A0A096MW85_PAPAN Loading...

Calcium-transporting ATPase

Catalyzes the hydrolysis of ATP coupled with the transport of calcium.

AlphaFold DB , UniProt , Accession A0A096MW85, Species PAPAN (Papio anubis, Olive baboon), Gene ATP2B4, Length 1,205 aa.

						>A0A096MW85_PAPAN|A0A096MW85|ATP2B4
MTNPSDRVLPANSMAESREGDFGCTVMELRKLMELRSRDALTQINVHYGGVQNLCSRLKTSPVEGLSGNPADLEKRRQVFGHNVIPPKKPKTFLELVWEALQDVTLIILEIAAIISLVLSFYRPAGEENELCGQVASTPEDESEAQAGWIEGAAILFSVIIVVLVTAFNDWSKEKQFRGLQNRIEQEQKFSIIRNGQLIQLPVAEIVVGDIAQVKYGDLLPADGILIQGNDLKIDESSLTGESDHVKKSLDKDPMLLSGTHVMEGSGRMVVTAVGVNSQTGIILTLLGVNEDDEGEKKKKGKKQGVPENRNKAKTQDGVALEIQPLNSQEGIDNEEKDKKAVKVPKKEKSVLQGKLTRLAVQIGKAGLLMSALTVFILILYFVIDNFVINRRPWLPECTPIYIQYFVKFFIIGVTVLVVAVPEGLPLAVTISLAYSVKKMMKDNNLVRHLDACETMGNATAICSDKTGTLTMNRMTVVQAYIGGIHYRQIPSPDVFLPKVLDLIVNGISINSAYTSKILPPEKEGGLPRQVGNKTECALLGFVTDLKQDYQAVRNEVPEEKLYKVYTFNSVRKSMSTVIRNPSGGFRMYSKGASEIILRKCNRILDRKGEAVPFRNKDRDDMIRTVIEPMACDGLRTICIAYRDFNDAEPSWDNENEILTELTCIAVVGIEDPVRPEVPDAIAKCKQAGITVRMVTGDNINTARAIATKCGILTPGDDFLCLEGKEFNRLIRNEKGEVEQEKLDKIWPKLRVLARSSPTDKHTLVKGIIDSTVGEQRQVVAVTGDGTNDGPALKKADVGFAMGIAGTDVAKEASDIILTDDNFTSIVKAVMWGRNVYDSISKFLQFQLTVNVVAVIVAFTGACITQDSPLKAVQMLWVNLIMDTFASLALATEPPTESLLKRRPYGRNKPLISRTMMKNILGHAFYQLLVIFILVFAGEKFFDIDSGRKAPLHSPPTQHYTIVFNTFVLMQLFNEINSRKIHGEKNVFSGIYRNIIFCSVVLGTFICQIFIVEFGGKPFSCTSLSLSQWLWCLFIGIGELLWGQFISAIPTRSLKFLKEAGHGTTKEEITKDAEGLDEIDHAEMELRRGQILWFRGLNRIQTQIKVVKAFHSSLHETIQKPYSQHSIHNFMTHPEFAIDEELPRTPLLDEEEEENPDKASKFGTGVLLLDGEVTPYANTNNNAVDCNQAQLPQSDSSLQSLETSV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.1	Very low	30.5	Very low	252 Å²	252	150.3 Å²	150.3	100%	1.241	85%	0.845	S	S	*	*				0	164.5	0	-75.4	172	171.1	0	0	108.7
2	T	35.9	Very low	30.7	Very low	131 Å²	131	151.3 Å²	151.3	80%	0.804	85%	0.847	S	S	*	*			trans	-95	131.7	-158.6	45.8	0	0	0	0	115
3	N	25.8	Very low	30.5	Very low	158 Å²	158	147.7 Å²	147.7	85%	0.845	84%	0.838	S	S	*	*				-157.5	148.3	120.2	-114.8	-5.5	0	0	0	111.2
4	P	39.8	Very low	31	Very low	107 Å²	107	150.9 Å²	150.9	70%	0.695	85%	0.846	S	S	*	*			trans	-111.9	-176.8	-173.5	42.2	-35.2	0	0	0	114.8
5	S	27.6	Very low	31.1	Very low	103 Å²	103	147 Å²	147	72%	0.72	84%	0.84	S	S	*	*			trans	74.7	68.8	160.1	62	0	0	0	0	119.5
6	D	30.6	Very low	31.4	Very low	165 Å²	165	149.9 Å²	149.9	88%	0.882	84%	0.844	S	S	*	*			trans	-71.7	122.6	139.8	-83.8	-52.5	0	0	0	109.9
7	R	27.2	Very low	31.5	Very low	229 Å²	229	146.2 Å²	146.2	86%	0.864	83%	0.83	S	S	*	*			trans	-129.1	91.7	166.1	-93	-171.1	170.4	-176.9	-1.5	109	L9	R7-L9 PolarHBondContact O-N 2.64Å; R7-L9 VanDerWaalsContact O-N 3.15Å
8	V	31.4	Very low	31.7	Very low	143 Å²	143	151.2 Å²	151.2	87%	0.867	83%	0.834	S	S	*	*			trans	-68.6	109.1	168.9	-178.3	0	0	0	0	108.4
9	L	27.5	Very low	32.2	Very low	144 Å²	144	153.8 Å²	153.8	75%	0.754	84%	0.839	S	S	*	*			trans	-80.4	152	169.1	-77.2	168.5	0	0	0	110	R7 A11	R7-L9 PolarHBondContact O-N 2.64Å; R7-L9 VanDerWaalsContact O-N 3.15Å; L9-A11 PolarHBondContact O-N 3.44Å
10	P	29.8	Very low	33	Very low	117 Å²	117	149.1 Å²	149.1	76%	0.76	83%	0.827	S	S	*	*			trans	-67.1	123.8	-177.5	27.3	-34.3	0	0	0	111.1	N12	P10-N12 VanDerWaalsContact C-N 3.32Å; P10-N12 PolarHBondContact O-N 3.18Å
11	A	28.3	Very low	34.4	Very low	104 Å²	104	146.2 Å²	146.2	86%	0.86	81%	0.81	S	S	*	*			trans	-73.9	82.5	177	0	0	0	0	0	110.8	L9	L9-A11 PolarHBondContact O-N 3.44Å
12	N	33	Very low	36.4	Very low	163 Å²	163	134.9 Å²	134.9	87%	0.872	75%	0.754	S	S	*	*			trans	-137.9	63	170.6	-145.1	16.1	0	0	0	111.1	P10	P10-N12 VanDerWaalsContact C-N 3.32Å; P10-N12 PolarHBondContact O-N 3.18Å
13	S	28.3	Very low	38.2	Very low	104 Å²	104	130.8 Å²	130.8	73%	0.727	74%	0.738	S	S	*	*	S	Bend	trans	-138.7	122.4	171.5	56.8	0	0	0	0	107.8	A15	S13-A15 PolarHBondContact O-N 2.85Å; S13-A15 VanDerWaalsContact O-N 3.15Å
14	M	37.2	Very low	40.8	Very low	193 Å²	193	123.5 Å²	123.5	95%	0.951	70%	0.7	S	S	*	*			trans	-60.4	118.6	172.4	-73.7	-177.4	169.1	0	0	109.2	E16	M14-E16 PolarHBondContact O-N 3.03Å
15	A	33.4	Very low	43	Very low	92 Å²	92	120.9 Å²	120.9	76%	0.76	68%	0.681	S	S	*	*			trans	-81	114.7	171.9	0	0	0	0	0	108.9	S13 S17	S13-A15 PolarHBondContact O-N 2.85Å; S13-A15 VanDerWaalsContact O-N 3.15Å; A15-S17 PolarHBondContact O-N 2.99Å
16	E	35.7	Very low	45.8	Very low	194 Å²	194	117.6 Å²	117.6	91%	0.907	66%	0.657	S	S	*	*			trans	-62.5	103.7	164.8	-67.7	-177	134.9	0	0	108.3	M14 R18	M14-E16 PolarHBondContact O-N 3.03Å; E16-R18 PolarHBondContact O-N 3.06Å; E16-R18 VanDerWaalsContact O-N 3.16Å
17	S	33.5	Very low	48.3	Very low	86 Å²	86	116.2 Å²	116.2	60%	0.601	65%	0.647	S	S	*	*			trans	-69	112.5	-178.2	57.6	0	0	0	0	110	A15	A15-S17 PolarHBondContact O-N 2.99Å
18	R	34.9	Very low	51.1	Low	237 Å²	237	108.1 Å²	108.1	89%	0.894	62%	0.619	S	S	*	*			trans	-50.7	151	162.2	-67.1	177.5	174.6	174	-3.2	110	E16 G20	E16-R18 PolarHBondContact O-N 3.06Å; E16-R18 VanDerWaalsContact O-N 3.16Å; R18-G20 PolarHBondContact O-N 3.41Å
19	E	40.6	Very low	53.6	Low	201 Å²	201	101.4 Å²	101.4	94%	0.939	58%	0.578	S	S	*	*	S	Bend	trans	-40.2	111.5	-175.8	-65.1	179.4	123	0	0	112.4
20	G	48.6	Very low	56.4	Low	58 Å²	58	98 Å²	98	60%	0.598	56%	0.555	S	S	*	*			trans	-90.9	-179	-173.1	0	0	0	0	0	113.3	R18 F22	R18-G20 PolarHBondContact O-N 3.41Å; G20-F22 PolarHBondContact O-N 2.88Å
21	D	62.6	Low	59	Low	89 Å²	89	98.6 Å²	98.6	48%	0.476	55%	0.546	S	S	.	.	S	Bend	trans	-66.5	3	179.8	-127.8	-58.3	0	0	0	114.9	K59 K75	D21-K59 WeakPolarHBondContact O-CE 3.31Å; D21-K59 PolarHBondContact O-NZ 3.15Å; D21-K59 IonicContact OD1-NZ 2.7Å; D21-K59 PolarHBondContact OD1-NZ 2.9Å; D21-K75 VanDerWaalsContact CG-NZ 3.3Å; D21-K75 IonicContact OD2-NZ 3.98Å; D21-K75 PolarHBondContact OD2-NZ 2.9Å
22	F	72.9	Confident	61.8	Low	15 Å²	15	93.7 Å²	93.7	7%	0.066	51%	0.505	C	S	.	.	S	Bend	trans	-131	138.8	-179.5	-58.5	-77	0	0	0	108.9	G20 C24 K59 K75 R76 V79 F80	G20-F22 PolarHBondContact O-N 2.88Å; F22-C24 PolarHBondContact O-N 3.18Å; F22-K59 HydrophobicContact CD1-CD 4.11Å; F22-K59 HydrophobicContact CD1-CG 4.45Å; F22-K59 HydrophobicContact CE1-CD 4.2Å; F22-K75 HydrophobicContact CE2-CG 4.31Å; F22-R76 HydrophobicContact CE1-CG 4.39Å; F22-R76 HydrophobicContact CE2-CG 4.42Å; F22-R76 HydrophobicContact CZ-CG 3.87Å; F22-V79 HydrophobicContact CD2-CG1 4.41Å; F22-V79 HydrophobicContact CE2-CG2 4.39Å; F22-F80 HydrophobicContact CB-CE2 4.41Å; F22-F80 HydrophobicContact CB-CZ 4.01Å; F22-F80 AromaticContact CD2-CE2 3.81Å; F22-F80 HydrophobicContact CD2-CE2 3.81Å; F22-F80 HydrophobicContact CD2-CZ 4.18Å; F22-F80 HydrophobicContact CE2-CE2 4.23Å; F22-F80 HydrophobicContact CG-CE2 4.07Å; F22-F80 HydrophobicContact CG-CZ 4.18Å
23	G	73.8	Confident	64.3	Low	45 Å²	45	85.9 Å²	85.9	46%	0.464	46%	0.464	S	S	.	.	S	Bend	trans	-76.4	19.7	-171.4	0	0	0	0	0	115.8	R57	G23-R57 PolarHBondContact N-O 3.39Å; G23-R57 WeakPolarHBondContact O-CD 3.32Å
24	C	80.8	Confident	66.9	Low	5 Å²	5	85.3 Å²	85.3	3%	0.034	45%	0.449	C	S	.	.	S	Bend	trans	-150	138.1	-179.7	-57.6	0	0	0	0	109.6	F22 L29 L58	F22-C24 PolarHBondContact O-N 3.18Å; C24-L29 HydrophobicContact CB-CD1 4.28Å; C24-L29 HydrophobicContact CB-CD2 4.16Å; C24-L29 HydrophobicContact CB-CG 4.14Å; C24-L58 HydrophobicContact CB-CD2 4.26Å
25	T	85.1	Confident	69.1	Low	51 Å²	51	78.2 Å²	78.2	31%	0.313	42%	0.415	S	S	.	.			trans	-90.9	162.4	174	65.2	0	0	0	0	112.5	M27 E28 L29	T25-M27 VanDerWaalsContact C-N 3.29Å; T25-M27 PolarHBondContact O-N 3.33Å; T25-E28 WeakPolarHBondContact CB-OE2 3.37Å; T25-E28 WeakPolarHBondContact CG2-OE2 3.17Å; T25-E28 PolarHBondContact N-OE2 3.11Å; T25-E28 PolarHBondContact O-N 3.14Å; T25-E28 WeakPolarHBondContact OG1-CB 3.36Å; T25-E28 VanDerWaalsContact OG1-CG 3.25Å; T25-E28 WeakPolarHBondContact OG1-CG 3.33Å; T25-E28 PolarHBondContact OG1-N 2.98Å; T25-E28 PolarHBondContact OG1-OE2 2.79Å; T25-L29 WeakPolarHBondContact O-CG 3.3Å; T25-L29 PolarHBondContact O-N 3.13Å; T25-L29 VanDerWaalsContact O-N 3.16Å
26	V	85.8	Confident	71.2	Confident	35 Å²	35	77.7 Å²	77.7	21%	0.212	39%	0.393	C	S	.	.	H	α-helix	trans	-59.3	-40.5	176.3	-166	0	0	0	0	111.8	L29 R30 V79 F80 N277	V26-L29 PolarHBondContact O-N 2.88Å; V26-R30 VanDerWaalsContact O-CB 3.29Å; V26-R30 WeakPolarHBondContact O-CB 3.47Å; V26-R30 PolarHBondContact O-N 3.44Å; V26-V79 WeakPolarHBondContact CG2-O 3.48Å; V26-F80 HydrophobicContact CG2-CD1 3.99Å; V26-N277 HydrophobicContact CG1-CB 4.47Å
27	M	83.6	Confident	73.3	Confident	135 Å²	135	71.1 Å²	71.1	67%	0.665	37%	0.369	S	S	*	.	H	α-helix	trans	-70	-36.8	-177.8	-68.1	-62.2	-71.6	0	0	112.4	T25 K31	T25-M27 VanDerWaalsContact C-N 3.29Å; T25-M27 PolarHBondContact O-N 3.33Å; M27-K31 VanDerWaalsContact O-CB 3.26Å; M27-K31 WeakPolarHBondContact O-CB 3.32Å; M27-K31 PolarHBondContact O-N 2.8Å
28	E	85.8	Confident	75.4	Confident	60 Å²	60	76.6 Å²	76.6	28%	0.28	38%	0.376	S	S	.	.	H	α-helix	trans	-64.8	-43.6	173.4	-75.5	170.2	113.7	0	0	112.3	T25 L32 H47	T25-E28 WeakPolarHBondContact CB-OE2 3.37Å; T25-E28 WeakPolarHBondContact CG2-OE2 3.17Å; T25-E28 PolarHBondContact N-OE2 3.11Å; T25-E28 PolarHBondContact O-N 3.14Å; T25-E28 WeakPolarHBondContact OG1-CB 3.36Å; T25-E28 VanDerWaalsContact OG1-CG 3.25Å; T25-E28 WeakPolarHBondContact OG1-CG 3.33Å; T25-E28 PolarHBondContact OG1-N 2.98Å; T25-E28 PolarHBondContact OG1-OE2 2.79Å; E28-L32 WeakPolarHBondContact O-CB 3.43Å; E28-L32 PolarHBondContact O-N 3.18Å; E28-H47 IonicContact OE1-CE1 2.65Å
29	L	85.5	Confident	77.6	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-68.2	-42	178	-66.2	172.3	0	0	0	111.7	C24 T25 V26 L32 M33 L54 L58 F80 V208 T272	C24-L29 HydrophobicContact CB-CD1 4.28Å; C24-L29 HydrophobicContact CB-CD2 4.16Å; C24-L29 HydrophobicContact CB-CG 4.14Å; T25-L29 WeakPolarHBondContact O-CG 3.3Å; T25-L29 PolarHBondContact O-N 3.13Å; T25-L29 VanDerWaalsContact O-N 3.16Å; V26-L29 PolarHBondContact O-N 2.88Å; L29-L32 WeakPolarHBondContact O-CB 3.22Å; L29-L32 PolarHBondContact O-N 2.81Å; L29-M33 WeakPolarHBondContact O-CG 3.21Å; L29-M33 PolarHBondContact O-N 2.87Å; L29-L54 HydrophobicContact CD2-CD1 4.14Å; L29-L58 HydrophobicContact CD1-CD2 4.15Å; L29-F80 HydrophobicContact CD1-CD1 3.97Å; L29-F80 HydrophobicContact CD1-CE1 3.64Å; L29-V208 HydrophobicContact CD1-CG1 3.88Å; L29-T272 HydrophobicContact CD2-CG2 4.39Å
30	R	85.2	Confident	79.4	Confident	72 Å²	72	61 Å²	61	27%	0.272	32%	0.317	S	S	.	.	H	α-helix	trans	-59.2	-51.5	173.5	174.5	-180	166	152.3	2.5	111.5	V26 L32 M33 E34 I282	V26-R30 VanDerWaalsContact O-CB 3.29Å; V26-R30 WeakPolarHBondContact O-CB 3.47Å; V26-R30 PolarHBondContact O-N 3.44Å; R30-L32 PolarHBondContact O-N 3.34Å; R30-M33 WeakPolarHBondContact O-CA 3.46Å; R30-M33 PolarHBondContact O-N 2.92Å; R30-E34 IonicContact NE-OE1 3.69Å; R30-E34 PolarHBondContact NE-OE1 3.27Å; R30-E34 VanDerWaalsContact NE-OE1 3.16Å; R30-E34 IonicContact NH2-OE1 3.12Å; R30-E34 PolarHBondContact O-N 2.87Å; R30-I282 HydrophobicContact CG-CD1 4.1Å; R30-I282 VanDerWaalsContact CZ-CD1 3.49Å
31	K	85.3	Confident	81	Confident	130 Å²	130	59.5 Å²	59.5	57%	0.565	30%	0.295	S	S	*	.	H	α-helix	trans	-61.9	-28.5	178.5	-171.7	176.7	-178.3	-178.2	0	112.3	M27 E34	M27-K31 VanDerWaalsContact O-CB 3.26Å; M27-K31 WeakPolarHBondContact O-CB 3.32Å; M27-K31 PolarHBondContact O-N 2.8Å; K31-E34 PolarHBondContact O-N 2.9Å
32	L	85.4	Confident	81.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-67.3	-36.7	172.5	-167.8	62.5	0	0	0	112.1	E28 L29 R30 E34 L35 Q43 I44 Y48 L54 I225	E28-L32 WeakPolarHBondContact O-CB 3.43Å; E28-L32 PolarHBondContact O-N 3.18Å; L29-L32 WeakPolarHBondContact O-CB 3.22Å; L29-L32 PolarHBondContact O-N 2.81Å; R30-L32 PolarHBondContact O-N 3.34Å; L32-E34 VanDerWaalsContact C-N 3.31Å; L32-L35 HydrophobicContact CD1-CD1 4.48Å; L32-L35 PolarHBondContact O-N 3.32Å; L32-Q43 HydrophobicContact CD1-CB 4.24Å; L32-Q43 HydrophobicContact CD1-CG 4.19Å; L32-I44 HydrophobicContact CD1-CG1 4.11Å; L32-I44 HydrophobicContact CD2-CG1 4.39Å; L32-Y48 HydrophobicContact CD1-CE2 4.12Å; L32-Y48 HydrophobicContact CD2-CD2 4.47Å; L32-Y48 HydrophobicContact CD2-CE2 3.88Å; L32-L54 HydrophobicContact CD2-CD2 4.48Å; L32-I225 HydrophobicContact CD2-CD1 3.74Å; L32-I225 HydrophobicContact CG-CD1 4.47Å
33	M	86.3	Confident	82.4	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-79.9	-7.4	177.6	-59.8	-58.4	92.3	0	0	114.1	L29 R30 L35 R36 D223 I225 M255 T272 A273 Q279	L29-M33 WeakPolarHBondContact O-CG 3.21Å; L29-M33 PolarHBondContact O-N 2.87Å; R30-M33 WeakPolarHBondContact O-CA 3.46Å; R30-M33 PolarHBondContact O-N 2.92Å; M33-L35 VanDerWaalsContact C-N 3.34Å; M33-R36 PolarHBondContact O-NH1 2.7Å; M33-D223 HydrophobicContact CB-CB 4.41Å; M33-D223 HydrophobicContact CG-CB 3.78Å; M33-D223 HydrophobicContact SD-CB 3.82Å; M33-I225 HydrophobicContact CE-CD1 3.86Å; M33-I225 HydrophobicContact CE-CG1 3.81Å; M33-M255 HydrophobicContact CE-CE 4.21Å; M33-M255 HydrophobicContact CE-SD 3.57Å; M33-M255 VanDerWaalsContact CE-SD 3.57Å; M33-M255 HydrophobicContact SD-SD 4.34Å; M33-T272 HydrophobicContact CE-CG2 4.42Å; M33-T272 PolarHBondContact SD-OG1 2.98Å; M33-A273 HydrophobicContact CG-CB 4.38Å; M33-Q279 HydrophobicContact CB-CG 4.31Å; M33-Q279 WeakPolarHBondContact O-CG 3.48Å; M33-Q279 PolarHBondContact O-NE2 3.47Å; M33-Q279 PolarHBondContact O-OE1 2.95Å
34	E	82.8	Confident	82.8	Confident	91 Å²	91	59.3 Å²	59.3	43%	0.425	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-16.5	170.2	-68.8	165.2	-178.6	0	0	111.6	R30 K31 L32	R30-E34 IonicContact NE-OE1 3.69Å; R30-E34 PolarHBondContact NE-OE1 3.27Å; R30-E34 VanDerWaalsContact NE-OE1 3.16Å; R30-E34 IonicContact NH2-OE1 3.12Å; R30-E34 PolarHBondContact O-N 2.87Å; K31-E34 PolarHBondContact O-N 2.9Å; L32-E34 VanDerWaalsContact C-N 3.31Å
35	L	83.1	Confident	82.9	Confident	44 Å²	44	63.4 Å²	63.4	23%	0.23	31%	0.307	C	S	.	.			trans	-89.8	160.3	-179.4	-61.9	171.7	0	0	0	113	L32 M33 D39 A40 Q43	L32-L35 HydrophobicContact CD1-CD1 4.48Å; L32-L35 PolarHBondContact O-N 3.32Å; M33-L35 VanDerWaalsContact C-N 3.34Å; L35-D39 HydrophobicContact CD2-CB 4.49Å; L35-A40 HydrophobicContact CB-CB 3.81Å; L35-Q43 HydrophobicContact CD1-CB 3.97Å; L35-Q43 VanDerWaalsContact CD1-CD 3.47Å; L35-Q43 HydrophobicContact CD1-CG 4.29Å
36	R	78.1	Confident	82.6	Confident	82 Å²	82	66.7 Å²	66.7	31%	0.309	33%	0.326	S	S	.	.			trans	-133.5	152.9	-179.7	-61.7	-67.4	175.3	-91.3	-1.6	112	M33 R38 D39 A40	M33-R36 PolarHBondContact O-NH1 2.7Å; R36-R38 PolarHBondContact O-N 3.02Å; R36-D39 PolarHBondContact O-N 3.32Å; R36-A40 PolarHBondContact O-N 2.99Å
37	S	79.5	Confident	82.2	Confident	55 Å²	55	69.6 Å²	69.6	39%	0.385	34%	0.338	S	S	.	.	H	α-helix	trans	48.2	-121.7	168.4	-67.2	0	0	0	0	113.9	D39 L41 K252 D253	S37-D39 PolarHBondContact O-N 2.85Å; S37-L41 PolarHBondContact O-N 3.47Å; S37-L41 VanDerWaalsContact O-N 3.11Å; S37-K252 CarbonylContact C-O 3.42Å; S37-K252 VanDerWaalsContact C-O 3.29Å; S37-K252 VanDerWaalsContact CA-O 3.26Å; S37-K252 WeakPolarHBondContact CA-O 3.36Å; S37-D253 WeakPolarHBondContact CA-OD1 3.39Å; S37-D253 PolarHBondContact N-OD1 2.93Å
38	R	76.9	Confident	82	Confident	201 Å²	201	63.5 Å²	63.5	76%	0.758	31%	0.307	S	S	*	.	H	α-helix	trans	-66.2	-31.2	-173.2	-76.3	179.6	166.6	164.5	-5.5	114.1	R36 L41 T42	R36-R38 PolarHBondContact O-N 3.02Å; R38-L41 PolarHBondContact O-N 2.93Å; R38-T42 WeakPolarHBondContact O-CB 3.35Å; R38-T42 PolarHBondContact O-N 3.16Å; R38-T42 PolarHBondContact O-OG1 2.76Å
39	D	81.1	Confident	81.5	Confident	112 Å²	112	62.7 Å²	62.7	60%	0.599	32%	0.315	S	S	*	.	H	α-helix	trans	-76.1	-41.6	-176.2	-57.9	-26.7	0	0	0	110.2	L35 R36 S37 L41 T42 Q43	L35-D39 HydrophobicContact CD2-CB 4.49Å; R36-D39 PolarHBondContact O-N 3.32Å; S37-D39 PolarHBondContact O-N 2.85Å; D39-L41 PolarHBondContact O-N 2.74Å; D39-T42 PolarHBondContact O-N 3.08Å; D39-Q43 PolarHBondContact O-N 3.07Å
40	A	80.3	Confident	81.4	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-58	-47.8	169.2	0	0	0	0	0	111.2	L35 R36 T42 Q43 I44 M255	L35-A40 HydrophobicContact CB-CB 3.81Å; R36-A40 PolarHBondContact O-N 2.99Å; A40-T42 VanDerWaalsContact C-N 3.35Å; A40-T42 PolarHBondContact O-N 3.32Å; A40-Q43 PolarHBondContact O-N 2.95Å; A40-I44 WeakPolarHBondContact O-CB 3.16Å; A40-I44 WeakPolarHBondContact O-CD1 3.4Å; A40-I44 WeakPolarHBondContact O-CG1 3.35Å; A40-I44 PolarHBondContact O-N 3.15Å; A40-M255 HydrophobicContact CB-CE 4.14Å; A40-M255 HydrophobicContact CB-CG 3.8Å; A40-M255 HydrophobicContact CB-SD 3.83Å
41	L	81.4	Confident	81.2	Confident	26 Å²	26	60.9 Å²	60.9	14%	0.136	31%	0.314	C	S	.	.	H	α-helix	trans	-58.5	-43.1	176.8	-112.4	161.1	0	0	0	113.2	S37 R38 D39 I44 N45 L250 D251 P254	S37-L41 PolarHBondContact O-N 3.47Å; S37-L41 VanDerWaalsContact O-N 3.11Å; R38-L41 PolarHBondContact O-N 2.93Å; D39-L41 PolarHBondContact O-N 2.74Å; L41-I44 PolarHBondContact O-N 2.89Å; L41-N45 PolarHBondContact O-N 3Å; L41-N45 PolarHBondContact O-ND2 2.92Å; L41-L250 WeakPolarHBondContact CD2-O 3.48Å; L41-D251 VanDerWaalsContact CD1-C 3.44Å; L41-P254 HydrophobicContact CG-CG 4.16Å
42	T	81.3	Confident	81.2	Confident	82 Å²	82	61.4 Å²	61.4	50%	0.503	32%	0.319	S	S	.	.	H	α-helix	trans	-64.8	-45.1	177.6	-57	0	0	0	0	110.4	R38 D39 A40 N45 V46	R38-T42 WeakPolarHBondContact O-CB 3.35Å; R38-T42 PolarHBondContact O-N 3.16Å; R38-T42 PolarHBondContact O-OG1 2.76Å; D39-T42 PolarHBondContact O-N 3.08Å; A40-T42 VanDerWaalsContact C-N 3.35Å; A40-T42 PolarHBondContact O-N 3.32Å; T42-N45 PolarHBondContact O-N 2.98Å; T42-V46 HydrophobicContact CG2-CG2 4.22Å; T42-V46 WeakPolarHBondContact O-CB 3.5Å; T42-V46 VanDerWaalsContact O-CG2 3.32Å; T42-V46 WeakPolarHBondContact O-CG2 3.29Å; T42-V46 PolarHBondContact O-N 3.23Å
43	Q	82.4	Confident	81.1	Confident	61 Å²	61	65.6 Å²	65.6	29%	0.285	34%	0.341	S	S	.	.	H	α-helix	trans	-68.1	-35.3	178.7	-165.8	163.9	-71.3	0	0	112.8	L32 L35 D39 A40 H47	L32-Q43 HydrophobicContact CD1-CB 4.24Å; L32-Q43 HydrophobicContact CD1-CG 4.19Å; L35-Q43 HydrophobicContact CD1-CB 3.97Å; L35-Q43 VanDerWaalsContact CD1-CD 3.47Å; L35-Q43 HydrophobicContact CD1-CG 4.29Å; D39-Q43 PolarHBondContact O-N 3.07Å; A40-Q43 PolarHBondContact O-N 2.95Å; Q43-H47 HydrophobicContact CG-CB 4.28Å; Q43-H47 WeakPolarHBondContact O-CB 3.43Å; Q43-H47 PolarHBondContact O-N 2.88Å
44	I	83.1	Confident	81	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	34%	0.341	C	S	.	.	I	π-helix	trans	-60.2	-47.7	172	-70.7	161.9	0	0	0	110.9	L32 A40 L41 Y48 G49 G50 V51 I225 P254 M255	L32-I44 HydrophobicContact CD1-CG1 4.11Å; L32-I44 HydrophobicContact CD2-CG1 4.39Å; A40-I44 WeakPolarHBondContact O-CB 3.16Å; A40-I44 WeakPolarHBondContact O-CD1 3.4Å; A40-I44 WeakPolarHBondContact O-CG1 3.35Å; A40-I44 PolarHBondContact O-N 3.15Å; L41-I44 PolarHBondContact O-N 2.89Å; I44-Y48 CarbonylContact O-C 3.41Å; I44-Y48 WeakPolarHBondContact O-CB 3.47Å; I44-Y48 PolarHBondContact O-N 3.07Å; I44-G49 PolarHBondContact O-N 3.35Å; I44-G49 VanDerWaalsContact O-N 3.13Å; I44-G50 PolarHBondContact O-N 2.87Å; I44-G50 VanDerWaalsContact O-N 3.08Å; I44-V51 HydrophobicContact CG2-CG2 4.04Å; I44-I225 HydrophobicContact CD1-CD1 4.04Å; I44-I225 HydrophobicContact CD1-CG2 4.18Å; I44-I225 HydrophobicContact CG1-CD1 4.34Å; I44-P254 HydrophobicContact CD1-CG 4.16Å; I44-M255 HydrophobicContact CD1-CE 3.63Å
45	N	82.4	Confident	81.1	Confident	91 Å²	91	61.2 Å²	61.2	49%	0.487	32%	0.321	S	S	.	.	I	π-helix	trans	-72.9	-41.9	-176.6	-70.2	-27.1	0	0	0	112.2	L41 T42 G49	L41-N45 PolarHBondContact O-N 3Å; L41-N45 PolarHBondContact O-ND2 2.92Å; T42-N45 PolarHBondContact O-N 2.98Å; N45-G49 WeakPolarHBondContact O-CA 3.45Å; N45-G49 PolarHBondContact O-N 3.43Å
46	V	80.1	Confident	81.2	Confident	120 Å²	120	62.7 Å²	62.7	73%	0.727	34%	0.335	S	S	*	.	I	π-helix	trans	-76.9	-47.2	-178.1	174.9	0	0	0	0	112.7	T42	T42-V46 HydrophobicContact CG2-CG2 4.22Å; T42-V46 WeakPolarHBondContact O-CB 3.5Å; T42-V46 VanDerWaalsContact O-CG2 3.32Å; T42-V46 WeakPolarHBondContact O-CG2 3.29Å; T42-V46 PolarHBondContact O-N 3.23Å
47	H	77.4	Confident	81.5	Confident	97 Å²	97	63.1 Å²	63.1	45%	0.449	34%	0.336	S	S	.	.	I	π-helix	trans	-89.8	-28.8	-170.6	-156.9	-98.2	0	0	0	113.4	E28 Q43 R57	E28-H47 IonicContact OE1-CE1 2.65Å; Q43-H47 HydrophobicContact CG-CB 4.28Å; Q43-H47 WeakPolarHBondContact O-CB 3.43Å; Q43-H47 PolarHBondContact O-N 2.88Å; H47-R57 PolarHBondContact O-NH1 3.34Å; H47-R57 PolarHBondContact O-NH2 3.15Å
48	Y	77.9	Confident	81.8	Confident	6 Å²	6	60.5 Å²	60.5	2%	0.024	32%	0.318	C	S	.	.	I	π-helix	trans	-114	-16.2	-176.2	-56.6	-87.3	0	0	0	114	L32 I44 N53 L54	L32-Y48 HydrophobicContact CD1-CE2 4.12Å; L32-Y48 HydrophobicContact CD2-CD2 4.47Å; L32-Y48 HydrophobicContact CD2-CE2 3.88Å; I44-Y48 CarbonylContact O-C 3.41Å; I44-Y48 WeakPolarHBondContact O-CB 3.47Å; I44-Y48 PolarHBondContact O-N 3.07Å; Y48-N53 WeakPolarHBondContact O-CB 3.4Å; Y48-L54 HydrophobicContact CD1-CD1 3.7Å; Y48-L54 HydrophobicContact CE1-CD1 3.96Å; Y48-L54 HydrophobicContact CG-CD1 4.3Å
49	G	75.8	Confident	82.4	Confident	43 Å²	43	56.4 Å²	56.4	44%	0.443	31%	0.306	S	S	.	.	S	Bend	trans	75.9	28.7	-176.6	0	0	0	0	0	113.5	I44 N45 N53	I44-G49 PolarHBondContact O-N 3.35Å; I44-G49 VanDerWaalsContact O-N 3.13Å; N45-G49 WeakPolarHBondContact O-CA 3.45Å; N45-G49 PolarHBondContact O-N 3.43Å; G49-N53 PolarHBondContact O-ND2 3.39Å
50	G	82.9	Confident	82.7	Confident	12 Å²	12	51.6 Å²	51.6	12%	0.124	28%	0.281	C	S	.	.	S	Bend	trans	93.8	165	179.3	0	0	0	0	0	114.8	I44 Q52 N53 L54	I44-G50 PolarHBondContact O-N 2.87Å; I44-G50 VanDerWaalsContact O-N 3.08Å; G50-Q52 VanDerWaalsContact C-N 3.33Å; G50-Q52 PolarHBondContact O-N 3.03Å; G50-N53 PolarHBondContact O-N 2.99Å; G50-N53 VanDerWaalsContact O-N 3.1Å; G50-L54 PolarHBondContact O-N 3.43Å; G50-L54 VanDerWaalsContact O-N 3.15Å
51	V	82.4	Confident	83.1	Confident	24 Å²	24	53.3 Å²	53.3	15%	0.145	29%	0.292	C	S	.	.	H	α-helix	trans	-60	-35.4	-170.2	-175.1	0	0	0	0	113.3	I44 L54 C55 I225 I227	I44-V51 HydrophobicContact CG2-CG2 4.04Å; V51-L54 PolarHBondContact O-N 2.82Å; V51-C55 PolarHBondContact O-N 2.9Å; V51-C55 VanDerWaalsContact O-N 3.08Å; V51-C55 PolarHBondContact O-SG 3.24Å; V51-I225 HydrophobicContact CG1-CG2 4.19Å; V51-I225 HydrophobicContact CG2-CG2 3.96Å; V51-I227 HydrophobicContact CG1-CG1 4.06Å
52	Q	83.7	Confident	83.2	Confident	141 Å²	141	53.5 Å²	53.5	66%	0.659	30%	0.295	S	S	*	.	H	α-helix	trans	-69.6	-35	177.5	-67.4	-165.1	3.1	0	0	113	G50 C55 S56 P62	G50-Q52 VanDerWaalsContact C-N 3.33Å; G50-Q52 PolarHBondContact O-N 3.03Å; Q52-C55 WeakPolarHBondContact O-CB 3.2Å; Q52-C55 PolarHBondContact O-N 2.68Å; Q52-S56 PolarHBondContact O-N 2.87Å; Q52-S56 PolarHBondContact O-OG 2.86Å; Q52-P62 HydrophobicContact CG-CG 4.44Å
53	N	84.3	Confident	83.2	Confident	88 Å²	88	54.4 Å²	54.4	47%	0.471	30%	0.3	S	S	.	.	H	α-helix	trans	-71.4	-32.7	175.2	-79.9	-46.9	0	0	0	111.6	Y48 G49 G50 S56 R57	Y48-N53 WeakPolarHBondContact O-CB 3.4Å; G49-N53 PolarHBondContact O-ND2 3.39Å; G50-N53 PolarHBondContact O-N 2.99Å; G50-N53 VanDerWaalsContact O-N 3.1Å; N53-S56 WeakPolarHBondContact O-CB 3.4Å; N53-S56 PolarHBondContact O-N 2.88Å; N53-R57 WeakPolarHBondContact O-CG 3.46Å; N53-R57 PolarHBondContact O-N 2.84Å
54	L	84.4	Confident	83.2	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-45.8	168.5	179.4	65.1	0	0	0	111.8	L29 L32 Y48 G50 V51 S56 R57 L58 I225 T272	L29-L54 HydrophobicContact CD2-CD1 4.14Å; L32-L54 HydrophobicContact CD2-CD2 4.48Å; Y48-L54 HydrophobicContact CD1-CD1 3.7Å; Y48-L54 HydrophobicContact CE1-CD1 3.96Å; Y48-L54 HydrophobicContact CG-CD1 4.3Å; G50-L54 PolarHBondContact O-N 3.43Å; G50-L54 VanDerWaalsContact O-N 3.15Å; V51-L54 PolarHBondContact O-N 2.82Å; L54-S56 VanDerWaalsContact C-N 3.26Å; L54-S56 PolarHBondContact O-N 2.81Å; L54-R57 PolarHBondContact O-N 3.47Å; L54-L58 HydrophobicContact CD1-CD1 4.3Å; L54-L58 HydrophobicContact CD1-CG 4.4Å; L54-L58 HydrophobicContact CG-CD1 4.2Å; L54-L58 WeakPolarHBondContact O-CG 3.44Å; L54-L58 PolarHBondContact O-N 3.17Å; L54-I225 HydrophobicContact CD2-CD1 3.61Å; L54-T272 HydrophobicContact CD2-CG2 4.35Å
55	C	84.4	Confident	83.5	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58.1	-40.6	174.9	-62.2	0	0	0	0	111.6	V51 Q52 L58 K59 T60 P62	V51-C55 PolarHBondContact O-N 2.9Å; V51-C55 VanDerWaalsContact O-N 3.08Å; V51-C55 PolarHBondContact O-SG 3.24Å; Q52-C55 WeakPolarHBondContact O-CB 3.2Å; Q52-C55 PolarHBondContact O-N 2.68Å; C55-L58 CarbonylContact O-C 3.14Å; C55-L58 PolarHBondContact O-N 3.04Å; C55-K59 PolarHBondContact O-N 2.87Å; C55-T60 CarbonylContact C-O 3.58Å; C55-T60 WeakPolarHBondContact O-CB 3.44Å; C55-T60 PolarHBondContact O-N 3.18Å; C55-P62 HydrophobicContact CB-CG 3.86Å
56	S	84.6	Confident	83.9	Confident	75 Å²	75	53.1 Å²	53.1	52%	0.524	29%	0.294	S	S	.	.	H	α-helix	trans	-63.3	-43.9	175.9	-57	0	0	0	0	112.5	Q52 N53 L54 L58 K59	Q52-S56 PolarHBondContact O-N 2.87Å; Q52-S56 PolarHBondContact O-OG 2.86Å; N53-S56 WeakPolarHBondContact O-CB 3.4Å; N53-S56 PolarHBondContact O-N 2.88Å; L54-S56 VanDerWaalsContact C-N 3.26Å; L54-S56 PolarHBondContact O-N 2.81Å; S56-L58 VanDerWaalsContact C-N 3.31Å; S56-L58 PolarHBondContact O-N 3.34Å; S56-K59 PolarHBondContact O-N 2.88Å
57	R	85.1	Confident	84.1	Confident	90 Å²	90	50.7 Å²	50.7	34%	0.34	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-33.8	174.5	-70.3	-176.3	-172.2	-163.8	12.2	113	G23 H47 N53 L54 K59	G23-R57 PolarHBondContact N-O 3.39Å; G23-R57 WeakPolarHBondContact O-CD 3.32Å; H47-R57 PolarHBondContact O-NH1 3.34Å; H47-R57 PolarHBondContact O-NH2 3.15Å; N53-R57 WeakPolarHBondContact O-CG 3.46Å; N53-R57 PolarHBondContact O-N 2.84Å; L54-R57 PolarHBondContact O-N 3.47Å; R57-K59 PolarHBondContact O-N 2.86Å
58	L	86.1	Confident	84.2	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	8.3	172.9	-64.4	177.3	0	0	0	113.6	C24 L29 L54 C55 S56 T60 R76 F80 V208 V270	C24-L58 HydrophobicContact CB-CD2 4.26Å; L29-L58 HydrophobicContact CD1-CD2 4.15Å; L54-L58 HydrophobicContact CD1-CD1 4.3Å; L54-L58 HydrophobicContact CD1-CG 4.4Å; L54-L58 HydrophobicContact CG-CD1 4.2Å; L54-L58 WeakPolarHBondContact O-CG 3.44Å; L54-L58 PolarHBondContact O-N 3.17Å; C55-L58 CarbonylContact O-C 3.14Å; C55-L58 PolarHBondContact O-N 3.04Å; S56-L58 VanDerWaalsContact C-N 3.31Å; S56-L58 PolarHBondContact O-N 3.34Å; L58-T60 VanDerWaalsContact C-N 3.32Å; L58-T60 PolarHBondContact O-N 2.67Å; L58-T60 PolarHBondContact O-OG1 2.86Å; L58-R76 PolarHBondContact O-NH1 2.78Å; L58-R76 PolarHBondContact O-NH2 3.43Å; L58-R76 VanDerWaalsContact O-NH2 3.13Å; L58-F80 HydrophobicContact CD2-CZ 4.41Å; L58-V208 HydrophobicContact CD1-CG1 4.47Å; L58-V208 HydrophobicContact CD2-CG1 4.11Å; L58-V270 HydrophobicContact CD1-CG2 3.99Å
59	K	88.4	Confident	84.8	Confident	116 Å²	116	51 Å²	51	50%	0.504	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	49.8	-178.6	-66.1	176.3	171	173	0	112	D21 F22 C55 S56 R57 R76	D21-K59 WeakPolarHBondContact O-CE 3.31Å; D21-K59 PolarHBondContact O-NZ 3.15Å; D21-K59 IonicContact OD1-NZ 2.7Å; D21-K59 PolarHBondContact OD1-NZ 2.9Å; F22-K59 HydrophobicContact CD1-CD 4.11Å; F22-K59 HydrophobicContact CD1-CG 4.45Å; F22-K59 HydrophobicContact CE1-CD 4.2Å; C55-K59 PolarHBondContact O-N 2.87Å; S56-K59 PolarHBondContact O-N 2.88Å; R57-K59 PolarHBondContact O-N 2.86Å; K59-R76 PolarHBondContact O-NH2 2.98Å
60	T	88.6	Confident	85.4	Confident	11 Å²	11	53.7 Å²	53.7	7%	0.067	30%	0.303	C	S	.	.			trans	-131.2	136.2	-170.9	-60.4	0	0	0	0	111.2	C55 L58 L66 G209 I211	C55-T60 CarbonylContact C-O 3.58Å; C55-T60 WeakPolarHBondContact O-CB 3.44Å; C55-T60 PolarHBondContact O-N 3.18Å; L58-T60 VanDerWaalsContact C-N 3.32Å; L58-T60 PolarHBondContact O-N 2.67Å; L58-T60 PolarHBondContact O-OG1 2.86Å; T60-L66 HydrophobicContact CG2-CD2 4.24Å; T60-L66 WeakPolarHBondContact OG1-CD2 3.21Å; T60-G209 WeakPolarHBondContact CG2-O 3.42Å; T60-G209 PolarHBondContact OG1-O 2.82Å; T60-I211 HydrophobicContact CG2-CD1 3.73Å; T60-I211 HydrophobicContact CG2-CG1 3.86Å
61	S	88.5	Confident	85.6	Confident	35 Å²	35	56.3 Å²	56.3	25%	0.245	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-83.5	124.7	171.1	175.6	0	0	0	0	110.7	V63 E64 G65	S61-V63 PolarHBondContact O-N 2.79Å; S61-V63 VanDerWaalsContact O-N 3.13Å; S61-V63 PolarHBondContact OG-N 3.35Å; S61-E64 PolarHBondContact OG-N 2.94Å; S61-E64 VanDerWaalsContact OG-N 3.09Å; S61-G65 PolarHBondContact N-O 3.09Å; S61-G65 VanDerWaalsContact N-O 3.11Å; S61-G65 VanDerWaalsContact O-CA 3.27Å; S61-G65 WeakPolarHBondContact O-CA 3.34Å; S61-G65 PolarHBondContact O-N 2.85Å
62	P	82.9	Confident	85.9	Confident	30 Å²	30	56.9 Å²	56.9	20%	0.195	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.1	175.9	-22.5	32.9	0	0	0	114.5	Q52 C55 I227	Q52-P62 HydrophobicContact CG-CG 4.44Å; C55-P62 HydrophobicContact CB-CG 3.86Å; P62-I227 HydrophobicContact CB-CG2 4.26Å
63	V	82.8	Confident	86.2	Confident	101 Å²	101	50.9 Å²	50.9	61%	0.612	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-42.3	-177.1	-177.9	0	0	0	0	111.5	S61 R268	S61-V63 PolarHBondContact O-N 2.79Å; S61-V63 VanDerWaalsContact O-N 3.13Å; S61-V63 PolarHBondContact OG-N 3.35Å; V63-R268 PolarHBondContact O-NH1 2.67Å
64	E	82.3	Confident	86.4	Confident	115 Å²	115	50.1 Å²	50.1	54%	0.537	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-13.1	-171.5	-57.7	172	143.6	0	0	114	S61 R194 N195 G196	S61-E64 PolarHBondContact OG-N 2.94Å; S61-E64 VanDerWaalsContact OG-N 3.09Å; E64-R194 CarbonylContact O-C 3.57Å; E64-N195 PolarHBondContact O-N 2.9Å; E64-N195 VanDerWaalsContact O-N 3.1Å; E64-G196 PolarHBondContact O-N 3.02Å
65	G	88.9	Confident	86.6	Confident	7 Å²	7	53.9 Å²	53.9	7%	0.072	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	75.9	-141.6	-179.5	0	0	0	0	0	114.6	S61	S61-G65 PolarHBondContact N-O 3.09Å; S61-G65 VanDerWaalsContact N-O 3.11Å; S61-G65 VanDerWaalsContact O-CA 3.27Å; S61-G65 WeakPolarHBondContact O-CA 3.34Å; S61-G65 PolarHBondContact O-N 2.85Å
66	L	91.1	Very high	86.9	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.026	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-88.1	155.7	175.5	-63.2	-175.2	0	0	0	111.6	T60 G68 L73 R76 R194 N195 V207 G209	T60-L66 HydrophobicContact CG2-CD2 4.24Å; T60-L66 WeakPolarHBondContact OG1-CD2 3.21Å; L66-G68 PolarHBondContact O-N 3.49Å; L66-L73 HydrophobicContact CD1-CD2 3.91Å; L66-R76 VanDerWaalsContact CD2-CZ 3.47Å; L66-R194 HydrophobicContact CB-CG 4.33Å; L66-R194 CarbonylContact O-C 3.13Å; L66-R194 VanDerWaalsContact O-CA 3.28Å; L66-R194 WeakPolarHBondContact O-CA 3.43Å; L66-R194 WeakPolarHBondContact O-CB 3.27Å; L66-N195 PolarHBondContact O-N 3.17Å; L66-V207 HydrophobicContact CD1-CG2 3.78Å; L66-G209 WeakPolarHBondContact CD2-O 3.45Å; L66-G209 WeakPolarHBondContact CG-O 3.5Å
67	S	83.6	Confident	87.2	Confident	68 Å²	68	52.9 Å²	52.9	48%	0.476	29%	0.293	S	S	.	.			trans	-71.7	-5	178.8	61.7	0	0	0	0	114.7	N69 N195	S67-N69 PolarHBondContact O-N 3.29Å; S67-N69 VanDerWaalsContact O-N 3.12Å; S67-N195 VanDerWaalsContact CA-OD1 3.26Å; S67-N195 WeakPolarHBondContact CA-OD1 3.49Å; S67-N195 PolarHBondContact O-ND2 3.41Å; S67-N195 PolarHBondContact O-OD1 3.15Å
68	G	80.4	Confident	87.3	Confident	28 Å²	28	55.7 Å²	55.7	29%	0.289	31%	0.31	S	S	.	.			trans	67.6	5.2	-179	0	0	0	0	0	115.5	L66 P70	L66-G68 PolarHBondContact O-N 3.49Å; G68-P70 WeakPolarHBondContact O-CD 3.2Å
69	N	89.3	Confident	87.5	Confident	83 Å²	83	58.9 Å²	58.9	44%	0.444	33%	0.329	S	S	.	.			trans	-61.9	119.6	178.2	179.3	-9.2	0	0	0	110.4	S67 A71 D72 L73	S67-N69 PolarHBondContact O-N 3.29Å; S67-N69 VanDerWaalsContact O-N 3.12Å; N69-A71 PolarHBondContact O-N 2.6Å; N69-A71 VanDerWaalsContact O-N 3.14Å; N69-A71 WeakPolarHBondContact OD1-CB 3.31Å; N69-A71 PolarHBondContact OD1-N 3.15Å; N69-D72 HydrophobicContact CB-CB 4.4Å; N69-D72 PolarHBondContact O-N 3.13Å; N69-L73 WeakPolarHBondContact O-CG 3.23Å; N69-L73 PolarHBondContact O-N 3.09Å; N69-L73 VanDerWaalsContact O-N 3.11Å
70	P	88.1	Confident	87.5	Confident	99 Å²	99	53.6 Å²	53.6	64%	0.643	31%	0.306	S	S	*	.	H	α-helix	trans	-59.6	-28.8	-176.6	23.8	-34.4	0	0	0	113.3	G68 E74	G68-P70 WeakPolarHBondContact O-CD 3.2Å; P70-E74 WeakPolarHBondContact O-CB 3.46Å; P70-E74 PolarHBondContact O-N 2.89Å
71	A	88.6	Confident	87.5	Confident	66 Å²	66	54.3 Å²	54.3	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-70.1	-33.4	177	0	0	0	0	0	113	N69 K75	N69-A71 PolarHBondContact O-N 2.6Å; N69-A71 VanDerWaalsContact O-N 3.14Å; N69-A71 WeakPolarHBondContact OD1-CB 3.31Å; N69-A71 PolarHBondContact OD1-N 3.15Å; A71-K75 VanDerWaalsContact O-CB 3.29Å; A71-K75 WeakPolarHBondContact O-CB 3.44Å; A71-K75 PolarHBondContact O-N 3.31Å; A71-K75 VanDerWaalsContact O-N 3.13Å
72	D	88.3	Confident	87.6	Confident	36 Å²	36	57.2 Å²	57.2	19%	0.193	33%	0.325	C	S	.	.	H	α-helix	trans	-76	-39.9	174.6	-170.8	56.3	0	0	0	111	N69 E74 K75 R76	N69-D72 HydrophobicContact CB-CB 4.4Å; N69-D72 PolarHBondContact O-N 3.13Å; D72-E74 PolarHBondContact O-N 2.92Å; D72-K75 PolarHBondContact O-N 3.42Å; D72-R76 VanDerWaalsContact O-CG 3.3Å; D72-R76 WeakPolarHBondContact O-CG 3.42Å; D72-R76 PolarHBondContact O-N 3.47Å; D72-R76 IonicContact OD1-NE 2.71Å; D72-R76 IonicContact OD2-CZ 2.88Å; D72-R76 IonicContact OD2-NE 3.56Å; D72-R76 PolarHBondContact OD2-NE 2.89Å; D72-R76 IonicContact OD2-NH2 2.73Å; D72-R76 PolarHBondContact OD2-NH2 3.08Å
73	L	89.8	Confident	87.9	Confident	15 Å²	15	56.4 Å²	56.4	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-61.1	-42.6	175.7	-63.2	175.1	0	0	0	111.9	L66 N69 R76 R77 V207	L66-L73 HydrophobicContact CD1-CD2 3.91Å; N69-L73 WeakPolarHBondContact O-CG 3.23Å; N69-L73 PolarHBondContact O-N 3.09Å; N69-L73 VanDerWaalsContact O-N 3.11Å; L73-R76 PolarHBondContact O-N 2.88Å; L73-R77 WeakPolarHBondContact O-CG 3.45Å; L73-R77 PolarHBondContact O-N 3.3Å; L73-R77 VanDerWaalsContact O-N 3.08Å; L73-V207 HydrophobicContact CD2-CG2 3.69Å
74	E	88.4	Confident	88	Confident	72 Å²	72	55.2 Å²	55.2	34%	0.336	31%	0.312	S	S	.	.	H	α-helix	trans	-71.6	-36.4	177.3	-161.6	57.9	-150.4	0	0	112.4	P70 D72 R76 R77 Q78	P70-E74 WeakPolarHBondContact O-CB 3.46Å; P70-E74 PolarHBondContact O-N 2.89Å; D72-E74 PolarHBondContact O-N 2.92Å; E74-R76 VanDerWaalsContact C-N 3.34Å; E74-R76 PolarHBondContact O-N 2.99Å; E74-R77 WeakPolarHBondContact O-CB 3.49Å; E74-R77 PolarHBondContact O-N 3.4Å; E74-R77 WeakPolarHBondContact OE2-CD 3.44Å; E74-R77 IonicContact OE2-CZ 3.69Å; E74-R77 IonicContact OE2-NE 3.67Å; E74-R77 IonicContact OE2-NH1 3.93Å; E74-R77 PolarHBondContact OE2-NH1 3.36Å; E74-Q78 WeakPolarHBondContact O-CG 3.31Å; E74-Q78 PolarHBondContact O-N 3.45Å
75	K	89.1	Confident	87.8	Confident	79 Å²	79	52.6 Å²	52.6	34%	0.343	30%	0.301	S	S	.	.	H	α-helix	trans	-62.3	-39.3	171.5	-171.2	174	-177.2	171.8	0	112.1	D21 F22 A71 D72 Q78 V79	D21-K75 VanDerWaalsContact CG-NZ 3.3Å; D21-K75 IonicContact OD2-NZ 3.98Å; D21-K75 PolarHBondContact OD2-NZ 2.9Å; F22-K75 HydrophobicContact CE2-CG 4.31Å; A71-K75 VanDerWaalsContact O-CB 3.29Å; A71-K75 WeakPolarHBondContact O-CB 3.44Å; A71-K75 PolarHBondContact O-N 3.31Å; A71-K75 VanDerWaalsContact O-N 3.13Å; D72-K75 PolarHBondContact O-N 3.42Å; K75-Q78 PolarHBondContact O-N 3.13Å; K75-V79 WeakPolarHBondContact O-CG2 3.4Å; K75-V79 PolarHBondContact O-N 2.77Å
76	R	91.1	Very high	86.8	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-63.8	-40.2	173.5	-73.1	169.5	-170	-90	-6.3	112.1	F22 L58 K59 L66 D72 L73 E74 V79 F80 V207 V208	F22-R76 HydrophobicContact CE1-CG 4.39Å; F22-R76 HydrophobicContact CE2-CG 4.42Å; F22-R76 HydrophobicContact CZ-CG 3.87Å; L58-R76 PolarHBondContact O-NH1 2.78Å; L58-R76 PolarHBondContact O-NH2 3.43Å; L58-R76 VanDerWaalsContact O-NH2 3.13Å; K59-R76 PolarHBondContact O-NH2 2.98Å; L66-R76 VanDerWaalsContact CD2-CZ 3.47Å; D72-R76 VanDerWaalsContact O-CG 3.3Å; D72-R76 WeakPolarHBondContact O-CG 3.42Å; D72-R76 PolarHBondContact O-N 3.47Å; D72-R76 IonicContact OD1-NE 2.71Å; D72-R76 IonicContact OD2-CZ 2.88Å; D72-R76 IonicContact OD2-NE 3.56Å; D72-R76 PolarHBondContact OD2-NE 2.89Å; D72-R76 IonicContact OD2-NH2 2.73Å; D72-R76 PolarHBondContact OD2-NH2 3.08Å; L73-R76 PolarHBondContact O-N 2.88Å; E74-R76 VanDerWaalsContact C-N 3.34Å; E74-R76 PolarHBondContact O-N 2.99Å; R76-V79 PolarHBondContact O-N 2.99Å; R76-F80 HydrophobicContact CB-CD2 4.37Å; R76-F80 WeakPolarHBondContact O-CB 3.48Å; R76-F80 WeakPolarHBondContact O-CD2 3.29Å; R76-F80 PolarHBondContact O-N 3.29Å; R76-V207 HydrophobicContact CB-CB 4.2Å; R76-V207 HydrophobicContact CB-CG2 4.35Å; R76-V208 WeakPolarHBondContact CD-O 3.32Å; R76-V208 PolarHBondContact NH1-O 2.88Å
77	R	89.7	Confident	85.7	Confident	54 Å²	54	61 Å²	61	20%	0.204	36%	0.355	C	S	.	.	H	α-helix	trans	-62.2	-41.6	174.6	-71.5	161.7	178.9	172.6	-0.9	112.3	L73 E74 V79 G81 V207	L73-R77 WeakPolarHBondContact O-CG 3.45Å; L73-R77 PolarHBondContact O-N 3.3Å; L73-R77 VanDerWaalsContact O-N 3.08Å; E74-R77 WeakPolarHBondContact O-CB 3.49Å; E74-R77 PolarHBondContact O-N 3.4Å; E74-R77 WeakPolarHBondContact OE2-CD 3.44Å; E74-R77 IonicContact OE2-CZ 3.69Å; E74-R77 IonicContact OE2-NE 3.67Å; E74-R77 IonicContact OE2-NH1 3.93Å; E74-R77 PolarHBondContact OE2-NH1 3.36Å; R77-V79 PolarHBondContact O-N 3.42Å; R77-G81 CarbonylContact O-C 3.58Å; R77-G81 WeakPolarHBondContact O-CA 3.3Å; R77-G81 PolarHBondContact O-N 2.73Å; R77-V207 HydrophobicContact CG-CG1 3.83Å
78	Q	88	Confident	84.9	Confident	148 Å²	148	65 Å²	65	69%	0.692	36%	0.363	S	S	*	.	H	α-helix	trans	-67	-32.7	176.6	-69.5	173	12.3	0	0	113.3	E74 K75	E74-Q78 WeakPolarHBondContact O-CG 3.31Å; E74-Q78 PolarHBondContact O-N 3.45Å; K75-Q78 PolarHBondContact O-N 3.13Å
79	V	89.2	Confident	84.5	Confident	68 Å²	68	72.7 Å²	72.7	41%	0.412	39%	0.389	S	S	.	.	H	α-helix	trans	-86.5	-46.4	-179.5	174	0	0	0	0	112.7	F22 V26 K75 R76 R77	F22-V79 HydrophobicContact CD2-CG1 4.41Å; F22-V79 HydrophobicContact CE2-CG2 4.39Å; V26-V79 WeakPolarHBondContact CG2-O 3.48Å; K75-V79 WeakPolarHBondContact O-CG2 3.4Å; K75-V79 PolarHBondContact O-N 2.77Å; R76-V79 PolarHBondContact O-N 2.99Å; R77-V79 PolarHBondContact O-N 3.42Å
80	F	89.4	Confident	83.9	Confident	5 Å²	5	71.1 Å²	71.1	2%	0.022	38%	0.384	C	S	.	.	H	α-helix	trans	-106.9	-8	-170.4	-58.7	-77.1	0	0	0	114.5	F22 V26 L29 L58 R76 V208 N277	F22-F80 HydrophobicContact CB-CE2 4.41Å; F22-F80 HydrophobicContact CB-CZ 4.01Å; F22-F80 AromaticContact CD2-CE2 3.81Å; F22-F80 HydrophobicContact CD2-CE2 3.81Å; F22-F80 HydrophobicContact CD2-CZ 4.18Å; F22-F80 HydrophobicContact CE2-CE2 4.23Å; F22-F80 HydrophobicContact CG-CE2 4.07Å; F22-F80 HydrophobicContact CG-CZ 4.18Å; V26-F80 HydrophobicContact CG2-CD1 3.99Å; L29-F80 HydrophobicContact CD1-CD1 3.97Å; L29-F80 HydrophobicContact CD1-CE1 3.64Å; L58-F80 HydrophobicContact CD2-CZ 4.41Å; R76-F80 HydrophobicContact CB-CD2 4.37Å; R76-F80 WeakPolarHBondContact O-CB 3.48Å; R76-F80 WeakPolarHBondContact O-CD2 3.29Å; R76-F80 PolarHBondContact O-N 3.29Å; F80-V208 HydrophobicContact CB-CB 3.91Å; F80-V208 HydrophobicContact CB-CG2 3.65Å; F80-V208 HydrophobicContact CD1-CB 4.28Å; F80-V208 HydrophobicContact CD1-CG1 4.07Å; F80-V208 HydrophobicContact CD1-CG2 4.4Å; F80-V208 HydrophobicContact CD2-CB 4Å; F80-V208 HydrophobicContact CD2-CG1 4.27Å; F80-V208 HydrophobicContact CE1-CG1 4.31Å; F80-V208 HydrophobicContact CE2-CG1 4.49Å; F80-V208 HydrophobicContact CG-CB 3.81Å; F80-V208 HydrophobicContact CG-CG1 4.07Å; F80-V208 HydrophobicContact CG-CG2 4.02Å; F80-N277 PolarHBondContact O-ND2 2.73Å
81	G	88.9	Confident	83.6	Confident	25 Å²	25	70.6 Å²	70.6	26%	0.258	37%	0.371	S	S	.	.			trans	93.8	173.9	-175.5	0	0	0	0	0	114.1	R77	R77-G81 CarbonylContact O-C 3.58Å; R77-G81 WeakPolarHBondContact O-CA 3.3Å; R77-G81 PolarHBondContact O-N 2.73Å
82	H	89.4	Confident	83.6	Confident	96 Å²	96	70.6 Å²	70.6	44%	0.444	37%	0.365	S	S	.	.			trans	-96.8	151	175.3	-60.6	-105	0	0	0	110.4	V84	H82-V84 PolarHBondContact O-N 3.29Å
83	N	89.9	Confident	83.6	Confident	13 Å²	13	72.3 Å²	72.3	7%	0.07	37%	0.37	C	S	.	.	S	Bend	trans	-79.8	55.3	176.4	-159.4	37.8	0	0	0	113.1	V203 I206 P221 V274 G275	N83-V203 PolarHBondContact ND2-O 3.38Å; N83-I206 WeakPolarHBondContact CB-O 3.47Å; N83-P221 PolarHBondContact ND2-O 2.97Å; N83-P221 PolarHBondContact OD1-O 3.17Å; N83-V274 HydrophobicContact CB-CB 3.84Å; N83-V274 HydrophobicContact CB-CG1 4.15Å; N83-V274 WeakPolarHBondContact OD1-CA 3.43Å; N83-V274 WeakPolarHBondContact OD1-CB 3.29Å; N83-G275 PolarHBondContact OD1-N 3.29Å
84	V	84.5	Confident	83.6	Confident	77 Å²	77	77.8 Å²	77.8	47%	0.467	40%	0.399	S	S	.	.			trans	-136	128.5	179.4	-178.5	0	0	0	0	108.5	H82 A204	H82-V84 PolarHBondContact O-N 3.29Å; V84-A204 HydrophobicContact CG2-CB 3.72Å
85	I	77.4	Confident	83.6	Confident	59 Å²	59	78.8 Å²	78.8	30%	0.303	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-90.3	123.6	167.8	-58.4	169	0	0	0	106.8	P87 L284	I85-P87 WeakPolarHBondContact O-CD 3.25Å; I85-L284 HydrophobicContact CD1-CD2 4.36Å; I85-L284 HydrophobicContact CG2-CD2 3.84Å
86	P	68.3	Low	83.4	Confident	88 Å²	88	75.5 Å²	75.5	57%	0.571	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-67.1	124.9	-174.3	25.8	-33.5	0	0	0	111	V276	P86-V276 VanDerWaalsContact CD-CG1 3.49Å; P86-V276 HydrophobicContact CG-CG1 4.29Å
87	P	69.3	Low	83.2	Confident	101 Å²	101	76.6 Å²	76.6	66%	0.656	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-67.9	156.8	175.1	28.8	-34.8	0	0	0	111	I85 K89	I85-P87 WeakPolarHBondContact O-CD 3.25Å; P87-K89 PolarHBondContact O-N 3.18Å
88	K	65.3	Low	83.2	Confident	151 Å²	151	82.4 Å²	82.4	66%	0.657	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-54.3	135.3	173.3	-174.1	159.5	-172.2	159	0	109.2	D292	K88-D292 WeakPolarHBondContact CE-OD2 3.41Å; K88-D292 IonicContact NZ-OD1 2.65Å; K88-D292 IonicContact NZ-OD2 2.83Å; K88-D292 PolarHBondContact NZ-OD2 3.1Å
89	K	73.4	Confident	82.9	Confident	190 Å²	190	79.9 Å²	79.9	83%	0.826	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-55.2	134.1	-177.3	-66.5	172.7	-174.9	164.8	0	109.4	P87	P87-K89 PolarHBondContact O-N 3.18Å
90	P	75.4	Confident	82.4	Confident	51 Å²	51	77.7 Å²	77.7	33%	0.331	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-65.5	151.4	176	31	-37	0	0	0	110.1	E174	P90-E174 WeakPolarHBondContact CA-OE1 3.11Å; P90-E174 WeakPolarHBondContact CB-OE1 3.31Å
91	K	81.3	Confident	82.1	Confident	87 Å²	87	79.7 Å²	79.7	38%	0.378	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-65.5	141.6	177.8	-74.5	-178.7	172.2	176.6	0	110.3	E95 L96 E99 E174	K91-E95 VanDerWaalsContact CA-OE2 3.29Å; K91-E95 WeakPolarHBondContact CA-OE2 3.44Å; K91-E95 HydrophobicContact CB-CB 4.43Å; K91-L96 HydrophobicContact CB-CD2 4.12Å; K91-L96 HydrophobicContact CB-CG 4.06Å; K91-L96 HydrophobicContact CD-CD2 3.75Å; K91-L96 HydrophobicContact CD-CG 4.49Å; K91-E99 IonicContact NZ-OE1 2.93Å; K91-E99 PolarHBondContact NZ-OE1 2.94Å; K91-E99 IonicContact NZ-OE2 2.74Å; K91-E99 PolarHBondContact NZ-OE2 2.67Å; K91-E174 PolarHBondContact N-OE1 2.75Å
92	T	89.3	Confident	81.7	Confident	67 Å²	67	83.9 Å²	83.9	41%	0.411	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-74.8	157.2	170.6	71.3	0	0	0	0	110.6	L94 E95 L96	T92-L94 PolarHBondContact O-N 3.23Å; T92-E95 VanDerWaalsContact CB-OE1 3.29Å; T92-E95 WeakPolarHBondContact CB-OE1 3.46Å; T92-E95 WeakPolarHBondContact CG2-OE1 3.28Å; T92-E95 PolarHBondContact N-OE2 2.96Å; T92-E95 WeakPolarHBondContact O-CB 3.4Å; T92-E95 PolarHBondContact O-N 2.83Å; T92-E95 VanDerWaalsContact O-N 3.13Å; T92-E95 WeakPolarHBondContact OG1-CG 3.41Å; T92-E95 PolarHBondContact OG1-N 3.2Å; T92-E95 PolarHBondContact OG1-OE1 3.37Å; T92-L96 PolarHBondContact O-N 2.89Å; T92-L96 VanDerWaalsContact O-N 3.09Å
93	F	88.5	Confident	81.1	Confident	72 Å²	72	82.7 Å²	82.7	32%	0.316	42%	0.416	S	S	.	.	H	α-helix	trans	-58.7	-31.8	175.4	178.6	-100.2	0	0	0	112.2	L96 V97 L164 A167 F168 W171	F93-L96 PolarHBondContact O-N 3.33Å; F93-V97 HydrophobicContact CD1-CG2 4.25Å; F93-V97 HydrophobicContact CE1-CG2 3.79Å; F93-V97 HydrophobicContact CE2-CG2 4.49Å; F93-V97 HydrophobicContact CZ-CG2 3.92Å; F93-V97 WeakPolarHBondContact O-CG2 3.32Å; F93-V97 PolarHBondContact O-N 2.95Å; F93-L164 HydrophobicContact CE1-CD2 4.17Å; F93-L164 HydrophobicContact CZ-CD2 4.1Å; F93-A167 HydrophobicContact CE2-CB 4.05Å; F93-A167 HydrophobicContact CZ-CB 4.41Å; F93-F168 HydrophobicContact CE2-CB 4.24Å; F93-W171 HydrophobicContact CD2-CB 4.16Å; F93-W171 HydrophobicContact CD2-CG 4.33Å
94	L	89.4	Confident	80.2	Confident	130 Å²	130	86.4 Å²	86.4	68%	0.681	44%	0.439	S	S	*	.	H	α-helix	trans	-72.7	-35.1	176.7	-65.2	176.3	0	0	0	112.6	T92 V97 W98	T92-L94 PolarHBondContact O-N 3.23Å; L94-V97 PolarHBondContact O-N 2.98Å; L94-W98 WeakPolarHBondContact O-CB 3.48Å; L94-W98 PolarHBondContact O-N 3.04Å
95	E	88.3	Confident	79.5	Confident	92 Å²	92	83.6 Å²	83.6	43%	0.43	42%	0.422	S	S	.	.	H	α-helix	trans	-63.5	-40.9	170.6	-74.5	141.4	-128.1	0	0	111.7	K91 T92 W98 E99	K91-E95 VanDerWaalsContact CA-OE2 3.29Å; K91-E95 WeakPolarHBondContact CA-OE2 3.44Å; K91-E95 HydrophobicContact CB-CB 4.43Å; T92-E95 VanDerWaalsContact CB-OE1 3.29Å; T92-E95 WeakPolarHBondContact CB-OE1 3.46Å; T92-E95 WeakPolarHBondContact CG2-OE1 3.28Å; T92-E95 PolarHBondContact N-OE2 2.96Å; T92-E95 WeakPolarHBondContact O-CB 3.4Å; T92-E95 PolarHBondContact O-N 2.83Å; T92-E95 VanDerWaalsContact O-N 3.13Å; T92-E95 WeakPolarHBondContact OG1-CG 3.41Å; T92-E95 PolarHBondContact OG1-N 3.2Å; T92-E95 PolarHBondContact OG1-OE1 3.37Å; E95-W98 PolarHBondContact O-N 3.44Å; E95-E99 WeakPolarHBondContact O-CB 3.42Å; E95-E99 PolarHBondContact O-N 3.06Å
96	L	84.8	Confident	79.3	Confident	11 Å²	11	81.3 Å²	81.3	6%	0.058	41%	0.411	C	S	.	.	H	α-helix	trans	-67.4	-37.2	177	-66.7	170.9	0	0	0	112.3	K91 T92 F93 E99 A100 A167 W171	K91-L96 HydrophobicContact CB-CD2 4.12Å; K91-L96 HydrophobicContact CB-CG 4.06Å; K91-L96 HydrophobicContact CD-CD2 3.75Å; K91-L96 HydrophobicContact CD-CG 4.49Å; T92-L96 PolarHBondContact O-N 2.89Å; T92-L96 VanDerWaalsContact O-N 3.09Å; F93-L96 PolarHBondContact O-N 3.33Å; L96-E99 PolarHBondContact O-N 3.23Å; L96-A100 WeakPolarHBondContact O-CB 3.22Å; L96-A100 PolarHBondContact O-N 2.85Å; L96-A167 HydrophobicContact CB-CB 4.22Å; L96-W171 HydrophobicContact CD1-CB 3.81Å
97	V	88.1	Confident	79.9	Confident	24 Å²	24	80.2 Å²	80.2	15%	0.145	40%	0.399	C	S	.	.	H	α-helix	trans	-63.1	-43.2	170.1	166.1	0	0	0	0	111.1	F93 L94 E99 A100 L101 V163 L164 A167	F93-V97 HydrophobicContact CD1-CG2 4.25Å; F93-V97 HydrophobicContact CE1-CG2 3.79Å; F93-V97 HydrophobicContact CE2-CG2 4.49Å; F93-V97 HydrophobicContact CZ-CG2 3.92Å; F93-V97 WeakPolarHBondContact O-CG2 3.32Å; F93-V97 PolarHBondContact O-N 2.95Å; L94-V97 PolarHBondContact O-N 2.98Å; V97-E99 VanDerWaalsContact C-N 3.35Å; V97-A100 PolarHBondContact O-N 3.42Å; V97-L101 HydrophobicContact CG1-CD1 4.11Å; V97-L101 WeakPolarHBondContact O-CG 3.33Å; V97-L101 PolarHBondContact O-N 3.09Å; V97-V163 HydrophobicContact CG1-CG1 3.95Å; V97-L164 HydrophobicContact CG2-CD2 4.11Å; V97-A167 HydrophobicContact CB-CB 4.35Å; V97-A167 HydrophobicContact CG2-CB 3.51Å
98	W	89.9	Confident	80.1	Confident	176 Å²	176	78.3 Å²	78.3	67%	0.667	38%	0.383	S	S	*	.	H	α-helix	trans	-69.8	-29.3	178.7	-176.1	-106.1	0	0	0	113.6	L94 E95 L101 Q102	L94-W98 WeakPolarHBondContact O-CB 3.48Å; L94-W98 PolarHBondContact O-N 3.04Å; E95-W98 PolarHBondContact O-N 3.44Å; W98-L101 HydrophobicContact CE3-CD1 4.48Å; W98-Q102 WeakPolarHBondContact O-CG 3.2Å; W98-Q102 PolarHBondContact O-NE2 2.79Å
99	E	81.4	Confident	80.5	Confident	94 Å²	94	71.3 Å²	71.3	44%	0.439	35%	0.353	S	S	.	.	H	α-helix	trans	-75	-40.1	173.4	-173.2	169.8	-143.1	0	0	111.4	K91 E95 L96 V97 L101 Q102	K91-E99 IonicContact NZ-OE1 2.93Å; K91-E99 PolarHBondContact NZ-OE1 2.94Å; K91-E99 IonicContact NZ-OE2 2.74Å; K91-E99 PolarHBondContact NZ-OE2 2.67Å; E95-E99 WeakPolarHBondContact O-CB 3.42Å; E95-E99 PolarHBondContact O-N 3.06Å; L96-E99 PolarHBondContact O-N 3.23Å; V97-E99 VanDerWaalsContact C-N 3.35Å; E99-L101 VanDerWaalsContact C-N 3.32Å; E99-L101 PolarHBondContact O-N 2.74Å; E99-Q102 WeakPolarHBondContact O-CB 3.33Å; E99-Q102 PolarHBondContact O-N 2.84Å; E99-Q102 VanDerWaalsContact O-N 3.1Å
100	A	78.9	Confident	80.9	Confident	22 Å²	22	64.6 Å²	64.6	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-33.8	172.9	0	0	0	0	0	112.8	L96 V97 Q102 V163	L96-A100 WeakPolarHBondContact O-CB 3.22Å; L96-A100 PolarHBondContact O-N 2.85Å; V97-A100 PolarHBondContact O-N 3.42Å; A100-Q102 PolarHBondContact O-N 2.89Å; A100-V163 HydrophobicContact CB-CG1 4.17Å
101	L	83.1	Confident	81.2	Confident	47 Å²	47	66.6 Å²	66.6	25%	0.246	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-7.2	172.7	-74.6	166.3	0	0	0	114.4	V97 W98 E99 I107 E110 V163	V97-L101 HydrophobicContact CG1-CD1 4.11Å; V97-L101 WeakPolarHBondContact O-CG 3.33Å; V97-L101 PolarHBondContact O-N 3.09Å; W98-L101 HydrophobicContact CE3-CD1 4.48Å; E99-L101 VanDerWaalsContact C-N 3.32Å; E99-L101 PolarHBondContact O-N 2.74Å; L101-I107 WeakPolarHBondContact O-CG1 3.5Å; L101-E110 WeakPolarHBondContact CD2-OE1 3.44Å; L101-V163 HydrophobicContact CD2-CG1 4.17Å; L101-V163 HydrophobicContact CD2-CG2 3.87Å; L101-V163 HydrophobicContact CG-CG1 3.9Å; L101-V163 HydrophobicContact CG-CG2 4.31Å
102	Q	80.6	Confident	80.7	Confident	114 Å²	114	62.6 Å²	62.6	53%	0.533	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1.6	178.2	-76.7	170.4	58.5	0	0	114.1	W98 E99 A100 V104	W98-Q102 WeakPolarHBondContact O-CG 3.2Å; W98-Q102 PolarHBondContact O-NE2 2.79Å; E99-Q102 WeakPolarHBondContact O-CB 3.33Å; E99-Q102 PolarHBondContact O-N 2.84Å; E99-Q102 VanDerWaalsContact O-N 3.1Å; A100-Q102 PolarHBondContact O-N 2.89Å; Q102-V104 PolarHBondContact O-N 2.82Å
103	D	75.2	Confident	80.2	Confident	70 Å²	70	59.4 Å²	59.4	37%	0.374	30%	0.295	S	S	.	.			trans	-67.7	132.9	172.5	-153.1	-53.8	0	0	0	111.3	T105 L106 I107	D103-T105 PolarHBondContact O-N 3.48Å; D103-T105 PolarHBondContact OD1-N 2.87Å; D103-T105 PolarHBondContact OD1-OG1 2.93Å; D103-T105 VanDerWaalsContact OD1-OG1 3.12Å; D103-L106 HydrophobicContact CB-CD1 4.39Å; D103-L106 HydrophobicContact CB-CG 4.31Å; D103-L106 PolarHBondContact O-N 2.77Å; D103-I107 WeakPolarHBondContact O-CB 3.09Å; D103-I107 VanDerWaalsContact O-CG1 3.27Å; D103-I107 WeakPolarHBondContact O-CG1 3.39Å; D103-I107 PolarHBondContact O-N 2.94Å
104	V	72.4	Confident	79.9	Confident	91 Å²	91	60 Å²	60	55%	0.552	30%	0.3	S	S	*	.	H	α-helix	trans	-65.6	-29.5	179.7	-176.7	0	0	0	0	111	Q102 I108	Q102-V104 PolarHBondContact O-N 2.82Å; V104-I108 HydrophobicContact CG1-CD1 3.87Å; V104-I108 HydrophobicContact CG1-CG1 4.46Å; V104-I108 WeakPolarHBondContact O-CB 3.48Å; V104-I108 WeakPolarHBondContact O-CD1 3.39Å; V104-I108 WeakPolarHBondContact O-CG1 3.32Å; V104-I108 PolarHBondContact O-N 2.76Å; V104-I108 VanDerWaalsContact O-N 3.11Å
105	T	69.4	Low	79.3	Confident	19 Å²	19	57.5 Å²	57.5	12%	0.117	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-50.9	175	59.8	0	0	0	0	110.9	D103 I108 L109 E423	D103-T105 PolarHBondContact O-N 3.48Å; D103-T105 PolarHBondContact OD1-N 2.87Å; D103-T105 PolarHBondContact OD1-OG1 2.93Å; D103-T105 VanDerWaalsContact OD1-OG1 3.12Å; T105-I108 PolarHBondContact O-N 2.61Å; T105-L109 PolarHBondContact O-N 2.92Å; T105-L109 VanDerWaalsContact O-N 3.07Å; T105-E423 PolarHBondContact OG1-OE1 3.5Å
106	L	74.1	Confident	78.5	Confident	11 Å²	11	54 Å²	54	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-66.9	-43.3	-179.6	-61.1	-179.3	0	0	0	111.5	D103 I108 L109 E110 V159 V163	D103-L106 HydrophobicContact CB-CD1 4.39Å; D103-L106 HydrophobicContact CB-CG 4.31Å; D103-L106 PolarHBondContact O-N 2.77Å; L106-I108 VanDerWaalsContact C-N 3.32Å; L106-I108 PolarHBondContact O-N 3.32Å; L106-L109 CarbonylContact O-C 3.58Å; L106-L109 WeakPolarHBondContact O-CB 3.37Å; L106-L109 PolarHBondContact O-N 3.07Å; L106-L109 VanDerWaalsContact O-N 3.1Å; L106-E110 WeakPolarHBondContact O-CG 3.2Å; L106-E110 PolarHBondContact O-N 3.34Å; L106-V159 HydrophobicContact CD2-CG1 4.45Å; L106-V163 HydrophobicContact CD1-CG2 3.93Å
107	I	79.8	Confident	78.2	Confident	65 Å²	65	55.3 Å²	55.3	33%	0.333	28%	0.279	S	S	.	.	H	α-helix	trans	-58.7	-42.5	175.3	-70.1	165.5	0	0	0	111.6	L101 D103 L109 E110 I111	L101-I107 WeakPolarHBondContact O-CG1 3.5Å; D103-I107 WeakPolarHBondContact O-CB 3.09Å; D103-I107 VanDerWaalsContact O-CG1 3.27Å; D103-I107 WeakPolarHBondContact O-CG1 3.39Å; D103-I107 PolarHBondContact O-N 2.94Å; I107-L109 VanDerWaalsContact C-N 3.32Å; I107-L109 PolarHBondContact O-N 3.06Å; I107-E110 PolarHBondContact O-N 3.1Å; I107-I111 HydrophobicContact CG2-CD1 3.82Å; I107-I111 WeakPolarHBondContact O-CB 3.46Å; I107-I111 WeakPolarHBondContact O-CD1 3.38Å; I107-I111 VanDerWaalsContact O-CG1 3.24Å; I107-I111 WeakPolarHBondContact O-CG1 3.36Å; I107-I111 PolarHBondContact O-N 2.82Å
