-L936 HydrophobicContact CZ-CG 4.48Å; F926-F961 AromaticContact CD1-CE2 3.99Å; F926-F961 HydrophobicContact CD1-CE2 3.99Å; F926-F961 HydrophobicContact CD1-CZ 4.47Å; F926-F961 AromaticContact CE1-CE2 3.88Å; F926-F961 HydrophobicContact CE1-CE2 3.88Å; F926-F961 AromaticContact CE1-CZ 3.94Å; F926-F961 HydrophobicContact CE1-CZ 3.94Å; F926-L971 HydrophobicContact CB-CD1 4.43Å; F926-V973 HydrophobicContact CD2-CG2 3.46Å; F926-V973 VanDerWaalsContact CD2-CG2 3.46Å; F926-V973 HydrophobicContact CE2-CG1 4.31Å; F926-V973 HydrophobicContact CE2-CG2 3.64Å; F926-V973 HydrophobicContact CG-CG2 4.41Å; F926-V980 HydrophobicContact CD1-CG1 4.37Å; F926-V980 HydrophobicContact CD1-CG2 3.65Å; F926-V980 HydrophobicContact CD2-CG2 4.01Å; F926-V980 HydrophobicContact CE1-CG2 3.33Å; F926-V980 HydrophobicContact CE2-CG2 3.73Å; F926-V980 HydrophobicContact CG-CG2 3.96Å; F926-V980 HydrophobicContact CZ-CG2 3.37Å; F926-T994 HydrophobicContact CE1-CG2 4.07Å; F926-T994 HydrophobicContact CE2-CG2 4.48Å; F926-T994 HydrophobicContact CZ-CG2 3.54Å
927	V	95.9	Very high	92.2	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	125.8	-178.5	-170.5	0	0	0	0	109.4	L893 Y909 L913 A915 I925 I934 H935	L893-V927 HydrophobicContact CD1-CG2 4.05Å; L893-V927 HydrophobicContact CD2-CG2 4.04Å; L893-V927 HydrophobicContact CG-CG2 4.49Å; Y909-V927 HydrophobicContact CE2-CG2 4.4Å; L913-V927 HydrophobicContact CB-CG1 3.95Å; L913-V927 HydrophobicContact CD1-CG1 3.62Å; L913-V927 HydrophobicContact CD2-CG1 3.44Å; L913-V927 VanDerWaalsContact CD2-CG1 3.44Å; L913-V927 HydrophobicContact CG-CG1 3.83Å; A915-V927 WeakPolarHBondContact O-CA 3.46Å; I925-V927 HydrophobicContact CG2-CG2 3.83Å; V927-I934 CarbonylContact O-C 3.57Å; V927-I934 VanDerWaalsContact O-CA 3.31Å; V927-I934 WeakPolarHBondContact O-CA 3.38Å; V927-H935 PolarHBondContact N-O 3.47Å; V927-H935 PolarHBondContact O-N 3.36Å
928	G	95.8	Very high	92	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	147.3	177.1	0	0	0	0	0	111.3	L913 T914 A915	L913-G928 WeakPolarHBondContact CA-O 3.15Å; T914-G928 PolarHBondContact N-O 3.31Å; T914-G928 PolarHBondContact OG1-O 3.38Å; A915-G928 PolarHBondContact O-N 2.94Å
929	N	94.7	Very high	91.5	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	175.9	-179.9	74.8	18.7	0	0	0	113.1	R911 P912 T914 V931 G932 D933 V968	R911-N929 HydrophobicContact CB-CB 4.08Å; P912-N929 WeakPolarHBondContact O-CA 3.31Å; T914-N929 PolarHBondContact OG1-O 3.24Å; N929-V931 VanDerWaalsContact C-N 3.28Å; N929-V931 PolarHBondContact O-N 2.97Å; N929-V931 WeakPolarHBondContact OD1-CA 3.25Å; N929-V931 PolarHBondContact OD1-N 3.2Å; N929-G932 PolarHBondContact OD1-N 3.4Å; N929-D933 VanDerWaalsContact CG-O 3.27Å; N929-D933 PolarHBondContact N-O 3.09Å; N929-D933 WeakPolarHBondContact ND2-CB 3.49Å; N929-D933 PolarHBondContact ND2-OD2 3.02Å; N929-D933 PolarHBondContact OD1-N 3.35Å; N929-D933 PolarHBondContact OD1-O 3.36Å; N929-V968 PolarHBondContact O-N 2.99Å; N929-V968 VanDerWaalsContact O-N 3.1Å
930	T	94.8	Very high	91	Very high	49 Å²	49	30.3 Å²	30.3	30%	0.301	16%	0.164	S	C	.	.	S	Bend	trans	-68.9	-18	176.3	48.1	0	0	0	0	115.1	P912 T914 Q967	P912-T930 HydrophobicContact CB-CG2 3.91Å; P912-T930 PolarHBondContact O-N 3.3Å; T914-T930 HydrophobicContact CG2-CG2 3.45Å; T914-T930 VanDerWaalsContact CG2-CG2 3.45Å; T930-Q967 WeakPolarHBondContact O-CA 3.4Å; T930-Q967 VanDerWaalsContact O-CB 3.31Å; T930-Q967 WeakPolarHBondContact O-CB 3.1Å; T930-Q967 PolarHBondContact O-N 2.89Å
931	V	92.9	Very high	90.2	Very high	71 Å²	71	30.2 Å²	30.2	43%	0.43	17%	0.168	S	C	.	.	S	Bend	trans	-88.6	-33.6	-178.4	-179.2	0	0	0	0	111.3	N929 T965 S966	N929-V931 VanDerWaalsContact C-N 3.28Å; N929-V931 PolarHBondContact O-N 2.97Å; N929-V931 WeakPolarHBondContact OD1-CA 3.25Å; N929-V931 PolarHBondContact OD1-N 3.2Å; V931-T965 CarbonylContact O-C 3.59Å; V931-S966 CarbonylContact O-C 3.58Å; V931-S966 VanDerWaalsContact O-C 3.28Å; V931-S966 VanDerWaalsContact O-CA 3.26Å; V931-S966 WeakPolarHBondContact O-CA 3.48Å; V931-S966 PolarHBondContact O-N 2.84Å
932	G	91.2	Very high	89.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	126.5	-9.6	-174.4	0	0	0	0	0	114.5	N929 H964 S966	N929-G932 PolarHBondContact OD1-N 3.4Å; G932-H964 WeakPolarHBondContact O-CB 3.49Å; G932-S966 WeakPolarHBondContact CA-O 3.38Å
933	D	94.1	Very high	88.4	Confident	42 Å²	42	36.8 Å²	36.8	23%	0.225	20%	0.198	C	C	.	.			trans	-76.8	146.1	179	-41.8	-52.6	0	0	0	110.9	N929	N929-D933 VanDerWaalsContact CG-O 3.27Å; N929-D933 PolarHBondContact N-O 3.09Å; N929-D933 WeakPolarHBondContact ND2-CB 3.49Å; N929-D933 PolarHBondContact ND2-OD2 3.02Å; N929-D933 PolarHBondContact OD1-N 3.35Å; N929-D933 PolarHBondContact OD1-O 3.36Å
934	I	95.8	Very high	87.4	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.9	174.4	-54.5	157.5	0	0	0	107.2	F926 V927 T960 F961 V968 L971 S982 W992	F926-I934 HydrophobicContact CB-CG2 4.32Å; V927-I934 CarbonylContact O-C 3.57Å; V927-I934 VanDerWaalsContact O-CA 3.31Å; V927-I934 WeakPolarHBondContact O-CA 3.38Å; I934-T960 CarbonylContact O-C 3.56Å; I934-T960 WeakPolarHBondContact O-CA 3.34Å; I934-F961 HydrophobicContact CB-CB 4.14Å; I934-F961 HydrophobicContact CB-CD2 4.09Å; I934-F961 HydrophobicContact CG2-CD2 4.08Å; I934-F961 PolarHBondContact N-O 3.42Å; I934-F961 WeakPolarHBondContact O-CD2 3.4Å; I934-F961 PolarHBondContact O-N 2.74Å; I934-V968 HydrophobicContact CG1-CG2 4.07Å; I934-L971 HydrophobicContact CD1-CD2 3.77Å; I934-L971 HydrophobicContact CG1-CD2 4.05Å; I934-L971 HydrophobicContact CG2-CD1 3.98Å; I934-L971 HydrophobicContact CG2-CD2 4.1Å; I934-S982 VanDerWaalsContact CD1-CB 3.45Å; I934-W992 HydrophobicContact CD1-CZ2 4.28Å
935	H	94.4	Very high	86.5	Confident	13 Å²	13	40.2 Å²	40.2	6%	0.06	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.8	177.1	-59.7	-81.7	0	0	0	109.3	Y909 F926 V927 F950 T960	Y909-H935 HydrophobicContact CD1-CB 4.32Å; Y909-H935 HydrophobicContact CE1-CB 3.67Å; Y909-H935 AromaticContact CE1-CG 3.98Å; F926-H935 CarbonylContact C-O 3.51Å; F926-H935 WeakPolarHBondContact CA-O 3.45Å; V927-H935 PolarHBondContact N-O 3.47Å; V927-H935 PolarHBondContact O-N 3.36Å; H935-F950 HydrophobicContact CB-CE1 4.45Å; H935-F950 HydrophobicContact CB-CE2 3.91Å; H935-F950 HydrophobicContact CB-CZ 3.81Å; H935-F950 AromaticContact CE1-CE1 3.99Å; H935-F950 AromaticContact CG-CZ 3.91Å; H935-F950 AromaticContact ND1-CE1 3.29Å; H935-F950 VanDerWaalsContact ND1-CE1 3.29Å; H935-F950 WeakPolarHBondContact ND1-CE1 3.19Å; H935-F950 AromaticContact ND1-CZ 3.41Å; H935-F950 WeakPolarHBondContact ND1-CZ 3.49Å; H935-T960 VanDerWaalsContact ND1-CG2 3.31Å; H935-T960 WeakPolarHBondContact ND1-CG2 3.5Å
936	L	94.2	Very high	85.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	137.9	166.3	161.2	153.3	0	0	0	109.6	M924 I925 F926 R938 T958 Q959 F961	M924-L936 HydrophobicContact CB-CD1 4.28Å; M924-L936 HydrophobicContact CG-CD1 4.39Å; M924-L936 HydrophobicContact SD-CD1 3.72Å; I925-L936 CarbonylContact O-C 3.51Å; I925-L936 VanDerWaalsContact O-CA 3.26Å; I925-L936 WeakPolarHBondContact O-CA 3.28Å; F926-L936 HydrophobicContact CD1-CB 3.93Å; F926-L936 HydrophobicContact CD1-CD1 4.22Å; F926-L936 HydrophobicContact CE1-CB 3.85Å; F926-L936 HydrophobicContact CE1-CD1 3.33Å; F926-L936 HydrophobicContact CE1-CG 4.07Å; F926-L936 HydrophobicContact CZ-CD1 3.54Å; F926-L936 HydrophobicContact CZ-CG 4.48Å; L936-R938 HydrophobicContact CD2-CG 3.8Å; L936-T958 VanDerWaalsContact O-CA 3.32Å; L936-T958 WeakPolarHBondContact O-CA 3.4Å; L936-Q959 HydrophobicContact CB-CB 4.2Å; L936-Q959 HydrophobicContact CD2-CB 3.68Å; L936-Q959 HydrophobicContact CG-CB 4.47Å; L936-Q959 PolarHBondContact N-O 3.36Å; L936-Q959 PolarHBondContact O-N 2.82Å; L936-F961 HydrophobicContact CB-CE2 3.65Å; L936-F961 HydrophobicContact CB-CZ 4.34Å; L936-F961 HydrophobicContact CD1-CE2 4.46Å; L936-F961 HydrophobicContact CD1-CZ 4.36Å
937	T	91.2	Very high	85.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.2	170.5	-55	0	0	0	0	109.5	I907 Y909 M924 I925 L953 I957	I907-T937 HydrophobicContact CD1-CG2 4.06Å; Y909-T937 PolarHBondContact OH-OG1 3.13Å; M924-T937 WeakPolarHBondContact CA-O 3.26Å; I925-T937 PolarHBondContact N-O 3.13Å; I925-T937 PolarHBondContact O-N 2.91Å; T937-L953 HydrophobicContact CG2-CD1 4.09Å; T937-I957 CarbonylContact C-O 3.6Å; T937-I957 WeakPolarHBondContact CA-O 3.32Å
938	R	90.4	Very high	84.6	Confident	48 Å²	48	52.7 Å²	52.7	18%	0.181	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	117	174.1	-57.3	-172.6	176.6	84.6	11.2	109.3	M924 L936 N956 I957	M924-R938 HydrophobicContact CG-CG 4.36Å; L936-R938 HydrophobicContact CD2-CG 3.8Å; R938-N956 PolarHBondContact NH1-O 3.44Å; R938-I957 PolarHBondContact N-O 2.67Å
939	L	83.3	Confident	84.2	Confident	20 Å²	20	59.9 Å²	59.9	11%	0.105	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-30	-171.9	-73	176.2	0	0	0	114.3	Y885 L905 E922 S923 I925 L944	Y885-L939 HydrophobicContact CE1-CD1 4.36Å; L905-L939 HydrophobicContact CD2-CD2 3.68Å; E922-L939 WeakPolarHBondContact O-CD1 3.38Å; S923-L939 PolarHBondContact O-N 3.15Å; I925-L939 HydrophobicContact CD1-CD1 3.8Å; I925-L939 HydrophobicContact CD1-CD2 3.72Å; I925-L939 HydrophobicContact CD1-CG 3.9Å; I925-L939 HydrophobicContact CG1-CD1 3.93Å; I925-L939 HydrophobicContact CG1-CD2 4.46Å; I925-L939 HydrophobicContact CG1-CG 4.12Å; L939-L944 HydrophobicContact CD2-CD1 3.81Å
940	Y	79	Confident	83.8	Confident	144 Å²	144	60.9 Å²	60.9	57%	0.565	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	12.6	-169.2	-56.7	-63.6	0	0	0	114.7	K883 E922	K883-Y940 PolarHBondContact NZ-OH 3.49Å; E922-Y940 WeakPolarHBondContact O-CE2 3.29Å
941	C	68.6	Low	83.2	Confident	77 Å²	77	62.9 Å²	62.9	52%	0.52	33%	0.329	S	S	.	.	S	Bend	trans	-77.9	-39.7	175.9	-79	0	0	0	0	112.2	I957	C941-I957 HydrophobicContact CB-CB 4.34Å; C941-I957 HydrophobicContact CB-CG2 3.29Å
942	E	64.8	Low	82.8	Confident	99 Å²	99	64.1 Å²	64.1	46%	0.463	34%	0.341	S	S	.	.	S	Bend	trans	-142.9	149.2	-179.7	-68.5	179.9	-177.6	0	0	109	L944 I957	E942-L944 PolarHBondContact O-N 3.16Å; E942-L944 VanDerWaalsContact O-N 3.09Å; E942-I957 HydrophobicContact CG-CG2 4.42Å
943	P	68.2	Low	82.5	Confident	132 Å²	132	65.1 Å²	65.1	86%	0.857	35%	0.346	S	S	*	.			trans	-66.2	111.6	176.8	27	-32.5	0	0	0	110.1
944	L	66	Low	81.9	Confident	45 Å²	45	64.9 Å²	64.9	24%	0.236	35%	0.348	C	S	.	.			trans	-78.9	134.8	173.4	-63.6	170.8	0	0	0	109.8	L905 L939 E942 V948 L953 I957	L905-L944 HydrophobicContact CD1-CB 3.83Å; L905-L944 HydrophobicContact CD2-CD1 3.92Å; L939-L944 HydrophobicContact CD2-CD1 3.81Å; E942-L944 PolarHBondContact O-N 3.16Å; E942-L944 VanDerWaalsContact O-N 3.09Å; L944-V948 HydrophobicContact CB-CG2 4.32Å; L944-V948 HydrophobicContact CD2-CG2 4.33Å; L944-L953 HydrophobicContact CD2-CD2 3.46Å; L944-L953 VanDerWaalsContact CD2-CD2 3.46Å; L944-I957 HydrophobicContact CD2-CD1 4.26Å
945	V	73	Confident	81.1	Confident	104 Å²	104	71.8 Å²	71.8	63%	0.63	39%	0.385	S	S	*	.			trans	-71.6	157	171	-177.2	0	0	0	0	109.2	L905 Q947 V948	L905-V945 WeakPolarHBondContact CD1-O 3.49Å; V945-Q947 PolarHBondContact O-N 3.39Å; V945-V948 HydrophobicContact CB-CG2 4.29Å; V945-V948 WeakPolarHBondContact O-CG2 3.06Å
946	D	75.9	Confident	80.5	Confident	117 Å²	117	77.2 Å²	77.2	63%	0.626	41%	0.414	S	S	*	.	S	Bend	trans	-46.9	-35.5	179.4	-70.1	3.3	0	0	0	114.5	L905 E906	L905-D946 CarbonylContact C-O 3.48Å; L905-D946 WeakPolarHBondContact CA-O 3.42Å; E906-D946 PolarHBondContact N-O 3.46Å
947	Q	82.5	Confident	80	Confident	121 Å²	121	77.3 Å²	77.3	57%	0.565	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.7	175.3	-68.4	-172.6	-27	0	0	110.5	E906 V945	E906-Q947 HydrophobicContact CB-CG 4.12Å; E906-Q947 WeakPolarHBondContact O-CA 3.24Å; E906-Q947 PolarHBondContact OE2-NE2 3.34Å; V945-Q947 PolarHBondContact O-N 3.39Å