108	I	73.9	Confident	77.7	Confident	61 Å²	61	58.5 Å²	58.5	31%	0.313	30%	0.299	S	S	.	.	H	α-helix	trans	-64.9	-39.1	176.7	-72	168.6	0	0	0	110.9	V104 T105 L106 A112 F410 V414	V104-I108 HydrophobicContact CG1-CD1 3.87Å; V104-I108 HydrophobicContact CG1-CG1 4.46Å; V104-I108 WeakPolarHBondContact O-CB 3.48Å; V104-I108 WeakPolarHBondContact O-CD1 3.39Å; V104-I108 WeakPolarHBondContact O-CG1 3.32Å; V104-I108 PolarHBondContact O-N 2.76Å; V104-I108 VanDerWaalsContact O-N 3.11Å; T105-I108 PolarHBondContact O-N 2.61Å; L106-I108 VanDerWaalsContact C-N 3.32Å; L106-I108 PolarHBondContact O-N 3.32Å; I108-A112 WeakPolarHBondContact O-CB 3.33Å; I108-A112 PolarHBondContact O-N 2.85Å; I108-F410 HydrophobicContact CG2-CZ 4.49Å; I108-V414 HydrophobicContact CG2-CG1 4.05Å; I108-V414 HydrophobicContact CG2-CG2 3.73Å
109	L	73.1	Confident	76.6	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-68.7	-41.6	177.8	-177.4	61.8	0	0	0	112.5	T105 L106 I107 A112 A113 I155 V159 V414 L876	T105-L109 PolarHBondContact O-N 2.92Å; T105-L109 VanDerWaalsContact O-N 3.07Å; L106-L109 CarbonylContact O-C 3.58Å; L106-L109 WeakPolarHBondContact O-CB 3.37Å; L106-L109 PolarHBondContact O-N 3.07Å; L106-L109 VanDerWaalsContact O-N 3.1Å; I107-L109 VanDerWaalsContact C-N 3.32Å; I107-L109 PolarHBondContact O-N 3.06Å; L109-A112 PolarHBondContact O-N 3.08Å; L109-A113 WeakPolarHBondContact O-CB 3.35Å; L109-A113 PolarHBondContact O-N 3.12Å; L109-I155 HydrophobicContact CD1-CG2 3.75Å; L109-I155 HydrophobicContact CD2-CG2 4.24Å; L109-I155 HydrophobicContact CG-CG2 3.78Å; L109-V159 HydrophobicContact CD2-CG2 3.69Å; L109-V159 HydrophobicContact CG-CG2 4.18Å; L109-V414 HydrophobicContact CB-CG1 4.13Å; L109-V414 HydrophobicContact CD1-CG1 4.03Å; L109-L876 HydrophobicContact CD2-CD1 4.15Å; L109-L876 HydrophobicContact CD2-CD2 3.86Å
110	E	81.9	Confident	75.9	Confident	50 Å²	50	48.9 Å²	48.9	23%	0.234	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-46.3	173.2	-73.4	-171.5	169.2	0	0	111.5	L101 L106 I107 A112 A113 I114 L156 V159	L101-E110 WeakPolarHBondContact CD2-OE1 3.44Å; L106-E110 WeakPolarHBondContact O-CG 3.2Å; L106-E110 PolarHBondContact O-N 3.34Å; I107-E110 PolarHBondContact O-N 3.1Å; E110-A112 VanDerWaalsContact C-N 3.33Å; E110-A112 PolarHBondContact O-N 2.74Å; E110-A113 PolarHBondContact O-N 3.28Å; E110-I114 WeakPolarHBondContact O-CB 3.17Å; E110-I114 VanDerWaalsContact O-CG1 3.26Å; E110-I114 WeakPolarHBondContact O-CG1 2.94Å; E110-I114 PolarHBondContact O-N 2.8Å; E110-L156 HydrophobicContact CB-CD2 4.24Å; E110-L156 HydrophobicContact CG-CD2 4.19Å; E110-V159 HydrophobicContact CG-CG1 4.05Å
111	I	81.5	Confident	75.5	Confident	92 Å²	92	54.6 Å²	54.6	47%	0.472	29%	0.286	S	S	.	.	H	α-helix	trans	-60.4	-43.8	176.4	-69.8	166.9	0	0	0	110.6	I107 I114 I115	I107-I111 HydrophobicContact CG2-CD1 3.82Å; I107-I111 WeakPolarHBondContact O-CB 3.46Å; I107-I111 WeakPolarHBondContact O-CD1 3.38Å; I107-I111 VanDerWaalsContact O-CG1 3.24Å; I107-I111 WeakPolarHBondContact O-CG1 3.36Å; I107-I111 PolarHBondContact O-N 2.82Å; I111-I114 PolarHBondContact O-N 3.2Å; I111-I115 HydrophobicContact CG2-CD1 3.81Å; I111-I115 WeakPolarHBondContact O-CB 3.47Å; I111-I115 VanDerWaalsContact O-CG1 3.26Å; I111-I115 WeakPolarHBondContact O-CG1 3.27Å; I111-I115 PolarHBondContact O-N 3.12Å
112	A	70.9	Confident	74.7	Confident	3 Å²	3	59.6 Å²	59.6	3%	0.025	30%	0.303	C	S	.	.	H	α-helix	trans	-64.9	-39.5	177.3	0	0	0	0	0	112.4	I108 L109 E110 I115 S116 F410 I411	I108-A112 WeakPolarHBondContact O-CB 3.33Å; I108-A112 PolarHBondContact O-N 2.85Å; L109-A112 PolarHBondContact O-N 3.08Å; E110-A112 VanDerWaalsContact C-N 3.33Å; E110-A112 PolarHBondContact O-N 2.74Å; A112-I115 PolarHBondContact O-N 3.06Å; A112-S116 WeakPolarHBondContact O-CB 3.4Å; A112-S116 PolarHBondContact O-N 3.14Å; A112-F410 HydrophobicContact CB-CD1 4.39Å; A112-F410 HydrophobicContact CB-CE1 4.32Å; A112-I411 HydrophobicContact CB-CG1 4.06Å
113	A	78.4	Confident	73.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67.5	-41	176.6	0	0	0	0	0	112.3	L109 E110 S116 L117 I155 L156	L109-A113 WeakPolarHBondContact O-CB 3.35Å; L109-A113 PolarHBondContact O-N 3.12Å; E110-A113 PolarHBondContact O-N 3.28Å; A113-S116 PolarHBondContact O-N 3.37Å; A113-L117 VanDerWaalsContact O-CB 3.28Å; A113-L117 WeakPolarHBondContact O-CB 3.15Å; A113-L117 PolarHBondContact O-N 3.16Å; A113-I155 HydrophobicContact CB-CB 3.93Å; A113-I155 HydrophobicContact CB-CG2 3.68Å; A113-L156 HydrophobicContact CB-CD2 3.97Å; A113-L156 HydrophobicContact CB-CG 3.84Å
114	I	83.3	Confident	72.5	Confident	85 Å²	85	60.2 Å²	60.2	44%	0.436	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-43.2	173.4	-69.3	163.7	0	0	0	110.7	E110 I111 L117 V118 L156	E110-I114 WeakPolarHBondContact O-CB 3.17Å; E110-I114 VanDerWaalsContact O-CG1 3.26Å; E110-I114 WeakPolarHBondContact O-CG1 2.94Å; E110-I114 PolarHBondContact O-N 2.8Å; I111-I114 PolarHBondContact O-N 3.2Å; I114-L117 PolarHBondContact O-N 2.86Å; I114-V118 HydrophobicContact CG2-CG2 4.37Å; I114-V118 WeakPolarHBondContact O-CB 3.23Å; I114-V118 VanDerWaalsContact O-CG2 3.29Å; I114-V118 WeakPolarHBondContact O-CG2 3.48Å; I114-V118 PolarHBondContact O-N 3.05Å; I114-L156 HydrophobicContact CG1-CD1 4.23Å; I114-L156 HydrophobicContact CG1-CD2 4.25Å
115	I	76.8	Confident	71	Confident	77 Å²	77	61.5 Å²	61.5	40%	0.395	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-44.3	176.2	-70.9	166.2	0	0	0	110.8	I111 A112 L117 V118 L119 V407	I111-I115 HydrophobicContact CG2-CD1 3.81Å; I111-I115 WeakPolarHBondContact O-CB 3.47Å; I111-I115 VanDerWaalsContact O-CG1 3.26Å; I111-I115 WeakPolarHBondContact O-CG1 3.27Å; I111-I115 PolarHBondContact O-N 3.12Å; A112-I115 PolarHBondContact O-N 3.06Å; I115-L117 PolarHBondContact O-N 3.23Å; I115-V118 PolarHBondContact O-N 2.99Å; I115-L119 HydrophobicContact CG2-CD1 3.88Å; I115-L119 HydrophobicContact CG2-CG 4.49Å; I115-L119 WeakPolarHBondContact O-CB 3.46Å; I115-L119 WeakPolarHBondContact O-CG 3.2Å; I115-L119 PolarHBondContact O-N 2.89Å; I115-V407 HydrophobicContact CG2-CG1 4.15Å; I115-V407 HydrophobicContact CG2-CG2 4.06Å
116	S	72	Confident	70	Confident	18 Å²	18	62.9 Å²	62.9	13%	0.126	34%	0.341	C	S	.	.	H	α-helix	trans	-58.7	-47.5	175.1	-165.4	0	0	0	0	111.9	A112 A113 L119 S120	A112-S116 WeakPolarHBondContact O-CB 3.4Å; A112-S116 PolarHBondContact O-N 3.14Å; A113-S116 PolarHBondContact O-N 3.37Å; S116-L119 PolarHBondContact O-N 3.45Å; S116-S120 PolarHBondContact O-N 3.04Å
117	L	78.3	Confident	68.6	Low	39 Å²	39	69.3 Å²	69.3	20%	0.204	37%	0.37	C	S	.	.	H	α-helix	trans	-61.5	-46.7	178.7	-176.2	63.2	0	0	0	111.6	A113 I114 I115 L119 S120 F121 W149 L156	A113-L117 VanDerWaalsContact O-CB 3.28Å; A113-L117 WeakPolarHBondContact O-CB 3.15Å; A113-L117 PolarHBondContact O-N 3.16Å; I114-L117 PolarHBondContact O-N 2.86Å; I115-L117 PolarHBondContact O-N 3.23Å; L117-L119 PolarHBondContact O-N 3.16Å; L117-S120 PolarHBondContact O-N 2.89Å; L117-S120 PolarHBondContact O-OG 2.9Å; L117-F121 HydrophobicContact CD1-CD2 4.46Å; L117-F121 HydrophobicContact CD1-CE2 3.61Å; L117-F121 HydrophobicContact CD1-CZ 4.14Å; L117-F121 HydrophobicContact CG-CD2 4.45Å; L117-F121 HydrophobicContact CG-CE2 3.87Å; L117-F121 WeakPolarHBondContact O-CD2 3.47Å; L117-F121 PolarHBondContact O-N 3.2Å; L117-W149 HydrophobicContact CD1-CB 3.79Å; L117-L156 HydrophobicContact CD2-CD1 4.28Å
118	V	76.3	Confident	66.8	Low	91 Å²	91	75.2 Å²	75.2	55%	0.552	40%	0.396	S	S	*	.	H	α-helix	trans	-62.9	-41.5	177.4	168.8	0	0	0	0	111.6	I114 I115 S120 F121 Y122	I114-V118 HydrophobicContact CG2-CG2 4.37Å; I114-V118 WeakPolarHBondContact O-CB 3.23Å; I114-V118 VanDerWaalsContact O-CG2 3.29Å; I114-V118 WeakPolarHBondContact O-CG2 3.48Å; I114-V118 PolarHBondContact O-N 3.05Å; I115-V118 PolarHBondContact O-N 2.99Å; V118-S120 VanDerWaalsContact C-N 3.34Å; V118-F121 PolarHBondContact O-N 2.73Å; V118-Y122 PolarHBondContact O-N 2.98Å
119	L	66.8	Low	65.5	Low	43 Å²	43	76.8 Å²	76.8	23%	0.225	41%	0.405	C	S	.	.	H	α-helix	trans	-67.4	-32.5	175.8	-71.4	171.3	0	0	0	112.5	I115 S116 L117 F121 Y122 I403 V407	I115-L119 HydrophobicContact CG2-CD1 3.88Å; I115-L119 HydrophobicContact CG2-CG 4.49Å; I115-L119 WeakPolarHBondContact O-CB 3.46Å; I115-L119 WeakPolarHBondContact O-CG 3.2Å; I115-L119 PolarHBondContact O-N 2.89Å; S116-L119 PolarHBondContact O-N 3.45Å; L117-L119 PolarHBondContact O-N 3.16Å; L119-F121 PolarHBondContact O-N 2.72Å; L119-Y122 PolarHBondContact O-N 2.89Å; L119-Y122 VanDerWaalsContact O-N 3.11Å; L119-I403 HydrophobicContact CD1-CG2 4.33Å; L119-V407 HydrophobicContact CD1-CB 4.22Å; L119-V407 HydrophobicContact CD1-CG1 4.29Å; L119-V407 HydrophobicContact CD1-CG2 3.75Å
120	S	66.9	Low	64.4	Low	26 Å²	26	85.2 Å²	85.2	18%	0.182	45%	0.445	C	S	.	.	H	α-helix	trans	-64	-22.9	175.1	79.6	0	0	0	0	113.7	S116 L117 V118 W149	S116-S120 PolarHBondContact O-N 3.04Å; L117-S120 PolarHBondContact O-N 2.89Å; L117-S120 PolarHBondContact O-OG 2.9Å; V118-S120 VanDerWaalsContact C-N 3.34Å; S120-W149 WeakPolarHBondContact OG-CA 3.41Å
121	F	71.2	Confident	62.9	Low	141 Å²	141	89 Å²	89	62%	0.618	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-7.9	174.6	-65	-58.9	0	0	0	114	L117 V118 L119 R123 W149	L117-F121 HydrophobicContact CD1-CD2 4.46Å; L117-F121 HydrophobicContact CD1-CE2 3.61Å; L117-F121 HydrophobicContact CD1-CZ 4.14Å; L117-F121 HydrophobicContact CG-CD2 4.45Å; L117-F121 HydrophobicContact CG-CE2 3.87Å; L117-F121 WeakPolarHBondContact O-CD2 3.47Å; L117-F121 PolarHBondContact O-N 3.2Å; V118-F121 PolarHBondContact O-N 2.73Å; L119-F121 PolarHBondContact O-N 2.72Å; F121-R123 PolarHBondContact O-N 2.94Å; F121-W149 HydrophobicContact CE1-CB 4.16Å; F121-W149 HydrophobicContact CE2-CB 4.46Å; F121-W149 HydrophobicContact CZ-CB 3.85Å; F121-W149 HydrophobicContact CZ-CG 4.35Å
122	Y	66.2	Low	61.6	Low	153 Å²	153	85.7 Å²	85.7	60%	0.6	45%	0.451	S	S	*	.			trans	-97.8	88.3	-177.1	-170.6	-97	0	0	0	111.8	V118 L119	V118-Y122 PolarHBondContact O-N 2.98Å; L119-Y122 PolarHBondContact O-N 2.89Å; L119-Y122 VanDerWaalsContact O-N 3.11Å
123	R	56.4	Low	60.5	Low	141 Å²	141	86.5 Å²	86.5	53%	0.532	46%	0.46	S	S	.	.			trans	-89.1	121.3	171.8	-63.4	-172.8	-176.4	-153.7	15.8	111.2	F121 E127 A145	F121-R123 PolarHBondContact O-N 2.94Å; R123-E127 WeakPolarHBondContact CD-OE1 3.44Å; R123-E127 IonicContact CZ-OE1 2.94Å; R123-E127 IonicContact NE-OE1 3.93Å; R123-E127 IonicContact NH1-OE1 3.84Å; R123-E127 PolarHBondContact NH1-OE1 2.68Å; R123-E127 IonicContact NH1-OE2 3.19Å; R123-E127 PolarHBondContact NH1-OE2 3.3Å; R123-A145 VanDerWaalsContact NH2-CB 3.32Å
124	P	52.3	Low	58.8	Low	55 Å²	55	95.6 Å²	95.6	36%	0.357	50%	0.502	S	S	.	.			trans	-72	147.5	164.2	32	-33.9	0	0	0	110.2	G126 P400	P124-G126 PolarHBondContact O-N 3Å; P124-P400 HydrophobicContact CB-CG 4.43Å; P124-P400 HydrophobicContact CG-CB 4.42Å; P124-P400 HydrophobicContact CG-CG 4.19Å
125	A	41.5	Very low	56.8	Low	119 Å²	119	97.1 Å²	97.1	98%	0.983	52%	0.515	S	S	*	.	S	Bend	trans	-77.4	90.5	177.8	0	0	0	0	0	110.8
126	G	48.9	Very low	54.8	Low	48 Å²	48	96.6 Å²	96.6	50%	0.495	52%	0.522	S	S	.	.			trans	179	35.5	-177.7	0	0	0	0	0	115.3	P124 E128	P124-G126 PolarHBondContact O-N 3Å; G126-E128 PolarHBondContact O-N 3.48Å; G126-E128 VanDerWaalsContact O-N 3.14Å
127	E	44.1	Very low	52.8	Low	145 Å²	145	100.7 Å²	100.7	68%	0.678	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-2.2	-173.4	-67.7	-179.6	140.9	0	0	114.8	R123	R123-E127 WeakPolarHBondContact CD-OE1 3.44Å; R123-E127 IonicContact CZ-OE1 2.94Å; R123-E127 IonicContact NE-OE1 3.93Å; R123-E127 IonicContact NH1-OE1 3.84Å; R123-E127 PolarHBondContact NH1-OE1 2.68Å; R123-E127 IonicContact NH1-OE2 3.19Å; R123-E127 PolarHBondContact NH1-OE2 3.3Å
128	E	42.4	Very low	50.5	Low	189 Å²	189	103.1 Å²	103.1	88%	0.883	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	-2.2	-174.4	-62.5	-172.8	151.2	0	0	115.6	G126 E130	G126-E128 PolarHBondContact O-N 3.48Å; G126-E128 VanDerWaalsContact O-N 3.14Å; E128-E130 PolarHBondContact O-N 2.9Å
129	N	46.5	Very low	48.5	Very low	94 Å²	94	105.2 Å²	105.2	50%	0.503	58%	0.583	S	S	.	*			trans	-90	100	-175.6	-88.9	-18	0	0	0	113.3	L131 C132 E397	N129-L131 PolarHBondContact O-N 2.7Å; N129-C132 PolarHBondContact O-N 2.85Å; N129-E397 PolarHBondContact ND2-OE2 2.89Å
130	E	49.9	Very low	46.8	Very low	181 Å²	181	111.3 Å²	111.3	85%	0.846	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-51.8	-24	176.3	-65	-171.3	126.7	0	0	114.4	E128 C132 G133	E128-E130 PolarHBondContact O-N 2.9Å; E130-C132 VanDerWaalsContact C-N 3.31Å; E130-C132 PolarHBondContact O-N 3.3Å; E130-G133 PolarHBondContact O-N 2.93Å; E130-G133 VanDerWaalsContact O-N 3.11Å
131	L	50.7	Low	45.6	Very low	128 Å²	128	112.6 Å²	112.6	67%	0.67	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-64.7	-23.7	-178.1	-105.5	73.6	0	0	0	115.1	N129 G133 L395	N129-L131 PolarHBondContact O-N 2.7Å; L131-G133 PolarHBondContact O-N 3.09Å; L131-L395 HydrophobicContact CB-CD1 4.37Å; L131-L395 HydrophobicContact CD2-CD1 4.3Å
132	C	53.7	Low	44.1	Very low	23 Å²	23	114.3 Å²	114.3	16%	0.155	63%	0.625	C	S	.	*	G	3₁₀ helix	trans	-72.5	-9.3	174.9	-69	0	0	0	0	112.8	N129 E130 C398 I401	N129-C132 PolarHBondContact O-N 2.85Å; E130-C132 VanDerWaalsContact C-N 3.31Å; E130-C132 PolarHBondContact O-N 3.3Å; C132-C398 WeakPolarHBondContact CA-SG 3.45Å; C132-C398 HydrophobicContact CB-CB 3.88Å; C132-C398 WeakPolarHBondContact CB-SG 3.27Å; C132-C398 VanDerWaalsContact SG-CA 3.58Å; C132-C398 WeakPolarHBondContact SG-CB 3.48Å; C132-C398 CovalentContact SG-SG 2.05Å; C132-C398 PolarHBondContact SG-SG 2.68Å; C132-I401 HydrophobicContact CB-CD1 4.17Å
133	G	48.7	Very low	42.8	Very low	21 Å²	21	110.5 Å²	110.5	22%	0.216	62%	0.621	C	S	.	*			trans	104.7	158.1	-178.7	0	0	0	0	0	112.7	E130 L131 V135	E130-G133 PolarHBondContact O-N 2.93Å; E130-G133 VanDerWaalsContact O-N 3.11Å; L131-G133 PolarHBondContact O-N 3.09Å; G133-V135 PolarHBondContact O-N 2.95Å
134	Q	42	Very low	42.2	Very low	190 Å²	190	106.8 Å²	106.8	89%	0.888	61%	0.61	S	S	*	*			trans	-64.8	95	-177.6	-70.1	176.7	-41.5	0	0	112.2
135	V	40.6	Very low	41.9	Very low	117 Å²	117	106.9 Å²	106.9	71%	0.709	62%	0.615	S	S	*	*			trans	-65.3	125.3	133.5	-174.7	0	0	0	0	105.4	G133 S137	G133-V135 PolarHBondContact O-N 2.95Å; V135-S137 PolarHBondContact O-N 2.73Å
136	A	34.6	Very low	42.3	Very low	66 Å²	66	107.4 Å²	107.4	55%	0.545	60%	0.597	S	S	.	*			trans	-78	90.2	-175.9	0	0	0	0	0	109.5
137	S	31.3	Very low	42.6	Very low	104 Å²	104	106 Å²	106	73%	0.727	58%	0.581	S	S	*	*			trans	-77.3	119.8	178.4	42.8	0	0	0	0	111.3	V135 D141	V135-S137 PolarHBondContact O-N 2.73Å; S137-D141 WeakPolarHBondContact CA-OD2 3.5Å
138	T	29.4	Very low	43.4	Very low	90 Å²	90	99.8 Å²	99.8	55%	0.552	56%	0.556	S	S	*	*			trans	-134.4	153.9	175.5	11.5	0	0	0	0	109.6	E140 D141	T138-E140 PolarHBondContact O-N 3.46Å; T138-D141 PolarHBondContact N-OD2 2.93Å; T138-D141 PolarHBondContact O-N 3.38Å; T138-D141 VanDerWaalsContact O-OD1 3.13Å
139	P	33.7	Very low	44.9	Very low	135 Å²	135	96.5 Å²	96.5	88%	0.877	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	27.6	-162.3	30.7	-36.3	0	0	0	116
140	E	31.9	Very low	46.2	Very low	172 Å²	172	93.7 Å²	93.7	80%	0.804	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	2.3	176.4	-57.7	-169.8	167.6	0	0	112.9	T138 E142	T138-E140 PolarHBondContact O-N 3.46Å; E140-E142 VanDerWaalsContact C-N 3.29Å; E140-E142 PolarHBondContact O-N 3.14Å
141	D	41.5	Very low	47.3	Very low	53 Å²	53	88 Å²	88	28%	0.283	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	1.4	-160.5	-66.4	-14.3	0	0	0	117.4	S137 T138 S143 E144 A145	S137-D141 WeakPolarHBondContact CA-OD2 3.5Å; T138-D141 PolarHBondContact N-OD2 2.93Å; T138-D141 PolarHBondContact O-N 3.38Å; T138-D141 VanDerWaalsContact O-OD1 3.13Å; D141-S143 PolarHBondContact O-N 3.25Å; D141-E144 HydrophobicContact CB-CB 4.48Å; D141-E144 PolarHBondContact O-N 2.88Å; D141-A145 PolarHBondContact O-N 3.42Å
142	E	39.5	Very low	48.4	Very low	176 Å²	176	81.9 Å²	81.9	82%	0.822	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.9	173.3	-77.5	-158.1	152.2	0	0	112.9	E140 Q146	E140-E142 VanDerWaalsContact C-N 3.29Å; E140-E142 PolarHBondContact O-N 3.14Å; E142-Q146 WeakPolarHBondContact O-CG 3.25Å; E142-Q146 PolarHBondContact O-NE2 3.03Å
143	S	40.5	Very low	49.8	Very low	73 Å²	73	82.1 Å²	82.1	51%	0.51	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-25.7	176.7	-162.4	0	0	0	0	113.9	D141 Q146	D141-S143 PolarHBondContact O-N 3.25Å; S143-Q146 PolarHBondContact O-N 2.89Å
144	E	42.4	Very low	51.3	Low	63 Å²	63	81.8 Å²	81.8	29%	0.294	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-69.8	-48.1	-178.2	-69.1	-77.7	97.2	0	0	110.6	D141 Q146 A147 K1017	D141-E144 HydrophobicContact CB-CB 4.48Å; D141-E144 PolarHBondContact O-N 2.88Å; E144-Q146 PolarHBondContact O-N 3Å; E144-A147 WeakPolarHBondContact O-CB 3.32Å; E144-A147 PolarHBondContact O-N 2.9Å; E144-K1017 IonicContact OE1-NZ 2.7Å
145	A	46.5	Very low	53.1	Low	58 Å²	58	72.8 Å²	72.8	48%	0.479	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-70.3	0	179.9	0	0	0	0	0	114.3	R123 D141	R123-A145 VanDerWaalsContact NH2-CB 3.32Å; D141-A145 PolarHBondContact O-N 3.42Å
146	Q	49.4	Very low	55.2	Low	129 Å²	129	69.1 Å²	69.1	60%	0.603	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-94.9	-4	169.7	-60.7	-177.1	32.5	0	0	113.2	E142 S143 E144 W149	E142-Q146 WeakPolarHBondContact O-CG 3.25Å; E142-Q146 PolarHBondContact O-NE2 3.03Å; S143-Q146 PolarHBondContact O-N 2.89Å; E144-Q146 PolarHBondContact O-N 3Å; Q146-W149 PolarHBondContact O-NE1 2.58Å
147	A	55.2	Low	57.6	Low	19 Å²	19	72.4 Å²	72.4	16%	0.157	40%	0.396	C	S	.	.	S	Bend	trans	-91.5	-23.7	-175.7	0	0	0	0	0	114.7	E144 W149 I150 K1017	E144-A147 WeakPolarHBondContact O-CB 3.32Å; E144-A147 PolarHBondContact O-N 2.9Å; A147-W149 VanDerWaalsContact C-N 3.29Å; A147-W149 PolarHBondContact O-N 2.9Å; A147-W149 VanDerWaalsContact O-N 3.15Å; A147-I150 HydrophobicContact CB-CD1 4.35Å; A147-I150 VanDerWaalsContact O-CB 3.22Å; A147-I150 WeakPolarHBondContact O-CB 3.48Å; A147-I150 VanDerWaalsContact O-CG1 3.3Å; A147-I150 WeakPolarHBondContact O-CG1 3.39Å; A147-I150 PolarHBondContact O-N 3.21Å; A147-K1017 HydrophobicContact CB-CD 4.35Å
148	G	60.8	Low	59.9	Low	14 Å²	14	68.2 Å²	68.2	14%	0.144	37%	0.367	C	S	.	.	H	α-helix	trans	-62.7	-25	-168.9	0	0	0	0	0	116.2	I150	G148-I150 VanDerWaalsContact C-N 3.31Å
149	W	73.4	Confident	62.4	Low	121 Å²	121	63.9 Å²	63.9	46%	0.458	34%	0.341	S	S	.	.	H	α-helix	trans	-76	-19.8	175.3	68.3	-90.4	0	0	0	113	L117 S120 F121 Q146 A147 E151 G152 A153	L117-W149 HydrophobicContact CD1-CB 3.79Å; S120-W149 WeakPolarHBondContact OG-CA 3.41Å; F121-W149 HydrophobicContact CE1-CB 4.16Å; F121-W149 HydrophobicContact CE2-CB 4.46Å; F121-W149 HydrophobicContact CZ-CB 3.85Å; F121-W149 HydrophobicContact CZ-CG 4.35Å; Q146-W149 PolarHBondContact O-NE1 2.58Å; A147-W149 VanDerWaalsContact C-N 3.29Å; A147-W149 PolarHBondContact O-N 2.9Å; A147-W149 VanDerWaalsContact O-N 3.15Å; W149-E151 PolarHBondContact O-N 3.11Å; W149-G152 PolarHBondContact O-N 2.77Å; W149-A153 HydrophobicContact CE3-CB 3.71Å; W149-A153 HydrophobicContact CZ3-CB 3.81Å; W149-A153 WeakPolarHBondContact O-CB 3.49Å; W149-A153 PolarHBondContact O-N 3.39Å
150	I	75.5	Confident	64.9	Low	34 Å²	34	61.7 Å²	61.7	17%	0.174	32%	0.321	C	S	.	.	H	α-helix	trans	-66.8	-36.7	-173.6	-58.2	175.4	0	0	0	110.8	A147 G148 A153 A154 P1018	A147-I150 HydrophobicContact CB-CD1 4.35Å; A147-I150 VanDerWaalsContact O-CB 3.22Å; A147-I150 WeakPolarHBondContact O-CB 3.48Å; A147-I150 VanDerWaalsContact O-CG1 3.3Å; A147-I150 WeakPolarHBondContact O-CG1 3.39Å; A147-I150 PolarHBondContact O-N 3.21Å; G148-I150 VanDerWaalsContact C-N 3.31Å; I150-A153 PolarHBondContact O-N 3.1Å; I150-A154 WeakPolarHBondContact O-CB 3.49Å; I150-A154 PolarHBondContact O-N 2.77Å; I150-P1018 HydrophobicContact CG2-CB 4.23Å; I150-P1018 HydrophobicContact CG2-CG 4.02Å
151	E	71.2	Confident	67.4	Low	61 Å²	61	56.7 Å²	56.7	29%	0.285	30%	0.299	S	S	.	.	H	α-helix	trans	-63.1	-48.6	179.1	-173.7	171.4	-149.4	0	0	111.5	W149 A154 I155	W149-E151 PolarHBondContact O-N 3.11Å; E151-A154 PolarHBondContact O-N 2.93Å; E151-I155 HydrophobicContact CG-CD1 4.34Å; E151-I155 VanDerWaalsContact O-CG1 3.32Å; E151-I155 WeakPolarHBondContact O-CG1 3.47Å; E151-I155 PolarHBondContact O-N 2.89Å; E151-I155 VanDerWaalsContact O-N 3.09Å
152	G	75.8	Confident	69.1	Low	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-42.4	176.8	0	0	0	0	0	113	W149 I155 L156	W149-G152 PolarHBondContact O-N 2.77Å; G152-I155 PolarHBondContact O-N 3.12Å; G152-L156 PolarHBondContact O-N 3.19Å
153	A	83.1	Confident	71.2	Confident	29 Å²	29	46.6 Å²	46.6	24%	0.24	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-38.1	177.5	0	0	0	0	0	112.9	W149 I150 L156 F157	W149-A153 HydrophobicContact CE3-CB 3.71Å; W149-A153 HydrophobicContact CZ3-CB 3.81Å; W149-A153 WeakPolarHBondContact O-CB 3.49Å; W149-A153 PolarHBondContact O-N 3.39Å; I150-A153 PolarHBondContact O-N 3.1Å; A153-L156 PolarHBondContact O-N 2.96Å; A153-F157 WeakPolarHBondContact O-CB 3.39Å; A153-F157 PolarHBondContact O-N 2.87Å
154	A	79	Confident	73.4	Confident	13 Å²	13	46.8 Å²	46.8	11%	0.107	25%	0.246	C	C	.	.	H	α-helix	trans	-69.3	-34.2	178.2	0	0	0	0	0	112.1	I150 E151 S158 V873	I150-A154 WeakPolarHBondContact O-CB 3.49Å; I150-A154 PolarHBondContact O-N 2.77Å; E151-A154 PolarHBondContact O-N 2.93Å; A154-S158 VanDerWaalsContact O-CB 3.27Å; A154-S158 WeakPolarHBondContact O-CB 3.41Å; A154-S158 PolarHBondContact O-N 3.1Å; A154-S158 PolarHBondContact O-OG 3.19Å; A154-V873 HydrophobicContact CB-CG2 3.67Å
155	I	79.5	Confident	75.2	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-50.1	171.4	-66.1	164.1	0	0	0	110.3	L109 A113 E151 G152 F157 S158 V159 I411 A872 V873 L876	L109-I155 HydrophobicContact CD1-CG2 3.75Å; L109-I155 HydrophobicContact CD2-CG2 4.24Å; L109-I155 HydrophobicContact CG-CG2 3.78Å; A113-I155 HydrophobicContact CB-CB 3.93Å; A113-I155 HydrophobicContact CB-CG2 3.68Å; E151-I155 HydrophobicContact CG-CD1 4.34Å; E151-I155 VanDerWaalsContact O-CG1 3.32Å; E151-I155 WeakPolarHBondContact O-CG1 3.47Å; E151-I155 PolarHBondContact O-N 2.89Å; E151-I155 VanDerWaalsContact O-N 3.09Å; G152-I155 PolarHBondContact O-N 3.12Å; I155-F157 PolarHBondContact O-N 3.03Å; I155-S158 WeakPolarHBondContact O-CB 3.46Å; I155-S158 PolarHBondContact O-N 2.63Å; I155-S158 VanDerWaalsContact O-N 3.15Å; I155-V159 WeakPolarHBondContact O-CG2 3.16Å; I155-V159 PolarHBondContact O-N 3.25Å; I155-I411 HydrophobicContact CD1-CG2 4.35Å; I155-A872 HydrophobicContact CD1-CB 3.91Å; I155-A872 HydrophobicContact CG1-CB 4.05Å; I155-V873 HydrophobicContact CG1-CG2 4.22Å; I155-L876 HydrophobicContact CG2-CD1 4.45Å
156	L	85.2	Confident	76.4	Confident	40 Å²	40	44.5 Å²	44.5	21%	0.209	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-44.4	178	-71	171.3	0	0	0	112.3	E110 A113 I114 L117 G152 A153 S158 V159 I160	E110-L156 HydrophobicContact CB-CD2 4.24Å; E110-L156 HydrophobicContact CG-CD2 4.19Å; A113-L156 HydrophobicContact CB-CD2 3.97Å; A113-L156 HydrophobicContact CB-CG 3.84Å; I114-L156 HydrophobicContact CG1-CD1 4.23Å; I114-L156 HydrophobicContact CG1-CD2 4.25Å; L117-L156 HydrophobicContact CD2-CD1 4.28Å; G152-L156 PolarHBondContact O-N 3.19Å; A153-L156 PolarHBondContact O-N 2.96Å; L156-S158 VanDerWaalsContact C-N 3.33Å; L156-S158 PolarHBondContact O-N 2.89Å; L156-V159 PolarHBondContact O-N 3.4Å; L156-I160 WeakPolarHBondContact O-CG1 3.43Å; L156-I160 PolarHBondContact O-N 2.77Å; L156-I160 VanDerWaalsContact O-N 3.08Å
157	F	85.3	Confident	78	Confident	135 Å²	135	38.4 Å²	38.4	59%	0.592	20%	0.202	S	C	*	.	H	α-helix	trans	-64.6	-36.8	176.6	-173.8	-112.2	0	0	0	112.5	A153 I155 I160 I161	A153-F157 WeakPolarHBondContact O-CB 3.39Å; A153-F157 PolarHBondContact O-N 2.87Å; I155-F157 PolarHBondContact O-N 3.03Å; F157-I160 PolarHBondContact O-N 2.71Å; F157-I161 HydrophobicContact CD1-CD1 3.92Å; F157-I161 HydrophobicContact CE1-CD1 3.54Å; F157-I161 HydrophobicContact CZ-CD1 3.97Å; F157-I161 WeakPolarHBondContact O-CG1 3.39Å; F157-I161 PolarHBondContact O-N 3.39Å; F157-I161 VanDerWaalsContact O-N 3.09Å
158	S	78.5	Confident	79.3	Confident	16 Å²	16	43.3 Å²	43.3	11%	0.112	22%	0.22	C	C	.	.	H	α-helix	trans	-66.7	-42.2	175.5	-59.6	0	0	0	0	112.1	A154 I155 L156 I160 I161 V162	A154-S158 VanDerWaalsContact O-CB 3.27Å; A154-S158 WeakPolarHBondContact O-CB 3.41Å; A154-S158 PolarHBondContact O-N 3.1Å; A154-S158 PolarHBondContact O-OG 3.19Å; I155-S158 WeakPolarHBondContact O-CB 3.46Å; I155-S158 PolarHBondContact O-N 2.63Å; I155-S158 VanDerWaalsContact O-N 3.15Å; L156-S158 VanDerWaalsContact C-N 3.33Å; L156-S158 PolarHBondContact O-N 2.89Å; S158-I160 VanDerWaalsContact C-N 3.34Å; S158-I160 PolarHBondContact O-N 2.74Å; S158-I161 PolarHBondContact O-N 3.42Å; S158-V162 WeakPolarHBondContact O-CG2 3.33Å; S158-V162 PolarHBondContact O-N 2.82Å
159	V	82.7	Confident	79.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.4	-44.3	174.7	172.2	0	0	0	0	110.7	L106 L109 E110 I155 L156 I161 V162 V163	L106-V159 HydrophobicContact CD2-CG1 4.45Å; L109-V159 HydrophobicContact CD2-CG2 3.69Å; L109-V159 HydrophobicContact CG-CG2 4.18Å; E110-V159 HydrophobicContact CG-CG1 4.05Å; I155-V159 WeakPolarHBondContact O-CG2 3.16Å; I155-V159 PolarHBondContact O-N 3.25Å; L156-V159 PolarHBondContact O-N 3.4Å; V159-I161 VanDerWaalsContact C-N 3.31Å; V159-I161 PolarHBondContact O-N 2.87Å; V159-V162 PolarHBondContact O-N 3.33Å; V159-V163 HydrophobicContact CG1-CG2 4.17Å; V159-V163 WeakPolarHBondContact O-CB 3.45Å; V159-V163 VanDerWaalsContact O-CG2 3.3Å; V159-V163 WeakPolarHBondContact O-CG2 3.38Å; V159-V163 PolarHBondContact O-N 3.45Å
160	I	86.5	Confident	79.7	Confident	88 Å²	88	39.9 Å²	39.9	45%	0.451	21%	0.207	S	C	.	.	H	α-helix	trans	-58.3	-42.3	175.4	-68.5	165.5	0	0	0	111.5	L156 F157 S158 L164	L156-I160 WeakPolarHBondContact O-CG1 3.43Å; L156-I160 PolarHBondContact O-N 2.77Å; L156-I160 VanDerWaalsContact O-N 3.08Å; F157-I160 PolarHBondContact O-N 2.71Å; S158-I160 VanDerWaalsContact C-N 3.34Å; S158-I160 PolarHBondContact O-N 2.74Å; I160-L164 HydrophobicContact CG2-CD1 3.84Å; I160-L164 HydrophobicContact CG2-CG 4.44Å; I160-L164 WeakPolarHBondContact O-CB 3.43Å; I160-L164 VanDerWaalsContact O-CG 3.23Å; I160-L164 WeakPolarHBondContact O-CG 3.37Å; I160-L164 PolarHBondContact O-N 3.28Å
161	I	83.7	Confident	80.1	Confident	68 Å²	68	42.6 Å²	42.6	35%	0.349	22%	0.215	S	C	.	.	H	α-helix	trans	-63.8	-48	176	-71.3	170.2	0	0	0	111.3	F157 S158 V159 V163 L164 V165 L880	F157-I161 HydrophobicContact CD1-CD1 3.92Å; F157-I161 HydrophobicContact CE1-CD1 3.54Å; F157-I161 HydrophobicContact CZ-CD1 3.97Å; F157-I161 WeakPolarHBondContact O-CG1 3.39Å; F157-I161 PolarHBondContact O-N 3.39Å; F157-I161 VanDerWaalsContact O-N 3.09Å; S158-I161 PolarHBondContact O-N 3.42Å; V159-I161 VanDerWaalsContact C-N 3.31Å; V159-I161 PolarHBondContact O-N 2.87Å; I161-V163 PolarHBondContact O-N 2.87Å; I161-L164 PolarHBondContact O-N 3.02Å; I161-V165 HydrophobicContact CG2-CG2 4.42Å; I161-V165 WeakPolarHBondContact O-CG2 3.45Å; I161-V165 PolarHBondContact O-N 3.05Å; I161-L880 HydrophobicContact CG2-CD2 4.45Å
162	V	77.8	Confident	80.2	Confident	12 Å²	12	41 Å²	41	7%	0.073	21%	0.211	C	C	.	.	H	α-helix	trans	-58.4	-50.4	178.8	171	0	0	0	0	110.5	S158 V159 L164 V165 T166 L880	S158-V162 WeakPolarHBondContact O-CG2 3.33Å; S158-V162 PolarHBondContact O-N 2.82Å; V159-V162 PolarHBondContact O-N 3.33Å; V162-L164 PolarHBondContact O-N 3.14Å; V162-V165 PolarHBondContact O-N 2.94Å; V162-T166 WeakPolarHBondContact O-CB 3.48Å; V162-T166 PolarHBondContact O-N 2.96Å; V162-T166 PolarHBondContact O-OG1 3.02Å; V162-T166 VanDerWaalsContact O-OG1 3.13Å; V162-L880 HydrophobicContact CG2-CD1 4.46Å
163	V	84.3	Confident	79.9	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.03	22%	0.221	C	C	.	.	H	α-helix	trans	-56.9	-46.4	177.4	165	0	0	0	0	112	V97 A100 L101 L106 V159 I161 T166 A167	V97-V163 HydrophobicContact CG1-CG1 3.95Å; A100-V163 HydrophobicContact CB-CG1 4.17Å; L101-V163 HydrophobicContact CD2-CG1 4.17Å; L101-V163 HydrophobicContact CD2-CG2 3.87Å; L101-V163 HydrophobicContact CG-CG1 3.9Å; L101-V163 HydrophobicContact CG-CG2 4.31Å; L106-V163 HydrophobicContact CD1-CG2 3.93Å; V159-V163 HydrophobicContact CG1-CG2 4.17Å; V159-V163 WeakPolarHBondContact O-CB 3.45Å; V159-V163 VanDerWaalsContact O-CG2 3.3Å; V159-V163 WeakPolarHBondContact O-CG2 3.38Å; V159-V163 PolarHBondContact O-N 3.45Å; I161-V163 PolarHBondContact O-N 2.87Å; V163-T166 PolarHBondContact O-N 3.32Å; V163-A167 VanDerWaalsContact O-CB 3.3Å; V163-A167 WeakPolarHBondContact O-CB 3.26Å; V163-A167 PolarHBondContact O-N 2.97Å
164	L	86.3	Confident	79.4	Confident	77 Å²	77	44.1 Å²	44.1	40%	0.403	22%	0.22	S	C	.	.	H	α-helix	trans	-65.3	-38.5	179	-75.2	170.8	0	0	0	112.5	F93 V97 I160 I161 V162 F168	F93-L164 HydrophobicContact CE1-CD2 4.17Å; F93-L164 HydrophobicContact CZ-CD2 4.1Å; V97-L164 HydrophobicContact CG2-CD2 4.11Å; I160-L164 HydrophobicContact CG2-CD1 3.84Å; I160-L164 HydrophobicContact CG2-CG 4.44Å; I160-L164 WeakPolarHBondContact O-CB 3.43Å; I160-L164 VanDerWaalsContact O-CG 3.23Å; I160-L164 WeakPolarHBondContact O-CG 3.37Å; I160-L164 PolarHBondContact O-N 3.28Å; I161-L164 PolarHBondContact O-N 3.02Å; V162-L164 PolarHBondContact O-N 3.14Å; L164-F168 VanDerWaalsContact O-CB 3.26Å; L164-F168 WeakPolarHBondContact O-CB 3.38Å; L164-F168 PolarHBondContact O-N 3.48Å
165	V	79.1	Confident	79.4	Confident	38 Å²	38	49.4 Å²	49.4	23%	0.23	24%	0.24	C	C	.	.	H	α-helix	trans	-70	-43.1	177.2	174.3	0	0	0	0	110.9	I161 V162 F168 N169 L880 T884 F885	I161-V165 HydrophobicContact CG2-CG2 4.42Å; I161-V165 WeakPolarHBondContact O-CG2 3.45Å; I161-V165 PolarHBondContact O-N 3.05Å; V162-V165 PolarHBondContact O-N 2.94Å; V165-F168 PolarHBondContact O-N 3.37Å; V165-N169 WeakPolarHBondContact O-CB 3.38Å; V165-N169 PolarHBondContact O-N 2.94Å; V165-L880 HydrophobicContact CB-CD1 4.2Å; V165-L880 HydrophobicContact CG1-CD1 4Å; V165-T884 HydrophobicContact CG1-CG2 3.82Å; V165-F885 HydrophobicContact CG1-CE1 4.48Å
166	T	72.4	Confident	78.9	Confident	35 Å²	35	52.1 Å²	52.1	22%	0.215	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-49.3	175.1	-64.1	0	0	0	0	111.4	V162 V163 F168 N169 D170	V162-T166 WeakPolarHBondContact O-CB 3.48Å; V162-T166 PolarHBondContact O-N 2.96Å; V162-T166 PolarHBondContact O-OG1 3.02Å; V162-T166 VanDerWaalsContact O-OG1 3.13Å; V163-T166 PolarHBondContact O-N 3.32Å; T166-F168 VanDerWaalsContact C-N 3.31Å; T166-F168 PolarHBondContact O-N 2.89Å; T166-N169 WeakPolarHBondContact O-CB 3.2Å; T166-N169 PolarHBondContact O-N 2.92Å; T166-N169 VanDerWaalsContact O-N 3.12Å; T166-D170 PolarHBondContact O-N 3Å
167	A	83.8	Confident	78	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-34.5	177	0	0	0	0	0	112.8	F93 L96 V97 V163 W171	F93-A167 HydrophobicContact CE2-CB 4.05Å; F93-A167 HydrophobicContact CZ-CB 4.41Å; L96-A167 HydrophobicContact CB-CB 4.22Å; V97-A167 HydrophobicContact CB-CB 4.35Å; V97-A167 HydrophobicContact CG2-CB 3.51Å; V163-A167 VanDerWaalsContact O-CB 3.3Å; V163-A167 WeakPolarHBondContact O-CB 3.26Å; V163-A167 PolarHBondContact O-N 2.97Å; A167-W171 VanDerWaalsContact O-CB 3.23Å; A167-W171 WeakPolarHBondContact O-CB 3.39Å; A167-W171 PolarHBondContact O-N 3.29Å
168	F	82.6	Confident	77.5	Confident	121 Å²	121	52.3 Å²	52.3	53%	0.531	25%	0.249	S	C	.	.	H	α-helix	trans	-67.8	-36.2	173.6	178.9	-96	0	0	0	112.5	F93 L164 V165 T166 W171 S172	F93-F168 HydrophobicContact CE2-CB 4.24Å; L164-F168 VanDerWaalsContact O-CB 3.26Å; L164-F168 WeakPolarHBondContact O-CB 3.38Å; L164-F168 PolarHBondContact O-N 3.48Å; V165-F168 PolarHBondContact O-N 3.37Å; T166-F168 VanDerWaalsContact C-N 3.31Å; T166-F168 PolarHBondContact O-N 2.89Å; F168-W171 HydrophobicContact CD2-CE3 4.46Å; F168-W171 HydrophobicContact CE2-CE3 4.36Å; F168-W171 HydrophobicContact CE2-CZ3 4.27Å; F168-S172 VanDerWaalsContact O-CB 3.23Å; F168-S172 WeakPolarHBondContact O-CB 3.41Å; F168-S172 PolarHBondContact O-N 3.13Å; F168-S172 PolarHBondContact O-OG 3.26Å
169	N	69.6	Low	77.1	Confident	20 Å²	20	53.5 Å²	53.5	11%	0.107	26%	0.263	C	S	.	.	H	α-helix	trans	-66.3	-48.4	175.4	-159.6	-6.1	0	0	0	110.6	V165 T166 S172 K173 I431	V165-N169 WeakPolarHBondContact O-CB 3.38Å; V165-N169 PolarHBondContact O-N 2.94Å; T166-N169 WeakPolarHBondContact O-CB 3.2Å; T166-N169 PolarHBondContact O-N 2.92Å; T166-N169 VanDerWaalsContact O-N 3.12Å; N169-S172 CarbonylContact O-C 3.46Å; N169-S172 WeakPolarHBondContact O-CB 3.33Å; N169-S172 PolarHBondContact O-N 3.24Å; N169-S172 VanDerWaalsContact O-N 3.16Å; N169-K173 WeakPolarHBondContact O-CB 3.28Å; N169-K173 PolarHBondContact O-N 2.8Å; N169-I431 WeakPolarHBondContact ND2-CD1 3.36Å; N169-I431 WeakPolarHBondContact OD1-CD1 3.45Å
170	D	72.6	Confident	76.4	Confident	43 Å²	43	54.2 Å²	54.2	23%	0.23	27%	0.267	C	S	.	.	H	α-helix	trans	-67.4	-36.6	177.9	-91.9	-21.6	0	0	0	113.6	T166 S172 K173 E174	T166-D170 PolarHBondContact O-N 3Å; D170-S172 VanDerWaalsContact C-N 3.34Å; D170-S172 PolarHBondContact O-N 3.04Å; D170-K173 WeakPolarHBondContact O-CB 3.45Å; D170-K173 PolarHBondContact O-N 2.87Å; D170-K173 VanDerWaalsContact OD1-CD 3.24Å; D170-K173 WeakPolarHBondContact OD1-CD 3.41Å; D170-K173 WeakPolarHBondContact OD1-CE 3.41Å; D170-K173 IonicContact OD1-NZ 2.59Å; D170-K173 PolarHBondContact OD1-NZ 3.19Å; D170-K173 IonicContact OD2-NZ 2.6Å; D170-E174 PolarHBondContact O-N 3.33Å
171	W	82.8	Confident	75.6	Confident	91 Å²	91	54.5 Å²	54.5	35%	0.345	27%	0.266	S	S	.	.	H	α-helix	trans	-63.1	-41	169.8	178.7	82.8	0	0	0	112	F93 L96 A167 F168 K173 E174 K175	F93-W171 HydrophobicContact CD2-CB 4.16Å; F93-W171 HydrophobicContact CD2-CG 4.33Å; L96-W171 HydrophobicContact CD1-CB 3.81Å; A167-W171 VanDerWaalsContact O-CB 3.23Å; A167-W171 WeakPolarHBondContact O-CB 3.39Å; A167-W171 PolarHBondContact O-N 3.29Å; F168-W171 HydrophobicContact CD2-CE3 4.46Å; F168-W171 HydrophobicContact CE2-CE3 4.36Å; F168-W171 HydrophobicContact CE2-CZ3 4.27Å; W171-K173 VanDerWaalsContact C-N 3.28Å; W171-K173 PolarHBondContact O-N 3.47Å; W171-E174 PolarHBondContact O-N 2.99Å; W171-K175 HydrophobicContact CE3-CD 4.43Å; W171-K175 HydrophobicContact CH2-CD 3.79Å; W171-K175 HydrophobicContact CZ2-CD 4.1Å; W171-K175 HydrophobicContact CZ3-CD 3.94Å; W171-K175 WeakPolarHBondContact O-CB 3.38Å; W171-K175 PolarHBondContact O-N 3.47Å
172	S	73.6	Confident	75.2	Confident	27 Å²	27	55.2 Å²	55.2	19%	0.189	27%	0.271	C	S	.	.	H	α-helix	trans	-67.1	-29.7	176.6	-65	0	0	0	0	112.6	F168 N169 D170 Q176	F168-S172 VanDerWaalsContact O-CB 3.23Å; F168-S172 WeakPolarHBondContact O-CB 3.41Å; F168-S172 PolarHBondContact O-N 3.13Å; F168-S172 PolarHBondContact O-OG 3.26Å; N169-S172 CarbonylContact O-C 3.46Å; N169-S172 WeakPolarHBondContact O-CB 3.33Å; N169-S172 PolarHBondContact O-N 3.24Å; N169-S172 VanDerWaalsContact O-N 3.16Å; D170-S172 VanDerWaalsContact C-N 3.34Å; D170-S172 PolarHBondContact O-N 3.04Å; S172-Q176 VanDerWaalsContact O-CG 3.3Å; S172-Q176 WeakPolarHBondContact O-CG 3.3Å; S172-Q176 PolarHBondContact O-N 3.24Å; S172-Q176 PolarHBondContact O-NE2 2.93Å; S172-Q176 VanDerWaalsContact O-NE2 3.12Å
173	K	69.6	Low	74.8	Confident	47 Å²	47	60.9 Å²	60.9	20%	0.204	29%	0.291	C	S	.	.	H	α-helix	trans	-71	-51.4	172	166.2	-175.4	120.9	-173	0	111.4	N169 D170 W171 K175 Q176 F177 T430	N169-K173 WeakPolarHBondContact O-CB 3.28Å; N169-K173 PolarHBondContact O-N 2.8Å; D170-K173 WeakPolarHBondContact O-CB 3.45Å; D170-K173 PolarHBondContact O-N 2.87Å; D170-K173 VanDerWaalsContact OD1-CD 3.24Å; D170-K173 WeakPolarHBondContact OD1-CD 3.41Å; D170-K173 WeakPolarHBondContact OD1-CE 3.41Å; D170-K173 IonicContact OD1-NZ 2.59Å; D170-K173 PolarHBondContact OD1-NZ 3.19Å; D170-K173 IonicContact OD2-NZ 2.6Å; W171-K173 VanDerWaalsContact C-N 3.28Å; W171-K173 PolarHBondContact O-N 3.47Å; K173-K175 VanDerWaalsContact C-N 3.34Å; K173-K175 PolarHBondContact O-N 3.01Å; K173-Q176 WeakPolarHBondContact O-CB 3.28Å; K173-Q176 PolarHBondContact O-N 3.5Å; K173-F177 HydrophobicContact CD-CE2 4.39Å; K173-F177 HydrophobicContact CG-CD2 4.03Å; K173-F177 HydrophobicContact CG-CE2 3.56Å; K173-F177 VanDerWaalsContact O-CD2 3.31Å; K173-F177 WeakPolarHBondContact O-CD2 3.29Å; K173-F177 PolarHBondContact O-N 2.9Å; K173-T430 HydrophobicContact CD-CG2 3.53Å; K173-T430 HydrophobicContact CG-CG2 4.14Å
174	E	73.4	Confident	74.1	Confident	49 Å²	49	62.2 Å²	62.2	23%	0.229	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-42.1	176.9	-171.1	177.9	159.6	0	0	111.8	P90 K91 D170 W171 Q176 F177 R178	P90-E174 WeakPolarHBondContact CA-OE1 3.11Å; P90-E174 WeakPolarHBondContact CB-OE1 3.31Å; K91-E174 PolarHBondContact N-OE1 2.75Å; D170-E174 PolarHBondContact O-N 3.33Å; W171-E174 PolarHBondContact O-N 2.99Å; E174-Q176 VanDerWaalsContact C-N 3.25Å; E174-Q176 PolarHBondContact O-N 2.92Å; E174-F177 PolarHBondContact O-N 3.08Å; E174-F177 VanDerWaalsContact O-N 3.17Å; E174-R178 WeakPolarHBondContact O-CG 3.46Å; E174-R178 PolarHBondContact O-N 3.29Å
175	K	77.6	Confident	73.3	Confident	123 Å²	123	62.6 Å²	62.6	54%	0.535	30%	0.298	S	S	.	.	H	α-helix	trans	-58.4	-34.2	173	-176.7	176	-179.3	177.2	0	113	W171 K173 G179	W171-K175 HydrophobicContact CE3-CD 4.43Å; W171-K175 HydrophobicContact CH2-CD 3.79Å; W171-K175 HydrophobicContact CZ2-CD 4.1Å; W171-K175 HydrophobicContact CZ3-CD 3.94Å; W171-K175 WeakPolarHBondContact O-CB 3.38Å; W171-K175 PolarHBondContact O-N 3.47Å; K173-K175 VanDerWaalsContact C-N 3.34Å; K173-K175 PolarHBondContact O-N 3.01Å; K175-G179 PolarHBondContact O-N 3.19Å; K175-G179 VanDerWaalsContact O-N 3.16Å
176	Q	68.7	Low	73	Confident	58 Å²	58	67.3 Å²	67.3	27%	0.271	32%	0.317	S	S	.	.	H	α-helix	trans	-73	-42.2	174.4	-77.9	178	87.5	0	0	112.2	S172 K173 E174 G179 L180	S172-Q176 VanDerWaalsContact O-CG 3.3Å; S172-Q176 WeakPolarHBondContact O-CG 3.3Å; S172-Q176 PolarHBondContact O-N 3.24Å; S172-Q176 PolarHBondContact O-NE2 2.93Å; S172-Q176 VanDerWaalsContact O-NE2 3.12Å; K173-Q176 WeakPolarHBondContact O-CB 3.28Å; K173-Q176 PolarHBondContact O-N 3.5Å; E174-Q176 VanDerWaalsContact C-N 3.25Å; E174-Q176 PolarHBondContact O-N 2.92Å; Q176-G179 PolarHBondContact O-N 2.71Å; Q176-L180 PolarHBondContact O-N 2.66Å
177	F	67.6	Low	73	Confident	52 Å²	52	70.4 Å²	70.4	23%	0.228	33%	0.329	C	S	.	.	H	α-helix	trans	-61.8	-43.2	174.9	-71.9	-55.9	0	0	0	112.5	K173 E174 G179 L180 Q181 T430 A434 L450	K173-F177 HydrophobicContact CD-CE2 4.39Å; K173-F177 HydrophobicContact CG-CD2 4.03Å; K173-F177 HydrophobicContact CG-CE2 3.56Å; K173-F177 VanDerWaalsContact O-CD2 3.31Å; K173-F177 WeakPolarHBondContact O-CD2 3.29Å; K173-F177 PolarHBondContact O-N 2.9Å; E174-F177 PolarHBondContact O-N 3.08Å; E174-F177 VanDerWaalsContact O-N 3.17Å; F177-G179 VanDerWaalsContact C-N 3.3Å; F177-G179 PolarHBondContact O-N 3.33Å; F177-L180 HydrophobicContact CD1-CD1 4.37Å; F177-L180 WeakPolarHBondContact O-CB 3.25Å; F177-L180 PolarHBondContact O-N 2.7Å; F177-Q181 PolarHBondContact O-N 3.12Å; F177-T430 HydrophobicContact CE2-CG2 3.99Å; F177-T430 HydrophobicContact CZ-CG2 4Å; F177-A434 HydrophobicContact CE1-CB 4.02Å; F177-A434 HydrophobicContact CE2-CB 4.37Å; F177-A434 HydrophobicContact CZ-CB 3.79Å; F177-L450 HydrophobicContact CD1-CD1 4.22Å; F177-L450 HydrophobicContact CD1-CD2 4.43Å; F177-L450 HydrophobicContact CE1-CD1 3.43Å; F177-L450 VanDerWaalsContact CE1-CD1 3.43Å; F177-L450 HydrophobicContact CE1-CD2 3.77Å; F177-L450 HydrophobicContact CE1-CG 4.26Å; F177-L450 HydrophobicContact CZ-CD1 3.8Å
178	R	73.6	Confident	72.6	Confident	128 Å²	128	74.7 Å²	74.7	48%	0.483	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-38.8	173.5	-67.4	176.5	65	-156.5	-3.6	112.3	E174 L180 Q181 N182	E174-R178 WeakPolarHBondContact O-CG 3.46Å; E174-R178 PolarHBondContact O-N 3.29Å; R178-L180 PolarHBondContact O-N 2.85Å; R178-Q181 PolarHBondContact O-N 3.25Å; R178-N182 WeakPolarHBondContact O-CB 3.26Å; R178-N182 PolarHBondContact O-N 3.24Å; R178-N182 PolarHBondContact O-OD1 2.67Å
179	G	71.8	Confident	72.7	Confident	41 Å²	41	74.3 Å²	74.3	42%	0.423	35%	0.347	S	S	.	.	H	α-helix	trans	-65.2	-19.3	174.4	0	0	0	0	0	115	K175 Q176 F177	K175-G179 PolarHBondContact O-N 3.19Å; K175-G179 VanDerWaalsContact O-N 3.16Å; Q176-G179 PolarHBondContact O-N 2.71Å; F177-G179 VanDerWaalsContact C-N 3.3Å; F177-G179 PolarHBondContact O-N 3.33Å
180	L	67.4	Low	73.6	Confident	14 Å²	14	73.6 Å²	73.6	7%	0.073	34%	0.343	C	S	.	.	H	α-helix	trans	-87.3	-48.6	171.2	-66.4	164	0	0	0	110.8	Q176 F177 R178 N182 R183 I184 V437 M441	Q176-L180 PolarHBondContact O-N 2.66Å; F177-L180 HydrophobicContact CD1-CD1 4.37Å; F177-L180 WeakPolarHBondContact O-CB 3.25Å; F177-L180 PolarHBondContact O-N 2.7Å; R178-L180 PolarHBondContact O-N 2.85Å; L180-N182 PolarHBondContact O-N 2.81Å; L180-R183 WeakPolarHBondContact O-CB 3.31Å; L180-R183 PolarHBondContact O-N 3.41Å; L180-I184 PolarHBondContact O-N 3.46Å; L180-I184 VanDerWaalsContact O-N 3.11Å; L180-V437 HydrophobicContact CD1-CB 4.4Å; L180-V437 HydrophobicContact CD1-CG1 3.66Å; L180-V437 HydrophobicContact CD2-CG1 4.1Å; L180-M441 HydrophobicContact CD2-CE 4.48Å; L180-M441 HydrophobicContact CD2-SD 3.86Å
181	Q	70.1	Confident	74.4	Confident	94 Å²	94	72.3 Å²	72.3	44%	0.439	34%	0.338	S	S	.	.	H	α-helix	trans	-54.9	-50.6	179.3	-177.1	61.1	28.8	0	0	112.1	F177 R178 R183 I184 E185	F177-Q181 PolarHBondContact O-N 3.12Å; R178-Q181 PolarHBondContact O-N 3.25Å; Q181-R183 PolarHBondContact O-N 2.74Å; Q181-I184 PolarHBondContact O-N 3.13Å; Q181-I184 VanDerWaalsContact O-N 3.1Å; Q181-E185 WeakPolarHBondContact CG-OE1 3.49Å; Q181-E185 PolarHBondContact NE2-OE1 3.07Å; Q181-E185 WeakPolarHBondContact O-CG 3.46Å; Q181-E185 PolarHBondContact O-N 3.11Å; Q181-E185 VanDerWaalsContact O-N 3.11Å
182	N	74.7	Confident	74.9	Confident	84 Å²	84	68 Å²	68	45%	0.449	32%	0.321	S	S	.	.	H	α-helix	trans	-58.6	-19.3	176.8	-73.4	42.7	0	0	0	113.9	R178 L180 Q186	R178-N182 WeakPolarHBondContact O-CB 3.26Å; R178-N182 PolarHBondContact O-N 3.24Å; R178-N182 PolarHBondContact O-OD1 2.67Å; L180-N182 PolarHBondContact O-N 2.81Å; N182-Q186 VanDerWaalsContact O-CG 3.24Å; N182-Q186 WeakPolarHBondContact O-CG 3.38Å
183	R	69.9	Low	75.6	Confident	131 Å²	131	67 Å²	67	49%	0.494	31%	0.314	S	S	.	.	H	α-helix	trans	-89.2	-39.2	175.5	-76.1	179.9	162.7	-123.8	-7.8	112.3	L180 Q181 E185 Q186 E187 M441	L180-R183 WeakPolarHBondContact O-CB 3.31Å; L180-R183 PolarHBondContact O-N 3.41Å; Q181-R183 PolarHBondContact O-N 2.74Å; R183-E185 PolarHBondContact O-N 2.86Å; R183-Q186 PolarHBondContact O-N 3.09Å; R183-E187 PolarHBondContact O-N 3.14Å; R183-M441 WeakPolarHBondContact CD-SD 3.44Å
184	I	69.5	Low	76.6	Confident	32 Å²	32	65.8 Å²	65.8	16%	0.164	31%	0.308	C	S	.	.	H	α-helix	trans	-56.1	-44.4	172.9	-62.7	167.1	0	0	0	109.5	L180 Q181 Q186 E187 L446	L180-I184 PolarHBondContact O-N 3.46Å; L180-I184 VanDerWaalsContact O-N 3.11Å; Q181-I184 PolarHBondContact O-N 3.13Å; Q181-I184 VanDerWaalsContact O-N 3.1Å; I184-Q186 VanDerWaalsContact C-N 3.29Å; I184-Q186 PolarHBondContact O-N 3.03Å; I184-E187 PolarHBondContact O-N 3.19Å; I184-L446 HydrophobicContact CG1-CD1 3.88Å; I184-L446 HydrophobicContact CG1-CD2 4.12Å; I184-L446 HydrophobicContact CG1-CG 4.19Å
185	E	69.8	Low	77.2	Confident	86 Å²	86	68.5 Å²	68.5	40%	0.402	32%	0.324	S	S	.	.	H	α-helix	trans	-65.6	-25.5	177.2	-68.7	165.7	-174.4	0	0	113.7	Q181 R183	Q181-E185 WeakPolarHBondContact CG-OE1 3.49Å; Q181-E185 PolarHBondContact NE2-OE1 3.07Å; Q181-E185 WeakPolarHBondContact O-CG 3.46Å; Q181-E185 PolarHBondContact O-N 3.11Å; Q181-E185 VanDerWaalsContact O-N 3.11Å; R183-E185 PolarHBondContact O-N 2.86Å
186	Q	72.7	Confident	77.3	Confident	136 Å²	136	64.8 Å²	64.8	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-86	-20.6	178.7	-77.3	176.4	-5.2	0	0	114	N182 R183 I184	N182-Q186 VanDerWaalsContact O-CG 3.24Å; N182-Q186 WeakPolarHBondContact O-CG 3.38Å; R183-Q186 PolarHBondContact O-N 3.09Å; I184-Q186 VanDerWaalsContact C-N 3.29Å; I184-Q186 PolarHBondContact O-N 3.03Å
187	E	70.9	Confident	77.9	Confident	100 Å²	100	68.5 Å²	68.5	47%	0.467	34%	0.338	S	S	.	.	H	α-helix	trans	-81.8	-21	176.6	-71.6	-171.4	-175.4	0	0	112.8	R183 I184 K189 L446	R183-E187 PolarHBondContact O-N 3.14Å; I184-E187 PolarHBondContact O-N 3.19Å; E187-K189 PolarHBondContact O-N 3.13Å; E187-L446 WeakPolarHBondContact OE2-CD2 3.42Å
188	Q	75.6	Confident	78.6	Confident	91 Å²	91	70.6 Å²	70.6	43%	0.425	35%	0.351	S	S	.	.			trans	-71.6	113.1	175.1	-69.2	-173.9	-32.3	0	0	111.7	P202 V203	Q188-P202 WeakPolarHBondContact O-CA 3.26Å; Q188-V203 HydrophobicContact CB-CG2 4.02Å; Q188-V203 PolarHBondContact O-N 3.11Å
189	K	85	Confident	79.2	Confident	113 Å²	113	67.2 Å²	67.2	49%	0.491	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.3	-178.3	-64.1	176	-174.8	175.1	0	111.8	E187 L201	E187-K189 PolarHBondContact O-N 3.13Å; K189-L201 CarbonylContact C-O 3.49Å; K189-L201 WeakPolarHBondContact CA-O 3.5Å
190	F	88.8	Confident	79.8	Confident	5 Å²	5	71.6 Å²	71.6	2%	0.022	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	156.8	176.2	-146.2	-94.3	0	0	0	112.8	I192 Q200 L201 I206 A212 Q213 V214 D218 L219 L220 P221	F190-I192 HydrophobicContact CB-CD1 4.42Å; F190-I192 HydrophobicContact CD1-CD1 4Å; F190-Q200 WeakPolarHBondContact O-CA 3.18Å; F190-L201 PolarHBondContact N-O 2.98Å; F190-L201 PolarHBondContact O-N 3.37Å; F190-I206 HydrophobicContact CB-CD1 3.8Å; F190-A212 HydrophobicContact CD1-CB 4.09Å; F190-A212 HydrophobicContact CE1-CB 3.97Å; F190-Q213 WeakPolarHBondContact CE1-O 3.31Å; F190-V214 HydrophobicContact CE1-CG1 4.13Å; F190-V214 HydrophobicContact CZ-CG1 4.04Å; F190-D218 HydrophobicContact CE2-CB 3.82Å; F190-D218 HydrophobicContact CZ-CB 3.93Å; F190-D218 WeakPolarHBondContact CZ-OD2 3.28Å; F190-L219 VanDerWaalsContact CE2-O 3.27Å; F190-L219 WeakPolarHBondContact CE2-O 3.46Å; F190-L220 HydrophobicContact CZ-CD2 4.49Å; F190-P221 HydrophobicContact CB-CG 4.15Å; F190-P221 HydrophobicContact CD1-CG 4.18Å; F190-P221 HydrophobicContact CD2-CB 4.36Å; F190-P221 HydrophobicContact CD2-CG 3.72Å; F190-P221 HydrophobicContact CE2-CG 4.21Å; F190-P221 HydrophobicContact CG-CG 3.71Å
191	S	89.4	Confident	80.7	Confident	17 Å²	17	71.9 Å²	71.9	12%	0.119	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	109.8	-179.7	-54.9	0	0	0	0	110.6	Q213	S191-Q213 PolarHBondContact O-N 2.87Å
192	I	92.4	Very high	81.6	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.2	-174.2	-53.6	-61.5	0	0	0	109.6	F190 R194 I199 L201 I206 D210 I211 A212	F190-I192 HydrophobicContact CB-CD1 4.42Å; F190-I192 HydrophobicContact CD1-CD1 4Å; I192-R194 HydrophobicContact CG2-CG 4.17Å; I192-I199 PolarHBondContact N-O 3.45Å; I192-I199 VanDerWaalsContact O-CG1 3.29Å; I192-I199 WeakPolarHBondContact O-CG1 3.49Å; I192-I199 PolarHBondContact O-N 2.8Å; I192-I199 VanDerWaalsContact O-O 3.13Å; I192-L201 HydrophobicContact CB-CD1 4.17Å; I192-L201 HydrophobicContact CG1-CD1 4.2Å; I192-L201 HydrophobicContact CG2-CD1 4.4Å; I192-I206 HydrophobicContact CD1-CD1 4.17Å; I192-I206 HydrophobicContact CD1-CG1 4.16Å; I192-I206 HydrophobicContact CD1-CG2 4.48Å; I192-I206 HydrophobicContact CG1-CG1 4.35Å; I192-D210 HydrophobicContact CG2-CB 3.88Å; I192-I211 CarbonylContact C-O 3.1Å; I192-I211 WeakPolarHBondContact CA-O 3.46Å; I192-A212 HydrophobicContact CD1-CB 3.72Å
193	I	89.1	Confident	82.3	Confident	7 Å²	7	66.7 Å²	66.7	4%	0.036	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.6	172.8	-54.6	176.4	0	0	0	109	Q197 L198 I211	I193-Q197 WeakPolarHBondContact CA-O 3.26Å; I193-L198 HydrophobicContact CG1-CD1 3.9Å; I193-I211 HydrophobicContact CB-CB 4.31Å; I193-I211 HydrophobicContact CB-CG2 4.36Å; I193-I211 HydrophobicContact CD1-CG2 4.19Å; I193-I211 PolarHBondContact N-O 2.98Å
194	R	90.5	Very high	83.2	Confident	20 Å²	20	62.6 Å²	62.6	8%	0.075	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	140.8	169.6	-63.6	-171	-177.9	156.5	0.6	109	E64 L66 I192 G196 Q197 I199 L201 E205 D210	E64-R194 CarbonylContact O-C 3.57Å; L66-R194 HydrophobicContact CB-CG 4.33Å; L66-R194 CarbonylContact O-C 3.13Å; L66-R194 VanDerWaalsContact O-CA 3.28Å; L66-R194 WeakPolarHBondContact O-CA 3.43Å; L66-R194 WeakPolarHBondContact O-CB 3.27Å; I192-R194 HydrophobicContact CG2-CG 4.17Å; R194-G196 PolarHBondContact O-N 3.13Å; R194-Q197 PolarHBondContact N-O 2.69Å; R194-Q197 PolarHBondContact O-N 2.99Å; R194-I199 HydrophobicContact CB-CD1 4Å; R194-I199 HydrophobicContact CG-CD1 4.06Å; R194-L201 VanDerWaalsContact NH1-CD1 3.31Å; R194-E205 PolarHBondContact NH2-O 2.87Å; R194-D210 IonicContact CZ-OD1 2.74Å; R194-D210 IonicContact CZ-OD2 3.19Å; R194-D210 IonicContact NE-OD1 3.66Å; R194-D210 PolarHBondContact NE-OD1 3.38Å; R194-D210 IonicContact NE-OD2 2.7Å; R194-D210 VanDerWaalsContact NH2-CG 3.31Å; R194-D210 IonicContact NH2-OD1 2.67Å; R194-D210 PolarHBondContact NH2-OD1 2.76Å; R194-D210 VanDerWaalsContact NH2-OD1 3.12Å; R194-D210 IonicContact NH2-OD2 3.51Å; R194-D210 PolarHBondContact NH2-OD2 3.34Å
195	N	86.8	Confident	84.2	Confident	106 Å²	106	64.9 Å²	64.9	57%	0.567	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	35.8	-172.5	-66.8	-45.4	0	0	0	114.3	E64 L66 S67 Q197	E64-N195 PolarHBondContact O-N 2.9Å; E64-N195 VanDerWaalsContact O-N 3.1Å; L66-N195 PolarHBondContact O-N 3.17Å; S67-N195 VanDerWaalsContact CA-OD1 3.26Å; S67-N195 WeakPolarHBondContact CA-OD1 3.49Å; S67-N195 PolarHBondContact O-ND2 3.41Å; S67-N195 PolarHBondContact O-OD1 3.15Å; N195-Q197 PolarHBondContact O-N 2.63Å; N195-Q197 VanDerWaalsContact O-N 3.11Å
196	G	79.1	Confident	85.2	Confident	46 Å²	46	60.9 Å²	60.9	47%	0.474	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	-1.1	-176.2	0	0	0	0	0	115.3	E64 R194	E64-G196 PolarHBondContact O-N 3.02Å; R194-G196 PolarHBondContact O-N 3.13Å
197	Q	82.1	Confident	86.3	Confident	136 Å²	136	54.4 Å²	54.4	64%	0.636	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.8	179.1	-61.5	-172.3	5.6	0	0	110.9	I193 R194 N195	I193-Q197 WeakPolarHBondContact CA-O 3.26Å; R194-Q197 PolarHBondContact N-O 2.69Å; R194-Q197 PolarHBondContact O-N 2.99Å; N195-Q197 PolarHBondContact O-N 2.63Å; N195-Q197 VanDerWaalsContact O-N 3.11Å
198	L	81.4	Confident	87.4	Confident	96 Å²	96	49.8 Å²	49.8	50%	0.503	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	114.6	172.9	-173.8	67.8	0	0	0	109.5	I193 Q213	I193-L198 HydrophobicContact CG1-CD1 3.9Å; L198-Q213 HydrophobicContact CD1-CB 4.05Å
199	I	86.3	Confident	88.1	Confident	56 Å²	56	45.4 Å²	45.4	29%	0.287	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	152.3	-178.8	57.3	172.9	0	0	0	110.5	I192 R194 L201	I192-I199 PolarHBondContact N-O 3.45Å; I192-I199 VanDerWaalsContact O-CG1 3.29Å; I192-I199 WeakPolarHBondContact O-CG1 3.49Å; I192-I199 PolarHBondContact O-N 2.8Å; I192-I199 VanDerWaalsContact O-O 3.13Å; R194-I199 HydrophobicContact CB-CD1 4Å; R194-I199 HydrophobicContact CG-CD1 4.06Å; I199-L201 HydrophobicContact CD1-CD1 3.87Å; I199-L201 HydrophobicContact CD1-CD2 4.05Å; I199-L201 HydrophobicContact CD1-CG 3.95Å; I199-L201 HydrophobicContact CG1-CD1 4.39Å; I199-L201 HydrophobicContact CG1-CG 4.21Å
200	Q	83.8	Confident	88.5	Confident	133 Å²	133	40 Å²	40	62%	0.621	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103	118.9	172.1	-74	-172.9	-18.3	0	0	110.1	F190	F190-Q200 WeakPolarHBondContact O-CA 3.18Å
201	L	87.3	Confident	88.7	Confident	21 Å²	21	39.8 Å²	39.8	11%	0.11	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	147.3	-178.2	-66.5	175.7	0	0	0	110.7	K189 F190 I192 R194 I199	K189-L201 CarbonylContact C-O 3.49Å; K189-L201 WeakPolarHBondContact CA-O 3.5Å; F190-L201 PolarHBondContact N-O 2.98Å; F190-L201 PolarHBondContact O-N 3.37Å; I192-L201 HydrophobicContact CB-CD1 4.17Å; I192-L201 HydrophobicContact CG1-CD1 4.2Å; I192-L201 HydrophobicContact CG2-CD1 4.4Å; R194-L201 VanDerWaalsContact NH1-CD1 3.31Å; I199-L201 HydrophobicContact CD1-CD1 3.87Å; I199-L201 HydrophobicContact CD1-CD2 4.05Å; I199-L201 HydrophobicContact CD1-CG 3.95Å; I199-L201 HydrophobicContact CG1-CD1 4.39Å; I199-L201 HydrophobicContact CG1-CG 4.21Å
202	P	88.9	Confident	88.9	Confident	37 Å²	37	39 Å²	39	24%	0.24	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	143.4	168.1	-21.1	32.9	0	0	0	111	Q188 A204 E205	Q188-P202 WeakPolarHBondContact O-CA 3.26Å; P202-A204 PolarHBondContact O-N 2.93Å; P202-A204 VanDerWaalsContact O-N 3.12Å; P202-E205 HydrophobicContact CB-CG 4.39Å; P202-E205 HydrophobicContact CG-CG 4.37Å; P202-E205 PolarHBondContact O-N 3.17Å
203	V	89.6	Confident	88.8	Confident	32 Å²	32	42.3 Å²	42.3	19%	0.194	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-53.9	-36.1	-177.7	163.9	0	0	0	0	112.8	N83 Q188 E205 I206 P221	N83-V203 PolarHBondContact ND2-O 3.38Å; Q188-V203 HydrophobicContact CB-CG2 4.02Å; Q188-V203 PolarHBondContact O-N 3.11Å; V203-E205 VanDerWaalsContact C-N 3.26Å; V203-E205 PolarHBondContact O-N 3.41Å; V203-I206 WeakPolarHBondContact O-CG1 3.33Å; V203-I206 PolarHBondContact O-N 3.17Å; V203-P221 HydrophobicContact CB-CB 4.47Å; V203-P221 HydrophobicContact CG1-CB 3.85Å; V203-P221 HydrophobicContact CG2-CB 3.96Å
204	A	88.3	Confident	88.8	Confident	45 Å²	45	42 Å²	42	37%	0.372	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-68.4	-15	178.1	0	0	0	0	0	115.2	V84 P202	V84-A204 HydrophobicContact CG2-CB 3.72Å; P202-A204 PolarHBondContact O-N 2.93Å; P202-A204 VanDerWaalsContact O-N 3.12Å
205	E	90	Very high	88.4	Confident	80 Å²	80	46.2 Å²	46.2	37%	0.374	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-94.5	-4.4	-179.3	-69.1	-171.8	-158.9	0	0	114.4	R194 P202 V203	R194-E205 PolarHBondContact NH2-O 2.87Å; P202-E205 HydrophobicContact CB-CG 4.39Å; P202-E205 HydrophobicContact CG-CG 4.37Å; P202-E205 PolarHBondContact O-N 3.17Å; V203-E205 VanDerWaalsContact C-N 3.26Å; V203-E205 PolarHBondContact O-N 3.41Å
206	I	92.4	Very high	87.9	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.237	C	C	.	.			trans	-70.3	138.3	177	-57.6	172.7	0	0	0	109.5	N83 F190 I192 V203 D210 P221 V271	N83-I206 WeakPolarHBondContact CB-O 3.47Å; F190-I206 HydrophobicContact CB-CD1 3.8Å; I192-I206 HydrophobicContact CD1-CD1 4.17Å; I192-I206 HydrophobicContact CD1-CG1 4.16Å; I192-I206 HydrophobicContact CD1-CG2 4.48Å; I192-I206 HydrophobicContact CG1-CG1 4.35Å; V203-I206 WeakPolarHBondContact O-CG1 3.33Å; V203-I206 PolarHBondContact O-N 3.17Å; I206-D210 HydrophobicContact CG2-CB 4.31Å; I206-P221 HydrophobicContact CD1-CB 3.83Å; I206-P221 HydrophobicContact CD1-CG 3.55Å; I206-V271 HydrophobicContact CG2-CG1 4.24Å; I206-V271 HydrophobicContact CG2-CG2 3.93Å
207	V	94	Very high	87.5	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.006	22%	0.215	C	C	.	.			trans	-130.5	160.8	179.7	-60.6	0	0	0	0	112.2	L66 L73 R76 R77 G209 D210	L66-V207 HydrophobicContact CD1-CG2 3.78Å; L73-V207 HydrophobicContact CD2-CG2 3.69Å; R76-V207 HydrophobicContact CB-CB 4.2Å; R76-V207 HydrophobicContact CB-CG2 4.35Å; R77-V207 HydrophobicContact CG-CG1 3.83Å; V207-G209 PolarHBondContact O-N 2.87Å; V207-D210 WeakPolarHBondContact CG2-OD2 3.42Å; V207-D210 PolarHBondContact N-OD2 3.4Å; V207-D210 WeakPolarHBondContact O-CB 3.26Å; V207-D210 PolarHBondContact O-N 2.9Å
208	V	93.9	Very high	87.4	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.012	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	128.2	175.3	174.9	0	0	0	0	110.8	L29 L58 R76 F80 T272 V274	L29-V208 HydrophobicContact CD1-CG1 3.88Å; L58-V208 HydrophobicContact CD1-CG1 4.47Å; L58-V208 HydrophobicContact CD2-CG1 4.11Å; R76-V208 WeakPolarHBondContact CD-O 3.32Å; R76-V208 PolarHBondContact NH1-O 2.88Å; F80-V208 HydrophobicContact CB-CB 3.91Å; F80-V208 HydrophobicContact CB-CG2 3.65Å; F80-V208 HydrophobicContact CD1-CB 4.28Å; F80-V208 HydrophobicContact CD1-CG1 4.07Å; F80-V208 HydrophobicContact CD1-CG2 4.4Å; F80-V208 HydrophobicContact CD2-CB 4Å; F80-V208 HydrophobicContact CD2-CG1 4.27Å; F80-V208 HydrophobicContact CE1-CG1 4.31Å; F80-V208 HydrophobicContact CE2-CG1 4.49Å; F80-V208 HydrophobicContact CG-CB 3.81Å; F80-V208 HydrophobicContact CG-CG1 4.07Å; F80-V208 HydrophobicContact CG-CG2 4.02Å; V208-T272 WeakPolarHBondContact CG2-O 3.32Å; V208-V274 HydrophobicContact CG2-CG1 4.17Å; V208-V274 HydrophobicContact CG2-CG2 4.09Å
209	G	90.9	Very high	87.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	-2.8	-169.4	0	0	0	0	0	115.1	T60 L66 V207 V271	T60-G209 WeakPolarHBondContact CG2-O 3.42Å; T60-G209 PolarHBondContact OG1-O 2.82Å; L66-G209 WeakPolarHBondContact CD2-O 3.45Å; L66-G209 WeakPolarHBondContact CG-O 3.5Å; V207-G209 PolarHBondContact O-N 2.87Å; G209-V271 PolarHBondContact N-O 2.63Å
210	D	93.9	Very high	87.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.			trans	-63.6	146.9	165.1	-86.9	-43.6	0	0	0	111.2	I192 R194 I206 V207 V271	I192-D210 HydrophobicContact CG2-CB 3.88Å; R194-D210 IonicContact CZ-OD1 2.74Å; R194-D210 IonicContact CZ-OD2 3.19Å; R194-D210 IonicContact NE-OD1 3.66Å; R194-D210 PolarHBondContact NE-OD1 3.38Å; R194-D210 IonicContact NE-OD2 2.7Å; R194-D210 VanDerWaalsContact NH2-CG 3.31Å; R194-D210 IonicContact NH2-OD1 2.67Å; R194-D210 PolarHBondContact NH2-OD1 2.76Å; R194-D210 VanDerWaalsContact NH2-OD1 3.12Å; R194-D210 IonicContact NH2-OD2 3.51Å; R194-D210 PolarHBondContact NH2-OD2 3.34Å; I206-D210 HydrophobicContact CG2-CB 4.31Å; V207-D210 WeakPolarHBondContact CG2-OD2 3.42Å; V207-D210 PolarHBondContact N-OD2 3.4Å; V207-D210 WeakPolarHBondContact O-CB 3.26Å; V207-D210 PolarHBondContact O-N 2.9Å; D210-V271 HydrophobicContact CB-CB 4.46Å; D210-V271 HydrophobicContact CB-CG2 4.12Å; D210-V271 PolarHBondContact O-N 3.33Å
211	I	93.6	Very high	88.1	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	104	171.8	-58.6	-64	0	0	0	108.3	T60 I192 I193 I227 M269 V270	T60-I211 HydrophobicContact CG2-CD1 3.73Å; T60-I211 HydrophobicContact CG2-CG1 3.86Å; I192-I211 CarbonylContact C-O 3.1Å; I192-I211 WeakPolarHBondContact CA-O 3.46Å; I193-I211 HydrophobicContact CB-CB 4.31Å; I193-I211 HydrophobicContact CB-CG2 4.36Å; I193-I211 HydrophobicContact CD1-CG2 4.19Å; I193-I211 PolarHBondContact N-O 2.98Å; I211-I227 HydrophobicContact CD1-CD1 3.53Å; I211-M269 CarbonylContact C-O 3.41Å; I211-M269 WeakPolarHBondContact CA-O 3.27Å; I211-V270 HydrophobicContact CD1-CB 3.92Å; I211-V270 HydrophobicContact CD1-CG2 4.24Å
212	A	92.9	Very high	88.3	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	130.7	178.2	0	0	0	0	0	110.5	F190 I192 R268 M269 V271	F190-A212 HydrophobicContact CD1-CB 4.09Å; F190-A212 HydrophobicContact CE1-CB 3.97Å; I192-A212 HydrophobicContact CD1-CB 3.72Å; A212-R268 WeakPolarHBondContact O-CA 3.34Å; A212-M269 HydrophobicContact CB-CE 3.83Å; A212-M269 HydrophobicContact CB-CG 3.84Å; A212-M269 PolarHBondContact N-O 2.94Å; A212-M269 PolarHBondContact O-N 3.38Å; A212-V271 HydrophobicContact CB-CG2 4.33Å
213	Q	89.7	Confident	88.6	Confident	69 Å²	69	22.9 Å²	22.9	32%	0.322	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	114.5	171.7	-178	172.9	-4.5	0	0	108.8	F190 S191 L198	F190-Q213 WeakPolarHBondContact CE1-O 3.31Å; S191-Q213 PolarHBondContact O-N 2.87Å; L198-Q213 HydrophobicContact CD1-CB 4.05Å
214	V	89.2	Confident	88.7	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	138	-176.7	-58.8	0	0	0	0	110.6	F190 L220 L232 V262 S266 G267 M269	F190-V214 HydrophobicContact CE1-CG1 4.13Å; F190-V214 HydrophobicContact CZ-CG1 4.04Å; V214-L220 HydrophobicContact CB-CD2 4.27Å; V214-L220 HydrophobicContact CG1-CD2 3.59Å; V214-L232 HydrophobicContact CG2-CD1 4.29Å; V214-L232 HydrophobicContact CG2-CD2 4.31Å; V214-V262 HydrophobicContact CB-CG2 4.43Å; V214-S266 CarbonylContact O-C 3.46Å; V214-S266 WeakPolarHBondContact O-CA 3.26Å; V214-S266 WeakPolarHBondContact O-CB 3.38Å; V214-G267 PolarHBondContact N-O 3.4Å; V214-G267 PolarHBondContact O-N 2.99Å; V214-M269 HydrophobicContact CG1-CE 4.27Å; V214-M269 HydrophobicContact CG1-CG 4.21Å; V214-M269 HydrophobicContact CG1-SD 3.98Å
215	K	82	Confident	89	Confident	108 Å²	108	19.2 Å²	19.2	47%	0.47	9%	0.088	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	162.2	177.9	52.9	163.1	-169.6	179.4	0	110.1	G217 D218 V262	K215-G217 PolarHBondContact O-N 3.25Å; K215-D218 WeakPolarHBondContact CE-OD1 3.39Å; K215-D218 WeakPolarHBondContact CG-OD1 3.31Å; K215-D218 WeakPolarHBondContact CG-OD2 3.44Å; K215-D218 PolarHBondContact N-OD2 2.9Å; K215-D218 IonicContact NZ-OD1 2.66Å; K215-D218 WeakPolarHBondContact O-CB 3.36Å; K215-D218 PolarHBondContact O-N 2.88Å; K215-V262 WeakPolarHBondContact O-CB 3.31Å; K215-V262 WeakPolarHBondContact O-CG1 3.49Å
216	Y	77.3	Confident	89	Confident	86 Å²	86	15.4 Å²	15.4	34%	0.337	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.2	127.8	166.2	169.7	-110.1	0	0	0	112.9	M263 G265 T787	Y216-M263 WeakPolarHBondContact CD2-O 3.27Å; Y216-M263 WeakPolarHBondContact CE2-O 3.19Å; Y216-G265 PolarHBondContact N-O 2.78Å; Y216-T787 HydrophobicContact CD2-CG2 4.44Å; Y216-T787 HydrophobicContact CE2-CG2 3.69Å; Y216-T787 WeakPolarHBondContact CE2-OG1 3.44Å; Y216-T787 PolarHBondContact OH-N 3.26Å; Y216-T787 PolarHBondContact OH-OG1 2.87Å
217	G	69.5	Low	88.8	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.01	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-1.9	177.2	0	0	0	0	0	116.3	K215 V262 D808	K215-G217 PolarHBondContact O-N 3.25Å; G217-V262 PolarHBondContact N-O 2.92Å; G217-D808 PolarHBondContact O-N 2.59Å
218	D	81.4	Confident	88.4	Confident	5 Å²	5	21.6 Å²	21.6	3%	0.027	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-75.1	142.2	173.9	-73.3	-16.2	0	0	0	112.1	F190 K215 V262	F190-D218 HydrophobicContact CE2-CB 3.82Å; F190-D218 HydrophobicContact CZ-CB 3.93Å; F190-D218 WeakPolarHBondContact CZ-OD2 3.28Å; K215-D218 WeakPolarHBondContact CE-OD1 3.39Å; K215-D218 WeakPolarHBondContact CG-OD1 3.31Å; K215-D218 WeakPolarHBondContact CG-OD2 3.44Å; K215-D218 PolarHBondContact N-OD2 2.9Å; K215-D218 IonicContact NZ-OD1 2.66Å; K215-D218 WeakPolarHBondContact O-CB 3.36Å; K215-D218 PolarHBondContact O-N 2.88Å; D218-V262 HydrophobicContact CB-CG2 4.25Å; D218-V262 PolarHBondContact O-N 3.1Å
219	L	84.9	Confident	87.9	Confident	34 Å²	34	22.9 Å²	22.9	18%	0.178	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-89	125.6	159.5	166.2	63.4	0	0	0	108.5	F190 P221 D808	F190-L219 VanDerWaalsContact CE2-O 3.27Å; F190-L219 WeakPolarHBondContact CE2-O 3.46Å; L219-P221 WeakPolarHBondContact O-CD 3.4Å; L219-D808 HydrophobicContact CB-CB 3.9Å
220	L	90.3	Very high	87.3	Confident	1 Å²	1	28 Å²	28	1%	0.005	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-71.8	121.9	-179.9	-65.2	-166.3	0	0	0	111.3	F190 V214 I234 L256 L257 S258 G259 T260 V262 M269	F190-L220 HydrophobicContact CZ-CD2 4.49Å; V214-L220 HydrophobicContact CB-CD2 4.27Å; V214-L220 HydrophobicContact CG1-CD2 3.59Å; L220-I234 HydrophobicContact CD1-CD1 4.04Å; L220-L256 HydrophobicContact CD1-CB 3.88Å; L220-L256 HydrophobicContact CD1-CD2 4.38Å; L220-L257 WeakPolarHBondContact CB-O 3.34Å; L220-S258 WeakPolarHBondContact O-CA 3.4Å; L220-G259 PolarHBondContact O-N 2.71Å; L220-T260 PolarHBondContact N-O 2.75Å; L220-V262 HydrophobicContact CD2-CG2 3.84Å; L220-V262 HydrophobicContact CG-CG2 4.33Å; L220-M269 HydrophobicContact CD2-CE 4.39Å
221	P	89.7	Confident	86.5	Confident	14 Å²	14	33 Å²	33	9%	0.091	17%	0.168	C	C	.	.			trans	-90.6	-6.7	-169.2	37.1	-39.5	0	0	0	114.5	N83 F190 V203 I206 L219	N83-P221 PolarHBondContact ND2-O 2.97Å; N83-P221 PolarHBondContact OD1-O 3.17Å; F190-P221 HydrophobicContact CB-CG 4.15Å; F190-P221 HydrophobicContact CD1-CG 4.18Å; F190-P221 HydrophobicContact CD2-CB 4.36Å; F190-P221 HydrophobicContact CD2-CG 3.72Å; F190-P221 HydrophobicContact CE2-CG 4.21Å; F190-P221 HydrophobicContact CG-CG 3.71Å; V203-P221 HydrophobicContact CB-CB 4.47Å; V203-P221 HydrophobicContact CG1-CB 3.85Å; V203-P221 HydrophobicContact CG2-CB 3.96Å; I206-P221 HydrophobicContact CD1-CB 3.83Å; I206-P221 HydrophobicContact CD1-CG 3.55Å; L219-P221 WeakPolarHBondContact O-CD 3.4Å
222	A	92.9	Very high	85.8	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-163.9	159.7	-173.5	0	0	0	0	0	108.6	V271 V274	A222-V271 HydrophobicContact CB-CG1 3.74Å; A222-V274 HydrophobicContact CB-CG1 4.04Å
223	D	93.4	Very high	85.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	148.4	173.1	-62.5	-18.1	0	0	0	110.1	M33 L256 S258 T272 A273 S278 Q279	M33-D223 HydrophobicContact CB-CB 4.41Å; M33-D223 HydrophobicContact CG-CB 3.78Å; M33-D223 HydrophobicContact SD-CB 3.82Å; D223-L256 CarbonylContact C-O 3.55Å; D223-L256 WeakPolarHBondContact CA-O 3.16Å; D223-S258 WeakPolarHBondContact OD1-CB 3.45Å; D223-S258 PolarHBondContact OD1-N 3.28Å; D223-T272 PolarHBondContact O-N 2.99Å; D223-T272 PolarHBondContact O-OG1 3.13Å; D223-A273 HydrophobicContact CB-CB 4.15Å; D223-A273 PolarHBondContact N-O 2.83Å; D223-A273 PolarHBondContact O-N 3.06Å; D223-S278 WeakPolarHBondContact OD2-CA 3.41Å; D223-S278 WeakPolarHBondContact OD2-CB 3.48Å; D223-Q279 PolarHBondContact OD2-N 3.01Å
224	G	93.4	Very high	84.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	178	-178.3	0	0	0	0	0	115.1	L256 V270 T272	G224-L256 PolarHBondContact N-O 3.01Å; G224-L256 PolarHBondContact O-N 3.34Å; G224-V270 CarbonylContact C-O 3.58Å; G224-V270 WeakPolarHBondContact CA-O 3.41Å; G224-T272 WeakPolarHBondContact CA-OG1 3.45Å; G224-T272 PolarHBondContact N-OG1 3.16Å
225	I	92.8	Very high	84.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.8	-179.5	-53.4	-174.4	0	0	0	110.2	L32 M33 I44 V51 L54 I227 P254 M255 M269 V270 T272	L32-I225 HydrophobicContact CD2-CD1 3.74Å; L32-I225 HydrophobicContact CG-CD1 4.47Å; M33-I225 HydrophobicContact CE-CD1 3.86Å; M33-I225 HydrophobicContact CE-CG1 3.81Å; I44-I225 HydrophobicContact CD1-CD1 4.04Å; I44-I225 HydrophobicContact CD1-CG2 4.18Å; I44-I225 HydrophobicContact CG1-CD1 4.34Å; V51-I225 HydrophobicContact CG1-CG2 4.19Å; V51-I225 HydrophobicContact CG2-CG2 3.96Å; L54-I225 HydrophobicContact CD2-CD1 3.61Å; I225-I227 PolarHBondContact O-N 3.2Å; I225-P254 WeakPolarHBondContact CA-O 3.41Å; I225-P254 HydrophobicContact CG2-CB 4.1Å; I225-P254 HydrophobicContact CG2-CG 4.38Å; I225-M255 HydrophobicContact CB-CE 4.31Å; I225-M255 HydrophobicContact CD1-CE 3.91Å; I225-M255 HydrophobicContact CG1-CE 3.7Å; I225-M255 HydrophobicContact CG2-CE 3.96Å; I225-M269 CarbonylContact O-C 3.59Å; I225-M269 WeakPolarHBondContact O-CA 3.44Å; I225-M269 WeakPolarHBondContact O-CB 3.2Å; I225-V270 HydrophobicContact CB-CG1 4.14Å; I225-V270 PolarHBondContact N-O 3.17Å; I225-V270 PolarHBondContact O-N 3.26Å; I225-T272 HydrophobicContact CD1-CG2 4Å; I225-T272 HydrophobicContact CG1-CG2 3.87Å
226	L	91.8	Very high	83.9	Confident	1 Å²	1	29 Å²	29	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	124.4	178.1	-169.5	69.6	0	0	0	111.3	Q228 L232 K248 L250 P254 L256	L226-Q228 VanDerWaalsContact CD1-O 3.24Å; L226-Q228 WeakPolarHBondContact CD1-O 3.24Å; L226-L232 HydrophobicContact CD1-CD2 3.67Å; L226-K248 HydrophobicContact CD2-CB 4.5Å; L226-L250 VanDerWaalsContact O-CD2 3.29Å; L226-L250 WeakPolarHBondContact O-CD2 3.43Å; L226-P254 HydrophobicContact CB-CB 3.91Å; L226-P254 WeakPolarHBondContact CB-O 3.29Å; L226-P254 PolarHBondContact N-O 2.88Å; L226-L256 HydrophobicContact CB-CD1 3.92Å; L226-L256 HydrophobicContact CB-CG 4.47Å; L226-L256 HydrophobicContact CD1-CD1 4.02Å
227	I	88.3	Confident	83.4	Confident	30 Å²	30	26.5 Å²	26.5	15%	0.154	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-36.2	175.1	-52.8	171.7	0	0	0	110.2	V51 P62 I211 I225 R268 V270	V51-I227 HydrophobicContact CG1-CG1 4.06Å; P62-I227 HydrophobicContact CB-CG2 4.26Å; I211-I227 HydrophobicContact CD1-CD1 3.53Å; I225-I227 PolarHBondContact O-N 3.2Å; I227-R268 PolarHBondContact N-O 3.18Å; I227-V270 HydrophobicContact CD1-CB 4.05Å; I227-V270 HydrophobicContact CD1-CG1 4.45Å; I227-V270 HydrophobicContact CG1-CG1 4.44Å
228	Q	85.3	Confident	83	Confident	101 Å²	101	30.3 Å²	30.3	47%	0.472	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	136.6	-178.2	-173.7	-178.9	23.4	0	0	108.2	L226 G267 R268	L226-Q228 VanDerWaalsContact CD1-O 3.24Å; L226-Q228 WeakPolarHBondContact CD1-O 3.24Å; Q228-G267 CarbonylContact O-C 3.59Å; Q228-G267 WeakPolarHBondContact O-CA 3.46Å; Q228-R268 HydrophobicContact CB-CB 4.46Å; Q228-R268 PolarHBondContact N-O 3.02Å; Q228-R268 PolarHBondContact O-N 3.4Å
229	G	81.9	Confident	82.4	Confident	30 Å²	30	32.2 Å²	32.2	31%	0.309	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	139.2	178.9	0	0	0	0	0	113	S266	G229-S266 WeakPolarHBondContact CA-O 3.49Å
230	N	80.1	Confident	81.5	Confident	106 Å²	106	33.9 Å²	33.9	57%	0.567	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	102.9	176.4	-67.9	-26.1	0	0	0	108.3	L232 G265 S266	N230-L232 PolarHBondContact O-N 2.87Å; N230-L232 VanDerWaalsContact O-N 3.11Å; N230-G265 VanDerWaalsContact O-CA 3.26Å; N230-G265 WeakPolarHBondContact O-CA 3.22Å; N230-S266 PolarHBondContact N-O 3.19Å; N230-S266 PolarHBondContact O-N 2.93Å
231	D	75.6	Confident	79.5	Confident	107 Å²	107	36.8 Å²	36.8	57%	0.572	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	44.5	41	-178.6	-78.2	-51.6	0	0	0	115	K233 K247	D231-K233 PolarHBondContact O-N 2.88Å; D231-K247 WeakPolarHBondContact OD1-CE 3.17Å; D231-K247 IonicContact OD1-NZ 2.98Å; D231-K247 PolarHBondContact OD1-NZ 3.23Å
232	L	78.7	Confident	77.9	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	124.8	-178.6	-167.5	69.1	0	0	0	111.3	V214 L226 N230 I234 K248 L256 V262 E264	V214-L232 HydrophobicContact CG2-CD1 4.29Å; V214-L232 HydrophobicContact CG2-CD2 4.31Å; L226-L232 HydrophobicContact CD1-CD2 3.67Å; N230-L232 PolarHBondContact O-N 2.87Å; N230-L232 VanDerWaalsContact O-N 3.11Å; L232-I234 HydrophobicContact CD2-CD1 4.4Å; L232-I234 HydrophobicContact CG-CG1 4.44Å; L232-K248 HydrophobicContact CD2-CB 4.21Å; L232-K248 HydrophobicContact CG-CB 4.49Å; L232-K248 PolarHBondContact O-N 2.91Å; L232-L256 HydrophobicContact CD2-CD2 3.88Å; L232-V262 HydrophobicContact CD1-CG1 3.52Å; L232-E264 WeakPolarHBondContact CA-O 3.15Å
233	K	79.3	Confident	75.9	Confident	55 Å²	55	47.2 Å²	47.2	24%	0.239	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.8	170.1	-55.8	179.9	-170.4	157.8	0	110.5	D231 H245 V246 K247 M263 E264	D231-K233 PolarHBondContact O-N 2.88Å; K233-H245 HydrophobicContact CB-CB 4.3Å; K233-H245 HydrophobicContact CD-CB 4.32Å; K233-V246 WeakPolarHBondContact CA-O 3.48Å; K233-K247 HydrophobicContact CG-CB 4.32Å; K233-K247 HydrophobicContact CG-CG 4.48Å; K233-M263 PolarHBondContact O-N 2.81Å; K233-E264 HydrophobicContact CB-CB 4.06Å; K233-E264 HydrophobicContact CD-CB 4.09Å; K233-E264 HydrophobicContact CD-CG 4.18Å; K233-E264 WeakPolarHBondContact CE-OE2 3.41Å; K233-E264 HydrophobicContact CG-CB 4.14Å; K233-E264 PolarHBondContact N-O 3.07Å; K233-E264 IonicContact NZ-OE1 3.65Å; K233-E264 PolarHBondContact NZ-OE1 2.95Å; K233-E264 IonicContact NZ-OE2 3.52Å; K233-E264 PolarHBondContact NZ-OE2 3.01Å; K233-E264 PolarHBondContact O-N 2.83Å
234	I	81.4	Confident	74.1	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.6	-173.8	-62.5	-170.4	0	0	0	110.1	L220 L232 E236 H245 V246 K248 L256 T260 H261 V262	L220-I234 HydrophobicContact CD1-CD1 4.04Å; L232-I234 HydrophobicContact CD2-CD1 4.4Å; L232-I234 HydrophobicContact CG-CG1 4.44Å; I234-E236 HydrophobicContact CG2-CG 3.86Å; I234-H245 CarbonylContact O-C 3.52Å; I234-V246 PolarHBondContact N-O 2.95Å; I234-V246 PolarHBondContact O-N 3.31Å; I234-K248 HydrophobicContact CD1-CG 4.01Å; I234-K248 HydrophobicContact CG1-CG 4.18Å; I234-L256 HydrophobicContact CD1-CD2 3.29Å; I234-T260 WeakPolarHBondContact CG2-OG1 3.45Å; I234-H261 VanDerWaalsContact CA-O 3.3Å; I234-H261 WeakPolarHBondContact CA-O 3.36Å; I234-H261 WeakPolarHBondContact CG2-O 3.24Å; I234-V262 HydrophobicContact CD1-CG2 4.46Å
235	D	75.7	Confident	73.1	Confident	27 Å²	27	58 Å²	58	14%	0.144	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113.4	166	173	10.7	0	0	0	108.8	S237 T260 H261 M263	D235-S237 WeakPolarHBondContact OD1-CB 3.24Å; D235-S237 PolarHBondContact OD1-N 2.71Å; D235-S237 PolarHBondContact OD1-OG 3.43Å; D235-S237 PolarHBondContact OD2-OG 2.74Å; D235-T260 WeakPolarHBondContact O-CB 3.43Å; D235-H261 PolarHBondContact N-O 3.15Å; D235-H261 PolarHBondContact O-N 3.38Å; D235-M263 HydrophobicContact CB-CG 3.55Å; D235-M263 HydrophobicContact CB-SD 4.32Å
236	E	78.9	Confident	72.5	Confident	10 Å²	10	60.3 Å²	60.3	5%	0.047	35%	0.35	C	S	.	.			trans	-102.4	8.5	179.1	-56	-163.5	129.4	0	0	112.5	I234 S238 L239 T240 V246 K248 T260	I234-E236 HydrophobicContact CG2-CG 3.86Å; E236-S238 PolarHBondContact O-N 2.98Å; E236-S238 VanDerWaalsContact O-N 3.07Å; E236-L239 PolarHBondContact O-N 3.36Å; E236-T240 HydrophobicContact CB-CG2 4.18Å; E236-T240 PolarHBondContact O-N 3.12Å; E236-T240 PolarHBondContact O-OG1 2.85Å; E236-V246 HydrophobicContact CG-CG2 4.22Å; E236-K248 VanDerWaalsContact OE1-CE 3.23Å; E236-K248 WeakPolarHBondContact OE1-CE 3.28Å; E236-K248 IonicContact OE1-NZ 3.71Å; E236-K248 PolarHBondContact OE1-NZ 2.87Å; E236-K248 IonicContact OE2-NZ 2.8Å; E236-K248 PolarHBondContact OE2-NZ 3.46Å; E236-T260 HydrophobicContact CB-CG2 4.23Å; E236-T260 HydrophobicContact CG-CG2 4.11Å
237	S	65.7	Low	72.1	Confident	33 Å²	33	65.4 Å²	65.4	23%	0.231	37%	0.373	C	S	.	.	H	α-helix	trans	-56.8	-29	-174.3	61.9	0	0	0	0	114.2	D235 L239 G241 E242	D235-S237 WeakPolarHBondContact OD1-CB 3.24Å; D235-S237 PolarHBondContact OD1-N 2.71Å; D235-S237 PolarHBondContact OD1-OG 3.43Å; D235-S237 PolarHBondContact OD2-OG 2.74Å; S237-L239 PolarHBondContact O-N 2.9Å; S237-G241 VanDerWaalsContact O-CA 3.29Å; S237-G241 WeakPolarHBondContact O-CA 3.45Å; S237-G241 PolarHBondContact O-N 2.9Å; S237-E242 VanDerWaalsContact CA-O 3.26Å; S237-E242 WeakPolarHBondContact CA-O 3.5Å; S237-E242 VanDerWaalsContact CB-O 3.24Å; S237-E242 WeakPolarHBondContact CB-O 3.36Å
238	S	61.7	Low	72	Confident	81 Å²	81	64.2 Å²	64.2	57%	0.566	37%	0.366	S	S	*	.	H	α-helix	trans	-65.7	-14.4	174.8	-66.1	0	0	0	0	113.9	E236	E236-S238 PolarHBondContact O-N 2.98Å; E236-S238 VanDerWaalsContact O-N 3.07Å
239	L	68.3	Low	72	Confident	45 Å²	45	61 Å²	61	24%	0.236	36%	0.355	C	S	.	.	H	α-helix	trans	-119.2	-36.4	177.8	-61.3	179	0	0	0	113	E236 S237 L257 T260 T280 I283	E236-L239 PolarHBondContact O-N 3.36Å; S237-L239 PolarHBondContact O-N 2.9Å; L239-L257 HydrophobicContact CD1-CB 3.65Å; L239-L257 HydrophobicContact CD1-CD1 3.73Å; L239-L257 HydrophobicContact CD1-CG 4.32Å; L239-T260 HydrophobicContact CD1-CG2 3.64Å; L239-T260 HydrophobicContact CG-CG2 4.17Å; L239-T280 HydrophobicContact CD2-CG2 4.42Å; L239-I283 HydrophobicContact CD2-CD1 3.88Å
240	T	66.4	Low	72	Confident	69 Å²	69	63 Å²	63	42%	0.423	36%	0.358	S	S	.	.	H	α-helix	trans	-97.3	-24.5	-176.9	61.2	0	0	0	0	113.9	E236 E242	E236-T240 HydrophobicContact CB-CG2 4.18Å; E236-T240 PolarHBondContact O-N 3.12Å; E236-T240 PolarHBondContact O-OG1 2.85Å; T240-E242 PolarHBondContact O-N 2.98Å; T240-E242 PolarHBondContact OG1-N 3.2Å; T240-E242 VanDerWaalsContact OG1-N 3.09Å
241	G	48.5	Very low	72	Confident	61 Å²	61	64.5 Å²	64.5	63%	0.629	37%	0.366	S	S	*	.	S	Bend	trans	76.9	-5.2	-165.8	0	0	0	0	0	114.7	S237	S237-G241 VanDerWaalsContact O-CA 3.29Å; S237-G241 WeakPolarHBondContact O-CA 3.45Å; S237-G241 PolarHBondContact O-N 2.9Å
242	E	56.8	Low	72.2	Confident	138 Å²	138	66.8 Å²	66.8	65%	0.645	37%	0.371	S	S	*	.			trans	-91.4	125.5	179.3	-61.6	-177.5	155.2	0	0	110.3	S237 T240 D244	S237-E242 VanDerWaalsContact CA-O 3.26Å; S237-E242 WeakPolarHBondContact CA-O 3.5Å; S237-E242 VanDerWaalsContact CB-O 3.24Å; S237-E242 WeakPolarHBondContact CB-O 3.36Å; T240-E242 PolarHBondContact O-N 2.98Å; T240-E242 PolarHBondContact OG1-N 3.2Å; T240-E242 VanDerWaalsContact OG1-N 3.09Å; E242-D244 PolarHBondContact O-N 3.22Å
243	S	49.3	Very low	72.6	Confident	96 Å²	96	67 Å²	67	67%	0.671	37%	0.372	S	S	*	.			trans	-88	6	-174.2	-47.4	0	0	0	0	115.1
244	D	56.6	Low	73.1	Confident	139 Å²	139	64.4 Å²	64.4	74%	0.743	36%	0.361	S	S	*	.	S	Bend	trans	-83.4	137.4	-178.5	-81.4	-35.6	0	0	0	112	E242 V246	E242-D244 PolarHBondContact O-N 3.22Å; D244-V246 PolarHBondContact O-N 3.01Å; D244-V246 VanDerWaalsContact O-N 3.09Å
245	H	72.3	Confident	73.5	Confident	87 Å²	87	64.4 Å²	64.4	40%	0.403	36%	0.361	S	S	.	.			trans	-69.9	105.2	-178.6	-68.2	178.9	0	0	0	111.9	K233 I234 K247 M263	K233-H245 HydrophobicContact CB-CB 4.3Å; K233-H245 HydrophobicContact CD-CB 4.32Å; I234-H245 CarbonylContact O-C 3.52Å; H245-K247 PolarHBondContact O-N 3.32Å; H245-M263 WeakPolarHBondContact NE2-CE 3.25Å
246	V	80.4	Confident	74.3	Confident	48 Å²	48	63.1 Å²	63.1	29%	0.291	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	117.1	178.2	-174.1	0	0	0	0	110	K233 I234 E236 D244 K248	K233-V246 WeakPolarHBondContact CA-O 3.48Å; I234-V246 PolarHBondContact N-O 2.95Å; I234-V246 PolarHBondContact O-N 3.31Å; E236-V246 HydrophobicContact CG-CG2 4.22Å; D244-V246 PolarHBondContact O-N 3.01Å; D244-V246 VanDerWaalsContact O-N 3.09Å; V246-K248 HydrophobicContact CG1-CD 4.09Å; V246-K248 PolarHBondContact O-N 3.46Å
247	K	82.6	Confident	74.9	Confident	109 Å²	109	62.6 Å²	62.6	47%	0.474	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.2	174.4	-177.4	169.8	-176.5	170	0	110.6	D231 K233 H245	D231-K247 WeakPolarHBondContact OD1-CE 3.17Å; D231-K247 IonicContact OD1-NZ 2.98Å; D231-K247 PolarHBondContact OD1-NZ 3.23Å; K233-K247 HydrophobicContact CG-CB 4.32Å; K233-K247 HydrophobicContact CG-CG 4.48Å; H245-K247 PolarHBondContact O-N 3.32Å
248	K	86.1	Confident	76	Confident	4 Å²	4	61.6 Å²	61.6	2%	0.017	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-92.5	136.9	178.6	-57.1	-60.2	-169.8	-178.4	0	110.7	L226 L232 I234 E236 V246 D253 M255 L256	L226-K248 HydrophobicContact CD2-CB 4.5Å; L232-K248 HydrophobicContact CD2-CB 4.21Å; L232-K248 HydrophobicContact CG-CB 4.49Å; L232-K248 PolarHBondContact O-N 2.91Å; I234-K248 HydrophobicContact CD1-CG 4.01Å; I234-K248 HydrophobicContact CG1-CG 4.18Å; E236-K248 VanDerWaalsContact OE1-CE 3.23Å; E236-K248 WeakPolarHBondContact OE1-CE 3.28Å; E236-K248 IonicContact OE1-NZ 3.71Å; E236-K248 PolarHBondContact OE1-NZ 2.87Å; E236-K248 IonicContact OE2-NZ 2.8Å; E236-K248 PolarHBondContact OE2-NZ 3.46Å; V246-K248 HydrophobicContact CG1-CD 4.09Å; V246-K248 PolarHBondContact O-N 3.46Å; K248-D253 WeakPolarHBondContact CA-O 3.29Å; K248-D253 HydrophobicContact CD-CB 4.31Å; K248-D253 WeakPolarHBondContact CD-OD2 3.4Å; K248-D253 IonicContact NZ-OD2 3.53Å; K248-D253 PolarHBondContact NZ-OD2 3.28Å; K248-M255 WeakPolarHBondContact CD-O 3.37Å; K248-M255 WeakPolarHBondContact CE-O 3.27Å; K248-M255 PolarHBondContact NZ-O 2.97Å; K248-L256 HydrophobicContact CG-CD2 4.13Å
249	S	85.1	Confident	77	Confident	33 Å²	33	58.6 Å²	58.6	23%	0.231	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-156.5	156.6	172.7	80.5	0	0	0	0	111.1	D251 K252 D253	S249-D251 PolarHBondContact O-N 3.4Å; S249-D251 VanDerWaalsContact O-N 3.12Å; S249-K252 PolarHBondContact O-N 2.87Å; S249-D253 PolarHBondContact N-O 2.95Å; S249-D253 CarbonylContact O-C 3.57Å; S249-D253 PolarHBondContact O-N 3.08Å
250	L	82	Confident	77.8	Confident	74 Å²	74	56.4 Å²	56.4	39%	0.387	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-32.8	-179.7	-74.1	155.5	0	0	0	113.1	L41 L226	L41-L250 WeakPolarHBondContact CD2-O 3.48Å; L226-L250 VanDerWaalsContact O-CD2 3.29Å; L226-L250 WeakPolarHBondContact O-CD2 3.43Å
251	D	80.3	Confident	78.4	Confident	137 Å²	137	54 Å²	54	73%	0.733	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-8.1	-171.3	-27.9	-95.1	0	0	0	114.7	L41 S249	L41-D251 VanDerWaalsContact CD1-C 3.44Å; S249-D251 PolarHBondContact O-N 3.4Å; S249-D251 VanDerWaalsContact O-N 3.12Å
252	K	81.1	Confident	80	Confident	154 Å²	154	51.1 Å²	51.1	67%	0.67	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	-54.2	-178.5	-86.1	-164.9	172.8	-169	0	113.5	S37 S249	S37-K252 CarbonylContact C-O 3.42Å; S37-K252 VanDerWaalsContact C-O 3.29Å; S37-K252 VanDerWaalsContact CA-O 3.26Å; S37-K252 WeakPolarHBondContact CA-O 3.36Å; S249-K252 PolarHBondContact O-N 2.87Å
253	D	86.9	Confident	80.7	Confident	6 Å²	6	46.2 Å²	46.2	3%	0.032	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-156.9	98.8	-178.2	-171.4	27	0	0	0	109.6	S37 K248 S249 M255	S37-D253 WeakPolarHBondContact CA-OD1 3.39Å; S37-D253 PolarHBondContact N-OD1 2.93Å; K248-D253 WeakPolarHBondContact CA-O 3.29Å; K248-D253 HydrophobicContact CD-CB 4.31Å; K248-D253 WeakPolarHBondContact CD-OD2 3.4Å; K248-D253 IonicContact NZ-OD2 3.53Å; K248-D253 PolarHBondContact NZ-OD2 3.28Å; S249-D253 PolarHBondContact N-O 2.95Å; S249-D253 CarbonylContact O-C 3.57Å; S249-D253 PolarHBondContact O-N 3.08Å; D253-M255 VanDerWaalsContact C-N 3.34Å; D253-M255 WeakPolarHBondContact OD1-CB 3.29Å; D253-M255 PolarHBondContact OD1-N 3.42Å
254	P	89.8	Confident	81.9	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	23%	0.232	C	C	.	.			trans	-91.1	6.3	176.5	34.9	-32.7	0	0	0	112.7	L41 I44 I225 L226	L41-P254 HydrophobicContact CG-CG 4.16Å; I44-P254 HydrophobicContact CD1-CG 4.16Å; I225-P254 WeakPolarHBondContact CA-O 3.41Å; I225-P254 HydrophobicContact CG2-CB 4.1Å; I225-P254 HydrophobicContact CG2-CG 4.38Å; L226-P254 HydrophobicContact CB-CB 3.91Å; L226-P254 WeakPolarHBondContact CB-O 3.29Å; L226-P254 PolarHBondContact N-O 2.88Å
255	M	89.9	Confident	82.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	134.9	-180	-62.5	-61.8	92.7	0	0	111.6	M33 A40 I44 I225 K248 D253	M33-M255 HydrophobicContact CE-CE 4.21Å; M33-M255 HydrophobicContact CE-SD 3.57Å; M33-M255 VanDerWaalsContact CE-SD 3.57Å; M33-M255 HydrophobicContact SD-SD 4.34Å; A40-M255 HydrophobicContact CB-CE 4.14Å; A40-M255 HydrophobicContact CB-CG 3.8Å; A40-M255 HydrophobicContact CB-SD 3.83Å; I44-M255 HydrophobicContact CD1-CE 3.63Å; I225-M255 HydrophobicContact CB-CE 4.31Å; I225-M255 HydrophobicContact CD1-CE 3.91Å; I225-M255 HydrophobicContact CG1-CE 3.7Å; I225-M255 HydrophobicContact CG2-CE 3.96Å; K248-M255 WeakPolarHBondContact CD-O 3.37Å; K248-M255 WeakPolarHBondContact CE-O 3.27Å; K248-M255 PolarHBondContact NZ-O 2.97Å; D253-M255 VanDerWaalsContact C-N 3.34Å; D253-M255 WeakPolarHBondContact OD1-CB 3.29Å; D253-M255 PolarHBondContact OD1-N 3.42Å
256	L	91.6	Very high	83.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.7	-178.9	-62.3	168.9	0	0	0	107.5	L220 D223 G224 L226 L232 I234 K248 M269	L220-L256 HydrophobicContact CD1-CB 3.88Å; L220-L256 HydrophobicContact CD1-CD2 4.38Å; D223-L256 CarbonylContact C-O 3.55Å; D223-L256 WeakPolarHBondContact CA-O 3.16Å; G224-L256 PolarHBondContact N-O 3.01Å; G224-L256 PolarHBondContact O-N 3.34Å; L226-L256 HydrophobicContact CB-CD1 3.92Å; L226-L256 HydrophobicContact CB-CG 4.47Å; L226-L256 HydrophobicContact CD1-CD1 4.02Å; L232-L256 HydrophobicContact CD2-CD2 3.88Å; I234-L256 HydrophobicContact CD1-CD2 3.29Å; K248-L256 HydrophobicContact CG-CD2 4.13Å; L256-M269 HydrophobicContact CB-SD 3.79Å; L256-M269 HydrophobicContact CD1-CB 3.36Å; L256-M269 HydrophobicContact CD1-CG 4.06Å; L256-M269 HydrophobicContact CD1-SD 3.6Å; L256-M269 HydrophobicContact CG-SD 4.33Å
257	L	90.7	Very high	83.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.			trans	-114	136.3	-165.4	-57.5	177	0	0	0	111.6	L220 L239 T260 Q279	L220-L257 WeakPolarHBondContact CB-O 3.34Å; L239-L257 HydrophobicContact CD1-CB 3.65Å; L239-L257 HydrophobicContact CD1-CD1 3.73Å; L239-L257 HydrophobicContact CD1-CG 4.32Å; L257-T260 HydrophobicContact CB-CG2 3.86Å; L257-T260 WeakPolarHBondContact O-CB 3.44Å; L257-T260 PolarHBondContact O-N 3.33Å; L257-T260 PolarHBondContact O-OG1 3.19Å; L257-Q279 HydrophobicContact CD2-CG 4.08Å
258	S	89.7	Confident	83.9	Confident	12 Å²	12	34.3 Å²	34.3	8%	0.084	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	140.2	169.6	170.9	0	0	0	0	110.7	L220 D223 T260 S278 T280	L220-S258 WeakPolarHBondContact O-CA 3.4Å; D223-S258 WeakPolarHBondContact OD1-CB 3.45Å; D223-S258 PolarHBondContact OD1-N 3.28Å; S258-T260 VanDerWaalsContact C-N 3.3Å; S258-T260 PolarHBondContact O-N 3.08Å; S258-S278 PolarHBondContact OG-OG 3.21Å; S258-T280 WeakPolarHBondContact CB-OG1 3.04Å; S258-T280 PolarHBondContact O-OG1 2.74Å; S258-T280 PolarHBondContact OG-OG1 3.14Å
259	G	81.9	Confident	84.2	Confident	17 Å²	17	34.1 Å²	34.1	18%	0.175	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	10.3	179.9	0	0	0	0	0	115.2	L220	L220-G259 PolarHBondContact O-N 2.71Å
260	T	85.9	Confident	84.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.			trans	-108	158.4	174.1	68.2	0	0	0	0	111.5	L220 I234 D235 E236 L239 L257 S258	L220-T260 PolarHBondContact N-O 2.75Å; I234-T260 WeakPolarHBondContact CG2-OG1 3.45Å; D235-T260 WeakPolarHBondContact O-CB 3.43Å; E236-T260 HydrophobicContact CB-CG2 4.23Å; E236-T260 HydrophobicContact CG-CG2 4.11Å; L239-T260 HydrophobicContact CD1-CG2 3.64Å; L239-T260 HydrophobicContact CG-CG2 4.17Å; L257-T260 HydrophobicContact CB-CG2 3.86Å; L257-T260 WeakPolarHBondContact O-CB 3.44Å; L257-T260 PolarHBondContact O-N 3.33Å; L257-T260 PolarHBondContact O-OG1 3.19Å; S258-T260 VanDerWaalsContact C-N 3.3Å; S258-T260 PolarHBondContact O-N 3.08Å
261	H	79.6	Confident	85.3	Confident	19 Å²	19	29 Å²	29	9%	0.088	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.8	-171.5	-61.8	-57.1	0	0	0	112.7	I234 D235 M263 V809 E812	I234-H261 VanDerWaalsContact CA-O 3.3Å; I234-H261 WeakPolarHBondContact CA-O 3.36Å; I234-H261 WeakPolarHBondContact CG2-O 3.24Å; D235-H261 PolarHBondContact N-O 3.15Å; D235-H261 PolarHBondContact O-N 3.38Å; H261-M263 HydrophobicContact CB-SD 4.41Å; H261-M263 PolarHBondContact O-N 3.25Å; H261-V809 HydrophobicContact CB-CG2 3.84Å; H261-E812 IonicContact CE1-OE2 2.66Å; H261-E812 PolarHBondContact CE1-OE2 3.47Å
262	V	81.4	Confident	85.8	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	103.7	177.4	-174.5	0	0	0	0	110.6	V214 K215 G217 D218 L220 L232 I234	V214-V262 HydrophobicContact CB-CG2 4.43Å; K215-V262 WeakPolarHBondContact O-CB 3.31Å; K215-V262 WeakPolarHBondContact O-CG1 3.49Å; G217-V262 PolarHBondContact N-O 2.92Å; D218-V262 HydrophobicContact CB-CG2 4.25Å; D218-V262 PolarHBondContact O-N 3.1Å; L220-V262 HydrophobicContact CD2-CG2 3.84Å; L220-V262 HydrophobicContact CG-CG2 4.33Å; L232-V262 HydrophobicContact CD1-CG1 3.52Å; I234-V262 HydrophobicContact CD1-CG2 4.46Å
263	M	72.1	Confident	86.4	Confident	34 Å²	34	15.5 Å²	15.5	17%	0.167	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-26.5	-172.8	-66.4	-58.5	-87.9	0	0	114.4	Y216 K233 D235 H245 H261	Y216-M263 WeakPolarHBondContact CD2-O 3.27Å; Y216-M263 WeakPolarHBondContact CE2-O 3.19Å; K233-M263 PolarHBondContact O-N 2.81Å; D235-M263 HydrophobicContact CB-CG 3.55Å; D235-M263 HydrophobicContact CB-SD 4.32Å; H245-M263 WeakPolarHBondContact NE2-CE 3.25Å; H261-M263 HydrophobicContact CB-SD 4.41Å; H261-M263 PolarHBondContact O-N 3.25Å
264	E	73.3	Confident	86.7	Confident	81 Å²	81	15.2 Å²	15.2	38%	0.379	9%	0.09	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158.7	169.3	-66.5	179.2	-134.9	0	0	111.2	L232 K233	L232-E264 WeakPolarHBondContact CA-O 3.15Å; K233-E264 HydrophobicContact CB-CB 4.06Å; K233-E264 HydrophobicContact CD-CB 4.09Å; K233-E264 HydrophobicContact CD-CG 4.18Å; K233-E264 WeakPolarHBondContact CE-OE2 3.41Å; K233-E264 HydrophobicContact CG-CB 4.14Å; K233-E264 PolarHBondContact N-O 3.07Å; K233-E264 IonicContact NZ-OE1 3.65Å; K233-E264 PolarHBondContact NZ-OE1 2.95Å; K233-E264 IonicContact NZ-OE2 3.52Å; K233-E264 PolarHBondContact NZ-OE2 3.01Å; K233-E264 PolarHBondContact O-N 2.83Å
265	G	75.2	Confident	86.6	Confident	28 Å²	28	15.2 Å²	15.2	29%	0.289	9%	0.091	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.5	-160.6	170.9	0	0	0	0	0	115.5	Y216 N230	Y216-G265 PolarHBondContact N-O 2.78Å; N230-G265 VanDerWaalsContact O-CA 3.26Å; N230-G265 WeakPolarHBondContact O-CA 3.22Å
266	S	81.7	Confident	86.5	Confident	45 Å²	45	18 Å²	18	32%	0.315	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	164.6	175.5	55	0	0	0	0	111.5	V214 G229 N230	V214-S266 CarbonylContact O-C 3.46Å; V214-S266 WeakPolarHBondContact O-CA 3.26Å; V214-S266 WeakPolarHBondContact O-CB 3.38Å; G229-S266 WeakPolarHBondContact CA-O 3.49Å; N230-S266 PolarHBondContact N-O 3.19Å; N230-S266 PolarHBondContact O-N 2.93Å
267	G	86.8	Confident	86.3	Confident	10 Å²	10	19.6 Å²	19.6	10%	0.103	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	-169.6	179.9	0	0	0	0	0	115	V214 Q228	V214-G267 PolarHBondContact N-O 3.4Å; V214-G267 PolarHBondContact O-N 2.99Å; Q228-G267 CarbonylContact O-C 3.59Å; Q228-G267 WeakPolarHBondContact O-CA 3.46Å
268	R	90.5	Very high	86.3	Confident	66 Å²	66	19.6 Å²	19.6	25%	0.249	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.3	173.1	-63.7	-178.9	178.1	-150.4	-0.9	109.1	V63 A212 I227 Q228	V63-R268 PolarHBondContact O-NH1 2.67Å; A212-R268 WeakPolarHBondContact O-CA 3.34Å; I227-R268 PolarHBondContact N-O 3.18Å; Q228-R268 HydrophobicContact CB-CB 4.46Å; Q228-R268 PolarHBondContact N-O 3.02Å; Q228-R268 PolarHBondContact O-N 3.4Å
269	M	93.5	Very high	86	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	149.7	176.8	72.2	-179.9	-168.3	0	0	112.6	I211 A212 V214 L220 I225 L256	I211-M269 CarbonylContact C-O 3.41Å; I211-M269 WeakPolarHBondContact CA-O 3.27Å; A212-M269 HydrophobicContact CB-CE 3.83Å; A212-M269 HydrophobicContact CB-CG 3.84Å; A212-M269 PolarHBondContact N-O 2.94Å; A212-M269 PolarHBondContact O-N 3.38Å; V214-M269 HydrophobicContact CG1-CE 4.27Å; V214-M269 HydrophobicContact CG1-CG 4.21Å; V214-M269 HydrophobicContact CG1-SD 3.98Å; L220-M269 HydrophobicContact CD2-CE 4.39Å; I225-M269 CarbonylContact O-C 3.59Å; I225-M269 WeakPolarHBondContact O-CA 3.44Å; I225-M269 WeakPolarHBondContact O-CB 3.2Å; L256-M269 HydrophobicContact CB-SD 3.79Å; L256-M269 HydrophobicContact CD1-CB 3.36Å; L256-M269 HydrophobicContact CD1-CG 4.06Å; L256-M269 HydrophobicContact CD1-SD 3.6Å; L256-M269 HydrophobicContact CG-SD 4.33Å
270	V	94.1	Very high	86	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	129.8	164.6	56.5	0	0	0	0	109.1	L58 I211 G224 I225 I227	L58-V270 HydrophobicContact CD1-CG2 3.99Å; I211-V270 HydrophobicContact CD1-CB 3.92Å; I211-V270 HydrophobicContact CD1-CG2 4.24Å; G224-V270 CarbonylContact C-O 3.58Å; G224-V270 WeakPolarHBondContact CA-O 3.41Å; I225-V270 HydrophobicContact CB-CG1 4.14Å; I225-V270 PolarHBondContact N-O 3.17Å; I225-V270 PolarHBondContact O-N 3.26Å; I227-V270 HydrophobicContact CD1-CB 4.05Å; I227-V270 HydrophobicContact CD1-CG1 4.45Å; I227-V270 HydrophobicContact CG1-CG1 4.44Å
271	V	94.9	Very high	85.8	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	126.3	176.6	177	0	0	0	0	109.9	I206 G209 D210 A212 A222 V274	I206-V271 HydrophobicContact CG2-CG1 4.24Å; I206-V271 HydrophobicContact CG2-CG2 3.93Å; G209-V271 PolarHBondContact N-O 2.63Å; D210-V271 HydrophobicContact CB-CB 4.46Å; D210-V271 HydrophobicContact CB-CG2 4.12Å; D210-V271 PolarHBondContact O-N 3.33Å; A212-V271 HydrophobicContact CB-CG2 4.33Å; A222-V271 HydrophobicContact CB-CG1 3.74Å; V271-V274 HydrophobicContact CG1-CG1 3.62Å
272	T	91.8	Very high	85.9	Confident	2 Å²	2	21.3 Å²	21.3	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-35	-176.1	45.7	0	0	0	0	113.7	L29 M33 L54 V208 D223 G224 I225	L29-T272 HydrophobicContact CD2-CG2 4.39Å; M33-T272 HydrophobicContact CE-CG2 4.42Å; M33-T272 PolarHBondContact SD-OG1 2.98Å; L54-T272 HydrophobicContact CD2-CG2 4.35Å; V208-T272 WeakPolarHBondContact CG2-O 3.32Å; D223-T272 PolarHBondContact O-N 2.99Å; D223-T272 PolarHBondContact O-OG1 3.13Å; G224-T272 WeakPolarHBondContact CA-OG1 3.45Å; G224-T272 PolarHBondContact N-OG1 3.16Å; I225-T272 HydrophobicContact CD1-CG2 4Å; I225-T272 HydrophobicContact CG1-CG2 3.87Å
273	A	92.2	Very high	85.7	Confident	4 Å²	4	24.8 Å²	24.8	3%	0.033	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	142.3	177.4	0	0	0	0	0	112.4	M33 D223 N277	M33-A273 HydrophobicContact CG-CB 4.38Å; D223-A273 HydrophobicContact CB-CB 4.15Å; D223-A273 PolarHBondContact N-O 2.83Å; D223-A273 PolarHBondContact O-N 3.06Å; A273-N277 HydrophobicContact CB-CB 4.47Å
274	V	93.1	Very high	85.5	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.			trans	-133.9	152.7	-169.9	-66.9	0	0	0	0	111.7	N83 V208 A222 V271 V276 N277	N83-V274 HydrophobicContact CB-CB 3.84Å; N83-V274 HydrophobicContact CB-CG1 4.15Å; N83-V274 WeakPolarHBondContact OD1-CA 3.43Å; N83-V274 WeakPolarHBondContact OD1-CB 3.29Å; V208-V274 HydrophobicContact CG2-CG1 4.17Å; V208-V274 HydrophobicContact CG2-CG2 4.09Å; A222-V274 HydrophobicContact CB-CG1 4.04Å; V271-V274 HydrophobicContact CG1-CG1 3.62Å; V274-V276 PolarHBondContact O-N 2.71Å; V274-N277 WeakPolarHBondContact O-CB 3.34Å; V274-N277 PolarHBondContact O-N 2.71Å
275	G	88.4	Confident	85.6	Confident	2 Å²	2	26.3 Å²	26.3	2%	0.021	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	54.7	-131.3	174.8	0	0	0	0	0	112.6	N83 N277 S278 G281	N83-G275 PolarHBondContact OD1-N 3.29Å; G275-N277 PolarHBondContact O-N 2.87Å; G275-N277 VanDerWaalsContact O-N 3.08Å; G275-S278 PolarHBondContact O-N 3.47Å; G275-S278 VanDerWaalsContact O-N 3.12Å; G275-S278 PolarHBondContact O-OG 2.76Å; G275-G281 WeakPolarHBondContact O-CA 3.48Å
276	V	87.1	Confident	85.4	Confident	57 Å²	57	30.9 Å²	30.9	35%	0.345	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-62.1	-12.8	178.5	-61.6	0	0	0	0	115	P86 V274	P86-V276 VanDerWaalsContact CD-CG1 3.49Å; P86-V276 HydrophobicContact CG-CG1 4.29Å; V274-V276 PolarHBondContact O-N 2.71Å
277	N	89.4	Confident	84.4	Confident	34 Å²	34	34.8 Å²	34.8	18%	0.182	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-90.9	-10.9	177.6	-66.8	-39.4	0	0	0	113.4	V26 F80 A273 V274 G275	V26-N277 HydrophobicContact CG1-CB 4.47Å; F80-N277 PolarHBondContact O-ND2 2.73Å; A273-N277 HydrophobicContact CB-CB 4.47Å; V274-N277 WeakPolarHBondContact O-CB 3.34Å; V274-N277 PolarHBondContact O-N 2.71Å; G275-N277 PolarHBondContact O-N 2.87Å; G275-N277 VanDerWaalsContact O-N 3.08Å
278	S	89.6	Confident	82.8	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.007	20%	0.204	C	C	.	.	S	Bend	trans	-77	161.3	174.4	79.4	0	0	0	0	111.8	D223 S258 G275 T280 G281 I282	D223-S278 WeakPolarHBondContact OD2-CA 3.41Å; D223-S278 WeakPolarHBondContact OD2-CB 3.48Å; S258-S278 PolarHBondContact OG-OG 3.21Å; G275-S278 PolarHBondContact O-N 3.47Å; G275-S278 VanDerWaalsContact O-N 3.12Å; G275-S278 PolarHBondContact O-OG 2.76Å; S278-T280 VanDerWaalsContact C-N 3.29Å; S278-T280 PolarHBondContact O-N 3.05Å; S278-G281 PolarHBondContact O-N 3.1Å; S278-G281 PolarHBondContact OG-N 3.28Å; S278-G281 VanDerWaalsContact OG-N 3.14Å; S278-I282 WeakPolarHBondContact O-CD1 3.35Å; S278-I282 VanDerWaalsContact O-CG1 3.29Å; S278-I282 WeakPolarHBondContact O-CG1 3.35Å; S278-I282 PolarHBondContact O-N 3.17Å
279	Q	83.3	Confident	80.7	Confident	25 Å²	25	37.6 Å²	37.6	12%	0.117	22%	0.218	C	C	.	.	H	α-helix	trans	-55.5	-43.3	176.9	-63.4	-60.7	-73.7	0	0	111.9	M33 D223 L257 I282 I283	M33-Q279 HydrophobicContact CB-CG 4.31Å; M33-Q279 WeakPolarHBondContact O-CG 3.48Å; M33-Q279 PolarHBondContact O-NE2 3.47Å; M33-Q279 PolarHBondContact O-OE1 2.95Å; D223-Q279 PolarHBondContact OD2-N 3.01Å; L257-Q279 HydrophobicContact CD2-CG 4.08Å; Q279-I282 PolarHBondContact O-N 3.26Å; Q279-I283 WeakPolarHBondContact O-CD1 3.48Å; Q279-I283 VanDerWaalsContact O-CG1 3.31Å; Q279-I283 WeakPolarHBondContact O-CG1 3.17Å; Q279-I283 PolarHBondContact O-N 2.82Å; Q279-I283 VanDerWaalsContact O-N 3.12Å
280	T	82.3	Confident	77.8	Confident	32 Å²	32	43.6 Å²	43.6	20%	0.196	25%	0.25	C	S	.	.	H	α-helix	trans	-63.3	-42.9	173.9	-16.4	0	0	0	0	111.8	L239 S258 S278 I282 I283 L284	L239-T280 HydrophobicContact CD2-CG2 4.42Å; S258-T280 WeakPolarHBondContact CB-OG1 3.04Å; S258-T280 PolarHBondContact O-OG1 2.74Å; S258-T280 PolarHBondContact OG-OG1 3.14Å; S278-T280 VanDerWaalsContact C-N 3.29Å; S278-T280 PolarHBondContact O-N 3.05Å; T280-I282 VanDerWaalsContact C-N 3.35Å; T280-I282 PolarHBondContact O-N 2.56Å; T280-I283 PolarHBondContact O-N 3.43Å; T280-L284 WeakPolarHBondContact O-CB 3.4Å; T280-L284 PolarHBondContact O-N 2.85Å
281	G	81.1	Confident	75.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.7	-39.3	-179.5	0	0	0	0	0	112.9	G275 S278 T285	G275-G281 WeakPolarHBondContact O-CA 3.48Å; S278-G281 PolarHBondContact O-N 3.1Å; S278-G281 PolarHBondContact OG-N 3.28Å; S278-G281 VanDerWaalsContact OG-N 3.14Å; G281-T285 VanDerWaalsContact O-CB 3.29Å; G281-T285 WeakPolarHBondContact O-CB 3.3Å; G281-T285 PolarHBondContact O-N 3.29Å; G281-T285 PolarHBondContact O-OG1 3.17Å
282	I	81.6	Confident	72.4	Confident	26 Å²	26	58 Å²	58	13%	0.133	32%	0.321	C	S	.	.	H	α-helix	trans	-63	-49.8	174.2	-65.9	159.6	0	0	0	110.1	R30 S278 Q279 T280 T285 L286	R30-I282 HydrophobicContact CG-CD1 4.1Å; R30-I282 VanDerWaalsContact CZ-CD1 3.49Å; S278-I282 WeakPolarHBondContact O-CD1 3.35Å; S278-I282 VanDerWaalsContact O-CG1 3.29Å; S278-I282 WeakPolarHBondContact O-CG1 3.35Å; S278-I282 PolarHBondContact O-N 3.17Å; Q279-I282 PolarHBondContact O-N 3.26Å; T280-I282 VanDerWaalsContact C-N 3.35Å; T280-I282 PolarHBondContact O-N 2.56Å; I282-T285 PolarHBondContact O-N 3.03Å; I282-L286 HydrophobicContact CG2-CD1 4.03Å; I282-L286 WeakPolarHBondContact O-CG 3.47Å; I282-L286 PolarHBondContact O-N 3.14Å
283	I	77.4	Confident	69.6	Low	74 Å²	74	64.9 Å²	64.9	38%	0.379	36%	0.358	S	S	.	.	H	α-helix	trans	-60.8	-47	178.7	-68.5	164.4	0	0	0	111	L239 Q279 T280 T285 L286 L287	L239-I283 HydrophobicContact CD2-CD1 3.88Å; Q279-I283 WeakPolarHBondContact O-CD1 3.48Å; Q279-I283 VanDerWaalsContact O-CG1 3.31Å; Q279-I283 WeakPolarHBondContact O-CG1 3.17Å; Q279-I283 PolarHBondContact O-N 2.82Å; Q279-I283 VanDerWaalsContact O-N 3.12Å; T280-I283 PolarHBondContact O-N 3.43Å; I283-T285 VanDerWaalsContact C-N 3.32Å; I283-T285 PolarHBondContact O-N 3.36Å; I283-L286 PolarHBondContact O-N 2.85Å; I283-L287 HydrophobicContact CG2-CD1 3.75Å; I283-L287 HydrophobicContact CG2-CG 4.4Å; I283-L287 WeakPolarHBondContact O-CB 3.43Å; I283-L287 VanDerWaalsContact O-CG 3.31Å; I283-L287 WeakPolarHBondContact O-CG 3.49Å; I283-L287 PolarHBondContact O-N 3.29Å
284	L	69.1	Low	66.6	Low	96 Å²	96	73 Å²	73	50%	0.503	40%	0.395	S	S	.	.	H	α-helix	trans	-66.8	-33.4	-179.6	-147.2	80.8	0	0	0	112.5	I85 T280 L287 G288	I85-L284 HydrophobicContact CD1-CD2 4.36Å; I85-L284 HydrophobicContact CG2-CD2 3.84Å; T280-L284 WeakPolarHBondContact O-CB 3.4Å; T280-L284 PolarHBondContact O-N 2.85Å; L284-L287 PolarHBondContact O-N 2.84Å; L284-G288 PolarHBondContact O-N 3.34Å
285	T	73.7	Confident	63.6	Low	51 Å²	51	76.5 Å²	76.5	31%	0.313	43%	0.431	S	S	.	.	H	α-helix	trans	-66	-45.1	174.1	-58.6	0	0	0	0	110.9	G281 I282 I283 L287 G288 V289	G281-T285 VanDerWaalsContact O-CB 3.29Å; G281-T285 WeakPolarHBondContact O-CB 3.3Å; G281-T285 PolarHBondContact O-N 3.29Å; G281-T285 PolarHBondContact O-OG1 3.17Å; I282-T285 PolarHBondContact O-N 3.03Å; I283-T285 VanDerWaalsContact C-N 3.32Å; I283-T285 PolarHBondContact O-N 3.36Å; T285-L287 VanDerWaalsContact C-N 3.32Å; T285-L287 PolarHBondContact O-N 3.05Å; T285-G288 PolarHBondContact O-N 2.82Å; T285-V289 HydrophobicContact CG2-CB 4.48Å; T285-V289 HydrophobicContact CG2-CG2 4.04Å; T285-V289 WeakPolarHBondContact O-CB 3.37Å; T285-V289 WeakPolarHBondContact O-CG2 3.42Å; T285-V289 PolarHBondContact O-N 3.21Å
286	L	71.9	Confident	60.8	Low	124 Å²	124	84.9 Å²	84.9	65%	0.649	47%	0.47	S	S	*	.	H	α-helix	trans	-63.3	-36.1	176.4	-71.1	168.1	0	0	0	112.5	I282 I283	I282-L286 HydrophobicContact CG2-CD1 4.03Å; I282-L286 WeakPolarHBondContact O-CG 3.47Å; I282-L286 PolarHBondContact O-N 3.14Å; I283-L286 PolarHBondContact O-N 2.85Å
287	L	61.3	Low	58.1	Low	126 Å²	126	91.5 Å²	91.5	66%	0.66	49%	0.494	S	S	*	.	H	α-helix	trans	-80.2	-17	178.7	-69.9	172.5	0	0	0	114.4	I283 L284 T285	I283-L287 HydrophobicContact CG2-CD1 3.75Å; I283-L287 HydrophobicContact CG2-CG 4.4Å; I283-L287 WeakPolarHBondContact O-CB 3.43Å; I283-L287 VanDerWaalsContact O-CG 3.31Å; I283-L287 WeakPolarHBondContact O-CG 3.49Å; I283-L287 PolarHBondContact O-N 3.29Å; L284-L287 PolarHBondContact O-N 2.84Å; T285-L287 VanDerWaalsContact C-N 3.32Å; T285-L287 PolarHBondContact O-N 3.05Å
288	G	53	Low	55.3	Low	48 Å²	48	99.5 Å²	99.5	50%	0.495	53%	0.527	S	S	.	.	H	α-helix	trans	-128.6	-4.5	-160.6	0	0	0	0	0	118.1	L284 T285	L284-G288 PolarHBondContact O-N 3.34Å; T285-G288 PolarHBondContact O-N 2.82Å
289	V	47.1	Very low	52.5	Low	88 Å²	88	109.1 Å²	109.1	53%	0.533	57%	0.569	S	S	.	*	S	Bend	trans	-119.8	-24.3	-167.3	-178.2	0	0	0	0	115.1	T285	T285-V289 HydrophobicContact CG2-CB 4.48Å; T285-V289 HydrophobicContact CG2-CG2 4.04Å; T285-V289 WeakPolarHBondContact O-CB 3.37Å; T285-V289 WeakPolarHBondContact O-CG2 3.42Å; T285-V289 PolarHBondContact O-N 3.21Å
290	N	31.8	Very low	50	Low	126 Å²	126	118.4 Å²	118.4	67%	0.674	61%	0.608	S	S	*	*	S	Bend	trans	-93.9	-0.4	-168	-75.4	-2.9	0	0	0	116.7
291	E	39.4	Very low	47.3	Very low	183 Å²	183	120.5 Å²	120.5	86%	0.855	64%	0.637	S	S	*	*	S	Bend	trans	-75.6	-22.1	-175.7	-68.3	-165.4	130.3	0	0	114.7
292	D	36.3	Very low	44.7	Very low	118 Å²	118	130.3 Å²	130.3	63%	0.631	68%	0.679	S	S	*	*	S	Bend	trans	-104.3	-15.7	-168.3	-66.1	-46.1	0	0	0	115.6	K88	K88-D292 WeakPolarHBondContact CE-OD2 3.41Å; K88-D292 IonicContact NZ-OD1 2.65Å; K88-D292 IonicContact NZ-OD2 2.83Å; K88-D292 PolarHBondContact NZ-OD2 3.1Å
293	D	33	Very low	42.1	Very low	147 Å²	147	137.4 Å²	137.4	79%	0.786	71%	0.709	S	S	*	*	S	Bend	trans	-104.8	-15.6	-165.2	-120.2	-33.7	0	0	0	116.2	G295	D293-G295 VanDerWaalsContact C-N 3.32Å; D293-G295 PolarHBondContact O-N 2.82Å
294	E	29.9	Very low	39.6	Very low	176 Å²	176	142 Å²	142	82%	0.822	73%	0.729	S	S	*	*	S	Bend	trans	-80.7	-6.6	178.6	-91.1	-82.9	123.4	0	0	113.8
295	G	28.7	Very low	37.4	Very low	72 Å²	72	141 Å²	141	74%	0.742	74%	0.743	S	S	*	*	S	Bend	trans	-69.7	-34.2	-169	0	0	0	0	0	116.5	D293	D293-G295 VanDerWaalsContact C-N 3.32Å; D293-G295 PolarHBondContact O-N 2.82Å
296	E	30.8	Very low	35	Very low	179 Å²	179	145.3 Å²	145.3	84%	0.836	77%	0.768	S	S	*	*	S	Bend	trans	-126.8	72.3	-166.2	-70.8	-143.4	125.4	0	0	115.2
297	K	30.7	Very low	33.5	Very low	196 Å²	196	144.2 Å²	144.2	85%	0.852	77%	0.769	S	S	*	*			trans	-155.7	21.6	165.7	-118.6	146.5	-123.8	155.6	0	120.4
298	K	29.7	Very low	31.7	Very low	201 Å²	201	146.2 Å²	146.2	87%	0.874	78%	0.775	S	S	*	*			trans	-128.1	70.2	177	-73	179.2	-177.5	156.5	0	115.8
299	K	31.2	Very low	30.3	Very low	204 Å²	204	149.8 Å²	149.8	89%	0.887	78%	0.783	S	S	*	*			trans	-141.9	87.5	161.7	-84	-174.4	-179.3	166	0	113.4
300	K	29.4	Very low	29.3	Very low	219 Å²	219	156 Å²	156	95%	0.952	80%	0.796	S	S	*	*			trans	161.6	134.5	155.7	-92.1	157.7	-174	178.4	0	107.2
301	G	26.4	Very low	28.9	Very low	77 Å²	77	157.1 Å²	157.1	79%	0.794	80%	0.802	S	S	*	*			cis	-157.5	-177.9	-3.1	0	0	0	0	0	112
302	K	27.1	Very low	28.2	Very low	205 Å²	205	157.5 Å²	157.5	89%	0.891	80%	0.801	S	S	*	*			trans	-76.7	141.8	-177.2	-64.8	175.9	175.1	178.8	0	112.6
303	K	27.2	Very low	27.6	Very low	176 Å²	176	156 Å²	156	77%	0.765	81%	0.805	S	S	*	*				179.5	135.8	110.8	-100.3	-179.6	168.7	-168.5	0	115.1
304	Q	23.7	Very low	27.2	Very low	169 Å²	169	158.5 Å²	158.5	79%	0.79	81%	0.809	S	S	*	*			trans	41.7	121.4	138.3	-59.7	170.2	-84.5	0	0	120.9
305	G	23.6	Very low	26.9	Very low	77 Å²	77	155.4 Å²	155.4	79%	0.794	80%	0.802	S	S	*	*			trans	164.9	119.4	162	0	0	0	0	0	114.2
306	V	22.3	Very low	26.7	Very low	141 Å²	141	159 Å²	159	86%	0.855	80%	0.8	S	S	*	*			trans	-157.5	147.5	-176.2	171.7	0	0	0	0	106.8
307	P	40.4	Very low	26.3	Very low	101 Å²	101	157.2 Å²	157.2	66%	0.656	80%	0.796	S	S	*	*			cis	-129.8	-167.1	-0.4	34.1	-12.1	0	0	0	115.5
308	E	23.7	Very low	26	Very low	168 Å²	168	151.6 Å²	151.6	79%	0.785	79%	0.794	S	S	*	*			trans	86.7	117.9	136.6	-93.1	-179.4	142	0	0	125.8
309	N	23.8	Very low	25.8	Very low	123 Å²	123	148.8 Å²	148.8	66%	0.658	79%	0.793	S	S	*	*			trans	37.9	122.8	131.3	-92.4	-43.2	0	0	0	123.9
310	R	25.4	Very low	25.4	Very low	219 Å²	219	143.5 Å²	143.5	83%	0.826	79%	0.788	S	S	*	*			trans	48.6	115	135.3	-69.8	175.3	167.4	179.5	-2.3	119.3
311	N	24.3	Very low	25.3	Very low	149 Å²	149	140.9 Å²	140.9	80%	0.797	78%	0.783	S	S	*	*				-163.3	173.8	105.8	-110.4	-55.3	0	0	0	115.9