948	V	86.3	Confident	79.9	Confident	24 Å²	24	78 Å²	78	15%	0.145	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	144.1	178.7	-162.2	0	0	0	0	111	L905 E906 I907 V908 L944 V945 L953	L905-V948 HydrophobicContact CD1-CG2 4.48Å; E906-V948 PolarHBondContact O-N 3.4Å; I907-V948 CarbonylContact C-O 3.28Å; I907-V948 VanDerWaalsContact CA-O 3.3Å; I907-V948 WeakPolarHBondContact CA-O 3.34Å; V908-V948 PolarHBondContact N-O 2.91Å; L944-V948 HydrophobicContact CB-CG2 4.32Å; L944-V948 HydrophobicContact CD2-CG2 4.33Å; V945-V948 HydrophobicContact CB-CG2 4.29Å; V945-V948 WeakPolarHBondContact O-CG2 3.06Å; V948-L953 HydrophobicContact CB-CD2 4.26Å; V948-L953 HydrophobicContact CG1-CD2 3.35Å; V948-L953 HydrophobicContact CG1-CG 4.03Å
949	R	86.1	Confident	79.9	Confident	152 Å²	152	77.7 Å²	77.7	57%	0.574	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	130.9	172.1	-158.7	175.7	-169.6	157.8	2.8	109.3	V908 S951 S952	V908-R949 HydrophobicContact CB-CG 4.41Å; V908-R949 CarbonylContact O-C 3.56Å; V908-R949 WeakPolarHBondContact O-CA 3.41Å; R949-S951 PolarHBondContact O-N 3.13Å; R949-S952 WeakPolarHBondContact O-CA 3.27Å; R949-S952 WeakPolarHBondContact O-CB 3.45Å; R949-S952 PolarHBondContact O-N 3.49Å
950	F	86.1	Confident	80.3	Confident	21 Å²	21	80.2 Å²	80.2	9%	0.092	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-55	-40.1	-178.1	-179.1	-96.7	0	0	0	112.3	I907 V908 Y909 H935 S952 L953 T958 T960	I907-F950 HydrophobicContact CG2-CB 4.22Å; V908-F950 PolarHBondContact O-N 3.4Å; Y909-F950 HydrophobicContact CD1-CB 3.67Å; Y909-F950 HydrophobicContact CD1-CD1 4.1Å; Y909-F950 AromaticContact CD1-CD2 3.9Å; Y909-F950 HydrophobicContact CD1-CD2 3.9Å; Y909-F950 AromaticContact CD1-CG 3.61Å; Y909-F950 HydrophobicContact CD1-CG 3.61Å; Y909-F950 HydrophobicContact CE1-CB 3.86Å; Y909-F950 HydrophobicContact CE1-CD1 4.25Å; Y909-F950 AromaticContact CE1-CD2 3.27Å; Y909-F950 HydrophobicContact CE1-CD2 3.27Å; Y909-F950 AromaticContact CE1-CE2 3.83Å; Y909-F950 HydrophobicContact CE1-CE2 3.83Å; Y909-F950 AromaticContact CE1-CG 3.52Å; Y909-F950 HydrophobicContact CE1-CG 3.52Å; Y909-F950 HydrophobicContact CG-CB 4.15Å; Y909-F950 AromaticContact CZ-CD2 3.93Å; H935-F950 HydrophobicContact CB-CE1 4.45Å; H935-F950 HydrophobicContact CB-CE2 3.91Å; H935-F950 HydrophobicContact CB-CZ 3.81Å; H935-F950 AromaticContact CE1-CE1 3.99Å; H935-F950 AromaticContact CG-CZ 3.91Å; H935-F950 AromaticContact ND1-CE1 3.29Å; H935-F950 VanDerWaalsContact ND1-CE1 3.29Å; H935-F950 WeakPolarHBondContact ND1-CE1 3.19Å; H935-F950 AromaticContact ND1-CZ 3.41Å; H935-F950 WeakPolarHBondContact ND1-CZ 3.49Å; F950-S952 PolarHBondContact O-N 3.38Å; F950-S952 VanDerWaalsContact O-N 3.17Å; F950-L953 HydrophobicContact CD2-CD1 4.03Å; F950-L953 WeakPolarHBondContact O-CB 3.29Å; F950-L953 PolarHBondContact O-N 3.42Å; F950-L953 VanDerWaalsContact O-N 3.12Å; F950-T958 HydrophobicContact CD2-CG2 3.95Å; F950-T958 HydrophobicContact CE2-CG2 3.42Å; F950-T958 VanDerWaalsContact CE2-CG2 3.42Å; F950-T958 HydrophobicContact CZ-CG2 3.82Å; F950-T960 HydrophobicContact CE1-CG2 4.26Å; F950-T960 HydrophobicContact CZ-CG2 4.19Å
951	S	83.2	Confident	81	Confident	91 Å²	91	73.4 Å²	73.4	64%	0.636	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-66.3	-14.9	177.4	66.6	0	0	0	0	114.8	R949	R949-S951 PolarHBondContact O-N 3.13Å
952	S	84.2	Confident	82.1	Confident	96 Å²	96	74 Å²	74	67%	0.671	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-93.9	-8.9	177.5	-172.3	0	0	0	0	112.6	R949 F950	R949-S952 WeakPolarHBondContact O-CA 3.27Å; R949-S952 WeakPolarHBondContact O-CB 3.45Å; R949-S952 PolarHBondContact O-N 3.49Å; F950-S952 PolarHBondContact O-N 3.38Å; F950-S952 VanDerWaalsContact O-N 3.17Å
953	L	84.2	Confident	83.1	Confident	21 Å²	21	70.6 Å²	70.6	11%	0.11	40%	0.401	C	S	.	.	S	Bend	trans	-77.1	153.5	179.4	-63.3	176.4	0	0	0	110.4	T937 L944 V948 F950 I957 T958	T937-L953 HydrophobicContact CG2-CD1 4.09Å; L944-L953 HydrophobicContact CD2-CD2 3.46Å; L944-L953 VanDerWaalsContact CD2-CD2 3.46Å; V948-L953 HydrophobicContact CB-CD2 4.26Å; V948-L953 HydrophobicContact CG1-CD2 3.35Å; V948-L953 HydrophobicContact CG1-CG 4.03Å; F950-L953 HydrophobicContact CD2-CD1 4.03Å; F950-L953 WeakPolarHBondContact O-CB 3.29Å; F950-L953 PolarHBondContact O-N 3.42Å; F950-L953 VanDerWaalsContact O-N 3.12Å; L953-I957 HydrophobicContact CB-CD1 3.82Å; L953-I957 HydrophobicContact CB-CG1 3.99Å; L953-I957 HydrophobicContact CD2-CD1 3.66Å; L953-I957 HydrophobicContact CG-CD1 4.21Å; L953-T958 HydrophobicContact CB-CG2 3.45Å; L953-T958 VanDerWaalsContact CB-CG2 3.45Å; L953-T958 HydrophobicContact CD1-CG2 3.68Å; L953-T958 HydrophobicContact CG-CG2 4.21Å
954	S	81.7	Confident	84.3	Confident	38 Å²	38	64.8 Å²	64.8	27%	0.266	36%	0.363	S	S	.	.			trans	-73.6	154.9	178	64.5	0	0	0	0	112.4	N956 I957 T958	S954-N956 PolarHBondContact O-N 2.9Å; S954-I957 VanDerWaalsContact O-CG1 3.31Å; S954-I957 WeakPolarHBondContact O-CG1 3.36Å; S954-I957 PolarHBondContact O-N 2.88Å; S954-T958 PolarHBondContact O-N 2.83Å; S954-T958 VanDerWaalsContact O-N 3.13Å; S954-T958 PolarHBondContact O-OG1 3.23Å
955	D	80	Confident	85.6	Confident	145 Å²	145	68.4 Å²	68.4	78%	0.775	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.8	176.3	-67	-26	0	0	0	112.9
956	N	81	Confident	86.6	Confident	126 Å²	126	65.5 Å²	65.5	67%	0.674	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-34.6	176.4	-70.7	-27.4	0	0	0	112	R938 S954	R938-N956 PolarHBondContact NH1-O 3.44Å; S954-N956 PolarHBondContact O-N 2.9Å
957	I	84.3	Confident	87.5	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.01	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-18.3	-176.5	68.6	-177.6	0	0	0	112.3	T937 R938 C941 E942 L944 L953 S954	T937-I957 CarbonylContact C-O 3.6Å; T937-I957 WeakPolarHBondContact CA-O 3.32Å; R938-I957 PolarHBondContact N-O 2.67Å; C941-I957 HydrophobicContact CB-CB 4.34Å; C941-I957 HydrophobicContact CB-CG2 3.29Å; E942-I957 HydrophobicContact CG-CG2 4.42Å; L944-I957 HydrophobicContact CD2-CD1 4.26Å; L953-I957 HydrophobicContact CB-CD1 3.82Å; L953-I957 HydrophobicContact CB-CG1 3.99Å; L953-I957 HydrophobicContact CD2-CD1 3.66Å; L953-I957 HydrophobicContact CG-CD1 4.21Å; S954-I957 VanDerWaalsContact O-CG1 3.31Å; S954-I957 WeakPolarHBondContact O-CG1 3.36Å; S954-I957 PolarHBondContact O-N 2.88Å
958	T	88	Confident	88.2	Confident	15 Å²	15	56.5 Å²	56.5	9%	0.092	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	154.8	178.3	60.9	0	0	0	0	112.1	L936 F950 L953 S954	L936-T958 VanDerWaalsContact O-CA 3.32Å; L936-T958 WeakPolarHBondContact O-CA 3.4Å; F950-T958 HydrophobicContact CD2-CG2 3.95Å; F950-T958 HydrophobicContact CE2-CG2 3.42Å; F950-T958 VanDerWaalsContact CE2-CG2 3.42Å; F950-T958 HydrophobicContact CZ-CG2 3.82Å; L953-T958 HydrophobicContact CB-CG2 3.45Å; L953-T958 VanDerWaalsContact CB-CG2 3.45Å; L953-T958 HydrophobicContact CD1-CG2 3.68Å; L953-T958 HydrophobicContact CG-CG2 4.21Å; S954-T958 PolarHBondContact O-N 2.83Å; S954-T958 VanDerWaalsContact O-N 3.13Å; S954-T958 PolarHBondContact O-OG1 3.23Å
959	Q	91.2	Very high	88.6	Confident	41 Å²	41	59.3 Å²	59.3	19%	0.192	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	144.4	170	-169.3	166.7	6.9	0	0	108.9	L936 N996 G997	L936-Q959 HydrophobicContact CB-CB 4.2Å; L936-Q959 HydrophobicContact CD2-CB 3.68Å; L936-Q959 HydrophobicContact CG-CB 4.47Å; L936-Q959 PolarHBondContact N-O 3.36Å; L936-Q959 PolarHBondContact O-N 2.82Å; Q959-N996 PolarHBondContact NE2-O 2.96Å; Q959-G997 VanDerWaalsContact NE2-CA 3.26Å; Q959-G997 VanDerWaalsContact NE2-N 3.11Å
960	T	91.7	Very high	89	Confident	74 Å²	74	52.2 Å²	52.2	45%	0.454	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.2	178.5	58.2	0	0	0	0	110.2	I934 H935 F950	I934-T960 CarbonylContact O-C 3.56Å; I934-T960 WeakPolarHBondContact O-CA 3.34Å; H935-T960 VanDerWaalsContact ND1-CG2 3.31Å; H935-T960 WeakPolarHBondContact ND1-CG2 3.5Å; F950-T960 HydrophobicContact CE1-CG2 4.26Å; F950-T960 HydrophobicContact CZ-CG2 4.19Å
961	F	93.4	Very high	89.4	Confident	1 Å²	1	51.7 Å²	51.7	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	109	173.3	-49.4	-101.6	0	0	0	107.6	F926 I934 L936 W992 G997	F926-F961 AromaticContact CD1-CE2 3.99Å; F926-F961 HydrophobicContact CD1-CE2 3.99Å; F926-F961 HydrophobicContact CD1-CZ 4.47Å; F926-F961 AromaticContact CE1-CE2 3.88Å; F926-F961 HydrophobicContact CE1-CE2 3.88Å; F926-F961 AromaticContact CE1-CZ 3.94Å; F926-F961 HydrophobicContact CE1-CZ 3.94Å; I934-F961 HydrophobicContact CB-CB 4.14Å; I934-F961 HydrophobicContact CB-CD2 4.09Å; I934-F961 HydrophobicContact CG2-CD2 4.08Å; I934-F961 PolarHBondContact N-O 3.42Å; I934-F961 WeakPolarHBondContact O-CD2 3.4Å; I934-F961 PolarHBondContact O-N 2.74Å; L936-F961 HydrophobicContact CB-CE2 3.65Å; L936-F961 HydrophobicContact CB-CZ 4.34Å; L936-F961 HydrophobicContact CD1-CE2 4.46Å; L936-F961 HydrophobicContact CD1-CZ 4.36Å; F961-W992 HydrophobicContact CB-CD2 4.07Å; F961-W992 HydrophobicContact CB-CE3 3.85Å; F961-W992 HydrophobicContact CB-CH2 4.32Å; F961-W992 HydrophobicContact CB-CZ3 3.97Å; F961-W992 HydrophobicContact CD1-CB 3.87Å; F961-W992 HydrophobicContact CD1-CD2 4.09Å; F961-W992 AromaticContact CD1-CE3 3.86Å; F961-W992 HydrophobicContact CD1-CE3 3.86Å; F961-W992 HydrophobicContact CD1-CG 4.12Å; F961-W992 HydrophobicContact CE1-CB 4Å; F961-W992 HydrophobicContact CG-CD2 4.41Å; F961-W992 HydrophobicContact CG-CE3 4.31Å; F961-G997 WeakPolarHBondContact CD1-O 3.43Å
962	T	91.5	Very high	90	Very high	90 Å²	90	50.2 Å²	50.2	55%	0.552	29%	0.291	S	S	*	.			trans	-105.7	139.6	178.9	57.9	0	0	0	0	109.5	W992	T962-W992 WeakPolarHBondContact O-CH2 3.44Å
963	G	87.2	Confident	90.6	Very high	26 Å²	26	46 Å²	46	27%	0.268	26%	0.261	S	S	.	.			trans	158	-23.6	174.6	0	0	0	0	0	115.4	R990	G963-R990 VanDerWaalsContact C-CZ 3.5Å; G963-R990 PolarHBondContact O-NH2 2.86Å
964	H	93.4	Very high	90.9	Very high	10 Å²	10	45.3 Å²	45.3	5%	0.046	26%	0.257	C	S	.	.			trans	-70.6	149.6	164.6	-77	-64.8	0	0	0	110.3	G932 S982 S984 D986 S988	G932-H964 WeakPolarHBondContact O-CB 3.49Å; H964-S982 PolarHBondContact CD2-OG 3.24Å; H964-S982 PolarHBondContact NE2-OG 3.34Å; H964-S984 WeakPolarHBondContact ND1-CB 3.35Å; H964-D986 WeakPolarHBondContact CA-OD2 3.42Å; H964-D986 IonicContact CG-OD2 3.35Å; H964-D986 IonicContact ND1-OD1 3.2Å; H964-D986 PolarHBondContact ND1-OD1 3.19Å; H964-D986 IonicContact ND1-OD2 3.41Å; H964-D986 PolarHBondContact ND1-OD2 2.9Å; H964-S988 PolarHBondContact CE1-O 3.36Å; H964-S988 PolarHBondContact CE1-OG 3.19Å; H964-S988 PolarHBondContact ND1-OG 3.41Å; H964-S988 VanDerWaalsContact ND1-OG 3.07Å
965	T	93.4	Very high	91.1	Very high	121 Å²	121	48.1 Å²	48.1	74%	0.742	27%	0.269	S	S	*	.	S	Bend	trans	-105.8	-2.7	-176.3	56.7	0	0	0	0	113.1	V931 D986	V931-T965 CarbonylContact O-C 3.59Å; T965-D986 PolarHBondContact N-OD2 3.5Å; T965-D986 WeakPolarHBondContact OG1-CB 3.39Å; T965-D986 PolarHBondContact OG1-OD2 3.46Å
966	S	94	Very high	91.2	Very high	44 Å²	44	46.7 Å²	46.7	31%	0.308	26%	0.261	S	S	.	.	S	Bend	trans	-151.1	170.6	179	-171	0	0	0	0	110.5	V931 G932 V968 S984	V931-S966 CarbonylContact O-C 3.58Å; V931-S966 VanDerWaalsContact O-C 3.28Å; V931-S966 VanDerWaalsContact O-CA 3.26Å; V931-S966 WeakPolarHBondContact O-CA 3.48Å; V931-S966 PolarHBondContact O-N 2.84Å; G932-S966 WeakPolarHBondContact CA-O 3.38Å; S966-V968 PolarHBondContact O-N 2.88Å; S966-S984 PolarHBondContact O-OG 3.03Å
967	Q	94.4	Very high	91.4	Very high	49 Å²	49	41.2 Å²	41.2	23%	0.229	23%	0.234	C	C	.	.			trans	-38.7	127.7	178.1	174.1	174.5	67.9	0	0	114.2	T914 T930 K969 S984 S985	T914-Q967 HydrophobicContact CG2-CG 3.84Å; T930-Q967 WeakPolarHBondContact O-CA 3.4Å; T930-Q967 VanDerWaalsContact O-CB 3.31Å; T930-Q967 WeakPolarHBondContact O-CB 3.1Å; T930-Q967 PolarHBondContact O-N 2.89Å; Q967-K969 VanDerWaalsContact OE1-NZ 3.15Å; Q967-S984 WeakPolarHBondContact O-CA 3.3Å; Q967-S984 PolarHBondContact O-OG 2.77Å; Q967-S984 VanDerWaalsContact O-OG 3.1Å; Q967-S985 PolarHBondContact O-N 3.28Å; Q967-S985 PolarHBondContact O-OG 3Å; Q967-S985 VanDerWaalsContact O-OG 3.07Å