312	K	24.5	Very low	25.3	Very low	191 Å²	191	145.6 Å²	145.6	83%	0.83	78%	0.784	S	S	*	*			trans	-65.8	169.7	-175.8	-53.8	155	178.5	170.2	0	112.3
313	A	23.2	Very low	25.4	Very low	86 Å²	86	143.8 Å²	143.8	71%	0.711	78%	0.783	S	S	*	*			cis	-158.6	167.9	19.8	0	0	0	0	0	114.2
314	K	25.8	Very low	25.1	Very low	199 Å²	199	143.1 Å²	143.1	87%	0.865	78%	0.782	S	S	*	*			trans	29.4	137.7	137	-73.7	-172	177	-171.1	0	119.7
315	T	23.4	Very low	25.3	Very low	112 Å²	112	140.9 Å²	140.9	69%	0.687	78%	0.783	S	S	*	*			cis	-143.2	-176.6	13.9	42.6	0	0	0	0	110.5
316	Q	23.8	Very low	25.4	Very low	147 Å²	147	145.7 Å²	145.7	69%	0.687	79%	0.789	S	S	*	*			cis	-155.6	-179.9	5.2	-135.4	158.5	-88.5	0	0	112.2
317	D	21.9	Very low	25.5	Very low	142 Å²	142	146.1 Å²	146.1	76%	0.759	79%	0.786	S	S	*	*			trans	34.8	134.3	151.6	-55.2	-30	0	0	0	123
318	G	25.5	Very low	24.9	Very low	78 Å²	78	146.9 Å²	146.9	80%	0.804	79%	0.794	S	S	*	*			trans	135.2	71	168.1	0	0	0	0	0	113.9
319	V	25.3	Very low	25.1	Very low	141 Å²	141	147.4 Å²	147.4	86%	0.855	80%	0.797	S	S	*	*			trans	-79.4	125.3	-177	176.1	0	0	0	0	111.5
320	A	23.1	Very low	25.2	Very low	94 Å²	94	151 Å²	151	78%	0.777	81%	0.81	S	S	*	*			trans	-85.3	149.4	164.5	0	0	0	0	0	110.8
321	L	27.8	Very low	25.2	Very low	163 Å²	163	144 Å²	144	85%	0.853	81%	0.806	S	S	*	*			trans	-124.6	120.4	175.3	-101.6	163.5	0	0	0	109.8
322	E	25.1	Very low	25.2	Very low	176 Å²	176	144.3 Å²	144.3	82%	0.822	81%	0.806	S	S	*	*			trans	-78.1	148.2	173.4	-60.5	177.4	129.7	0	0	110.4
323	I	29.2	Very low	25.1	Very low	168 Å²	168	142.2 Å²	142.2	86%	0.862	80%	0.803	S	S	*	*			trans	-105.2	114.6	174.6	-61.3	175.5	0	0	0	108.7
324	Q	21.3	Very low	25.2	Very low	161 Å²	161	145.1 Å²	145.1	75%	0.752	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-95	139.3	166.7	-63.9	-179.2	4.2	0	0	109.6
325	P	27.8	Very low	25.2	Very low	123 Å²	123	145 Å²	145	80%	0.799	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-72.2	139.8	169.6	30.4	-33	0	0	0	110.6
326	L	24.9	Very low	25.5	Very low	177 Å²	177	149.1 Å²	149.1	93%	0.927	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-80.7	132.7	-178.5	-91.5	155.2	0	0	0	112.2
327	N	25.1	Very low	25.7	Very low	150 Å²	150	151.7 Å²	151.7	80%	0.802	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-78.8	149.5	168.7	-74.8	-34.2	0	0	0	111.6
328	S	27.9	Very low	26.1	Very low	118 Å²	118	152 Å²	152	83%	0.825	83%	0.831	S	S	*	*			trans	-126	111.5	158.8	58.2	0	0	0	0	109.7
329	Q	28.9	Very low	26.3	Very low	179 Å²	179	158.1 Å²	158.1	84%	0.836	84%	0.836	S	S	*	*			trans	-79.4	165.1	166	-73.7	160.1	-38.9	0	0	108.6
330	E	26.1	Very low	26.4	Very low	198 Å²	198	160.3 Å²	160.3	93%	0.925	83%	0.834	S	S	*	*			cis	-133.5	164.8	28.3	-56.3	168	134.8	0	0	111.3
331	G	23.7	Very low	26.6	Very low	72 Å²	72	159.9 Å²	159.9	74%	0.742	83%	0.831	S	S	*	*			trans	-176	-21.1	-177.5	0	0	0	0	0	121.5
332	I	24.3	Very low	26.6	Very low	155 Å²	155	159 Å²	159	80%	0.795	83%	0.831	S	S	*	*			trans	70.8	143.2	171.2	-66.1	176	0	0	0	118
333	D	23.5	Very low	26.6	Very low	147 Å²	147	157.8 Å²	157.8	79%	0.786	82%	0.824	S	S	*	*			trans	71.9	155.6	166.7	-70.9	-24.4	0	0	0	122.2
334	N	24.3	Very low	26.5	Very low	148 Å²	148	155.2 Å²	155.2	79%	0.791	82%	0.815	S	S	*	*			trans	-102.9	146.9	-154.4	-54.3	-84.6	0	0	0	113
335	E	27.3	Very low	26.8	Very low	195 Å²	195	153.2 Å²	153.2	91%	0.911	82%	0.816	S	S	*	*				-160.9	156.8	129	-116.2	171.1	-156.9	0	0	110.8
336	E	28.8	Very low	26.8	Very low	199 Å²	199	156.6 Å²	156.6	93%	0.93	82%	0.818	S	S	*	*			trans	-73.7	141.3	-169.3	-61.1	-174.9	123.6	0	0	112.8
337	K	28.8	Very low	27.5	Very low	202 Å²	202	157.7 Å²	157.7	88%	0.878	82%	0.816	S	S	*	*			trans	-121.8	109	173.6	-85	-176.1	176.5	173.4	0	112.3
338	D	29	Very low	28.5	Very low	147 Å²	147	158.8 Å²	158.8	79%	0.786	82%	0.816	S	S	*	*			trans	-52.4	136.2	166.8	-97.4	-42.2	0	0	0	112.5	K340	D338-K340 VanDerWaalsContact C-N 3.26Å; D338-K340 PolarHBondContact O-N 2.83Å
339	K	29.5	Very low	29.7	Very low	207 Å²	207	158.1 Å²	158.1	90%	0.9	80%	0.798	S	S	*	*			trans	-76	77.2	170	-70.3	-175.3	178.6	179.7	0	110.4	A341	K339-A341 PolarHBondContact O-N 3.19Å
340	K	28	Very low	31.7	Very low	188 Å²	188	150.2 Å²	150.2	82%	0.817	76%	0.763	S	S	*	*			trans	-62.8	101	170.7	-74.1	-174.3	177.1	178.2	0	110.3	D338	D338-K340 VanDerWaalsContact C-N 3.26Å; D338-K340 PolarHBondContact O-N 2.83Å
341	A	28.3	Very low	33.9	Very low	85 Å²	85	142.5 Å²	142.5	70%	0.702	73%	0.729	S	S	*	*			trans	-60.5	141.2	166.6	0	0	0	0	0	110.1	K339 K343	K339-A341 PolarHBondContact O-N 3.19Å; A341-K343 PolarHBondContact O-N 3.11Å
342	V	26.5	Very low	36.4	Very low	143 Å²	143	139.2 Å²	139.2	87%	0.867	69%	0.694	S	S	*	*			trans	-69	96.5	-178.8	-178.7	0	0	0	0	109.7	V344	V342-V344 PolarHBondContact O-N 2.93Å
343	K	25.4	Very low	38.7	Very low	152 Å²	152	135.7 Å²	135.7	66%	0.661	68%	0.675	S	S	*	*			trans	-71.5	110	171	-69.8	-178.9	-179.1	174.7	0	109	A341 D1077	A341-K343 PolarHBondContact O-N 3.11Å; K343-D1077 IonicContact NZ-OD1 3.29Å; K343-D1077 IonicContact NZ-OD2 3.38Å; K343-D1077 PolarHBondContact NZ-OD2 3.12Å
344	V	27.9	Very low	41.1	Very low	113 Å²	113	130.5 Å²	130.5	69%	0.685	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-58.5	130.6	166.7	179.7	0	0	0	0	108.6	V342 K346	V342-V344 PolarHBondContact O-N 2.93Å; V344-K346 PolarHBondContact O-N 3.3Å
345	P	27.4	Very low	43.7	Very low	119 Å²	119	124.1 Å²	124.1	77%	0.773	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-64.1	123.6	-179.9	25.1	-33.6	0	0	0	110.5
346	K	27.9	Very low	46.1	Very low	194 Å²	194	115.1 Å²	115.1	84%	0.843	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-64.9	143	169.5	-72.4	-179.1	177	177	0	109.1	V344 E348	V344-K346 PolarHBondContact O-N 3.3Å; K346-E348 PolarHBondContact O-N 3.45Å
347	K	38.4	Very low	48.3	Very low	201 Å²	201	108.3 Å²	108.3	87%	0.874	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-59.7	122.6	170.3	-68.8	-178	177.3	179.4	0	109.4
348	E	46.4	Very low	50.6	Low	173 Å²	173	103.3 Å²	103.3	81%	0.808	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-63.3	142.2	172.5	-65.1	-174.2	-170.5	0	0	110.1	K346	K346-E348 PolarHBondContact O-N 3.45Å
349	K	54.4	Low	53	Low	103 Å²	103	96.7 Å²	96.7	45%	0.448	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-81.2	137.9	176.1	-59.9	174.9	-172	174.2	0	108.5	D1080 E1083	K349-D1080 IonicContact NZ-OD2 2.68Å; K349-D1080 PolarHBondContact NZ-OD2 2.96Å; K349-E1083 IonicContact NZ-OE2 2.71Å; K349-E1083 PolarHBondContact NZ-OE2 2.91Å
350	S	70	Confident	55.3	Low	14 Å²	14	88.2 Å²	88.2	10%	0.098	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-64.4	154.6	-176.3	-159.2	0	0	0	0	112.8	L352 Q353 G354 D451 E454	S350-L352 PolarHBondContact O-N 3.01Å; S350-Q353 WeakPolarHBondContact O-CB 3.35Å; S350-Q353 PolarHBondContact O-N 2.83Å; S350-G354 PolarHBondContact O-N 2.86Å; S350-D451 WeakPolarHBondContact OG-CB 3.33Å; S350-E454 WeakPolarHBondContact CB-OE2 3.43Å; S350-E454 PolarHBondContact OG-OE2 3.1Å
351	V	72.6	Confident	57.6	Low	36 Å²	36	81.3 Å²	81.3	22%	0.218	43%	0.433	C	S	.	.	H	α-helix	trans	-62.6	-40.8	-169.9	-175.5	0	0	0	0	112.4	K355 R907	V351-K355 PolarHBondContact O-N 3.4Å; V351-R907 VanDerWaalsContact CG2-NH2 3.34Å
352	L	75.6	Confident	60.2	Low	2 Å²	2	82.2 Å²	82.2	1%	0.01	42%	0.423	C	S	.	.	H	α-helix	trans	-71.4	-34.9	174.7	-176.9	56	0	0	0	112.2	S350 K355 L356 E454 Y837 I840 L911	S350-L352 PolarHBondContact O-N 3.01Å; L352-K355 PolarHBondContact O-N 2.89Å; L352-L356 HydrophobicContact CD1-CD1 4.18Å; L352-L356 HydrophobicContact CD1-CG 4.38Å; L352-L356 HydrophobicContact CG-CD1 3.93Å; L352-L356 WeakPolarHBondContact O-CB 3.47Å; L352-L356 WeakPolarHBondContact O-CG 3.37Å; L352-L356 PolarHBondContact O-N 2.95Å; L352-E454 HydrophobicContact CB-CG 4.15Å; L352-E454 WeakPolarHBondContact CB-OE1 3.44Å; L352-E454 WeakPolarHBondContact CB-OE2 3.08Å; L352-E454 HydrophobicContact CD2-CG 4.47Å; L352-E454 PolarHBondContact N-OE1 2.86Å; L352-E454 PolarHBondContact N-OE2 3.44Å; L352-Y837 HydrophobicContact CD1-CD2 4.38Å; L352-Y837 HydrophobicContact CD1-CE2 4.27Å; L352-Y837 HydrophobicContact CD2-CD2 4.24Å; L352-I840 HydrophobicContact CD2-CB 4.24Å; L352-I840 HydrophobicContact CD2-CD1 3.46Å; L352-I840 VanDerWaalsContact CD2-CD1 3.46Å; L352-I840 HydrophobicContact CD2-CG1 4.45Å; L352-I840 HydrophobicContact CD2-CG2 4.07Å; L352-L911 HydrophobicContact CD1-CD1 3.5Å; L352-L911 HydrophobicContact CD1-CD2 3.71Å; L352-L911 HydrophobicContact CD1-CG 4.24Å
353	Q	72.5	Confident	62.8	Low	82 Å²	82	76.9 Å²	76.9	38%	0.383	39%	0.389	S	S	.	.	H	α-helix	trans	-61.6	-46.2	177.3	-169.6	-178.2	5.7	0	0	110.9	S350 K355 L356 T357	S350-Q353 WeakPolarHBondContact O-CB 3.35Å; S350-Q353 PolarHBondContact O-N 2.83Å; Q353-K355 PolarHBondContact O-N 2.96Å; Q353-L356 PolarHBondContact O-N 3.5Å; Q353-T357 PolarHBondContact O-N 3.08Å; Q353-T357 PolarHBondContact O-OG1 2.79Å
354	G	73.4	Confident	65.4	Low	37 Å²	37	70.5 Å²	70.5	38%	0.381	37%	0.367	S	S	.	.	H	α-helix	trans	-59.8	-41.8	175.4	0	0	0	0	0	113.4	S350 L356 R358	S350-G354 PolarHBondContact O-N 2.86Å; G354-L356 PolarHBondContact O-N 2.82Å; G354-R358 PolarHBondContact O-N 2.95Å; G354-R358 VanDerWaalsContact O-N 3.14Å
355	K	80.3	Confident	68	Low	15 Å²	15	70.7 Å²	70.7	7%	0.065	36%	0.358	C	S	.	.	H	α-helix	trans	-62.8	-40.5	174.1	-70.8	179.8	-175.5	177.9	0	112.4	V351 L352 Q353 R358 L359 R907 K909 L911	V351-K355 PolarHBondContact O-N 3.4Å; L352-K355 PolarHBondContact O-N 2.89Å; Q353-K355 PolarHBondContact O-N 2.96Å; K355-R358 PolarHBondContact O-N 3.36Å; K355-L359 WeakPolarHBondContact O-CB 3.44Å; K355-L359 PolarHBondContact O-N 3.27Å; K355-R907 VanDerWaalsContact CE-O 3.3Å; K355-R907 WeakPolarHBondContact CE-O 3.26Å; K355-R907 PolarHBondContact NZ-O 2.9Å; K355-K909 PolarHBondContact NZ-O 2.95Å; K355-L911 HydrophobicContact CB-CD2 4.5Å
356	L	77.9	Confident	70.7	Confident	5 Å²	5	67.7 Å²	67.7	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-70.8	-40.5	-179.6	-80.7	166.9	0	0	0	112.7	L352 Q353 G354 R358 L359 A360 L425 V429 I840 L844 L911	L352-L356 HydrophobicContact CD1-CD1 4.18Å; L352-L356 HydrophobicContact CD1-CG 4.38Å; L352-L356 HydrophobicContact CG-CD1 3.93Å; L352-L356 WeakPolarHBondContact O-CB 3.47Å; L352-L356 WeakPolarHBondContact O-CG 3.37Å; L352-L356 PolarHBondContact O-N 2.95Å; Q353-L356 PolarHBondContact O-N 3.5Å; G354-L356 PolarHBondContact O-N 2.82Å; L356-R358 VanDerWaalsContact C-N 3.32Å; L356-R358 PolarHBondContact O-N 3.32Å; L356-L359 HydrophobicContact CD2-CD2 4.45Å; L356-L359 PolarHBondContact O-N 3.23Å; L356-A360 WeakPolarHBondContact O-CB 3.49Å; L356-A360 PolarHBondContact O-N 2.9Å; L356-L425 HydrophobicContact CD2-CD1 4.37Å; L356-V429 HydrophobicContact CD1-CG2 3.15Å; L356-I840 HydrophobicContact CD1-CG2 4.05Å; L356-L844 HydrophobicContact CD2-CD1 4.07Å; L356-L844 HydrophobicContact CD2-CD2 3.86Å; L356-L844 HydrophobicContact CD2-CG 4.41Å; L356-L911 HydrophobicContact CD2-CD2 3.69Å; L356-L911 HydrophobicContact CG-CD2 3.84Å
357	T	75.3	Confident	73.5	Confident	56 Å²	56	58.6 Å²	58.6	34%	0.344	31%	0.305	S	S	.	.	H	α-helix	trans	-59.4	-44	171.6	-57.4	0	0	0	0	111	Q353 L359 A360 V361	Q353-T357 PolarHBondContact O-N 3.08Å; Q353-T357 PolarHBondContact O-OG1 2.79Å; T357-L359 PolarHBondContact O-N 2.82Å; T357-A360 PolarHBondContact O-N 3.38Å; T357-V361 WeakPolarHBondContact O-CG2 3.45Å; T357-V361 PolarHBondContact O-N 3.26Å
358	R	76.6	Confident	75.8	Confident	97 Å²	97	53.9 Å²	53.9	37%	0.366	29%	0.289	S	S	.	.	H	α-helix	trans	-60.6	-42.7	175.2	-164.7	-176.9	-164.8	-177.6	11.2	112.1	G354 K355 L356 Q362 H1062 G1063	G354-R358 PolarHBondContact O-N 2.95Å; G354-R358 VanDerWaalsContact O-N 3.14Å; K355-R358 PolarHBondContact O-N 3.36Å; L356-R358 VanDerWaalsContact C-N 3.32Å; L356-R358 PolarHBondContact O-N 3.32Å; R358-Q362 WeakPolarHBondContact O-CG 3.47Å; R358-Q362 PolarHBondContact O-N 3.13Å; R358-Q362 VanDerWaalsContact O-N 3.11Å; R358-H1062 PolarHBondContact NH1-O 3.14Å; R358-G1063 PolarHBondContact NH1-O 3.44Å
359	L	78.9	Confident	77.8	Confident	9 Å²	9	51.6 Å²	51.6	5%	0.047	28%	0.281	C	S	.	.	H	α-helix	trans	-66.8	-45.3	178.5	-176.9	64.3	0	0	0	111.9	K355 L356 T357 V361 Q362 I363 L844 I912	K355-L359 WeakPolarHBondContact O-CB 3.44Å; K355-L359 PolarHBondContact O-N 3.27Å; L356-L359 HydrophobicContact CD2-CD2 4.45Å; L356-L359 PolarHBondContact O-N 3.23Å; T357-L359 PolarHBondContact O-N 2.82Å; L359-V361 PolarHBondContact O-N 3.5Å; L359-Q362 PolarHBondContact O-N 3.05Å; L359-I363 HydrophobicContact CD1-CD1 4.1Å; L359-I363 HydrophobicContact CD1-CG1 4.44Å; L359-I363 HydrophobicContact CG-CD1 3.82Å; L359-I363 VanDerWaalsContact O-CG1 3.31Å; L359-I363 WeakPolarHBondContact O-CG1 3.39Å; L359-I363 PolarHBondContact O-N 3.16Å; L359-L844 HydrophobicContact CD2-CD2 4Å; L359-I912 HydrophobicContact CD1-CD1 4.05Å; L359-I912 HydrophobicContact CD2-CD1 4.21Å
360	A	77.7	Confident	79.4	Confident	28 Å²	28	49.2 Å²	49.2	23%	0.231	27%	0.273	C	S	.	.	H	α-helix	trans	-59.4	-44	176.9	0	0	0	0	0	111.7	L356 T357 Q362 I363 G364 L425	L356-A360 WeakPolarHBondContact O-CB 3.49Å; L356-A360 PolarHBondContact O-N 2.9Å; T357-A360 PolarHBondContact O-N 3.38Å; A360-Q362 PolarHBondContact O-N 3.05Å; A360-I363 PolarHBondContact O-N 3.33Å; A360-G364 PolarHBondContact O-N 3.28Å; A360-L425 HydrophobicContact CB-CD1 4.14Å
361	V	77.3	Confident	80.2	Confident	44 Å²	44	49.1 Å²	49.1	27%	0.267	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-38.5	175.9	171.2	0	0	0	0	112	T357 L359 K365	T357-V361 WeakPolarHBondContact O-CG2 3.45Å; T357-V361 PolarHBondContact O-N 3.26Å; L359-V361 PolarHBondContact O-N 3.5Å; V361-K365 HydrophobicContact CG1-CD 4.16Å; V361-K365 WeakPolarHBondContact O-CB 3.49Å; V361-K365 VanDerWaalsContact O-CG 3.31Å; V361-K365 WeakPolarHBondContact O-CG 3.42Å; V361-K365 PolarHBondContact O-N 2.96Å
362	Q	81.2	Confident	81	Confident	103 Å²	103	50.1 Å²	50.1	48%	0.481	28%	0.284	S	S	.	.	H	α-helix	trans	-65.1	-44.4	174.9	-75.7	177.3	-18.7	0	0	112	R358 L359 A360 K365 A366	R358-Q362 WeakPolarHBondContact O-CG 3.47Å; R358-Q362 PolarHBondContact O-N 3.13Å; R358-Q362 VanDerWaalsContact O-N 3.11Å; L359-Q362 PolarHBondContact O-N 3.05Å; A360-Q362 PolarHBondContact O-N 3.05Å; Q362-K365 PolarHBondContact O-N 3.06Å; Q362-A366 PolarHBondContact O-N 2.95Å; Q362-A366 VanDerWaalsContact O-N 3.15Å
363	I	82.3	Confident	81.7	Confident	32 Å²	32	53.3 Å²	53.3	16%	0.164	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-45.3	178	-66.3	165.2	0	0	0	110.6	L359 A360 K365 A366 G367 A420 P422 L848	L359-I363 HydrophobicContact CD1-CD1 4.1Å; L359-I363 HydrophobicContact CD1-CG1 4.44Å; L359-I363 HydrophobicContact CG-CD1 3.82Å; L359-I363 VanDerWaalsContact O-CG1 3.31Å; L359-I363 WeakPolarHBondContact O-CG1 3.39Å; L359-I363 PolarHBondContact O-N 3.16Å; A360-I363 PolarHBondContact O-N 3.33Å; I363-K365 PolarHBondContact O-N 3.41Å; I363-A366 PolarHBondContact O-N 3.28Å; I363-A366 VanDerWaalsContact O-N 3.13Å; I363-G367 PolarHBondContact O-N 3.11Å; I363-A420 WeakPolarHBondContact CG2-O 3.4Å; I363-P422 HydrophobicContact CD1-CG 4.25Å; I363-P422 HydrophobicContact CG2-CG 4.24Å; I363-L848 HydrophobicContact CD1-CD2 3.55Å
364	G	79.8	Confident	82.5	Confident	18 Å²	18	49.5 Å²	49.5	19%	0.186	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-40.2	177.5	0	0	0	0	0	113.4	A360 A366 G367 L368	A360-G364 PolarHBondContact O-N 3.28Å; G364-A366 VanDerWaalsContact C-N 3.32Å; G364-A366 PolarHBondContact O-N 3.22Å; G364-G367 PolarHBondContact O-N 3.29Å; G364-L368 WeakPolarHBondContact O-CB 3.22Å; G364-L368 PolarHBondContact O-N 3.26Å
365	K	82.4	Confident	83.2	Confident	116 Å²	116	49 Å²	49	50%	0.504	27%	0.272	S	S	.	.	H	α-helix	trans	-62.3	-37.2	173.3	-74.5	176.6	-177.8	-179.7	0	112	V361 Q362 I363 L369 E1085	V361-K365 HydrophobicContact CG1-CD 4.16Å; V361-K365 WeakPolarHBondContact O-CB 3.49Å; V361-K365 VanDerWaalsContact O-CG 3.31Å; V361-K365 WeakPolarHBondContact O-CG 3.42Å; V361-K365 PolarHBondContact O-N 2.96Å; Q362-K365 PolarHBondContact O-N 3.06Å; I363-K365 PolarHBondContact O-N 3.41Å; K365-L369 PolarHBondContact O-N 3.45Å; K365-E1085 IonicContact NZ-OE1 2.61Å; K365-E1085 PolarHBondContact NZ-OE1 3.47Å; K365-E1085 IonicContact NZ-OE2 3.16Å; K365-E1085 PolarHBondContact NZ-OE2 2.89Å
366	A	85.1	Confident	83.7	Confident	56 Å²	56	54.3 Å²	54.3	46%	0.463	30%	0.296	S	S	.	.	H	α-helix	trans	-73.3	-41.3	175	0	0	0	0	0	113	Q362 I363 G364 L369 M370	Q362-A366 PolarHBondContact O-N 2.95Å; Q362-A366 VanDerWaalsContact O-N 3.15Å; I363-A366 PolarHBondContact O-N 3.28Å; I363-A366 VanDerWaalsContact O-N 3.13Å; G364-A366 VanDerWaalsContact C-N 3.32Å; G364-A366 PolarHBondContact O-N 3.22Å; A366-L369 PolarHBondContact O-N 3.26Å; A366-M370 PolarHBondContact O-N 2.88Å
367	G	85.8	Confident	84.3	Confident	4 Å²	4	56.4 Å²	56.4	4%	0.041	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-42.9	177.4	0	0	0	0	0	113	I363 G364 L369 M370 S371 A420	I363-G367 PolarHBondContact O-N 3.11Å; G364-G367 PolarHBondContact O-N 3.29Å; G367-L369 VanDerWaalsContact C-N 3.34Å; G367-L369 PolarHBondContact O-N 2.85Å; G367-M370 PolarHBondContact O-N 3.25Å; G367-S371 VanDerWaalsContact O-CB 3.26Å; G367-S371 WeakPolarHBondContact O-CB 3.35Å; G367-S371 PolarHBondContact O-N 3.33Å; G367-A420 VanDerWaalsContact CA-CB 3.45Å
368	L	85.9	Confident	84.8	Confident	101 Å²	101	54 Å²	54	53%	0.529	29%	0.291	S	S	.	.	H	α-helix	trans	-61.3	-40.9	174.3	-176	65.6	0	0	0	112.2	G364 A372 L417	G364-L368 WeakPolarHBondContact O-CB 3.22Å; G364-L368 PolarHBondContact O-N 3.26Å; L368-A372 WeakPolarHBondContact O-CB 3.44Å; L368-A372 PolarHBondContact O-N 2.91Å; L368-L417 HydrophobicContact CB-CD1 4.23Å; L368-L417 HydrophobicContact CD1-CD1 4.38Å; L368-L417 HydrophobicContact CD1-CD2 4.29Å
369	L	89.4	Confident	85.4	Confident	125 Å²	125	52.4 Å²	52.4	65%	0.654	29%	0.289	S	S	*	.	H	α-helix	trans	-64.5	-46.1	176.5	-177.3	65.3	0	0	0	111.7	K365 A366 G367 L373	K365-L369 PolarHBondContact O-N 3.45Å; A366-L369 PolarHBondContact O-N 3.26Å; G367-L369 VanDerWaalsContact C-N 3.34Å; G367-L369 PolarHBondContact O-N 2.85Å; L369-L373 VanDerWaalsContact O-CB 3.31Å; L369-L373 WeakPolarHBondContact O-CB 3.4Å; L369-L373 PolarHBondContact O-N 3.5Å
370	M	87.3	Confident	85.9	Confident	54 Å²	54	55.8 Å²	55.8	27%	0.266	31%	0.307	S	S	.	.	H	α-helix	trans	-65.9	-41.1	177.8	-70.7	-57.9	-59.6	0	0	112.4	A366 G367 L373 T374 V855 F859	A366-M370 PolarHBondContact O-N 2.88Å; G367-M370 PolarHBondContact O-N 3.25Å; M370-L373 PolarHBondContact O-N 2.91Å; M370-T374 WeakPolarHBondContact O-CB 3.24Å; M370-T374 PolarHBondContact O-N 3.42Å; M370-T374 PolarHBondContact O-OG1 2.84Å; M370-V855 HydrophobicContact CB-CG1 4.21Å; M370-V855 HydrophobicContact CG-CG1 4.33Å; M370-F859 HydrophobicContact CE-CB 4.03Å; M370-F859 HydrophobicContact CE-CD1 3.91Å; M370-F859 HydrophobicContact CE-CD2 3.53Å; M370-F859 HydrophobicContact CE-CE1 4.24Å; M370-F859 HydrophobicContact CE-CE2 3.89Å; M370-F859 HydrophobicContact CE-CG 3.53Å; M370-F859 HydrophobicContact CE-CZ 4.23Å
371	S	87.6	Confident	86.3	Confident	11 Å²	11	59.4 Å²	59.4	8%	0.077	32%	0.315	C	S	.	.	H	α-helix	trans	-57.9	-53.5	173.9	171.5	0	0	0	0	111.3	G367 L373 T374 V375 G413	G367-S371 VanDerWaalsContact O-CB 3.26Å; G367-S371 WeakPolarHBondContact O-CB 3.35Å; G367-S371 PolarHBondContact O-N 3.33Å; S371-L373 VanDerWaalsContact C-N 3.34Å; S371-L373 PolarHBondContact O-N 2.88Å; S371-T374 WeakPolarHBondContact O-CB 3.44Å; S371-T374 PolarHBondContact O-N 3.15Å; S371-T374 VanDerWaalsContact O-N 3.15Å; S371-V375 WeakPolarHBondContact O-CG2 3.18Å; S371-V375 PolarHBondContact O-N 2.9Å; S371-G413 WeakPolarHBondContact CB-O 3.39Å; S371-G413 VanDerWaalsContact OG-C 3.29Å; S371-G413 PolarHBondContact OG-O 2.96Å
372	A	89.2	Confident	86.6	Confident	57 Å²	57	57.7 Å²	57.7	47%	0.471	30%	0.304	S	S	.	.	H	α-helix	trans	-61.1	-40.6	179	0	0	0	0	0	112.6	L368 V375 F376	L368-A372 WeakPolarHBondContact O-CB 3.44Å; L368-A372 PolarHBondContact O-N 2.91Å; A372-V375 PolarHBondContact O-N 3.02Å; A372-F376 WeakPolarHBondContact O-CB 3.48Å; A372-F376 PolarHBondContact O-N 3.04Å
373	L	90.3	Very high	86.9	Confident	70 Å²	70	55.2 Å²	55.2	37%	0.366	30%	0.296	S	S	.	.	H	α-helix	trans	-64.1	-39.9	175.4	-176	64	0	0	0	112	L369 M370 S371 F376 I377 F859	L369-L373 VanDerWaalsContact O-CB 3.31Å; L369-L373 WeakPolarHBondContact O-CB 3.4Å; L369-L373 PolarHBondContact O-N 3.5Å; M370-L373 PolarHBondContact O-N 2.91Å; S371-L373 VanDerWaalsContact C-N 3.34Å; S371-L373 PolarHBondContact O-N 2.88Å; L373-F376 PolarHBondContact O-N 3.12Å; L373-I377 HydrophobicContact CD1-CD1 4Å; L373-I377 HydrophobicContact CD1-CG1 4.33Å; L373-I377 HydrophobicContact CG-CD1 3.88Å; L373-I377 VanDerWaalsContact O-CG1 3.31Å; L373-I377 WeakPolarHBondContact O-CG1 3.47Å; L373-I377 PolarHBondContact O-N 3.39Å; L373-F859 HydrophobicContact CD2-CE2 3.85Å; L373-F859 HydrophobicContact CD2-CZ 4.09Å; L373-F859 HydrophobicContact CG-CE2 4.05Å
374	T	88	Confident	87.1	Confident	1 Å²	1	57 Å²	57	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-48.8	176.8	-52.5	0	0	0	0	110.9	M370 S371 F376 I377 L378 I412 A862	M370-T374 WeakPolarHBondContact O-CB 3.24Å; M370-T374 PolarHBondContact O-N 3.42Å; M370-T374 PolarHBondContact O-OG1 2.84Å; S371-T374 WeakPolarHBondContact O-CB 3.44Å; S371-T374 PolarHBondContact O-N 3.15Å; S371-T374 VanDerWaalsContact O-N 3.15Å; T374-F376 PolarHBondContact O-N 3.08Å; T374-I377 PolarHBondContact O-N 3.21Å; T374-L378 HydrophobicContact CG2-CD1 4.08Å; T374-L378 WeakPolarHBondContact O-CB 3.42Å; T374-L378 WeakPolarHBondContact O-CG 2.75Å; T374-L378 PolarHBondContact O-N 2.86Å; T374-I412 HydrophobicContact CG2-CG2 4.33Å; T374-A862 HydrophobicContact CG2-CB 3.58Å
375	V	89.9	Confident	87.3	Confident	26 Å²	26	58.1 Å²	58.1	16%	0.158	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-44.5	177.7	177.4	0	0	0	0	111	S371 A372 L378 I379	S371-V375 WeakPolarHBondContact O-CG2 3.18Å; S371-V375 PolarHBondContact O-N 2.9Å; A372-V375 PolarHBondContact O-N 3.02Å; V375-L378 PolarHBondContact O-N 3.37Å; V375-I379 HydrophobicContact CG1-CD1 3.69Å; V375-I379 HydrophobicContact CG1-CG1 4.41Å; V375-I379 WeakPolarHBondContact O-CB 3.47Å; V375-I379 VanDerWaalsContact O-CG1 3.29Å; V375-I379 WeakPolarHBondContact O-CG1 3.43Å; V375-I379 PolarHBondContact O-N 3.2Å
376	F	90.6	Very high	87.2	Confident	128 Å²	128	53.2 Å²	53.2	56%	0.561	29%	0.287	S	S	*	.	H	α-helix	trans	-61.4	-45.6	178.7	-179.9	-99.5	0	0	0	112.4	A372 L373 T374 L380	A372-F376 WeakPolarHBondContact O-CB 3.48Å; A372-F376 PolarHBondContact O-N 3.04Å; L373-F376 PolarHBondContact O-N 3.12Å; T374-F376 PolarHBondContact O-N 3.08Å; F376-L380 HydrophobicContact CE1-CD2 3.95Å; F376-L380 HydrophobicContact CZ-CD2 4.27Å; F376-L380 VanDerWaalsContact O-CB 3.22Å; F376-L380 WeakPolarHBondContact O-CB 3.07Å; F376-L380 PolarHBondContact O-N 3.08Å
377	I	89.2	Confident	87.2	Confident	49 Å²	49	52.6 Å²	52.6	25%	0.251	27%	0.273	S	S	.	.	H	α-helix	trans	-65.2	-43.7	178.9	-68.8	168.9	0	0	0	111.2	L373 T374 L380 Y381 F859	L373-I377 HydrophobicContact CD1-CD1 4Å; L373-I377 HydrophobicContact CD1-CG1 4.33Å; L373-I377 HydrophobicContact CG-CD1 3.88Å; L373-I377 VanDerWaalsContact O-CG1 3.31Å; L373-I377 WeakPolarHBondContact O-CG1 3.47Å; L373-I377 PolarHBondContact O-N 3.39Å; T374-I377 PolarHBondContact O-N 3.21Å; I377-L380 PolarHBondContact O-N 3.06Å; I377-Y381 WeakPolarHBondContact O-CB 3.36Å; I377-Y381 PolarHBondContact O-N 3.04Å; I377-F859 HydrophobicContact CD1-CE2 3.92Å; I377-F859 HydrophobicContact CD1-CZ 4.13Å
378	L	87.3	Confident	87	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-47.1	177.7	-76.1	169.8	0	0	0	112.2	T374 V375 F382 F409 I412 A862	T374-L378 HydrophobicContact CG2-CD1 4.08Å; T374-L378 WeakPolarHBondContact O-CB 3.42Å; T374-L378 WeakPolarHBondContact O-CG 2.75Å; T374-L378 PolarHBondContact O-N 2.86Å; V375-L378 PolarHBondContact O-N 3.37Å; L378-F382 WeakPolarHBondContact O-CB 3.4Å; L378-F382 PolarHBondContact O-N 2.96Å; L378-F409 HydrophobicContact CB-CB 3.97Å; L378-F409 HydrophobicContact CB-CD1 3.8Å; L378-F409 HydrophobicContact CB-CD2 4.12Å; L378-F409 HydrophobicContact CB-CE1 4.3Å; L378-F409 HydrophobicContact CB-CG 3.71Å; L378-F409 HydrophobicContact CD1-CB 4.04Å; L378-F409 HydrophobicContact CD1-CD1 3.9Å; L378-F409 HydrophobicContact CD1-CG 4.22Å; L378-F409 HydrophobicContact CD2-CD1 4.07Å; L378-F409 HydrophobicContact CD2-CE1 4.17Å; L378-F409 HydrophobicContact CG-CD1 4.15Å; L378-F409 HydrophobicContact CG-CG 4.47Å; L378-I412 HydrophobicContact CD1-CB 4.32Å; L378-I412 HydrophobicContact CD1-CD1 4.31Å; L378-I412 HydrophobicContact CD1-CG2 4.04Å; L378-A862 HydrophobicContact CD1-CB 4.04Å; L378-A862 HydrophobicContact CD2-CB 3.96Å; L378-A862 WeakPolarHBondContact CD2-O 3.3Å; L378-A862 HydrophobicContact CG-CB 4.09Å
379	I	89.3	Confident	86.9	Confident	63 Å²	63	57.3 Å²	57.3	32%	0.323	30%	0.3	S	S	.	.	H	α-helix	trans	-62.1	-47.5	176.6	-68.7	172.6	0	0	0	110.6	V375 F382 V383 F406 F409	V375-I379 HydrophobicContact CG1-CD1 3.69Å; V375-I379 HydrophobicContact CG1-CG1 4.41Å; V375-I379 WeakPolarHBondContact O-CB 3.47Å; V375-I379 VanDerWaalsContact O-CG1 3.29Å; V375-I379 WeakPolarHBondContact O-CG1 3.43Å; V375-I379 PolarHBondContact O-N 3.2Å; I379-F382 PolarHBondContact O-N 3.17Å; I379-V383 HydrophobicContact CG2-CG2 4.46Å; I379-V383 WeakPolarHBondContact O-CB 3.18Å; I379-V383 VanDerWaalsContact O-CG2 3.3Å; I379-V383 WeakPolarHBondContact O-CG2 3.46Å; I379-V383 PolarHBondContact O-N 2.87Å; I379-F406 HydrophobicContact CG1-CD1 4.02Å; I379-F406 HydrophobicContact CG1-CE1 4.38Å; I379-F406 HydrophobicContact CG2-CD1 4.47Å; I379-F406 HydrophobicContact CG2-CE1 4.04Å; I379-F409 HydrophobicContact CG1-CD2 4.15Å
380	L	88.8	Confident	86.5	Confident	80 Å²	80	55.3 Å²	55.3	42%	0.419	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-44.7	-178.5	-177.4	62.7	0	0	0	111.8	F376 I377 V383 I384	F376-L380 HydrophobicContact CE1-CD2 3.95Å; F376-L380 HydrophobicContact CZ-CD2 4.27Å; F376-L380 VanDerWaalsContact O-CB 3.22Å; F376-L380 WeakPolarHBondContact O-CB 3.07Å; F376-L380 PolarHBondContact O-N 3.08Å; I377-L380 PolarHBondContact O-N 3.06Å; L380-V383 PolarHBondContact O-N 3.49Å; L380-I384 HydrophobicContact CD1-CD1 3.82Å; L380-I384 HydrophobicContact CD1-CG1 4.31Å; L380-I384 HydrophobicContact CG-CD1 3.88Å; L380-I384 WeakPolarHBondContact O-CB 3.46Å; L380-I384 VanDerWaalsContact O-CG1 3.29Å; L380-I384 WeakPolarHBondContact O-CG1 3.49Å; L380-I384 PolarHBondContact O-N 3.14Å
381	Y	85.6	Confident	86.1	Confident	104 Å²	104	62.8 Å²	62.8	41%	0.408	32%	0.315	S	S	.	.	H	α-helix	trans	-60	-52.1	175.7	-170.9	-68.7	0	0	0	110.6	I377 V383 I384 D385 Q866	I377-Y381 WeakPolarHBondContact O-CB 3.36Å; I377-Y381 PolarHBondContact O-N 3.04Å; Y381-V383 VanDerWaalsContact C-N 3.29Å; Y381-V383 PolarHBondContact O-N 2.75Å; Y381-I384 PolarHBondContact O-N 2.76Å; Y381-D385 HydrophobicContact CD1-CB 4.26Å; Y381-D385 HydrophobicContact CE1-CB 4.09Å; Y381-D385 WeakPolarHBondContact O-CB 3.26Å; Y381-D385 PolarHBondContact O-N 3.42Å; Y381-Q866 HydrophobicContact CD1-CG 3.86Å; Y381-Q866 HydrophobicContact CE1-CG 3.72Å
382	F	84.3	Confident	85.6	Confident	8 Å²	8	66.3 Å²	66.3	4%	0.035	33%	0.327	C	S	.	.	H	α-helix	trans	-58.3	-41.1	-177.8	179	-94.5	0	0	0	112.5	L378 I379 N386 Y402 Y405 F406 F409	L378-F382 WeakPolarHBondContact O-CB 3.4Å; L378-F382 PolarHBondContact O-N 2.96Å; I379-F382 PolarHBondContact O-N 3.17Å; F382-N386 WeakPolarHBondContact CE2-ND2 3.43Å; F382-N386 WeakPolarHBondContact O-CB 3.49Å; F382-N386 PolarHBondContact O-N 2.92Å; F382-N386 VanDerWaalsContact O-N 3.09Å; F382-N386 PolarHBondContact O-ND2 2.89Å; F382-Y402 HydrophobicContact CE1-CD1 4.28Å; F382-Y402 HydrophobicContact CZ-CD1 4.01Å; F382-Y405 HydrophobicContact CD2-CD1 4.39Å; F382-Y405 HydrophobicContact CD2-CG 4.39Å; F382-Y405 AromaticContact CE2-CD1 3.9Å; F382-Y405 HydrophobicContact CE2-CD1 3.9Å; F382-Y405 AromaticContact CE2-CD2 3.88Å; F382-Y405 HydrophobicContact CE2-CD2 3.88Å; F382-Y405 HydrophobicContact CE2-CE1 4.39Å; F382-Y405 HydrophobicContact CE2-CE2 4.37Å; F382-Y405 AromaticContact CE2-CG 3.63Å; F382-Y405 HydrophobicContact CE2-CG 3.63Å; F382-Y405 AromaticContact CZ-CD2 3.91Å; F382-Y405 HydrophobicContact CZ-CD2 3.91Å; F382-Y405 AromaticContact CZ-CG 3.9Å; F382-Y405 HydrophobicContact CZ-CG 3.9Å; F382-F406 AromaticContact CD1-CE1 3.96Å; F382-F406 HydrophobicContact CD1-CE1 3.96Å; F382-F406 HydrophobicContact CD1-CZ 4.37Å; F382-F406 HydrophobicContact CE1-CE1 4.38Å; F382-F406 HydrophobicContact CE1-CZ 4.48Å; F382-F409 HydrophobicContact CB-CE2 3.59Å; F382-F409 HydrophobicContact CB-CZ 3.86Å; F382-F409 HydrophobicContact CD1-CE2 4.35Å; F382-F409 HydrophobicContact CD2-CE2 4.04Å; F382-F409 AromaticContact CD2-CZ 3.86Å; F382-F409 HydrophobicContact CD2-CZ 3.86Å; F382-F409 AromaticContact CG-CE2 3.74Å; F382-F409 HydrophobicContact CG-CE2 3.74Å; F382-F409 AromaticContact CG-CZ 4Å; F382-F409 HydrophobicContact CG-CZ 4Å
383	V	86.6	Confident	84.9	Confident	51 Å²	51	67.5 Å²	67.5	31%	0.309	33%	0.33	S	S	.	.	H	α-helix	trans	-69	-44.4	178.4	168.1	0	0	0	0	111.8	I379 L380 Y381 F387 F406	I379-V383 HydrophobicContact CG2-CG2 4.46Å; I379-V383 WeakPolarHBondContact O-CB 3.18Å; I379-V383 VanDerWaalsContact O-CG2 3.3Å; I379-V383 WeakPolarHBondContact O-CG2 3.46Å; I379-V383 PolarHBondContact O-N 2.87Å; L380-V383 PolarHBondContact O-N 3.49Å; Y381-V383 VanDerWaalsContact C-N 3.29Å; Y381-V383 PolarHBondContact O-N 2.75Å; V383-F387 HydrophobicContact CB-CD2 4.39Å; V383-F387 HydrophobicContact CG1-CD2 4.16Å; V383-F387 HydrophobicContact CG2-CD2 4.49Å; V383-F387 WeakPolarHBondContact O-CB 3.03Å; V383-F387 WeakPolarHBondContact O-CD2 3.33Å; V383-F387 PolarHBondContact O-N 3.31Å; V383-F406 HydrophobicContact CG2-CE1 4.36Å; V383-F406 HydrophobicContact CG2-CZ 4.3Å
384	I	86.6	Confident	84.3	Confident	71 Å²	71	71.1 Å²	71.1	36%	0.364	34%	0.339	S	S	.	.	I	π-helix	trans	-63.9	-48	177.6	-70.7	170.9	0	0	0	110.5	L380 Y381 V388 I389	L380-I384 HydrophobicContact CD1-CD1 3.82Å; L380-I384 HydrophobicContact CD1-CG1 4.31Å; L380-I384 HydrophobicContact CG-CD1 3.88Å; L380-I384 WeakPolarHBondContact O-CB 3.46Å; L380-I384 VanDerWaalsContact O-CG1 3.29Å; L380-I384 WeakPolarHBondContact O-CG1 3.49Å; L380-I384 PolarHBondContact O-N 3.14Å; Y381-I384 PolarHBondContact O-N 2.76Å; I384-V388 WeakPolarHBondContact O-CA 3.34Å; I384-V388 VanDerWaalsContact O-CB 3.27Å; I384-V388 WeakPolarHBondContact O-CB 3.43Å; I384-V388 PolarHBondContact O-N 3.02Å; I384-I389 HydrophobicContact CG2-CD1 4Å; I384-I389 HydrophobicContact CG2-CG1 4.21Å; I384-I389 PolarHBondContact O-N 2.91Å
385	D	83.3	Confident	83.8	Confident	40 Å²	40	73.5 Å²	73.5	21%	0.214	35%	0.351	C	S	.	.	I	π-helix	trans	-62.6	-51.5	-177.9	-176.6	76.5	0	0	0	112	Y381 N390	Y381-D385 HydrophobicContact CD1-CB 4.26Å; Y381-D385 HydrophobicContact CE1-CB 4.09Å; Y381-D385 WeakPolarHBondContact O-CB 3.26Å; Y381-D385 PolarHBondContact O-N 3.42Å; D385-N390 VanDerWaalsContact O-CB 3.25Å; D385-N390 WeakPolarHBondContact O-CB 3.27Å; D385-N390 PolarHBondContact O-N 2.86Å; D385-N390 PolarHBondContact O-ND2 3.3Å; D385-N390 PolarHBondContact OD1-ND2 2.93Å; D385-N390 PolarHBondContact OD2-ND2 3.21Å
386	N	81.7	Confident	82.9	Confident	14 Å²	14	77.1 Å²	77.1	8%	0.075	38%	0.375	C	S	.	.	I	π-helix	trans	-74.3	-45.7	-175.3	-75.1	-87.3	0	0	0	113.6	F382 N390 R391 R392	F382-N386 WeakPolarHBondContact CE2-ND2 3.43Å; F382-N386 WeakPolarHBondContact O-CB 3.49Å; F382-N386 PolarHBondContact O-N 2.92Å; F382-N386 VanDerWaalsContact O-N 3.09Å; F382-N386 PolarHBondContact O-ND2 2.89Å; N386-N390 CarbonylContact O-C 3.5Å; N386-R391 PolarHBondContact O-N 3.5Å; N386-R392 PolarHBondContact O-N 3.31Å
387	F	83.8	Confident	82	Confident	42 Å²	42	76.8 Å²	76.8	18%	0.184	38%	0.376	C	S	.	.	I	π-helix	trans	-97.6	-26.1	-169.6	-56.5	-68.8	0	0	0	113.8	V383 R392 W394 Y402	V383-F387 HydrophobicContact CB-CD2 4.39Å; V383-F387 HydrophobicContact CG1-CD2 4.16Å; V383-F387 HydrophobicContact CG2-CD2 4.49Å; V383-F387 WeakPolarHBondContact O-CB 3.03Å; V383-F387 WeakPolarHBondContact O-CD2 3.33Å; V383-F387 PolarHBondContact O-N 3.31Å; F387-R392 WeakPolarHBondContact CD1-O 3.45Å; F387-W394 HydrophobicContact CD1-CE3 4.37Å; F387-W394 HydrophobicContact CE1-CD2 4.33Å; F387-W394 AromaticContact CE1-CE3 3.72Å; F387-W394 HydrophobicContact CE1-CE3 3.72Å; F387-W394 HydrophobicContact CE1-CZ3 4.34Å; F387-W394 HydrophobicContact CE2-CE3 4.06Å; F387-W394 AromaticContact CE2-CZ3 3.86Å; F387-W394 HydrophobicContact CE2-CZ3 3.86Å; F387-W394 HydrophobicContact CZ-CD2 4.31Å; F387-W394 AromaticContact CZ-CE3 3.54Å; F387-W394 HydrophobicContact CZ-CE3 3.54Å; F387-W394 AromaticContact CZ-CZ3 3.71Å; F387-W394 HydrophobicContact CZ-CZ3 3.71Å; F387-Y402 HydrophobicContact CE1-CE2 4.06Å; F387-Y402 HydrophobicContact CZ-CD2 4.08Å; F387-Y402 HydrophobicContact CZ-CE1 4.46Å; F387-Y402 AromaticContact CZ-CE2 3.87Å; F387-Y402 HydrophobicContact CZ-CE2 3.87Å; F387-Y402 HydrophobicContact CZ-CG 4.47Å
388	V	82.9	Confident	81.1	Confident	92 Å²	92	74.5 Å²	74.5	56%	0.558	36%	0.364	S	S	*	.	I	π-helix	trans	-101.3	-47.7	-177.6	-171.8	0	0	0	0	112	I384 R391	I384-V388 WeakPolarHBondContact O-CA 3.34Å; I384-V388 VanDerWaalsContact O-CB 3.27Å; I384-V388 WeakPolarHBondContact O-CB 3.43Å; I384-V388 PolarHBondContact O-N 3.02Å; V388-R391 WeakPolarHBondContact O-CG 3.24Å
389	I	83.7	Confident	80.6	Confident	112 Å²	112	76 Å²	76	57%	0.574	37%	0.373	S	S	*	.	I	π-helix	trans	-81.3	-60.3	-179.6	-61.5	175.3	0	0	0	110.1	I384 R391	I384-I389 HydrophobicContact CG2-CD1 4Å; I384-I389 HydrophobicContact CG2-CG1 4.21Å; I384-I389 PolarHBondContact O-N 2.91Å; I389-R391 PolarHBondContact O-N 3.2Å
390	N	80.7	Confident	79.8	Confident	84 Å²	84	74.7 Å²	74.7	45%	0.449	37%	0.369	S	S	.	.	S	Bend	trans	-79	-4.2	-179.2	-65.8	-50.9	0	0	0	113.7	D385 N386 R392	D385-N390 VanDerWaalsContact O-CB 3.25Å; D385-N390 WeakPolarHBondContact O-CB 3.27Å; D385-N390 PolarHBondContact O-N 2.86Å; D385-N390 PolarHBondContact O-ND2 3.3Å; D385-N390 PolarHBondContact OD1-ND2 2.93Å; D385-N390 PolarHBondContact OD2-ND2 3.21Å; N386-N390 CarbonylContact O-C 3.5Å; N390-R392 HydrophobicContact CB-CG 4.44Å; N390-R392 PolarHBondContact O-N 2.94Å
391	R	79.4	Confident	79.1	Confident	211 Å²	211	73.5 Å²	73.5	80%	0.796	36%	0.362	S	S	*	.			trans	48.3	34.8	172.4	-64.8	-172	174.1	-161	-0.9	115.5	N386 V388 I389	N386-R391 PolarHBondContact O-N 3.5Å; V388-R391 WeakPolarHBondContact O-CG 3.24Å; I389-R391 PolarHBondContact O-N 3.2Å
392	R	76.1	Confident	78.9	Confident	85 Å²	85	68.8 Å²	68.8	32%	0.321	34%	0.344	S	S	.	.			trans	-69.3	135.6	179	-62.9	-173.3	-178.3	177.4	5.4	110.7	N386 F387 N390	N386-R392 PolarHBondContact O-N 3.31Å; F387-R392 WeakPolarHBondContact CD1-O 3.45Å; N390-R392 HydrophobicContact CB-CG 4.44Å; N390-R392 PolarHBondContact O-N 2.94Å
393	P	74.7	Confident	78.7	Confident	81 Å²	81	72.2 Å²	72.2	53%	0.526	36%	0.361	S	S	.	.			trans	-70.2	145.4	174.2	29.3	-34	0	0	0	110.9	L395	P393-L395 VanDerWaalsContact C-N 3.35Å; P393-L395 HydrophobicContact CG-CD1 4.23Å; P393-L395 HydrophobicContact CG-CG 4.27Å; P393-L395 PolarHBondContact O-N 2.93Å
394	W	77.4	Confident	78.1	Confident	146 Å²	146	72 Å²	72	55%	0.553	36%	0.357	S	S	*	.			trans	-77.3	86.6	173	-164.7	-58.6	0	0	0	110.1	F387 T399 Y402	F387-W394 HydrophobicContact CD1-CE3 4.37Å; F387-W394 HydrophobicContact CE1-CD2 4.33Å; F387-W394 AromaticContact CE1-CE3 3.72Å; F387-W394 HydrophobicContact CE1-CE3 3.72Å; F387-W394 HydrophobicContact CE1-CZ3 4.34Å; F387-W394 HydrophobicContact CE2-CE3 4.06Å; F387-W394 AromaticContact CE2-CZ3 3.86Å; F387-W394 HydrophobicContact CE2-CZ3 3.86Å; F387-W394 HydrophobicContact CZ-CD2 4.31Å; F387-W394 AromaticContact CZ-CE3 3.54Å; F387-W394 HydrophobicContact CZ-CE3 3.54Å; F387-W394 AromaticContact CZ-CZ3 3.71Å; F387-W394 HydrophobicContact CZ-CZ3 3.71Å; W394-T399 PolarHBondContact NE1-OG1 3.3Å; W394-Y402 HydrophobicContact CZ2-CD2 4.49Å
395	L	77.6	Confident	77.7	Confident	51 Å²	51	71.5 Å²	71.5	27%	0.267	35%	0.351	S	S	.	.			trans	-79.3	133.3	174.7	-72.2	160.3	0	0	0	110.6	L131 P393 E397 C398 T399	L131-L395 HydrophobicContact CB-CD1 4.37Å; L131-L395 HydrophobicContact CD2-CD1 4.3Å; P393-L395 VanDerWaalsContact C-N 3.35Å; P393-L395 HydrophobicContact CG-CD1 4.23Å; P393-L395 HydrophobicContact CG-CG 4.27Å; P393-L395 PolarHBondContact O-N 2.93Å; L395-E397 VanDerWaalsContact C-N 3.25Å; L395-E397 PolarHBondContact O-N 3.15Å; L395-C398 PolarHBondContact O-N 2.84Å; L395-T399 PolarHBondContact O-OG1 2.87Å
396	P	71.8	Confident	77.7	Confident	103 Å²	103	72.4 Å²	72.4	67%	0.669	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-54.6	-41	177	-27.6	35.7	0	0	0	113	C398 T399	P396-C398 VanDerWaalsContact C-N 3.33Å; P396-C398 PolarHBondContact O-N 2.83Å; P396-T399 WeakPolarHBondContact O-CB 3.19Å; P396-T399 PolarHBondContact O-N 2.88Å; P396-T399 VanDerWaalsContact O-N 3.08Å; P396-T399 PolarHBondContact O-OG1 3.36Å
397	E	71.7	Confident	77.6	Confident	121 Å²	121	73 Å²	73	57%	0.565	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-57.4	-38.9	-180	-68.7	163.2	-149.6	0	0	113.4	N129 L395 T399 P400	N129-E397 PolarHBondContact ND2-OE2 2.89Å; L395-E397 VanDerWaalsContact C-N 3.25Å; L395-E397 PolarHBondContact O-N 3.15Å; E397-T399 VanDerWaalsContact C-N 3.3Å; E397-T399 PolarHBondContact O-N 2.83Å; E397-P400 VanDerWaalsContact O-CD 3.3Å; E397-P400 WeakPolarHBondContact O-CD 3.41Å
398	C	70.3	Confident	77.3	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.007	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-80.5	-7.4	-180	-44.8	0	0	0	0	113.4	C132 L395 P396 P400 I401 Y402	C132-C398 WeakPolarHBondContact CA-SG 3.45Å; C132-C398 HydrophobicContact CB-CB 3.88Å; C132-C398 WeakPolarHBondContact CB-SG 3.27Å; C132-C398 VanDerWaalsContact SG-CA 3.58Å; C132-C398 WeakPolarHBondContact SG-CB 3.48Å; C132-C398 CovalentContact SG-SG 2.05Å; C132-C398 PolarHBondContact SG-SG 2.68Å; L395-C398 PolarHBondContact O-N 2.84Å; P396-C398 VanDerWaalsContact C-N 3.33Å; P396-C398 PolarHBondContact O-N 2.83Å; C398-P400 VanDerWaalsContact C-CD 3.48Å; C398-I401 WeakPolarHBondContact O-CB 3.29Å; C398-I401 PolarHBondContact O-N 3.37Å; C398-I401 VanDerWaalsContact O-N 3.11Å; C398-Y402 HydrophobicContact CB-CE1 4.49Å; C398-Y402 HydrophobicContact CB-CE2 3.86Å; C398-Y402 PolarHBondContact O-N 3.46Å
399	T	75.8	Confident	77.4	Confident	37 Å²	37	68.3 Å²	68.3	23%	0.227	33%	0.33	C	S	.	.	H	α-helix	trans	-56.8	-40.2	-174.3	-52.5	0	0	0	0	114.1	W394 L395 P396 E397 I401 Y402 I403	W394-T399 PolarHBondContact NE1-OG1 3.3Å; L395-T399 PolarHBondContact O-OG1 2.87Å; P396-T399 WeakPolarHBondContact O-CB 3.19Å; P396-T399 PolarHBondContact O-N 2.88Å; P396-T399 VanDerWaalsContact O-N 3.08Å; P396-T399 PolarHBondContact O-OG1 3.36Å; E397-T399 VanDerWaalsContact C-N 3.3Å; E397-T399 PolarHBondContact O-N 2.83Å; T399-I401 VanDerWaalsContact C-N 3.28Å; T399-I401 PolarHBondContact O-N 2.78Å; T399-Y402 PolarHBondContact O-N 2.74Å; T399-I403 HydrophobicContact CG2-CD1 4Å; T399-I403 HydrophobicContact CG2-CG1 4.43Å; T399-I403 WeakPolarHBondContact O-CG1 3.39Å; T399-I403 PolarHBondContact O-N 2.97Å
400	P	73.9	Confident	77.4	Confident	35 Å²	35	67.9 Å²	67.9	23%	0.227	32%	0.324	C	S	.	.	H	α-helix	trans	-60	-36	176.8	-25.4	37	0	0	0	113.4	P124 E397 C398 I403 Q404	P124-P400 HydrophobicContact CB-CG 4.43Å; P124-P400 HydrophobicContact CG-CB 4.42Å; P124-P400 HydrophobicContact CG-CG 4.19Å; E397-P400 VanDerWaalsContact O-CD 3.3Å; E397-P400 WeakPolarHBondContact O-CD 3.41Å; C398-P400 VanDerWaalsContact C-CD 3.48Å; P400-I403 PolarHBondContact O-N 3.09Å; P400-Q404 PolarHBondContact O-N 3.45Å
401	I	74.1	Confident	77.3	Confident	54 Å²	54	64.2 Å²	64.2	28%	0.277	30%	0.304	S	S	.	.	H	α-helix	trans	-66.4	-45.1	178	-58.7	169.2	0	0	0	109.8	C132 C398 T399 I403 Q404 Y405	C132-I401 HydrophobicContact CB-CD1 4.17Å; C398-I401 WeakPolarHBondContact O-CB 3.29Å; C398-I401 PolarHBondContact O-N 3.37Å; C398-I401 VanDerWaalsContact O-N 3.11Å; T399-I401 VanDerWaalsContact C-N 3.28Å; T399-I401 PolarHBondContact O-N 2.78Å; I401-I403 VanDerWaalsContact C-N 3.32Å; I401-I403 PolarHBondContact O-N 3.15Å; I401-Q404 WeakPolarHBondContact O-CB 3.03Å; I401-Q404 PolarHBondContact O-N 3.31Å; I401-Q404 VanDerWaalsContact O-N 3.11Å; I401-Y405 HydrophobicContact CG2-CD2 4.11Å; I401-Y405 HydrophobicContact CG2-CE2 3.92Å; I401-Y405 WeakPolarHBondContact O-CD2 3.17Å; I401-Y405 PolarHBondContact O-N 2.86Å; I401-Y405 VanDerWaalsContact O-N 3.08Å
402	Y	80.4	Confident	77.3	Confident	6 Å²	6	54.9 Å²	54.9	2%	0.024	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-37.9	176.2	-55.9	-32	0	0	0	112.2	F382 F387 W394 C398 T399 Q404 Y405 F406	F382-Y402 HydrophobicContact CE1-CD1 4.28Å; F382-Y402 HydrophobicContact CZ-CD1 4.01Å; F387-Y402 HydrophobicContact CE1-CE2 4.06Å; F387-Y402 HydrophobicContact CZ-CD2 4.08Å; F387-Y402 HydrophobicContact CZ-CE1 4.46Å; F387-Y402 AromaticContact CZ-CE2 3.87Å; F387-Y402 HydrophobicContact CZ-CE2 3.87Å; F387-Y402 HydrophobicContact CZ-CG 4.47Å; W394-Y402 HydrophobicContact CZ2-CD2 4.49Å; C398-Y402 HydrophobicContact CB-CE1 4.49Å; C398-Y402 HydrophobicContact CB-CE2 3.86Å; C398-Y402 PolarHBondContact O-N 3.46Å; T399-Y402 PolarHBondContact O-N 2.74Å; Y402-Q404 VanDerWaalsContact C-N 3.35Å; Y402-Y405 PolarHBondContact O-N 3.19Å; Y402-F406 VanDerWaalsContact O-CD2 3.22Å; Y402-F406 WeakPolarHBondContact O-CD2 3.48Å; Y402-F406 WeakPolarHBondContact O-CG 3.5Å; Y402-F406 PolarHBondContact O-N 3.1Å; Y402-F406 VanDerWaalsContact O-N 3.09Å
403	I	80.3	Confident	77.7	Confident	79 Å²	79	50.8 Å²	50.8	41%	0.405	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-41.1	172.4	-68.7	167.9	0	0	0	111.1	L119 T399 P400 I401 Y405 F406 V407	L119-I403 HydrophobicContact CD1-CG2 4.33Å; T399-I403 HydrophobicContact CG2-CD1 4Å; T399-I403 HydrophobicContact CG2-CG1 4.43Å; T399-I403 WeakPolarHBondContact O-CG1 3.39Å; T399-I403 PolarHBondContact O-N 2.97Å; P400-I403 PolarHBondContact O-N 3.09Å; I401-I403 VanDerWaalsContact C-N 3.32Å; I401-I403 PolarHBondContact O-N 3.15Å; I403-Y405 PolarHBondContact O-N 2.73Å; I403-F406 PolarHBondContact O-N 3.11Å; I403-V407 HydrophobicContact CG2-CG2 4.49Å; I403-V407 WeakPolarHBondContact O-CG2 3.49Å; I403-V407 PolarHBondContact O-N 3.06Å
404	Q	74.3	Confident	78.1	Confident	47 Å²	47	47.3 Å²	47.3	22%	0.22	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-39.9	177.7	-159.2	175.6	24.6	0	0	112.1	P400 I401 Y402 V407 K408 L952 H953	P400-Q404 PolarHBondContact O-N 3.45Å; I401-Q404 WeakPolarHBondContact O-CB 3.03Å; I401-Q404 PolarHBondContact O-N 3.31Å; I401-Q404 VanDerWaalsContact O-N 3.11Å; Y402-Q404 VanDerWaalsContact C-N 3.35Å; Q404-V407 PolarHBondContact O-N 3.38Å; Q404-K408 PolarHBondContact O-N 3.11Å; Q404-L952 HydrophobicContact CB-CD2 4.45Å; Q404-L952 HydrophobicContact CG-CD2 4.01Å; Q404-H953 PolarHBondContact NE2-NE2 2.59Å
405	Y	78.5	Confident	78.1	Confident	61 Å²	61	41 Å²	41	24%	0.239	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-44.8	171.7	-83.1	-77.8	0	0	0	112.6	F382 I401 Y402 I403 V407 K408 F409 L952	F382-Y405 HydrophobicContact CD2-CD1 4.39Å; F382-Y405 HydrophobicContact CD2-CG 4.39Å; F382-Y405 AromaticContact CE2-CD1 3.9Å; F382-Y405 HydrophobicContact CE2-CD1 3.9Å; F382-Y405 AromaticContact CE2-CD2 3.88Å; F382-Y405 HydrophobicContact CE2-CD2 3.88Å; F382-Y405 HydrophobicContact CE2-CE1 4.39Å; F382-Y405 HydrophobicContact CE2-CE2 4.37Å; F382-Y405 AromaticContact CE2-CG 3.63Å; F382-Y405 HydrophobicContact CE2-CG 3.63Å; F382-Y405 AromaticContact CZ-CD2 3.91Å; F382-Y405 HydrophobicContact CZ-CD2 3.91Å; F382-Y405 AromaticContact CZ-CG 3.9Å; F382-Y405 HydrophobicContact CZ-CG 3.9Å; I401-Y405 HydrophobicContact CG2-CD2 4.11Å; I401-Y405 HydrophobicContact CG2-CE2 3.92Å; I401-Y405 WeakPolarHBondContact O-CD2 3.17Å; I401-Y405 PolarHBondContact O-N 2.86Å; I401-Y405 VanDerWaalsContact O-N 3.08Å; Y402-Y405 PolarHBondContact O-N 3.19Å; I403-Y405 PolarHBondContact O-N 2.73Å; Y405-V407 VanDerWaalsContact C-N 3.32Å; Y405-V407 PolarHBondContact O-N 3.02Å; Y405-K408 WeakPolarHBondContact O-CB 3.4Å; Y405-K408 PolarHBondContact O-N 2.98Å; Y405-F409 HydrophobicContact CD1-CZ 4.19Å; Y405-F409 VanDerWaalsContact O-CD2 3.27Å; Y405-F409 WeakPolarHBondContact O-CD2 3.35Å; Y405-F409 VanDerWaalsContact O-CG 3.25Å; Y405-F409 WeakPolarHBondContact O-CG 3.09Å; Y405-F409 PolarHBondContact O-N 3.39Å; Y405-L952 HydrophobicContact CE1-CB 4.48Å; Y405-L952 HydrophobicContact CE2-CD2 4.26Å
406	F	83.6	Confident	78.4	Confident	58 Å²	58	38.8 Å²	38.8	25%	0.254	20%	0.197	S	C	.	.	H	α-helix	trans	-63	-36.6	176.4	-63.8	-40.7	0	0	0	112.8	I379 F382 V383 Y402 I403 F409 F410	I379-F406 HydrophobicContact CG1-CD1 4.02Å; I379-F406 HydrophobicContact CG1-CE1 4.38Å; I379-F406 HydrophobicContact CG2-CD1 4.47Å; I379-F406 HydrophobicContact CG2-CE1 4.04Å; F382-F406 AromaticContact CD1-CE1 3.96Å; F382-F406 HydrophobicContact CD1-CE1 3.96Å; F382-F406 HydrophobicContact CD1-CZ 4.37Å; F382-F406 HydrophobicContact CE1-CE1 4.38Å; F382-F406 HydrophobicContact CE1-CZ 4.48Å; V383-F406 HydrophobicContact CG2-CE1 4.36Å; V383-F406 HydrophobicContact CG2-CZ 4.3Å; Y402-F406 VanDerWaalsContact O-CD2 3.22Å; Y402-F406 WeakPolarHBondContact O-CD2 3.48Å; Y402-F406 WeakPolarHBondContact O-CG 3.5Å; Y402-F406 PolarHBondContact O-N 3.1Å; Y402-F406 VanDerWaalsContact O-N 3.09Å; I403-F406 PolarHBondContact O-N 3.11Å; F406-F409 HydrophobicContact CD1-CD2 4.17Å; F406-F409 HydrophobicContact CD1-CE2 4.44Å; F406-F409 PolarHBondContact O-N 2.93Å; F406-F410 WeakPolarHBondContact O-CB 3.4Å; F406-F410 PolarHBondContact O-N 2.99Å
407	V	78.9	Confident	78.9	Confident	27 Å²	27	35.1 Å²	35.1	16%	0.164	17%	0.172	C	C	.	.	H	α-helix	trans	-66.6	-41.5	173.3	168.5	0	0	0	0	111.5	I115 L119 I403 Q404 Y405 F409 F410 I411	I115-V407 HydrophobicContact CG2-CG1 4.15Å; I115-V407 HydrophobicContact CG2-CG2 4.06Å; L119-V407 HydrophobicContact CD1-CB 4.22Å; L119-V407 HydrophobicContact CD1-CG1 4.29Å; L119-V407 HydrophobicContact CD1-CG2 3.75Å; I403-V407 HydrophobicContact CG2-CG2 4.49Å; I403-V407 WeakPolarHBondContact O-CG2 3.49Å; I403-V407 PolarHBondContact O-N 3.06Å; Q404-V407 PolarHBondContact O-N 3.38Å; Y405-V407 VanDerWaalsContact C-N 3.32Å; Y405-V407 PolarHBondContact O-N 3.02Å; V407-F409 PolarHBondContact O-N 2.6Å; V407-F410 PolarHBondContact O-N 2.97Å; V407-I411 HydrophobicContact CG1-CD1 3.77Å; V407-I411 HydrophobicContact CG1-CG1 4.46Å; V407-I411 VanDerWaalsContact O-CG1 3.31Å; V407-I411 WeakPolarHBondContact O-CG1 3.45Å; V407-I411 PolarHBondContact O-N 3.36Å
408	K	77	Confident	79.3	Confident	31 Å²	31	29.6 Å²	29.6	14%	0.135	15%	0.147	C	C	.	.	H	α-helix	trans	-58.5	-45.8	172.4	-179.1	178.6	175.6	-174.6	0	111.8	Q404 Y405 F410 I411 I412 D867 L952	Q404-K408 PolarHBondContact O-N 3.11Å; Y405-K408 WeakPolarHBondContact O-CB 3.4Å; Y405-K408 PolarHBondContact O-N 2.98Å; K408-F410 VanDerWaalsContact C-N 3.33Å; K408-F410 PolarHBondContact O-N 2.88Å; K408-I411 PolarHBondContact O-N 2.93Å; K408-I412 HydrophobicContact CG-CD1 4.25Å; K408-I412 WeakPolarHBondContact O-CG1 3.19Å; K408-I412 PolarHBondContact O-N 2.88Å; K408-D867 VanDerWaalsContact CE-OD2 3.24Å; K408-D867 WeakPolarHBondContact CE-OD2 3.46Å; K408-D867 IonicContact NZ-OD2 3.3Å; K408-D867 PolarHBondContact NZ-OD2 3.4Å; K408-L952 HydrophobicContact CD-CD1 3.69Å
409	F	85.1	Confident	79.8	Confident	5 Å²	5	29.7 Å²	29.7	2%	0.022	15%	0.147	C	C	.	.	H	α-helix	trans	-64	-37.7	177.1	-56.6	-33.9	0	0	0	112.3	L378 I379 F382 Y405 F406 V407 I412 G413	L378-F409 HydrophobicContact CB-CB 3.97Å; L378-F409 HydrophobicContact CB-CD1 3.8Å; L378-F409 HydrophobicContact CB-CD2 4.12Å; L378-F409 HydrophobicContact CB-CE1 4.3Å; L378-F409 HydrophobicContact CB-CG 3.71Å; L378-F409 HydrophobicContact CD1-CB 4.04Å; L378-F409 HydrophobicContact CD1-CD1 3.9Å; L378-F409 HydrophobicContact CD1-CG 4.22Å; L378-F409 HydrophobicContact CD2-CD1 4.07Å; L378-F409 HydrophobicContact CD2-CE1 4.17Å; L378-F409 HydrophobicContact CG-CD1 4.15Å; L378-F409 HydrophobicContact CG-CG 4.47Å; I379-F409 HydrophobicContact CG1-CD2 4.15Å; F382-F409 HydrophobicContact CB-CE2 3.59Å; F382-F409 HydrophobicContact CB-CZ 3.86Å; F382-F409 HydrophobicContact CD1-CE2 4.35Å; F382-F409 HydrophobicContact CD2-CE2 4.04Å; F382-F409 AromaticContact CD2-CZ 3.86Å; F382-F409 HydrophobicContact CD2-CZ 3.86Å; F382-F409 AromaticContact CG-CE2 3.74Å; F382-F409 HydrophobicContact CG-CE2 3.74Å; F382-F409 AromaticContact CG-CZ 4Å; F382-F409 HydrophobicContact CG-CZ 4Å; Y405-F409 HydrophobicContact CD1-CZ 4.19Å; Y405-F409 VanDerWaalsContact O-CD2 3.27Å; Y405-F409 WeakPolarHBondContact O-CD2 3.35Å; Y405-F409 VanDerWaalsContact O-CG 3.25Å; Y405-F409 WeakPolarHBondContact O-CG 3.09Å; Y405-F409 PolarHBondContact O-N 3.39Å; F406-F409 HydrophobicContact CD1-CD2 4.17Å; F406-F409 HydrophobicContact CD1-CE2 4.44Å; F406-F409 PolarHBondContact O-N 2.93Å; V407-F409 PolarHBondContact O-N 2.6Å; F409-I412 PolarHBondContact O-N 2.84Å; F409-G413 PolarHBondContact O-N 2.85Å
410	F	83.6	Confident	80.1	Confident	102 Å²	102	28.2 Å²	28.2	45%	0.447	14%	0.139	S	C	.	.	H	α-helix	trans	-64.1	-43	173.4	-174.8	-100.9	0	0	0	112.1	I108 A112 F406 V407 K408 I412 G413 V414	I108-F410 HydrophobicContact CG2-CZ 4.49Å; A112-F410 HydrophobicContact CB-CD1 4.39Å; A112-F410 HydrophobicContact CB-CE1 4.32Å; F406-F410 WeakPolarHBondContact O-CB 3.4Å; F406-F410 PolarHBondContact O-N 2.99Å; V407-F410 PolarHBondContact O-N 2.97Å; K408-F410 VanDerWaalsContact C-N 3.33Å; K408-F410 PolarHBondContact O-N 2.88Å; F410-I412 PolarHBondContact O-N 3.38Å; F410-G413 CarbonylContact O-C 3.33Å; F410-G413 WeakPolarHBondContact O-CA 3.12Å; F410-G413 PolarHBondContact O-N 3.46Å; F410-G413 VanDerWaalsContact O-N 3.1Å; F410-V414 HydrophobicContact CD1-CG2 4.06Å; F410-V414 HydrophobicContact CE1-CG2 3.65Å; F410-V414 HydrophobicContact CZ-CG2 3.9Å; F410-V414 WeakPolarHBondContact O-CG2 3.5Å; F410-V414 PolarHBondContact O-N 3.01Å
411	I	78.7	Confident	80.4	Confident	8 Å²	8	28.1 Å²	28.1	4%	0.041	14%	0.138	C	C	.	.	H	α-helix	trans	-62.2	-40.5	175.7	-69.4	162.1	0	0	0	111.4	A112 I155 V407 K408 G413 V414 T415 A872	A112-I411 HydrophobicContact CB-CG1 4.06Å; I155-I411 HydrophobicContact CD1-CG2 4.35Å; V407-I411 HydrophobicContact CG1-CD1 3.77Å; V407-I411 HydrophobicContact CG1-CG1 4.46Å; V407-I411 VanDerWaalsContact O-CG1 3.31Å; V407-I411 WeakPolarHBondContact O-CG1 3.45Å; V407-I411 PolarHBondContact O-N 3.36Å; K408-I411 PolarHBondContact O-N 2.93Å; I411-G413 VanDerWaalsContact C-N 3.33Å; I411-G413 PolarHBondContact O-N 2.92Å; I411-V414 PolarHBondContact O-N 3.46Å; I411-T415 WeakPolarHBondContact O-CB 3.4Å; I411-T415 PolarHBondContact O-N 3.36Å; I411-T415 PolarHBondContact O-OG1 3.04Å; I411-A872 HydrophobicContact CG2-CB 4.45Å
412	I	79.9	Confident	80.3	Confident	14 Å²	14	25.8 Å²	25.8	7%	0.072	13%	0.126	C	C	.	.	H	α-helix	trans	-60.4	-44.3	172	-67.7	166.6	0	0	0	110.1	T374 L378 K408 F409 F410 T415 V416	T374-I412 HydrophobicContact CG2-CG2 4.33Å; L378-I412 HydrophobicContact CD1-CB 4.32Å; L378-I412 HydrophobicContact CD1-CD1 4.31Å; L378-I412 HydrophobicContact CD1-CG2 4.04Å; K408-I412 HydrophobicContact CG-CD1 4.25Å; K408-I412 WeakPolarHBondContact O-CG1 3.19Å; K408-I412 PolarHBondContact O-N 2.88Å; F409-I412 PolarHBondContact O-N 2.84Å; F410-I412 PolarHBondContact O-N 3.38Å; I412-T415 WeakPolarHBondContact O-CB 3.34Å; I412-T415 PolarHBondContact O-N 3.43Å; I412-V416 WeakPolarHBondContact O-CG2 3.33Å; I412-V416 PolarHBondContact O-N 2.87Å
413	G	84.2	Confident	79.9	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.8	-48.1	174.2	0	0	0	0	0	114.1	S371 F409 F410 I411 T415 V416 L417	S371-G413 WeakPolarHBondContact CB-O 3.39Å; S371-G413 VanDerWaalsContact OG-C 3.29Å; S371-G413 PolarHBondContact OG-O 2.96Å; F409-G413 PolarHBondContact O-N 2.85Å; F410-G413 CarbonylContact O-C 3.33Å; F410-G413 WeakPolarHBondContact O-CA 3.12Å; F410-G413 PolarHBondContact O-N 3.46Å; F410-G413 VanDerWaalsContact O-N 3.1Å; I411-G413 VanDerWaalsContact C-N 3.33Å; I411-G413 PolarHBondContact O-N 2.92Å; G413-T415 VanDerWaalsContact C-N 3.34Å; G413-V416 PolarHBondContact O-N 3.29Å; G413-L417 PolarHBondContact O-N 3.05Å
414	V	82.1	Confident	79.3	Confident	7 Å²	7	24.6 Å²	24.6	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-64	-39.9	176.6	176.3	0	0	0	0	110.7	I108 L109 F410 I411 V416 L417 V418	I108-V414 HydrophobicContact CG2-CG1 4.05Å; I108-V414 HydrophobicContact CG2-CG2 3.73Å; L109-V414 HydrophobicContact CB-CG1 4.13Å; L109-V414 HydrophobicContact CD1-CG1 4.03Å; F410-V414 HydrophobicContact CD1-CG2 4.06Å; F410-V414 HydrophobicContact CE1-CG2 3.65Å; F410-V414 HydrophobicContact CZ-CG2 3.9Å; F410-V414 WeakPolarHBondContact O-CG2 3.5Å; F410-V414 PolarHBondContact O-N 3.01Å; I411-V414 PolarHBondContact O-N 3.46Å; V414-V416 PolarHBondContact O-N 3.12Å; V414-L417 WeakPolarHBondContact O-CB 3.47Å; V414-L417 PolarHBondContact O-N 3.41Å; V414-L417 VanDerWaalsContact O-N 3.1Å; V414-V418 HydrophobicContact CG1-CG2 4.27Å; V414-V418 WeakPolarHBondContact O-CG2 3.13Å; V414-V418 PolarHBondContact O-N 3.44Å
415	T	78.3	Confident	79.3	Confident	15 Å²	15	22.5 Å²	22.5	9%	0.092	11%	0.11	C	C	.	.	H	α-helix	trans	-60.8	-43.3	175.3	-55.4	0	0	0	0	111.6	I411 I412 G413 L417 V418 V419 A872 M875	I411-T415 WeakPolarHBondContact O-CB 3.4Å; I411-T415 PolarHBondContact O-N 3.36Å; I411-T415 PolarHBondContact O-OG1 3.04Å; I412-T415 WeakPolarHBondContact O-CB 3.34Å; I412-T415 PolarHBondContact O-N 3.43Å; G413-T415 VanDerWaalsContact C-N 3.34Å; T415-L417 VanDerWaalsContact C-N 3.3Å; T415-L417 PolarHBondContact O-N 3.07Å; T415-V418 PolarHBondContact O-N 3.2Å; T415-V419 PolarHBondContact O-N 3.07Å; T415-V419 VanDerWaalsContact O-N 3.12Å; T415-A872 HydrophobicContact CG2-CB 4.47Å; T415-M875 HydrophobicContact CG2-CB 3.56Å; T415-M875 HydrophobicContact CG2-CG 3.73Å
416	V	83.3	Confident	78.8	Confident	3 Å²	3	23 Å²	23	2%	0.018	12%	0.121	C	C	.	.	H	α-helix	trans	-61.9	-37.8	173.7	170.1	0	0	0	0	111.4	I412 G413 V414 A420 V855 A858	I412-V416 WeakPolarHBondContact O-CG2 3.33Å; I412-V416 PolarHBondContact O-N 2.87Å; G413-V416 PolarHBondContact O-N 3.29Å; V414-V416 PolarHBondContact O-N 3.12Å; V416-A420 WeakPolarHBondContact O-CB 3.47Å; V416-A420 PolarHBondContact O-N 3.26Å; V416-V855 HydrophobicContact CG1-CG1 4.48Å; V416-A858 HydrophobicContact CG2-CB 3.7Å
417	L	84	Confident	78.2	Confident	26 Å²	26	21.2 Å²	21.2	14%	0.136	11%	0.114	C	C	.	.	H	α-helix	trans	-67.4	-47.8	177.3	-179	60.3	0	0	0	112.2	L368 G413 V414 T415 V419 A420 V421	L368-L417 HydrophobicContact CB-CD1 4.23Å; L368-L417 HydrophobicContact CD1-CD1 4.38Å; L368-L417 HydrophobicContact CD1-CD2 4.29Å; G413-L417 PolarHBondContact O-N 3.05Å; V414-L417 WeakPolarHBondContact O-CB 3.47Å; V414-L417 PolarHBondContact O-N 3.41Å; V414-L417 VanDerWaalsContact O-N 3.1Å; T415-L417 VanDerWaalsContact C-N 3.3Å; T415-L417 PolarHBondContact O-N 3.07Å; L417-V419 VanDerWaalsContact C-N 3.29Å; L417-V419 PolarHBondContact O-N 2.99Å; L417-A420 PolarHBondContact O-N 2.88Å; L417-A420 VanDerWaalsContact O-N 3.12Å; L417-V421 HydrophobicContact CD1-CG2 3.95Å; L417-V421 WeakPolarHBondContact O-CG2 3.37Å; L417-V421 PolarHBondContact O-N 3.47Å
418	V	79.2	Confident	78.2	Confident	5 Å²	5	20 Å²	20	3%	0.03	11%	0.106	C	C	.	.	H	α-helix	trans	-62	-33.9	180	170.7	0	0	0	0	112.2	V414 T415 L876 N879	V414-V418 HydrophobicContact CG1-CG2 4.27Å; V414-V418 WeakPolarHBondContact O-CG2 3.13Å; V414-V418 PolarHBondContact O-N 3.44Å; T415-V418 PolarHBondContact O-N 3.2Å; V418-L876 HydrophobicContact CG1-CD2 4.08Å; V418-N879 PolarHBondContact O-ND2 3.42Å
419	V	80.1	Confident	78.2	Confident	3 Å²	3	19.1 Å²	19.1	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-84.2	-25.1	174.6	177.3	0	0	0	0	112.6	T415 L417 N851 A854 M875	T415-V419 PolarHBondContact O-N 3.07Å; T415-V419 VanDerWaalsContact O-N 3.12Å; L417-V419 VanDerWaalsContact C-N 3.29Å; L417-V419 PolarHBondContact O-N 2.99Å; V419-N851 PolarHBondContact O-ND2 3.18Å; V419-A854 HydrophobicContact CG1-CB 3.53Å; V419-M875 HydrophobicContact CB-CE 4.36Å; V419-M875 HydrophobicContact CG1-CE 4.27Å; V419-M875 HydrophobicContact CG2-CB 3.94Å; V419-M875 HydrophobicContact CG2-CE 4.04Å
420	A	83.1	Confident	77.8	Confident	6 Å²	6	20.7 Å²	20.7	5%	0.05	11%	0.114	C	C	.	.	H	α-helix	trans	-73.6	-33.2	175.3	0	0	0	0	0	112.8	I363 G367 V416 L417 P422 N851 V855	I363-A420 WeakPolarHBondContact CG2-O 3.4Å; G367-A420 VanDerWaalsContact CA-CB 3.45Å; V416-A420 WeakPolarHBondContact O-CB 3.47Å; V416-A420 PolarHBondContact O-N 3.26Å; L417-A420 PolarHBondContact O-N 2.88Å; L417-A420 VanDerWaalsContact O-N 3.12Å; A420-P422 WeakPolarHBondContact O-CD 3.48Å; A420-N851 PolarHBondContact O-ND2 2.79Å; A420-V855 HydrophobicContact CB-CG2 3.73Å
421	V	79.3	Confident	77.6	Confident	34 Å²	34	16.4 Å²	16.4	21%	0.206	10%	0.095	C	C	.	.	S	Bend	trans	-87.9	113.4	179.7	177.6	0	0	0	0	110.4	L417 E423	L417-V421 HydrophobicContact CD1-CG2 3.95Å; L417-V421 WeakPolarHBondContact O-CG2 3.37Å; L417-V421 PolarHBondContact O-N 3.47Å; V421-E423 HydrophobicContact CG1-CG 4.19Å; V421-E423 PolarHBondContact O-N 3.26Å; V421-E423 VanDerWaalsContact O-N 3.16Å
422	P	73	Confident	77.8	Confident	5 Å²	5	16 Å²	16	3%	0.032	9%	0.094	C	C	.	.			trans	-87.2	85.8	-179.8	35.4	-34.9	0	0	0	110.9	I363 A420 G424 L425 Q847 D883	I363-P422 HydrophobicContact CD1-CG 4.25Å; I363-P422 HydrophobicContact CG2-CG 4.24Å; A420-P422 WeakPolarHBondContact O-CD 3.48Å; P422-G424 PolarHBondContact O-N 2.95Å; P422-L425 HydrophobicContact CB-CD1 4.32Å; P422-L425 HydrophobicContact CB-CD2 4.42Å; P422-L425 HydrophobicContact CB-CG 3.91Å; P422-L425 HydrophobicContact CG-CD1 3.61Å; P422-L425 HydrophobicContact CG-CG 3.75Å; P422-L425 WeakPolarHBondContact O-CG 3.49Å; P422-L425 PolarHBondContact O-N 3.42Å; P422-Q847 HydrophobicContact CB-CG 3.94Å; P422-D883 WeakPolarHBondContact CA-OD2 3.44Å
423	E	72.1	Confident	77.9	Confident	57 Å²	57	16.2 Å²	16.2	27%	0.266	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.2	-179.7	-65.2	174.6	-174.5	0	0	112.2	T105 V421 L425 P426 D883	T105-E423 PolarHBondContact OG1-OE1 3.5Å; V421-E423 HydrophobicContact CG1-CG 4.19Å; V421-E423 PolarHBondContact O-N 3.26Å; V421-E423 VanDerWaalsContact O-N 3.16Å; E423-L425 VanDerWaalsContact C-N 3.28Å; E423-L425 PolarHBondContact O-N 3.26Å; E423-P426 VanDerWaalsContact O-CD 3.26Å; E423-P426 WeakPolarHBondContact O-CD 3.5Å; E423-D883 PolarHBondContact N-OD2 3.44Å; E423-D883 VanDerWaalsContact N-OD2 3.15Å
424	G	67.9	Low	77.7	Confident	3 Å²	3	16.3 Å²	16.3	3%	0.031	10%	0.095	C	C	.	.	H	α-helix	trans	-69.1	-10.9	178.2	0	0	0	0	0	115.9	P422 L427 A428 D883	P422-G424 PolarHBondContact O-N 2.95Å; G424-L427 PolarHBondContact O-N 3.45Å; G424-A428 WeakPolarHBondContact O-CB 3.44Å; G424-A428 PolarHBondContact O-N 3.07Å; G424-D883 WeakPolarHBondContact CA-OD2 3.48Å; G424-D883 PolarHBondContact N-OD2 2.94Å
425	L	74.4	Confident	77.8	Confident	3 Å²	3	17.8 Å²	17.8	2%	0.016	10%	0.1	C	C	.	.	H	α-helix	trans	-58.7	-49.4	-176	-69.8	-170.7	0	0	0	114.5	L356 A360 P422 E423 L427 F843 L844 Q847	L356-L425 HydrophobicContact CD2-CD1 4.37Å; A360-L425 HydrophobicContact CB-CD1 4.14Å; P422-L425 HydrophobicContact CB-CD1 4.32Å; P422-L425 HydrophobicContact CB-CD2 4.42Å; P422-L425 HydrophobicContact CB-CG 3.91Å; P422-L425 HydrophobicContact CG-CD1 3.61Å; P422-L425 HydrophobicContact CG-CG 3.75Å; P422-L425 WeakPolarHBondContact O-CG 3.49Å; P422-L425 PolarHBondContact O-N 3.42Å; E423-L425 VanDerWaalsContact C-N 3.28Å; E423-L425 PolarHBondContact O-N 3.26Å; L425-L427 VanDerWaalsContact C-N 3.35Å; L425-F843 HydrophobicContact CD2-CE1 3.8Å; L425-F843 HydrophobicContact CD2-CZ 4.48Å; L425-L844 HydrophobicContact CD1-CD2 4.48Å; L425-L844 HydrophobicContact CD2-CD2 3.52Å; L425-L844 HydrophobicContact CD2-CG 4.5Å; L425-Q847 HydrophobicContact CD2-CG 4.46Å
426	P	67.9	Low	78.1	Confident	72 Å²	72	17 Å²	17	47%	0.468	10%	0.096	S	C	.	.	H	α-helix	trans	-73	-30.6	178.7	-14.7	32	0	0	0	112.1	E423 T430	E423-P426 VanDerWaalsContact O-CD 3.26Å; E423-P426 WeakPolarHBondContact O-CD 3.5Å; P426-T430 PolarHBondContact O-N 2.88Å; P426-T430 PolarHBondContact O-OG1 3.38Å
427	L	71.3	Confident	78.1	Confident	19 Å²	19	17 Å²	17	10%	0.099	10%	0.096	C	C	.	.	H	α-helix	trans	-65.7	-46.9	179	-178.9	56.5	0	0	0	111	G424 L425 V429 T430 I431	G424-L427 PolarHBondContact O-N 3.45Å; L425-L427 VanDerWaalsContact C-N 3.35Å; L427-V429 VanDerWaalsContact C-N 3.34Å; L427-V429 PolarHBondContact O-N 3.32Å; L427-T430 PolarHBondContact O-N 3.33Å; L427-I431 HydrophobicContact CD1-CD1 3.86Å; L427-I431 HydrophobicContact CD1-CG1 4.12Å; L427-I431 HydrophobicContact CG-CD1 3.74Å; L427-I431 HydrophobicContact CG-CG1 4.42Å; L427-I431 WeakPolarHBondContact O-CG1 3.21Å; L427-I431 PolarHBondContact O-N 3.42Å
428	A	77.3	Confident	78.1	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-57.7	-41.1	178.3	0	0	0	0	0	113.4	G424 S432 F843	G424-A428 WeakPolarHBondContact O-CB 3.44Å; G424-A428 PolarHBondContact O-N 3.07Å; A428-S432 WeakPolarHBondContact O-CB 3.4Å; A428-S432 PolarHBondContact O-N 3.38Å; A428-F843 HydrophobicContact CB-CD1 3.33Å; A428-F843 HydrophobicContact CB-CE1 3.25Å; A428-F843 HydrophobicContact CB-CG 4.14Å; A428-F843 HydrophobicContact CB-CZ 4.02Å
429	V	78.1	Confident	78.5	Confident	14 Å²	14	24.6 Å²	24.6	9%	0.085	13%	0.127	C	C	.	.	H	α-helix	trans	-57.7	-52.1	172.9	-177.1	0	0	0	0	109.8	L356 L427 I431 S432 L433 I840	L356-V429 HydrophobicContact CD1-CG2 3.15Å; L427-V429 VanDerWaalsContact C-N 3.34Å; L427-V429 PolarHBondContact O-N 3.32Å; V429-I431 VanDerWaalsContact C-N 3.34Å; V429-I431 PolarHBondContact O-N 3.16Å; V429-S432 PolarHBondContact O-N 3.31Å; V429-L433 VanDerWaalsContact O-CB 3.26Å; V429-L433 WeakPolarHBondContact O-CB 3.42Å; V429-L433 PolarHBondContact O-N 2.92Å; V429-I840 HydrophobicContact CB-CD1 4.27Å; V429-I840 HydrophobicContact CG1-CD1 4.11Å; V429-I840 HydrophobicContact CG2-CD1 4.15Å
430	T	75.5	Confident	78.9	Confident	37 Å²	37	24.5 Å²	24.5	23%	0.227	13%	0.126	C	C	.	.	H	α-helix	trans	-67.9	-35.6	-172	-42	0	0	0	0	111.6	K173 F177 P426 L427 A434	K173-T430 HydrophobicContact CD-CG2 3.53Å; K173-T430 HydrophobicContact CG-CG2 4.14Å; F177-T430 HydrophobicContact CE2-CG2 3.99Å; F177-T430 HydrophobicContact CZ-CG2 4Å; P426-T430 PolarHBondContact O-N 2.88Å; P426-T430 PolarHBondContact O-OG1 3.38Å; L427-T430 PolarHBondContact O-N 3.33Å; T430-A434 VanDerWaalsContact O-CB 3.24Å; T430-A434 WeakPolarHBondContact O-CB 3.38Å; T430-A434 PolarHBondContact O-N 2.98Å
431	I	80.2	Confident	79	Confident	13 Å²	13	26 Å²	26	7%	0.067	13%	0.133	C	C	.	.	H	α-helix	trans	-65.6	-49.5	172.4	-67.3	168.9	0	0	0	110.9	N169 L427 V429 L433 A434 Y435 L888 A891	N169-I431 WeakPolarHBondContact ND2-CD1 3.36Å; N169-I431 WeakPolarHBondContact OD1-CD1 3.45Å; L427-I431 HydrophobicContact CD1-CD1 3.86Å; L427-I431 HydrophobicContact CD1-CG1 4.12Å; L427-I431 HydrophobicContact CG-CD1 3.74Å; L427-I431 HydrophobicContact CG-CG1 4.42Å; L427-I431 WeakPolarHBondContact O-CG1 3.21Å; L427-I431 PolarHBondContact O-N 3.42Å; V429-I431 VanDerWaalsContact C-N 3.34Å; V429-I431 PolarHBondContact O-N 3.16Å; I431-L433 VanDerWaalsContact C-N 3.26Å; I431-L433 PolarHBondContact O-N 2.89Å; I431-A434 PolarHBondContact O-N 2.7Å; I431-Y435 VanDerWaalsContact O-CB 3.26Å; I431-Y435 WeakPolarHBondContact O-CB 3.38Å; I431-Y435 PolarHBondContact O-N 2.54Å; I431-L888 HydrophobicContact CG2-CD1 4.1Å; I431-A891 HydrophobicContact CG2-CB 4.46Å
432	S	83.2	Confident	79.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.2	-41.9	178.8	-158.8	0	0	0	0	111.4	A428 V429 S436 A891	A428-S432 WeakPolarHBondContact O-CB 3.4Å; A428-S432 PolarHBondContact O-N 3.38Å; V429-S432 PolarHBondContact O-N 3.31Å; S432-S436 WeakPolarHBondContact O-CB 3.25Å; S432-S436 PolarHBondContact O-N 2.92Å; S432-S436 PolarHBondContact O-OG 3.43Å; S432-A891 PolarHBondContact OG-O 3.46Å
433	L	81.9	Confident	80.1	Confident	18 Å²	18	35 Å²	35	9%	0.094	17%	0.171	C	C	.	.	H	α-helix	trans	-71.4	-48.1	-177.9	-155.4	61.6	0	0	0	111.8	V429 I431 Y435 S436 V437 L450 C453 V836	V429-L433 VanDerWaalsContact O-CB 3.26Å; V429-L433 WeakPolarHBondContact O-CB 3.42Å; V429-L433 PolarHBondContact O-N 2.92Å; I431-L433 VanDerWaalsContact C-N 3.26Å; I431-L433 PolarHBondContact O-N 2.89Å; L433-Y435 PolarHBondContact O-N 3.08Å; L433-S436 PolarHBondContact O-N 3.4Å; L433-V437 WeakPolarHBondContact O-CB 3.24Å; L433-V437 WeakPolarHBondContact O-CG2 3.35Å; L433-V437 PolarHBondContact O-N 3.28Å; L433-L450 WeakPolarHBondContact CD1-O 3.45Å; L433-L450 HydrophobicContact CD2-CB 3.72Å; L433-L450 HydrophobicContact CG-CB 4.23Å; L433-C453 HydrophobicContact CD1-CB 3.86Å; L433-V836 HydrophobicContact CD1-CG1 4.16Å; L433-V836 HydrophobicContact CD1-CG2 4.4Å
434	A	79.9	Confident	81	Confident	2 Å²	2	35 Å²	35	2%	0.017	17%	0.173	C	C	.	.	H	α-helix	trans	-61.8	-42.8	177.2	0	0	0	0	0	112.2	F177 T430 I431 K438	F177-A434 HydrophobicContact CE1-CB 4.02Å; F177-A434 HydrophobicContact CE2-CB 4.37Å; F177-A434 HydrophobicContact CZ-CB 3.79Å; T430-A434 VanDerWaalsContact O-CB 3.24Å; T430-A434 WeakPolarHBondContact O-CB 3.38Å; T430-A434 PolarHBondContact O-N 2.98Å; I431-A434 PolarHBondContact O-N 2.7Å; A434-K438 WeakPolarHBondContact O-CB 3.39Å; A434-K438 PolarHBondContact O-N 3.15Å; A434-K438 VanDerWaalsContact O-N 3.09Å
435	Y	82.8	Confident	82.1	Confident	37 Å²	37	34.8 Å²	34.8	15%	0.145	17%	0.171	C	C	.	.	H	α-helix	trans	-64.8	-45.6	174.8	177.4	-98.4	0	0	0	111.8	I431 L433 K438 K439 T892 I996	I431-Y435 VanDerWaalsContact O-CB 3.26Å; I431-Y435 WeakPolarHBondContact O-CB 3.38Å; I431-Y435 PolarHBondContact O-N 2.54Å; L433-Y435 PolarHBondContact O-N 3.08Å; Y435-K438 PolarHBondContact O-N 3.02Å; Y435-K439 HydrophobicContact CD1-CG 4.44Å; Y435-K439 HydrophobicContact CE1-CG 4.23Å; Y435-K439 VanDerWaalsContact O-CG 3.27Å; Y435-K439 WeakPolarHBondContact O-CG 3.37Å; Y435-K439 PolarHBondContact O-N 2.96Å; Y435-K439 VanDerWaalsContact O-N 3.11Å; Y435-K439 VanDerWaalsContact OH-CE 3.25Å; Y435-K439 WeakPolarHBondContact OH-CE 3.35Å; Y435-K439 PolarHBondContact OH-NZ 3.11Å; Y435-K439 VanDerWaalsContact OH-NZ 3.17Å; Y435-T892 HydrophobicContact CD1-CG2 4.06Å; Y435-T892 HydrophobicContact CD2-CG2 3.97Å; Y435-T892 HydrophobicContact CE1-CG2 4.26Å; Y435-T892 WeakPolarHBondContact CE1-O 3.14Å; Y435-T892 HydrophobicContact CE2-CG2 4.18Å; Y435-T892 HydrophobicContact CG-CG2 3.89Å; Y435-T892 PolarHBondContact OH-O 3.12Å; Y435-T892 VanDerWaalsContact OH-O 3.12Å; Y435-I996 HydrophobicContact CE2-CD1 4.16Å
436	S	86.4	Confident	82.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-44.3	179.8	-63.4	0	0	0	0	111.9	S432 L433 K438 K439 M440 V836	S432-S436 WeakPolarHBondContact O-CB 3.25Å; S432-S436 PolarHBondContact O-N 2.92Å; S432-S436 PolarHBondContact O-OG 3.43Å; L433-S436 PolarHBondContact O-N 3.4Å; S436-K438 PolarHBondContact O-N 3.19Å; S436-K439 CarbonylContact O-C 3.59Å; S436-K439 PolarHBondContact O-N 3.38Å; S436-K439 VanDerWaalsContact O-N 3.08Å; S436-M440 WeakPolarHBondContact O-CB 3.44Å; S436-M440 WeakPolarHBondContact O-CG 3.24Å; S436-M440 PolarHBondContact O-N 2.95Å; S436-V836 WeakPolarHBondContact OG-CG2 3.44Å
437	V	83.5	Confident	83.7	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-61.1	-43.1	175.6	169.5	0	0	0	0	111.5	L180 L433 K439 M440 M441 V447 L450 C453	L180-V437 HydrophobicContact CD1-CB 4.4Å; L180-V437 HydrophobicContact CD1-CG1 3.66Å; L180-V437 HydrophobicContact CD2-CG1 4.1Å; L433-V437 WeakPolarHBondContact O-CB 3.24Å; L433-V437 WeakPolarHBondContact O-CG2 3.35Å; L433-V437 PolarHBondContact O-N 3.28Å; V437-K439 PolarHBondContact O-N 3.48Å; V437-M440 PolarHBondContact O-N 3.17Å; V437-M441 PolarHBondContact O-N 3.27Å; V437-V447 HydrophobicContact CG1-CB 3.93Å; V437-V447 HydrophobicContact CG1-CG2 4.42Å; V437-V447 HydrophobicContact CG2-CB 3.97Å; V437-V447 HydrophobicContact CG2-CG1 4.06Å; V437-V447 HydrophobicContact CG2-CG2 4.16Å; V437-L450 HydrophobicContact CG2-CD2 3.99Å; V437-C453 HydrophobicContact CG2-CB 4.38Å
438	K	83.7	Confident	84.2	Confident	107 Å²	107	34.1 Å²	34.1	47%	0.465	16%	0.159	S	C	.	.	H	α-helix	trans	-61.6	-26.7	175.3	-176	176.1	178.3	180	0	113.3	A434 Y435 S436	A434-K438 WeakPolarHBondContact O-CB 3.39Å; A434-K438 PolarHBondContact O-N 3.15Å; A434-K438 VanDerWaalsContact O-N 3.09Å; Y435-K438 PolarHBondContact O-N 3.02Å; S436-K438 PolarHBondContact O-N 3.19Å
439	K	87.7	Confident	84.3	Confident	84 Å²	84	37.2 Å²	37.2	37%	0.365	17%	0.173	S	C	.	.	H	α-helix	trans	-85.7	-41.7	174	-62.2	-80.9	-174.9	159.6	0	112	Y435 S436 V437 M441 K442 D443 W832	Y435-K439 HydrophobicContact CD1-CG 4.44Å; Y435-K439 HydrophobicContact CE1-CG 4.23Å; Y435-K439 VanDerWaalsContact O-CG 3.27Å; Y435-K439 WeakPolarHBondContact O-CG 3.37Å; Y435-K439 PolarHBondContact O-N 2.96Å; Y435-K439 VanDerWaalsContact O-N 3.11Å; Y435-K439 VanDerWaalsContact OH-CE 3.25Å; Y435-K439 WeakPolarHBondContact OH-CE 3.35Å; Y435-K439 PolarHBondContact OH-NZ 3.11Å; Y435-K439 VanDerWaalsContact OH-NZ 3.17Å; S436-K439 CarbonylContact O-C 3.59Å; S436-K439 PolarHBondContact O-N 3.38Å; S436-K439 VanDerWaalsContact O-N 3.08Å; V437-K439 PolarHBondContact O-N 3.48Å; K439-M441 PolarHBondContact O-N 3.02Å; K439-K442 WeakPolarHBondContact O-CA 3.38Å; K439-K442 WeakPolarHBondContact O-CB 3.32Å; K439-K442 PolarHBondContact O-N 2.93Å; K439-D443 PolarHBondContact O-N 3.41Å; K439-W832 HydrophobicContact CB-CH2 3.34Å; K439-W832 HydrophobicContact CB-CZ2 3.34Å; K439-W832 HydrophobicContact CB-CZ3 4.02Å; K439-W832 HydrophobicContact CD-CH2 4.38Å; K439-W832 HydrophobicContact CG-CH2 3.65Å; K439-W832 HydrophobicContact CG-CZ2 4.1Å; K439-W832 HydrophobicContact CG-CZ3 4.31Å
440	M	87.5	Confident	84.3	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-54.4	-40.5	172.6	-78.8	-176.4	65.6	0	0	111.8	S436 V437 K442 D443 N444 N445 V447 C453 I816 A829 W832	S436-M440 WeakPolarHBondContact O-CB 3.44Å; S436-M440 WeakPolarHBondContact O-CG 3.24Å; S436-M440 PolarHBondContact O-N 2.95Å; V437-M440 PolarHBondContact O-N 3.17Å; M440-K442 VanDerWaalsContact C-N 3.26Å; M440-K442 PolarHBondContact O-N 2.95Å; M440-D443 CarbonylContact O-C 3.29Å; M440-D443 VanDerWaalsContact O-CA 3.24Å; M440-D443 WeakPolarHBondContact O-CA 3.48Å; M440-D443 WeakPolarHBondContact O-CB 3.48Å; M440-D443 PolarHBondContact O-N 2.87Å; M440-N444 PolarHBondContact O-N 2.98Å; M440-N445 CarbonylContact C-O 3.29Å; M440-N445 HydrophobicContact CB-CB 4.01Å; M440-N445 HydrophobicContact CE-CB 3.77Å; M440-N445 PolarHBondContact O-N 2.97Å; M440-V447 HydrophobicContact CB-CG2 4.43Å; M440-V447 HydrophobicContact CE-CG2 3.54Å; M440-V447 HydrophobicContact SD-CG2 4.01Å; M440-C453 HydrophobicContact SD-CB 4.41Å; M440-C453 PolarHBondContact SD-SG 2.88Å; M440-I816 HydrophobicContact CE-CD1 4.3Å; M440-A829 HydrophobicContact CE-CB 3.7Å; M440-W832 HydrophobicContact CG-CB 3.69Å; M440-W832 HydrophobicContact CG-CD2 4.03Å; M440-W832 HydrophobicContact CG-CG 3.45Å; M440-W832 VanDerWaalsContact CG-CG 3.45Å; M440-W832 HydrophobicContact SD-CB 3.63Å; M440-W832 HydrophobicContact SD-CG 4.11Å
441	M	84.8	Confident	84.6	Confident	39 Å²	39	40.5 Å²	40.5	19%	0.192	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-32.7	173.5	-175.6	-167.1	65.8	0	0	112.8	L180 R183 V437 K439 D443 N444 N445 L446	L180-M441 HydrophobicContact CD2-CE 4.48Å; L180-M441 HydrophobicContact CD2-SD 3.86Å; R183-M441 WeakPolarHBondContact CD-SD 3.44Å; V437-M441 PolarHBondContact O-N 3.27Å; K439-M441 PolarHBondContact O-N 3.02Å; M441-D443 VanDerWaalsContact C-N 3.35Å; M441-N444 PolarHBondContact O-N 3.05Å; M441-N445 WeakPolarHBondContact CA-O 3.03Å; M441-N445 PolarHBondContact N-O 2.96Å; M441-N445 VanDerWaalsContact N-O 3.15Å; M441-L446 HydrophobicContact CG-CD1 4.31Å
442	K	87.2	Confident	84.9	Confident	176 Å²	176	40 Å²	40	77%	0.765	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-26.3	171.7	-172.1	-178.6	175.5	-173.7	0	112	K439 M440 N444	K439-K442 WeakPolarHBondContact O-CA 3.38Å; K439-K442 WeakPolarHBondContact O-CB 3.32Å; K439-K442 PolarHBondContact O-N 2.93Å; M440-K442 VanDerWaalsContact C-N 3.26Å; M440-K442 PolarHBondContact O-N 2.95Å; K442-N444 PolarHBondContact O-N 3.47Å
443	D	89.5	Confident	85.1	Confident	51 Å²	51	40 Å²	40	27%	0.273	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	26.7	171.3	-81.1	-40.4	0	0	0	112.9	K439 M440 M441 N445 K828 W832	K439-D443 PolarHBondContact O-N 3.41Å; M440-D443 CarbonylContact O-C 3.29Å; M440-D443 VanDerWaalsContact O-CA 3.24Å; M440-D443 WeakPolarHBondContact O-CA 3.48Å; M440-D443 WeakPolarHBondContact O-CB 3.48Å; M440-D443 PolarHBondContact O-N 2.87Å; M441-D443 VanDerWaalsContact C-N 3.35Å; D443-N445 PolarHBondContact O-N 3.38Å; D443-N445 PolarHBondContact O-ND2 3.1Å; D443-K828 HydrophobicContact CB-CD 3.75Å; D443-K828 IonicContact OD1-NZ 3.76Å; D443-W832 PolarHBondContact OD2-NE1 3.33Å
444	N	89.9	Confident	85.4	Confident	56 Å²	56	39.6 Å²	39.6	30%	0.299	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	16.8	177.6	-53.8	-22.8	0	0	0	116.3	M440 M441 K442 T819 D820	M440-N444 PolarHBondContact O-N 2.98Å; M441-N444 PolarHBondContact O-N 3.05Å; K442-N444 PolarHBondContact O-N 3.47Å; N444-T819 WeakPolarHBondContact CA-OG1 3.34Å; N444-T819 PolarHBondContact O-N 3.1Å; N444-T819 PolarHBondContact O-OG1 3.33Å; N444-D820 HydrophobicContact CB-CB 4.02Å; N444-D820 VanDerWaalsContact CB-CG 3.46Å; N444-D820 WeakPolarHBondContact CB-OD2 3.47Å; N444-D820 PolarHBondContact ND2-OD2 3.29Å
445	N	90.6	Very high	85.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	101.7	176.4	-74.2	-96.2	0	0	0	110.6	M440 M441 D443 V447 I816 L818 S825	M440-N445 CarbonylContact C-O 3.29Å; M440-N445 HydrophobicContact CB-CB 4.01Å; M440-N445 HydrophobicContact CE-CB 3.77Å; M440-N445 PolarHBondContact O-N 2.97Å; M441-N445 WeakPolarHBondContact CA-O 3.03Å; M441-N445 PolarHBondContact N-O 2.96Å; M441-N445 VanDerWaalsContact N-O 3.15Å; D443-N445 PolarHBondContact O-N 3.38Å; D443-N445 PolarHBondContact O-ND2 3.1Å; N445-V447 PolarHBondContact O-N 2.86Å; N445-I816 HydrophobicContact CB-CG2 4.21Å; N445-L818 WeakPolarHBondContact OD1-CD2 3.35Å; N445-S825 WeakPolarHBondContact ND2-CB 3.37Å; N445-S825 PolarHBondContact ND2-O 3.44Å; N445-S825 PolarHBondContact OD1-O 2.65Å; N445-S825 VanDerWaalsContact OD1-O 3.1Å
446	L	89.1	Confident	86.2	Confident	5 Å²	5	38.5 Å²	38.5	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	99.4	176.5	-177.7	65.5	0	0	0	110.1	I184 E187 M441 I816 I817 T819	I184-L446 HydrophobicContact CG1-CD1 3.88Å; I184-L446 HydrophobicContact CG1-CD2 4.12Å; I184-L446 HydrophobicContact CG1-CG 4.19Å; E187-L446 WeakPolarHBondContact OE2-CD2 3.42Å; M441-L446 HydrophobicContact CG-CD1 4.31Å; L446-I816 WeakPolarHBondContact O-CA 3.35Å; L446-I817 HydrophobicContact CB-CB 4.29Å; L446-I817 PolarHBondContact N-O 3.5Å; L446-I817 PolarHBondContact O-N 3.12Å; L446-T819 HydrophobicContact CB-CG2 3.96Å
447	V	87.6	Confident	86.4	Confident	7 Å²	7	38.7 Å²	38.7	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.7	-179.6	-177.2	0	0	0	0	110.3	V437 M440 N445 H449 C453 I816	V437-V447 HydrophobicContact CG1-CB 3.93Å; V437-V447 HydrophobicContact CG1-CG2 4.42Å; V437-V447 HydrophobicContact CG2-CB 3.97Å; V437-V447 HydrophobicContact CG2-CG1 4.06Å; V437-V447 HydrophobicContact CG2-CG2 4.16Å; M440-V447 HydrophobicContact CB-CG2 4.43Å; M440-V447 HydrophobicContact CE-CG2 3.54Å; M440-V447 HydrophobicContact SD-CG2 4.01Å; N445-V447 PolarHBondContact O-N 2.86Å; V447-H449 WeakPolarHBondContact CG1-O 3.2Å; V447-C453 HydrophobicContact CG1-CB 4.46Å; V447-I816 HydrophobicContact CG1-CG1 4.39Å; V447-I816 HydrophobicContact CG2-CD1 4.28Å; V447-I816 HydrophobicContact CG2-CG1 4.2Å; V447-I816 HydrophobicContact CG2-CG2 4.37Å
448	R	82.8	Confident	86.8	Confident	67 Å²	67	39.2 Å²	39.2	25%	0.253	19%	0.185	S	C	.	.	S	Bend	trans	-87.9	-42.7	174.4	-59.7	176	71.6	-130.9	8.8	111.7	K811 E812 S814 D815 I817	R448-K811 PolarHBondContact NH1-O 2.97Å; R448-E812 PolarHBondContact NH1-O 2.84Å; R448-S814 PolarHBondContact NH1-O 3.3Å; R448-D815 WeakPolarHBondContact CB-O 3.36Å; R448-D815 PolarHBondContact N-O 3.49Å; R448-I817 HydrophobicContact CG-CD1 4.42Å
449	H	79.4	Confident	87.2	Confident	66 Å²	66	34.1 Å²	34.1	31%	0.306	16%	0.163	S	C	.	.	S	Bend	trans	-111.6	117.4	-179.7	-65.9	-55.1	0	0	0	110.1	V447 D451 A452 D815	V447-H449 WeakPolarHBondContact CG1-O 3.2Å; H449-D451 PolarHBondContact O-N 2.87Å; H449-A452 VanDerWaalsContact O-CB 3.32Å; H449-A452 WeakPolarHBondContact O-CB 3.13Å; H449-A452 PolarHBondContact O-N 2.88Å; H449-D815 HydrophobicContact CB-CB 4.13Å; H449-D815 IonicContact CD2-OD1 2.74Å; H449-D815 PolarHBondContact CD2-OD1 2.97Å; H449-D815 IonicContact CG-OD1 2.71Å; H449-D815 PolarHBondContact N-O 2.94Å
450	L	77.4	Confident	87.4	Confident	56 Å²	56	31.1 Å²	31.1	29%	0.293	15%	0.152	S	C	.	.	H	α-helix	trans	-67.4	-38	-164.9	-61.9	173.3	0	0	0	112.5	F177 L433 V437 A452 C453	F177-L450 HydrophobicContact CD1-CD1 4.22Å; F177-L450 HydrophobicContact CD1-CD2 4.43Å; F177-L450 HydrophobicContact CE1-CD1 3.43Å; F177-L450 VanDerWaalsContact CE1-CD1 3.43Å; F177-L450 HydrophobicContact CE1-CD2 3.77Å; F177-L450 HydrophobicContact CE1-CG 4.26Å; F177-L450 HydrophobicContact CZ-CD1 3.8Å; L433-L450 WeakPolarHBondContact CD1-O 3.45Å; L433-L450 HydrophobicContact CD2-CB 3.72Å; L433-L450 HydrophobicContact CG-CB 4.23Å; V437-L450 HydrophobicContact CG2-CD2 3.99Å; L450-A452 PolarHBondContact O-N 3.11Å; L450-C453 VanDerWaalsContact O-CB 3.23Å; L450-C453 WeakPolarHBondContact O-CB 3.24Å; L450-C453 PolarHBondContact O-N 2.83Å; L450-C453 VanDerWaalsContact O-N 3.11Å
451	D	81.4	Confident	87.8	Confident	65 Å²	65	31.1 Å²	31.1	35%	0.348	15%	0.152	S	C	.	.	H	α-helix	trans	-59.1	-27.7	174.1	50.4	-63.6	0	0	0	113.6	S350 H449 C453 E454 T455	S350-D451 WeakPolarHBondContact OG-CB 3.33Å; H449-D451 PolarHBondContact O-N 2.87Å; D451-C453 VanDerWaalsContact C-N 3.29Å; D451-C453 PolarHBondContact O-N 3.4Å; D451-E454 PolarHBondContact O-N 3.12Å; D451-T455 WeakPolarHBondContact O-CB 3.42Å; D451-T455 PolarHBondContact O-N 3.48Å; D451-T455 PolarHBondContact O-OG1 2.92Å
452	A	87.3	Confident	88.3	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-67.6	-28	173.6	0	0	0	0	0	112.9	H449 L450 T455 M456 V798 D815 I816	H449-A452 VanDerWaalsContact O-CB 3.32Å; H449-A452 WeakPolarHBondContact O-CB 3.13Å; H449-A452 PolarHBondContact O-N 2.88Å; L450-A452 PolarHBondContact O-N 3.11Å; A452-T455 PolarHBondContact O-N 2.81Å; A452-M456 WeakPolarHBondContact O-CB 3.36Å; A452-M456 PolarHBondContact O-N 2.91Å; A452-V798 HydrophobicContact CB-CG1 4.21Å; A452-V798 HydrophobicContact CB-CG2 4.23Å; A452-D815 HydrophobicContact CB-CB 3.47Å; A452-D815 VanDerWaalsContact CB-CB 3.47Å; A452-I816 HydrophobicContact CB-CD1 4.5Å; A452-I816 HydrophobicContact CB-CG1 4.4Å
453	C	87.2	Confident	88.7	Confident	1 Å²	1	21 Å²	21	1%	0.007	11%	0.108	C	C	.	.	H	α-helix	trans	-63.4	-44.4	174.1	-179.8	0	0	0	0	111.3	L433 V437 M440 V447 L450 D451 G833	L433-C453 HydrophobicContact CD1-CB 3.86Å; V437-C453 HydrophobicContact CG2-CB 4.38Å; M440-C453 HydrophobicContact SD-CB 4.41Å; M440-C453 PolarHBondContact SD-SG 2.88Å; V447-C453 HydrophobicContact CG1-CB 4.46Å; L450-C453 VanDerWaalsContact O-CB 3.23Å; L450-C453 WeakPolarHBondContact O-CB 3.24Å; L450-C453 PolarHBondContact O-N 2.83Å; L450-C453 VanDerWaalsContact O-N 3.11Å; D451-C453 VanDerWaalsContact C-N 3.29Å; D451-C453 PolarHBondContact O-N 3.4Å; C453-G833 WeakPolarHBondContact O-CA 3.42Å
454	E	87.5	Confident	88.9	Confident	10 Å²	10	18.6 Å²	18.6	5%	0.047	10%	0.095	C	C	.	.	H	α-helix	trans	-65.1	-49.2	173	-172.4	-144.3	133.3	0	0	110.9	S350 L352 D451 M456 G457	S350-E454 WeakPolarHBondContact CB-OE2 3.43Å; S350-E454 PolarHBondContact OG-OE2 3.1Å; L352-E454 HydrophobicContact CB-CG 4.15Å; L352-E454 WeakPolarHBondContact CB-OE1 3.44Å; L352-E454 WeakPolarHBondContact CB-OE2 3.08Å; L352-E454 HydrophobicContact CD2-CG 4.47Å; L352-E454 PolarHBondContact N-OE1 2.86Å; L352-E454 PolarHBondContact N-OE2 3.44Å; D451-E454 PolarHBondContact O-N 3.12Å; E454-M456 VanDerWaalsContact C-N 3.33Å; E454-M456 PolarHBondContact O-N 3.39Å; E454-G457 PolarHBondContact O-N 3.14Å
455	T	89.1	Confident	88.8	Confident	14 Å²	14	16.5 Å²	16.5	9%	0.086	8%	0.083	C	C	.	.	H	α-helix	trans	-62.5	-38.3	-172.3	-58.4	0	0	0	0	112	D451 A452 G457 N458 V779 D797 V798	D451-T455 WeakPolarHBondContact O-CB 3.42Å; D451-T455 PolarHBondContact O-N 3.48Å; D451-T455 PolarHBondContact O-OG1 2.92Å; A452-T455 PolarHBondContact O-N 2.81Å; T455-G457 PolarHBondContact O-N 3.22Å; T455-N458 PolarHBondContact O-N 3.45Å; T455-V779 HydrophobicContact CG2-CG1 3.9Å; T455-D797 HydrophobicContact CG2-CB 3.86Å; T455-V798 HydrophobicContact CG2-CG2 3.97Å
456	M	91.4	Very high	88.7	Confident	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-61.5	-25.5	175.6	-165.2	59.7	-177.4	0	0	113.4	A452 E454 N458 A459 I462 A781 V798 F800 I826 A829 V830	A452-M456 WeakPolarHBondContact O-CB 3.36Å; A452-M456 PolarHBondContact O-N 2.91Å; E454-M456 VanDerWaalsContact C-N 3.33Å; E454-M456 PolarHBondContact O-N 3.39Å; M456-N458 PolarHBondContact O-N 3.02Å; M456-A459 HydrophobicContact CE-CB 4.19Å; M456-A459 WeakPolarHBondContact O-CB 3.38Å; M456-A459 PolarHBondContact O-N 2.94Å; M456-A459 HydrophobicContact SD-CB 3.84Å; M456-I462 HydrophobicContact CE-CD1 4.34Å; M456-I462 HydrophobicContact CE-CG1 4.44Å; M456-A781 HydrophobicContact CE-CB 3.88Å; M456-A781 HydrophobicContact SD-CB 3.79Å; M456-V798 HydrophobicContact CB-CG2 4.16Å; M456-V798 HydrophobicContact SD-CB 4.27Å; M456-V798 HydrophobicContact SD-CG1 4.28Å; M456-V798 HydrophobicContact SD-CG2 4.27Å; M456-F800 HydrophobicContact CE-CE2 3.53Å; M456-F800 HydrophobicContact CE-CZ 3.68Å; M456-F800 HydrophobicContact CG-CE2 4.43Å; M456-F800 HydrophobicContact CG-CZ 4.06Å; M456-F800 HydrophobicContact SD-CE2 3.57Å; M456-F800 VanDerWaalsContact SD-CE2 3.57Å; M456-F800 HydrophobicContact SD-CZ 3.79Å; M456-I826 HydrophobicContact CE-CG2 3.5Å; M456-A829 HydrophobicContact CG-CB 4.22Å; M456-V830 HydrophobicContact CE-CG2 3.47Å; M456-V830 VanDerWaalsContact CE-CG2 3.47Å; M456-V830 HydrophobicContact CG-CG2 4Å; M456-V830 HydrophobicContact SD-CG2 4.38Å
457	G	90.5	Very high	88.1	Confident	4 Å²	4	18.7 Å²	18.7	4%	0.041	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.7	173.5	0	0	0	0	0	113.6	E454 T455 R834	E454-G457 PolarHBondContact O-N 3.14Å; T455-G457 PolarHBondContact O-N 3.22Å; G457-R834 WeakPolarHBondContact O-CG 3.41Å; G457-R834 PolarHBondContact O-NE 3.11Å
458	N	91	Very high	87.4	Confident	13 Å²	13	18.3 Å²	18.3	7%	0.07	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	2.4	179.9	-73.6	-66.6	0	0	0	114.5	T455 M456 T460 V779 Y905 G906	T455-N458 PolarHBondContact O-N 3.45Å; M456-N458 PolarHBondContact O-N 3.02Å; N458-T460 PolarHBondContact O-N 3.1Å; N458-V779 HydrophobicContact CB-CG2 4.18Å; N458-V779 WeakPolarHBondContact O-CB 3.42Å; N458-Y905 PolarHBondContact OD1-N 3.04Å; N458-G906 PolarHBondContact OD1-N 2.99Å; N458-G906 VanDerWaalsContact OD1-N 3.08Å
459	A	92.1	Very high	87.3	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.			trans	-51	133.4	-178.5	0	0	0	0	0	112.9	M456 I690	M456-A459 HydrophobicContact CE-CB 4.19Å; M456-A459 WeakPolarHBondContact O-CB 3.38Å; M456-A459 PolarHBondContact O-N 2.94Å; M456-A459 HydrophobicContact SD-CB 3.84Å; A459-I690 HydrophobicContact CB-CD1 4.46Å
460	T	93.1	Very high	87.7	Confident	21 Å²	21	12 Å²	12	13%	0.129	7%	0.067	C	C	.	.			trans	-115.2	-26.2	177	63.8	0	0	0	0	112.4	N458 I690 T691 Q778 V779 P904	N458-T460 PolarHBondContact O-N 3.1Å; T460-I690 WeakPolarHBondContact O-CA 3.39Å; T460-T691 PolarHBondContact O-N 3.48Å; T460-Q778 VanDerWaalsContact CB-OE1 3.28Å; T460-Q778 WeakPolarHBondContact OG1-CB 3.47Å; T460-Q778 PolarHBondContact OG1-OE1 3.49Å; T460-V779 PolarHBondContact N-O 2.91Å; T460-V779 PolarHBondContact OG1-N 3.27Å; T460-V779 VanDerWaalsContact OG1-N 3.12Å; T460-V779 PolarHBondContact OG1-O 3.29Å; T460-P904 HydrophobicContact CG2-CG 3.88Å
461	A	94.1	Very high	88.1	Confident	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.1	176.1	0	0	0	0	0	111.3	T691 V779 V780 A781	A461-T691 WeakPolarHBondContact CA-O 3.27Å; A461-V779 PolarHBondContact N-O 2.96Å; A461-V780 HydrophobicContact CB-CG2 4.47Å; A461-A781 PolarHBondContact O-N 3.37Å
462	I	96.4	Very high	88	Confident	0 Å²	0	9 Å²	9	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	113.6	167.6	-63.5	167.1	0	0	0	107.3	M456 I690 T691 V692 R693 A781 T783 F823 I826	M456-I462 HydrophobicContact CE-CD1 4.34Å; M456-I462 HydrophobicContact CE-CG1 4.44Å; I462-I690 HydrophobicContact CD1-CG2 3.73Å; I462-I690 HydrophobicContact CG1-CG2 3.75Å; I462-T691 PolarHBondContact N-O 2.82Å; I462-V692 CarbonylContact O-C 3.55Å; I462-V692 WeakPolarHBondContact O-CA 3.49Å; I462-R693 PolarHBondContact O-N 3.11Å; I462-A781 CarbonylContact C-O 3.59Å; I462-A781 WeakPolarHBondContact CA-O 3.34Å; I462-A781 HydrophobicContact CG1-CB 4.21Å; I462-T783 HydrophobicContact CG2-CG2 4.29Å; I462-F823 HydrophobicContact CD1-CZ 4.44Å; I462-F823 HydrophobicContact CG2-CE2 4.29Å; I462-F823 HydrophobicContact CG2-CZ 4.35Å; I462-I826 HydrophobicContact CD1-CG2 4.07Å
463	C	95.5	Very high	87.4	Confident	4 Å²	4	10.5 Å²	10.5	3%	0.027	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	100.5	170.7	-70.3	0	0	0	0	108.6	V695 V765 A781 V782 T783	C463-V695 HydrophobicContact CB-CG2 4.22Å; C463-V765 HydrophobicContact CB-CG2 4.38Å; C463-A781 PolarHBondContact N-O 2.92Å; C463-V782 HydrophobicContact CB-CG2 4.31Å; C463-V782 CarbonylContact O-C 3.56Å; C463-V782 VanDerWaalsContact O-CA 3.32Å; C463-V782 WeakPolarHBondContact O-CA 3.4Å; C463-T783 PolarHBondContact O-N 3.35Å
464	S	93.2	Very high	87.1	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.5	-175.1	-172.7	0	0	0	0	111	T469 L470 R693 M694 V695 T783	S464-T469 WeakPolarHBondContact OG-CG2 3.48Å; S464-L470 WeakPolarHBondContact OG-CG 3.43Å; S464-R693 PolarHBondContact N-O 3.37Å; S464-M694 WeakPolarHBondContact O-CA 2.92Å; S464-V695 PolarHBondContact O-N 2.9Å; S464-T783 WeakPolarHBondContact CA-OG1 3.49Å; S464-T783 PolarHBondContact OG-OG1 3.44Å
465	D	89.1	Confident	86.9	Confident	12 Å²	12	13.8 Å²	13.8	6%	0.064	7%	0.071	C	C	.	.			trans	-67.3	161.5	155.6	-158.2	88.6	0	0	0	109.8	T467 L470 V695 K761 T783	D465-T467 PolarHBondContact OD2-N 2.65Å; D465-L470 WeakPolarHBondContact O-CG 3.4Å; D465-V695 WeakPolarHBondContact CA-O 3.37Å; D465-V695 VanDerWaalsContact OD1-O 3.05Å; D465-K761 IonicContact OD1-NZ 2.76Å; D465-K761 PolarHBondContact OD1-NZ 3.41Å; D465-T783 PolarHBondContact N-OG1 2.88Å
466	K	86.6	Confident	86.9	Confident	14 Å²	14	14.5 Å²	14.5	6%	0.061	8%	0.076	C	C	.	.	S	Bend	trans	-84.9	-46.5	175.1	-178.3	-117.5	59.5	-172.7	0	111.1	L470 T471 M694 T696 D698 I706	K466-L470 PolarHBondContact O-N 3.18Å; K466-L470 VanDerWaalsContact O-N 3.14Å; K466-T471 HydrophobicContact CD-CG2 4.11Å; K466-T471 HydrophobicContact CG-CG2 4.15Å; K466-T471 PolarHBondContact O-N 2.97Å; K466-T471 PolarHBondContact O-OG1 2.93Å; K466-T471 VanDerWaalsContact O-OG1 3.05Å; K466-M694 HydrophobicContact CB-CE 4.32Å; K466-M694 HydrophobicContact CB-CG 4.08Å; K466-M694 HydrophobicContact CB-SD 3.9Å; K466-M694 HydrophobicContact CG-CE 4.08Å; K466-M694 HydrophobicContact CG-SD 4.04Å; K466-T696 HydrophobicContact CB-CG2 4.27Å; K466-D698 WeakPolarHBondContact CD-OD2 3.38Å; K466-D698 WeakPolarHBondContact CE-OD2 3.41Å; K466-D698 IonicContact NZ-OD2 2.8Å; K466-D698 PolarHBondContact NZ-OD2 3.47Å; K466-I706 HydrophobicContact CD-CG1 4.34Å; K466-I706 HydrophobicContact CD-CG2 4.46Å; K466-I706 HydrophobicContact CG-CB 4.38Å; K466-I706 HydrophobicContact CG-CG2 3.85Å
467	T	78.3	Confident	87	Confident	36 Å²	36	14.7 Å²	14.7	22%	0.221	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	145	-176.2	-43.6	0	0	0	0	109.4	D465 T469	D465-T467 PolarHBondContact OD2-N 2.65Å; T467-T469 PolarHBondContact O-N 2.66Å
468	G	72.8	Confident	87	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	-52.3	-176.2	0	0	0	0	0	113	R675 D785	G468-R675 PolarHBondContact O-NH2 3.32Å; G468-D785 WeakPolarHBondContact CA-OD2 3.42Å
469	T	80	Confident	87.1	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-66.2	-172.6	-52.5	0	0	0	0	113.1	S464 T467 R675 T783 M802 F823	S464-T469 WeakPolarHBondContact OG-CG2 3.48Å; T467-T469 PolarHBondContact O-N 2.66Å; T469-R675 WeakPolarHBondContact O-CD 3.25Å; T469-R675 PolarHBondContact O-NE 3.08Å; T469-T783 HydrophobicContact CG2-CG2 4.16Å; T469-T783 WeakPolarHBondContact CG2-OG1 3.41Å; T469-T783 PolarHBondContact OG1-OG1 3.37Å; T469-M802 HydrophobicContact CG2-CE 4.1Å; T469-M802 WeakPolarHBondContact OG1-CE 3.45Å; T469-F823 HydrophobicContact CG2-CD2 3.78Å; T469-F823 HydrophobicContact CG2-CE2 4.45Å
470	L	87.4	Confident	87.2	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-30.6	-172.2	-61.9	176.1	0	0	0	112.4	S464 D465 K466 R675 V678 I682 M694 I712 F823	S464-L470 WeakPolarHBondContact OG-CG 3.43Å; D465-L470 WeakPolarHBondContact O-CG 3.4Å; K466-L470 PolarHBondContact O-N 3.18Å; K466-L470 VanDerWaalsContact O-N 3.14Å; L470-R675 PolarHBondContact O-N 3.17Å; L470-R675 VanDerWaalsContact O-N 3.13Å; L470-V678 HydrophobicContact CD2-CG1 3.82Å; L470-V678 HydrophobicContact CD2-CG2 4.46Å; L470-I682 HydrophobicContact CD2-CD1 4.17Å; L470-M694 HydrophobicContact CD1-CE 4Å; L470-I712 HydrophobicContact CD1-CD1 4.03Å; L470-F823 HydrophobicContact CD2-CD2 3.67Å; L470-F823 HydrophobicContact CD2-CE2 3.84Å; L470-F823 HydrophobicContact CD2-CG 4.2Å; L470-F823 HydrophobicContact CD2-CZ 4.5Å
471	T	85.6	Confident	87.2	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-99.8	165.3	174.7	59.6	0	0	0	0	111.6	K466 N473 D672 P673 R675 I706	K466-T471 HydrophobicContact CD-CG2 4.11Å; K466-T471 HydrophobicContact CG-CG2 4.15Å; K466-T471 PolarHBondContact O-N 2.97Å; K466-T471 PolarHBondContact O-OG1 2.93Å; K466-T471 VanDerWaalsContact O-OG1 3.05Å; T471-N473 PolarHBondContact O-N 3.15Å; T471-D672 VanDerWaalsContact CB-OD2 3.22Å; T471-D672 WeakPolarHBondContact CB-OD2 3.47Å; T471-D672 HydrophobicContact CG2-CB 4.35Å; T471-D672 VanDerWaalsContact CG2-O 3.26Å; T471-D672 WeakPolarHBondContact CG2-O 3.27Å; T471-D672 VanDerWaalsContact OG1-CG 3.24Å; T471-D672 PolarHBondContact OG1-OD2 3.41Å; T471-P673 CarbonylContact C-O 3.54Å; T471-P673 WeakPolarHBondContact CA-O 3.42Å; T471-P673 WeakPolarHBondContact CB-O 3.48Å; T471-R675 PolarHBondContact O-NE 3.15Å; T471-I706 HydrophobicContact CG2-CG2 4.34Å
472	M	79.8	Confident	87.1	Confident	59 Å²	59	17.9 Å²	17.9	29%	0.291	9%	0.09	S	C	.	.			trans	-69.4	-10.3	177.5	-65.7	-170.5	-177	0	0	113.8	R474 L527 P673 R675 P676	M472-R474 HydrophobicContact CB-CB 4.02Å; M472-R474 PolarHBondContact O-N 3.31Å; M472-L527 HydrophobicContact SD-CD1 3.84Å; M472-P673 HydrophobicContact CB-CG 4.26Å; M472-P673 HydrophobicContact CG-CG 4.14Å; M472-P673 PolarHBondContact N-O 3.48Å; M472-P673 HydrophobicContact SD-CG 3.92Å; M472-R675 HydrophobicContact CG-CG 4.1Å; M472-P676 HydrophobicContact CE-CG 4.28Å
473	N	75.3	Confident	86.6	Confident	31 Å²	31	18.5 Å²	18.5	17%	0.166	10%	0.097	C	C	.	.	S	Bend	trans	54.4	34.8	-170.9	-153.2	-14.2	0	0	0	111.5	T471 K534 D672 D785	T471-N473 PolarHBondContact O-N 3.15Å; N473-K534 WeakPolarHBondContact O-CD 3.17Å; N473-K534 PolarHBondContact O-NZ 2.74Å; N473-K534 PolarHBondContact OD1-NZ 3.42Å; N473-D672 WeakPolarHBondContact CA-OD1 3.41Å; N473-D672 PolarHBondContact N-OD1 3.35Å; N473-D785 PolarHBondContact ND2-OD2 3.47Å
474	R	79.4	Confident	86.1	Confident	49 Å²	49	20.7 Å²	20.7	19%	0.185	12%	0.12	C	C	.	.			trans	-137.7	98.9	-173.7	176.9	-167.1	153.4	127.7	-7	107.6	M472 T476 P528 Q530 D672 P673	M472-R474 HydrophobicContact CB-CB 4.02Å; M472-R474 PolarHBondContact O-N 3.31Å; R474-T476 PolarHBondContact O-N 3.15Å; R474-P528 PolarHBondContact NH1-O 3.17Å; R474-Q530 HydrophobicContact CG-CG 4.24Å; R474-D672 PolarHBondContact N-OD1 3.32Å; R474-P673 WeakPolarHBondContact O-CD 3.47Å
475	M	84.6	Confident	85.9	Confident	31 Å²	31	23.1 Å²	23.1	15%	0.153	13%	0.133	C	C	.	.			trans	-66.4	134.3	-178.1	-60.5	-67.6	-80.8	0	0	110.4	Q530 K534 A538 R636 I670 E671 D672	M475-Q530 PolarHBondContact O-NE2 3.45Å; M475-K534 HydrophobicContact CB-CB 4.27Å; M475-K534 WeakPolarHBondContact CB-O 3.37Å; M475-K534 HydrophobicContact CG-CB 3.78Å; M475-A538 HydrophobicContact CB-CB 3.81Å; M475-A538 WeakPolarHBondContact O-CA 3.31Å; M475-A538 VanDerWaalsContact O-CB 3.24Å; M475-A538 WeakPolarHBondContact O-CB 3.4Å; M475-R636 HydrophobicContact CE-CB 4.44Å; M475-I670 HydrophobicContact CB-CG2 3.84Å; M475-I670 HydrophobicContact CE-CG2 3.79Å; M475-E671 CarbonylContact C-O 3.58Å; M475-E671 WeakPolarHBondContact CA-O 3.48Å; M475-D672 HydrophobicContact SD-CB 3.8Å
476	T	89	Confident	86	Confident	29 Å²	29	25.1 Å²	25.1	18%	0.178	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.3	176.6	51.7	0	0	0	0	110.8	R474 I670 E671	R474-T476 PolarHBondContact O-N 3.15Å; T476-I670 CarbonylContact O-C 3.47Å; T476-I670 WeakPolarHBondContact O-CA 3.43Å; T476-I670 WeakPolarHBondContact O-CG2 3.21Å; T476-E671 PolarHBondContact N-O 3.48Å; T476-E671 PolarHBondContact O-N 3.26Å
477	V	92.6	Very high	86.2	Confident	5 Å²	5	26.3 Å²	26.3	3%	0.03	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	136.1	164.4	173.6	0	0	0	0	108	I490 L539 F542 V668 I670	V477-I490 HydrophobicContact CB-CD1 4.33Å; V477-I490 HydrophobicContact CG1-CD1 4.24Å; V477-I490 HydrophobicContact CG1-CG1 4.33Å; V477-I490 WeakPolarHBondContact O-CD1 3.44Å; V477-L539 HydrophobicContact CG2-CD2 4.34Å; V477-F542 HydrophobicContact CB-CB 3.93Å; V477-F542 HydrophobicContact CB-CD2 4.08Å; V477-F542 HydrophobicContact CB-CG 4.07Å; V477-F542 HydrophobicContact CG1-CD2 3.82Å; V477-F542 HydrophobicContact CG1-CE2 4.16Å; V477-F542 HydrophobicContact CG1-CG 4.1Å; V477-F542 HydrophobicContact CG2-CB 3.69Å; V477-F542 HydrophobicContact CG2-CD1 4.45Å; V477-F542 HydrophobicContact CG2-CD2 4.5Å; V477-F542 HydrophobicContact CG2-CG 4Å; V477-V668 HydrophobicContact CG1-CB 4.06Å; V477-V668 HydrophobicContact CG1-CG1 4.23Å; V477-V668 HydrophobicContact CG2-CB 4.16Å; V477-V668 HydrophobicContact CG2-CG2 4.22Å; V477-I670 HydrophobicContact CG2-CG1 3.95Å
478	V	90.9	Very high	86.6	Confident	43 Å²	43	33.1 Å²	33.1	26%	0.261	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	-37.3	176.8	179.8	0	0	0	0	111.2	Q489 G669 E671	V478-Q489 WeakPolarHBondContact O-CA 3.49Å; V478-G669 PolarHBondContact N-O 3.32Å; V478-E671 HydrophobicContact CG2-CB 4.36Å; V478-E671 HydrophobicContact CG2-CG 3.81Å
479	Q	93.3	Very high	87.3	Confident	13 Å²	13	40.8 Å²	40.8	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	150.3	176.1	-54.5	-169.2	7.5	0	0	110.8	H486 Y487 M630 D633 L635 V668 G669	Q479-H486 PolarHBondContact OE1-CE1 3.12Å; Q479-H486 PolarHBondContact OE1-NE2 3.02Å; Q479-Y487 CarbonylContact C-O 3.52Å; Q479-Y487 VanDerWaalsContact CA-O 3.27Å; Q479-Y487 WeakPolarHBondContact CA-O 3.36Å; Q479-Y487 WeakPolarHBondContact CB-O 3.25Å; Q479-M630 HydrophobicContact CB-CE 3.94Å; Q479-D633 PolarHBondContact NE2-OD2 3.35Å; Q479-L635 HydrophobicContact CB-CD1 3.99Å; Q479-L635 HydrophobicContact CG-CD1 3.58Å; Q479-V668 WeakPolarHBondContact O-CA 3.5Å; Q479-G669 PolarHBondContact N-O 3.15Å; Q479-G669 PolarHBondContact O-N 3.17Å
480	A	93.8	Very high	87.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	145.7	177	0	0	0	0	0	111.4	I482 Y487 F542 V667 V668	A480-I482 HydrophobicContact CB-CD1 4.03Å; A480-I482 HydrophobicContact CB-CG1 4.34Å; A480-Y487 PolarHBondContact N-O 3.06Å; A480-Y487 WeakPolarHBondContact O-CA 3.38Å; A480-Y487 WeakPolarHBondContact O-CB 3.43Å; A480-Y487 PolarHBondContact O-N 2.78Å; A480-F542 HydrophobicContact CB-CZ 4.28Å; A480-V667 CarbonylContact C-O 3.52Å; A480-V667 WeakPolarHBondContact CA-O 3.48Å; A480-V668 HydrophobicContact CB-CG1 4.11Å
481	Y	93.3	Very high	87.4	Confident	44 Å²	44	44.4 Å²	44.4	17%	0.173	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	112.9	170.4	-177.8	-91.1	0	0	0	109.1	I485 H486 I604 M622 V626 A666 V667	Y481-I485 WeakPolarHBondContact CA-O 3.21Å; Y481-H486 HydrophobicContact CD2-CB 4.01Å; Y481-I604 HydrophobicContact CE1-CD1 4.34Å; Y481-M622 HydrophobicContact CD1-SD 3.72Å; Y481-M622 HydrophobicContact CE1-CG 4.23Å; Y481-M622 HydrophobicContact CE1-SD 3.25Å; Y481-M622 WeakPolarHBondContact CE1-SD 3.45Å; Y481-V626 HydrophobicContact CD2-CG1 3.99Å; Y481-V626 HydrophobicContact CD2-CG2 3.74Å; Y481-V626 HydrophobicContact CE2-CG2 3.83Å; Y481-V626 HydrophobicContact CG-CG1 4.07Å; Y481-V626 HydrophobicContact CG-CG2 4.4Å; Y481-A666 WeakPolarHBondContact O-CA 3.44Å; Y481-V667 PolarHBondContact N-O 3.44Å; Y481-V667 PolarHBondContact O-N 2.89Å
482	I	91.5	Very high	87.3	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	133	-171.8	-58.8	167.6	0	0	0	108.2	A480 G484 I485 Y487 F496 V500 I504 F542 A666	A480-I482 HydrophobicContact CB-CD1 4.03Å; A480-I482 HydrophobicContact CB-CG1 4.34Å; I482-G484 PolarHBondContact O-N 3.26Å; I482-G484 VanDerWaalsContact O-N 3.15Å; I482-I485 PolarHBondContact N-O 3.45Å; I482-I485 VanDerWaalsContact N-O 3.13Å; I482-I485 PolarHBondContact O-N 2.78Å; I482-I485 VanDerWaalsContact O-N 3.09Å; I482-Y487 HydrophobicContact CB-CE2 4.4Å; I482-F496 HydrophobicContact CB-CE1 3.99Å; I482-F496 HydrophobicContact CD1-CD1 4.46Å; I482-F496 HydrophobicContact CD1-CE1 3.5Å; I482-F496 HydrophobicContact CD1-CZ 3.72Å; I482-F496 HydrophobicContact CG1-CE1 4.33Å; I482-F496 HydrophobicContact CG2-CD1 3.96Å; I482-F496 HydrophobicContact CG2-CE1 3.77Å; I482-V500 HydrophobicContact CG2-CG1 3.97Å; I482-I504 HydrophobicContact CD1-CD1 3.83Å; I482-I504 HydrophobicContact CG1-CD1 4.34Å; I482-I504 HydrophobicContact CG2-CD1 4.16Å; I482-F542 HydrophobicContact CD1-CZ 4.17Å; I482-A666 HydrophobicContact CG1-CB 3.82Å
483	G	87	Confident	87.4	Confident	13 Å²	13	45 Å²	45	13%	0.134	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	29.2	173.4	0	0	0	0	0	115	R607	G483-R607 WeakPolarHBondContact O-CB 3.4Å
484	G	85.8	Confident	87.7	Confident	50 Å²	50	49.7 Å²	49.7	52%	0.515	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	6.7	-178.5	0	0	0	0	0	116.1	I482	I482-G484 PolarHBondContact O-N 3.26Å; I482-G484 VanDerWaalsContact O-N 3.15Å
485	I	88.9	Confident	87.9	Confident	52 Å²	52	50.7 Å²	50.7	27%	0.267	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.4	-176.7	-61.5	172.4	0	0	0	110.6	Y481 I482 Y487	Y481-I485 WeakPolarHBondContact CA-O 3.21Å; I482-I485 PolarHBondContact N-O 3.45Å; I482-I485 VanDerWaalsContact N-O 3.13Å; I482-I485 PolarHBondContact O-N 2.78Å; I482-I485 VanDerWaalsContact O-N 3.09Å; I485-Y487 HydrophobicContact CB-CD2 4.39Å; I485-Y487 HydrophobicContact CB-CE2 3.73Å; I485-Y487 HydrophobicContact CG2-CD1 4.22Å; I485-Y487 HydrophobicContact CG2-CD2 4.07Å; I485-Y487 HydrophobicContact CG2-CE1 3.84Å; I485-Y487 HydrophobicContact CG2-CE2 3.68Å; I485-Y487 HydrophobicContact CG2-CG 4.32Å; I485-Y487 WeakPolarHBondContact O-CD2 3.14Å
486	H	90.9	Very high	87.8	Confident	54 Å²	54	50.2 Å²	50.2	25%	0.25	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	103.6	171.3	-177.8	-164.4	0	0	0	110.6	Q479 Y481 M630	Q479-H486 PolarHBondContact OE1-CE1 3.12Å; Q479-H486 PolarHBondContact OE1-NE2 3.02Å; Y481-H486 HydrophobicContact CD2-CB 4.01Å; H486-M630 WeakPolarHBondContact NE2-CE 3.32Å
487	Y	90.5	Very high	87.7	Confident	39 Å²	39	52.7 Å²	52.7	15%	0.153	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.9	172.9	-59.6	-85.5	0	0	0	109.9	Q479 A480 I482 I485 Q489 P491 V495 F496	Q479-Y487 CarbonylContact C-O 3.52Å; Q479-Y487 VanDerWaalsContact CA-O 3.27Å; Q479-Y487 WeakPolarHBondContact CA-O 3.36Å; Q479-Y487 WeakPolarHBondContact CB-O 3.25Å; A480-Y487 PolarHBondContact N-O 3.06Å; A480-Y487 WeakPolarHBondContact O-CA 3.38Å; A480-Y487 WeakPolarHBondContact O-CB 3.43Å; A480-Y487 PolarHBondContact O-N 2.78Å; I482-Y487 HydrophobicContact CB-CE2 4.4Å; I485-Y487 HydrophobicContact CB-CD2 4.39Å; I485-Y487 HydrophobicContact CB-CE2 3.73Å; I485-Y487 HydrophobicContact CG2-CD1 4.22Å; I485-Y487 HydrophobicContact CG2-CD2 4.07Å; I485-Y487 HydrophobicContact CG2-CE1 3.84Å; I485-Y487 HydrophobicContact CG2-CE2 3.68Å; I485-Y487 HydrophobicContact CG2-CG 4.32Å; I485-Y487 WeakPolarHBondContact O-CD2 3.14Å; Y487-Q489 VanDerWaalsContact C-N 3.33Å; Y487-Q489 WeakPolarHBondContact CB-O 3.29Å; Y487-P491 HydrophobicContact CD1-CB 3.98Å; Y487-P491 HydrophobicContact CD1-CG 3.7Å; Y487-P491 HydrophobicContact CD2-CG 4.5Å; Y487-P491 HydrophobicContact CE1-CB 4.08Å; Y487-P491 HydrophobicContact CE1-CG 3.88Å; Y487-P491 HydrophobicContact CG-CG 4.04Å; Y487-V495 HydrophobicContact CE1-CG1 4.28Å; Y487-F496 HydrophobicContact CE2-CE1 4.3Å
488	R	87.1	Confident	87.3	Confident	178 Å²	178	57.5 Å²	57.5	67%	0.672	31%	0.309	S	S	*	.	S	Bend	trans	-83.6	-7.8	176.4	-68.5	-173.4	177.6	-165.9	-2.8	114.4
489	Q	86.1	Confident	87.2	Confident	161 Å²	161	60 Å²	60	75%	0.752	32%	0.317	S	S	*	.	S	Bend	trans	-141.9	150.3	170.7	-68.7	179.5	-16.3	0	0	106.8	V478 Y487 P491	V478-Q489 WeakPolarHBondContact O-CA 3.49Å; Y487-Q489 VanDerWaalsContact C-N 3.33Å; Y487-Q489 WeakPolarHBondContact CB-O 3.29Å; Q489-P491 WeakPolarHBondContact O-CD 3.41Å
490	I	85.6	Confident	87	Confident	52 Å²	52	59.8 Å²	59.8	27%	0.267	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-63.7	122.1	178.7	-64.6	164.5	0	0	0	109.6	V477 F542 D545 L546	V477-I490 HydrophobicContact CB-CD1 4.33Å; V477-I490 HydrophobicContact CG1-CD1 4.24Å; V477-I490 HydrophobicContact CG1-CG1 4.33Å; V477-I490 WeakPolarHBondContact O-CD1 3.44Å; I490-F542 HydrophobicContact CD1-CD2 3.79Å; I490-F542 HydrophobicContact CD1-CE2 4.27Å; I490-F542 HydrophobicContact CG1-CD2 4.02Å; I490-F542 HydrophobicContact CG1-CE2 3.97Å; I490-F542 HydrophobicContact CG2-CD2 4.29Å; I490-F542 HydrophobicContact CG2-CE2 3.97Å; I490-D545 HydrophobicContact CD1-CB 4.37Å; I490-L546 HydrophobicContact CG2-CD2 4.38Å
491	P	83.7	Confident	86.8	Confident	24 Å²	24	60.8 Å²	60.8	16%	0.156	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-79.5	166.1	175.8	35.6	-37.2	0	0	0	111.3	Y487 Q489 V495 F496	Y487-P491 HydrophobicContact CD1-CB 3.98Å; Y487-P491 HydrophobicContact CD1-CG 3.7Å; Y487-P491 HydrophobicContact CD2-CG 4.5Å; Y487-P491 HydrophobicContact CE1-CB 4.08Å; Y487-P491 HydrophobicContact CE1-CG 3.88Å; Y487-P491 HydrophobicContact CG-CG 4.04Å; Q489-P491 WeakPolarHBondContact O-CD 3.41Å; P491-V495 HydrophobicContact CB-CB 4.36Å; P491-V495 HydrophobicContact CB-CG2 4.18Å; P491-F496 HydrophobicContact CG-CE1 4.41Å; P491-F496 HydrophobicContact CG-CE2 3.75Å; P491-F496 HydrophobicContact CG-CZ 3.43Å; P491-F496 VanDerWaalsContact CG-CZ 3.43Å
492	S	84.4	Confident	86.7	Confident	57 Å²	57	62.5 Å²	62.5	40%	0.399	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-66.4	151.4	174	76.6	0	0	0	0	111.5	D494 V495	S492-D494 WeakPolarHBondContact CB-OD2 3.42Å; S492-D494 PolarHBondContact O-N 3.35Å; S492-D494 VanDerWaalsContact O-N 3.11Å; S492-D494 PolarHBondContact OG-OD2 3.11Å; S492-V495 WeakPolarHBondContact O-CB 3.45Å; S492-V495 WeakPolarHBondContact O-CG2 3.32Å; S492-V495 PolarHBondContact O-N 3.09Å; S492-V495 VanDerWaalsContact O-N 3.16Å
493	P	82.3	Confident	86.7	Confident	14 Å²	14	62.7 Å²	62.7	9%	0.091	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-59.6	-26.2	-176.4	21.9	-33.6	0	0	0	113.7	V495 F496 L501 L546 K547	P493-V495 PolarHBondContact O-N 3.23Å; P493-V495 VanDerWaalsContact O-N 3.08Å; P493-F496 PolarHBondContact O-N 3.08Å; P493-L501 HydrophobicContact CB-CD2 4.31Å; P493-L546 VanDerWaalsContact CB-O 3.32Å; P493-L546 WeakPolarHBondContact CB-O 3.46Å; P493-L546 WeakPolarHBondContact CG-O 3.3Å; P493-K547 HydrophobicContact CG-CB 4.41Å; P493-K547 HydrophobicContact CG-CD 4.15Å; P493-K547 HydrophobicContact CG-CG 4.31Å
494	D	80.8	Confident	87	Confident	130 Å²	130	62 Å²	62	70%	0.695	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-62.7	-13.7	-180	-30.7	-87.7	0	0	0	113.4	S492	S492-D494 WeakPolarHBondContact CB-OD2 3.42Å; S492-D494 PolarHBondContact O-N 3.35Å; S492-D494 VanDerWaalsContact O-N 3.11Å; S492-D494 PolarHBondContact OG-OD2 3.11Å
495	V	84.1	Confident	87.3	Confident	71 Å²	71	60.1 Å²	60.1	43%	0.43	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-79.9	-18.5	176.9	-178.8	0	0	0	0	112.3	Y487 P491 S492 P493	Y487-V495 HydrophobicContact CE1-CG1 4.28Å; P491-V495 HydrophobicContact CB-CB 4.36Å; P491-V495 HydrophobicContact CB-CG2 4.18Å; S492-V495 WeakPolarHBondContact O-CB 3.45Å; S492-V495 WeakPolarHBondContact O-CG2 3.32Å; S492-V495 PolarHBondContact O-N 3.09Å; S492-V495 VanDerWaalsContact O-N 3.16Å; P493-V495 PolarHBondContact O-N 3.23Å; P493-V495 VanDerWaalsContact O-N 3.08Å