968	V	96.5	Very high	91.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	122	170.2	-174.4	0	0	0	0	109.1	T914 A915 N929 I934 S966 L971 S983	T914-V968 WeakPolarHBondContact CB-O 3.36Å; T914-V968 PolarHBondContact OG1-O 3.13Å; A915-V968 HydrophobicContact CB-CG1 4.24Å; N929-V968 PolarHBondContact O-N 2.99Å; N929-V968 VanDerWaalsContact O-N 3.1Å; I934-V968 HydrophobicContact CG1-CG2 4.07Å; S966-V968 PolarHBondContact O-N 2.88Å; V968-L971 HydrophobicContact CG1-CD1 4.39Å; V968-L971 HydrophobicContact CG1-CD2 4.09Å; V968-L971 HydrophobicContact CG1-CG 3.88Å; V968-S983 CarbonylContact C-O 3.53Å; V968-S983 WeakPolarHBondContact CA-O 3.5Å; V968-S983 WeakPolarHBondContact CG1-O 3.29Å
969	K	94.4	Very high	91.8	Very high	82 Å²	82	45.5 Å²	45.5	36%	0.357	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-36.6	-178.5	-74.3	-71.2	-174.2	-169.9	0	112.9	Q967 S983 S985 C1009 T1010	Q967-K969 VanDerWaalsContact OE1-NZ 3.15Å; K969-S983 PolarHBondContact N-O 3.39Å; K969-S985 WeakPolarHBondContact CE-OG 3.43Å; K969-C1009 WeakPolarHBondContact CG-O 3.45Å; K969-T1010 WeakPolarHBondContact CB-O 3.48Å
970	S	94.6	Very high	91.9	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.028	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	152.3	176.3	87.1	0	0	0	0	111.7	S982 S983 M1011 A1012	S970-S982 WeakPolarHBondContact O-CA 3.42Å; S970-S983 WeakPolarHBondContact CB-OG 3.42Å; S970-S983 PolarHBondContact N-O 3.36Å; S970-S983 PolarHBondContact N-OG 3.13Å; S970-S983 VanDerWaalsContact N-OG 3.14Å; S970-S983 PolarHBondContact O-N 2.93Å; S970-S983 PolarHBondContact OG-OG 2.73Å; S970-M1011 WeakPolarHBondContact OG-CA 3.41Å; S970-A1012 PolarHBondContact OG-N 2.95Å; S970-A1012 PolarHBondContact OG-O 3.21Å
971	L	96.1	Very high	92.1	Very high	10 Å²	10	40 Å²	40	5%	0.052	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145.4	169.7	-74.9	168.6	0	0	0	109.9	A915 A917 F926 I934 V968 V980 A981 S982	A915-L971 HydrophobicContact CB-CB 4.27Å; A915-L971 HydrophobicContact CB-CD1 4.08Å; A915-L971 HydrophobicContact CB-CG 4.01Å; A917-L971 HydrophobicContact CB-CB 3.82Å; F926-L971 HydrophobicContact CB-CD1 4.43Å; I934-L971 HydrophobicContact CD1-CD2 3.77Å; I934-L971 HydrophobicContact CG1-CD2 4.05Å; I934-L971 HydrophobicContact CG2-CD1 3.98Å; I934-L971 HydrophobicContact CG2-CD2 4.1Å; V968-L971 HydrophobicContact CG1-CD1 4.39Å; V968-L971 HydrophobicContact CG1-CD2 4.09Å; V968-L971 HydrophobicContact CG1-CG 3.88Å; L971-V980 HydrophobicContact CD2-CG1 4.02Å; L971-A981 WeakPolarHBondContact CA-O 3.42Å; L971-S982 VanDerWaalsContact CD2-CB 3.45Å
972	H	95.6	Very high	92.3	Very high	60 Å²	60	40 Å²	40	28%	0.278	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	140	170.8	-156.3	-89.7	0	0	0	110.7	A981 F1014	H972-A981 PolarHBondContact N-O 2.97Å; H972-A981 PolarHBondContact O-N 3.22Å; H972-F1014 HydrophobicContact CB-CD2 4.39Å; H972-F1014 AromaticContact ND1-CD2 3.82Å; H972-F1014 PolarHBondContact ND1-N 3.26Å; H972-F1014 WeakPolarHBondContact O-CE2 3.38Å
973	V	94.9	Very high	92.4	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	148.5	176.6	-168.4	0	0	0	0	108.9	A917 D919 F926 V980	A917-V973 HydrophobicContact CB-CG2 3.95Å; D919-V973 HydrophobicContact CB-CG1 4.18Å; F926-V973 HydrophobicContact CD2-CG2 3.46Å; F926-V973 VanDerWaalsContact CD2-CG2 3.46Å; F926-V973 HydrophobicContact CE2-CG1 4.31Å; F926-V973 HydrophobicContact CE2-CG2 3.64Å; F926-V973 HydrophobicContact CG-CG2 4.41Å; V973-V980 HydrophobicContact CG1-CG2 4.44Å; V973-V980 HydrophobicContact CG2-CG2 4.17Å
974	N	90.9	Very high	92.9	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.032	19%	0.189	C	C	.	.			trans	-74.6	160.8	172.4	113.8	-72.5	0	0	0	110.7	E696 D976 G977 T978 L979 F1014	E696-N974 VanDerWaalsContact OE2-CB 3.24Å; E696-N974 WeakPolarHBondContact OE2-CB 3.34Å; E696-N974 PolarHBondContact OE2-ND2 3.08Å; N974-D976 PolarHBondContact ND2-N 3.3Å; N974-D976 PolarHBondContact O-N 2.98Å; N974-D976 VanDerWaalsContact O-N 3.16Å; N974-D976 PolarHBondContact OD1-N 3.4Å; N974-G977 PolarHBondContact O-N 2.95Å; N974-G977 PolarHBondContact OD1-N 3.36Å; N974-T978 PolarHBondContact OD1-N 3.07Å; N974-T978 PolarHBondContact OD1-OG1 3.44Å; N974-L979 HydrophobicContact CB-CB 4.05Å; N974-L979 PolarHBondContact N-O 3.06Å; N974-L979 PolarHBondContact OD1-N 3.36Å; N974-F1014 HydrophobicContact CB-CD1 4.36Å; N974-F1014 HydrophobicContact CB-CD2 4Å; N974-F1014 HydrophobicContact CB-CE1 4.35Å; N974-F1014 HydrophobicContact CB-CE2 3.98Å; N974-F1014 HydrophobicContact CB-CG 4.18Å; N974-F1014 HydrophobicContact CB-CZ 4.16Å
975	I	86.8	Confident	92.9	Very high	98 Å²	98	35.3 Å²	35.3	50%	0.503	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-32.6	-175.9	-159	163.3	0	0	0	113.8	E696 G977	E696-I975 WeakPolarHBondContact OE1-CB 3.21Å; E696-I975 VanDerWaalsContact OE1-CG2 3.31Å; E696-I975 WeakPolarHBondContact OE1-CG2 3.38Å; E696-I975 PolarHBondContact OE1-N 3.42Å; I975-G977 VanDerWaalsContact C-N 3.33Å
976	D	81.2	Confident	92.9	Very high	115 Å²	115	31.7 Å²	31.7	62%	0.615	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-7.1	-179.8	-62	-35.7	0	0	0	113.4	N974 T978	N974-D976 PolarHBondContact ND2-N 3.3Å; N974-D976 PolarHBondContact O-N 2.98Å; N974-D976 VanDerWaalsContact O-N 3.16Å; N974-D976 PolarHBondContact OD1-N 3.4Å; D976-T978 HydrophobicContact CB-CG2 4.05Å; D976-T978 PolarHBondContact O-N 3.39Å
977	G	86.2	Confident	92.7	Very high	11 Å²	11	29.7 Å²	29.7	11%	0.113	16%	0.159	C	C	.	.	S	Bend	trans	71.4	11.4	-176	0	0	0	0	0	115	N974 I975 T994	N974-G977 PolarHBondContact O-N 2.95Å; N974-G977 PolarHBondContact OD1-N 3.36Å; I975-G977 VanDerWaalsContact C-N 3.33Å; G977-T994 WeakPolarHBondContact O-CB 3.39Å; G977-T994 VanDerWaalsContact O-CG2 3.22Å; G977-T994 WeakPolarHBondContact O-CG2 3.17Å; G977-T994 PolarHBondContact O-OG1 3.32Å
978	T	87.4	Confident	92.6	Very high	70 Å²	70	27.9 Å²	27.9	43%	0.429	15%	0.151	S	C	.	.	S	Bend	trans	-91	-25.6	-175	62.3	0	0	0	0	113.6	N974 D976 T994	N974-T978 PolarHBondContact OD1-N 3.07Å; N974-T978 PolarHBondContact OD1-OG1 3.44Å; D976-T978 HydrophobicContact CB-CG2 4.05Å; D976-T978 PolarHBondContact O-N 3.39Å; T978-T994 WeakPolarHBondContact CA-OG1 3.24Å; T978-T994 PolarHBondContact O-N 3.35Å; T978-T994 PolarHBondContact O-OG1 3.06Å
979	L	92.1	Very high	92.5	Very high	36 Å²	36	27.9 Å²	27.9	19%	0.188	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.8	-178.3	-62.4	174.2	0	0	0	111.1	N974 W992 L1000 F1014	N974-L979 HydrophobicContact CB-CB 4.05Å; N974-L979 PolarHBondContact N-O 3.06Å; N974-L979 PolarHBondContact OD1-N 3.36Å; L979-W992 WeakPolarHBondContact CA-O 3.25Å; L979-L1000 HydrophobicContact CD2-CD1 3.39Å; L979-F1014 HydrophobicContact CB-CE2 4.5Å; L979-F1014 HydrophobicContact CB-CZ 3.95Å
980	V	94.9	Very high	92.6	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.6	169.6	174.7	0	0	0	0	108.3	F926 L971 V973 L991 W992 T994	F926-V980 HydrophobicContact CD1-CG1 4.37Å; F926-V980 HydrophobicContact CD1-CG2 3.65Å; F926-V980 HydrophobicContact CD2-CG2 4.01Å; F926-V980 HydrophobicContact CE1-CG2 3.33Å; F926-V980 HydrophobicContact CE2-CG2 3.73Å; F926-V980 HydrophobicContact CG-CG2 3.96Å; F926-V980 HydrophobicContact CZ-CG2 3.37Å; L971-V980 HydrophobicContact CD2-CG1 4.02Å; V973-V980 HydrophobicContact CG1-CG2 4.44Å; V973-V980 HydrophobicContact CG2-CG2 4.17Å; V980-L991 WeakPolarHBondContact O-CA 3.45Å; V980-W992 HydrophobicContact CB-CB 4.37Å; V980-W992 PolarHBondContact N-O 2.78Å; V980-W992 PolarHBondContact O-N 3.15Å; V980-T994 HydrophobicContact CG2-CG2 3.48Å; V980-T994 VanDerWaalsContact CG2-CG2 3.48Å
981	A	95.7	Very high	92.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.9	170.1	0	0	0	0	0	109.6	L698 L971 H972 R990 L991 A1012 F1014	L698-A981 HydrophobicContact CD1-CB 3.41Å; L698-A981 VanDerWaalsContact CD1-CB 3.41Å; L971-A981 WeakPolarHBondContact CA-O 3.42Å; H972-A981 PolarHBondContact N-O 2.97Å; H972-A981 PolarHBondContact O-N 3.22Å; A981-R990 WeakPolarHBondContact CA-O 3.29Å; A981-L991 HydrophobicContact CB-CD2 3.77Å; A981-A1012 HydrophobicContact CB-CB 4.4Å; A981-F1014 HydrophobicContact CB-CD2 4.23Å; A981-F1014 HydrophobicContact CB-CE2 3.55Å; A981-F1014 HydrophobicContact CB-CZ 3.87Å
982	S	96.6	Very high	92.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137	174.4	61.3	0	0	0	0	110.6	I934 H964 S970 L971 V989 R990 W992	I934-S982 VanDerWaalsContact CD1-CB 3.45Å; H964-S982 PolarHBondContact CD2-OG 3.24Å; H964-S982 PolarHBondContact NE2-OG 3.34Å; S970-S982 WeakPolarHBondContact O-CA 3.42Å; L971-S982 VanDerWaalsContact CD2-CB 3.45Å; S982-V989 CarbonylContact O-C 3.56Å; S982-V989 VanDerWaalsContact O-CA 3.23Å; S982-V989 WeakPolarHBondContact O-CA 3.23Å; S982-V989 WeakPolarHBondContact O-CG1 3.28Å; S982-R990 PolarHBondContact N-O 3.07Å; S982-R990 PolarHBondContact O-N 2.98Å; S982-W992 PolarHBondContact OG-NE1 3.37Å
983	S	95	Very high	92.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.4	169	68.1	0	0	0	0	109.7	V968 K969 S970	V968-S983 CarbonylContact C-O 3.53Å; V968-S983 WeakPolarHBondContact CA-O 3.5Å; V968-S983 WeakPolarHBondContact CG1-O 3.29Å; K969-S983 PolarHBondContact N-O 3.39Å; S970-S983 WeakPolarHBondContact CB-OG 3.42Å; S970-S983 PolarHBondContact N-O 3.36Å; S970-S983 PolarHBondContact N-OG 3.13Å; S970-S983 VanDerWaalsContact N-OG 3.14Å; S970-S983 PolarHBondContact O-N 2.93Å; S970-S983 PolarHBondContact OG-OG 2.73Å
984	S	95.9	Very high	92	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	159.2	-178.8	172.3	0	0	0	0	112.2	H964 S966 Q967 D986 G987 S988 C1009	H964-S984 WeakPolarHBondContact ND1-CB 3.35Å; S966-S984 PolarHBondContact O-OG 3.03Å; Q967-S984 WeakPolarHBondContact O-CA 3.3Å; Q967-S984 PolarHBondContact O-OG 2.77Å; Q967-S984 VanDerWaalsContact O-OG 3.1Å; S984-D986 VanDerWaalsContact CB-OD1 3.29Å; S984-D986 WeakPolarHBondContact CB-OD1 3.35Å; S984-D986 PolarHBondContact O-N 3.35Å; S984-D986 VanDerWaalsContact OG-CG 3.29Å; S984-D986 PolarHBondContact OG-N 3.01Å; S984-D986 VanDerWaalsContact OG-N 3.14Å; S984-D986 PolarHBondContact OG-OD1 3.47Å; S984-G987 PolarHBondContact O-N 2.92Å; S984-S988 PolarHBondContact N-O 3.43Å; S984-S988 VanDerWaalsContact N-O 3.14Å; S984-C1009 PolarHBondContact O-N 2.98Å; S984-C1009 VanDerWaalsContact O-N 3.08Å
985	S	93.9	Very high	91.7	Very high	27 Å²	27	27.6 Å²	27.6	19%	0.189	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.1	171.5	-40.6	0	0	0	0	112.8	Q967 K969 G987	Q967-S985 PolarHBondContact O-N 3.28Å; Q967-S985 PolarHBondContact O-OG 3Å; Q967-S985 VanDerWaalsContact O-OG 3.07Å; K969-S985 WeakPolarHBondContact CE-OG 3.43Å; S985-G987 PolarHBondContact O-N 3.02Å
986	D	93	Very high	91.6	Very high	45 Å²	45	26.8 Å²	26.8	24%	0.241	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-3.9	173.7	69.2	10.8	0	0	0	114	H964 T965 S984 S988	H964-D986 WeakPolarHBondContact CA-OD2 3.42Å; H964-D986 IonicContact CG-OD2 3.35Å; H964-D986 IonicContact ND1-OD1 3.2Å; H964-D986 PolarHBondContact ND1-OD1 3.19Å; H964-D986 IonicContact ND1-OD2 3.41Å; H964-D986 PolarHBondContact ND1-OD2 2.9Å; T965-D986 PolarHBondContact N-OD2 3.5Å; T965-D986 WeakPolarHBondContact OG1-CB 3.39Å; T965-D986 PolarHBondContact OG1-OD2 3.46Å; S984-D986 VanDerWaalsContact CB-OD1 3.29Å; S984-D986 WeakPolarHBondContact CB-OD1 3.35Å; S984-D986 PolarHBondContact O-N 3.35Å; S984-D986 VanDerWaalsContact OG-CG 3.29Å; S984-D986 PolarHBondContact OG-N 3.01Å; S984-D986 VanDerWaalsContact OG-N 3.14Å; S984-D986 PolarHBondContact OG-OD1 3.47Å; D986-S988 VanDerWaalsContact CG-OG 3.3Å; D986-S988 WeakPolarHBondContact OD1-CA 3.44Å; D986-S988 WeakPolarHBondContact OD1-CB 3.27Å; D986-S988 PolarHBondContact OD1-N 2.97Å; D986-S988 PolarHBondContact OD1-OG 3.27Å; D986-S988 PolarHBondContact OD2-OG 3.39Å
987	G	90.9	Very high	91.8	Very high	3 Å²	3	22 Å²	22	3%	0.031	14%	0.144	C	C	.	.	S	Bend	trans	79.1	19.9	-179.3	0	0	0	0	0	114.3	S984 S985 F1005 G1007	S984-G987 PolarHBondContact O-N 2.92Å; S985-G987 PolarHBondContact O-N 3.02Å; G987-F1005 PolarHBondContact O-N 2.65Å; G987-G1007 WeakPolarHBondContact CA-O 3.33Å