496	F	83	Confident	87.6	Confident	21 Å²	21	58.8 Å²	58.8	9%	0.092	30%	0.3	C	S	.	.	S	Bend	trans	-99.7	145.8	-177.4	-56	-72	0	0	0	112.3	I482 Y487 P491 P493 L501 L546	I482-F496 HydrophobicContact CB-CE1 3.99Å; I482-F496 HydrophobicContact CD1-CD1 4.46Å; I482-F496 HydrophobicContact CD1-CE1 3.5Å; I482-F496 HydrophobicContact CD1-CZ 3.72Å; I482-F496 HydrophobicContact CG1-CE1 4.33Å; I482-F496 HydrophobicContact CG2-CD1 3.96Å; I482-F496 HydrophobicContact CG2-CE1 3.77Å; Y487-F496 HydrophobicContact CE2-CE1 4.3Å; P491-F496 HydrophobicContact CG-CE1 4.41Å; P491-F496 HydrophobicContact CG-CE2 3.75Å; P491-F496 HydrophobicContact CG-CZ 3.43Å; P491-F496 VanDerWaalsContact CG-CZ 3.43Å; P493-F496 PolarHBondContact O-N 3.08Å; F496-L501 HydrophobicContact CB-CB 4.33Å; F496-L546 HydrophobicContact CD2-CD2 4.11Å; F496-L546 HydrophobicContact CE2-CD2 3.52Å; F496-L546 HydrophobicContact CZ-CD2 4.44Å
497	L	85.2	Confident	87.6	Confident	81 Å²	81	56.3 Å²	56.3	42%	0.424	29%	0.289	S	S	.	.			trans	-66.7	141.2	166.1	-81.7	91.6	0	0	0	109.9	K499 V500 L501 R607	L497-K499 PolarHBondContact O-N 3.4Å; L497-K499 VanDerWaalsContact O-N 3.14Å; L497-V500 HydrophobicContact CB-CG2 4.35Å; L497-V500 PolarHBondContact O-N 2.75Å; L497-L501 PolarHBondContact O-N 3.44Å; L497-R607 WeakPolarHBondContact CD1-O 3.3Å
498	P	85.9	Confident	87.8	Confident	105 Å²	105	54.5 Å²	54.5	68%	0.682	28%	0.282	S	S	*	.	H	α-helix	trans	-51.6	-39.6	178	-30	35.8	0	0	0	113.9	V500 L501 D502	P498-V500 VanDerWaalsContact C-N 3.29Å; P498-V500 PolarHBondContact O-N 3.48Å; P498-L501 PolarHBondContact O-N 2.86Å; P498-D502 VanDerWaalsContact O-CB 3.3Å; P498-D502 WeakPolarHBondContact O-CB 3.45Å; P498-D502 PolarHBondContact O-N 3.06Å
499	K	87.4	Confident	88.2	Confident	96 Å²	96	46 Å²	46	42%	0.417	25%	0.25	S	C	.	.	H	α-helix	trans	-58.6	-35.8	175.4	-170.9	-168.8	-176.6	-157	0	113.3	L497 L503 G609 E610	L497-K499 PolarHBondContact O-N 3.4Å; L497-K499 VanDerWaalsContact O-N 3.14Å; K499-L503 WeakPolarHBondContact O-CD1 3.39Å; K499-L503 WeakPolarHBondContact O-CG 3.49Å; K499-L503 PolarHBondContact O-N 2.86Å; K499-G609 PolarHBondContact NZ-O 3.24Å; K499-E610 IonicContact NZ-OE1 3.45Å; K499-E610 PolarHBondContact NZ-OE1 3.36Å; K499-E610 IonicContact NZ-OE2 2.64Å; K499-E610 PolarHBondContact NZ-OE2 3.03Å; K499-E610 VanDerWaalsContact NZ-OE2 3.13Å
500	V	88.9	Confident	88.5	Confident	8 Å²	8	38.6 Å²	38.6	5%	0.048	22%	0.215	C	C	.	.	H	α-helix	trans	-83.5	-39.6	179.8	-179.4	0	0	0	0	110.6	I482 L497 P498 L503 I504 G609	I482-V500 HydrophobicContact CG2-CG1 3.97Å; L497-V500 HydrophobicContact CB-CG2 4.35Å; L497-V500 PolarHBondContact O-N 2.75Å; P498-V500 VanDerWaalsContact C-N 3.29Å; P498-V500 PolarHBondContact O-N 3.48Å; V500-L503 PolarHBondContact O-N 3.45Å; V500-I504 HydrophobicContact CG1-CD1 4.11Å; V500-I504 WeakPolarHBondContact O-CG1 3.28Å; V500-I504 PolarHBondContact O-N 2.96Å; V500-G609 VanDerWaalsContact CG2-CA 3.43Å
501	L	90.4	Very high	88.7	Confident	21 Å²	21	36.1 Å²	36.1	11%	0.11	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-48.6	174.7	-177.4	59.6	0	0	0	110.9	P493 F496 L497 P498 L503 I504 V505 L546 Q548	P493-L501 HydrophobicContact CB-CD2 4.31Å; F496-L501 HydrophobicContact CB-CB 4.33Å; L497-L501 PolarHBondContact O-N 3.44Å; P498-L501 PolarHBondContact O-N 2.86Å; L501-L503 PolarHBondContact O-N 3.09Å; L501-I504 WeakPolarHBondContact O-CB 3.4Å; L501-I504 PolarHBondContact O-N 3.2Å; L501-I504 VanDerWaalsContact O-N 3.15Å; L501-V505 HydrophobicContact CD1-CG2 4.15Å; L501-V505 HydrophobicContact CG-CG2 4.32Å; L501-V505 WeakPolarHBondContact O-CG2 3.39Å; L501-V505 PolarHBondContact O-N 3.38Å; L501-L546 HydrophobicContact CD1-CB 4.26Å; L501-L546 HydrophobicContact CD1-CD1 3.99Å; L501-Q548 HydrophobicContact CD1-CG 4.36Å; L501-Q548 HydrophobicContact CD2-CG 4.37Å; L501-Q548 HydrophobicContact CG-CG 4.45Å
502	D	90.5	Very high	88.9	Confident	80 Å²	80	35 Å²	35	43%	0.428	20%	0.196	S	C	.	.	H	α-helix	trans	-56.4	-46.7	175.7	177.7	83.4	0	0	0	112.6	P498 I504 V505 N506	P498-D502 VanDerWaalsContact O-CB 3.3Å; P498-D502 WeakPolarHBondContact O-CB 3.45Å; P498-D502 PolarHBondContact O-N 3.06Å; D502-I504 VanDerWaalsContact C-N 3.3Å; D502-I504 PolarHBondContact O-N 3.02Å; D502-V505 PolarHBondContact O-N 3.12Å; D502-N506 VanDerWaalsContact O-CB 3.31Å; D502-N506 WeakPolarHBondContact O-CB 3.25Å; D502-N506 PolarHBondContact O-N 3.28Å; D502-N506 PolarHBondContact O-ND2 2.72Å; D502-N506 PolarHBondContact OD1-ND2 3.29Å; D502-N506 PolarHBondContact OD2-ND2 3.04Å
503	L	92.1	Very high	88.7	Confident	9 Å²	9	33.8 Å²	33.8	5%	0.047	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-34.4	177.2	-75.8	171.6	0	0	0	113	K499 V500 L501 G507 L605 Y642 I665	K499-L503 WeakPolarHBondContact O-CD1 3.39Å; K499-L503 WeakPolarHBondContact O-CG 3.49Å; K499-L503 PolarHBondContact O-N 2.86Å; V500-L503 PolarHBondContact O-N 3.45Å; L501-L503 PolarHBondContact O-N 3.09Å; L503-G507 WeakPolarHBondContact O-CA 3.32Å; L503-G507 PolarHBondContact O-N 3.26Å; L503-L605 HydrophobicContact CD1-CD1 3.86Å; L503-Y642 HydrophobicContact CD1-CE1 4.37Å; L503-I665 HydrophobicContact CB-CD1 4.28Å; L503-I665 HydrophobicContact CB-CG2 4.49Å
504	I	92.7	Very high	88.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.7	-49.2	173.5	-68.3	166.8	0	0	0	110.4	I482 V500 L501 D502 G507 I508 F542 L546 I665	I482-I504 HydrophobicContact CD1-CD1 3.83Å; I482-I504 HydrophobicContact CG1-CD1 4.34Å; I482-I504 HydrophobicContact CG2-CD1 4.16Å; V500-I504 HydrophobicContact CG1-CD1 4.11Å; V500-I504 WeakPolarHBondContact O-CG1 3.28Å; V500-I504 PolarHBondContact O-N 2.96Å; L501-I504 WeakPolarHBondContact O-CB 3.4Å; L501-I504 PolarHBondContact O-N 3.2Å; L501-I504 VanDerWaalsContact O-N 3.15Å; D502-I504 VanDerWaalsContact C-N 3.3Å; D502-I504 PolarHBondContact O-N 3.02Å; I504-G507 PolarHBondContact O-N 3.16Å; I504-I508 HydrophobicContact CG2-CD1 3.79Å; I504-I508 WeakPolarHBondContact O-CB 3.44Å; I504-I508 VanDerWaalsContact O-CG1 3.32Å; I504-I508 WeakPolarHBondContact O-CG1 3.39Å; I504-I508 PolarHBondContact O-N 3.27Å; I504-F542 HydrophobicContact CG2-CE1 4.01Å; I504-L546 HydrophobicContact CG2-CD1 4.36Å; I504-I665 HydrophobicContact CD1-CG2 4.43Å; I504-I665 HydrophobicContact CG1-CG2 3.5Å
505	V	93.8	Very high	88.2	Confident	10 Å²	10	33.7 Å²	33.7	6%	0.061	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-50.7	-177.8	173.3	0	0	0	0	110.7	L501 D502 I508 S509 V543 Q548 V553	L501-V505 HydrophobicContact CD1-CG2 4.15Å; L501-V505 HydrophobicContact CG-CG2 4.32Å; L501-V505 WeakPolarHBondContact O-CG2 3.39Å; L501-V505 PolarHBondContact O-N 3.38Å; D502-V505 PolarHBondContact O-N 3.12Å; V505-I508 PolarHBondContact O-N 3.42Å; V505-S509 WeakPolarHBondContact O-CB 3.23Å; V505-S509 PolarHBondContact O-N 2.84Å; V505-S509 PolarHBondContact O-OG 3.18Å; V505-V543 HydrophobicContact CG1-CG1 4.05Å; V505-V543 HydrophobicContact CG2-CG1 4.26Å; V505-Q548 HydrophobicContact CG1-CB 4.43Å; V505-Q548 HydrophobicContact CG2-CB 3.89Å; V505-Q548 HydrophobicContact CG2-CG 3.79Å; V505-V553 HydrophobicContact CG1-CG2 3.98Å
506	N	93.2	Very high	88	Confident	24 Å²	24	30.3 Å²	30.3	13%	0.128	17%	0.169	C	C	.	.	H	α-helix	trans	-65.1	-46.6	176.9	-73.7	-42.3	0	0	0	111.5	D502 I508 S509 I510 V553 Y589	D502-N506 VanDerWaalsContact O-CB 3.31Å; D502-N506 WeakPolarHBondContact O-CB 3.25Å; D502-N506 PolarHBondContact O-N 3.28Å; D502-N506 PolarHBondContact O-ND2 2.72Å; D502-N506 PolarHBondContact OD1-ND2 3.29Å; D502-N506 PolarHBondContact OD2-ND2 3.04Å; N506-I508 PolarHBondContact O-N 3.06Å; N506-S509 PolarHBondContact O-N 3.48Å; N506-I510 HydrophobicContact CB-CD1 4.1Å; N506-I510 VanDerWaalsContact O-CB 3.3Å; N506-I510 WeakPolarHBondContact O-CB 3.49Å; N506-I510 WeakPolarHBondContact O-CG1 3.42Å; N506-I510 PolarHBondContact O-N 2.94Å; N506-V553 WeakPolarHBondContact OD1-CG1 3.42Å; N506-Y589 HydrophobicContact CB-CE1 4.45Å; N506-Y589 HydrophobicContact CB-CE2 4.37Å; N506-Y589 WeakPolarHBondContact CB-OH 3.44Å
507	G	92.8	Very high	88	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-26.4	179.9	0	0	0	0	0	114.5	L503 I504 N511 Y589	L503-G507 WeakPolarHBondContact O-CA 3.32Å; L503-G507 PolarHBondContact O-N 3.26Å; I504-G507 PolarHBondContact O-N 3.16Å; G507-N511 WeakPolarHBondContact O-CB 3.42Å; G507-Y589 VanDerWaalsContact CA-CD1 3.44Å
508	I	94.9	Very high	88.1	Confident	1 Å²	1	31 Å²	31	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-86	-50.7	172.2	-71.1	171.3	0	0	0	111.8	I504 V505 N506 S512 L539 L540 F542 V543 I640	I504-I508 HydrophobicContact CG2-CD1 3.79Å; I504-I508 WeakPolarHBondContact O-CB 3.44Å; I504-I508 VanDerWaalsContact O-CG1 3.32Å; I504-I508 WeakPolarHBondContact O-CG1 3.39Å; I504-I508 PolarHBondContact O-N 3.27Å; V505-I508 PolarHBondContact O-N 3.42Å; N506-I508 PolarHBondContact O-N 3.06Å; I508-S512 VanDerWaalsContact O-CB 3.27Å; I508-S512 WeakPolarHBondContact O-CB 3.25Å; I508-S512 PolarHBondContact O-N 2.96Å; I508-S512 PolarHBondContact O-OG 3.17Å; I508-L539 HydrophobicContact CD1-CB 4.28Å; I508-L539 HydrophobicContact CG1-CB 4.25Å; I508-L539 HydrophobicContact CG2-CB 3.65Å; I508-L540 HydrophobicContact CG2-CD2 4.15Å; I508-F542 HydrophobicContact CD1-CD1 3.85Å; I508-F542 HydrophobicContact CD1-CE1 4.46Å; I508-V543 HydrophobicContact CB-CG2 3.84Å; I508-V543 HydrophobicContact CD1-CG2 3.81Å; I508-V543 HydrophobicContact CG1-CG2 4.43Å; I508-V543 HydrophobicContact CG2-CG2 3.66Å; I508-I640 HydrophobicContact CD1-CD1 3.83Å; I508-I640 HydrophobicContact CG1-CD1 3.76Å
509	S	93.7	Very high	87.9	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-70.7	-37.8	-167.1	-53.2	0	0	0	0	112.5	V505 N506 Y550 R554	V505-S509 WeakPolarHBondContact O-CB 3.23Å; V505-S509 PolarHBondContact O-N 2.84Å; V505-S509 PolarHBondContact O-OG 3.18Å; N506-S509 PolarHBondContact O-N 3.48Å; S509-Y550 VanDerWaalsContact OG-CB 3.29Å; S509-Y550 WeakPolarHBondContact OG-CB 3.34Å; S509-R554 PolarHBondContact O-NE 3.4Å
510	I	92.7	Very high	87.7	Confident	5 Å²	5	29.3 Å²	29.3	3%	0.026	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-47.7	179.8	-59.9	173.6	0	0	0	110.2	N506 S512 V553 V557 L562 T577 I579 Y589	N506-I510 HydrophobicContact CB-CD1 4.1Å; N506-I510 VanDerWaalsContact O-CB 3.3Å; N506-I510 WeakPolarHBondContact O-CB 3.49Å; N506-I510 WeakPolarHBondContact O-CG1 3.42Å; N506-I510 PolarHBondContact O-N 2.94Å; I510-S512 PolarHBondContact O-N 3Å; I510-V553 HydrophobicContact CD1-CG1 4.2Å; I510-V553 HydrophobicContact CG1-CG1 3.91Å; I510-V557 HydrophobicContact CD1-CG2 4.33Å; I510-L562 HydrophobicContact CG2-CD2 3.88Å; I510-T577 HydrophobicContact CG2-CG2 3.9Å; I510-I579 HydrophobicContact CD1-CD1 4.23Å; I510-I579 HydrophobicContact CG2-CG2 3.77Å; I510-Y589 HydrophobicContact CB-CD2 4.36Å; I510-Y589 HydrophobicContact CD1-CD2 4.45Å; I510-Y589 HydrophobicContact CD1-CE2 3.87Å; I510-Y589 HydrophobicContact CG2-CD2 4.31Å
511	N	90.3	Very high	87.2	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-84	33.8	-178.6	-166.8	34	0	0	0	113.4	G507 M575 S576 T577 Y589 S590 K591	G507-N511 WeakPolarHBondContact O-CB 3.42Å; N511-M575 PolarHBondContact ND2-O 2.76Å; N511-S576 VanDerWaalsContact OD1-CA 3.3Å; N511-S576 WeakPolarHBondContact OD1-CA 3.34Å; N511-T577 WeakPolarHBondContact OD1-CB 3.45Å; N511-T577 PolarHBondContact OD1-N 2.99Å; N511-T577 VanDerWaalsContact OD1-N 3.09Å; N511-T577 PolarHBondContact OD1-OG1 3.19Å; N511-Y589 PolarHBondContact ND2-O 3.48Å; N511-S590 VanDerWaalsContact ND2-C 3.35Å; N511-S590 WeakPolarHBondContact ND2-CA 3.17Å; N511-K591 PolarHBondContact ND2-N 2.81Å; N511-K591 VanDerWaalsContact ND2-N 3.2Å; N511-K591 WeakPolarHBondContact O-CD 3.44Å; N511-K591 WeakPolarHBondContact O-CE 3.36Å; N511-K591 PolarHBondContact O-NZ 3.15Å
512	S	88.7	Confident	86	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.014	21%	0.205	C	C	.	.	S	Bend	trans	-131.7	138.9	172.9	-61.6	0	0	0	0	110	I508 I510 Y514 E536 R554 K591	I508-S512 VanDerWaalsContact O-CB 3.27Å; I508-S512 WeakPolarHBondContact O-CB 3.25Å; I508-S512 PolarHBondContact O-N 2.96Å; I508-S512 PolarHBondContact O-OG 3.17Å; I510-S512 PolarHBondContact O-N 3Å; S512-Y514 PolarHBondContact O-N 3.35Å; S512-E536 VanDerWaalsContact CA-OE1 3.31Å; S512-E536 WeakPolarHBondContact CA-OE1 3.47Å; S512-R554 PolarHBondContact O-NH2 3.28Å; S512-K591 PolarHBondContact OG-NZ 3.47Å
513	A	78.4	Confident	85	Confident	31 Å²	31	41.5 Å²	41.5	26%	0.256	22%	0.219	S	C	.	.			trans	-54.3	139.4	-173.5	0	0	0	0	0	112.2	T515 S516 E536 R554	A513-T515 PolarHBondContact O-N 2.91Å; A513-S516 WeakPolarHBondContact O-CA 3.47Å; A513-S516 WeakPolarHBondContact O-CB 3.45Å; A513-S516 PolarHBondContact O-N 2.93Å; A513-E536 WeakPolarHBondContact CB-OE2 3.27Å; A513-E536 PolarHBondContact N-OE1 3Å; A513-E536 VanDerWaalsContact N-OE1 3.09Å; A513-R554 PolarHBondContact O-NH2 2.84Å
514	Y	78.5	Confident	83.4	Confident	34 Å²	34	50.9 Å²	50.9	13%	0.133	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.6	179.6	-98	-94.4	0	0	0	113.4	S512 S516 K517 R554 V557 P558 E559 L562	S512-Y514 PolarHBondContact O-N 3.35Å; Y514-S516 VanDerWaalsContact C-N 3.34Å; Y514-K517 WeakPolarHBondContact O-CE 3.06Å; Y514-R554 HydrophobicContact CE1-CB 3.87Å; Y514-R554 HydrophobicContact CE1-CG 4.07Å; Y514-R554 VanDerWaalsContact OH-CA 3.25Å; Y514-R554 WeakPolarHBondContact OH-CA 3.23Å; Y514-R554 VanDerWaalsContact OH-CB 3.29Å; Y514-R554 WeakPolarHBondContact OH-CB 3.13Å; Y514-R554 WeakPolarHBondContact OH-CG 3.39Å; Y514-R554 PolarHBondContact OH-O 3.49Å; Y514-V557 PolarHBondContact OH-O 3Å; Y514-P558 WeakPolarHBondContact OH-CA 3.44Å; Y514-E559 HydrophobicContact CD2-CB 4Å; Y514-E559 HydrophobicContact CD2-CG 4.26Å; Y514-E559 HydrophobicContact CE2-CB 4.16Å; Y514-E559 HydrophobicContact CG-CB 4.26Å; Y514-L562 HydrophobicContact CE2-CD1 4.24Å
515	T	75.2	Confident	82.1	Confident	107 Å²	107	55.1 Å²	55.1	66%	0.656	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-23.6	169.8	51.6	0	0	0	0	113.5	A513	A513-T515 PolarHBondContact O-N 2.91Å
516	S	80.3	Confident	80.7	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.007	32%	0.321	C	S	.	.			trans	-81.7	115.2	175.6	-68.8	0	0	0	0	110.4	A513 Y514 V531 N533 E536 L540 R554	A513-S516 WeakPolarHBondContact O-CA 3.47Å; A513-S516 WeakPolarHBondContact O-CB 3.45Å; A513-S516 PolarHBondContact O-N 2.93Å; Y514-S516 VanDerWaalsContact C-N 3.34Å; S516-V531 CarbonylContact C-O 3.57Å; S516-V531 VanDerWaalsContact CA-O 3.26Å; S516-V531 WeakPolarHBondContact CA-O 3.29Å; S516-N533 PolarHBondContact OG-N 3.41Å; S516-E536 VanDerWaalsContact CB-OE2 3.31Å; S516-E536 WeakPolarHBondContact CB-OE2 3.41Å; S516-E536 PolarHBondContact OG-OE2 2.76Å; S516-L540 VanDerWaalsContact O-CD1 3.29Å; S516-L540 WeakPolarHBondContact O-CD1 3.43Å; S516-R554 PolarHBondContact O-NH1 3.1Å
517	K	82.6	Confident	79.6	Confident	85 Å²	85	60.5 Å²	60.5	37%	0.37	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150.8	-173.8	-60.5	-172	-176.1	-173.2	0	111.4	Y514 V531	Y514-K517 WeakPolarHBondContact O-CE 3.06Å; K517-V531 PolarHBondContact N-O 3.46Å; K517-V531 PolarHBondContact O-N 3.22Å
518	I	86.9	Confident	79	Confident	31 Å²	31	62.8 Å²	62.8	16%	0.159	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	135.4	162.6	-59.2	178.4	0	0	0	107.7	P528 L540 G541 Y550	I518-P528 HydrophobicContact CG2-CB 3.64Å; I518-L540 HydrophobicContact CD1-CB 4.22Å; I518-L540 HydrophobicContact CG1-CB 4.48Å; I518-G541 VanDerWaalsContact CD1-CA 3.41Å; I518-Y550 HydrophobicContact CB-CE1 4.31Å; I518-Y550 HydrophobicContact CD1-CE1 4.45Å; I518-Y550 HydrophobicContact CG1-CE1 4.46Å; I518-Y550 PolarHBondContact N-OH 3.15Å; I518-Y550 PolarHBondContact O-OH 3.35Å; I518-Y550 VanDerWaalsContact O-OH 3.04Å
519	L	82.6	Confident	78.3	Confident	62 Å²	62	68.4 Å²	68.4	33%	0.325	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	154	175.1	-62.4	177	0	0	0	109.8	P528 R529 V531	L519-P528 CarbonylContact O-C 3.5Å; L519-P528 WeakPolarHBondContact O-CA 3.37Å; L519-P528 WeakPolarHBondContact O-CB 3.29Å; L519-R529 HydrophobicContact CB-CB 4.37Å; L519-R529 PolarHBondContact N-O 3.3Å; L519-R529 PolarHBondContact O-N 2.64Å; L519-V531 HydrophobicContact CD1-CG2 3.68Å; L519-V531 HydrophobicContact CG-CG2 4.27Å
520	P	81.9	Confident	77.5	Confident	103 Å²	103	70 Å²	70	67%	0.669	39%	0.386	S	S	*	.			trans	-56.4	156.9	170.3	25.7	-35.3	0	0	0	111.4
521	P	78.5	Confident	76.7	Confident	48 Å²	48	72.2 Å²	72.2	31%	0.312	40%	0.4	S	S	.	.			trans	-66.4	147.9	177.6	30.8	-37.4	0	0	0	111.6	K523 G526	P521-K523 WeakPolarHBondContact CB-O 3.41Å; P521-K523 PolarHBondContact O-N 2.93Å; P521-G526 VanDerWaalsContact CB-C 3.47Å; P521-G526 WeakPolarHBondContact CB-O 3.47Å; P521-G526 WeakPolarHBondContact CG-O 3.32Å
522	E	66.1	Low	75.8	Confident	149 Å²	149	74.6 Å²	74.6	70%	0.696	42%	0.424	S	S	*	.	S	Bend	trans	-73.7	-6.2	178.1	-64.2	174.5	-165.9	0	0	113.6	R529	E522-R529 WeakPolarHBondContact OE1-CD 3.27Å; E522-R529 IonicContact OE1-CZ 3.65Å; E522-R529 IonicContact OE1-NE 2.62Å; E522-R529 IonicContact OE1-NH1 2.92Å; E522-R529 PolarHBondContact OE1-NH1 3.24Å
523	K	70.3	Confident	75.1	Confident	169 Å²	169	78.2 Å²	78.2	74%	0.735	44%	0.443	S	S	*	.	S	Bend	trans	-141.1	142.2	177.2	-63.5	177.1	-176	170.3	0	108.7	P521 G525 G526	P521-K523 WeakPolarHBondContact CB-O 3.41Å; P521-K523 PolarHBondContact O-N 2.93Å; K523-G525 PolarHBondContact O-N 3.33Å; K523-G526 PolarHBondContact O-N 2.93Å
524	E	58.2	Low	75.2	Confident	206 Å²	206	80.4 Å²	80.4	96%	0.963	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	137.8	174.4	-63.6	-174.4	128.6	0	0	110.9	G526	E524-G526 PolarHBondContact O-N 2.85Å
525	G	63.7	Low	75.4	Confident	89 Å²	89	79.6 Å²	79.6	92%	0.918	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	-2.2	-173.1	0	0	0	0	0	115.7	K523	K523-G525 PolarHBondContact O-N 3.33Å
526	G	65.3	Low	76	Confident	35 Å²	35	75.1 Å²	75.1	36%	0.361	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-74.2	165.7	175.8	0	0	0	0	0	114.3	P521 K523 E524	P521-G526 VanDerWaalsContact CB-C 3.47Å; P521-G526 WeakPolarHBondContact CB-O 3.47Å; P521-G526 WeakPolarHBondContact CG-O 3.32Å; K523-G526 PolarHBondContact O-N 2.93Å; E524-G526 PolarHBondContact O-N 2.85Å
527	L	70.4	Confident	76.3	Confident	111 Å²	111	75 Å²	75	58%	0.581	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-77.2	138.9	173	-72.4	172.8	0	0	0	111.5	M472	M472-L527 HydrophobicContact SD-CD1 3.84Å
528	P	80.7	Confident	76.7	Confident	50 Å²	50	71 Å²	71	33%	0.325	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-53	140.7	174.6	-29.1	33.9	0	0	0	113.9	R474 I518 L519	R474-P528 PolarHBondContact NH1-O 3.17Å; I518-P528 HydrophobicContact CG2-CB 3.64Å; L519-P528 CarbonylContact O-C 3.5Å; L519-P528 WeakPolarHBondContact O-CA 3.37Å; L519-P528 WeakPolarHBondContact O-CB 3.29Å
529	R	79.3	Confident	77	Confident	118 Å²	118	69.7 Å²	69.7	45%	0.445	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.9	-174.7	-165.9	178.5	82.6	167	5.5	110.8	L519 E522	L519-R529 HydrophobicContact CB-CB 4.37Å; L519-R529 PolarHBondContact N-O 3.3Å; L519-R529 PolarHBondContact O-N 2.64Å; E522-R529 WeakPolarHBondContact OE1-CD 3.27Å; E522-R529 IonicContact OE1-CZ 3.65Å; E522-R529 IonicContact OE1-NE 2.62Å; E522-R529 IonicContact OE1-NH1 2.92Å; E522-R529 PolarHBondContact OE1-NH1 3.24Å
530	Q	77.9	Confident	77.5	Confident	33 Å²	33	66.8 Å²	66.8	15%	0.154	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	128.8	172.6	-65.2	-173.4	-25.4	0	0	110	R474 M475 C537	R474-Q530 HydrophobicContact CG-CG 4.24Å; M475-Q530 PolarHBondContact O-NE2 3.45Å; Q530-C537 HydrophobicContact CB-CB 3.73Å; Q530-C537 VanDerWaalsContact CD-CB 3.49Å; Q530-C537 HydrophobicContact CG-CB 3.61Å
531	V	74.9	Confident	78	Confident	53 Å²	53	62.2 Å²	62.2	32%	0.321	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.8	175.8	178.8	0	0	0	0	108.6	S516 K517 L519 C537	S516-V531 CarbonylContact C-O 3.57Å; S516-V531 VanDerWaalsContact CA-O 3.26Å; S516-V531 WeakPolarHBondContact CA-O 3.29Å; K517-V531 PolarHBondContact N-O 3.46Å; K517-V531 PolarHBondContact O-N 3.22Å; L519-V531 HydrophobicContact CD1-CG2 3.68Å; L519-V531 HydrophobicContact CG-CG2 4.27Å; V531-C537 PolarHBondContact O-SG 3.12Å
532	G	72.1	Confident	78.7	Confident	49 Å²	49	60 Å²	60	51%	0.505	34%	0.335	S	S	.	.	S	Bend	trans	92	-147.9	-174.5	0	0	0	0	0	112.6	K534	G532-K534 PolarHBondContact O-N 2.75Å
533	N	74.4	Confident	80	Confident	79 Å²	79	52.9 Å²	52.9	42%	0.422	30%	0.302	S	S	.	.			trans	-76.1	115.1	-177.3	-178.6	-25.7	0	0	0	110.3	S516 T535 E536 C537	S516-N533 PolarHBondContact OG-N 3.41Å; N533-T535 PolarHBondContact O-N 3.14Å; N533-T535 VanDerWaalsContact O-N 3.12Å; N533-T535 WeakPolarHBondContact OD1-CB 3.43Å; N533-T535 PolarHBondContact OD1-N 3.15Å; N533-E536 HydrophobicContact CB-CB 4.31Å; N533-E536 HydrophobicContact CB-CG 3.86Å; N533-E536 WeakPolarHBondContact O-CA 3.33Å; N533-E536 WeakPolarHBondContact O-CB 3.44Å; N533-E536 PolarHBondContact O-N 2.7Å; N533-C537 PolarHBondContact O-N 2.94Å; N533-C537 PolarHBondContact O-SG 2.82Å
534	K	79.5	Confident	81	Confident	77 Å²	77	48.2 Å²	48.2	34%	0.335	29%	0.287	S	S	.	.	H	α-helix	trans	-55.4	-33.3	-178	-57.1	-169.4	-179.3	-169.7	0	113.5	N473 M475 G532 E536 C537 A538	N473-K534 WeakPolarHBondContact O-CD 3.17Å; N473-K534 PolarHBondContact O-NZ 2.74Å; N473-K534 PolarHBondContact OD1-NZ 3.42Å; M475-K534 HydrophobicContact CB-CB 4.27Å; M475-K534 WeakPolarHBondContact CB-O 3.37Å; M475-K534 HydrophobicContact CG-CB 3.78Å; G532-K534 PolarHBondContact O-N 2.75Å; K534-E536 VanDerWaalsContact C-N 3.34Å; K534-E536 PolarHBondContact O-N 2.69Å; K534-C537 PolarHBondContact O-N 3.08Å; K534-A538 PolarHBondContact O-N 2.89Å
535	T	83.5	Confident	82.5	Confident	17 Å²	17	42.3 Å²	42.3	10%	0.104	26%	0.262	C	S	.	.	H	α-helix	trans	-69.9	-32.3	177.5	-49.7	0	0	0	0	111.6	N533 L539 R636 I638 I670	N533-T535 PolarHBondContact O-N 3.14Å; N533-T535 VanDerWaalsContact O-N 3.12Å; N533-T535 WeakPolarHBondContact OD1-CB 3.43Å; N533-T535 PolarHBondContact OD1-N 3.15Å; T535-L539 WeakPolarHBondContact O-CG 3.33Å; T535-R636 PolarHBondContact OG1-NH1 2.77Å; T535-I638 HydrophobicContact CG2-CD1 4.42Å; T535-I638 HydrophobicContact CG2-CG1 4.21Å; T535-I670 HydrophobicContact CG2-CD1 3.75Å
536	E	87.1	Confident	83.7	Confident	12 Å²	12	38 Å²	38	6%	0.056	22%	0.219	C	C	.	.	H	α-helix	trans	-74.8	-38.7	171.3	-55.6	-170.5	114.7	0	0	111.5	S512 A513 S516 N533 K534 A538 L539 L540 K591	S512-E536 VanDerWaalsContact CA-OE1 3.31Å; S512-E536 WeakPolarHBondContact CA-OE1 3.47Å; A513-E536 WeakPolarHBondContact CB-OE2 3.27Å; A513-E536 PolarHBondContact N-OE1 3Å; A513-E536 VanDerWaalsContact N-OE1 3.09Å; S516-E536 VanDerWaalsContact CB-OE2 3.31Å; S516-E536 WeakPolarHBondContact CB-OE2 3.41Å; S516-E536 PolarHBondContact OG-OE2 2.76Å; N533-E536 HydrophobicContact CB-CB 4.31Å; N533-E536 HydrophobicContact CB-CG 3.86Å; N533-E536 WeakPolarHBondContact O-CA 3.33Å; N533-E536 WeakPolarHBondContact O-CB 3.44Å; N533-E536 PolarHBondContact O-N 2.7Å; K534-E536 VanDerWaalsContact C-N 3.34Å; K534-E536 PolarHBondContact O-N 2.69Å; E536-A538 PolarHBondContact O-N 2.73Å; E536-L539 WeakPolarHBondContact O-CB 3.49Å; E536-L539 PolarHBondContact O-N 3.47Å; E536-L540 WeakPolarHBondContact O-CG 3.44Å; E536-L540 PolarHBondContact O-N 3.26Å; E536-K591 IonicContact OE1-NZ 3.13Å; E536-K591 PolarHBondContact OE1-NZ 3.43Å
537	C	87.4	Confident	84.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-28.3	175.6	-58.3	0	0	0	0	112.5	Q530 V531 N533 K534 G541	Q530-C537 HydrophobicContact CB-CB 3.73Å; Q530-C537 VanDerWaalsContact CD-CB 3.49Å; Q530-C537 HydrophobicContact CG-CB 3.61Å; V531-C537 PolarHBondContact O-SG 3.12Å; N533-C537 PolarHBondContact O-N 2.94Å; N533-C537 PolarHBondContact O-SG 2.82Å; K534-C537 PolarHBondContact O-N 3.08Å; C537-G541 PolarHBondContact O-N 3.4Å
538	A	90.1	Very high	85.9	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-39.1	170	0	0	0	0	0	112.5	M475 K534 E536 G541 F542 I670	M475-A538 HydrophobicContact CB-CB 3.81Å; M475-A538 WeakPolarHBondContact O-CA 3.31Å; M475-A538 VanDerWaalsContact O-CB 3.24Å; M475-A538 WeakPolarHBondContact O-CB 3.4Å; K534-A538 PolarHBondContact O-N 2.89Å; E536-A538 PolarHBondContact O-N 2.73Å; A538-G541 PolarHBondContact O-N 3.11Å; A538-F542 PolarHBondContact O-N 3.21Å; A538-I670 HydrophobicContact CB-CD1 4.28Å; A538-I670 HydrophobicContact CB-CG2 3.59Å
539	L	93.3	Very high	86.4	Confident	3 Å²	3	44 Å²	44	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-71.9	-44.5	177.3	-62.4	172.4	0	0	0	111.2	V477 I508 T535 E536 G541 F542 V543 K591 I640 V668 I670	V477-L539 HydrophobicContact CG2-CD2 4.34Å; I508-L539 HydrophobicContact CD1-CB 4.28Å; I508-L539 HydrophobicContact CG1-CB 4.25Å; I508-L539 HydrophobicContact CG2-CB 3.65Å; T535-L539 WeakPolarHBondContact O-CG 3.33Å; E536-L539 WeakPolarHBondContact O-CB 3.49Å; E536-L539 PolarHBondContact O-N 3.47Å; L539-G541 PolarHBondContact O-N 3.47Å; L539-F542 WeakPolarHBondContact O-CB 3.37Å; L539-F542 PolarHBondContact O-N 3.49Å; L539-V543 PolarHBondContact O-N 2.96Å; L539-V543 VanDerWaalsContact O-N 3.1Å; L539-K591 HydrophobicContact CD1-CD 4.05Å; L539-I640 HydrophobicContact CD2-CD1 4.31Å; L539-V668 HydrophobicContact CD2-CG2 3.62Å; L539-I670 HydrophobicContact CD2-CD1 4.1Å; L539-I670 HydrophobicContact CG-CD1 4.35Å
540	L	93.8	Very high	87	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.8	-35.7	172.5	-65.2	170.3	0	0	0	111.1	I508 S516 I518 E536 V543 T544 Y550	I508-L540 HydrophobicContact CG2-CD2 4.15Å; S516-L540 VanDerWaalsContact O-CD1 3.29Å; S516-L540 WeakPolarHBondContact O-CD1 3.43Å; I518-L540 HydrophobicContact CD1-CB 4.22Å; I518-L540 HydrophobicContact CG1-CB 4.48Å; E536-L540 WeakPolarHBondContact O-CG 3.44Å; E536-L540 PolarHBondContact O-N 3.26Å; L540-V543 WeakPolarHBondContact O-CB 3.3Å; L540-V543 PolarHBondContact O-N 3.26Å; L540-T544 PolarHBondContact O-N 3.25Å; L540-T544 VanDerWaalsContact O-N 3.17Å; L540-T544 PolarHBondContact O-OG1 3.4Å; L540-Y550 HydrophobicContact CB-CD1 3.96Å; L540-Y550 HydrophobicContact CB-CE1 4.07Å; L540-Y550 HydrophobicContact CB-CG 4.49Å; L540-Y550 HydrophobicContact CD2-CD1 4.09Å; L540-Y550 HydrophobicContact CD2-CD2 4Å; L540-Y550 HydrophobicContact CD2-CG 3.74Å
541	G	91.5	Very high	87.6	Confident	8 Å²	8	40.3 Å²	40.3	8%	0.082	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-46.7	173.1	0	0	0	0	0	111.8	I518 C537 A538 L539 V543 T544 D545	I518-G541 VanDerWaalsContact CD1-CA 3.41Å; C537-G541 PolarHBondContact O-N 3.4Å; A538-G541 PolarHBondContact O-N 3.11Å; L539-G541 PolarHBondContact O-N 3.47Å; G541-V543 VanDerWaalsContact C-N 3.27Å; G541-V543 PolarHBondContact O-N 2.95Å; G541-T544 CarbonylContact O-C 3.43Å; G541-T544 WeakPolarHBondContact O-CA 3.46Å; G541-T544 WeakPolarHBondContact O-CB 3.18Å; G541-T544 PolarHBondContact O-N 2.88Å; G541-D545 PolarHBondContact O-N 3.46Å
542	F	93.6	Very high	88.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.4	-35.3	174.8	178.1	-124.6	0	0	0	113.1	V477 A480 I482 I490 I504 I508 A538 L539 D545 L546 V668	V477-F542 HydrophobicContact CB-CB 3.93Å; V477-F542 HydrophobicContact CB-CD2 4.08Å; V477-F542 HydrophobicContact CB-CG 4.07Å; V477-F542 HydrophobicContact CG1-CD2 3.82Å; V477-F542 HydrophobicContact CG1-CE2 4.16Å; V477-F542 HydrophobicContact CG1-CG 4.1Å; V477-F542 HydrophobicContact CG2-CB 3.69Å; V477-F542 HydrophobicContact CG2-CD1 4.45Å; V477-F542 HydrophobicContact CG2-CD2 4.5Å; V477-F542 HydrophobicContact CG2-CG 4Å; A480-F542 HydrophobicContact CB-CZ 4.28Å; I482-F542 HydrophobicContact CD1-CZ 4.17Å; I490-F542 HydrophobicContact CD1-CD2 3.79Å; I490-F542 HydrophobicContact CD1-CE2 4.27Å; I490-F542 HydrophobicContact CG1-CD2 4.02Å; I490-F542 HydrophobicContact CG1-CE2 3.97Å; I490-F542 HydrophobicContact CG2-CD2 4.29Å; I490-F542 HydrophobicContact CG2-CE2 3.97Å; I504-F542 HydrophobicContact CG2-CE1 4.01Å; I508-F542 HydrophobicContact CD1-CD1 3.85Å; I508-F542 HydrophobicContact CD1-CE1 4.46Å; A538-F542 PolarHBondContact O-N 3.21Å; L539-F542 WeakPolarHBondContact O-CB 3.37Å; L539-F542 PolarHBondContact O-N 3.49Å; F542-D545 PolarHBondContact O-N 3Å; F542-L546 HydrophobicContact CD1-CD1 4.27Å; F542-L546 HydrophobicContact CD2-CD1 4.34Å; F542-L546 HydrophobicContact CD2-CG 4.36Å; F542-L546 HydrophobicContact CE1-CD1 3.92Å; F542-L546 HydrophobicContact CE2-CD1 4Å; F542-L546 HydrophobicContact CE2-CD2 4.38Å; F542-L546 HydrophobicContact CE2-CG 4.13Å; F542-L546 HydrophobicContact CG-CD1 4.47Å; F542-L546 HydrophobicContact CZ-CD1 3.78Å; F542-L546 HydrophobicContact CZ-CG 4.4Å; F542-L546 WeakPolarHBondContact O-CB 3.4Å; F542-L546 VanDerWaalsContact O-CG 3.22Å; F542-L546 WeakPolarHBondContact O-CG 3.5Å; F542-L546 PolarHBondContact O-N 2.75Å; F542-V668 HydrophobicContact CD1-CG1 4.48Å; F542-V668 HydrophobicContact CE1-CG1 4.08Å; F542-V668 HydrophobicContact CZ-CG1 4.49Å
543	V	93.4	Very high	89.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-42.2	171.7	172.8	0	0	0	0	111.3	V505 I508 L539 L540 G541 L546 Q548	V505-V543 HydrophobicContact CG1-CG1 4.05Å; V505-V543 HydrophobicContact CG2-CG1 4.26Å; I508-V543 HydrophobicContact CB-CG2 3.84Å; I508-V543 HydrophobicContact CD1-CG2 3.81Å; I508-V543 HydrophobicContact CG1-CG2 4.43Å; I508-V543 HydrophobicContact CG2-CG2 3.66Å; L539-V543 PolarHBondContact O-N 2.96Å; L539-V543 VanDerWaalsContact O-N 3.1Å; L540-V543 WeakPolarHBondContact O-CB 3.3Å; L540-V543 PolarHBondContact O-N 3.26Å; G541-V543 VanDerWaalsContact C-N 3.27Å; G541-V543 PolarHBondContact O-N 2.95Å; V543-L546 CarbonylContact O-C 3.4Å; V543-L546 PolarHBondContact O-N 3.3Å; V543-Q548 CarbonylContact C-O 3.58Å; V543-Q548 HydrophobicContact CG1-CB 3.88Å; V543-Q548 PolarHBondContact O-N 2.95Å
544	T	90.8	Very high	89.9	Confident	71 Å²	71	34.6 Å²	34.6	44%	0.436	18%	0.179	S	C	.	.	H	α-helix	trans	-68.4	-37.1	174.6	-54.1	0	0	0	0	113	L540 G541 L546 K547	L540-T544 PolarHBondContact O-N 3.25Å; L540-T544 VanDerWaalsContact O-N 3.17Å; L540-T544 PolarHBondContact O-OG1 3.4Å; G541-T544 CarbonylContact O-C 3.43Å; G541-T544 WeakPolarHBondContact O-CA 3.46Å; G541-T544 WeakPolarHBondContact O-CB 3.18Å; G541-T544 PolarHBondContact O-N 2.88Å; T544-L546 VanDerWaalsContact C-N 3.28Å; T544-L546 PolarHBondContact O-N 2.91Å; T544-K547 VanDerWaalsContact O-CA 3.31Å; T544-K547 WeakPolarHBondContact O-CA 3.3Å; T544-K547 PolarHBondContact O-N 3.47Å
545	D	89.4	Confident	90.4	Very high	82 Å²	82	36.1 Å²	36.1	44%	0.439	19%	0.191	S	C	.	.	H	α-helix	trans	-66.2	-32.3	175.7	-62.3	-36	0	0	0	111.2	I490 G541 F542 K547	I490-D545 HydrophobicContact CD1-CB 4.37Å; G541-D545 PolarHBondContact O-N 3.46Å; F542-D545 PolarHBondContact O-N 3Å; D545-K547 PolarHBondContact O-N 3.15Å
546	L	90.3	Very high	90.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	9.4	167.2	-66.8	171.6	0	0	0	113.6	I490 P493 F496 L501 I504 F542 V543 T544 Q548	I490-L546 HydrophobicContact CG2-CD2 4.38Å; P493-L546 VanDerWaalsContact CB-O 3.32Å; P493-L546 WeakPolarHBondContact CB-O 3.46Å; P493-L546 WeakPolarHBondContact CG-O 3.3Å; F496-L546 HydrophobicContact CD2-CD2 4.11Å; F496-L546 HydrophobicContact CE2-CD2 3.52Å; F496-L546 HydrophobicContact CZ-CD2 4.44Å; L501-L546 HydrophobicContact CD1-CB 4.26Å; L501-L546 HydrophobicContact CD1-CD1 3.99Å; I504-L546 HydrophobicContact CG2-CD1 4.36Å; F542-L546 HydrophobicContact CD1-CD1 4.27Å; F542-L546 HydrophobicContact CD2-CD1 4.34Å; F542-L546 HydrophobicContact CD2-CG 4.36Å; F542-L546 HydrophobicContact CE1-CD1 3.92Å; F542-L546 HydrophobicContact CE2-CD1 4Å; F542-L546 HydrophobicContact CE2-CD2 4.38Å; F542-L546 HydrophobicContact CE2-CG 4.13Å; F542-L546 HydrophobicContact CG-CD1 4.47Å; F542-L546 HydrophobicContact CZ-CD1 3.78Å; F542-L546 HydrophobicContact CZ-CG 4.4Å; F542-L546 WeakPolarHBondContact O-CB 3.4Å; F542-L546 VanDerWaalsContact O-CG 3.22Å; F542-L546 WeakPolarHBondContact O-CG 3.5Å; F542-L546 PolarHBondContact O-N 2.75Å; V543-L546 CarbonylContact O-C 3.4Å; V543-L546 PolarHBondContact O-N 3.3Å; T544-L546 VanDerWaalsContact C-N 3.28Å; T544-L546 PolarHBondContact O-N 2.91Å; L546-Q548 VanDerWaalsContact C-N 3.28Å; L546-Q548 PolarHBondContact O-N 3.15Å
547	K	90.3	Very high	90.6	Very high	154 Å²	154	42.6 Å²	42.6	67%	0.67	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	30.5	179.7	-50.3	179.6	-175.5	171.6	0	114.4	P493 T544 D545	P493-K547 HydrophobicContact CG-CB 4.41Å; P493-K547 HydrophobicContact CG-CD 4.15Å; P493-K547 HydrophobicContact CG-CG 4.31Å; T544-K547 VanDerWaalsContact O-CA 3.31Å; T544-K547 WeakPolarHBondContact O-CA 3.3Å; T544-K547 PolarHBondContact O-N 3.47Å; D545-K547 PolarHBondContact O-N 3.15Å
548	Q	91	Very high	90.3	Very high	79 Å²	79	44.4 Å²	44.4	37%	0.369	23%	0.234	S	C	.	.			trans	-111	147.6	176.3	-59.3	-59	-47.4	0	0	110.7	L501 V505 V543 L546	L501-Q548 HydrophobicContact CD1-CG 4.36Å; L501-Q548 HydrophobicContact CD2-CG 4.37Å; L501-Q548 HydrophobicContact CG-CG 4.45Å; V505-Q548 HydrophobicContact CG1-CB 4.43Å; V505-Q548 HydrophobicContact CG2-CB 3.89Å; V505-Q548 HydrophobicContact CG2-CG 3.79Å; V543-Q548 CarbonylContact C-O 3.58Å; V543-Q548 HydrophobicContact CG1-CB 3.88Å; V543-Q548 PolarHBondContact O-N 2.95Å; L546-Q548 VanDerWaalsContact C-N 3.28Å; L546-Q548 PolarHBondContact O-N 3.15Å
549	D	90.6	Very high	89.7	Confident	89 Å²	89	50.2 Å²	50.2	48%	0.476	26%	0.261	S	S	.	.			trans	-93.8	112.2	175.1	179.8	27.4	0	0	0	111.1	Q551 A552	D549-Q551 PolarHBondContact O-N 3.07Å; D549-Q551 VanDerWaalsContact OD1-CB 3.31Å; D549-Q551 WeakPolarHBondContact OD1-CB 3.41Å; D549-Q551 PolarHBondContact OD1-N 2.96Å; D549-A552 HydrophobicContact CB-CB 4.28Å; D549-A552 WeakPolarHBondContact OD2-CB 3.48Å; D549-A552 PolarHBondContact OD2-N 3.21Å
550	Y	92.1	Very high	88.8	Confident	18 Å²	18	59.1 Å²	59.1	7%	0.071	30%	0.302	C	S	.	.	H	α-helix	trans	-68.1	-22.6	173.1	69.4	-108.4	0	0	0	112.3	S509 I518 L540 R554	S509-Y550 VanDerWaalsContact OG-CB 3.29Å; S509-Y550 WeakPolarHBondContact OG-CB 3.34Å; I518-Y550 HydrophobicContact CB-CE1 4.31Å; I518-Y550 HydrophobicContact CD1-CE1 4.45Å; I518-Y550 HydrophobicContact CG1-CE1 4.46Å; I518-Y550 PolarHBondContact N-OH 3.15Å; I518-Y550 PolarHBondContact O-OH 3.35Å; I518-Y550 VanDerWaalsContact O-OH 3.04Å; L540-Y550 HydrophobicContact CB-CD1 3.96Å; L540-Y550 HydrophobicContact CB-CE1 4.07Å; L540-Y550 HydrophobicContact CB-CG 4.49Å; L540-Y550 HydrophobicContact CD2-CD1 4.09Å; L540-Y550 HydrophobicContact CD2-CD2 4Å; L540-Y550 HydrophobicContact CD2-CG 3.74Å; Y550-R554 WeakPolarHBondContact O-CG 3.46Å; Y550-R554 PolarHBondContact O-N 3.49Å; Y550-R554 VanDerWaalsContact O-N 3.17Å
551	Q	89.8	Confident	88.3	Confident	55 Å²	55	65.3 Å²	65.3	26%	0.257	33%	0.329	S	S	.	.	H	α-helix	trans	-78.3	-36.3	-175.1	-168.9	56.8	59.1	0	0	111.4	D549 V553 R554 N555	D549-Q551 PolarHBondContact O-N 3.07Å; D549-Q551 VanDerWaalsContact OD1-CB 3.31Å; D549-Q551 WeakPolarHBondContact OD1-CB 3.41Å; D549-Q551 PolarHBondContact OD1-N 2.96Å; Q551-V553 PolarHBondContact O-N 2.71Å; Q551-R554 CarbonylContact O-C 3.52Å; Q551-R554 PolarHBondContact O-N 3.38Å; Q551-N555 PolarHBondContact NE2-OD1 3.35Å; Q551-N555 PolarHBondContact O-N 2.97Å; Q551-N555 PolarHBondContact O-ND2 3.1Å; Q551-N555 PolarHBondContact O-OD1 2.88Å
552	A	91.6	Very high	87.9	Confident	40 Å²	40	66.4 Å²	66.4	33%	0.331	33%	0.333	S	S	.	.	H	α-helix	trans	-51.4	-52.8	167.7	0	0	0	0	0	112	D549 R554 N555 E556	D549-A552 HydrophobicContact CB-CB 4.28Å; D549-A552 WeakPolarHBondContact OD2-CB 3.48Å; D549-A552 PolarHBondContact OD2-N 3.21Å; A552-R554 VanDerWaalsContact C-N 3.29Å; A552-R554 PolarHBondContact O-N 3.12Å; A552-N555 WeakPolarHBondContact O-CA 3.5Å; A552-N555 WeakPolarHBondContact O-CB 3.09Å; A552-N555 PolarHBondContact O-N 3.41Å; A552-E556 PolarHBondContact O-N 3.28Å
553	V	90.5	Very high	87.5	Confident	17 Å²	17	71.4 Å²	71.4	10%	0.103	35%	0.353	C	S	.	.	H	α-helix	trans	-58.9	-40.1	177	175.5	0	0	0	0	112	V505 N506 I510 Q551 N555 E556 V557	V505-V553 HydrophobicContact CG1-CG2 3.98Å; N506-V553 WeakPolarHBondContact OD1-CG1 3.42Å; I510-V553 HydrophobicContact CD1-CG1 4.2Å; I510-V553 HydrophobicContact CG1-CG1 3.91Å; Q551-V553 PolarHBondContact O-N 2.71Å; V553-N555 VanDerWaalsContact C-N 3.31Å; V553-N555 PolarHBondContact O-N 2.89Å; V553-E556 PolarHBondContact O-N 2.89Å; V553-V557 PolarHBondContact O-N 2.96Å
554	R	88.7	Confident	87.1	Confident	3 Å²	3	74.7 Å²	74.7	1%	0.011	37%	0.367	C	S	.	.	H	α-helix	trans	-71.1	-21.8	175.6	-75.9	-179.6	167.2	-171.8	-16.8	114.1	S509 S512 A513 Y514 S516 Y550 Q551 A552 V557 P558	S509-R554 PolarHBondContact O-NE 3.4Å; S512-R554 PolarHBondContact O-NH2 3.28Å; A513-R554 PolarHBondContact O-NH2 2.84Å; Y514-R554 HydrophobicContact CE1-CB 3.87Å; Y514-R554 HydrophobicContact CE1-CG 4.07Å; Y514-R554 VanDerWaalsContact OH-CA 3.25Å; Y514-R554 WeakPolarHBondContact OH-CA 3.23Å; Y514-R554 VanDerWaalsContact OH-CB 3.29Å; Y514-R554 WeakPolarHBondContact OH-CB 3.13Å; Y514-R554 WeakPolarHBondContact OH-CG 3.39Å; Y514-R554 PolarHBondContact OH-O 3.49Å; S516-R554 PolarHBondContact O-NH1 3.1Å; Y550-R554 WeakPolarHBondContact O-CG 3.46Å; Y550-R554 PolarHBondContact O-N 3.49Å; Y550-R554 VanDerWaalsContact O-N 3.17Å; Q551-R554 CarbonylContact O-C 3.52Å; Q551-R554 PolarHBondContact O-N 3.38Å; A552-R554 VanDerWaalsContact C-N 3.29Å; A552-R554 PolarHBondContact O-N 3.12Å; R554-V557 CarbonylContact O-C 3.54Å; R554-P558 WeakPolarHBondContact O-CA 3.43Å
555	N	88.9	Confident	86.7	Confident	109 Å²	109	74.3 Å²	74.3	58%	0.583	36%	0.364	S	S	*	.	H	α-helix	trans	-79.7	-33.2	172.1	-60.7	-18.6	0	0	0	111	Q551 A552 V553	Q551-N555 PolarHBondContact NE2-OD1 3.35Å; Q551-N555 PolarHBondContact O-N 2.97Å; Q551-N555 PolarHBondContact O-ND2 3.1Å; Q551-N555 PolarHBondContact O-OD1 2.88Å; A552-N555 WeakPolarHBondContact O-CA 3.5Å; A552-N555 WeakPolarHBondContact O-CB 3.09Å; A552-N555 PolarHBondContact O-N 3.41Å; V553-N555 VanDerWaalsContact C-N 3.31Å; V553-N555 PolarHBondContact O-N 2.89Å
556	E	88.4	Confident	86.4	Confident	136 Å²	136	70.8 Å²	70.8	64%	0.636	35%	0.345	S	S	*	.	H	α-helix	trans	-72.9	-38.6	174.1	-69.3	-177.5	-172.1	0	0	112.6	A552 V553 P558 K561	A552-E556 PolarHBondContact O-N 3.28Å; V553-E556 PolarHBondContact O-N 2.89Å; E556-P558 VanDerWaalsContact O-CD 3.29Å; E556-P558 WeakPolarHBondContact O-CD 3.18Å; E556-K561 PolarHBondContact O-NZ 3.39Å
557	V	86.6	Confident	86	Confident	29 Å²	29	75 Å²	75	18%	0.176	37%	0.371	C	S	.	.	S	Bend	trans	-119.6	68	179.9	-166.8	0	0	0	0	110.7	I510 Y514 V553 R554 K561 L562 I579	I510-V557 HydrophobicContact CD1-CG2 4.33Å; Y514-V557 PolarHBondContact OH-O 3Å; V553-V557 PolarHBondContact O-N 2.96Å; R554-V557 CarbonylContact O-C 3.54Å; V557-K561 HydrophobicContact CG1-CB 4.24Å; V557-L562 HydrophobicContact CG1-CD2 4.06Å; V557-I579 HydrophobicContact CG1-CG2 4.03Å
558	P	81.9	Confident	85.4	Confident	38 Å²	38	73.2 Å²	73.2	25%	0.247	36%	0.364	C	S	.	.			trans	-61.9	165	178.7	28	-36.6	0	0	0	111.8	Y514 R554 E556 E560 K561	Y514-P558 WeakPolarHBondContact OH-CA 3.44Å; R554-P558 WeakPolarHBondContact O-CA 3.43Å; E556-P558 VanDerWaalsContact O-CD 3.29Å; E556-P558 WeakPolarHBondContact O-CD 3.18Å; P558-E560 PolarHBondContact O-N 2.97Å; P558-E560 VanDerWaalsContact O-N 3.09Å; P558-K561 HydrophobicContact CG-CD 4.35Å; P558-K561 HydrophobicContact CG-CG 4.1Å; P558-K561 PolarHBondContact O-N 2.85Å
559	E	77.4	Confident	84.5	Confident	124 Å²	124	72.8 Å²	72.8	58%	0.579	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-53.2	-34.3	-177.1	-166.8	157.6	-156.5	0	0	113	Y514 K561 L562	Y514-E559 HydrophobicContact CD2-CB 4Å; Y514-E559 HydrophobicContact CD2-CG 4.26Å; Y514-E559 HydrophobicContact CE2-CB 4.16Å; Y514-E559 HydrophobicContact CG-CB 4.26Å; E559-K561 VanDerWaalsContact C-N 3.27Å; E559-K561 PolarHBondContact O-N 2.91Å; E559-L562 HydrophobicContact CG-CD1 4.4Å; E559-L562 WeakPolarHBondContact O-CB 3.48Å; E559-L562 WeakPolarHBondContact O-CG 3.4Å; E559-L562 PolarHBondContact O-N 3.06Å; E559-L562 VanDerWaalsContact O-N 3.15Å
560	E	75.2	Confident	83.3	Confident	190 Å²	190	73 Å²	73	89%	0.888	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-63.4	-21.2	174.4	-63.6	167.4	-157.8	0	0	115	P558	P558-E560 PolarHBondContact O-N 2.97Å; P558-E560 VanDerWaalsContact O-N 3.09Å
561	K	81.7	Confident	82.3	Confident	130 Å²	130	78.4 Å²	78.4	57%	0.565	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-92.2	-4.3	175.7	-68.1	-169.3	-164.4	168	0	113.4	E556 V557 P558 E559 Y563	E556-K561 PolarHBondContact O-NZ 3.39Å; V557-K561 HydrophobicContact CG1-CB 4.24Å; P558-K561 HydrophobicContact CG-CD 4.35Å; P558-K561 HydrophobicContact CG-CG 4.1Å; P558-K561 PolarHBondContact O-N 2.85Å; E559-K561 VanDerWaalsContact C-N 3.27Å; E559-K561 PolarHBondContact O-N 2.91Å; K561-Y563 PolarHBondContact O-N 3.34Å
562	L	83.2	Confident	81.7	Confident	30 Å²	30	77.7 Å²	77.7	16%	0.157	40%	0.401	C	S	.	.			trans	-76.1	124.1	177.7	-55.4	-177.2	0	0	0	109.4	I510 Y514 V557 E559 V565 T577 I579	I510-L562 HydrophobicContact CG2-CD2 3.88Å; Y514-L562 HydrophobicContact CE2-CD1 4.24Å; V557-L562 HydrophobicContact CG1-CD2 4.06Å; E559-L562 HydrophobicContact CG-CD1 4.4Å; E559-L562 WeakPolarHBondContact O-CB 3.48Å; E559-L562 WeakPolarHBondContact O-CG 3.4Å; E559-L562 PolarHBondContact O-N 3.06Å; E559-L562 VanDerWaalsContact O-N 3.15Å; L562-V565 HydrophobicContact CB-CG2 4.11Å; L562-V565 HydrophobicContact CD1-CG2 3.89Å; L562-T577 HydrophobicContact CD1-CG2 4.17Å; L562-T577 HydrophobicContact CD2-CG2 3.85Å; L562-T577 HydrophobicContact CG-CG2 4.42Å; L562-I579 HydrophobicContact CD2-CG2 3.95Å
563	Y	86.8	Confident	81.4	Confident	105 Å²	105	80.4 Å²	80.4	41%	0.412	41%	0.406	S	S	.	.	S	Bend	trans	-79.2	-41.3	-172.8	-166.4	-102.6	0	0	0	112.7	K561 V578 F586 E649 W652	K561-Y563 PolarHBondContact O-N 3.34Å; Y563-V578 HydrophobicContact CD1-CG1 4.42Å; Y563-V578 PolarHBondContact N-O 3.4Å; Y563-F586 HydrophobicContact CD1-CD1 4.1Å; Y563-F586 AromaticContact CD1-CE1 3.66Å; Y563-F586 HydrophobicContact CD1-CE1 3.66Å; Y563-F586 HydrophobicContact CD2-CE1 4.08Å; Y563-F586 HydrophobicContact CE1-CD1 4.48Å; Y563-F586 AromaticContact CE1-CE1 3.66Å; Y563-F586 HydrophobicContact CE1-CE1 3.66Å; Y563-F586 HydrophobicContact CE1-CZ 4.14Å; Y563-F586 HydrophobicContact CE2-CE1 4.08Å; Y563-F586 HydrophobicContact CG-CD1 4.29Å; Y563-F586 AromaticContact CG-CE1 3.87Å; Y563-F586 HydrophobicContact CG-CE1 3.87Å; Y563-F586 AromaticContact CZ-CE1 3.87Å; Y563-E649 VanDerWaalsContact CE1-OE1 3.28Å; Y563-E649 WeakPolarHBondContact CE1-OE1 3.26Å; Y563-E649 VanDerWaalsContact CZ-OE1 3.31Å; Y563-E649 PolarHBondContact OH-OE1 2.94Å; Y563-W652 HydrophobicContact CD1-CZ2 4.48Å; Y563-W652 AromaticContact CE1-CD1 3.91Å; Y563-W652 AromaticContact CE1-CE2 3.97Å; Y563-W652 HydrophobicContact CE1-CZ2 4.47Å; Y563-W652 AromaticContact CE1-NE1 3.44Å
564	K	84.3	Confident	81.3	Confident	69 Å²	69	79.7 Å²	79.7	30%	0.3	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	135.3	174.6	-169.3	88.2	163.8	-161.4	0	108.6	Y566 V578 W652 D653	K564-Y566 HydrophobicContact CG-CE1 4.05Å; K564-Y566 HydrophobicContact CG-CE2 4.08Å; K564-V578 HydrophobicContact CB-CB 4.23Å; K564-V578 HydrophobicContact CB-CG2 4.17Å; K564-V578 PolarHBondContact O-N 3.12Å; K564-W652 HydrophobicContact CD-CB 4.36Å; K564-D653 IonicContact NZ-OD1 3.64Å; K564-D653 PolarHBondContact NZ-OD1 2.81Å
565	V	82.6	Confident	81.3	Confident	63 Å²	63	80.3 Å²	80.3	38%	0.382	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	112.9	174.4	-177.5	0	0	0	0	109.4	L562 T567 M575 T577	L562-V565 HydrophobicContact CB-CG2 4.11Å; L562-V565 HydrophobicContact CD1-CG2 3.89Å; V565-T567 HydrophobicContact CG1-CG2 4.42Å; V565-T567 PolarHBondContact O-N 2.9Å; V565-M575 HydrophobicContact CG1-CE 4.18Å; V565-T577 HydrophobicContact CG2-CG2 4.19Å
566	Y	83.2	Confident	81.4	Confident	8 Å²	8	75.1 Å²	75.1	3%	0.031	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	94.7	169.1	-56.6	-74.5	0	0	0	108.3	K564 M575 S576 V578 W652 E655	K564-Y566 HydrophobicContact CG-CE1 4.05Å; K564-Y566 HydrophobicContact CG-CE2 4.08Å; Y566-M575 CarbonylContact O-C 3.42Å; Y566-M575 VanDerWaalsContact O-CA 3.28Å; Y566-M575 WeakPolarHBondContact O-CA 3.5Å; Y566-M575 WeakPolarHBondContact O-CG 3.29Å; Y566-S576 WeakPolarHBondContact CA-O 3.39Å; Y566-S576 WeakPolarHBondContact CB-O 3.26Å; Y566-S576 PolarHBondContact N-O 3.42Å; Y566-S576 PolarHBondContact O-N 2.93Å; Y566-V578 HydrophobicContact CE2-CG2 3.98Å; Y566-W652 WeakPolarHBondContact CE1-O 3.11Å; Y566-W652 WeakPolarHBondContact OH-CA 3.49Å; Y566-W652 PolarHBondContact OH-O 3.47Å; Y566-E655 HydrophobicContact CD1-CG 4.01Å; Y566-E655 VanDerWaalsContact CD1-OE1 3.27Å; Y566-E655 WeakPolarHBondContact CD1-OE1 3.46Å; Y566-E655 HydrophobicContact CE1-CG 3.76Å
567	T	81.1	Confident	81.6	Confident	90 Å²	90	68.7 Å²	68.7	55%	0.552	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.8	167.1	-179	54.7	0	0	0	0	113.2	V565 N569 R572	V565-T567 HydrophobicContact CG1-CG2 4.42Å; V565-T567 PolarHBondContact O-N 2.9Å; T567-N569 PolarHBondContact O-N 3.16Å; T567-R572 PolarHBondContact O-NE 2.77Å; T567-R572 PolarHBondContact O-NH2 2.98Å
568	F	77.5	Confident	81.8	Confident	116 Å²	116	67.3 Å²	67.3	51%	0.509	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	129	173.5	-177.4	-89.2	0	0	0	111.3	K573 M575	F568-K573 VanDerWaalsContact CE2-C 3.5Å; F568-K573 HydrophobicContact CE2-CB 4.47Å; F568-M575 HydrophobicContact CB-CB 4.45Å
569	N	73.4	Confident	82.3	Confident	70 Å²	70	66.4 Å²	66.4	37%	0.374	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.8	171.1	158.9	-16.7	0	0	0	108.9	T567 V571 R572 K573	T567-N569 PolarHBondContact O-N 3.16Å; N569-V571 PolarHBondContact O-N 2.95Å; N569-V571 WeakPolarHBondContact OD1-CB 3.29Å; N569-V571 PolarHBondContact OD1-N 3.47Å; N569-R572 HydrophobicContact CB-CG 3.82Å; N569-R572 WeakPolarHBondContact O-CG 3.44Å; N569-R572 PolarHBondContact O-N 2.81Å; N569-R572 VanDerWaalsContact O-N 3.16Å; N569-K573 PolarHBondContact O-N 2.94Å
570	S	64.8	Low	82.8	Confident	92 Å²	92	69.2 Å²	69.2	64%	0.643	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.2	-172	-55.6	0	0	0	0	115.1	K573	S570-K573 VanDerWaalsContact O-CG 3.27Å; S570-K573 WeakPolarHBondContact O-CG 3.16Å
571	V	70.1	Confident	83.2	Confident	132 Å²	132	61.3 Å²	61.3	80%	0.8	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-46.6	175	-175.2	0	0	0	0	110.3	N569	N569-V571 PolarHBondContact O-N 2.95Å; N569-V571 WeakPolarHBondContact OD1-CB 3.29Å; N569-V571 PolarHBondContact OD1-N 3.47Å
572	R	77.9	Confident	83	Confident	40 Å²	40	61.9 Å²	61.9	15%	0.151	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.2	177.9	64.3	165.8	168.2	-122.8	5.3	114.5	T567 N569 S574 E655	T567-R572 PolarHBondContact O-NE 2.77Å; T567-R572 PolarHBondContact O-NH2 2.98Å; N569-R572 HydrophobicContact CB-CG 3.82Å; N569-R572 WeakPolarHBondContact O-CG 3.44Å; N569-R572 PolarHBondContact O-N 2.81Å; N569-R572 VanDerWaalsContact O-N 3.16Å; R572-S574 WeakPolarHBondContact CD-O 3.47Å; R572-S574 PolarHBondContact NE-O 2.89Å; R572-S574 WeakPolarHBondContact O-CB 3.43Å; R572-S574 PolarHBondContact O-N 2.9Å; R572-S574 PolarHBondContact O-OG 2.8Å; R572-E655 IonicContact CZ-OE1 3.37Å; R572-E655 IonicContact CZ-OE2 3.63Å; R572-E655 IonicContact NH1-OE1 3.67Å; R572-E655 PolarHBondContact NH1-OE1 3.16Å; R572-E655 IonicContact NH1-OE2 3.91Å; R572-E655 PolarHBondContact NH1-OE2 2.61Å; R572-E655 IonicContact NH2-OE1 3.18Å
573	K	84.8	Confident	82.4	Confident	98 Å²	98	65.8 Å²	65.8	43%	0.426	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.6	34.8	-176.2	-57.9	-172.2	-172.4	170.7	0	114.1	F568 N569 S570 G592 A593 I596	F568-K573 VanDerWaalsContact CE2-C 3.5Å; F568-K573 HydrophobicContact CE2-CB 4.47Å; N569-K573 PolarHBondContact O-N 2.94Å; S570-K573 VanDerWaalsContact O-CG 3.27Å; S570-K573 WeakPolarHBondContact O-CG 3.16Å; K573-G592 VanDerWaalsContact O-CA 3.24Å; K573-G592 WeakPolarHBondContact O-CA 3.39Å; K573-A593 HydrophobicContact CB-CB 4.08Å; K573-A593 HydrophobicContact CD-CB 4.41Å; K573-A593 PolarHBondContact O-N 3.11Å; K573-A593 VanDerWaalsContact O-N 3.08Å; K573-I596 HydrophobicContact CB-CD1 3.89Å; K573-I596 HydrophobicContact CD-CD1 3.8Å; K573-I596 HydrophobicContact CG-CD1 4.1Å
574	S	88.4	Confident	82.1	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.007	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	156.9	-172.3	48	0	0	0	0	111.7	R572 K591	R572-S574 WeakPolarHBondContact CD-O 3.47Å; R572-S574 PolarHBondContact NE-O 2.89Å; R572-S574 WeakPolarHBondContact O-CB 3.43Å; R572-S574 PolarHBondContact O-N 2.9Å; R572-S574 PolarHBondContact O-OG 2.8Å; S574-K591 CarbonylContact C-O 3.47Å; S574-K591 VanDerWaalsContact CA-O 3.26Å; S574-K591 WeakPolarHBondContact CA-O 3.29Å; S574-K591 WeakPolarHBondContact CB-O 3.41Å
575	M	89	Confident	82.2	Confident	17 Å²	17	60.2 Å²	60.2	8%	0.084	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	135.8	178.5	174.7	174.9	175.8	0	0	108.3	N511 V565 Y566 F568 K591	N511-M575 PolarHBondContact ND2-O 2.76Å; V565-M575 HydrophobicContact CG1-CE 4.18Å; Y566-M575 CarbonylContact O-C 3.42Å; Y566-M575 VanDerWaalsContact O-CA 3.28Å; Y566-M575 WeakPolarHBondContact O-CA 3.5Å; Y566-M575 WeakPolarHBondContact O-CG 3.29Å; F568-M575 HydrophobicContact CB-CB 4.45Å; M575-K591 HydrophobicContact CB-CG 4.44Å; M575-K591 PolarHBondContact N-O 3.39Å; M575-K591 PolarHBondContact O-N 2.72Å
576	S	91.8	Very high	82.6	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	145.5	-178.6	-45.8	0	0	0	0	111.7	N511 Y566 Y589 S590 L659	N511-S576 VanDerWaalsContact OD1-CA 3.3Å; N511-S576 WeakPolarHBondContact OD1-CA 3.34Å; Y566-S576 WeakPolarHBondContact CA-O 3.39Å; Y566-S576 WeakPolarHBondContact CB-O 3.26Å; Y566-S576 PolarHBondContact N-O 3.42Å; Y566-S576 PolarHBondContact O-N 2.93Å; S576-Y589 CarbonylContact C-O 3.58Å; S576-Y589 WeakPolarHBondContact CA-O 3.34Å; S576-Y589 WeakPolarHBondContact CB-O 3.46Å; S576-S590 WeakPolarHBondContact OG-CB 3.2Å; S576-S590 PolarHBondContact OG-OG 3.16Å; S576-L659 VanDerWaalsContact OG-CD2 3.26Å; S576-L659 WeakPolarHBondContact OG-CD2 3.42Å
577	T	91.4	Very high	83	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130	-175	-61.7	0	0	0	0	109.5	I510 N511 L562 V565 M588 Y589	I510-T577 HydrophobicContact CG2-CG2 3.9Å; N511-T577 WeakPolarHBondContact OD1-CB 3.45Å; N511-T577 PolarHBondContact OD1-N 2.99Å; N511-T577 VanDerWaalsContact OD1-N 3.09Å; N511-T577 PolarHBondContact OD1-OG1 3.19Å; L562-T577 HydrophobicContact CD1-CG2 4.17Å; L562-T577 HydrophobicContact CD2-CG2 3.85Å; L562-T577 HydrophobicContact CG-CG2 4.42Å; V565-T577 HydrophobicContact CG2-CG2 4.19Å; T577-M588 WeakPolarHBondContact O-CA 3.39Å; T577-Y589 PolarHBondContact N-O 3.31Å; T577-Y589 PolarHBondContact O-N 2.86Å
578	V	91.5	Very high	83.5	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.8	-176.8	-173.8	0	0	0	0	109.8	Y563 K564 Y566 F586 R587 M588 W652	Y563-V578 HydrophobicContact CD1-CG1 4.42Å; Y563-V578 PolarHBondContact N-O 3.4Å; K564-V578 HydrophobicContact CB-CB 4.23Å; K564-V578 HydrophobicContact CB-CG2 4.17Å; K564-V578 PolarHBondContact O-N 3.12Å; Y566-V578 HydrophobicContact CE2-CG2 3.98Å; V578-F586 HydrophobicContact CG1-CB 4.13Å; V578-F586 HydrophobicContact CG1-CD1 4.18Å; V578-R587 WeakPolarHBondContact CA-O 3.44Å; V578-M588 HydrophobicContact CG2-CB 4.19Å; V578-M588 HydrophobicContact CG2-CG 4.09Å; V578-W652 HydrophobicContact CB-CZ3 4.37Å; V578-W652 HydrophobicContact CG1-CH2 3.59Å; V578-W652 HydrophobicContact CG1-CZ2 4.17Å; V578-W652 HydrophobicContact CG1-CZ3 3.78Å; V578-W652 HydrophobicContact CG2-CE3 4.08Å; V578-W652 HydrophobicContact CG2-CH2 4.37Å; V578-W652 HydrophobicContact CG2-CZ3 3.69Å