988	S	93	Very high	91.9	Very high	10 Å²	10	27.1 Å²	27.1	7%	0.07	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	148.2	171.4	73	0	0	0	0	112.7	H964 S984 D986 L1003	H964-S988 PolarHBondContact CE1-O 3.36Å; H964-S988 PolarHBondContact CE1-OG 3.19Å; H964-S988 PolarHBondContact ND1-OG 3.41Å; H964-S988 VanDerWaalsContact ND1-OG 3.07Å; S984-S988 PolarHBondContact N-O 3.43Å; S984-S988 VanDerWaalsContact N-O 3.14Å; D986-S988 VanDerWaalsContact CG-OG 3.3Å; D986-S988 WeakPolarHBondContact OD1-CA 3.44Å; D986-S988 WeakPolarHBondContact OD1-CB 3.27Å; D986-S988 PolarHBondContact OD1-N 2.97Å; D986-S988 PolarHBondContact OD1-OG 3.27Å; D986-S988 PolarHBondContact OD2-OG 3.39Å; S988-L1003 CarbonylContact C-O 3.58Å; S988-L1003 VanDerWaalsContact CA-O 3.22Å; S988-L1003 WeakPolarHBondContact CA-O 3.12Å
989	V	94.2	Very high	92.1	Very high	1 Å²	1	26 Å²	26	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.5	165	176.2	0	0	0	0	107.8	L698 V700 S982 L1003 F1005 C1009 A1012	L698-V989 HydrophobicContact CD2-CG1 3.92Å; V700-V989 HydrophobicContact CG1-CG2 3.77Å; V700-V989 HydrophobicContact CG2-CG1 4.29Å; V700-V989 HydrophobicContact CG2-CG2 4.36Å; S982-V989 CarbonylContact O-C 3.56Å; S982-V989 VanDerWaalsContact O-CA 3.23Å; S982-V989 WeakPolarHBondContact O-CA 3.23Å; S982-V989 WeakPolarHBondContact O-CG1 3.28Å; V989-L1003 HydrophobicContact CB-CB 4.33Å; V989-L1003 PolarHBondContact N-O 2.83Å; V989-L1003 PolarHBondContact O-N 3.3Å; V989-F1005 HydrophobicContact CB-CE2 4.13Å; V989-F1005 HydrophobicContact CG2-CD2 4.26Å; V989-F1005 HydrophobicContact CG2-CE2 3.81Å; V989-C1009 HydrophobicContact CG2-CB 3.95Å; V989-A1012 HydrophobicContact CG1-CB 3.57Å; V989-A1012 HydrophobicContact CG2-CB 4.22Å
990	R	95	Very high	92	Very high	51 Å²	51	28.9 Å²	28.9	19%	0.192	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	142.4	-178.3	-70.1	-178.8	174.7	-127.3	2.4	111.1	G963 A981 S982 W992 R1001 T1002	G963-R990 VanDerWaalsContact C-CZ 3.5Å; G963-R990 PolarHBondContact O-NH2 2.86Å; A981-R990 WeakPolarHBondContact CA-O 3.29Å; S982-R990 PolarHBondContact N-O 3.07Å; S982-R990 PolarHBondContact O-N 2.98Å; R990-W992 HydrophobicContact CB-CZ2 3.73Å; R990-W992 HydrophobicContact CG-CZ2 4.16Å; R990-R1001 WeakPolarHBondContact CA-O 3.46Å; R990-T1002 HydrophobicContact CG-CG2 3.96Å
991	L	94.8	Very high	91.7	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.8	171.1	-70.2	175.6	0	0	0	108.6	L698 P715 V980 A981 C999 L1000 R1001 F1014	L698-L991 HydrophobicContact CD1-CD2 4.47Å; L698-L991 HydrophobicContact CD2-CD2 4Å; L698-L991 HydrophobicContact CD2-CG 4.38Å; P715-L991 HydrophobicContact CB-CD1 4.01Å; V980-L991 WeakPolarHBondContact O-CA 3.45Å; A981-L991 HydrophobicContact CB-CD2 3.77Å; L991-C999 CarbonylContact O-C 3.55Å; L991-L1000 PolarHBondContact O-N 3.27Å; L991-R1001 HydrophobicContact CB-CB 4.25Å; L991-R1001 HydrophobicContact CD1-CB 4.3Å; L991-R1001 PolarHBondContact N-O 2.94Å; L991-R1001 PolarHBondContact O-N 3.08Å; L991-F1014 HydrophobicContact CD2-CE1 4.25Å; L991-F1014 HydrophobicContact CD2-CZ 3.71Å
992	W	94.7	Very high	91.6	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.8	-176.6	-49.8	91.2	0	0	0	110.2	I934 F961 T962 L979 V980 S982 R990 Q998 C999	I934-W992 HydrophobicContact CD1-CZ2 4.28Å; F961-W992 HydrophobicContact CB-CD2 4.07Å; F961-W992 HydrophobicContact CB-CE3 3.85Å; F961-W992 HydrophobicContact CB-CH2 4.32Å; F961-W992 HydrophobicContact CB-CZ3 3.97Å; F961-W992 HydrophobicContact CD1-CB 3.87Å; F961-W992 HydrophobicContact CD1-CD2 4.09Å; F961-W992 AromaticContact CD1-CE3 3.86Å; F961-W992 HydrophobicContact CD1-CE3 3.86Å; F961-W992 HydrophobicContact CD1-CG 4.12Å; F961-W992 HydrophobicContact CE1-CB 4Å; F961-W992 HydrophobicContact CG-CD2 4.41Å; F961-W992 HydrophobicContact CG-CE3 4.31Å; T962-W992 WeakPolarHBondContact O-CH2 3.44Å; L979-W992 WeakPolarHBondContact CA-O 3.25Å; V980-W992 HydrophobicContact CB-CB 4.37Å; V980-W992 PolarHBondContact N-O 2.78Å; V980-W992 PolarHBondContact O-N 3.15Å; S982-W992 PolarHBondContact OG-NE1 3.37Å; R990-W992 HydrophobicContact CB-CZ2 3.73Å; R990-W992 HydrophobicContact CG-CZ2 4.16Å; W992-Q998 WeakPolarHBondContact CA-O 3.38Å; W992-C999 HydrophobicContact CD2-CB 4.42Å; W992-C999 HydrophobicContact CE3-CB 3.66Å; W992-C999 HydrophobicContact CH2-CB 4.17Å; W992-C999 HydrophobicContact CZ3-CB 3.52Å
993	S	92.1	Very high	91.3	Very high	28 Å²	28	37.6 Å²	37.6	20%	0.196	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.2	167.2	-178.5	0	0	0	0	109.7	G995 N996 G997 Q998	S993-G995 VanDerWaalsContact C-N 3.27Å; S993-G995 PolarHBondContact O-N 3.17Å; S993-N996 VanDerWaalsContact CB-OD1 3.3Å; S993-N996 WeakPolarHBondContact CB-OD1 3.28Å; S993-N996 PolarHBondContact OG-OD1 3.47Å; S993-G997 PolarHBondContact O-N 3.29Å; S993-Q998 PolarHBondContact N-O 3.08Å
994	T	88.9	Confident	91.1	Very high	12 Å²	12	42.6 Å²	42.6	7%	0.074	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-27.3	-178.5	58	0	0	0	0	113.2	F926 G977 T978 V980	F926-T994 HydrophobicContact CE1-CG2 4.07Å; F926-T994 HydrophobicContact CE2-CG2 4.48Å; F926-T994 HydrophobicContact CZ-CG2 3.54Å; G977-T994 WeakPolarHBondContact O-CB 3.39Å; G977-T994 VanDerWaalsContact O-CG2 3.22Å; G977-T994 WeakPolarHBondContact O-CG2 3.17Å; G977-T994 PolarHBondContact O-OG1 3.32Å; T978-T994 WeakPolarHBondContact CA-OG1 3.24Å; T978-T994 PolarHBondContact O-N 3.35Å; T978-T994 PolarHBondContact O-OG1 3.06Å; V980-T994 HydrophobicContact CG2-CG2 3.48Å; V980-T994 VanDerWaalsContact CG2-CG2 3.48Å
995	G	84.5	Confident	90.8	Very high	62 Å²	62	44.1 Å²	44.1	64%	0.639	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-39.8	-176.4	0	0	0	0	0	114	S993	S993-G995 VanDerWaalsContact C-N 3.27Å; S993-G995 PolarHBondContact O-N 3.17Å
996	N	82.9	Confident	90.4	Very high	80 Å²	80	49.4 Å²	49.4	43%	0.428	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-1.6	-172.3	69.5	0.9	0	0	0	114.7	Q959 S993 Q998	Q959-N996 PolarHBondContact NE2-O 2.96Å; S993-N996 VanDerWaalsContact CB-OD1 3.3Å; S993-N996 WeakPolarHBondContact CB-OD1 3.28Å; S993-N996 PolarHBondContact OG-OD1 3.47Å; N996-Q998 VanDerWaalsContact C-N 3.27Å; N996-Q998 PolarHBondContact ND2-OE1 3.45Å; N996-Q998 VanDerWaalsContact ND2-OE1 3.11Å; N996-Q998 PolarHBondContact O-N 3.43Å; N996-Q998 WeakPolarHBondContact OD1-CB 3.09Å; N996-Q998 PolarHBondContact OD1-N 3.05Å
997	G	85.9	Confident	90	Very high	16 Å²	16	48.5 Å²	48.5	17%	0.165	28%	0.281	C	S	.	.			trans	84.5	-3.8	177.1	0	0	0	0	0	114.8	Q959 F961 S993	Q959-G997 VanDerWaalsContact NE2-CA 3.26Å; Q959-G997 VanDerWaalsContact NE2-N 3.11Å; F961-G997 WeakPolarHBondContact CD1-O 3.43Å; S993-G997 PolarHBondContact O-N 3.29Å
998	Q	89.8	Confident	90	Very high	118 Å²	118	51.7 Å²	51.7	55%	0.551	30%	0.295	S	S	*	.			trans	-79.7	139.2	-169.1	-66.9	179.9	-6.7	0	0	112	W992 S993 N996 L1000	W992-Q998 WeakPolarHBondContact CA-O 3.38Å; S993-Q998 PolarHBondContact N-O 3.08Å; N996-Q998 VanDerWaalsContact C-N 3.27Å; N996-Q998 PolarHBondContact ND2-OE1 3.45Å; N996-Q998 VanDerWaalsContact ND2-OE1 3.11Å; N996-Q998 PolarHBondContact O-N 3.43Å; N996-Q998 WeakPolarHBondContact OD1-CB 3.09Å; N996-Q998 PolarHBondContact OD1-N 3.05Å; Q998-L1000 PolarHBondContact O-N 3.11Å
999	C	91	Very high	89.9	Confident	45 Å²	45	51.2 Å²	51.2	30%	0.304	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	106.9	167.8	-167.6	0	0	0	0	108.9	L991 W992 R1001	L991-C999 CarbonylContact O-C 3.55Å; W992-C999 HydrophobicContact CD2-CB 4.42Å; W992-C999 HydrophobicContact CE3-CB 3.66Å; W992-C999 HydrophobicContact CH2-CB 4.17Å; W992-C999 HydrophobicContact CZ3-CB 3.52Å; C999-R1001 PolarHBondContact SG-O 3.26Å
1000	L	89	Confident	89.7	Confident	98 Å²	98	52.2 Å²	52.2	51%	0.513	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-34.7	179.2	-62.7	179.8	0	0	0	111.7	L979 L991 Q998	L979-L1000 HydrophobicContact CD2-CD1 3.39Å; L991-L1000 PolarHBondContact O-N 3.27Å; Q998-L1000 PolarHBondContact O-N 3.11Å
1001	R	89.8	Confident	89.7	Confident	89 Å²	89	50 Å²	50	34%	0.336	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	146.3	-177.3	-169.3	169.1	-74.9	-120.9	10.5	111.7	T716 N717 R990 L991 C999 L1003	T716-R1001 PolarHBondContact O-NH2 2.85Å; N717-R1001 VanDerWaalsContact C-CZ 3.41Å; N717-R1001 VanDerWaalsContact C-NH2 3.32Å; N717-R1001 VanDerWaalsContact O-CZ 3.3Å; N717-R1001 PolarHBondContact O-NH1 3.31Å; N717-R1001 PolarHBondContact O-NH2 3.29Å; R990-R1001 WeakPolarHBondContact CA-O 3.46Å; L991-R1001 HydrophobicContact CB-CB 4.25Å; L991-R1001 HydrophobicContact CD1-CB 4.3Å; L991-R1001 PolarHBondContact N-O 2.94Å; L991-R1001 PolarHBondContact O-N 3.08Å; C999-R1001 PolarHBondContact SG-O 3.26Å; R1001-L1003 HydrophobicContact CG-CD2 4.42Å
1002	T	92.7	Very high	89.6	Confident	69 Å²	69	49.7 Å²	49.7	42%	0.423	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	120.2	171.6	-52.3	0	0	0	0	108.4	R990	R990-T1002 HydrophobicContact CG-CG2 3.96Å
1003	L	91.3	Very high	89.6	Confident	25 Å²	25	52.1 Å²	52.1	13%	0.131	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.9	169.4	-58.5	175.8	0	0	0	107.2	L698 Y713 S988 V989 R1001 F1005	L698-L1003 HydrophobicContact CD2-CD1 4.35Å; Y713-L1003 HydrophobicContact CD1-CD1 4.07Å; Y713-L1003 HydrophobicContact CD2-CD1 4.41Å; Y713-L1003 HydrophobicContact CG-CD1 4.03Å; S988-L1003 CarbonylContact C-O 3.58Å; S988-L1003 VanDerWaalsContact CA-O 3.22Å; S988-L1003 WeakPolarHBondContact CA-O 3.12Å; V989-L1003 HydrophobicContact CB-CB 4.33Å; V989-L1003 PolarHBondContact N-O 2.83Å; V989-L1003 PolarHBondContact O-N 3.3Å; R1001-L1003 HydrophobicContact CG-CD2 4.42Å; L1003-F1005 HydrophobicContact CB-CE2 3.67Å; L1003-F1005 HydrophobicContact CB-CZ 4.01Å; L1003-F1005 HydrophobicContact CD1-CZ 4.48Å
1004	S	90.9	Very high	89.7	Confident	106 Å²	106	51.3 Å²	51.3	74%	0.741	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.5	179.3	44.7	0	0	0	0	110.1
1005	F	89.1	Confident	89.8	Confident	32 Å²	32	51 Å²	51	14%	0.14	29%	0.289	C	S	.	.			trans	-127.5	158.5	-177.6	-62.7	-79.7	0	0	0	110.3	V700 A702 Y713 G987 V989 L1003 G1007 C1009	V700-F1005 HydrophobicContact CG1-CE2 3.9Å; V700-F1005 HydrophobicContact CG1-CZ 3.89Å; A702-F1005 HydrophobicContact CB-CB 3.98Å; A702-F1005 HydrophobicContact CB-CD1 3.81Å; A702-F1005 HydrophobicContact CB-CD2 4.43Å; A702-F1005 HydrophobicContact CB-CE1 4.42Å; A702-F1005 HydrophobicContact CB-CG 3.8Å; Y713-F1005 HydrophobicContact CE1-CZ 4.46Å; Y713-F1005 HydrophobicContact CE2-CE1 4.31Å; Y713-F1005 AromaticContact CE2-CZ 3.97Å; Y713-F1005 HydrophobicContact CE2-CZ 3.97Å; Y713-F1005 AromaticContact CZ-CE1 3.85Å; Y713-F1005 AromaticContact CZ-CZ 3.79Å; Y713-F1005 VanDerWaalsContact OH-CE1 3.29Å; Y713-F1005 WeakPolarHBondContact OH-CE1 3.39Å; G987-F1005 PolarHBondContact O-N 2.65Å; V989-F1005 HydrophobicContact CB-CE2 4.13Å; V989-F1005 HydrophobicContact CG2-CD2 4.26Å; V989-F1005 HydrophobicContact CG2-CE2 3.81Å; L1003-F1005 HydrophobicContact CB-CE2 3.67Å; L1003-F1005 HydrophobicContact CB-CZ 4.01Å; L1003-F1005 HydrophobicContact CD1-CZ 4.48Å; F1005-G1007 PolarHBondContact O-N 3Å; F1005-C1009 WeakPolarHBondContact CD2-SG 3.49Å
1006	E	85.2	Confident	89.9	Confident	137 Å²	137	51.7 Å²	51.7	64%	0.64	28%	0.282	S	S	*	.	S	Bend	trans	-75.8	109.8	168.6	-67.6	-177	173	0	0	108.3	Q704 C705	Q704-E1006 CarbonylContact C-O 3.59Å; Q704-E1006 WeakPolarHBondContact CB-O 3.44Å; C705-E1006 PolarHBondContact N-O 3.37Å
1007	G	85.6	Confident	89.9	Confident	27 Å²	27	49.1 Å²	49.1	28%	0.278	27%	0.268	S	S	.	.	S	Bend	trans	88.3	177.1	177.6	0	0	0	0	0	115.1	G987 F1005	G987-G1007 WeakPolarHBondContact CA-O 3.33Å; F1005-G1007 PolarHBondContact O-N 3Å
1008	Q	89.6	Confident	89.7	Confident	70 Å²	70	49.1 Å²	49.1	33%	0.327	27%	0.265	S	S	.	.			trans	-62.9	138.5	-174.9	55.2	177.3	-2.9	0	0	112.9	P703	P703-Q1008 WeakPolarHBondContact CD-O 3.46Å
1009	C	90.7	Very high	88.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.262	C	S	.	.			trans	-92.3	134	171.9	-63.5	0	0	0	0	109.8	K969 S984 V989 F1005	K969-C1009 WeakPolarHBondContact CG-O 3.45Å; S984-C1009 PolarHBondContact O-N 2.98Å; S984-C1009 VanDerWaalsContact O-N 3.08Å; V989-C1009 HydrophobicContact CG2-CB 3.95Å; F1005-C1009 WeakPolarHBondContact CD2-SG 3.49Å
1010	T	91.2	Very high	87.8	Confident	21 Å²	21	46.6 Å²	46.6	13%	0.129	25%	0.249	C	C	.	.			trans	-95.3	-37.1	-175.3	55.2	0	0	0	0	112.1	C701 P703 A735 F750 K969	C701-T1010 WeakPolarHBondContact CB-OG1 3.32Å; C701-T1010 PolarHBondContact O-N 3.44Å; C701-T1010 PolarHBondContact O-OG1 3.14Å; P703-T1010 HydrophobicContact CG-CG2 3.62Å; A735-T1010 WeakPolarHBondContact O-CB 3.35Å; A735-T1010 PolarHBondContact O-OG1 2.99Å; F750-T1010 HydrophobicContact CE2-CG2 3.63Å; F750-T1010 HydrophobicContact CZ-CG2 3.49Å; F750-T1010 VanDerWaalsContact CZ-CG2 3.49Å; K969-T1010 WeakPolarHBondContact CB-O 3.48Å
1011	M	93.8	Very high	87.1	Confident	4 Å²	4	42 Å²	42	2%	0.02	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	140.9	-175.6	-179.2	-164.6	53.1	0	0	111.6	V700 C701 A737 S970 R1013	V700-M1011 WeakPolarHBondContact CA-O 3.37Å; C701-M1011 HydrophobicContact CB-CB 4.4Å; C701-M1011 HydrophobicContact CB-CE 4.16Å; C701-M1011 PolarHBondContact N-O 3.3Å; C701-M1011 WeakPolarHBondContact SG-CE 3.29Å; A737-M1011 HydrophobicContact CB-CE 3.94Å; A737-M1011 WeakPolarHBondContact O-CE 3.41Å; S970-M1011 WeakPolarHBondContact OG-CA 3.41Å; M1011-R1013 HydrophobicContact SD-CB 4.41Å
1012	A	93.7	Very high	86.1	Confident	1 Å²	1	42 Å²	42	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128	162.5	0	0	0	0	0	109.1	L698 L699 V700 S970 A981 V989	L698-A1012 HydrophobicContact CD1-CB 4.3Å; L699-A1012 WeakPolarHBondContact O-CA 3.48Å; V700-A1012 HydrophobicContact CG2-CB 4.27Å; S970-A1012 PolarHBondContact OG-N 2.95Å; S970-A1012 PolarHBondContact OG-O 3.21Å; A981-A1012 HydrophobicContact CB-CB 4.4Å; V989-A1012 HydrophobicContact CG1-CB 3.57Å; V989-A1012 HydrophobicContact CG2-CB 4.22Å
1013	R	94	Very high	84.9	Confident	55 Å²	55	41 Å²	41	21%	0.208	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	140	-176.3	177.4	173.8	-59.6	-178.8	8	111.4	L698 L699 M1011 V1015	L698-R1013 CarbonylContact C-O 3.54Å; L698-R1013 WeakPolarHBondContact CA-O 3.44Å; L699-R1013 PolarHBondContact N-O 2.91Å; L699-R1013 PolarHBondContact O-N 3.5Å; M1011-R1013 HydrophobicContact SD-CB 4.41Å; R1013-V1015 HydrophobicContact CG-CG2 4.35Å
1014	F	93.9	Very high	83.5	Confident	10 Å²	10	42.7 Å²	42.7	4%	0.044	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	132.8	169.6	-69	-77.1	0	0	0	110.5	E696 L697 L698 P715 H972 N974 L979 A981 L991	E696-F1014 HydrophobicContact CB-CD1 4.48Å; L697-F1014 CarbonylContact O-C 3.51Å; L697-F1014 WeakPolarHBondContact O-CA 3.49Å; L698-F1014 HydrophobicContact CD1-CD1 4.13Å; L698-F1014 HydrophobicContact CD1-CE1 4.07Å; L698-F1014 HydrophobicContact CD1-CE2 4.49Å; L698-F1014 HydrophobicContact CD1-CG 4.38Å; L698-F1014 HydrophobicContact CD1-CZ 4.26Å; P715-F1014 HydrophobicContact CB-CE1 4.13Å; P715-F1014 HydrophobicContact CG-CE1 4.45Å; H972-F1014 HydrophobicContact CB-CD2 4.39Å; H972-F1014 AromaticContact ND1-CD2 3.82Å; H972-F1014 PolarHBondContact ND1-N 3.26Å; H972-F1014 WeakPolarHBondContact O-CE2 3.38Å; N974-F1014 HydrophobicContact CB-CD1 4.36Å; N974-F1014 HydrophobicContact CB-CD2 4Å; N974-F1014 HydrophobicContact CB-CE1 4.35Å; N974-F1014 HydrophobicContact CB-CE2 3.98Å; N974-F1014 HydrophobicContact CB-CG 4.18Å; N974-F1014 HydrophobicContact CB-CZ 4.16Å; L979-F1014 HydrophobicContact CB-CE2 4.5Å; L979-F1014 HydrophobicContact CB-CZ 3.95Å; A981-F1014 HydrophobicContact CB-CD2 4.23Å; A981-F1014 HydrophobicContact CB-CE2 3.55Å; A981-F1014 HydrophobicContact CB-CZ 3.87Å; L991-F1014 HydrophobicContact CD2-CE1 4.25Å; L991-F1014 HydrophobicContact CD2-CZ 3.71Å
1015	V	90.5	Very high	82	Confident	7 Å²	7	43 Å²	43	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141.2	-177.8	178.3	0	0	0	0	107.4	E696 L697 L699 L739 R1013 N1017 F1021	E696-V1015 CarbonylContact C-O 3.57Å; E696-V1015 WeakPolarHBondContact CA-O 3.49Å; L697-V1015 PolarHBondContact N-O 2.69Å; L697-V1015 PolarHBondContact O-N 3.32Å; L699-V1015 HydrophobicContact CB-CG2 3.78Å; L699-V1015 HydrophobicContact CD2-CG2 4.25Å; L739-V1015 HydrophobicContact CB-CG1 3.68Å; L739-V1015 HydrophobicContact CD2-CG1 3.38Å; L739-V1015 HydrophobicContact CG-CG1 4.05Å; R1013-V1015 HydrophobicContact CG-CG2 4.35Å; V1015-N1017 PolarHBondContact O-N 2.91Å; V1015-F1021 HydrophobicContact CG1-CE2 4.33Å; V1015-F1021 HydrophobicContact CG1-CZ 4.25Å
1016	P	87.9	Confident	80.7	Confident	75 Å²	75	43.8 Å²	43.8	49%	0.487	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	141	176.1	23.5	-34.8	0	0	0	111.1	L739 V1018	L739-P1016 HydrophobicContact CD2-CG 4.19Å; P1016-V1018 HydrophobicContact CB-CG2 4.33Å; P1016-V1018 HydrophobicContact CG-CG2 4.22Å; P1016-V1018 PolarHBondContact O-N 2.95Å
1017	N	83.4	Confident	79.4	Confident	27 Å²	27	42 Å²	42	14%	0.144	23%	0.225	C	C	.	.			trans	-74.1	97.6	174.2	-158.2	33.8	0	0	0	107.7	S692 A694 L695 L697 V1015 W1022	S692-N1017 PolarHBondContact O-ND2 3.22Å; S692-N1017 PolarHBondContact OG-ND2 3.38Å; A694-N1017 WeakPolarHBondContact O-CB 3.44Å; A694-N1017 PolarHBondContact O-ND2 3.26Å; L695-N1017 WeakPolarHBondContact O-CB 3.38Å; L695-N1017 PolarHBondContact O-N 3.3Å; L697-N1017 WeakPolarHBondContact CD1-OD1 3.28Å; L697-N1017 WeakPolarHBondContact CD2-OD1 3.32Å; L697-N1017 HydrophobicContact CG-CB 4.22Å; L697-N1017 WeakPolarHBondContact CG-OD1 3.42Å; V1015-N1017 PolarHBondContact O-N 2.91Å; N1017-W1022 VanDerWaalsContact C-CH2 3.42Å; N1017-W1022 HydrophobicContact CB-CH2 3.92Å; N1017-W1022 HydrophobicContact CB-CZ3 4.03Å; N1017-W1022 VanDerWaalsContact ND2-CH2 3.26Å; N1017-W1022 WeakPolarHBondContact ND2-CH2 3.5Å; N1017-W1022 WeakPolarHBondContact ND2-CZ3 3.17Å; N1017-W1022 WeakPolarHBondContact O-CH2 3.46Å; N1017-W1022 WeakPolarHBondContact OD1-CH2 3.5Å; N1017-W1022 WeakPolarHBondContact OD1-CZ3 3.46Å
1018	V	81.5	Confident	78	Confident	16 Å²	16	42.2 Å²	42.2	10%	0.097	22%	0.222	C	C	.	.			trans	-100	141	179.3	-174.1	0	0	0	0	110.5	L739 K742 P1016 G1020 F1021 W1022	L739-V1018 HydrophobicContact CD2-CG2 4.13Å; K742-V1018 HydrophobicContact CB-CG1 3.71Å; K742-V1018 HydrophobicContact CD-CG1 4.37Å; K742-V1018 HydrophobicContact CG-CG1 3.97Å; K742-V1018 HydrophobicContact CG-CG2 4.34Å; K742-V1018 WeakPolarHBondContact O-CG1 3.19Å; P1016-V1018 HydrophobicContact CB-CG2 4.33Å; P1016-V1018 HydrophobicContact CG-CG2 4.22Å; P1016-V1018 PolarHBondContact O-N 2.95Å; V1018-G1020 PolarHBondContact O-N 2.82Å; V1018-F1021 HydrophobicContact CB-CD2 4.32Å; V1018-F1021 HydrophobicContact CB-CE2 4.49Å; V1018-F1021 WeakPolarHBondContact O-CD2 3.41Å; V1018-F1021 PolarHBondContact O-N 3.35Å; V1018-W1022 WeakPolarHBondContact O-CH2 3.49Å; V1018-W1022 WeakPolarHBondContact O-CZ3 3.47Å
1019	E	71.2	Confident	76.6	Confident	106 Å²	106	46.1 Å²	46.1	50%	0.495	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-48.7	-32.8	-177.6	-66.8	-171.7	-174.7	0	0	114.3	F1021 W1022 N1023 Y1026	E1019-F1021 PolarHBondContact O-N 3.08Å; E1019-W1022 HydrophobicContact CB-CZ2 4.46Å; E1019-W1022 HydrophobicContact CG-CZ2 4.18Å; E1019-W1022 PolarHBondContact O-N 3.41Å; E1019-W1022 VanDerWaalsContact O-N 3.1Å; E1019-N1023 HydrophobicContact CB-CB 4.19Å; E1019-N1023 WeakPolarHBondContact O-CA 3.5Å; E1019-N1023 WeakPolarHBondContact O-CB 3.07Å; E1019-N1023 PolarHBondContact O-N 3.09Å; E1019-Y1026 HydrophobicContact CB-CD2 4.2Å
1020	G	69.5	Low	75.3	Confident	3 Å²	3	49.2 Å²	49.2	3%	0.031	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-54.7	-23.1	177.1	0	0	0	0	0	115	L760 V1018	L760-G1020 WeakPolarHBondContact CB-O 3.47Å; V1018-G1020 PolarHBondContact O-N 2.82Å
1021	F	73.9	Confident	74.2	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.009	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-70.8	-33.9	177.6	-75.2	-68.3	0	0	0	113.6	L697 A712 W722 L739 L760 V1015 V1018 E1019	L697-F1021 HydrophobicContact CD1-CB 4.1Å; L697-F1021 HydrophobicContact CD1-CD1 4.18Å; L697-F1021 HydrophobicContact CD1-CD2 3.72Å; L697-F1021 HydrophobicContact CD1-CE2 4.13Å; L697-F1021 HydrophobicContact CD1-CG 3.75Å; A712-F1021 HydrophobicContact CB-CD1 4.18Å; A712-F1021 HydrophobicContact CB-CE1 3.85Å; A712-F1021 HydrophobicContact CB-CZ 4.5Å; W722-F1021 HydrophobicContact CB-CD1 3.53Å; W722-F1021 HydrophobicContact CB-CE1 4.2Å; W722-F1021 HydrophobicContact CD2-CD1 4.33Å; W722-F1021 HydrophobicContact CD2-CE1 4.37Å; W722-F1021 AromaticContact CG-CD1 3.74Å; W722-F1021 HydrophobicContact CG-CD1 3.74Å; W722-F1021 HydrophobicContact CG-CE1 4.24Å; L739-F1021 HydrophobicContact CD1-CZ 4.22Å; L760-F1021 HydrophobicContact CD1-CD1 4.49Å; L760-F1021 HydrophobicContact CD1-CD2 4.44Å; L760-F1021 HydrophobicContact CD1-CE1 4.43Å; L760-F1021 HydrophobicContact CD1-CE2 4.34Å; L760-F1021 HydrophobicContact CD1-CZ 4.34Å; L760-F1021 HydrophobicContact CD2-CD1 3.55Å; L760-F1021 HydrophobicContact CD2-CE1 3.33Å; L760-F1021 HydrophobicContact CD2-CG 4.32Å; L760-F1021 HydrophobicContact CD2-CZ 3.92Å; V1015-F1021 HydrophobicContact CG1-CE2 4.33Å; V1015-F1021 HydrophobicContact CG1-CZ 4.25Å; V1018-F1021 HydrophobicContact CB-CD2 4.32Å; V1018-F1021 HydrophobicContact CB-CE2 4.49Å; V1018-F1021 WeakPolarHBondContact O-CD2 3.41Å; V1018-F1021 PolarHBondContact O-N 3.35Å; E1019-F1021 PolarHBondContact O-N 3.08Å
1022	W	68.7	Low	73.4	Confident	90 Å²	90	53.9 Å²	53.9	34%	0.341	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-20.8	-175.5	58.3	85	0	0	0	114.7	N1017 V1018 E1019 D1024	N1017-W1022 VanDerWaalsContact C-CH2 3.42Å; N1017-W1022 HydrophobicContact CB-CH2 3.92Å; N1017-W1022 HydrophobicContact CB-CZ3 4.03Å; N1017-W1022 VanDerWaalsContact ND2-CH2 3.26Å; N1017-W1022 WeakPolarHBondContact ND2-CH2 3.5Å; N1017-W1022 WeakPolarHBondContact ND2-CZ3 3.17Å; N1017-W1022 WeakPolarHBondContact O-CH2 3.46Å; N1017-W1022 WeakPolarHBondContact OD1-CH2 3.5Å; N1017-W1022 WeakPolarHBondContact OD1-CZ3 3.46Å; V1018-W1022 WeakPolarHBondContact O-CH2 3.49Å; V1018-W1022 WeakPolarHBondContact O-CZ3 3.47Å; E1019-W1022 HydrophobicContact CB-CZ2 4.46Å; E1019-W1022 HydrophobicContact CG-CZ2 4.18Å; E1019-W1022 PolarHBondContact O-N 3.41Å; E1019-W1022 VanDerWaalsContact O-N 3.1Å; W1022-D1024 PolarHBondContact O-N 3.42Å
1023	N	68.5	Low	72.8	Confident	46 Å²	46	58.1 Å²	58.1	25%	0.246	30%	0.303	C	S	.	.			trans	-90.8	100.3	-176.5	-170.2	2.1	0	0	0	111.2	E1019 T1025 Y1026	E1019-N1023 HydrophobicContact CB-CB 4.19Å; E1019-N1023 WeakPolarHBondContact O-CA 3.5Å; E1019-N1023 WeakPolarHBondContact O-CB 3.07Å; E1019-N1023 PolarHBondContact O-N 3.09Å; N1023-T1025 PolarHBondContact O-N 3.49Å; N1023-T1025 PolarHBondContact OD1-N 3.15Å; N1023-T1025 VanDerWaalsContact OD1-N 3.16Å; N1023-T1025 PolarHBondContact OD1-OG1 3.3Å; N1023-Y1026 VanDerWaalsContact O-CB 3.27Å; N1023-Y1026 WeakPolarHBondContact O-CB 3.46Å; N1023-Y1026 PolarHBondContact O-N 3.11Å; N1023-Y1026 VanDerWaalsContact O-N 3.17Å
1024	D	61	Low	72.3	Confident	61 Å²	61	58.7 Å²	58.7	33%	0.326	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.7	178	-79.1	-1.5	0	0	0	113.9	R762 K763 W1022	R762-D1024 WeakPolarHBondContact CB-OD1 3.45Å; R762-D1024 WeakPolarHBondContact CD-OD1 3.41Å; K763-D1024 HydrophobicContact CD-CB 4.37Å; W1022-D1024 PolarHBondContact O-N 3.42Å
1025	T	59	Low	71.9	Confident	114 Å²	114	58.9 Å²	58.9	70%	0.699	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-0.4	178.7	64.3	0	0	0	0	113	N1023 V1027	N1023-T1025 PolarHBondContact O-N 3.49Å; N1023-T1025 PolarHBondContact OD1-N 3.15Å; N1023-T1025 VanDerWaalsContact OD1-N 3.16Å; N1023-T1025 PolarHBondContact OD1-OG1 3.3Å; T1025-V1027 PolarHBondContact O-N 3.23Å
1026	Y	62	Low	71.5	Confident	47 Å²	47	62.9 Å²	62.9	18%	0.184	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-64.3	117.9	178.9	-174.9	-98.8	0	0	0	110.1	E743 Q761 E1019 N1023	E743-Y1026 HydrophobicContact CB-CE1 4.46Å; E743-Y1026 HydrophobicContact CG-CE1 3.93Å; Q761-Y1026 PolarHBondContact NE2-O 3.01Å; E1019-Y1026 HydrophobicContact CB-CD2 4.2Å; N1023-Y1026 VanDerWaalsContact O-CB 3.27Å; N1023-Y1026 WeakPolarHBondContact O-CB 3.46Å; N1023-Y1026 PolarHBondContact O-N 3.11Å; N1023-Y1026 VanDerWaalsContact O-N 3.17Å
1027	V	57.9	Low	70.7	Confident	99 Å²	99	64.8 Å²	64.8	60%	0.6	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-91.5	123.6	179.5	-178.5	0	0	0	0	108.8	T1025	T1025-V1027 PolarHBondContact O-N 3.23Å