579	I	91.8	Very high	84.4	Confident	19 Å²	19	50.3 Å²	50.3	10%	0.097	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	157.1	170.8	61.2	165	0	0	0	110.1	I510 V557 L562 F586 R587 Y589	I510-I579 HydrophobicContact CD1-CD1 4.23Å; I510-I579 HydrophobicContact CG2-CG2 3.77Å; V557-I579 HydrophobicContact CG1-CG2 4.03Å; L562-I579 HydrophobicContact CD2-CG2 3.95Å; I579-F586 CarbonylContact O-C 3.59Å; I579-F586 WeakPolarHBondContact O-CA 3.48Å; I579-R587 HydrophobicContact CD1-CB 4.5Å; I579-R587 HydrophobicContact CG1-CB 4.04Å; I579-R587 WeakPolarHBondContact CG1-O 3.32Å; I579-R587 PolarHBondContact N-O 2.95Å; I579-R587 PolarHBondContact O-N 3.22Å; I579-Y589 HydrophobicContact CD1-CE2 3.84Å; I579-Y589 HydrophobicContact CG1-CE2 4.31Å
580	R	87.9	Confident	85.4	Confident	182 Å²	182	47 Å²	47	69%	0.687	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.6	172.9	-165.6	177	-173.8	178	3.4	109.6	F586	R580-F586 HydrophobicContact CB-CD1 4.29Å; R580-F586 HydrophobicContact CB-CE1 4.46Å; R580-F586 HydrophobicContact CG-CD1 4.34Å; R580-F586 HydrophobicContact CG-CE1 4.29Å
581	N	83.8	Confident	86.8	Confident	25 Å²	25	43.4 Å²	43.4	13%	0.134	24%	0.239	C	C	.	.			trans	-78.2	141.3	-178.7	-72.8	-22.6	0	0	0	110.6	S583 G584 G585 R587	N581-S583 PolarHBondContact O-N 3.21Å; N581-G584 WeakPolarHBondContact CB-O 3.17Å; N581-G584 PolarHBondContact O-N 3.01Å; N581-G585 PolarHBondContact N-O 3.4Å; N581-R587 WeakPolarHBondContact OD1-CB 3.44Å
582	P	77.7	Confident	87.9	Confident	142 Å²	142	37.4 Å²	37.4	92%	0.922	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-26.9	177.5	-25.4	34.8	0	0	0	114.2	G584	P582-G584 VanDerWaalsContact C-N 3.26Å; P582-G584 PolarHBondContact O-N 2.89Å
583	S	71.6	Confident	88.4	Confident	112 Å²	112	36.3 Å²	36.3	78%	0.783	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	0.4	176.7	53.8	0	0	0	0	114.6	N581	N581-S583 PolarHBondContact O-N 3.21Å
584	G	79.1	Confident	88.8	Confident	39 Å²	39	31.6 Å²	31.6	40%	0.402	18%	0.183	S	C	.	.	S	Bend	trans	87.2	162.5	-162.2	0	0	0	0	0	112.3	N581 P582	N581-G584 WeakPolarHBondContact CB-O 3.17Å; N581-G584 PolarHBondContact O-N 3.01Å; P582-G584 VanDerWaalsContact C-N 3.26Å; P582-G584 PolarHBondContact O-N 2.89Å
585	G	86.9	Confident	88.7	Confident	17 Å²	17	34.5 Å²	34.5	18%	0.175	20%	0.197	C	C	.	.	S	Bend	trans	79	180	-169.5	0	0	0	0	0	113.9	N581 F645	N581-G585 PolarHBondContact N-O 3.4Å; G585-F645 CarbonylContact C-O 3.52Å; G585-F645 WeakPolarHBondContact CA-O 3.23Å
586	F	90.7	Very high	88.7	Confident	15 Å²	15	35.6 Å²	35.6	7%	0.066	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.5	178.4	-58.6	-95.4	0	0	0	110.7	Y563 V578 I579 R580 F645 E649 W652	Y563-F586 HydrophobicContact CD1-CD1 4.1Å; Y563-F586 AromaticContact CD1-CE1 3.66Å; Y563-F586 HydrophobicContact CD1-CE1 3.66Å; Y563-F586 HydrophobicContact CD2-CE1 4.08Å; Y563-F586 HydrophobicContact CE1-CD1 4.48Å; Y563-F586 AromaticContact CE1-CE1 3.66Å; Y563-F586 HydrophobicContact CE1-CE1 3.66Å; Y563-F586 HydrophobicContact CE1-CZ 4.14Å; Y563-F586 HydrophobicContact CE2-CE1 4.08Å; Y563-F586 HydrophobicContact CG-CD1 4.29Å; Y563-F586 AromaticContact CG-CE1 3.87Å; Y563-F586 HydrophobicContact CG-CE1 3.87Å; Y563-F586 AromaticContact CZ-CE1 3.87Å; V578-F586 HydrophobicContact CG1-CB 4.13Å; V578-F586 HydrophobicContact CG1-CD1 4.18Å; I579-F586 CarbonylContact O-C 3.59Å; I579-F586 WeakPolarHBondContact O-CA 3.48Å; R580-F586 HydrophobicContact CB-CD1 4.29Å; R580-F586 HydrophobicContact CB-CE1 4.46Å; R580-F586 HydrophobicContact CG-CD1 4.34Å; R580-F586 HydrophobicContact CG-CE1 4.29Å; F586-F645 HydrophobicContact CB-CB 4.36Å; F586-F645 PolarHBondContact N-O 2.68Å; F586-F645 PolarHBondContact O-N 3.32Å; F586-E649 HydrophobicContact CE2-CB 4.09Å; F586-E649 HydrophobicContact CE2-CG 3.84Å; F586-E649 HydrophobicContact CZ-CG 3.99Å; F586-W652 HydrophobicContact CB-CH2 4.01Å; F586-W652 HydrophobicContact CB-CZ2 4.2Å; F586-W652 HydrophobicContact CD1-CH2 4.48Å; F586-W652 AromaticContact CD1-CZ2 3.98Å; F586-W652 HydrophobicContact CD1-CZ2 3.98Å; F586-W652 HydrophobicContact CD2-CH2 4.48Å; F586-W652 AromaticContact CD2-CZ2 3.9Å; F586-W652 HydrophobicContact CD2-CZ2 3.9Å; F586-W652 HydrophobicContact CE1-CZ2 4.25Å; F586-W652 HydrophobicContact CE2-CZ2 4.19Å; F586-W652 HydrophobicContact CG-CH2 4.12Å; F586-W652 AromaticContact CG-CZ2 3.79Å; F586-W652 HydrophobicContact CG-CZ2 3.79Å; F586-W652 HydrophobicContact CZ-CZ2 4.34Å
587	R	91.9	Very high	88.7	Confident	49 Å²	49	35.6 Å²	35.6	19%	0.185	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.2	168.6	176.6	167.2	-72.5	172.8	-1.1	109.7	V578 I579 N581 Y589 D644	V578-R587 WeakPolarHBondContact CA-O 3.44Å; I579-R587 HydrophobicContact CD1-CB 4.5Å; I579-R587 HydrophobicContact CG1-CB 4.04Å; I579-R587 WeakPolarHBondContact CG1-O 3.32Å; I579-R587 PolarHBondContact N-O 2.95Å; I579-R587 PolarHBondContact O-N 3.22Å; N581-R587 WeakPolarHBondContact OD1-CB 3.44Å; R587-Y589 VanDerWaalsContact CD-OH 3.23Å; R587-Y589 WeakPolarHBondContact CD-OH 3.47Å; R587-Y589 HydrophobicContact CG-CD2 4.47Å; R587-Y589 HydrophobicContact CG-CE1 4.27Å; R587-Y589 HydrophobicContact CG-CE2 4.11Å; R587-D644 WeakPolarHBondContact CB-OD1 3.33Å; R587-D644 IonicContact CZ-OD1 2.76Å; R587-D644 IonicContact CZ-OD2 3.59Å; R587-D644 IonicContact NE-OD1 3.44Å; R587-D644 PolarHBondContact NE-OD1 3.03Å; R587-D644 IonicContact NE-OD2 2.7Å; R587-D644 IonicContact NH2-OD1 3.69Å; R587-D644 PolarHBondContact NH2-OD1 3.32Å; R587-D644 IonicContact NH2-OD2 3.29Å; R587-D644 PolarHBondContact NH2-OD2 3.48Å
588	M	92.6	Very high	88.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.4	168.6	-178.7	178.2	58.6	0	0	109.7	T577 V578 Y642 R643 F645 I658 L659 L662	T577-M588 WeakPolarHBondContact O-CA 3.39Å; V578-M588 HydrophobicContact CG2-CB 4.19Å; V578-M588 HydrophobicContact CG2-CG 4.09Å; M588-Y642 CarbonylContact O-C 3.48Å; M588-Y642 WeakPolarHBondContact O-CA 3.31Å; M588-Y642 WeakPolarHBondContact O-CB 3.38Å; M588-R643 HydrophobicContact CE-CB 4.32Å; M588-R643 PolarHBondContact N-O 2.95Å; M588-R643 PolarHBondContact O-N 3.17Å; M588-F645 HydrophobicContact CB-CE2 3.89Å; M588-F645 HydrophobicContact CE-CE2 4.25Å; M588-F645 HydrophobicContact CE-CZ 4.25Å; M588-I658 HydrophobicContact CE-CG2 3.88Å; M588-I658 WeakPolarHBondContact CE-O 3.12Å; M588-I658 HydrophobicContact SD-CG2 3.72Å; M588-L659 HydrophobicContact CE-CD2 4.02Å; M588-L659 HydrophobicContact SD-CD2 3.83Å; M588-L662 HydrophobicContact CE-CD2 3.72Å
589	Y	95.6	Very high	88.8	Confident	5 Å²	5	44.2 Å²	44.2	2%	0.02	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	141.7	164.3	-65.2	-70	0	0	0	109.5	N506 G507 I510 N511 S576 T577 I579 R587	N506-Y589 HydrophobicContact CB-CE1 4.45Å; N506-Y589 HydrophobicContact CB-CE2 4.37Å; N506-Y589 WeakPolarHBondContact CB-OH 3.44Å; G507-Y589 VanDerWaalsContact CA-CD1 3.44Å; I510-Y589 HydrophobicContact CB-CD2 4.36Å; I510-Y589 HydrophobicContact CD1-CD2 4.45Å; I510-Y589 HydrophobicContact CD1-CE2 3.87Å; I510-Y589 HydrophobicContact CG2-CD2 4.31Å; N511-Y589 PolarHBondContact ND2-O 3.48Å; S576-Y589 CarbonylContact C-O 3.58Å; S576-Y589 WeakPolarHBondContact CA-O 3.34Å; S576-Y589 WeakPolarHBondContact CB-O 3.46Å; T577-Y589 PolarHBondContact N-O 3.31Å; T577-Y589 PolarHBondContact O-N 2.86Å; I579-Y589 HydrophobicContact CD1-CE2 3.84Å; I579-Y589 HydrophobicContact CG1-CE2 4.31Å; R587-Y589 VanDerWaalsContact CD-OH 3.23Å; R587-Y589 WeakPolarHBondContact CD-OH 3.47Å; R587-Y589 HydrophobicContact CG-CD2 4.47Å; R587-Y589 HydrophobicContact CG-CE1 4.27Å; R587-Y589 HydrophobicContact CG-CE2 4.11Å
590	S	94.6	Very high	88.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.9	-178.3	-165.6	0	0	0	0	111.4	N511 S576 A641	N511-S590 VanDerWaalsContact ND2-C 3.35Å; N511-S590 WeakPolarHBondContact ND2-CA 3.17Å; S576-S590 WeakPolarHBondContact OG-CB 3.2Å; S576-S590 PolarHBondContact OG-OG 3.16Å; S590-A641 PolarHBondContact N-O 3.07Å; S590-A641 PolarHBondContact O-N 2.85Å
591	K	94.6	Very high	89	Confident	17 Å²	17	37.3 Å²	37.3	7%	0.074	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.5	175	77.5	-171.1	-175.8	-167.2	0	110.8	N511 S512 E536 L539 S574 M575 C639	N511-K591 PolarHBondContact ND2-N 2.81Å; N511-K591 VanDerWaalsContact ND2-N 3.2Å; N511-K591 WeakPolarHBondContact O-CD 3.44Å; N511-K591 WeakPolarHBondContact O-CE 3.36Å; N511-K591 PolarHBondContact O-NZ 3.15Å; S512-K591 PolarHBondContact OG-NZ 3.47Å; E536-K591 IonicContact OE1-NZ 3.13Å; E536-K591 PolarHBondContact OE1-NZ 3.43Å; L539-K591 HydrophobicContact CD1-CD 4.05Å; S574-K591 CarbonylContact C-O 3.47Å; S574-K591 VanDerWaalsContact CA-O 3.26Å; S574-K591 WeakPolarHBondContact CA-O 3.29Å; S574-K591 WeakPolarHBondContact CB-O 3.41Å; M575-K591 HydrophobicContact CB-CG 4.44Å; M575-K591 PolarHBondContact N-O 3.39Å; M575-K591 PolarHBondContact O-N 2.72Å; K591-C639 WeakPolarHBondContact CA-O 3.39Å
592	G	91.8	Very high	89.5	Confident	6 Å²	6	38.6 Å²	38.6	6%	0.062	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.5	-171.9	178.8	0	0	0	0	0	113.4	K573 S594 I638 C639	K573-G592 VanDerWaalsContact O-CA 3.24Å; K573-G592 WeakPolarHBondContact O-CA 3.39Å; G592-S594 PolarHBondContact O-N 3.02Å; G592-I638 WeakPolarHBondContact O-CA 3.41Å; G592-C639 PolarHBondContact N-O 3.21Å; G592-C639 PolarHBondContact O-N 3.05Å
593	A	89.3	Confident	90.3	Very high	17 Å²	17	37.6 Å²	37.6	14%	0.14	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	126.8	173.6	0	0	0	0	0	110.1	K573 E595 I596 I597	K573-A593 HydrophobicContact CB-CB 4.08Å; K573-A593 HydrophobicContact CD-CB 4.41Å; K573-A593 PolarHBondContact O-N 3.11Å; K573-A593 VanDerWaalsContact O-N 3.08Å; A593-E595 VanDerWaalsContact C-N 3.31Å; A593-E595 WeakPolarHBondContact CB-OE1 3.44Å; A593-E595 WeakPolarHBondContact CB-OE2 3.35Å; A593-E595 PolarHBondContact O-N 3.01Å; A593-I596 HydrophobicContact CB-CD1 4.35Å; A593-I596 PolarHBondContact O-N 3.26Å; A593-I597 PolarHBondContact O-N 3.02Å; A593-I597 VanDerWaalsContact O-N 3.13Å
594	S	91.9	Very high	91.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.1	-42	-165.5	62.2	0	0	0	0	113	G592 I596 I597 L598 I627 T637	G592-S594 PolarHBondContact O-N 3.02Å; S594-I596 PolarHBondContact O-N 2.92Å; S594-I597 PolarHBondContact O-N 3.34Å; S594-L598 VanDerWaalsContact O-CB 3.31Å; S594-L598 WeakPolarHBondContact O-CB 3.01Å; S594-L598 WeakPolarHBondContact O-CD1 3.35Å; S594-L598 WeakPolarHBondContact O-CG 3.39Å; S594-L598 PolarHBondContact O-N 2.92Å; S594-I627 WeakPolarHBondContact OG-CD1 3.47Å; S594-T637 PolarHBondContact N-O 3.09Å; S594-T637 VanDerWaalsContact OG-CB 3.31Å; S594-T637 WeakPolarHBondContact OG-CB 3.23Å; S594-T637 PolarHBondContact OG-OG1 3.38Å
595	E	86.6	Confident	92	Very high	62 Å²	62	31.8 Å²	31.8	29%	0.29	14%	0.144	S	C	.	.	H	α-helix	trans	-66.1	-20.5	-179.9	77.6	-68.1	172.4	0	0	114.1	A593 R599	A593-E595 VanDerWaalsContact C-N 3.31Å; A593-E595 WeakPolarHBondContact CB-OE1 3.44Å; A593-E595 WeakPolarHBondContact CB-OE2 3.35Å; A593-E595 PolarHBondContact O-N 3.01Å; E595-R599 VanDerWaalsContact O-CD 3.25Å; E595-R599 WeakPolarHBondContact O-CD 3.32Å; E595-R599 VanDerWaalsContact O-CG 3.28Å; E595-R599 WeakPolarHBondContact O-CG 3.21Å; E595-R599 PolarHBondContact O-NE 2.7Å
596	I	89.8	Confident	92.1	Very high	39 Å²	39	33 Å²	33	20%	0.2	15%	0.147	C	C	.	.	H	α-helix	trans	-92.7	-45.2	178.3	-71.1	169.8	0	0	0	111.1	K573 A593 S594 R599	K573-I596 HydrophobicContact CB-CD1 3.89Å; K573-I596 HydrophobicContact CD-CD1 3.8Å; K573-I596 HydrophobicContact CG-CD1 4.1Å; A593-I596 HydrophobicContact CB-CD1 4.35Å; A593-I596 PolarHBondContact O-N 3.26Å; S594-I596 PolarHBondContact O-N 2.92Å; I596-R599 PolarHBondContact O-N 3.41Å
597	I	92.6	Very high	91.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.7	-40.3	177.9	-63.8	-62.4	0	0	0	110.8	A593 S594 R599 K600 C601 C639 A641 L662	A593-I597 PolarHBondContact O-N 3.02Å; A593-I597 VanDerWaalsContact O-N 3.13Å; S594-I597 PolarHBondContact O-N 3.34Å; I597-R599 VanDerWaalsContact C-N 3.32Å; I597-R599 PolarHBondContact O-N 2.95Å; I597-K600 CarbonylContact O-C 3.57Å; I597-K600 WeakPolarHBondContact O-CA 3.41Å; I597-K600 WeakPolarHBondContact O-CB 3.43Å; I597-K600 PolarHBondContact O-N 3.18Å; I597-C601 PolarHBondContact O-N 3.46Å; I597-C601 PolarHBondContact O-SG 3.11Å; I597-C639 HydrophobicContact CB-CB 3.89Å; I597-C639 HydrophobicContact CG2-CB 3.92Å; I597-C639 VanDerWaalsContact CG2-SG 3.59Å; I597-A641 HydrophobicContact CG2-CB 3.83Å; I597-L662 HydrophobicContact CG2-CD1 4.21Å
598	L	92.2	Very high	91.4	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-31.1	-179	-69.1	169.3	0	0	0	113.4	S594 K600 C601 F614 R619 M622 I627 C639 C664 V667	S594-L598 VanDerWaalsContact O-CB 3.31Å; S594-L598 WeakPolarHBondContact O-CB 3.01Å; S594-L598 WeakPolarHBondContact O-CD1 3.35Å; S594-L598 WeakPolarHBondContact O-CG 3.39Å; S594-L598 PolarHBondContact O-N 2.92Å; L598-K600 PolarHBondContact O-N 3.38Å; L598-C601 PolarHBondContact O-N 2.73Å; L598-C601 VanDerWaalsContact O-N 3.14Å; L598-F614 HydrophobicContact CD2-CE1 3.78Å; L598-F614 HydrophobicContact CD2-CZ 4.16Å; L598-R619 WeakPolarHBondContact O-CD 3.47Å; L598-M622 HydrophobicContact CD1-CE 3.46Å; L598-M622 VanDerWaalsContact CD1-CE 3.46Å; L598-M622 HydrophobicContact CD2-CE 3.4Å; L598-M622 HydrophobicContact CG-CE 4.09Å; L598-I627 HydrophobicContact CD1-CD1 3.31Å; L598-C639 HydrophobicContact CG-CB 4.41Å; L598-C664 HydrophobicContact CD2-CB 4.08Å; L598-V667 HydrophobicContact CD1-CG2 4.2Å; L598-V667 HydrophobicContact CD2-CG2 4.44Å
599	R	91	Very high	90.9	Very high	181 Å²	181	45.4 Å²	45.4	68%	0.683	20%	0.198	S	C	*	.	H	α-helix	trans	-63	-31.7	170.8	-71.7	172.6	-175.8	-171.2	0.8	112.1	E595 I596 I597 R619	E595-R599 VanDerWaalsContact O-CD 3.25Å; E595-R599 WeakPolarHBondContact O-CD 3.32Å; E595-R599 VanDerWaalsContact O-CG 3.28Å; E595-R599 WeakPolarHBondContact O-CG 3.21Å; E595-R599 PolarHBondContact O-NE 2.7Å; I596-R599 PolarHBondContact O-N 3.41Å; I597-R599 VanDerWaalsContact C-N 3.32Å; I597-R599 PolarHBondContact O-N 2.95Å; R599-R619 PolarHBondContact O-NH1 2.97Å; R599-R619 VanDerWaalsContact O-NH1 3.16Å
600	K	91.6	Very high	90.6	Very high	55 Å²	55	50.2 Å²	50.2	24%	0.239	22%	0.22	C	C	.	.	H	α-helix	trans	-84.5	-9.5	175.5	-66.6	167.7	164.8	-69.8	0	113.6	I597 L598 L659 T660 E661 L662	I597-K600 CarbonylContact O-C 3.57Å; I597-K600 WeakPolarHBondContact O-CA 3.41Å; I597-K600 WeakPolarHBondContact O-CB 3.43Å; I597-K600 PolarHBondContact O-N 3.18Å; L598-K600 PolarHBondContact O-N 3.38Å; K600-L659 HydrophobicContact CD-CB 4.48Å; K600-L659 WeakPolarHBondContact CD-O 3.31Å; K600-L659 VanDerWaalsContact CG-O 3.29Å; K600-L659 WeakPolarHBondContact CG-O 3.42Å; K600-L659 PolarHBondContact NZ-O 3.46Å; K600-T660 CarbonylContact O-C 3.49Å; K600-E661 PolarHBondContact O-N 2.74Å; K600-E661 VanDerWaalsContact O-N 3.13Å; K600-L662 HydrophobicContact CB-CD1 3.95Å; K600-L662 HydrophobicContact CB-CG 4.34Å; K600-L662 PolarHBondContact O-N 2.99Å
601	C	93.8	Very high	90.4	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.007	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.7	178.1	-64.8	0	0	0	0	111.6	I597 L598 F614 R619 L662 C664	I597-C601 PolarHBondContact O-N 3.46Å; I597-C601 PolarHBondContact O-SG 3.11Å; L598-C601 PolarHBondContact O-N 2.73Å; L598-C601 VanDerWaalsContact O-N 3.14Å; C601-F614 HydrophobicContact CB-CD1 4.02Å; C601-F614 HydrophobicContact CB-CE1 4.28Å; C601-R619 PolarHBondContact O-NE 3.29Å; C601-R619 PolarHBondContact O-NH1 3.46Å; C601-R619 PolarHBondContact O-NH2 3.4Å; C601-R619 VanDerWaalsContact O-NH2 3.12Å; C601-L662 CarbonylContact C-O 3.58Å; C601-L662 WeakPolarHBondContact CA-O 3.46Å; C601-L662 HydrophobicContact CB-CB 4.43Å; C601-L662 WeakPolarHBondContact CB-O 3.44Å; C601-C664 HydrophobicContact CB-CB 4.29Å
602	N	94.3	Very high	90.3	Very high	52 Å²	52	52.9 Å²	52.9	28%	0.278	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-8.8	171	70.3	-6.4	0	0	0	113.2	F614 E661 L662	N602-F614 PolarHBondContact O-N 2.87Å; N602-E661 WeakPolarHBondContact ND2-CB 3.48Å; N602-E661 WeakPolarHBondContact ND2-CG 3.47Å; N602-E661 PolarHBondContact ND2-OE1 3.3Å; N602-E661 PolarHBondContact OD1-O 2.82Å; N602-L662 PolarHBondContact N-O 2.93Å; N602-L662 PolarHBondContact OD1-O 2.98Å
603	R	94.7	Very high	90.4	Very high	122 Å²	122	57.2 Å²	57.2	46%	0.46	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	162.8	177.8	-63.2	172	86.3	159.8	3	111.3	A611 V612 L662 T663 C664	R603-A611 HydrophobicContact CB-CB 4.4Å; R603-A611 VanDerWaalsContact CZ-O 3.29Å; R603-A611 PolarHBondContact NE-O 3.28Å; R603-A611 PolarHBondContact NH2-O 2.87Å; R603-V612 CarbonylContact C-O 3.58Å; R603-V612 WeakPolarHBondContact CA-O 3.26Å; R603-V612 WeakPolarHBondContact CB-O 3.47Å; R603-L662 PolarHBondContact N-O 3.41Å; R603-T663 HydrophobicContact CB-CG2 4.04Å; R603-T663 WeakPolarHBondContact O-CA 3.47Å; R603-C664 PolarHBondContact O-N 3.29Å
604	I	94.4	Very high	90.5	Very high	24 Å²	24	56.9 Å²	56.9	12%	0.123	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148.5	174.8	-171.7	164.3	0	0	0	109.6	Y481 A611 V612 F614 M622 C664	Y481-I604 HydrophobicContact CE1-CD1 4.34Å; I604-A611 CarbonylContact O-C 3.59Å; I604-A611 WeakPolarHBondContact O-CA 3.4Å; I604-V612 HydrophobicContact CG2-CG2 3.7Å; I604-V612 PolarHBondContact N-O 3.36Å; I604-V612 WeakPolarHBondContact O-CG2 3.42Å; I604-V612 PolarHBondContact O-N 3.1Å; I604-F614 HydrophobicContact CB-CB 4.18Å; I604-F614 HydrophobicContact CB-CD1 4.36Å; I604-F614 HydrophobicContact CB-CD2 4.11Å; I604-F614 HydrophobicContact CB-CG 4Å; I604-F614 HydrophobicContact CD1-CD2 4.39Å; I604-F614 HydrophobicContact CD1-CE2 4.06Å; I604-F614 HydrophobicContact CD1-CZ 4.22Å; I604-F614 HydrophobicContact CG2-CB 3.99Å; I604-F614 HydrophobicContact CG2-CD2 3.8Å; I604-F614 HydrophobicContact CG2-CE2 4.5Å; I604-F614 HydrophobicContact CG2-CG 4Å; I604-M622 HydrophobicContact CD1-CE 4.42Å; I604-M622 HydrophobicContact CD1-SD 3.96Å; I604-C664 WeakPolarHBondContact CA-O 3.34Å; I604-C664 HydrophobicContact CB-CB 4.24Å; I604-C664 HydrophobicContact CD1-CB 4.39Å; I604-C664 HydrophobicContact CG1-CB 3.98Å
605	L	92.2	Very high	90.5	Very high	4 Å²	4	65.4 Å²	65.4	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.8	173.5	-64.5	-177.8	0	0	0	111.5	L503 A611 Y642 T663 C664 I665	L503-L605 HydrophobicContact CD1-CD1 3.86Å; L605-A611 HydrophobicContact CD2-CB 4.2Å; L605-Y642 HydrophobicContact CD2-CE1 4.31Å; L605-T663 HydrophobicContact CD2-CG2 4.01Å; L605-T663 HydrophobicContact CG-CG2 4.23Å; L605-C664 PolarHBondContact N-O 3.09Å; L605-I665 HydrophobicContact CD1-CB 4.28Å; L605-I665 HydrophobicContact CD1-CG1 4.16Å; L605-I665 HydrophobicContact CD1-CG2 4.05Å
606	D	88.1	Confident	90.5	Very high	43 Å²	43	67.5 Å²	67.5	23%	0.23	31%	0.307	C	S	.	.			trans	-79.5	-179.5	172.4	92.5	-36.7	0	0	0	112.3	K608 G609 E610 V612	D606-K608 VanDerWaalsContact CG-N 3.3Å; D606-K608 PolarHBondContact O-N 3.37Å; D606-K608 WeakPolarHBondContact OD1-CA 3.41Å; D606-K608 WeakPolarHBondContact OD1-CB 3.5Å; D606-K608 PolarHBondContact OD1-N 2.82Å; D606-K608 PolarHBondContact OD2-N 3.16Å; D606-G609 PolarHBondContact O-N 3.29Å; D606-G609 PolarHBondContact OD1-N 2.93Å; D606-E610 PolarHBondContact N-O 2.75Å; D606-E610 PolarHBondContact OD1-N 3.07Å; D606-V612 HydrophobicContact CB-CG1 4.09Å; D606-V612 HydrophobicContact CB-CG2 4.35Å
607	R	83.6	Confident	90.5	Very high	171 Å²	171	72.6 Å²	72.6	65%	0.645	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.7	177.8	-164.1	171.7	176.4	-173.8	-0.3	114	G483 L497	G483-R607 WeakPolarHBondContact O-CB 3.4Å; L497-R607 WeakPolarHBondContact CD1-O 3.3Å
608	K	83.5	Confident	90.4	Very high	152 Å²	152	75.5 Å²	75.5	66%	0.661	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-6.4	174.8	-57.5	175.4	-178.3	177.4	0	112.4	D606	D606-K608 VanDerWaalsContact CG-N 3.3Å; D606-K608 PolarHBondContact O-N 3.37Å; D606-K608 WeakPolarHBondContact OD1-CA 3.41Å; D606-K608 WeakPolarHBondContact OD1-CB 3.5Å; D606-K608 PolarHBondContact OD1-N 2.82Å; D606-K608 PolarHBondContact OD2-N 3.16Å
609	G	82.4	Confident	90.2	Very high	1 Å²	1	77.4 Å²	77.4	1%	0.01	35%	0.351	C	S	.	.	S	Bend	trans	80.8	24	-175.4	0	0	0	0	0	113.8	K499 V500 D606	K499-G609 PolarHBondContact NZ-O 3.24Å; V500-G609 VanDerWaalsContact CG2-CA 3.43Å; D606-G609 PolarHBondContact O-N 3.29Å; D606-G609 PolarHBondContact OD1-N 2.93Å
610	E	89.2	Confident	90.1	Very high	106 Å²	106	73.2 Å²	73.2	50%	0.495	34%	0.342	S	S	.	.			trans	-103.4	142.4	174	-63.3	-50.9	144.6	0	0	112.3	K499 D606 V612	K499-E610 IonicContact NZ-OE1 3.45Å; K499-E610 PolarHBondContact NZ-OE1 3.36Å; K499-E610 IonicContact NZ-OE2 2.64Å; K499-E610 PolarHBondContact NZ-OE2 3.03Å; K499-E610 VanDerWaalsContact NZ-OE2 3.13Å; D606-E610 PolarHBondContact N-O 2.75Å; D606-E610 PolarHBondContact OD1-N 3.07Å; E610-V612 PolarHBondContact O-N 3.08Å; E610-V612 VanDerWaalsContact O-N 3.15Å
611	A	90.9	Very high	90.1	Very high	15 Å²	15	72.9 Å²	72.9	12%	0.124	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	89.2	-172.8	0	0	0	0	0	111.6	R603 I604 L605 T663	R603-A611 HydrophobicContact CB-CB 4.4Å; R603-A611 VanDerWaalsContact CZ-O 3.29Å; R603-A611 PolarHBondContact NE-O 3.28Å; R603-A611 PolarHBondContact NH2-O 2.87Å; I604-A611 CarbonylContact O-C 3.59Å; I604-A611 WeakPolarHBondContact O-CA 3.4Å; L605-A611 HydrophobicContact CD2-CB 4.2Å; A611-T663 HydrophobicContact CB-CG2 3.8Å
612	V	93.1	Very high	89.9	Confident	58 Å²	58	73.1 Å²	73.1	35%	0.352	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	153.9	179.5	-62.5	0	0	0	0	112.1	R603 I604 D606 E610	R603-V612 CarbonylContact C-O 3.58Å; R603-V612 WeakPolarHBondContact CA-O 3.26Å; R603-V612 WeakPolarHBondContact CB-O 3.47Å; I604-V612 HydrophobicContact CG2-CG2 3.7Å; I604-V612 PolarHBondContact N-O 3.36Å; I604-V612 WeakPolarHBondContact O-CG2 3.42Å; I604-V612 PolarHBondContact O-N 3.1Å; D606-V612 HydrophobicContact CB-CG1 4.09Å; D606-V612 HydrophobicContact CB-CG2 4.35Å; E610-V612 PolarHBondContact O-N 3.08Å; E610-V612 VanDerWaalsContact O-N 3.15Å
613	P	92.9	Very high	89.7	Confident	98 Å²	98	72 Å²	72	64%	0.636	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	137.4	177	-21.3	33.4	0	0	0	112.1
614	F	91.9	Very high	89.5	Confident	9 Å²	9	72.4 Å²	72.4	4%	0.039	34%	0.339	C	S	.	.			trans	-123	96.3	-174.6	-172.7	-136.5	0	0	0	109.9	L598 C601 N602 I604 D618 R619 M622	L598-F614 HydrophobicContact CD2-CE1 3.78Å; L598-F614 HydrophobicContact CD2-CZ 4.16Å; C601-F614 HydrophobicContact CB-CD1 4.02Å; C601-F614 HydrophobicContact CB-CE1 4.28Å; N602-F614 PolarHBondContact O-N 2.87Å; I604-F614 HydrophobicContact CB-CB 4.18Å; I604-F614 HydrophobicContact CB-CD1 4.36Å; I604-F614 HydrophobicContact CB-CD2 4.11Å; I604-F614 HydrophobicContact CB-CG 4Å; I604-F614 HydrophobicContact CD1-CD2 4.39Å; I604-F614 HydrophobicContact CD1-CE2 4.06Å; I604-F614 HydrophobicContact CD1-CZ 4.22Å; I604-F614 HydrophobicContact CG2-CB 3.99Å; I604-F614 HydrophobicContact CG2-CD2 3.8Å; I604-F614 HydrophobicContact CG2-CE2 4.5Å; I604-F614 HydrophobicContact CG2-CG 4Å; F614-D618 HydrophobicContact CD2-CB 3.65Å; F614-D618 HydrophobicContact CE2-CB 3.79Å; F614-R619 HydrophobicContact CD1-CG 3.75Å; F614-R619 HydrophobicContact CD2-CG 4.46Å; F614-R619 HydrophobicContact CE1-CB 4.36Å; F614-R619 HydrophobicContact CE1-CG 3.41Å; F614-R619 VanDerWaalsContact CE1-CG 3.41Å; F614-R619 HydrophobicContact CE2-CG 4.15Å; F614-R619 HydrophobicContact CG-CG 4.26Å; F614-R619 HydrophobicContact CZ-CB 4.18Å; F614-R619 HydrophobicContact CZ-CG 3.62Å; F614-R619 PolarHBondContact O-NE 3.42Å; F614-R619 VanDerWaalsContact O-NE 3.1Å; F614-R619 PolarHBondContact O-NH2 3.13Å; F614-M622 HydrophobicContact CZ-CE 3.85Å; F614-M622 HydrophobicContact CZ-SD 4.29Å
615	R	91.4	Very high	89.3	Confident	180 Å²	180	75.1 Å²	75.1	68%	0.679	36%	0.357	S	S	*	.			trans	-80	166.2	-172.3	-52.4	174.8	178.4	-168.2	-1.3	110.8	K617 D618 R619	R615-K617 VanDerWaalsContact C-N 3.31Å; R615-K617 PolarHBondContact O-N 3.25Å; R615-D618 WeakPolarHBondContact CA-OD2 3.49Å; R615-D618 WeakPolarHBondContact CB-OD2 3.46Å; R615-D618 WeakPolarHBondContact CG-OD2 3.46Å; R615-D618 PolarHBondContact N-OD2 2.89Å; R615-D618 WeakPolarHBondContact O-CB 3.23Å; R615-D618 PolarHBondContact O-N 2.86Å; R615-R619 WeakPolarHBondContact O-CG 3.5Å; R615-R619 PolarHBondContact O-N 3.08Å; R615-R619 VanDerWaalsContact O-N 3.08Å
616	N	88	Confident	89.2	Confident	106 Å²	106	75.2 Å²	75.2	57%	0.567	36%	0.358	S	S	*	.	H	α-helix	trans	-57.7	-43.7	-179.9	-64.6	2.4	0	0	0	112	D618 R619 D620	N616-D618 VanDerWaalsContact C-N 3.3Å; N616-D618 PolarHBondContact O-N 3.31Å; N616-R619 WeakPolarHBondContact O-CB 3.42Å; N616-R619 PolarHBondContact O-N 2.9Å; N616-R619 VanDerWaalsContact O-N 3.12Å; N616-D620 VanDerWaalsContact O-CG 3.26Å; N616-D620 PolarHBondContact O-N 3.46Å
617	K	89.8	Confident	89.3	Confident	146 Å²	146	73.7 Å²	73.7	64%	0.635	35%	0.349	S	S	*	.	H	α-helix	trans	-56.2	-44	174.6	-173.5	-177.3	175.6	-172.1	0	112.2	R615 R619 D620 D621	R615-K617 VanDerWaalsContact C-N 3.31Å; R615-K617 PolarHBondContact O-N 3.25Å; K617-R619 VanDerWaalsContact C-N 3.28Å; K617-R619 PolarHBondContact O-N 3.49Å; K617-D620 PolarHBondContact O-N 3.23Å; K617-D621 WeakPolarHBondContact CE-OD2 3.15Å; K617-D621 WeakPolarHBondContact O-CB 3.39Å; K617-D621 PolarHBondContact O-N 3.33Å
618	D	89.1	Confident	89.6	Confident	60 Å²	60	70.4 Å²	70.4	32%	0.321	34%	0.341	S	S	.	.	H	α-helix	trans	-65.9	-33.9	-178.5	-42.1	-31	0	0	0	111.1	F614 R615 N616 M622	F614-D618 HydrophobicContact CD2-CB 3.65Å; F614-D618 HydrophobicContact CE2-CB 3.79Å; R615-D618 WeakPolarHBondContact CA-OD2 3.49Å; R615-D618 WeakPolarHBondContact CB-OD2 3.46Å; R615-D618 WeakPolarHBondContact CG-OD2 3.46Å; R615-D618 PolarHBondContact N-OD2 2.89Å; R615-D618 WeakPolarHBondContact O-CB 3.23Å; R615-D618 PolarHBondContact O-N 2.86Å; N616-D618 VanDerWaalsContact C-N 3.3Å; N616-D618 PolarHBondContact O-N 3.31Å; D618-M622 WeakPolarHBondContact O-CB 3.45Å; D618-M622 PolarHBondContact O-N 3.24Å
619	R	89.6	Confident	89.9	Confident	41 Å²	41	65.5 Å²	65.5	16%	0.155	33%	0.325	C	S	.	.	H	α-helix	trans	-66.2	-49.5	172.3	-61.1	164.5	-151.5	-170.7	9.9	111.2	L598 R599 C601 F614 R615 N616 K617 M622 I623	L598-R619 WeakPolarHBondContact O-CD 3.47Å; R599-R619 PolarHBondContact O-NH1 2.97Å; R599-R619 VanDerWaalsContact O-NH1 3.16Å; C601-R619 PolarHBondContact O-NE 3.29Å; C601-R619 PolarHBondContact O-NH1 3.46Å; C601-R619 PolarHBondContact O-NH2 3.4Å; C601-R619 VanDerWaalsContact O-NH2 3.12Å; F614-R619 HydrophobicContact CD1-CG 3.75Å; F614-R619 HydrophobicContact CD2-CG 4.46Å; F614-R619 HydrophobicContact CE1-CB 4.36Å; F614-R619 HydrophobicContact CE1-CG 3.41Å; F614-R619 VanDerWaalsContact CE1-CG 3.41Å; F614-R619 HydrophobicContact CE2-CG 4.15Å; F614-R619 HydrophobicContact CG-CG 4.26Å; F614-R619 HydrophobicContact CZ-CB 4.18Å; F614-R619 HydrophobicContact CZ-CG 3.62Å; F614-R619 PolarHBondContact O-NE 3.42Å; F614-R619 VanDerWaalsContact O-NE 3.1Å; F614-R619 PolarHBondContact O-NH2 3.13Å; R615-R619 WeakPolarHBondContact O-CG 3.5Å; R615-R619 PolarHBondContact O-N 3.08Å; R615-R619 VanDerWaalsContact O-N 3.08Å; N616-R619 WeakPolarHBondContact O-CB 3.42Å; N616-R619 PolarHBondContact O-N 2.9Å; N616-R619 VanDerWaalsContact O-N 3.12Å; K617-R619 VanDerWaalsContact C-N 3.28Å; K617-R619 PolarHBondContact O-N 3.49Å; R619-M622 PolarHBondContact O-N 3.44Å; R619-I623 VanDerWaalsContact O-CG1 3.31Å; R619-I623 WeakPolarHBondContact O-CG1 3.25Å; R619-I623 PolarHBondContact O-N 3.26Å
620	D	88.9	Confident	90.2	Very high	94 Å²	94	65.5 Å²	65.5	50%	0.503	33%	0.325	S	S	.	.	H	α-helix	trans	-68.2	-37.9	-177	-61.1	-31.3	0	0	0	111.7	N616 K617 I623 R624	N616-D620 VanDerWaalsContact O-CG 3.26Å; N616-D620 PolarHBondContact O-N 3.46Å; K617-D620 PolarHBondContact O-N 3.23Å; D620-I623 PolarHBondContact O-N 2.8Å; D620-R624 WeakPolarHBondContact O-CB 3.41Å; D620-R624 PolarHBondContact O-N 2.93Å
621	D	89.8	Confident	89.8	Confident	47 Å²	47	62.3 Å²	62.3	25%	0.251	32%	0.317	S	S	.	.	H	α-helix	trans	-65.2	-41.2	172	-77.7	-24.2	0	0	0	111.4	K617 R624 T625	K617-D621 WeakPolarHBondContact CE-OD2 3.15Å; K617-D621 WeakPolarHBondContact O-CB 3.39Å; K617-D621 PolarHBondContact O-N 3.33Å; D621-R624 PolarHBondContact O-N 2.91Å; D621-R624 IonicContact OD1-CZ 3.22Å; D621-R624 IonicContact OD1-NH1 2.82Å; D621-R624 PolarHBondContact OD1-NH1 3.19Å; D621-R624 IonicContact OD1-NH2 2.8Å; D621-R624 PolarHBondContact OD1-NH2 3.19Å; D621-T625 VanDerWaalsContact O-CB 3.32Å; D621-T625 WeakPolarHBondContact O-CB 3.13Å; D621-T625 WeakPolarHBondContact O-CG2 3.26Å; D621-T625 PolarHBondContact O-N 2.76Å; D621-T625 PolarHBondContact O-OG1 3.44Å
622	M	89.9	Confident	89.4	Confident	7 Å²	7	65.4 Å²	65.4	3%	0.034	34%	0.336	C	S	.	.	H	α-helix	trans	-70	-33.3	175.6	-164.5	172.8	83	0	0	113	Y481 L598 I604 F614 D618 R619 V626 I627 V667	Y481-M622 HydrophobicContact CD1-SD 3.72Å; Y481-M622 HydrophobicContact CE1-CG 4.23Å; Y481-M622 HydrophobicContact CE1-SD 3.25Å; Y481-M622 WeakPolarHBondContact CE1-SD 3.45Å; L598-M622 HydrophobicContact CD1-CE 3.46Å; L598-M622 VanDerWaalsContact CD1-CE 3.46Å; L598-M622 HydrophobicContact CD2-CE 3.4Å; L598-M622 HydrophobicContact CG-CE 4.09Å; I604-M622 HydrophobicContact CD1-CE 4.42Å; I604-M622 HydrophobicContact CD1-SD 3.96Å; F614-M622 HydrophobicContact CZ-CE 3.85Å; F614-M622 HydrophobicContact CZ-SD 4.29Å; D618-M622 WeakPolarHBondContact O-CB 3.45Å; D618-M622 PolarHBondContact O-N 3.24Å; R619-M622 PolarHBondContact O-N 3.44Å; M622-V626 HydrophobicContact CG-CB 4.28Å; M622-V626 HydrophobicContact CG-CG2 4.01Å; M622-V626 WeakPolarHBondContact O-CB 3.32Å; M622-V626 PolarHBondContact O-N 3.3Å; M622-I627 PolarHBondContact O-N 3.18Å; M622-V667 HydrophobicContact CE-CG2 3.89Å
623	I	90.3	Very high	88.9	Confident	29 Å²	29	66.1 Å²	66.1	15%	0.149	34%	0.338	C	S	.	.	I	π-helix	trans	-60.4	-52.1	171.8	-72.6	164.8	0	0	0	109.6	R619 D620 I627 E628	R619-I623 VanDerWaalsContact O-CG1 3.31Å; R619-I623 WeakPolarHBondContact O-CG1 3.25Å; R619-I623 PolarHBondContact O-N 3.26Å; D620-I623 PolarHBondContact O-N 2.8Å; I623-I627 HydrophobicContact CG1-CD1 4.08Å; I623-I627 PolarHBondContact O-N 2.77Å; I623-I627 VanDerWaalsContact O-N 3.14Å; I623-E628 HydrophobicContact CG2-CG 4.39Å; I623-E628 PolarHBondContact O-N 2.88Å
624	R	89.8	Confident	88.2	Confident	130 Å²	130	62 Å²	62	49%	0.491	31%	0.313	S	S	.	.	I	π-helix	trans	-69.1	-34	-177.3	-167	178.7	69.9	-98	-0.9	114.5	D620 D621 P629	D620-R624 WeakPolarHBondContact O-CB 3.41Å; D620-R624 PolarHBondContact O-N 2.93Å; D621-R624 PolarHBondContact O-N 2.91Å; D621-R624 IonicContact OD1-CZ 3.22Å; D621-R624 IonicContact OD1-NH1 2.82Å; D621-R624 PolarHBondContact OD1-NH1 3.19Å; D621-R624 IonicContact OD1-NH2 2.8Å; D621-R624 PolarHBondContact OD1-NH2 3.19Å; R624-P629 WeakPolarHBondContact O-CD 3.45Å
625	T	90.7	Very high	88	Confident	81 Å²	81	62 Å²	62	50%	0.497	31%	0.314	S	S	.	.	I	π-helix	trans	-97.1	-17.2	-173.7	58.8	0	0	0	0	114.8	D621	D621-T625 VanDerWaalsContact O-CB 3.32Å; D621-T625 WeakPolarHBondContact O-CB 3.13Å; D621-T625 WeakPolarHBondContact O-CG2 3.26Å; D621-T625 PolarHBondContact O-N 2.76Å; D621-T625 PolarHBondContact O-OG1 3.44Å
626	V	90.9	Very high	87.8	Confident	6 Å²	6	60 Å²	60	4%	0.036	31%	0.306	C	S	.	.	I	π-helix	trans	-125	-54	-177.7	-173.7	0	0	0	0	111.6	Y481 M622 M630	Y481-V626 HydrophobicContact CD2-CG1 3.99Å; Y481-V626 HydrophobicContact CD2-CG2 3.74Å; Y481-V626 HydrophobicContact CE2-CG2 3.83Å; Y481-V626 HydrophobicContact CG-CG1 4.07Å; Y481-V626 HydrophobicContact CG-CG2 4.4Å; M622-V626 HydrophobicContact CG-CB 4.28Å; M622-V626 HydrophobicContact CG-CG2 4.01Å; M622-V626 WeakPolarHBondContact O-CB 3.32Å; M622-V626 PolarHBondContact O-N 3.3Å; V626-M630 HydrophobicContact CG1-CE 3.68Å; V626-M630 HydrophobicContact CG1-SD 4.2Å; V626-M630 WeakPolarHBondContact O-CB 3.08Å; V626-M630 VanDerWaalsContact O-CG 3.26Å; V626-M630 WeakPolarHBondContact O-CG 3.32Å; V626-M630 PolarHBondContact O-N 2.9Å
627	I	90.4	Very high	87.9	Confident	11 Å²	11	55.9 Å²	55.9	6%	0.056	29%	0.285	C	S	.	.	I	π-helix	trans	-75.3	-42.2	-170.9	-69.5	162	0	0	0	112.2	S594 L598 M622 I623 M630 A631 T637 V667	S594-I627 WeakPolarHBondContact OG-CD1 3.47Å; L598-I627 HydrophobicContact CD1-CD1 3.31Å; M622-I627 PolarHBondContact O-N 3.18Å; I623-I627 HydrophobicContact CG1-CD1 4.08Å; I623-I627 PolarHBondContact O-N 2.77Å; I623-I627 VanDerWaalsContact O-N 3.14Å; I627-M630 PolarHBondContact O-N 3.43Å; I627-A631 WeakPolarHBondContact O-CB 3.32Å; I627-A631 PolarHBondContact O-N 3.43Å; I627-T637 HydrophobicContact CG2-CG2 4.2Å; I627-V667 HydrophobicContact CD1-CG1 4.41Å; I627-V667 HydrophobicContact CG1-CG1 4.11Å
628	E	88.4	Confident	88.1	Confident	102 Å²	102	49.7 Å²	49.7	48%	0.477	26%	0.259	S	S	.	.	H	α-helix	trans	-61.8	-49	175.3	-76.1	175.5	-178.2	0	0	111.6	I623 M630 A631 C632	I623-E628 HydrophobicContact CG2-CG 4.39Å; I623-E628 PolarHBondContact O-N 2.88Å; E628-M630 PolarHBondContact O-N 3.41Å; E628-A631 PolarHBondContact O-N 3.27Å; E628-C632 PolarHBondContact O-N 2.75Å; E628-C632 PolarHBondContact O-SG 3.16Å; E628-C632 VanDerWaalsContact O-SG 3.41Å
629	P	89.7	Confident	88.4	Confident	49 Å²	49	46.9 Å²	46.9	32%	0.318	24%	0.243	S	C	.	.	H	α-helix	trans	-55.9	-46	170.3	-30.3	37.5	0	0	0	114.3	R624 A631 C632 D633	R624-P629 WeakPolarHBondContact O-CD 3.45Å; P629-A631 VanDerWaalsContact C-N 3.31Å; P629-A631 PolarHBondContact O-N 2.96Å; P629-C632 PolarHBondContact O-N 3.5Å; P629-D633 PolarHBondContact O-N 2.9Å
630	M	88.9	Confident	88.8	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.6	-41.8	175.2	-76.8	-177.5	-178.5	0	0	111.8	Q479 H486 V626 I627 E628 D633 G634 L635 T637	Q479-M630 HydrophobicContact CB-CE 3.94Å; H486-M630 WeakPolarHBondContact NE2-CE 3.32Å; V626-M630 HydrophobicContact CG1-CE 3.68Å; V626-M630 HydrophobicContact CG1-SD 4.2Å; V626-M630 WeakPolarHBondContact O-CB 3.08Å; V626-M630 VanDerWaalsContact O-CG 3.26Å; V626-M630 WeakPolarHBondContact O-CG 3.32Å; V626-M630 PolarHBondContact O-N 2.9Å; I627-M630 PolarHBondContact O-N 3.43Å; E628-M630 PolarHBondContact O-N 3.41Å; M630-D633 PolarHBondContact O-N 3.02Å; M630-G634 PolarHBondContact O-N 3.17Å; M630-L635 HydrophobicContact CB-CB 4.31Å; M630-L635 HydrophobicContact CB-CD1 4.01Å; M630-L635 HydrophobicContact CG-CD1 4.02Å; M630-L635 WeakPolarHBondContact O-CB 3.26Å; M630-L635 VanDerWaalsContact O-CG 3.27Å; M630-L635 WeakPolarHBondContact O-CG 3.43Å; M630-L635 PolarHBondContact O-N 2.62Å; M630-T637 HydrophobicContact CB-CG2 3.49Å; M630-T637 VanDerWaalsContact CB-CG2 3.49Å; M630-T637 HydrophobicContact CG-CG2 4.29Å; M630-T637 HydrophobicContact SD-CG2 3.82Å
631	A	82	Confident	89.1	Confident	40 Å²	40	40.5 Å²	40.5	33%	0.331	21%	0.212	S	C	.	.	H	α-helix	trans	-71.1	-29.6	177.8	0	0	0	0	0	113	I627 E628 P629 G634	I627-A631 WeakPolarHBondContact O-CB 3.32Å; I627-A631 PolarHBondContact O-N 3.43Å; E628-A631 PolarHBondContact O-N 3.27Å; P629-A631 VanDerWaalsContact C-N 3.31Å; P629-A631 PolarHBondContact O-N 2.96Å; A631-G634 WeakPolarHBondContact O-CA 3.4Å; A631-G634 PolarHBondContact O-N 3.36Å
632	C	81.2	Confident	89.4	Confident	79 Å²	79	39.4 Å²	39.4	53%	0.534	21%	0.205	S	C	.	.	H	α-helix	trans	-70.4	-36.9	171.6	-75.3	0	0	0	0	112.7	E628 P629 G634	E628-C632 PolarHBondContact O-N 2.75Å; E628-C632 PolarHBondContact O-SG 3.16Å; E628-C632 VanDerWaalsContact O-SG 3.41Å; P629-C632 PolarHBondContact O-N 3.5Å; C632-G634 PolarHBondContact O-N 2.87Å
633	D	83.4	Confident	89.5	Confident	73 Å²	73	40.9 Å²	40.9	39%	0.39	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-8.8	168.1	-77.7	-11.6	0	0	0	112.4	Q479 P629 M630 L635 A705	Q479-D633 PolarHBondContact NE2-OD2 3.35Å; P629-D633 PolarHBondContact O-N 2.9Å; M630-D633 PolarHBondContact O-N 3.02Å; D633-L635 HydrophobicContact CB-CD1 4.23Å; D633-L635 HydrophobicContact CB-CG 3.99Å; D633-A705 WeakPolarHBondContact O-CB 3.39Å
634	G	79.1	Confident	89.5	Confident	11 Å²	11	42 Å²	42	11%	0.113	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	3.7	178.5	0	0	0	0	0	114.9	M630 A631 C632 T702	M630-G634 PolarHBondContact O-N 3.17Å; A631-G634 WeakPolarHBondContact O-CA 3.4Å; A631-G634 PolarHBondContact O-N 3.36Å; C632-G634 PolarHBondContact O-N 2.87Å; G634-T702 WeakPolarHBondContact O-CG2 3.24Å; G634-T702 PolarHBondContact O-OG1 3.31Å
635	L	87.7	Confident	89.5	Confident	9 Å²	9	37 Å²	37	5%	0.047	20%	0.198	C	C	.	.			trans	-76	140.8	-172.5	-46.5	175.5	0	0	0	112.3	Q479 M630 D633 T637 E671	Q479-L635 HydrophobicContact CB-CD1 3.99Å; Q479-L635 HydrophobicContact CG-CD1 3.58Å; M630-L635 HydrophobicContact CB-CB 4.31Å; M630-L635 HydrophobicContact CB-CD1 4.01Å; M630-L635 HydrophobicContact CG-CD1 4.02Å; M630-L635 WeakPolarHBondContact O-CB 3.26Å; M630-L635 VanDerWaalsContact O-CG 3.27Å; M630-L635 WeakPolarHBondContact O-CG 3.43Å; M630-L635 PolarHBondContact O-N 2.62Å; D633-L635 HydrophobicContact CB-CD1 4.23Å; D633-L635 HydrophobicContact CB-CG 3.99Å; L635-T637 PolarHBondContact O-N 2.89Å; L635-E671 HydrophobicContact CD2-CB 3.53Å; L635-E671 HydrophobicContact CD2-CG 4.4Å; L635-E671 VanDerWaalsContact CD2-OE2 3.24Å; L635-E671 WeakPolarHBondContact CD2-OE2 3.49Å
636	R	86	Confident	89	Confident	140 Å²	140	39 Å²	39	53%	0.528	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	108.4	169.3	-171.8	-178.4	-151.1	164.5	18.5	109.6	M475 T535 I670	M475-R636 HydrophobicContact CE-CB 4.44Å; T535-R636 PolarHBondContact OG1-NH1 2.77Å; R636-I670 HydrophobicContact CB-CB 4.41Å; R636-I670 WeakPolarHBondContact CB-O 3.28Å; R636-I670 PolarHBondContact N-O 3.45Å; R636-I670 PolarHBondContact O-N 3.31Å
637	T	91.1	Very high	88	Confident	18 Å²	18	45.7 Å²	45.7	11%	0.11	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	116	-177.3	50.6	0	0	0	0	112.6	S594 I627 M630 L635 V668	S594-T637 PolarHBondContact N-O 3.09Å; S594-T637 VanDerWaalsContact OG-CB 3.31Å; S594-T637 WeakPolarHBondContact OG-CB 3.23Å; S594-T637 PolarHBondContact OG-OG1 3.38Å; I627-T637 HydrophobicContact CG2-CG2 4.2Å; M630-T637 HydrophobicContact CB-CG2 3.49Å; M630-T637 VanDerWaalsContact CB-CG2 3.49Å; M630-T637 HydrophobicContact CG-CG2 4.29Å; M630-T637 HydrophobicContact SD-CG2 3.82Å; L635-T637 PolarHBondContact O-N 2.89Å; T637-V668 WeakPolarHBondContact CA-O 3.32Å
638	I	93.8	Very high	87	Confident	17 Å²	17	49.6 Å²	49.6	9%	0.087	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.7	176.3	-61.2	-60.7	0	0	0	109.1	T535 G592 V667 V668 I670	T535-I638 HydrophobicContact CG2-CD1 4.42Å; T535-I638 HydrophobicContact CG2-CG1 4.21Å; G592-I638 WeakPolarHBondContact O-CA 3.41Å; I638-V667 CarbonylContact O-C 3.53Å; I638-V667 WeakPolarHBondContact O-CA 3.45Å; I638-V668 HydrophobicContact CB-CG2 4.13Å; I638-V668 PolarHBondContact N-O 3.28Å; I638-V668 PolarHBondContact O-N 3.31Å; I638-I670 HydrophobicContact CB-CD1 4.29Å; I638-I670 HydrophobicContact CG1-CD1 3.72Å
639	C	95.7	Very high	86.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	141.3	170	-177.8	0	0	0	0	110	K591 G592 I597 L598 C664 A666 V667	K591-C639 WeakPolarHBondContact CA-O 3.39Å; G592-C639 PolarHBondContact N-O 3.21Å; G592-C639 PolarHBondContact O-N 3.05Å; I597-C639 HydrophobicContact CB-CB 3.89Å; I597-C639 HydrophobicContact CG2-CB 3.92Å; I597-C639 VanDerWaalsContact CG2-SG 3.59Å; L598-C639 HydrophobicContact CG-CB 4.41Å; C639-C664 VanDerWaalsContact SG-SG 3.6Å; C639-A666 WeakPolarHBondContact CA-O 3.47Å; C639-V667 HydrophobicContact CB-CG2 4.11Å
640	I	96.3	Very high	86.1	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.6	175.6	-50.1	169.4	0	0	0	107.1	I508 L539 I665 A666	I508-I640 HydrophobicContact CD1-CD1 3.83Å; I508-I640 HydrophobicContact CG1-CD1 3.76Å; L539-I640 HydrophobicContact CD2-CD1 4.31Å; I640-I665 HydrophobicContact CG2-CD1 4.29Å; I640-I665 WeakPolarHBondContact O-CB 3.45Å; I640-I665 PolarHBondContact O-N 2.7Å; I640-A666 PolarHBondContact N-O 3.24Å; I640-A666 PolarHBondContact O-N 2.87Å
641	A	96.2	Very high	85.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	165.9	-174.6	0	0	0	0	0	111.8	S590 I597 L662 T663	S590-A641 PolarHBondContact N-O 3.07Å; S590-A641 PolarHBondContact O-N 2.85Å; I597-A641 HydrophobicContact CG2-CB 3.83Å; A641-L662 HydrophobicContact CB-CB 4.06Å; A641-L662 HydrophobicContact CB-CD1 4.33Å; A641-T663 CarbonylContact C-O 3.58Å; A641-T663 WeakPolarHBondContact CA-O 3.24Å; A641-T663 WeakPolarHBondContact CB-O 3.33Å
642	Y	95.4	Very high	85.7	Confident	24 Å²	24	51.8 Å²	51.8	9%	0.094	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	163.5	173.3	77.2	-70.9	0	0	0	112.4	L503 M588 L605 D644 T663 I665	L503-Y642 HydrophobicContact CD1-CE1 4.37Å; M588-Y642 CarbonylContact O-C 3.48Å; M588-Y642 WeakPolarHBondContact O-CA 3.31Å; M588-Y642 WeakPolarHBondContact O-CB 3.38Å; L605-Y642 HydrophobicContact CD2-CE1 4.31Å; Y642-D644 WeakPolarHBondContact CE2-OD2 3.07Å; Y642-T663 HydrophobicContact CD1-CG2 4.26Å; Y642-T663 HydrophobicContact CE1-CG2 3.53Å; Y642-T663 PolarHBondContact N-O 3.49Å; Y642-T663 PolarHBondContact O-N 3.21Å; Y642-I665 HydrophobicContact CD1-CD1 3.7Å; Y642-I665 HydrophobicContact CD1-CG1 3.58Å; Y642-I665 HydrophobicContact CE1-CG1 4.11Å; Y642-I665 HydrophobicContact CG-CD1 4.33Å
643	R	93	Very high	85.5	Confident	39 Å²	39	54 Å²	54	15%	0.147	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	137.4	167.8	-176.4	170.4	-177.2	-163.8	10.4	109.2	M588 F645 E657 I658 T660 E661 L662	M588-R643 HydrophobicContact CE-CB 4.32Å; M588-R643 PolarHBondContact N-O 2.95Å; M588-R643 PolarHBondContact O-N 3.17Å; R643-F645 HydrophobicContact CB-CE2 4.13Å; R643-F645 HydrophobicContact CB-CZ 4.4Å; R643-F645 HydrophobicContact CG-CD2 4.45Å; R643-F645 HydrophobicContact CG-CE1 4.37Å; R643-F645 HydrophobicContact CG-CE2 3.93Å; R643-F645 HydrophobicContact CG-CZ 3.89Å; R643-E657 PolarHBondContact NH1-O 3.34Å; R643-I658 PolarHBondContact NH1-O 3.25Å; R643-T660 WeakPolarHBondContact CD-O 3.4Å; R643-T660 PolarHBondContact NH1-O 2.81Å; R643-T660 PolarHBondContact NH1-OG1 2.85Å; R643-E661 IonicContact CZ-OE2 3.82Å; R643-E661 IonicContact NE-OE2 3.66Å; R643-E661 IonicContact NH2-OE2 2.7Å; R643-E661 PolarHBondContact NH2-OE2 3.45Å; R643-L662 HydrophobicContact CB-CD2 3.96Å
644	D	90.4	Very high	85.4	Confident	52 Å²	52	54 Å²	54	28%	0.278	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.1	171.9	-74.4	-42.3	0	0	0	109.7	R587 Y642	R587-D644 WeakPolarHBondContact CB-OD1 3.33Å; R587-D644 IonicContact CZ-OD1 2.76Å; R587-D644 IonicContact CZ-OD2 3.59Å; R587-D644 IonicContact NE-OD1 3.44Å; R587-D644 PolarHBondContact NE-OD1 3.03Å; R587-D644 IonicContact NE-OD2 2.7Å; R587-D644 IonicContact NH2-OD1 3.69Å; R587-D644 PolarHBondContact NH2-OD1 3.32Å; R587-D644 IonicContact NH2-OD2 3.29Å; R587-D644 PolarHBondContact NH2-OD2 3.48Å; Y642-D644 WeakPolarHBondContact CE2-OD2 3.07Å
645	F	89	Confident	85.1	Confident	24 Å²	24	56.6 Å²	56.6	11%	0.105	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	99.1	175.8	-60.4	-92.3	0	0	0	107.4	G585 F586 M588 R643 P650 W652 I658	G585-F645 CarbonylContact C-O 3.52Å; G585-F645 WeakPolarHBondContact CA-O 3.23Å; F586-F645 HydrophobicContact CB-CB 4.36Å; F586-F645 PolarHBondContact N-O 2.68Å; F586-F645 PolarHBondContact O-N 3.32Å; M588-F645 HydrophobicContact CB-CE2 3.89Å; M588-F645 HydrophobicContact CE-CE2 4.25Å; M588-F645 HydrophobicContact CE-CZ 4.25Å; R643-F645 HydrophobicContact CB-CE2 4.13Å; R643-F645 HydrophobicContact CB-CZ 4.4Å; R643-F645 HydrophobicContact CG-CD2 4.45Å; R643-F645 HydrophobicContact CG-CE1 4.37Å; R643-F645 HydrophobicContact CG-CE2 3.93Å; R643-F645 HydrophobicContact CG-CZ 3.89Å; F645-P650 HydrophobicContact CD1-CG 4.02Å; F645-P650 HydrophobicContact CE1-CG 4.29Å; F645-P650 HydrophobicContact CG-CG 4.45Å; F645-W652 HydrophobicContact CD2-CH2 4.36Å; F645-I658 HydrophobicContact CZ-CG2 4.03Å
646	N	81.2	Confident	84.7	Confident	123 Å²	123	62.1 Å²	62.1	66%	0.658	33%	0.33	S	S	*	.			trans	-95.4	-16.7	-174.5	-63.2	-22.5	0	0	0	113.1
647	D	69	Low	84.4	Confident	148 Å²	148	61.2 Å²	61.2	79%	0.791	33%	0.332	S	S	*	.	S	Bend	trans	-90.8	-160.6	-179.5	-58.6	-72.2	0	0	0	111.7
648	A	69.7	Low	84	Confident	93 Å²	93	60.6 Å²	60.6	77%	0.769	33%	0.328	S	S	*	.	S	Bend	trans	-58.2	154	178.6	0	0	0	0	0	113.1	P650	A648-P650 WeakPolarHBondContact O-CD 3.03Å
649	E	78.1	Confident	83.5	Confident	104 Å²	104	60 Å²	60	49%	0.486	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-62.3	121	-175.4	-173.6	169.6	174.8	0	0	112	Y563 F586 W652	Y563-E649 VanDerWaalsContact CE1-OE1 3.28Å; Y563-E649 WeakPolarHBondContact CE1-OE1 3.26Å; Y563-E649 VanDerWaalsContact CZ-OE1 3.31Å; Y563-E649 PolarHBondContact OH-OE1 2.94Å; F586-E649 HydrophobicContact CE2-CB 4.09Å; F586-E649 HydrophobicContact CE2-CG 3.84Å; F586-E649 HydrophobicContact CZ-CG 3.99Å; E649-W652 HydrophobicContact CG-CZ2 4.31Å; E649-W652 VanDerWaalsContact CG-NE1 3.26Å; E649-W652 PolarHBondContact OE1-NE1 3Å
650	P	80.1	Confident	83.1	Confident	31 Å²	31	62.5 Å²	62.5	20%	0.201	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-74.9	156.4	179.9	31.9	-36.2	0	0	0	111.6	F645 A648 W652 I658	F645-P650 HydrophobicContact CD1-CG 4.02Å; F645-P650 HydrophobicContact CE1-CG 4.29Å; F645-P650 HydrophobicContact CG-CG 4.45Å; A648-P650 WeakPolarHBondContact O-CD 3.03Å; P650-W652 HydrophobicContact CG-CD2 4.28Å; P650-W652 HydrophobicContact CG-CE3 4.29Å; P650-W652 HydrophobicContact CG-CH2 3.6Å; P650-W652 HydrophobicContact CG-CZ2 3.61Å; P650-W652 HydrophobicContact CG-CZ3 3.96Å; P650-W652 VanDerWaalsContact O-CD1 3.3Å; P650-W652 PolarHBondContact O-N 3.33Å; P650-W652 PolarHBondContact O-NE1 3.12Å; P650-I658 HydrophobicContact CB-CG1 4.43Å
651	S	81.7	Confident	82.9	Confident	80 Å²	80	67.5 Å²	67.5	56%	0.559	36%	0.364	S	S	*	.			trans	-70.2	95.3	177.2	-175.8	0	0	0	0	111.3	D653 N654 I658	S651-D653 PolarHBondContact O-N 2.96Å; S651-N654 PolarHBondContact O-N 3.41Å; S651-I658 VanDerWaalsContact O-CD1 3.23Å; S651-I658 WeakPolarHBondContact O-CD1 3.29Å
652	W	81.8	Confident	82.8	Confident	21 Å²	21	67.5 Å²	67.5	8%	0.08	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-6.9	-174.5	-58.5	107.2	0	0	0	116	Y563 K564 Y566 V578 F586 F645 E649 P650 I658	Y563-W652 HydrophobicContact CD1-CZ2 4.48Å; Y563-W652 AromaticContact CE1-CD1 3.91Å; Y563-W652 AromaticContact CE1-CE2 3.97Å; Y563-W652 HydrophobicContact CE1-CZ2 4.47Å; Y563-W652 AromaticContact CE1-NE1 3.44Å; K564-W652 HydrophobicContact CD-CB 4.36Å; Y566-W652 WeakPolarHBondContact CE1-O 3.11Å; Y566-W652 WeakPolarHBondContact OH-CA 3.49Å; Y566-W652 PolarHBondContact OH-O 3.47Å; V578-W652 HydrophobicContact CB-CZ3 4.37Å; V578-W652 HydrophobicContact CG1-CH2 3.59Å; V578-W652 HydrophobicContact CG1-CZ2 4.17Å; V578-W652 HydrophobicContact CG1-CZ3 3.78Å; V578-W652 HydrophobicContact CG2-CE3 4.08Å; V578-W652 HydrophobicContact CG2-CH2 4.37Å; V578-W652 HydrophobicContact CG2-CZ3 3.69Å; F586-W652 HydrophobicContact CB-CH2 4.01Å; F586-W652 HydrophobicContact CB-CZ2 4.2Å; F586-W652 HydrophobicContact CD1-CH2 4.48Å; F586-W652 AromaticContact CD1-CZ2 3.98Å; F586-W652 HydrophobicContact CD1-CZ2 3.98Å; F586-W652 HydrophobicContact CD2-CH2 4.48Å; F586-W652 AromaticContact CD2-CZ2 3.9Å; F586-W652 HydrophobicContact CD2-CZ2 3.9Å; F586-W652 HydrophobicContact CE1-CZ2 4.25Å; F586-W652 HydrophobicContact CE2-CZ2 4.19Å; F586-W652 HydrophobicContact CG-CH2 4.12Å; F586-W652 AromaticContact CG-CZ2 3.79Å; F586-W652 HydrophobicContact CG-CZ2 3.79Å; F586-W652 HydrophobicContact CZ-CZ2 4.34Å; F645-W652 HydrophobicContact CD2-CH2 4.36Å; E649-W652 HydrophobicContact CG-CZ2 4.31Å; E649-W652 VanDerWaalsContact CG-NE1 3.26Å; E649-W652 PolarHBondContact OE1-NE1 3Å; P650-W652 HydrophobicContact CG-CD2 4.28Å; P650-W652 HydrophobicContact CG-CE3 4.29Å; P650-W652 HydrophobicContact CG-CH2 3.6Å; P650-W652 HydrophobicContact CG-CZ2 3.61Å; P650-W652 HydrophobicContact CG-CZ3 3.96Å; P650-W652 VanDerWaalsContact O-CD1 3.3Å; P650-W652 PolarHBondContact O-N 3.33Å; P650-W652 PolarHBondContact O-NE1 3.12Å; W652-I658 VanDerWaalsContact CA-CD1 3.49Å; W652-I658 HydrophobicContact CD2-CD1 4.4Å; W652-I658 HydrophobicContact CE3-CD1 3.78Å; W652-I658 HydrophobicContact CZ3-CD1 4.37Å; W652-I658 HydrophobicContact CZ3-CG2 4.38Å
653	D	77.8	Confident	82.8	Confident	127 Å²	127	66.8 Å²	66.8	68%	0.679	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-14.9	174.9	-56.6	-40.7	0	0	0	112.3	K564 S651 E655	K564-D653 IonicContact NZ-OD1 3.64Å; K564-D653 PolarHBondContact NZ-OD1 2.81Å; S651-D653 PolarHBondContact O-N 2.96Å; D653-E655 VanDerWaalsContact C-N 3.3Å; D653-E655 PolarHBondContact O-N 3.5Å; D653-E655 VanDerWaalsContact O-N 3.1Å
654	N	80.4	Confident	82.9	Confident	72 Å²	72	65 Å²	65	39%	0.385	36%	0.355	S	S	.	.			trans	-86.1	64.7	171.2	-164.7	15.3	0	0	0	112.2	S651 N656 E657 I658	S651-N654 PolarHBondContact O-N 3.41Å; N654-N656 PolarHBondContact O-N 3.17Å; N654-E657 WeakPolarHBondContact ND2-CB 3.42Å; N654-E657 PolarHBondContact ND2-OE2 3.17Å; N654-E657 PolarHBondContact O-N 3.39Å; N654-E657 VanDerWaalsContact O-N 3.14Å; N654-I658 PolarHBondContact O-N 3.47Å
655	E	73.8	Confident	83.1	Confident	65 Å²	65	62.7 Å²	62.7	30%	0.304	34%	0.343	S	S	.	.	H	α-helix	trans	-50.1	-35.2	-175.7	-61	-170	149.5	0	0	114.5	Y566 R572 D653 E657 I658 L659	Y566-E655 HydrophobicContact CD1-CG 4.01Å; Y566-E655 VanDerWaalsContact CD1-OE1 3.27Å; Y566-E655 WeakPolarHBondContact CD1-OE1 3.46Å; Y566-E655 HydrophobicContact CE1-CG 3.76Å; R572-E655 IonicContact CZ-OE1 3.37Å; R572-E655 IonicContact CZ-OE2 3.63Å; R572-E655 IonicContact NH1-OE1 3.67Å; R572-E655 PolarHBondContact NH1-OE1 3.16Å; R572-E655 IonicContact NH1-OE2 3.91Å; R572-E655 PolarHBondContact NH1-OE2 2.61Å; R572-E655 IonicContact NH2-OE1 3.18Å; D653-E655 VanDerWaalsContact C-N 3.3Å; D653-E655 PolarHBondContact O-N 3.5Å; D653-E655 VanDerWaalsContact O-N 3.1Å; E655-E657 VanDerWaalsContact C-N 3.32Å; E655-E657 PolarHBondContact O-N 2.79Å; E655-I658 PolarHBondContact O-N 3.08Å; E655-L659 HydrophobicContact CB-CD1 4.34Å; E655-L659 VanDerWaalsContact O-CB 3.28Å; E655-L659 WeakPolarHBondContact O-CB 3.33Å; E655-L659 VanDerWaalsContact O-CG 3.25Å; E655-L659 WeakPolarHBondContact O-CG 3.44Å; E655-L659 PolarHBondContact O-N 3.35Å
656	N	77.7	Confident	83.3	Confident	125 Å²	125	61.6 Å²	61.6	67%	0.668	34%	0.339	S	S	*	.	H	α-helix	trans	-66.7	-32.8	-174.7	-79	-41.5	0	0	0	113	N654 T660	N654-N656 PolarHBondContact O-N 3.17Å; N656-T660 WeakPolarHBondContact O-CG2 3.26Å
657	E	79.9	Confident	84	Confident	122 Å²	122	55.8 Å²	55.8	57%	0.57	31%	0.307	S	S	*	.	H	α-helix	trans	-80.5	-41.1	178.1	-177.8	171.6	-150.8	0	0	111.1	R643 N654 E655 T660	R643-E657 PolarHBondContact NH1-O 3.34Å; N654-E657 WeakPolarHBondContact ND2-CB 3.42Å; N654-E657 PolarHBondContact ND2-OE2 3.17Å; N654-E657 PolarHBondContact O-N 3.39Å; N654-E657 VanDerWaalsContact O-N 3.14Å; E655-E657 VanDerWaalsContact C-N 3.32Å; E655-E657 PolarHBondContact O-N 2.79Å; E657-T660 PolarHBondContact O-OG1 2.87Å
658	I	83.9	Confident	85.2	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-42.5	178.6	-70.7	170.4	0	0	0	111.6	M588 R643 F645 P650 S651 W652 N654 E655 T660	M588-I658 HydrophobicContact CE-CG2 3.88Å; M588-I658 WeakPolarHBondContact CE-O 3.12Å; M588-I658 HydrophobicContact SD-CG2 3.72Å; R643-I658 PolarHBondContact NH1-O 3.25Å; F645-I658 HydrophobicContact CZ-CG2 4.03Å; P650-I658 HydrophobicContact CB-CG1 4.43Å; S651-I658 VanDerWaalsContact O-CD1 3.23Å; S651-I658 WeakPolarHBondContact O-CD1 3.29Å; W652-I658 VanDerWaalsContact CA-CD1 3.49Å; W652-I658 HydrophobicContact CD2-CD1 4.4Å; W652-I658 HydrophobicContact CE3-CD1 3.78Å; W652-I658 HydrophobicContact CZ3-CD1 4.37Å; W652-I658 HydrophobicContact CZ3-CG2 4.38Å; N654-I658 PolarHBondContact O-N 3.47Å; E655-I658 PolarHBondContact O-N 3.08Å; I658-T660 PolarHBondContact O-N 3.2Å
659	L	83.3	Confident	86.3	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.026	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	44.3	179.4	-61.5	172.2	0	0	0	112.5	S576 M588 K600 E655	S576-L659 VanDerWaalsContact OG-CD2 3.26Å; S576-L659 WeakPolarHBondContact OG-CD2 3.42Å; M588-L659 HydrophobicContact CE-CD2 4.02Å; M588-L659 HydrophobicContact SD-CD2 3.83Å; K600-L659 HydrophobicContact CD-CB 4.48Å; K600-L659 WeakPolarHBondContact CD-O 3.31Å; K600-L659 VanDerWaalsContact CG-O 3.29Å; K600-L659 WeakPolarHBondContact CG-O 3.42Å; K600-L659 PolarHBondContact NZ-O 3.46Å; E655-L659 HydrophobicContact CB-CD1 4.34Å; E655-L659 VanDerWaalsContact O-CB 3.28Å; E655-L659 WeakPolarHBondContact O-CB 3.33Å; E655-L659 VanDerWaalsContact O-CG 3.25Å; E655-L659 WeakPolarHBondContact O-CG 3.44Å; E655-L659 PolarHBondContact O-N 3.35Å