1028	S	55.5	Low	69.8	Low	32 Å²	32	71.1 Å²	71.1	22%	0.224	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-71.7	126.2	172.6	165.9	0	0	0	0	110	E743 H744 H1030	E743-S1028 VanDerWaalsContact CD-CA 3.48Å; E743-S1028 VanDerWaalsContact OE1-CA 3.31Å; E743-S1028 WeakPolarHBondContact OE1-CA 3.47Å; E743-S1028 VanDerWaalsContact OE2-CA 3.28Å; E743-S1028 WeakPolarHBondContact OE2-CA 3.48Å; E743-S1028 WeakPolarHBondContact OE2-CB 3.35Å; E743-S1028 PolarHBondContact OE2-OG 3.06Å; H744-S1028 PolarHBondContact NE2-OG 2.87Å; S1028-H1030 PolarHBondContact OG-O 3.06Å
1029	H	60.1	Low	68.7	Low	152 Å²	152	73.8 Å²	73.8	70%	0.704	38%	0.379	S	S	*	.			trans	-86.9	-22.7	174.3	-67.4	-79.1	0	0	0	111.8	E743	E743-H1029 PolarHBondContact OE1-N 3.05Å; E743-H1029 PolarHBondContact OE2-N 3.4Å
1030	H	63.3	Low	67.5	Low	66 Å²	66	71.5 Å²	71.5	31%	0.306	38%	0.384	S	S	.	.			trans	-105	115.3	-173.5	-59.1	76.8	0	0	0	112	E743 H744 S1028 S1052	E743-H1030 IonicContact OE1-ND1 3.69Å; E743-H1030 PolarHBondContact OE2-N 3.18Å; E743-H1030 IonicContact OE2-ND1 2.97Å; H744-H1030 PolarHBondContact NE2-O 2.86Å; S1028-H1030 PolarHBondContact OG-O 3.06Å; H1030-S1052 WeakPolarHBondContact NE2-CB 3.43Å; H1030-S1052 PolarHBondContact NE2-OG 3.02Å
1031	T	68.6	Low	66	Low	103 Å²	103	81.8 Å²	81.8	63%	0.632	43%	0.428	S	S	*	.			trans	-81	119.4	168.1	56	0	0	0	0	110
1032	V	77.3	Confident	64.1	Low	19 Å²	19	84.7 Å²	84.7	12%	0.115	46%	0.458	C	S	.	.			trans	-82.7	138.2	169.2	176	0	0	0	0	109.4	L740 H744 T757 V768 P801	L740-V1032 HydrophobicContact CD2-CG2 3.86Å; H744-V1032 HydrophobicContact CB-CG2 4.48Å; H744-V1032 VanDerWaalsContact CD2-CG2 3.47Å; H744-V1032 WeakPolarHBondContact CD2-CG2 3.45Å; T757-V1032 HydrophobicContact CG2-CB 4.2Å; T757-V1032 HydrophobicContact CG2-CG1 3.79Å; T757-V1032 HydrophobicContact CG2-CG2 4.05Å; V768-V1032 WeakPolarHBondContact CG2-O 3.38Å; P801-V1032 WeakPolarHBondContact O-CG1 3.33Å
1033	Q	81.2	Confident	62.3	Low	90 Å²	90	89.2 Å²	89.2	42%	0.421	48%	0.483	S	S	.	.			trans	-107.1	155.3	174.5	-70.3	-161.5	2.1	0	0	112	P801 N803	P801-Q1033 PolarHBondContact O-N 3.34Å; N803-Q1033 PolarHBondContact O-OE1 3.07Å
1034	P	83.3	Confident	60.4	Low	68 Å²	68	92.5 Å²	92.5	44%	0.442	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-62.7	138.7	175.4	26	-33.6	0	0	0	110.7	V768 S770 H1036	V768-P1034 HydrophobicContact CG1-CB 4.01Å; S770-P1034 WeakPolarHBondContact OG-CA 3.25Å; P1034-H1036 PolarHBondContact O-N 3.33Å
1035	L	85.2	Confident	58.8	Low	13 Å²	13	92.1 Å²	92.1	7%	0.068	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-70	131	-177.7	-55.3	172.5	0	0	0	110.6	S770 L772 L788 W799 G804	S770-L1035 PolarHBondContact OG-N 3.25Å; L772-L1035 HydrophobicContact CD2-CB 4.24Å; L772-L1035 HydrophobicContact CD2-CD1 4.39Å; L788-L1035 HydrophobicContact CD2-CD1 3.41Å; L788-L1035 VanDerWaalsContact CD2-CD1 3.41Å; L788-L1035 HydrophobicContact CD2-CD2 4.07Å; L788-L1035 HydrophobicContact CD2-CG 4.39Å; W799-L1035 HydrophobicContact CB-CD2 3.8Å; W799-L1035 HydrophobicContact CD2-CD1 4.34Å; W799-L1035 HydrophobicContact CG-CB 4.43Å; W799-L1035 HydrophobicContact CG-CD1 4.47Å; W799-L1035 HydrophobicContact CG-CD2 3.92Å; W799-L1035 HydrophobicContact CG-CG 4.5Å; G804-L1035 CarbonylContact O-C 3.59Å; G804-L1035 WeakPolarHBondContact O-CA 3.29Å
1036	H	82.3	Confident	57.2	Low	92 Å²	92	93 Å²	93	43%	0.426	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-76.7	145.2	177.8	-68.2	74.1	0	0	0	110.6	W799 G804 P1034	W799-H1036 PolarHBondContact NE1-O 3.42Å; W799-H1036 VanDerWaalsContact NE1-O 3.08Å; G804-H1036 VanDerWaalsContact C-ND1 3.33Å; G804-H1036 WeakPolarHBondContact O-CB 3.37Å; G804-H1036 PolarHBondContact O-N 2.9Å; G804-H1036 PolarHBondContact O-ND1 3.01Å; P1034-H1036 PolarHBondContact O-N 3.33Å
1037	K	71.8	Confident	55.7	Low	115 Å²	115	95.4 Å²	95.4	50%	0.5	55%	0.552	S	S	.	*	S	Bend	trans	-85.9	-21.7	-178.5	-64.4	-176.6	177.4	-176.6	0	113.9	F771	F771-K1037 VanDerWaalsContact C-CE 3.46Å; F771-K1037 WeakPolarHBondContact O-CE 3.5Å; F771-K1037 WeakPolarHBondContact O-CG 3.48Å
1038	Q	63.3	Low	54.2	Low	159 Å²	159	94.1 Å²	94.1	74%	0.743	55%	0.552	S	S	*	*	S	Bend	trans	-126.8	147.7	-177.1	-69.6	-178	-21.1	0	0	108.9	G1040	Q1038-G1040 PolarHBondContact O-N 3.48Å; Q1038-G1040 VanDerWaalsContact O-N 3.15Å
1039	T	59.9	Low	52.8	Low	73 Å²	73	97.2 Å²	97.2	45%	0.448	57%	0.565	S	S	.	*			trans	-62.5	116.7	168	48.9	0	0	0	0	106	L806 K1041	L806-T1039 HydrophobicContact CD2-CG2 4.02Å; L806-T1039 HydrophobicContact CG-CG2 3.96Å; T1039-K1041 PolarHBondContact O-N 3.22Å
1040	G	46.1	Very low	51.2	Low	58 Å²	58	97.9 Å²	97.9	60%	0.598	57%	0.568	S	S	*	*			trans	-61.2	128.5	179.1	0	0	0	0	0	108.3	Q1038 G1042	Q1038-G1040 PolarHBondContact O-N 3.48Å; Q1038-G1040 VanDerWaalsContact O-N 3.15Å; G1040-G1042 PolarHBondContact O-N 2.89Å
1041	K	36.8	Very low	49.5	Very low	219 Å²	219	101.8 Å²	101.8	95%	0.952	59%	0.59	S	S	*	*			trans	-69.5	37.7	156.6	-68.3	-170.3	175.1	-173.1	0	110.5	T1039	T1039-K1041 PolarHBondContact O-N 3.22Å
1042	G	34	Very low	47.8	Very low	62 Å²	62	99.8 Å²	99.8	64%	0.639	58%	0.581	S	S	*	*			trans	-69.9	132.8	173.3	0	0	0	0	0	107.2	G1040	G1040-G1042 PolarHBondContact O-N 2.89Å
1043	E	31.7	Very low	45.5	Very low	186 Å²	186	103.4 Å²	103.4	87%	0.869	61%	0.607	S	S	*	*			trans	-31.2	142	177.3	-63.4	165.4	168.2	0	0	112.3	G1045	E1043-G1045 PolarHBondContact O-N 3.28Å
1044	A	28.1	Very low	43	Very low	114 Å²	114	102.1 Å²	102.1	94%	0.942	62%	0.617	S	S	*	*	S	Bend	trans	-63	35.3	178.4	0	0	0	0	0	114.4	T1046	A1044-T1046 PolarHBondContact O-N 2.91Å; A1044-T1046 VanDerWaalsContact O-N 3.16Å
1045	G	28.6	Very low	40.6	Very low	54 Å²	54	107.2 Å²	107.2	56%	0.557	63%	0.633	S	S	*	*			trans	-69.9	100.6	164	0	0	0	0	0	108.6	E1043 V1047	E1043-G1045 PolarHBondContact O-N 3.28Å; G1045-V1047 PolarHBondContact O-N 3.16Å
1046	T	24.7	Very low	38	Very low	131 Å²	131	116 Å²	116	80%	0.804	67%	0.674	S	S	*	*			trans	10.6	104.3	146.8	48.7	0	0	0	0	114	A1044 A1048	A1044-T1046 PolarHBondContact O-N 2.91Å; A1044-T1046 VanDerWaalsContact O-N 3.16Å; T1046-A1048 PolarHBondContact O-N 3Å
1047	V	29.6	Very low	35.9	Very low	99 Å²	99	115.2 Å²	115.2	60%	0.6	68%	0.675	S	S	*	*			trans	-63.7	90.6	166.9	179.8	0	0	0	0	106.8	M807 G1045 L1049	M807-V1047 HydrophobicContact CE-CG1 4.09Å; M807-V1047 HydrophobicContact CE-CG2 4.18Å; M807-V1047 HydrophobicContact SD-CG1 4.41Å; G1045-V1047 PolarHBondContact O-N 3.16Å; V1047-L1049 PolarHBondContact O-N 3.37Å
1048	A	26	Very low	34.3	Very low	72 Å²	72	114.8 Å²	114.8	60%	0.595	68%	0.679	S	S	*	*			trans	-68.9	102.4	170	0	0	0	0	0	106.2	T1046 H1050	T1046-A1048 PolarHBondContact O-N 3Å; A1048-H1050 VanDerWaalsContact C-N 3.27Å; A1048-H1050 PolarHBondContact O-N 2.86Å
1049	L	27.6	Very low	33.3	Very low	97 Å²	97	112.4 Å²	112.4	51%	0.508	67%	0.67	S	S	.	*			trans	-55.5	103.3	156.8	-81.2	160.5	0	0	0	105.5	V1047 L1051	V1047-L1049 PolarHBondContact O-N 3.37Å; L1049-L1051 PolarHBondContact O-N 3.41Å
1050	H	26.5	Very low	32.8	Very low	165 Å²	165	113.6 Å²	113.6	76%	0.764	67%	0.674	S	S	*	*			trans	-66.1	85.3	157.7	-117	47.7	0	0	0	105.1	A1048 S1052	A1048-H1050 VanDerWaalsContact C-N 3.27Å; A1048-H1050 PolarHBondContact O-N 2.86Å; H1050-S1052 PolarHBondContact O-N 3.2Å
1051	L	27.6	Very low	32.8	Very low	148 Å²	148	114.6 Å²	114.6	78%	0.775	67%	0.665	S	S	*	*			trans	-58.1	87.6	149.7	-81.9	156.2	0	0	0	103.7	L1049 S1053	L1049-L1051 PolarHBondContact O-N 3.41Å; L1051-S1053 PolarHBondContact O-N 2.95Å
1052	S	32	Very low	33.3	Very low	61 Å²	61	108.6 Å²	108.6	43%	0.427	64%	0.64	S	S	.	*			trans	-66	84.9	169.4	57	0	0	0	0	106	H1030 H1050 G1054	H1030-S1052 WeakPolarHBondContact NE2-CB 3.43Å; H1030-S1052 PolarHBondContact NE2-OG 3.02Å; H1050-S1052 PolarHBondContact O-N 3.2Å; S1052-G1054 PolarHBondContact O-N 3.11Å
1053	S	29.2	Very low	34.1	Very low	96 Å²	96	109 Å²	109	67%	0.671	63%	0.627	S	S	*	*			trans	-57.8	89.3	148.5	51.4	0	0	0	0	105.1	L1051 F1055	L1051-S1053 PolarHBondContact O-N 2.95Å; S1053-F1055 PolarHBondContact O-N 3.33Å
1054	G	29	Very low	35.3	Very low	62 Å²	62	106.1 Å²	106.1	64%	0.639	61%	0.608	S	S	*	*	S	Bend	trans	-67.8	45.8	175.2	0	0	0	0	0	112.5	S1052	S1052-G1054 PolarHBondContact O-N 3.11Å
1055	F	33.7	Very low	36.7	Very low	175 Å²	175	105.8 Å²	105.8	77%	0.768	59%	0.586	S	S	*	*			trans	-133.9	44.5	173.3	-68.9	-77.4	0	0	0	109.5	S1053 V1057	S1053-F1055 PolarHBondContact O-N 3.33Å; F1055-V1057 PolarHBondContact O-N 2.97Å
1056	E	30.5	Very low	37.8	Very low	197 Å²	197	106.8 Å²	106.8	92%	0.921	58%	0.581	S	S	*	*			trans	-74.2	71.4	147	-87.6	-173.6	156.8	0	0	106.9	D1058	E1056-D1058 PolarHBondContact O-N 3.08Å
1057	V	37	Very low	39.1	Very low	77 Å²	77	106.3 Å²	106.3	47%	0.467	57%	0.569	S	S	.	*			trans	-57.1	127.4	152.8	177.8	0	0	0	0	104	F1055 I1059 E1062	F1055-V1057 PolarHBondContact O-N 2.97Å; V1057-I1059 WeakPolarHBondContact O-CG1 3.41Å; V1057-I1059 PolarHBondContact O-N 3.26Å; V1057-E1062 HydrophobicContact CG1-CG 4.13Å
1058	D	39.5	Very low	40.1	Very low	106 Å²	106	110.1 Å²	110.1	57%	0.567	57%	0.573	S	S	*	*			trans	-64.1	84.9	169.3	-168.5	-2	0	0	0	107	E1056 D1060 D1061 E1062	E1056-D1058 PolarHBondContact O-N 3.08Å; D1058-D1060 PolarHBondContact O-N 3.25Å; D1058-D1060 VanDerWaalsContact O-N 3.12Å; D1058-D1061 HydrophobicContact CB-CB 4.43Å; D1058-D1061 PolarHBondContact O-N 3.5Å; D1058-E1062 PolarHBondContact O-N 3Å
1059	I	42.1	Very low	41.3	Very low	109 Å²	109	114 Å²	114	56%	0.559	58%	0.577	S	S	*	*	H	α-helix	trans	-60.4	-28.4	-169.1	-46.3	-174	0	0	0	108.4	V1057 D1061 I1063	V1057-I1059 WeakPolarHBondContact O-CG1 3.41Å; V1057-I1059 PolarHBondContact O-N 3.26Å; I1059-D1061 VanDerWaalsContact C-N 3.28Å; I1059-D1061 PolarHBondContact O-N 3.2Å; I1059-I1063 HydrophobicContact CB-CD1 4.36Å; I1059-I1063 HydrophobicContact CG2-CD1 3.5Å; I1059-I1063 HydrophobicContact CG2-CG1 3.93Å; I1059-I1063 WeakPolarHBondContact O-CB 3.29Å; I1059-I1063 WeakPolarHBondContact O-CD1 3.28Å; I1059-I1063 WeakPolarHBondContact O-CG1 3.38Å; I1059-I1063 PolarHBondContact O-N 2.95Å
1060	D	48.1	Very low	42.4	Very low	98 Å²	98	114.4 Å²	114.4	52%	0.524	58%	0.579	S	S	.	*	H	α-helix	trans	-67.3	-25.4	177.6	-74.6	-14.1	0	0	0	113.2	D1058 R1064	D1058-D1060 PolarHBondContact O-N 3.25Å; D1058-D1060 VanDerWaalsContact O-N 3.12Å; D1060-R1064 VanDerWaalsContact O-CB 3.28Å; D1060-R1064 WeakPolarHBondContact O-CB 3.43Å; D1060-R1064 VanDerWaalsContact O-CG 3.24Å; D1060-R1064 WeakPolarHBondContact O-CG 3.46Å; D1060-R1064 PolarHBondContact O-N 3.15Å; D1060-R1064 PolarHBondContact O-NE 3.31Å
1061	D	47.5	Very low	43.6	Very low	79 Å²	79	109.9 Å²	109.9	42%	0.422	57%	0.566	S	S	.	*	H	α-helix	trans	-84.2	-38.4	178.9	-139	38.6	0	0	0	111.7	D1058 I1059 K1065	D1058-D1061 HydrophobicContact CB-CB 4.43Å; D1058-D1061 PolarHBondContact O-N 3.5Å; I1059-D1061 VanDerWaalsContact C-N 3.28Å; I1059-D1061 PolarHBondContact O-N 3.2Å; D1061-K1065 WeakPolarHBondContact O-CG 3.49Å; D1061-K1065 PolarHBondContact O-N 3.09Å; D1061-K1065 VanDerWaalsContact O-N 3.07Å
1062	E	45.7	Very low	44.7	Very low	92 Å²	92	108.8 Å²	108.8	43%	0.43	56%	0.561	S	S	.	*	H	α-helix	trans	-70.6	-39.5	170.1	-75.2	-63.8	127.5	0	0	111.8	V1057 D1058 R1064 K1065 V1066	V1057-E1062 HydrophobicContact CG1-CG 4.13Å; D1058-E1062 PolarHBondContact O-N 3Å; E1062-R1064 VanDerWaalsContact C-N 3.34Å; E1062-R1064 PolarHBondContact O-N 3.36Å; E1062-K1065 PolarHBondContact O-N 3.01Å; E1062-K1065 IonicContact OE1-NZ 3.19Å; E1062-K1065 PolarHBondContact OE1-NZ 3.39Å; E1062-V1066 WeakPolarHBondContact O-CB 3.28Å; E1062-V1066 VanDerWaalsContact O-CG2 3.27Å; E1062-V1066 WeakPolarHBondContact O-CG2 3.47Å; E1062-V1066 PolarHBondContact O-N 3.4Å
1063	I	50.7	Low	45.5	Very low	70 Å²	70	111 Å²	111	36%	0.359	57%	0.565	S	S	.	*	H	α-helix	trans	-60.3	-44.8	172.5	-73.1	167.3	0	0	0	109.8	I1059 K1065 V1066 E1067	I1059-I1063 HydrophobicContact CB-CD1 4.36Å; I1059-I1063 HydrophobicContact CG2-CD1 3.5Å; I1059-I1063 HydrophobicContact CG2-CG1 3.93Å; I1059-I1063 WeakPolarHBondContact O-CB 3.29Å; I1059-I1063 WeakPolarHBondContact O-CD1 3.28Å; I1059-I1063 WeakPolarHBondContact O-CG1 3.38Å; I1059-I1063 PolarHBondContact O-N 2.95Å; I1063-K1065 VanDerWaalsContact C-N 3.32Å; I1063-K1065 PolarHBondContact O-N 2.99Å; I1063-V1066 CarbonylContact O-C 3.59Å; I1063-V1066 PolarHBondContact O-N 3.43Å; I1063-E1067 HydrophobicContact CG2-CG 3.96Å; I1063-E1067 VanDerWaalsContact O-CB 3.32Å; I1063-E1067 WeakPolarHBondContact O-CB 3.4Å; I1063-E1067 WeakPolarHBondContact O-CG 3.33Å; I1063-E1067 PolarHBondContact O-N 3.16Å
1064	R	57.1	Low	46.3	Very low	126 Å²	126	115.3 Å²	115.3	48%	0.475	57%	0.571	S	S	.	*	H	α-helix	trans	-64.5	-34.4	177.5	-83.5	-177	-81.9	-149.9	-1.2	113.1	D1060 E1062 R1068	D1060-R1064 VanDerWaalsContact O-CB 3.28Å; D1060-R1064 WeakPolarHBondContact O-CB 3.43Å; D1060-R1064 VanDerWaalsContact O-CG 3.24Å; D1060-R1064 WeakPolarHBondContact O-CG 3.46Å; D1060-R1064 PolarHBondContact O-N 3.15Å; D1060-R1064 PolarHBondContact O-NE 3.31Å; E1062-R1064 VanDerWaalsContact C-N 3.34Å; E1062-R1064 PolarHBondContact O-N 3.36Å; R1064-R1068 WeakPolarHBondContact O-CB 3.36Å; R1064-R1068 WeakPolarHBondContact O-CG 3.41Å; R1064-R1068 PolarHBondContact O-N 3.21Å; R1064-R1068 VanDerWaalsContact O-N 3.13Å
1065	K	58.3	Low	47.2	Very low	108 Å²	108	116.9 Å²	116.9	47%	0.47	57%	0.572	S	S	.	*	H	α-helix	trans	-66.5	-44.8	172.1	-73.1	175.1	-160.5	162.6	0	111.3	D1061 E1062 I1063 R1068 F1069	D1061-K1065 WeakPolarHBondContact O-CG 3.49Å; D1061-K1065 PolarHBondContact O-N 3.09Å; D1061-K1065 VanDerWaalsContact O-N 3.07Å; E1062-K1065 PolarHBondContact O-N 3.01Å; E1062-K1065 IonicContact OE1-NZ 3.19Å; E1062-K1065 PolarHBondContact OE1-NZ 3.39Å; I1063-K1065 VanDerWaalsContact C-N 3.32Å; I1063-K1065 PolarHBondContact O-N 2.99Å; K1065-R1068 PolarHBondContact O-N 3.15Å; K1065-F1069 WeakPolarHBondContact O-CB 3.49Å; K1065-F1069 PolarHBondContact O-N 2.83Å
1066	V	50.9	Low	47.8	Very low	75 Å²	75	113.2 Å²	113.2	46%	0.455	56%	0.561	S	S	.	*	H	α-helix	trans	-67.7	-41	179.3	172.2	0	0	0	0	111.5	E1062 I1063 F1069 L1070	E1062-V1066 WeakPolarHBondContact O-CB 3.28Å; E1062-V1066 VanDerWaalsContact O-CG2 3.27Å; E1062-V1066 WeakPolarHBondContact O-CG2 3.47Å; E1062-V1066 PolarHBondContact O-N 3.4Å; I1063-V1066 CarbonylContact O-C 3.59Å; I1063-V1066 PolarHBondContact O-N 3.43Å; V1066-F1069 WeakPolarHBondContact O-CB 3.3Å; V1066-F1069 PolarHBondContact O-N 3.05Å; V1066-L1070 HydrophobicContact CG1-CD1 3.64Å; V1066-L1070 HydrophobicContact CG1-CG 4.23Å; V1066-L1070 WeakPolarHBondContact O-CB 3.32Å; V1066-L1070 VanDerWaalsContact O-CG 3.3Å; V1066-L1070 WeakPolarHBondContact O-CG 3.37Å; V1066-L1070 PolarHBondContact O-N 3.32Å
1067	E	53.6	Low	49.1	Very low	120 Å²	120	107.5 Å²	107.5	56%	0.561	55%	0.547	S	S	*	.	H	α-helix	trans	-64.3	-40.9	176.6	-78.3	-177	165	0	0	111.8	I1063 F1069 L1070 S1071	I1063-E1067 HydrophobicContact CG2-CG 3.96Å; I1063-E1067 VanDerWaalsContact O-CB 3.32Å; I1063-E1067 WeakPolarHBondContact O-CB 3.4Å; I1063-E1067 WeakPolarHBondContact O-CG 3.33Å; I1063-E1067 PolarHBondContact O-N 3.16Å; E1067-F1069 VanDerWaalsContact C-N 3.35Å; E1067-L1070 PolarHBondContact O-N 3.19Å; E1067-S1071 WeakPolarHBondContact O-CB 3.37Å; E1067-S1071 PolarHBondContact O-N 3.42Å; E1067-S1071 PolarHBondContact O-OG 3.24Å
1068	R	50.7	Low	50.1	Low	179 Å²	179	107.2 Å²	107.2	68%	0.675	55%	0.548	S	S	*	.	H	α-helix	trans	-63.5	-40.8	171.3	-76.7	177.4	-178.7	158.1	2.1	111.9	R1064 K1065 L1070 S1071 D1072	R1064-R1068 WeakPolarHBondContact O-CB 3.36Å; R1064-R1068 WeakPolarHBondContact O-CG 3.41Å; R1064-R1068 PolarHBondContact O-N 3.21Å; R1064-R1068 VanDerWaalsContact O-N 3.13Å; K1065-R1068 PolarHBondContact O-N 3.15Å; R1068-L1070 VanDerWaalsContact C-N 3.33Å; R1068-L1070 PolarHBondContact O-N 2.74Å; R1068-S1071 PolarHBondContact O-OG 3.36Å; R1068-D1072 PolarHBondContact O-N 3.48Å
1069	F	51	Low	51	Low	155 Å²	155	109 Å²	109	68%	0.68	55%	0.548	S	S	*	.	H	α-helix	trans	-66.4	-35.9	177.9	-135.8	-87.1	0	0	0	112.5	K1065 V1066 E1067	K1065-F1069 WeakPolarHBondContact O-CB 3.49Å; K1065-F1069 PolarHBondContact O-N 2.83Å; V1066-F1069 WeakPolarHBondContact O-CB 3.3Å; V1066-F1069 PolarHBondContact O-N 3.05Å; E1067-F1069 VanDerWaalsContact C-N 3.35Å
1070	L	49.1	Very low	52.2	Low	104 Å²	104	111 Å²	111	55%	0.545	56%	0.555	S	S	.	*	H	α-helix	trans	-80.3	-30.6	179.7	-74.8	169.5	0	0	0	113	V1066 E1067 R1068 D1072 Q1073	V1066-L1070 HydrophobicContact CG1-CD1 3.64Å; V1066-L1070 HydrophobicContact CG1-CG 4.23Å; V1066-L1070 WeakPolarHBondContact O-CB 3.32Å; V1066-L1070 VanDerWaalsContact O-CG 3.3Å; V1066-L1070 WeakPolarHBondContact O-CG 3.37Å; V1066-L1070 PolarHBondContact O-N 3.32Å; E1067-L1070 PolarHBondContact O-N 3.19Å; R1068-L1070 VanDerWaalsContact C-N 3.33Å; R1068-L1070 PolarHBondContact O-N 2.74Å; L1070-D1072 VanDerWaalsContact C-N 3.29Å; L1070-D1072 PolarHBondContact O-N 3.41Å; L1070-Q1073 PolarHBondContact O-N 3.1Å
1071	S	51.6	Low	53.5	Low	71 Å²	71	109.4 Å²	109.4	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-66	-34.7	175.9	57.4	0	0	0	0	112.1	E1067 R1068 Q1073	E1067-S1071 WeakPolarHBondContact O-CB 3.37Å; E1067-S1071 PolarHBondContact O-N 3.42Å; E1067-S1071 PolarHBondContact O-OG 3.24Å; R1068-S1071 PolarHBondContact O-OG 3.36Å; S1071-Q1073 VanDerWaalsContact C-N 3.28Å; S1071-Q1073 PolarHBondContact O-N 3.05Å
1072	D	52.5	Low	54.5	Low	125 Å²	125	111.7 Å²	111.7	67%	0.668	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-20.2	-178.3	-72.5	-6.3	0	0	0	113.1	R1068 L1070	R1068-D1072 PolarHBondContact O-N 3.48Å; L1070-D1072 VanDerWaalsContact C-N 3.29Å; L1070-D1072 PolarHBondContact O-N 3.41Å
1073	Q	46.7	Very low	55.8	Low	108 Å²	108	111.8 Å²	111.8	51%	0.505	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.1	-13.2	179.2	-67	-155.1	-3.2	0	0	114.9	L1070 S1071 S1075	L1070-Q1073 PolarHBondContact O-N 3.1Å; S1071-Q1073 VanDerWaalsContact C-N 3.28Å; S1071-Q1073 PolarHBondContact O-N 3.05Å; Q1073-S1075 PolarHBondContact O-N 2.91Å
1074	K	46.1	Very low	57.1	Low	185 Å²	185	110.8 Å²	110.8	80%	0.804	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-10.1	-178.4	-84.6	-175	177.3	177.5	0	114.3
1075	S	47.9	Very low	58.4	Low	95 Å²	95	111.2 Å²	111.2	66%	0.664	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-5.6	-179.8	51.9	0	0	0	0	115	Q1073 A1077	Q1073-S1075 PolarHBondContact O-N 2.91Å; S1075-A1077 PolarHBondContact O-N 3.5Å
1076	D	47.9	Very low	59.1	Low	99 Å²	99	111.6 Å²	111.6	53%	0.529	58%	0.579	S	S	.	*			trans	-84.6	105.4	-177.2	-76.8	-8.9	0	0	0	111	S1078 Y1079	D1076-S1078 PolarHBondContact O-N 3.45Å; D1076-Y1079 WeakPolarHBondContact O-CB 3.21Å; D1076-Y1079 PolarHBondContact O-N 3.43Å
1077	A	56.4	Low	60.9	Low	76 Å²	76	114 Å²	114	63%	0.628	59%	0.585	S	S	*	*	H	α-helix	trans	-51.7	-18.7	172.2	0	0	0	0	0	113.8	S1075 Y1079 A1081	S1075-A1077 PolarHBondContact O-N 3.5Å; A1077-Y1079 VanDerWaalsContact C-N 3.29Å; A1077-Y1079 PolarHBondContact O-N 3.44Å; A1077-A1081 PolarHBondContact O-N 2.97Å
1078	S	58.5	Low	62.4	Low	71 Å²	71	115.3 Å²	115.3	50%	0.497	59%	0.591	S	S	.	*	H	α-helix	trans	-60.9	-35.4	170.4	-178.8	0	0	0	0	113.1	D1076 K1082	D1076-S1078 PolarHBondContact O-N 3.45Å; S1078-K1082 PolarHBondContact O-N 3.43Å; S1078-K1082 VanDerWaalsContact O-N 3.13Å
1079	Y	57.9	Low	63.9	Low	145 Å²	145	110.9 Å²	110.9	57%	0.569	58%	0.578	S	S	*	*	H	α-helix	trans	-73.1	-42.5	-177.5	-139.9	-81.8	0	0	0	111.3	D1076 A1077 A1081 K1082 L1083	D1076-Y1079 WeakPolarHBondContact O-CB 3.21Å; D1076-Y1079 PolarHBondContact O-N 3.43Å; A1077-Y1079 VanDerWaalsContact C-N 3.29Å; A1077-Y1079 PolarHBondContact O-N 3.44Å; Y1079-A1081 VanDerWaalsContact C-N 3.33Å; Y1079-A1081 PolarHBondContact O-N 2.97Å; Y1079-K1082 PolarHBondContact O-N 3.32Å; Y1079-L1083 WeakPolarHBondContact O-CB 3.31Å; Y1079-L1083 PolarHBondContact O-N 3.3Å
1080	E	68	Low	65.5	Low	151 Å²	151	107.3 Å²	107.3	71%	0.706	57%	0.566	S	S	*	*	H	α-helix	trans	-62.9	-39.7	175.6	-68.3	-171	159.7	0	0	111.7	L1083 A1084	E1080-L1083 PolarHBondContact O-N 3.45Å; E1080-A1084 WeakPolarHBondContact O-CB 3.17Å; E1080-A1084 PolarHBondContact O-N 3.08Å
1081	A	74.4	Confident	67.4	Low	63 Å²	63	105.1 Å²	105.1	52%	0.521	56%	0.563	S	S	.	*	H	α-helix	trans	-63.7	-42.5	175.2	0	0	0	0	0	112.5	A1077 Y1079 A1084 Q1085	A1077-A1081 PolarHBondContact O-N 2.97Å; Y1079-A1081 VanDerWaalsContact C-N 3.33Å; Y1079-A1081 PolarHBondContact O-N 2.97Å; A1081-A1084 PolarHBondContact O-N 3.27Å; A1081-Q1085 PolarHBondContact O-N 3.42Å
1082	K	70.1	Confident	69.3	Low	127 Å²	127	109 Å²	109	55%	0.552	57%	0.567	S	S	*	*	H	α-helix	trans	-65.9	-37.5	174.8	-80.4	177.8	177.8	172.6	0	112.3	S1078 Y1079 Q1085 M1086	S1078-K1082 PolarHBondContact O-N 3.43Å; S1078-K1082 VanDerWaalsContact O-N 3.13Å; Y1079-K1082 PolarHBondContact O-N 3.32Å; K1082-Q1085 PolarHBondContact O-N 3.12Å; K1082-M1086 WeakPolarHBondContact O-CB 3.29Å; K1082-M1086 VanDerWaalsContact O-CG 3.29Å; K1082-M1086 WeakPolarHBondContact O-CG 3.4Å; K1082-M1086 PolarHBondContact O-N 2.96Å
1083	L	71.9	Confident	70.7	Confident	94 Å²	94	107.9 Å²	107.9	49%	0.492	56%	0.557	S	S	.	*	H	α-helix	trans	-63.7	-46.2	177	-150.4	101.6	0	0	0	110.6	Y1079 E1080 Q1085 M1086 E1087	Y1079-L1083 WeakPolarHBondContact O-CB 3.31Å; Y1079-L1083 PolarHBondContact O-N 3.3Å; E1080-L1083 PolarHBondContact O-N 3.45Å; L1083-Q1085 VanDerWaalsContact C-N 3.34Å; L1083-Q1085 PolarHBondContact O-N 3.15Å; L1083-M1086 WeakPolarHBondContact O-CB 3.43Å; L1083-M1086 PolarHBondContact O-N 2.88Å; L1083-E1087 WeakPolarHBondContact O-CG 3.39Å; L1083-E1087 PolarHBondContact O-N 3.4Å
1084	A	78.4	Confident	72.8	Confident	49 Å²	49	108.8 Å²	108.8	41%	0.405	56%	0.559	S	S	.	*	H	α-helix	trans	-62.2	-39.3	176.7	0	0	0	0	0	112.5	E1080 A1081 E1087 Q1088	E1080-A1084 WeakPolarHBondContact O-CB 3.17Å; E1080-A1084 PolarHBondContact O-N 3.08Å; A1081-A1084 PolarHBondContact O-N 3.27Å; A1084-E1087 PolarHBondContact O-N 3.37Å; A1084-Q1088 PolarHBondContact O-N 2.97Å; A1084-Q1088 VanDerWaalsContact O-N 3.08Å
1085	Q	85	Confident	74.9	Confident	135 Å²	135	104.8 Å²	104.8	63%	0.631	54%	0.544	S	S	*	.	H	α-helix	trans	-64.8	-41	175.2	-167.8	-179.5	8.9	0	0	111.8	A1081 K1082 L1083 Q1088 E1089	A1081-Q1085 PolarHBondContact O-N 3.42Å; K1082-Q1085 PolarHBondContact O-N 3.12Å; L1083-Q1085 VanDerWaalsContact C-N 3.34Å; L1083-Q1085 PolarHBondContact O-N 3.15Å; Q1085-Q1088 PolarHBondContact O-N 3.21Å; Q1085-E1089 PolarHBondContact O-N 3.38Å; Q1085-E1089 VanDerWaalsContact O-N 3.09Å
1086	M	73.3	Confident	76.9	Confident	116 Å²	116	104 Å²	104	57%	0.571	53%	0.531	S	S	*	.	H	α-helix	trans	-66.1	-37.7	176	-76.5	-84.6	-72.6	0	0	112.4	K1082 L1083 E1089 L1090	K1082-M1086 WeakPolarHBondContact O-CB 3.29Å; K1082-M1086 VanDerWaalsContact O-CG 3.29Å; K1082-M1086 WeakPolarHBondContact O-CG 3.4Å; K1082-M1086 PolarHBondContact O-N 2.96Å; L1083-M1086 WeakPolarHBondContact O-CB 3.43Å; L1083-M1086 PolarHBondContact O-N 2.88Å; M1086-E1089 PolarHBondContact O-N 3.18Å; M1086-L1090 WeakPolarHBondContact O-CB 3.35Å; M1086-L1090 PolarHBondContact O-N 3.23Å
1087	E	87.6	Confident	78.7	Confident	127 Å²	127	103.6 Å²	103.6	59%	0.593	53%	0.529	S	S	*	.	H	α-helix	trans	-65.7	-39.7	175.5	-74.7	-177.3	165.7	0	0	112.2	L1083 A1084 L1090 A1091	L1083-E1087 WeakPolarHBondContact O-CG 3.39Å; L1083-E1087 PolarHBondContact O-N 3.4Å; A1084-E1087 PolarHBondContact O-N 3.37Å; E1087-L1090 PolarHBondContact O-N 2.86Å; E1087-A1091 WeakPolarHBondContact O-CB 3.37Å; E1087-A1091 PolarHBondContact O-N 3.49Å
1088	Q	85.2	Confident	80.4	Confident	146 Å²	146	103.9 Å²	103.9	68%	0.682	52%	0.519	S	S	*	.	H	α-helix	trans	-62.3	-42.9	172.5	-78.1	-175.2	-10.3	0	0	112	A1084 Q1085 A1091 R1092	A1084-Q1088 PolarHBondContact O-N 2.97Å; A1084-Q1088 VanDerWaalsContact O-N 3.08Å; Q1085-Q1088 PolarHBondContact O-N 3.21Å; Q1088-A1091 PolarHBondContact O-N 3.46Å; Q1088-R1092 PolarHBondContact O-N 2.91Å
1089	E	81.9	Confident	82	Confident	87 Å²	87	103.9 Å²	103.9	41%	0.407	51%	0.514	S	S	.	.	H	α-helix	trans	-69.7	-36.4	-179.3	-153.4	61.5	-160.1	0	0	111.9	Q1085 M1086 R1092 Q1093	Q1085-E1089 PolarHBondContact O-N 3.38Å; Q1085-E1089 VanDerWaalsContact O-N 3.09Å; M1086-E1089 PolarHBondContact O-N 3.18Å; E1089-R1092 PolarHBondContact O-N 3.01Å; E1089-R1092 IonicContact OE1-NH1 2.95Å; E1089-Q1093 WeakPolarHBondContact O-CG 3.5Å; E1089-Q1093 PolarHBondContact O-N 3.19Å
1090	L	85.6	Confident	83.3	Confident	80 Å²	80	101.7 Å²	101.7	42%	0.419	51%	0.511	S	S	.	.	H	α-helix	trans	-62.5	-43.4	172.5	-170.3	84.3	0	0	0	111.4	M1086 E1087 R1092 Q1093 K1094	M1086-L1090 WeakPolarHBondContact O-CB 3.35Å; M1086-L1090 PolarHBondContact O-N 3.23Å; E1087-L1090 PolarHBondContact O-N 2.86Å; L1090-R1092 VanDerWaalsContact C-N 3.34Å; L1090-Q1093 PolarHBondContact O-N 3.34Å; L1090-K1094 WeakPolarHBondContact O-CG 3.48Å; L1090-K1094 PolarHBondContact O-N 3.24Å
1091	A	87.9	Confident	84	Confident	58 Å²	58	102.7 Å²	102.7	48%	0.479	51%	0.51	S	S	.	.	H	α-helix	trans	-62.5	-42.2	176.8	0	0	0	0	0	111.5	E1087 Q1088 K1094 Q1095	E1087-A1091 WeakPolarHBondContact O-CB 3.37Å; E1087-A1091 PolarHBondContact O-N 3.49Å; Q1088-A1091 PolarHBondContact O-N 3.46Å; A1091-K1094 PolarHBondContact O-N 3.33Å; A1091-Q1095 PolarHBondContact O-N 3.36Å
1092	R	91.7	Very high	84.5	Confident	153 Å²	153	105.4 Å²	105.4	58%	0.577	51%	0.511	S	S	*	.	H	α-helix	trans	-61.1	-46	174.6	-178.2	-175.1	168.3	171	-0.8	112.3	Q1088 E1089 L1090 Q1095 I1096	Q1088-R1092 PolarHBondContact O-N 2.91Å; E1089-R1092 PolarHBondContact O-N 3.01Å; E1089-R1092 IonicContact OE1-NH1 2.95Å; L1090-R1092 VanDerWaalsContact C-N 3.34Å; R1092-Q1095 PolarHBondContact O-N 3.3Å; R1092-I1096 HydrophobicContact CG-CD1 4.19Å; R1092-I1096 WeakPolarHBondContact O-CG1 3.5Å; R1092-I1096 PolarHBondContact O-N 3.49Å
1093	Q	83.3	Confident	85.2	Confident	100 Å²	100	104.6 Å²	104.6	47%	0.467	51%	0.513	S	S	.	.	H	α-helix	trans	-65.3	-39.8	178.9	-74.6	-176.5	-11.4	0	0	112.5	E1089 L1090 Q1095 I1096 N1097	E1089-Q1093 WeakPolarHBondContact O-CG 3.5Å; E1089-Q1093 PolarHBondContact O-N 3.19Å; L1090-Q1093 PolarHBondContact O-N 3.34Å; Q1093-Q1095 VanDerWaalsContact C-N 3.3Å; Q1093-Q1095 PolarHBondContact O-N 3Å; Q1093-I1096 PolarHBondContact O-N 3Å; Q1093-N1097 PolarHBondContact O-N 2.96Å
1094	K	90.1	Very high	85.5	Confident	127 Å²	127	104.9 Å²	104.9	55%	0.552	51%	0.514	S	S	*	.	H	α-helix	trans	-59.4	-42.3	172.9	-75.3	177.2	178.1	178.6	0	111.3	L1090 A1091 N1097 I1098	L1090-K1094 WeakPolarHBondContact O-CG 3.48Å; L1090-K1094 PolarHBondContact O-N 3.24Å; A1091-K1094 PolarHBondContact O-N 3.33Å; K1094-N1097 PolarHBondContact O-N 2.99Å; K1094-I1098 VanDerWaalsContact O-CG1 3.29Å; K1094-I1098 WeakPolarHBondContact O-CG1 3.35Å; K1094-I1098 PolarHBondContact O-N 3.01Å
1095	Q	89.9	Confident	85.8	Confident	102 Å²	102	107.1 Å²	107.1	48%	0.477	52%	0.523	S	S	.	.	H	α-helix	trans	-65.4	-41.1	177.4	-168.4	60.9	44.3	0	0	112.7	A1091 R1092 Q1093 I1098 N1099	A1091-Q1095 PolarHBondContact O-N 3.36Å; R1092-Q1095 PolarHBondContact O-N 3.3Å; Q1093-Q1095 VanDerWaalsContact C-N 3.3Å; Q1093-Q1095 PolarHBondContact O-N 3Å; Q1095-I1098 PolarHBondContact O-N 3.44Å; Q1095-N1099 PolarHBondContact NE2-OD1 3.21Å; Q1095-N1099 VanDerWaalsContact NE2-OD1 3.17Å; Q1095-N1099 VanDerWaalsContact O-CG 3.23Å; Q1095-N1099 PolarHBondContact O-N 3.09Å; Q1095-N1099 PolarHBondContact O-OD1 3Å
1096	I	90.8	Very high	85.4	Confident	79 Å²	79	106.8 Å²	106.8	41%	0.405	52%	0.521	S	S	.	.	H	α-helix	trans	-61.9	-44.4	175.8	-69	167.2	0	0	0	110.8	R1092 Q1093 I1098 N1099 L1100	R1092-I1096 HydrophobicContact CG-CD1 4.19Å; R1092-I1096 WeakPolarHBondContact O-CG1 3.5Å; R1092-I1096 PolarHBondContact O-N 3.49Å; Q1093-I1096 PolarHBondContact O-N 3Å; I1096-I1098 PolarHBondContact O-N 3.2Å; I1096-N1099 PolarHBondContact O-N 3.24Å; I1096-L1100 HydrophobicContact CG2-CD1 4.07Å; I1096-L1100 PolarHBondContact O-N 3.47Å
1097	N	84.9	Confident	85.6	Confident	90 Å²	90	108 Å²	108	48%	0.481	52%	0.523	S	S	.	.	H	α-helix	trans	-62.6	-43.5	177.3	-80	-12.7	0	0	0	111.7	Q1093 K1094 N1099 L1100 Y1101	Q1093-N1097 PolarHBondContact O-N 2.96Å; K1094-N1097 PolarHBondContact O-N 2.99Å; N1097-N1099 VanDerWaalsContact C-N 3.33Å; N1097-N1099 PolarHBondContact O-N 2.92Å; N1097-L1100 PolarHBondContact O-N 2.96Å; N1097-Y1101 WeakPolarHBondContact O-CD2 3.34Å; N1097-Y1101 PolarHBondContact O-N 3.13Å
1098	I	92.3	Very high	84.9	Confident	81 Å²	81	106.1 Å²	106.1	42%	0.415	52%	0.516	S	S	.	.	H	α-helix	trans	-58.6	-45.4	175.6	-69.4	165.2	0	0	0	110.8	K1094 Q1095 I1096 L1100 Y1101 Q1102	K1094-I1098 VanDerWaalsContact O-CG1 3.29Å; K1094-I1098 WeakPolarHBondContact O-CG1 3.35Å; K1094-I1098 PolarHBondContact O-N 3.01Å; Q1095-I1098 PolarHBondContact O-N 3.44Å; I1096-I1098 PolarHBondContact O-N 3.2Å; I1098-L1100 PolarHBondContact O-N 3.3Å; I1098-Y1101 PolarHBondContact O-N 3.39Å; I1098-Q1102 WeakPolarHBondContact O-CG 3.4Å; I1098-Q1102 PolarHBondContact O-N 3.44Å
1099	N	91.2	Very high	84.1	Confident	72 Å²	72	102.6 Å²	102.6	39%	0.385	51%	0.508	S	S	.	.	H	α-helix	trans	-63.9	-40.2	178.3	-66.4	-6.4	0	0	0	112.1	Q1095 I1096 N1097 Q1102 L1103	Q1095-N1099 PolarHBondContact NE2-OD1 3.21Å; Q1095-N1099 VanDerWaalsContact NE2-OD1 3.17Å; Q1095-N1099 VanDerWaalsContact O-CG 3.23Å; Q1095-N1099 PolarHBondContact O-N 3.09Å; Q1095-N1099 PolarHBondContact O-OD1 3Å; I1096-N1099 PolarHBondContact O-N 3.24Å; N1097-N1099 VanDerWaalsContact C-N 3.33Å; N1097-N1099 PolarHBondContact O-N 2.92Å; N1099-Q1102 PolarHBondContact O-N 3.01Å; N1099-L1103 WeakPolarHBondContact O-CB 3.46Å; N1099-L1103 PolarHBondContact O-N 3Å
1100	L	86.4	Confident	83.6	Confident	98 Å²	98	103.1 Å²	103.1	51%	0.513	52%	0.517	S	S	.	.	H	α-helix	trans	-62.7	-45	174.7	-94.4	159.5	0	0	0	111.7	I1096 N1097 I1098 Q1102 L1103 L1104	I1096-L1100 HydrophobicContact CG2-CD1 4.07Å; I1096-L1100 PolarHBondContact O-N 3.47Å; N1097-L1100 PolarHBondContact O-N 2.96Å; I1098-L1100 PolarHBondContact O-N 3.3Å; L1100-Q1102 VanDerWaalsContact C-N 3.34Å; L1100-Q1102 PolarHBondContact O-N 3.48Å; L1100-L1103 PolarHBondContact O-N 2.96Å; L1100-L1104 WeakPolarHBondContact O-CB 3.43Å; L1100-L1104 PolarHBondContact O-N 3.24Å
1101	Y	82.6	Confident	82.3	Confident	172 Å²	172	106.8 Å²	106.8	68%	0.675	53%	0.532	S	S	*	.	H	α-helix	trans	-61	-42.7	175.4	-83.2	-68.3	0	0	0	111.7	N1097 I1098 L1104 V1105	N1097-Y1101 WeakPolarHBondContact O-CD2 3.34Å; N1097-Y1101 PolarHBondContact O-N 3.13Å; I1098-Y1101 PolarHBondContact O-N 3.39Å; Y1101-L1104 PolarHBondContact O-N 3.48Å; Y1101-V1105 WeakPolarHBondContact O-CB 3.28Å; Y1101-V1105 VanDerWaalsContact O-CG2 3.25Å; Y1101-V1105 WeakPolarHBondContact O-CG2 3.42Å; Y1101-V1105 PolarHBondContact O-N 3.33Å
1102	Q	84.5	Confident	80.3	Confident	120 Å²	120	111.9 Å²	111.9	56%	0.561	55%	0.548	S	S	*	.	H	α-helix	trans	-63.1	-41.9	176.6	-73.3	178.5	-7.8	0	0	112.5	I1098 N1099 L1100 V1105 Q1106	I1098-Q1102 WeakPolarHBondContact O-CG 3.4Å; I1098-Q1102 PolarHBondContact O-N 3.44Å; N1099-Q1102 PolarHBondContact O-N 3.01Å; L1100-Q1102 VanDerWaalsContact C-N 3.34Å; L1100-Q1102 PolarHBondContact O-N 3.48Å; Q1102-V1105 PolarHBondContact O-N 3.29Å; Q1102-Q1106 PolarHBondContact O-N 2.9Å
1103	L	85.1	Confident	77.9	Confident	110 Å²	110	110.1 Å²	110.1	58%	0.576	58%	0.577	S	S	*	*	H	α-helix	trans	-62.7	-41.7	174.1	-101.3	155.8	0	0	0	112.2	N1099 L1100 Q1106 K1107	N1099-L1103 WeakPolarHBondContact O-CB 3.46Å; N1099-L1103 PolarHBondContact O-N 3Å; L1100-L1103 PolarHBondContact O-N 2.96Å; L1103-Q1106 PolarHBondContact O-N 3.39Å; L1103-K1107 WeakPolarHBondContact O-CB 3.49Å; L1103-K1107 PolarHBondContact O-N 3.35Å
1104	L	78.3	Confident	77.6	Confident	101 Å²	101	110.7 Å²	110.7	53%	0.529	58%	0.583	S	S	.	*	H	α-helix	trans	-68.5	-38.7	-179.6	-147.3	141.7	0	0	0	110.8	L1100 Y1101 K1107 I1108	L1100-L1104 WeakPolarHBondContact O-CB 3.43Å; L1100-L1104 PolarHBondContact O-N 3.24Å; Y1101-L1104 PolarHBondContact O-N 3.48Å; L1104-K1107 PolarHBondContact O-N 3.09Å; L1104-I1108 HydrophobicContact CD2-CD1 3.65Å; L1104-I1108 HydrophobicContact CD2-CG1 4.37Å; L1104-I1108 VanDerWaalsContact O-CG1 3.29Å; L1104-I1108 WeakPolarHBondContact O-CG1 3.32Å; L1104-I1108 PolarHBondContact O-N 3.24Å
1105	V	83.8	Confident	77	Confident	96 Å²	96	109.8 Å²	109.8	58%	0.582	59%	0.585	S	S	*	*	H	α-helix	trans	-64.2	-42.7	171.4	172.5	0	0	0	0	111.4	Y1101 Q1102 K1107 I1108 S1109	Y1101-V1105 WeakPolarHBondContact O-CB 3.28Å; Y1101-V1105 VanDerWaalsContact O-CG2 3.25Å; Y1101-V1105 WeakPolarHBondContact O-CG2 3.42Å; Y1101-V1105 PolarHBondContact O-N 3.33Å; Q1102-V1105 PolarHBondContact O-N 3.29Å; V1105-K1107 PolarHBondContact O-N 3.24Å; V1105-I1108 PolarHBondContact O-N 3.41Å; V1105-S1109 WeakPolarHBondContact O-CB 3.4Å; V1105-S1109 PolarHBondContact O-N 2.81Å; V1105-S1109 PolarHBondContact O-OG 3Å
1106	Q	77.5	Confident	76.3	Confident	128 Å²	128	110.2 Å²	110.2	60%	0.598	59%	0.591	S	S	*	*	H	α-helix	trans	-62	-41.2	174.2	-82.3	-176.5	-16.1	0	0	112.2	Q1102 L1103 S1109 T1110	Q1102-Q1106 PolarHBondContact O-N 2.9Å; L1103-Q1106 PolarHBondContact O-N 3.39Å; Q1106-S1109 WeakPolarHBondContact CA-OG 3.5Å; Q1106-S1109 PolarHBondContact O-N 3.3Å; Q1106-S1109 PolarHBondContact O-OG 3.29Å; Q1106-T1110 PolarHBondContact O-N 3.17Å; Q1106-T1110 PolarHBondContact O-OG1 3.43Å
1107	K	76.8	Confident	75.4	Confident	142 Å²	142	112.1 Å²	112.1	62%	0.617	60%	0.602	S	S	*	*	H	α-helix	trans	-63.4	-47.3	176.2	-120.3	-177	176.6	-171.9	0	112.3	L1103 L1104 V1105 S1109 T1110 E1111	L1103-K1107 WeakPolarHBondContact O-CB 3.49Å; L1103-K1107 PolarHBondContact O-N 3.35Å; L1104-K1107 PolarHBondContact O-N 3.09Å; V1105-K1107 PolarHBondContact O-N 3.24Å; K1107-S1109 VanDerWaalsContact C-N 3.28Å; K1107-S1109 PolarHBondContact O-N 3.05Å; K1107-T1110 WeakPolarHBondContact CA-OG1 3.05Å; K1107-T1110 PolarHBondContact O-N 3.37Å; K1107-T1110 PolarHBondContact O-OG1 3.03Å; K1107-E1111 PolarHBondContact O-N 3.47Å
1108	I	73.4	Confident	74.8	Confident	87 Å²	87	113.4 Å²	113.4	45%	0.446	61%	0.609	S	S	.	*	H	α-helix	trans	-62.1	-39.2	176	-66.8	168.6	0	0	0	110.5	L1104 V1105 T1110 E1111 M1112	L1104-I1108 HydrophobicContact CD2-CD1 3.65Å; L1104-I1108 HydrophobicContact CD2-CG1 4.37Å; L1104-I1108 VanDerWaalsContact O-CG1 3.29Å; L1104-I1108 WeakPolarHBondContact O-CG1 3.32Å; L1104-I1108 PolarHBondContact O-N 3.24Å; V1105-I1108 PolarHBondContact O-N 3.41Å; I1108-T1110 VanDerWaalsContact C-N 3.29Å; I1108-T1110 PolarHBondContact O-N 3.42Å; I1108-E1111 PolarHBondContact O-N 3.27Å; I1108-M1112 HydrophobicContact CG2-CG 4.21Å; I1108-M1112 WeakPolarHBondContact O-CB 3.37Å; I1108-M1112 VanDerWaalsContact O-CG 3.24Å; I1108-M1112 WeakPolarHBondContact O-CG 3.37Å; I1108-M1112 PolarHBondContact O-N 3.33Å; I1108-M1112 VanDerWaalsContact O-N 3.07Å
1109	S	68.8	Low	73.7	Confident	72 Å²	72	115.6 Å²	115.6	50%	0.503	62%	0.622	S	S	.	*	H	α-helix	trans	-68.3	-26.3	178.2	72.8	0	0	0	0	114	V1105 Q1106 K1107	V1105-S1109 WeakPolarHBondContact O-CB 3.4Å; V1105-S1109 PolarHBondContact O-N 2.81Å; V1105-S1109 PolarHBondContact O-OG 3Å; Q1106-S1109 WeakPolarHBondContact CA-OG 3.5Å; Q1106-S1109 PolarHBondContact O-N 3.3Å; Q1106-S1109 PolarHBondContact O-OG 3.29Å; K1107-S1109 VanDerWaalsContact C-N 3.28Å; K1107-S1109 PolarHBondContact O-N 3.05Å
1110	T	70.2	Confident	72.4	Confident	98 Å²	98	118.7 Å²	118.7	60%	0.601	64%	0.639	S	S	*	*	H	α-helix	trans	-87.2	-23.5	176.9	42.2	0	0	0	0	113.1	Q1106 K1107 I1108	Q1106-T1110 PolarHBondContact O-N 3.17Å; Q1106-T1110 PolarHBondContact O-OG1 3.43Å; K1107-T1110 WeakPolarHBondContact CA-OG1 3.05Å; K1107-T1110 PolarHBondContact O-N 3.37Å; K1107-T1110 PolarHBondContact O-OG1 3.03Å; I1108-T1110 VanDerWaalsContact C-N 3.29Å; I1108-T1110 PolarHBondContact O-N 3.42Å
1111	E	59.8	Low	71.4	Confident	156 Å²	156	120.3 Å²	120.3	73%	0.729	65%	0.649	S	S	*	*	H	α-helix	trans	-82.8	-24.3	172	-73.8	178.5	178.4	0	0	112.9	K1107 I1108	K1107-E1111 PolarHBondContact O-N 3.47Å; I1108-E1111 PolarHBondContact O-N 3.27Å
1112	M	46	Very low	70.4	Confident	166 Å²	166	116 Å²	116	82%	0.818	65%	0.646	S	S	*	*			trans	-88.3	-14.5	179.5	-73.5	-93.1	-75.8	0	0	114.3	I1108	I1108-M1112 HydrophobicContact CG2-CG 4.21Å; I1108-M1112 WeakPolarHBondContact O-CB 3.37Å; I1108-M1112 VanDerWaalsContact O-CG 3.24Å; I1108-M1112 WeakPolarHBondContact O-CG 3.37Å; I1108-M1112 PolarHBondContact O-N 3.33Å; I1108-M1112 VanDerWaalsContact O-N 3.07Å
1113	G	41	Very low	69.1	Low	116 Å²	116	115.6 Å²	115.6	100%	1.196	65%	0.654	S	S	*	*			trans	-106.8	0	175.8	0	0	0	0	0	110.9

Retrieved 1,113 of 1,113 residues in 1287.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).