660	T	87.5	Confident	86.9	Confident	52 Å²	52	39.4 Å²	39.4	32%	0.319	21%	0.21	S	C	.	.	S	Bend	trans	-125.4	177.1	170.1	63.9	0	0	0	0	109.8	K600 R643 N656 E657 I658 L662	K600-T660 CarbonylContact O-C 3.49Å; R643-T660 WeakPolarHBondContact CD-O 3.4Å; R643-T660 PolarHBondContact NH1-O 2.81Å; R643-T660 PolarHBondContact NH1-OG1 2.85Å; N656-T660 WeakPolarHBondContact O-CG2 3.26Å; E657-T660 PolarHBondContact O-OG1 2.87Å; I658-T660 PolarHBondContact O-N 3.2Å; T660-L662 PolarHBondContact O-N 2.92Å; T660-L662 VanDerWaalsContact O-N 3.08Å
661	E	90.5	Very high	87.2	Confident	105 Å²	105	39.1 Å²	39.1	49%	0.491	21%	0.206	S	C	.	.	S	Bend	trans	50.5	37.2	173.2	-53.4	-161.2	120.5	0	0	115.6	K600 N602 R643	K600-E661 PolarHBondContact O-N 2.74Å; K600-E661 VanDerWaalsContact O-N 3.13Å; N602-E661 WeakPolarHBondContact ND2-CB 3.48Å; N602-E661 WeakPolarHBondContact ND2-CG 3.47Å; N602-E661 PolarHBondContact ND2-OE1 3.3Å; N602-E661 PolarHBondContact OD1-O 2.82Å; R643-E661 IonicContact CZ-OE2 3.82Å; R643-E661 IonicContact NE-OE2 3.66Å; R643-E661 IonicContact NH2-OE2 2.7Å; R643-E661 PolarHBondContact NH2-OE2 3.45Å
662	L	93.9	Very high	87.3	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	151.1	179.7	-53.4	179.2	0	0	0	110.8	M588 I597 K600 C601 N602 R603 A641 R643 T660	M588-L662 HydrophobicContact CE-CD2 3.72Å; I597-L662 HydrophobicContact CG2-CD1 4.21Å; K600-L662 HydrophobicContact CB-CD1 3.95Å; K600-L662 HydrophobicContact CB-CG 4.34Å; K600-L662 PolarHBondContact O-N 2.99Å; C601-L662 CarbonylContact C-O 3.58Å; C601-L662 WeakPolarHBondContact CA-O 3.46Å; C601-L662 HydrophobicContact CB-CB 4.43Å; C601-L662 WeakPolarHBondContact CB-O 3.44Å; N602-L662 PolarHBondContact N-O 2.93Å; N602-L662 PolarHBondContact OD1-O 2.98Å; R603-L662 PolarHBondContact N-O 3.41Å; A641-L662 HydrophobicContact CB-CB 4.06Å; A641-L662 HydrophobicContact CB-CD1 4.33Å; R643-L662 HydrophobicContact CB-CD2 3.96Å; T660-L662 PolarHBondContact O-N 2.92Å; T660-L662 VanDerWaalsContact O-N 3.08Å
663	T	95.3	Very high	87.5	Confident	10 Å²	10	36.1 Å²	36.1	6%	0.061	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117	166.3	-59.1	0	0	0	0	108.9	R603 L605 A611 A641 Y642 I665	R603-T663 HydrophobicContact CB-CG2 4.04Å; R603-T663 WeakPolarHBondContact O-CA 3.47Å; L605-T663 HydrophobicContact CD2-CG2 4.01Å; L605-T663 HydrophobicContact CG-CG2 4.23Å; A611-T663 HydrophobicContact CB-CG2 3.8Å; A641-T663 CarbonylContact C-O 3.58Å; A641-T663 WeakPolarHBondContact CA-O 3.24Å; A641-T663 WeakPolarHBondContact CB-O 3.33Å; Y642-T663 HydrophobicContact CD1-CG2 4.26Å; Y642-T663 HydrophobicContact CE1-CG2 3.53Å; Y642-T663 PolarHBondContact N-O 3.49Å; Y642-T663 PolarHBondContact O-N 3.21Å; T663-I665 PolarHBondContact O-N 2.76Å
664	C	95.3	Very high	88	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	126.4	175.6	178.9	0	0	0	0	110.5	L598 C601 R603 I604 L605 C639	L598-C664 HydrophobicContact CD2-CB 4.08Å; C601-C664 HydrophobicContact CB-CB 4.29Å; R603-C664 PolarHBondContact O-N 3.29Å; I604-C664 WeakPolarHBondContact CA-O 3.34Å; I604-C664 HydrophobicContact CB-CB 4.24Å; I604-C664 HydrophobicContact CD1-CB 4.39Å; I604-C664 HydrophobicContact CG1-CB 3.98Å; L605-C664 PolarHBondContact N-O 3.09Å; C639-C664 VanDerWaalsContact SG-SG 3.6Å
665	I	94.6	Very high	88.3	Confident	4 Å²	4	29.4 Å²	29.4	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-52.7	176.2	-58.1	172	0	0	0	109.6	L503 I504 L605 I640 Y642 T663	L503-I665 HydrophobicContact CB-CD1 4.28Å; L503-I665 HydrophobicContact CB-CG2 4.49Å; I504-I665 HydrophobicContact CD1-CG2 4.43Å; I504-I665 HydrophobicContact CG1-CG2 3.5Å; L605-I665 HydrophobicContact CD1-CB 4.28Å; L605-I665 HydrophobicContact CD1-CG1 4.16Å; L605-I665 HydrophobicContact CD1-CG2 4.05Å; I640-I665 HydrophobicContact CG2-CD1 4.29Å; I640-I665 WeakPolarHBondContact O-CB 3.45Å; I640-I665 PolarHBondContact O-N 2.7Å; Y642-I665 HydrophobicContact CD1-CD1 3.7Å; Y642-I665 HydrophobicContact CD1-CG1 3.58Å; Y642-I665 HydrophobicContact CE1-CG1 4.11Å; Y642-I665 HydrophobicContact CG-CD1 4.33Å; T663-I665 PolarHBondContact O-N 2.76Å
666	A	94.1	Very high	89.1	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	154	-172.4	0	0	0	0	0	111.7	Y481 I482 C639 I640	Y481-A666 WeakPolarHBondContact O-CA 3.44Å; I482-A666 HydrophobicContact CG1-CB 3.82Å; C639-A666 WeakPolarHBondContact CA-O 3.47Å; I640-A666 PolarHBondContact N-O 3.24Å; I640-A666 PolarHBondContact O-N 2.87Å
667	V	94.9	Very high	89.6	Confident	1 Å²	1	28 Å²	28	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.3	161.7	-177.9	0	0	0	0	108.4	A480 Y481 L598 M622 I627 I638 C639	A480-V667 CarbonylContact C-O 3.52Å; A480-V667 WeakPolarHBondContact CA-O 3.48Å; Y481-V667 PolarHBondContact N-O 3.44Å; Y481-V667 PolarHBondContact O-N 2.89Å; L598-V667 HydrophobicContact CD1-CG2 4.2Å; L598-V667 HydrophobicContact CD2-CG2 4.44Å; M622-V667 HydrophobicContact CE-CG2 3.89Å; I627-V667 HydrophobicContact CD1-CG1 4.41Å; I627-V667 HydrophobicContact CG1-CG1 4.11Å; I638-V667 CarbonylContact O-C 3.53Å; I638-V667 WeakPolarHBondContact O-CA 3.45Å; C639-V667 HydrophobicContact CB-CG2 4.11Å
668	V	95	Very high	90.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.4	-179.9	-64.3	0	0	0	0	111.3	V477 Q479 A480 L539 F542 T637 I638 I670	V477-V668 HydrophobicContact CG1-CB 4.06Å; V477-V668 HydrophobicContact CG1-CG1 4.23Å; V477-V668 HydrophobicContact CG2-CB 4.16Å; V477-V668 HydrophobicContact CG2-CG2 4.22Å; Q479-V668 WeakPolarHBondContact O-CA 3.5Å; A480-V668 HydrophobicContact CB-CG1 4.11Å; L539-V668 HydrophobicContact CD2-CG2 3.62Å; F542-V668 HydrophobicContact CD1-CG1 4.48Å; F542-V668 HydrophobicContact CE1-CG1 4.08Å; F542-V668 HydrophobicContact CZ-CG1 4.49Å; T637-V668 WeakPolarHBondContact CA-O 3.32Å; I638-V668 HydrophobicContact CB-CG2 4.13Å; I638-V668 PolarHBondContact N-O 3.28Å; I638-V668 PolarHBondContact O-N 3.31Å; V668-I670 HydrophobicContact CG2-CD1 4.4Å; V668-I670 HydrophobicContact CG2-CG1 4.21Å
669	G	93.4	Very high	90.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	111.9	171.1	0	0	0	0	0	109.8	V478 Q479	V478-G669 PolarHBondContact N-O 3.32Å; Q479-G669 PolarHBondContact N-O 3.15Å; Q479-G669 PolarHBondContact O-N 3.17Å
670	I	89.8	Confident	91.4	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.6	-179.8	-54	173	0	0	0	109.1	M475 T476 V477 T535 A538 L539 R636 I638 V668	M475-I670 HydrophobicContact CB-CG2 3.84Å; M475-I670 HydrophobicContact CE-CG2 3.79Å; T476-I670 CarbonylContact O-C 3.47Å; T476-I670 WeakPolarHBondContact O-CA 3.43Å; T476-I670 WeakPolarHBondContact O-CG2 3.21Å; V477-I670 HydrophobicContact CG2-CG1 3.95Å; T535-I670 HydrophobicContact CG2-CD1 3.75Å; A538-I670 HydrophobicContact CB-CD1 4.28Å; A538-I670 HydrophobicContact CB-CG2 3.59Å; L539-I670 HydrophobicContact CD2-CD1 4.1Å; L539-I670 HydrophobicContact CG-CD1 4.35Å; R636-I670 HydrophobicContact CB-CB 4.41Å; R636-I670 WeakPolarHBondContact CB-O 3.28Å; R636-I670 PolarHBondContact N-O 3.45Å; R636-I670 PolarHBondContact O-N 3.31Å; I638-I670 HydrophobicContact CB-CD1 4.29Å; I638-I670 HydrophobicContact CG1-CD1 3.72Å; V668-I670 HydrophobicContact CG2-CD1 4.4Å; V668-I670 HydrophobicContact CG2-CG1 4.21Å
671	E	87.3	Confident	91.7	Very high	25 Å²	25	25.6 Å²	25.6	12%	0.117	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	161.8	174.5	104.3	178.1	-176.8	0	0	112.3	M475 T476 V478 L635 K709	M475-E671 CarbonylContact C-O 3.58Å; M475-E671 WeakPolarHBondContact CA-O 3.48Å; T476-E671 PolarHBondContact N-O 3.48Å; T476-E671 PolarHBondContact O-N 3.26Å; V478-E671 HydrophobicContact CG2-CB 4.36Å; V478-E671 HydrophobicContact CG2-CG 3.81Å; L635-E671 HydrophobicContact CD2-CB 3.53Å; L635-E671 HydrophobicContact CD2-CG 4.4Å; L635-E671 VanDerWaalsContact CD2-OE2 3.24Å; L635-E671 WeakPolarHBondContact CD2-OE2 3.49Å; E671-K709 IonicContact OE1-NZ 2.71Å; E671-K709 PolarHBondContact OE1-NZ 3.47Å; E671-K709 IonicContact OE2-NZ 2.77Å; E671-K709 PolarHBondContact OE2-NZ 2.94Å
672	D	83.7	Confident	91.9	Very high	15 Å²	15	20.8 Å²	20.8	8%	0.08	12%	0.117	C	C	.	.			trans	-100.7	103.6	165.2	-171.2	15.2	0	0	0	106.9	T471 N473 R474 M475	T471-D672 VanDerWaalsContact CB-OD2 3.22Å; T471-D672 WeakPolarHBondContact CB-OD2 3.47Å; T471-D672 HydrophobicContact CG2-CB 4.35Å; T471-D672 VanDerWaalsContact CG2-O 3.26Å; T471-D672 WeakPolarHBondContact CG2-O 3.27Å; T471-D672 VanDerWaalsContact OG1-CG 3.24Å; T471-D672 PolarHBondContact OG1-OD2 3.41Å; N473-D672 WeakPolarHBondContact CA-OD1 3.41Å; N473-D672 PolarHBondContact N-OD1 3.35Å; R474-D672 PolarHBondContact N-OD1 3.32Å; M475-D672 HydrophobicContact SD-CB 3.8Å
673	P	85.2	Confident	91.9	Very high	23 Å²	23	23.5 Å²	23.5	15%	0.149	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-71.1	145.2	-166.1	27.8	-33.4	0	0	0	111.6	T471 M472 R474	T471-P673 CarbonylContact C-O 3.54Å; T471-P673 WeakPolarHBondContact CA-O 3.42Å; T471-P673 WeakPolarHBondContact CB-O 3.48Å; M472-P673 HydrophobicContact CB-CG 4.26Å; M472-P673 HydrophobicContact CG-CG 4.14Å; M472-P673 PolarHBondContact N-O 3.48Å; M472-P673 HydrophobicContact SD-CG 3.92Å; R474-P673 WeakPolarHBondContact O-CD 3.47Å
674	V	89.1	Confident	91.9	Very high	25 Å²	25	26.2 Å²	26.2	15%	0.152	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-64.7	138.7	172.4	178.1	0	0	0	0	109.6	V678 P679 I706 K709 C710	V674-V678 HydrophobicContact CG1-CB 4.08Å; V674-V678 HydrophobicContact CG1-CG1 4.05Å; V674-P679 HydrophobicContact CG1-CG 4.48Å; V674-I706 HydrophobicContact CG2-CD1 4.18Å; V674-I706 HydrophobicContact CG2-CG2 3.9Å; V674-K709 HydrophobicContact CG2-CB 4.06Å; V674-K709 HydrophobicContact CG2-CD 4.44Å; V674-C710 VanDerWaalsContact CG1-SG 3.54Å
675	R	87	Confident	91.8	Very high	33 Å²	33	26.3 Å²	26.3	13%	0.125	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-66.3	130.1	175.7	-59.4	174	176.7	-110.6	7	109.7	G468 T469 L470 T471 M472 E677 V678 D821	G468-R675 PolarHBondContact O-NH2 3.32Å; T469-R675 WeakPolarHBondContact O-CD 3.25Å; T469-R675 PolarHBondContact O-NE 3.08Å; L470-R675 PolarHBondContact O-N 3.17Å; L470-R675 VanDerWaalsContact O-N 3.13Å; T471-R675 PolarHBondContact O-NE 3.15Å; M472-R675 HydrophobicContact CG-CG 4.1Å; R675-E677 PolarHBondContact O-N 2.83Å; R675-V678 HydrophobicContact CB-CB 4.43Å; R675-V678 HydrophobicContact CB-CG2 3.79Å; R675-V678 HydrophobicContact CG-CG2 4.47Å; R675-V678 WeakPolarHBondContact O-CB 3.31Å; R675-V678 PolarHBondContact O-N 3.26Å; R675-D821 PolarHBondContact NH1-O 2.88Å; R675-D821 PolarHBondContact NH2-O 3.41Å; R675-D821 VanDerWaalsContact NH2-O 3.17Å
676	P	88.8	Confident	91.7	Very high	104 Å²	104	31.6 Å²	31.6	68%	0.675	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-29.7	-173.9	-30.1	35.5	0	0	0	115.7	M472	M472-P676 HydrophobicContact CE-CG 4.28Å
677	E	89.6	Confident	91.7	Very high	56 Å²	56	37.4 Å²	37.4	26%	0.262	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-15.1	-177.6	67.8	-82.6	-164.4	0	0	114.5	R675 A681 N822 T824	R675-E677 PolarHBondContact O-N 2.83Å; E677-A681 WeakPolarHBondContact O-CB 3.3Å; E677-A681 PolarHBondContact O-N 3.44Å; E677-A681 VanDerWaalsContact O-N 3.11Å; E677-N822 WeakPolarHBondContact CG-OD1 3.08Å; E677-N822 PolarHBondContact OE1-ND2 3.43Å; E677-N822 PolarHBondContact OE1-OD1 2.99Å; E677-T824 HydrophobicContact CB-CG2 3.75Å; E677-T824 HydrophobicContact CG-CG2 3.65Å
678	V	93.9	Very high	91.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-43.2	-177.8	159	0	0	0	0	113.5	L470 V674 R675 D680 A681 I682 C710 F823	L470-V678 HydrophobicContact CD2-CG1 3.82Å; L470-V678 HydrophobicContact CD2-CG2 4.46Å; V674-V678 HydrophobicContact CG1-CB 4.08Å; V674-V678 HydrophobicContact CG1-CG1 4.05Å; R675-V678 HydrophobicContact CB-CB 4.43Å; R675-V678 HydrophobicContact CB-CG2 3.79Å; R675-V678 HydrophobicContact CG-CG2 4.47Å; R675-V678 WeakPolarHBondContact O-CB 3.31Å; R675-V678 PolarHBondContact O-N 3.26Å; V678-D680 PolarHBondContact O-N 3.41Å; V678-A681 PolarHBondContact O-N 2.61Å; V678-I682 HydrophobicContact CG1-CD1 3.51Å; V678-I682 HydrophobicContact CG1-CG1 4.31Å; V678-I682 WeakPolarHBondContact O-CB 3.43Å; V678-I682 WeakPolarHBondContact O-CG1 3.28Å; V678-I682 PolarHBondContact O-N 3.25Å; V678-C710 HydrophobicContact CG1-CB 4.25Å; V678-F823 HydrophobicContact CG2-CB 3.73Å; V678-F823 HydrophobicContact CG2-CG 4.42Å
679	P	94.7	Very high	91.4	Very high	51 Å²	51	38.9 Å²	38.9	33%	0.331	22%	0.216	S	C	.	.	H	α-helix	trans	-61.4	-41.4	179.2	-25.9	35.9	0	0	0	114	V674 I682 A683	V674-P679 HydrophobicContact CG1-CG 4.48Å; P679-I682 PolarHBondContact O-N 2.7Å; P679-A683 WeakPolarHBondContact O-CB 3.4Å; P679-A683 PolarHBondContact O-N 2.92Å
680	D	94.9	Very high	91.5	Very high	81 Å²	81	39.1 Å²	39.1	43%	0.433	22%	0.217	S	C	.	.	H	α-helix	trans	-67.8	-41.7	175.1	168.7	63.3	0	0	0	111.5	V678 I682 A683 K684	V678-D680 PolarHBondContact O-N 3.41Å; D680-I682 VanDerWaalsContact C-N 3.33Å; D680-I682 PolarHBondContact O-N 2.82Å; D680-A683 PolarHBondContact O-N 3.42Å; D680-K684 VanDerWaalsContact CG-NZ 3.33Å; D680-K684 WeakPolarHBondContact O-CB 3.22Å; D680-K684 WeakPolarHBondContact O-CG 3.4Å; D680-K684 PolarHBondContact O-N 3.27Å; D680-K684 WeakPolarHBondContact OD1-CE 3.36Å; D680-K684 IonicContact OD1-NZ 2.7Å; D680-K684 PolarHBondContact OD1-NZ 3.35Å; D680-K684 WeakPolarHBondContact OD2-CE 3.5Å; D680-K684 IonicContact OD2-NZ 2.75Å; D680-K684 PolarHBondContact OD2-NZ 3.44Å
681	A	94.6	Very high	91.6	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-39.9	175.5	0	0	0	0	0	112.4	E677 V678 K684 C685 F823 T824 V827	E677-A681 WeakPolarHBondContact O-CB 3.3Å; E677-A681 PolarHBondContact O-N 3.44Å; E677-A681 VanDerWaalsContact O-N 3.11Å; V678-A681 PolarHBondContact O-N 2.61Å; A681-K684 PolarHBondContact O-N 3.26Å; A681-C685 PolarHBondContact O-N 3.42Å; A681-F823 HydrophobicContact CB-CD1 3.72Å; A681-F823 HydrophobicContact CB-CE1 4.36Å; A681-T824 HydrophobicContact CB-CG2 3.98Å; A681-V827 HydrophobicContact CB-CG2 3.85Å
682	I	95.1	Very high	92	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-70.2	-38.9	175.9	-70.6	170	0	0	0	111.4	L470 V678 P679 D680 K684 C685 K686 V692 C710 I712 F823	L470-I682 HydrophobicContact CD2-CD1 4.17Å; V678-I682 HydrophobicContact CG1-CD1 3.51Å; V678-I682 HydrophobicContact CG1-CG1 4.31Å; V678-I682 WeakPolarHBondContact O-CB 3.43Å; V678-I682 WeakPolarHBondContact O-CG1 3.28Å; V678-I682 PolarHBondContact O-N 3.25Å; P679-I682 PolarHBondContact O-N 2.7Å; D680-I682 VanDerWaalsContact C-N 3.33Å; D680-I682 PolarHBondContact O-N 2.82Å; I682-K684 VanDerWaalsContact C-N 3.33Å; I682-K684 PolarHBondContact O-N 2.74Å; I682-C685 WeakPolarHBondContact O-CB 3.09Å; I682-C685 PolarHBondContact O-N 3.07Å; I682-K686 WeakPolarHBondContact O-CB 3.41Å; I682-K686 PolarHBondContact O-N 3.03Å; I682-V692 HydrophobicContact CG1-CG2 4.38Å; I682-V692 HydrophobicContact CG2-CG2 4.42Å; I682-C710 HydrophobicContact CD1-CB 3.78Å; I682-C710 WeakPolarHBondContact CD1-O 3.11Å; I682-I712 HydrophobicContact CD1-CD1 4.1Å; I682-I712 HydrophobicContact CD1-CG1 3.82Å; I682-I712 HydrophobicContact CG2-CG1 4.2Å; I682-F823 HydrophobicContact CG1-CD1 4.29Å; I682-F823 HydrophobicContact CG1-CE1 3.71Å; I682-F823 HydrophobicContact CG1-CZ 4.2Å
683	A	94	Very high	92.6	Very high	56 Å²	56	40.1 Å²	40.1	46%	0.463	23%	0.225	S	C	.	.	H	α-helix	trans	-60.2	-42.3	172.4	0	0	0	0	0	111.8	P679 D680 K686 Q687	P679-A683 WeakPolarHBondContact O-CB 3.4Å; P679-A683 PolarHBondContact O-N 2.92Å; D680-A683 PolarHBondContact O-N 3.42Å; A683-K686 PolarHBondContact O-N 2.92Å; A683-Q687 PolarHBondContact O-N 3.01Å
684	K	94	Very high	93.1	Very high	68 Å²	68	39 Å²	39	30%	0.296	22%	0.218	S	C	.	.	H	α-helix	trans	-63.8	-40.8	174.3	-74.4	166.1	177.5	167.1	0	112.4	D680 A681 I682 Q687 A688 V827	D680-K684 VanDerWaalsContact CG-NZ 3.33Å; D680-K684 WeakPolarHBondContact O-CB 3.22Å; D680-K684 WeakPolarHBondContact O-CG 3.4Å; D680-K684 PolarHBondContact O-N 3.27Å; D680-K684 WeakPolarHBondContact OD1-CE 3.36Å; D680-K684 IonicContact OD1-NZ 2.7Å; D680-K684 PolarHBondContact OD1-NZ 3.35Å; D680-K684 WeakPolarHBondContact OD2-CE 3.5Å; D680-K684 IonicContact OD2-NZ 2.75Å; D680-K684 PolarHBondContact OD2-NZ 3.44Å; A681-K684 PolarHBondContact O-N 3.26Å; I682-K684 VanDerWaalsContact C-N 3.33Å; I682-K684 PolarHBondContact O-N 2.74Å; K684-Q687 PolarHBondContact O-N 3.43Å; K684-A688 VanDerWaalsContact O-CB 3.32Å; K684-A688 WeakPolarHBondContact O-CB 3.42Å; K684-A688 PolarHBondContact O-N 3.12Å; K684-V827 HydrophobicContact CB-CG1 4.24Å
685	C	94.5	Very high	93.2	Very high	3 Å²	3	38 Å²	38	2%	0.02	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-47.5	170.6	-78	0	0	0	0	112.2	A681 I682 Q687 A688 G689 I690 V692	A681-C685 PolarHBondContact O-N 3.42Å; I682-C685 WeakPolarHBondContact O-CB 3.09Å; I682-C685 PolarHBondContact O-N 3.07Å; C685-Q687 VanDerWaalsContact C-N 3.32Å; C685-Q687 PolarHBondContact O-N 3.23Å; C685-A688 CarbonylContact O-C 3.58Å; C685-A688 PolarHBondContact O-N 3.4Å; C685-A688 VanDerWaalsContact O-N 3.1Å; C685-G689 PolarHBondContact O-N 3.16Å; C685-I690 CarbonylContact C-O 3.56Å; C685-I690 HydrophobicContact CB-CB 4.15Å; C685-I690 WeakPolarHBondContact O-CB 3.32Å; C685-I690 PolarHBondContact O-N 3.29Å; C685-V692 HydrophobicContact CB-CG2 3.87Å
686	K	92.3	Very high	93.2	Very high	114 Å²	114	36.5 Å²	36.5	50%	0.496	21%	0.207	S	C	.	.	H	α-helix	trans	-60.2	-40.8	178.8	-162.6	170.5	-177.2	174.1	0	111	I682 A683 G689 T714	I682-K686 WeakPolarHBondContact O-CB 3.41Å; I682-K686 PolarHBondContact O-N 3.03Å; A683-K686 PolarHBondContact O-N 2.92Å; K686-G689 PolarHBondContact O-N 3.11Å; K686-T714 PolarHBondContact NZ-OG1 2.88Å
687	Q	93.1	Very high	92.7	Very high	124 Å²	124	34 Å²	34	58%	0.579	20%	0.199	S	C	*	.	H	α-helix	trans	-65.5	-39.3	173	-174.4	174	50.2	0	0	113.1	A683 K684 C685 G689	A683-Q687 PolarHBondContact O-N 3.01Å; K684-Q687 PolarHBondContact O-N 3.43Å; C685-Q687 VanDerWaalsContact C-N 3.32Å; C685-Q687 PolarHBondContact O-N 3.23Å; Q687-G689 PolarHBondContact O-N 2.94Å; Q687-G689 VanDerWaalsContact O-N 3.15Å
688	A	92.4	Very high	92.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	1.9	177.4	0	0	0	0	0	114.5	K684 C685 I690 R834 L900	K684-A688 VanDerWaalsContact O-CB 3.32Å; K684-A688 WeakPolarHBondContact O-CB 3.42Å; K684-A688 PolarHBondContact O-N 3.12Å; C685-A688 CarbonylContact O-C 3.58Å; C685-A688 PolarHBondContact O-N 3.4Å; C685-A688 VanDerWaalsContact O-N 3.1Å; A688-I690 HydrophobicContact CB-CD1 4.35Å; A688-I690 HydrophobicContact CB-CG1 4.26Å; A688-R834 PolarHBondContact O-NH2 3.43Å; A688-L900 WeakPolarHBondContact CA-O 3.21Å; A688-L900 HydrophobicContact CB-CB 4.38Å; A688-L900 HydrophobicContact CB-CD2 4.36Å; A688-L900 WeakPolarHBondContact CB-O 3.25Å; A688-L900 PolarHBondContact N-O 2.93Å
689	G	91.9	Very high	91.4	Very high	31 Å²	31	36.7 Å²	36.7	32%	0.32	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	18.8	-177.8	0	0	0	0	0	114.3	C685 K686 Q687	C685-G689 PolarHBondContact O-N 3.16Å; K686-G689 PolarHBondContact O-N 3.11Å; Q687-G689 PolarHBondContact O-N 2.94Å; Q687-G689 VanDerWaalsContact O-N 3.15Å
690	I	94.9	Very high	90.9	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	21%	0.207	C	C	.	.			trans	-101	124	-177.1	-54	-177	0	0	0	109.6	A459 T460 I462 C685 A688 V830	A459-I690 HydrophobicContact CB-CD1 4.46Å; T460-I690 WeakPolarHBondContact O-CA 3.39Å; I462-I690 HydrophobicContact CD1-CG2 3.73Å; I462-I690 HydrophobicContact CG1-CG2 3.75Å; C685-I690 CarbonylContact C-O 3.56Å; C685-I690 HydrophobicContact CB-CB 4.15Å; C685-I690 WeakPolarHBondContact O-CB 3.32Å; C685-I690 PolarHBondContact O-N 3.29Å; A688-I690 HydrophobicContact CB-CD1 4.35Å; A688-I690 HydrophobicContact CB-CG1 4.26Å; I690-V830 HydrophobicContact CD1-CB 4.43Å; I690-V830 HydrophobicContact CD1-CG1 3.76Å; I690-V830 HydrophobicContact CD1-CG2 3.8Å
691	T	93.6	Very high	90.4	Very high	47 Å²	47	34.7 Å²	34.7	29%	0.288	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	105.2	178.4	-55.2	0	0	0	0	110.5	T460 A461 I462 R693	T460-T691 PolarHBondContact O-N 3.48Å; A461-T691 WeakPolarHBondContact CA-O 3.27Å; I462-T691 PolarHBondContact N-O 2.82Å; T691-R693 HydrophobicContact CG2-CG 4.39Å
692	V	95.7	Very high	89.7	Confident	10 Å²	10	36.1 Å²	36.1	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	136.5	170.7	-173.7	0	0	0	0	109.6	I462 I682 C685 I712 F823	I462-V692 CarbonylContact O-C 3.55Å; I462-V692 WeakPolarHBondContact O-CA 3.49Å; I682-V692 HydrophobicContact CG1-CG2 4.38Å; I682-V692 HydrophobicContact CG2-CG2 4.42Å; C685-V692 HydrophobicContact CB-CG2 3.87Å; V692-I712 HydrophobicContact CG1-CD1 4.03Å; V692-I712 HydrophobicContact CG1-CG1 4.25Å; V692-F823 HydrophobicContact CG1-CZ 4.16Å; V692-F823 HydrophobicContact CG2-CZ 4.18Å
693	R	95.3	Very high	89.3	Confident	5 Å²	5	35.9 Å²	35.9	2%	0.019	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.4	175.2	-65	-178.9	170.2	79.4	-1.2	108.8	I462 S464 T691 W747 L750 R751	I462-R693 PolarHBondContact O-N 3.11Å; S464-R693 PolarHBondContact N-O 3.37Å; T691-R693 HydrophobicContact CG2-CG 4.39Å; R693-W747 PolarHBondContact NE-O 3.26Å; R693-W747 VanDerWaalsContact NH2-CE3 3.25Å; R693-W747 PolarHBondContact NH2-O 3.23Å; R693-L750 PolarHBondContact NE-O 3.19Å; R693-R751 CarbonylContact C-O 3.57Å; R693-R751 WeakPolarHBondContact CA-O 3.46Å
694	M	94.8	Very high	89.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	130.4	172.8	-174.9	-172	-68.2	0	0	109.6	S464 K466 L470 T696 A703 I706 A707 I712 R751 V752 L753	S464-M694 WeakPolarHBondContact O-CA 2.92Å; K466-M694 HydrophobicContact CB-CE 4.32Å; K466-M694 HydrophobicContact CB-CG 4.08Å; K466-M694 HydrophobicContact CB-SD 3.9Å; K466-M694 HydrophobicContact CG-CE 4.08Å; K466-M694 HydrophobicContact CG-SD 4.04Å; L470-M694 HydrophobicContact CD1-CE 4Å; M694-T696 HydrophobicContact CG-CG2 4.19Å; M694-T696 HydrophobicContact SD-CG2 4.08Å; M694-A703 HydrophobicContact SD-CB 3.97Å; M694-I706 HydrophobicContact CE-CB 4Å; M694-I706 HydrophobicContact CE-CG2 3.7Å; M694-A707 HydrophobicContact CE-CB 3.88Å; M694-I712 HydrophobicContact CB-CD1 4.31Å; M694-I712 HydrophobicContact CE-CD1 4.28Å; M694-R751 PolarHBondContact N-O 2.87Å; M694-V752 HydrophobicContact CB-CG2 4.47Å; M694-V752 WeakPolarHBondContact O-CA 3.4Å; M694-V752 HydrophobicContact SD-CG1 4.5Å; M694-L753 PolarHBondContact O-N 3.35Å
695	V	91.8	Very high	88.8	Confident	5 Å²	5	36 Å²	36	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	108.2	177.8	-173	0	0	0	0	108.2	C463 S464 D465 L753 K761 L764	C463-V695 HydrophobicContact CB-CG2 4.22Å; S464-V695 PolarHBondContact O-N 2.9Å; D465-V695 WeakPolarHBondContact CA-O 3.37Å; D465-V695 VanDerWaalsContact OD1-O 3.05Å; V695-L753 WeakPolarHBondContact CA-O 3.49Å; V695-L753 HydrophobicContact CG1-CB 4.27Å; V695-L753 HydrophobicContact CG1-CD2 4.12Å; V695-K761 HydrophobicContact CG1-CB 4.33Å; V695-K761 HydrophobicContact CG1-CD 3.99Å; V695-K761 HydrophobicContact CG1-CG 3.68Å; V695-K761 PolarHBondContact O-NZ 3.35Å; V695-L764 HydrophobicContact CG2-CD2 3.88Å
696	T	87.1	Confident	88.5	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	20%	0.201	C	C	.	.			trans	-148.3	153.4	-168.1	-170.3	0	0	0	0	113.7	K466 M694 D698 A703 L753 A754 R755 S756	K466-T696 HydrophobicContact CB-CG2 4.27Å; M694-T696 HydrophobicContact CG-CG2 4.19Å; M694-T696 HydrophobicContact SD-CG2 4.08Å; T696-D698 VanDerWaalsContact C-N 3.25Å; T696-D698 HydrophobicContact CG2-CB 4Å; T696-D698 PolarHBondContact O-N 3.32Å; T696-A703 HydrophobicContact CG2-CB 3.91Å; T696-L753 PolarHBondContact N-O 3.31Å; T696-A754 CarbonylContact O-C 3.59Å; T696-A754 VanDerWaalsContact O-C 3.29Å; T696-A754 WeakPolarHBondContact O-CA 3.43Å; T696-R755 PolarHBondContact O-N 2.97Å; T696-S756 PolarHBondContact N-OG 3.3Å; T696-S756 PolarHBondContact O-N 2.87Å; T696-S756 PolarHBondContact O-OG 2.91Å
697	G	78.4	Confident	88.5	Confident	50 Å²	50	30.9 Å²	30.9	52%	0.515	18%	0.178	S	C	.	.	S	Bend	trans	-72.7	-10.4	173.2	0	0	0	0	0	114.9	R755	G697-R755 WeakPolarHBondContact O-CA 3.33Å
698	D	76.4	Confident	88.4	Confident	52 Å²	52	28 Å²	28	28%	0.278	17%	0.169	S	C	.	.	S	Bend	trans	-66.9	164.3	-179	-84.6	-17.2	0	0	0	113.9	K466 T696 A754 R755	K466-D698 WeakPolarHBondContact CD-OD2 3.38Å; K466-D698 WeakPolarHBondContact CE-OD2 3.41Å; K466-D698 IonicContact NZ-OD2 2.8Å; K466-D698 PolarHBondContact NZ-OD2 3.47Å; T696-D698 VanDerWaalsContact C-N 3.25Å; T696-D698 HydrophobicContact CG2-CB 4Å; T696-D698 PolarHBondContact O-N 3.32Å; D698-A754 WeakPolarHBondContact O-CB 3.38Å; D698-R755 WeakPolarHBondContact O-CG 3.39Å; D698-R755 PolarHBondContact O-N 2.92Å
699	N	79.2	Confident	88.3	Confident	61 Å²	61	32.4 Å²	32.4	33%	0.326	19%	0.188	S	C	.	.			trans	-61.7	141.8	174.3	-173.8	-38.3	0	0	0	111.4	N701 T702 A703	N699-N701 PolarHBondContact O-N 3.28Å; N699-N701 VanDerWaalsContact O-N 3.15Å; N699-N701 PolarHBondContact OD1-N 3.31Å; N699-N701 VanDerWaalsContact OD1-N 3.08Å; N699-T702 PolarHBondContact O-N 2.93Å; N699-T702 VanDerWaalsContact O-N 3.12Å; N699-A703 WeakPolarHBondContact O-CB 3.29Å; N699-A703 PolarHBondContact O-N 3.41Å
700	I	85.9	Confident	88.3	Confident	28 Å²	28	31 Å²	31	14%	0.144	17%	0.173	C	C	.	.	H	α-helix	trans	-53.8	-33.2	179.1	-168.4	168.2	0	0	0	114.1	R704 C721 E723 A754	I700-R704 WeakPolarHBondContact O-CB 3.07Å; I700-R704 PolarHBondContact O-N 3Å; I700-C721 HydrophobicContact CD1-CB 4.02Å; I700-C721 HydrophobicContact CG1-CB 4.17Å; I700-E723 HydrophobicContact CB-CG 3.99Å; I700-E723 HydrophobicContact CD1-CG 4.24Å; I700-E723 HydrophobicContact CG2-CG 4.21Å; I700-A754 VanDerWaalsContact CA-CB 3.46Å; I700-A754 HydrophobicContact CB-CB 3.81Å; I700-A754 HydrophobicContact CG1-CB 4.21Å
701	N	83.5	Confident	88.1	Confident	62 Å²	62	32.2 Å²	32.2	33%	0.332	19%	0.187	S	C	.	.	H	α-helix	trans	-68.2	-49.7	176.8	-72.1	-10	0	0	0	111.5	N699 A703 R704 A705	N699-N701 PolarHBondContact O-N 3.28Å; N699-N701 VanDerWaalsContact O-N 3.15Å; N699-N701 PolarHBondContact OD1-N 3.31Å; N699-N701 VanDerWaalsContact OD1-N 3.08Å; N701-A703 PolarHBondContact O-N 2.97Å; N701-R704 PolarHBondContact O-N 3.18Å; N701-A705 WeakPolarHBondContact O-CB 3.32Å; N701-A705 PolarHBondContact O-N 2.89Å
702	T	80.7	Confident	88.2	Confident	31 Å²	31	30.4 Å²	30.4	19%	0.19	18%	0.175	C	C	.	.	H	α-helix	trans	-59.2	-47.3	174.1	-55.5	0	0	0	0	111.3	G634 N699 R704 A705 I706	G634-T702 WeakPolarHBondContact O-CG2 3.24Å; G634-T702 PolarHBondContact O-OG1 3.31Å; N699-T702 PolarHBondContact O-N 2.93Å; N699-T702 VanDerWaalsContact O-N 3.12Å; T702-R704 VanDerWaalsContact C-N 3.34Å; T702-R704 PolarHBondContact O-N 3.34Å; T702-A705 PolarHBondContact O-N 3.02Å; T702-I706 HydrophobicContact CG2-CG1 4.43Å; T702-I706 WeakPolarHBondContact O-CG1 3.17Å; T702-I706 PolarHBondContact O-N 3.39Å
703	A	86.7	Confident	88.1	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-40.2	179.6	0	0	0	0	0	111.9	M694 T696 N699 N701 A707 V752 A754	M694-A703 HydrophobicContact SD-CB 3.97Å; T696-A703 HydrophobicContact CG2-CB 3.91Å; N699-A703 WeakPolarHBondContact O-CB 3.29Å; N699-A703 PolarHBondContact O-N 3.41Å; N701-A703 PolarHBondContact O-N 2.97Å; A703-A707 WeakPolarHBondContact O-CB 3.49Å; A703-A707 PolarHBondContact O-N 3.48Å; A703-V752 HydrophobicContact CB-CG1 3.57Å; A703-A754 HydrophobicContact CB-CB 3.99Å
704	R	88.8	Confident	87.7	Confident	108 Å²	108	33.5 Å²	33.5	41%	0.408	19%	0.194	S	C	.	.	H	α-helix	trans	-64.8	-46.1	173.4	-173.5	-174.1	-66.4	135.8	-2.1	111.8	I700 N701 T702 A707 T708 L713	I700-R704 WeakPolarHBondContact O-CB 3.07Å; I700-R704 PolarHBondContact O-N 3Å; N701-R704 PolarHBondContact O-N 3.18Å; T702-R704 VanDerWaalsContact C-N 3.34Å; T702-R704 PolarHBondContact O-N 3.34Å; R704-A707 PolarHBondContact O-N 3.4Å; R704-T708 PolarHBondContact O-N 2.86Å; R704-T708 PolarHBondContact O-OG1 3.37Å; R704-T708 VanDerWaalsContact O-OG1 3.06Å; R704-L713 HydrophobicContact CG-CD1 3.93Å
705	A	86.8	Confident	87	Confident	20 Å²	20	39.2 Å²	39.2	17%	0.165	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-47.3	179.1	0	0	0	0	0	111.9	D633 N701 T702 T708 K709	D633-A705 WeakPolarHBondContact O-CB 3.39Å; N701-A705 WeakPolarHBondContact O-CB 3.32Å; N701-A705 PolarHBondContact O-N 2.89Å; T702-A705 PolarHBondContact O-N 3.02Å; A705-T708 PolarHBondContact O-N 3.06Å; A705-K709 WeakPolarHBondContact O-CG 3.33Å; A705-K709 PolarHBondContact O-N 3Å
706	I	88.9	Confident	86.3	Confident	8 Å²	8	43.1 Å²	43.1	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-41.5	175.5	-59.3	-63.5	0	0	0	111	K466 T471 V674 M694 T702 T708 K709 C710	K466-I706 HydrophobicContact CD-CG1 4.34Å; K466-I706 HydrophobicContact CD-CG2 4.46Å; K466-I706 HydrophobicContact CG-CB 4.38Å; K466-I706 HydrophobicContact CG-CG2 3.85Å; T471-I706 HydrophobicContact CG2-CG2 4.34Å; V674-I706 HydrophobicContact CG2-CD1 4.18Å; V674-I706 HydrophobicContact CG2-CG2 3.9Å; M694-I706 HydrophobicContact CE-CB 4Å; M694-I706 HydrophobicContact CE-CG2 3.7Å; T702-I706 HydrophobicContact CG2-CG1 4.43Å; T702-I706 WeakPolarHBondContact O-CG1 3.17Å; T702-I706 PolarHBondContact O-N 3.39Å; I706-T708 VanDerWaalsContact C-N 3.28Å; I706-T708 PolarHBondContact O-N 3Å; I706-K709 HydrophobicContact CD1-CD 4.39Å; I706-K709 PolarHBondContact O-N 3.4Å; I706-C710 WeakPolarHBondContact O-CB 3.34Å; I706-C710 PolarHBondContact O-N 2.99Å; I706-C710 PolarHBondContact O-SG 3.46Å
707	A	92.3	Very high	86	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-33.5	178.1	0	0	0	0	0	113.1	M694 A703 R704 G711 I712 L713 V752	M694-A707 HydrophobicContact CE-CB 3.88Å; A703-A707 WeakPolarHBondContact O-CB 3.49Å; A703-A707 PolarHBondContact O-N 3.48Å; R704-A707 PolarHBondContact O-N 3.4Å; A707-G711 PolarHBondContact O-N 2.68Å; A707-I712 HydrophobicContact CB-CB 4.19Å; A707-I712 WeakPolarHBondContact O-CB 3.4Å; A707-I712 PolarHBondContact O-N 2.81Å; A707-L713 HydrophobicContact CB-CD1 3.84Å; A707-L713 HydrophobicContact CB-CG 3.98Å; A707-L713 PolarHBondContact O-N 2.78Å; A707-V752 HydrophobicContact CB-CG2 3.54Å
708	T	91.2	Very high	86.3	Confident	64 Å²	64	49.2 Å²	49.2	39%	0.393	29%	0.293	S	S	.	.	H	α-helix	trans	-71.4	-46.3	171.1	-54.6	0	0	0	0	111.6	R704 A705 I706 C710 G711 P715	R704-T708 PolarHBondContact O-N 2.86Å; R704-T708 PolarHBondContact O-OG1 3.37Å; R704-T708 VanDerWaalsContact O-OG1 3.06Å; A705-T708 PolarHBondContact O-N 3.06Å; I706-T708 VanDerWaalsContact C-N 3.28Å; I706-T708 PolarHBondContact O-N 3Å; T708-C710 PolarHBondContact O-N 3.31Å; T708-G711 PolarHBondContact O-N 3.3Å; T708-P715 HydrophobicContact CG2-CG 4.38Å
709	K	89.4	Confident	87	Confident	94 Å²	94	49.9 Å²	49.9	41%	0.409	29%	0.294	S	S	.	.	H	α-helix	trans	-56.6	-35.5	174	-74.1	-178.6	178.2	-178.6	0	112.4	E671 V674 A705 I706	E671-K709 IonicContact OE1-NZ 2.71Å; E671-K709 PolarHBondContact OE1-NZ 3.47Å; E671-K709 IonicContact OE2-NZ 2.77Å; E671-K709 PolarHBondContact OE2-NZ 2.94Å; V674-K709 HydrophobicContact CG2-CB 4.06Å; V674-K709 HydrophobicContact CG2-CD 4.44Å; A705-K709 WeakPolarHBondContact O-CG 3.33Å; A705-K709 PolarHBondContact O-N 3Å; I706-K709 HydrophobicContact CD1-CD 4.39Å; I706-K709 PolarHBondContact O-N 3.4Å
710	C	92.1	Very high	87.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-7	177.8	-68.8	0	0	0	0	114.8	V674 V678 I682 I706 T708 I712	V674-C710 VanDerWaalsContact CG1-SG 3.54Å; V678-C710 HydrophobicContact CG1-CB 4.25Å; I682-C710 HydrophobicContact CD1-CB 3.78Å; I682-C710 WeakPolarHBondContact CD1-O 3.11Å; I706-C710 WeakPolarHBondContact O-CB 3.34Å; I706-C710 PolarHBondContact O-N 2.99Å; I706-C710 PolarHBondContact O-SG 3.46Å; T708-C710 PolarHBondContact O-N 3.31Å; C710-I712 VanDerWaalsContact C-N 3.27Å; C710-I712 HydrophobicContact CB-CD1 4.14Å; C710-I712 HydrophobicContact CB-CG1 4.02Å; C710-I712 PolarHBondContact O-N 2.79Å
711	G	92.6	Very high	87.9	Confident	31 Å²	31	49.6 Å²	49.6	32%	0.32	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	15.3	-175.3	0	0	0	0	0	115.5	A707 T708	A707-G711 PolarHBondContact O-N 2.68Å; T708-G711 PolarHBondContact O-N 3.3Å
712	I	94.4	Very high	88.4	Confident	9 Å²	9	47.6 Å²	47.6	5%	0.046	28%	0.283	C	S	.	.	S	Bend	trans	-71.5	-38.8	172.4	-60.1	175.4	0	0	0	109.9	L470 I682 V692 M694 A707 C710 R751	L470-I712 HydrophobicContact CD1-CD1 4.03Å; I682-I712 HydrophobicContact CD1-CD1 4.1Å; I682-I712 HydrophobicContact CD1-CG1 3.82Å; I682-I712 HydrophobicContact CG2-CG1 4.2Å; V692-I712 HydrophobicContact CG1-CD1 4.03Å; V692-I712 HydrophobicContact CG1-CG1 4.25Å; M694-I712 HydrophobicContact CB-CD1 4.31Å; M694-I712 HydrophobicContact CE-CD1 4.28Å; A707-I712 HydrophobicContact CB-CB 4.19Å; A707-I712 WeakPolarHBondContact O-CB 3.4Å; A707-I712 PolarHBondContact O-N 2.81Å; C710-I712 VanDerWaalsContact C-N 3.27Å; C710-I712 HydrophobicContact CB-CD1 4.14Å; C710-I712 HydrophobicContact CB-CG1 4.02Å; C710-I712 PolarHBondContact O-N 2.79Å; I712-R751 HydrophobicContact CG2-CB 4.24Å
713	L	92.9	Very high	88.9	Confident	18 Å²	18	48.3 Å²	48.3	9%	0.094	28%	0.284	C	S	.	.	S	Bend	trans	-106.1	125.7	169.2	-63.3	174.1	0	0	0	108.7	R704 A707 F719 R751 V752	R704-L713 HydrophobicContact CG-CD1 3.93Å; A707-L713 HydrophobicContact CB-CD1 3.84Å; A707-L713 HydrophobicContact CB-CG 3.98Å; A707-L713 PolarHBondContact O-N 2.78Å; L713-F719 HydrophobicContact CD2-CB 3.95Å; L713-R751 HydrophobicContact CD2-CB 3.73Å; L713-R751 HydrophobicContact CD2-CG 4.15Å; L713-V752 HydrophobicContact CD1-CG2 4.02Å; L713-V752 HydrophobicContact CG-CG2 4.35Å
714	T	87.6	Confident	89	Confident	61 Å²	61	48.4 Å²	48.4	37%	0.374	29%	0.285	S	S	.	.			trans	-96.8	132.9	170.1	-9.9	0	0	0	0	108.5	K686 G716 D717	K686-T714 PolarHBondContact NZ-OG1 2.88Å; T714-G716 PolarHBondContact O-N 2.93Å; T714-G716 VanDerWaalsContact O-N 3.15Å; T714-D717 WeakPolarHBondContact CA-OD2 3.49Å; T714-D717 WeakPolarHBondContact CB-OD2 3.46Å; T714-D717 PolarHBondContact N-OD2 2.98Å; T714-D717 VanDerWaalsContact N-OD2 3.08Å; T714-D717 WeakPolarHBondContact O-CB 3.26Å; T714-D717 PolarHBondContact O-N 3.04Å; T714-D717 PolarHBondContact OG1-OD2 3.33Å
715	P	80.7	Confident	89	Confident	121 Å²	121	51.9 Å²	51.9	79%	0.786	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	120	179.6	-26.2	35.4	0	0	0	111.8	T708	T708-P715 HydrophobicContact CG2-CG 4.38Å
716	G	77.4	Confident	89.2	Confident	87 Å²	87	54.2 Å²	54.2	90%	0.897	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	107	-10.4	-174.1	0	0	0	0	0	115.1	T714	T714-G716 PolarHBondContact O-N 2.93Å; T714-G716 VanDerWaalsContact O-N 3.15Å
717	D	80.6	Confident	89.5	Confident	66 Å²	66	53.8 Å²	53.8	35%	0.353	31%	0.308	S	S	.	.			trans	-72.5	133.8	175.2	-70.7	-26.4	0	0	0	112.5	T714 F719	T714-D717 WeakPolarHBondContact CA-OD2 3.49Å; T714-D717 WeakPolarHBondContact CB-OD2 3.46Å; T714-D717 PolarHBondContact N-OD2 2.98Å; T714-D717 VanDerWaalsContact N-OD2 3.08Å; T714-D717 WeakPolarHBondContact O-CB 3.26Å; T714-D717 PolarHBondContact O-N 3.04Å; T714-D717 PolarHBondContact OG1-OD2 3.33Å; D717-F719 HydrophobicContact CB-CB 4.44Å; D717-F719 HydrophobicContact CB-CD2 3.43Å; D717-F719 VanDerWaalsContact CB-CD2 3.43Å; D717-F719 HydrophobicContact CB-CE2 3.79Å; D717-F719 HydrophobicContact CB-CG 4.06Å; D717-F719 PolarHBondContact O-N 2.85Å; D717-F719 WeakPolarHBondContact OD2-CD2 3.4Å; D717-F719 VanDerWaalsContact OD2-CE2 3.29Å; D717-F719 WeakPolarHBondContact OD2-CE2 3.48Å
718	D	85	Confident	89.4	Confident	112 Å²	112	55.1 Å²	55.1	60%	0.599	32%	0.315	S	S	*	.			trans	-78.6	59	168.7	-179.8	37.7	0	0	0	111.9	K749	D718-K749 IonicContact OD2-NZ 2.74Å; D718-K749 PolarHBondContact OD2-NZ 2.97Å
719	F	90.3	Very high	89.4	Confident	66 Å²	66	60.1 Å²	60.1	29%	0.289	33%	0.327	S	S	.	.			trans	-107.2	140.5	177.7	-70.9	-37.1	0	0	0	112.7	L713 D717 R751	L713-F719 HydrophobicContact CD2-CB 3.95Å; D717-F719 HydrophobicContact CB-CB 4.44Å; D717-F719 HydrophobicContact CB-CD2 3.43Å; D717-F719 VanDerWaalsContact CB-CD2 3.43Å; D717-F719 HydrophobicContact CB-CE2 3.79Å; D717-F719 HydrophobicContact CB-CG 4.06Å; D717-F719 PolarHBondContact O-N 2.85Å; D717-F719 WeakPolarHBondContact OD2-CD2 3.4Å; D717-F719 VanDerWaalsContact OD2-CE2 3.29Å; D717-F719 WeakPolarHBondContact OD2-CE2 3.48Å; F719-R751 HydrophobicContact CB-CB 4.32Å; F719-R751 HydrophobicContact CB-CG 3.59Å; F719-R751 HydrophobicContact CD1-CG 4.19Å; F719-R751 HydrophobicContact CD2-CG 3.83Å; F719-R751 HydrophobicContact CG-CG 3.6Å
720	L	90.7	Very high	89.4	Confident	60 Å²	60	58.6 Å²	58.6	31%	0.314	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	135	-173.1	-63.3	174.6	0	0	0	112.1	I746 K749 L750 R751 V752	L720-I746 HydrophobicContact CD1-CG2 4.37Å; L720-K749 HydrophobicContact CD1-CB 3.89Å; L720-K749 HydrophobicContact CG-CB 3.9Å; L720-K749 PolarHBondContact N-O 3.33Å; L720-L750 HydrophobicContact CB-CD1 4.38Å; L720-R751 PolarHBondContact O-N 3.21Å; L720-V752 PolarHBondContact O-N 3.01Å
721	C	92.9	Very high	89.4	Confident	24 Å²	24	58.6 Å²	58.6	16%	0.162	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.7	161.2	-50.7	0	0	0	0	108.1	I700 V752	I700-C721 HydrophobicContact CD1-CB 4.02Å; I700-C721 HydrophobicContact CG1-CB 4.17Å; C721-V752 WeakPolarHBondContact CA-O 3.45Å; C721-V752 HydrophobicContact CB-CB 4.08Å
722	L	94.1	Very high	89.3	Confident	20 Å²	20	61.5 Å²	61.5	11%	0.105	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	152.8	179.5	-62.9	177.9	0	0	0	110.9	E726 F727 L730 I746 L750 V752 L753 A754	L722-E726 HydrophobicContact CD2-CG 4.13Å; L722-F727 HydrophobicContact CD1-CB 4.44Å; L722-F727 HydrophobicContact CD1-CD2 4.46Å; L722-L730 HydrophobicContact CD1-CD1 4.15Å; L722-L730 HydrophobicContact CD2-CD1 4.24Å; L722-I746 HydrophobicContact CD1-CG2 3.8Å; L722-L750 HydrophobicContact CB-CD1 4.15Å; L722-L750 HydrophobicContact CD1-CD1 3.99Å; L722-L750 HydrophobicContact CG-CD1 3.95Å; L722-V752 PolarHBondContact N-O 3.31Å; L722-L753 HydrophobicContact CB-CD1 4.26Å; L722-A754 PolarHBondContact O-N 3.18Å
723	E	91.8	Very high	89	Confident	46 Å²	46	62.7 Å²	62.7	22%	0.215	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	150.8	162	-66.2	-155.9	156.4	0	0	110.5	I700 K725 E726 F727 A754 R755	I700-E723 HydrophobicContact CB-CG 3.99Å; I700-E723 HydrophobicContact CD1-CG 4.24Å; I700-E723 HydrophobicContact CG2-CG 4.21Å; E723-K725 PolarHBondContact O-N 3.44Å; E723-K725 VanDerWaalsContact O-N 3.16Å; E723-E726 WeakPolarHBondContact O-CA 3.42Å; E723-E726 WeakPolarHBondContact O-CB 3.38Å; E723-E726 PolarHBondContact O-N 3.46Å; E723-F727 PolarHBondContact O-N 2.83Å; E723-A754 CarbonylContact C-O 3.54Å; E723-A754 VanDerWaalsContact CA-O 3.25Å; E723-A754 WeakPolarHBondContact CA-O 3.23Å; E723-R755 VanDerWaalsContact CD-NH1 3.31Å; E723-R755 WeakPolarHBondContact OE1-CD 3.41Å; E723-R755 IonicContact OE1-CZ 3.95Å; E723-R755 IonicContact OE1-NE 2.7Å; E723-R755 PolarHBondContact OE1-NE 2.81Å; E723-R755 IonicContact OE1-NH1 2.65Å; E723-R755 PolarHBondContact OE1-NH1 3.35Å; E723-R755 IonicContact OE1-NH2 3.45Å; E723-R755 IonicContact OE2-CZ 2.74Å; E723-R755 IonicContact OE2-NE 3.87Å; E723-R755 IonicContact OE2-NH1 3.32Å; E723-R755 PolarHBondContact OE2-NH1 3.48Å
724	G	87.8	Confident	88.6	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-51.7	-38.9	-180	0	0	0	0	0	114	E726 F727 N728 A754	G724-E726 PolarHBondContact O-N 3.48Å; G724-F727 PolarHBondContact O-N 3.06Å; G724-N728 PolarHBondContact O-N 3.03Å; G724-N728 PolarHBondContact O-ND2 3.2Å; G724-A754 PolarHBondContact N-O 3.1Å
725	K	88.9	Confident	88.3	Confident	181 Å²	181	77 Å²	77	79%	0.787	39%	0.391	S	S	*	.	H	α-helix	trans	-62.7	-40.7	174.6	-175.3	177.3	178.7	-179.3	0	112.7	E723 R729	E723-K725 PolarHBondContact O-N 3.44Å; E723-K725 VanDerWaalsContact O-N 3.16Å; K725-R729 WeakPolarHBondContact O-CB 3.11Å; K725-R729 PolarHBondContact O-N 3.26Å; K725-R729 VanDerWaalsContact O-N 3.07Å
726	E	92.6	Very high	88.3	Confident	69 Å²	69	72.8 Å²	72.8	32%	0.322	37%	0.368	S	S	.	.	H	α-helix	trans	-73.9	-40.4	179.7	-174.4	67.2	172.9	0	0	111.1	L722 E723 G724 N728 R729 L730	L722-E726 HydrophobicContact CD2-CG 4.13Å; E723-E726 WeakPolarHBondContact O-CA 3.42Å; E723-E726 WeakPolarHBondContact O-CB 3.38Å; E723-E726 PolarHBondContact O-N 3.46Å; G724-E726 PolarHBondContact O-N 3.48Å; E726-N728 PolarHBondContact O-N 3.02Å; E726-R729 WeakPolarHBondContact O-CB 3.24Å; E726-R729 PolarHBondContact O-N 3.39Å; E726-R729 IonicContact OE1-CZ 2.67Å; E726-R729 IonicContact OE1-NE 3.22Å; E726-R729 IonicContact OE1-NH2 3.69Å; E726-R729 PolarHBondContact OE1-NH2 2.89Å; E726-R729 IonicContact OE2-CZ 3.85Å; E726-R729 IonicContact OE2-NE 3.67Å; E726-R729 PolarHBondContact OE2-NE 2.63Å; E726-R729 IonicContact OE2-NH2 2.71Å; E726-R729 PolarHBondContact OE2-NH2 3.43Å; E726-L730 HydrophobicContact CG-CD1 4.05Å; E726-L730 WeakPolarHBondContact O-CB 3.24Å; E726-L730 VanDerWaalsContact O-CG 3.26Å; E726-L730 WeakPolarHBondContact O-CG 3.36Å; E726-L730 PolarHBondContact O-N 2.85Å
727	F	93.5	Very high	88.7	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-56.5	-49.2	171.4	174.7	-115.6	0	0	0	111.7	L722 E723 G724 R729 L730 I731 L743 L750 L753 L764	L722-F727 HydrophobicContact CD1-CB 4.44Å; L722-F727 HydrophobicContact CD1-CD2 4.46Å; E723-F727 PolarHBondContact O-N 2.83Å; G724-F727 PolarHBondContact O-N 3.06Å; F727-R729 VanDerWaalsContact C-N 3.35Å; F727-R729 PolarHBondContact O-N 3.07Å; F727-L730 PolarHBondContact O-N 3.16Å; F727-L730 VanDerWaalsContact O-N 3.17Å; F727-I731 HydrophobicContact CD1-CD1 4.06Å; F727-I731 HydrophobicContact CD2-CG2 3.99Å; F727-I731 HydrophobicContact CE1-CD1 3.66Å; F727-I731 HydrophobicContact CE2-CD1 4.18Å; F727-I731 HydrophobicContact CE2-CG2 3.75Å; F727-I731 HydrophobicContact CG-CD1 4.49Å; F727-I731 HydrophobicContact CZ-CD1 3.72Å; F727-I731 HydrophobicContact CZ-CG2 4.29Å; F727-I731 WeakPolarHBondContact O-CG1 3.33Å; F727-I731 WeakPolarHBondContact O-CG2 3.45Å; F727-I731 PolarHBondContact O-N 2.88Å; F727-L743 HydrophobicContact CE2-CD1 4.46Å; F727-L743 HydrophobicContact CZ-CD1 4.09Å; F727-L750 HydrophobicContact CD2-CD2 4.38Å; F727-L750 HydrophobicContact CE2-CD2 4.29Å; F727-L753 HydrophobicContact CB-CD1 3.55Å; F727-L753 HydrophobicContact CD1-CD1 4.07Å; F727-L753 HydrophobicContact CD1-CD2 3.98Å; F727-L753 HydrophobicContact CD2-CD1 4.4Å; F727-L753 HydrophobicContact CE1-CD2 4.17Å; F727-L753 HydrophobicContact CG-CD1 3.77Å; F727-L753 HydrophobicContact CG-CD2 4.42Å; F727-L764 HydrophobicContact CE1-CB 4.3Å; F727-L764 HydrophobicContact CE2-CD1 4.22Å; F727-L764 HydrophobicContact CZ-CB 3.97Å; F727-L764 HydrophobicContact CZ-CD1 4.01Å
728	N	90	Very high	89	Confident	28 Å²	28	73.5 Å²	73.5	15%	0.15	35%	0.351	C	S	.	.	H	α-helix	trans	-58.8	-43.3	174.5	-82.8	-78.3	0	0	0	112.8	G724 E726 L730 R732 D760	G724-N728 PolarHBondContact O-N 3.03Å; G724-N728 PolarHBondContact O-ND2 3.2Å; E726-N728 PolarHBondContact O-N 3.02Å; N728-L730 PolarHBondContact O-N 3.25Å; N728-R732 VanDerWaalsContact O-CB 3.32Å; N728-R732 WeakPolarHBondContact O-CB 3.29Å; N728-R732 VanDerWaalsContact O-CG 3.29Å; N728-R732 WeakPolarHBondContact O-CG 3.37Å; N728-R732 PolarHBondContact O-N 3.42Å; N728-R732 VanDerWaalsContact O-N 3.17Å; N728-R732 VanDerWaalsContact OD1-CZ 3.24Å; N728-R732 PolarHBondContact OD1-NE 3.29Å; N728-R732 PolarHBondContact OD1-NH2 2.88Å; N728-D760 PolarHBondContact ND2-OD1 3.39Å
729	R	91.4	Very high	89.2	Confident	169 Å²	169	71.6 Å²	71.6	64%	0.638	34%	0.338	S	S	*	.	H	α-helix	trans	-61.1	-33.7	177.6	-171.2	177.9	76.9	91.4	-2.6	112.5	K725 E726 F727	K725-R729 WeakPolarHBondContact O-CB 3.11Å; K725-R729 PolarHBondContact O-N 3.26Å; K725-R729 VanDerWaalsContact O-N 3.07Å; E726-R729 WeakPolarHBondContact O-CB 3.24Å; E726-R729 PolarHBondContact O-N 3.39Å; E726-R729 IonicContact OE1-CZ 2.67Å; E726-R729 IonicContact OE1-NE 3.22Å; E726-R729 IonicContact OE1-NH2 3.69Å; E726-R729 PolarHBondContact OE1-NH2 2.89Å; E726-R729 IonicContact OE2-CZ 3.85Å; E726-R729 IonicContact OE2-NE 3.67Å; E726-R729 PolarHBondContact OE2-NE 2.63Å; E726-R729 IonicContact OE2-NH2 2.71Å; E726-R729 PolarHBondContact OE2-NH2 3.43Å; F727-R729 VanDerWaalsContact C-N 3.35Å; F727-R729 PolarHBondContact O-N 3.07Å
730	L	90.9	Very high	89.2	Confident	62 Å²	62	71.2 Å²	71.2	33%	0.325	34%	0.337	S	S	.	.	H	α-helix	trans	-87	-26.8	-176.8	-68.5	170.7	0	0	0	114.1	L722 E726 F727 N728 K742 I746	L722-L730 HydrophobicContact CD1-CD1 4.15Å; L722-L730 HydrophobicContact CD2-CD1 4.24Å; E726-L730 HydrophobicContact CG-CD1 4.05Å; E726-L730 WeakPolarHBondContact O-CB 3.24Å; E726-L730 VanDerWaalsContact O-CG 3.26Å; E726-L730 WeakPolarHBondContact O-CG 3.36Å; E726-L730 PolarHBondContact O-N 2.85Å; F727-L730 PolarHBondContact O-N 3.16Å; F727-L730 VanDerWaalsContact O-N 3.17Å; N728-L730 PolarHBondContact O-N 3.25Å; L730-K742 WeakPolarHBondContact O-CB 3.26Å; L730-K742 WeakPolarHBondContact O-CD 3.23Å; L730-I746 HydrophobicContact CB-CD1 3.63Å; L730-I746 HydrophobicContact CD1-CD1 4.44Å
731	I	91.3	Very high	89.1	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-95.4	-17	-179.9	71.4	-173.6	0	0	0	114.4	F727 V738 E739 L743 I746 T763	F727-I731 HydrophobicContact CD1-CD1 4.06Å; F727-I731 HydrophobicContact CD2-CG2 3.99Å; F727-I731 HydrophobicContact CE1-CD1 3.66Å; F727-I731 HydrophobicContact CE2-CD1 4.18Å; F727-I731 HydrophobicContact CE2-CG2 3.75Å; F727-I731 HydrophobicContact CG-CD1 4.49Å; F727-I731 HydrophobicContact CZ-CD1 3.72Å; F727-I731 HydrophobicContact CZ-CG2 4.29Å; F727-I731 WeakPolarHBondContact O-CG1 3.33Å; F727-I731 WeakPolarHBondContact O-CG2 3.45Å; F727-I731 PolarHBondContact O-N 2.88Å; I731-V738 HydrophobicContact CB-CG1 4.35Å; I731-V738 HydrophobicContact CD1-CG1 4.04Å; I731-V738 HydrophobicContact CD1-CG2 4.32Å; I731-V738 HydrophobicContact CG1-CG1 4.13Å; I731-V738 HydrophobicContact CG1-CG2 4.47Å; I731-E739 PolarHBondContact O-N 2.97Å; I731-L743 HydrophobicContact CB-CB 4.33Å; I731-L743 HydrophobicContact CG2-CB 3.89Å; I731-L743 HydrophobicContact CG2-CD1 4.41Å; I731-L743 HydrophobicContact CG2-CG 4.41Å; I731-I746 HydrophobicContact CG2-CD1 4.11Å; I731-T763 HydrophobicContact CD1-CG2 3.72Å
732	R	90.4	Very high	89	Confident	91 Å²	91	77 Å²	77	34%	0.343	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-90.1	161.8	-174.1	-69.1	177.5	-171.9	-107.3	5.5	113.6	N728 G736 E737 V738 K742	N728-R732 VanDerWaalsContact O-CB 3.32Å; N728-R732 WeakPolarHBondContact O-CB 3.29Å; N728-R732 VanDerWaalsContact O-CG 3.29Å; N728-R732 WeakPolarHBondContact O-CG 3.37Å; N728-R732 PolarHBondContact O-N 3.42Å; N728-R732 VanDerWaalsContact O-N 3.17Å; N728-R732 VanDerWaalsContact OD1-CZ 3.24Å; N728-R732 PolarHBondContact OD1-NE 3.29Å; N728-R732 PolarHBondContact OD1-NH2 2.88Å; R732-G736 WeakPolarHBondContact CD-O 3.5Å; R732-G736 PolarHBondContact NH1-O 2.85Å; R732-E737 CarbonylContact C-O 3.59Å; R732-E737 WeakPolarHBondContact CA-O 3.3Å; R732-E737 WeakPolarHBondContact CB-O 3.38Å; R732-V738 HydrophobicContact CG-CG2 4.18Å; R732-K742 PolarHBondContact O-NZ 2.97Å
733	N	89.1	Confident	88.8	Confident	35 Å²	35	76.1 Å²	76.1	19%	0.187	35%	0.354	C	S	.	.			trans	-97.3	178.9	170.2	76.5	3.9	0	0	0	111.7	K735 G736 E737 E739	N733-K735 PolarHBondContact O-N 3.04Å; N733-K735 WeakPolarHBondContact OD1-CA 3.29Å; N733-K735 WeakPolarHBondContact OD1-CB 3.29Å; N733-K735 PolarHBondContact OD1-N 2.95Å; N733-G736 PolarHBondContact O-N 3.36Å; N733-G736 PolarHBondContact OD1-N 3.48Å; N733-E737 PolarHBondContact N-O 3.3Å; N733-E737 PolarHBondContact ND2-OE2 2.97Å; N733-E737 PolarHBondContact OD1-N 3.23Å; N733-E739 HydrophobicContact CB-CG 4.08Å; N733-E739 WeakPolarHBondContact CB-OE1 3.5Å
734	E	84.2	Confident	88.8	Confident	209 Å²	209	74.7 Å²	74.7	98%	0.977	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.7	-179.9	-61.4	-176.3	163	0	0	113.3
735	K	80.2	Confident	88.9	Confident	171 Å²	171	81.7 Å²	81.7	74%	0.743	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-4.2	172.5	-54.4	175.9	-179.6	176.6	0	113.1	N733 E737	N733-K735 PolarHBondContact O-N 3.04Å; N733-K735 WeakPolarHBondContact OD1-CA 3.29Å; N733-K735 WeakPolarHBondContact OD1-CB 3.29Å; N733-K735 PolarHBondContact OD1-N 2.95Å; K735-E737 HydrophobicContact CB-CG 4.22Å; K735-E737 WeakPolarHBondContact CD-OE2 3.38Å
736	G	80.7	Confident	89	Confident	31 Å²	31	74 Å²	74	32%	0.32	35%	0.345	S	S	.	.	S	Bend	trans	82.3	4	-176.8	0	0	0	0	0	115.3	R732 N733	R732-G736 WeakPolarHBondContact CD-O 3.5Å; R732-G736 PolarHBondContact NH1-O 2.85Å; N733-G736 PolarHBondContact O-N 3.36Å; N733-G736 PolarHBondContact OD1-N 3.48Å
737	E	85.9	Confident	88.9	Confident	108 Å²	108	71.5 Å²	71.5	51%	0.505	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-77.9	155.5	176.8	-54.1	164	131	0	0	110.5	R732 N733 K735	R732-E737 CarbonylContact C-O 3.59Å; R732-E737 WeakPolarHBondContact CA-O 3.3Å; R732-E737 WeakPolarHBondContact CB-O 3.38Å; N733-E737 PolarHBondContact N-O 3.3Å; N733-E737 PolarHBondContact ND2-OE2 2.97Å; N733-E737 PolarHBondContact OD1-N 3.23Å; K735-E737 HydrophobicContact CB-CG 4.22Å; K735-E737 WeakPolarHBondContact CD-OE2 3.38Å
738	V	87.1	Confident	88.8	Confident	61 Å²	61	73.7 Å²	73.7	37%	0.37	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-90	121	-179.1	178.6	0	0	0	0	110.5	I731 R732 T763	I731-V738 HydrophobicContact CB-CG1 4.35Å; I731-V738 HydrophobicContact CD1-CG1 4.04Å; I731-V738 HydrophobicContact CD1-CG2 4.32Å; I731-V738 HydrophobicContact CG1-CG1 4.13Å; I731-V738 HydrophobicContact CG1-CG2 4.47Å; R732-V738 HydrophobicContact CG-CG2 4.18Å; V738-T763 HydrophobicContact CG1-CG2 4.06Å; V738-T763 HydrophobicContact CG2-CG2 4.04Å
739	E	89.9	Confident	88.9	Confident	71 Å²	71	76.8 Å²	76.8	33%	0.332	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-93.7	118.5	175.3	-75.7	173.8	-176	0	0	110.9	I731 N733 E741 K742 L743	I731-E739 PolarHBondContact O-N 2.97Å; N733-E739 HydrophobicContact CB-CG 4.08Å; N733-E739 WeakPolarHBondContact CB-OE1 3.5Å; E739-E741 VanDerWaalsContact C-N 3.31Å; E739-E741 PolarHBondContact O-N 2.95Å; E739-K742 HydrophobicContact CB-CB 4.36Å; E739-K742 HydrophobicContact CB-CD 4.2Å; E739-K742 HydrophobicContact CB-CG 4.28Å; E739-K742 PolarHBondContact O-N 3.12Å; E739-K742 VanDerWaalsContact O-N 3.15Å; E739-K742 IonicContact OE1-NZ 3.46Å; E739-K742 WeakPolarHBondContact OE2-CD 3.31Å; E739-K742 WeakPolarHBondContact OE2-CE 3.48Å; E739-K742 IonicContact OE2-NZ 2.72Å; E739-K742 PolarHBondContact OE2-NZ 3.37Å; E739-L743 PolarHBondContact O-N 2.9Å
740	Q	89.3	Confident	89.1	Confident	59 Å²	59	68.8 Å²	68.8	28%	0.276	33%	0.33	S	S	.	.	H	α-helix	trans	-57.7	-41.9	-179.6	-176.5	60.3	37	0	0	112	K742 L743 D744 G767	Q740-K742 VanDerWaalsContact C-N 3.27Å; Q740-K742 PolarHBondContact O-N 3.31Å; Q740-L743 PolarHBondContact O-N 3.45Å; Q740-D744 VanDerWaalsContact NE2-CG 3.35Å; Q740-D744 PolarHBondContact NE2-OD1 2.62Å; Q740-D744 PolarHBondContact NE2-OD2 2.94Å; Q740-D744 VanDerWaalsContact O-CB 3.29Å; Q740-D744 WeakPolarHBondContact O-CB 3.46Å; Q740-D744 PolarHBondContact O-N 2.88Å; Q740-G767 PolarHBondContact NE2-O 2.95Å
741	E	89.1	Confident	89.3	Confident	137 Å²	137	67.1 Å²	67.1	64%	0.64	32%	0.319	S	S	*	.	H	α-helix	trans	-59.4	-32.6	178.3	-71.8	-167.4	-155.5	0	0	114.6	E739 K745	E739-E741 VanDerWaalsContact C-N 3.31Å; E739-E741 PolarHBondContact O-N 2.95Å; E741-K745 WeakPolarHBondContact O-CD 3.46Å; E741-K745 VanDerWaalsContact O-CE 3.26Å; E741-K745 WeakPolarHBondContact O-CE 3.44Å; E741-K745 WeakPolarHBondContact O-CG 3.47Å; E741-K745 PolarHBondContact O-N 3.48Å; E741-K745 IonicContact OE2-NZ 2.66Å; E741-K745 PolarHBondContact OE2-NZ 3.44Å
742	K	90.1	Very high	89.4	Confident	69 Å²	69	67.1 Å²	67.1	30%	0.3	32%	0.319	S	S	.	.	H	α-helix	trans	-74.9	-44.7	177.2	-76.3	178.5	176.3	146.3	0	110.2	L730 R732 E739 Q740 D744 K745 I746	L730-K742 WeakPolarHBondContact O-CB 3.26Å; L730-K742 WeakPolarHBondContact O-CD 3.23Å; R732-K742 PolarHBondContact O-NZ 2.97Å; E739-K742 HydrophobicContact CB-CB 4.36Å; E739-K742 HydrophobicContact CB-CD 4.2Å; E739-K742 HydrophobicContact CB-CG 4.28Å; E739-K742 PolarHBondContact O-N 3.12Å; E739-K742 VanDerWaalsContact O-N 3.15Å; E739-K742 IonicContact OE1-NZ 3.46Å; E739-K742 WeakPolarHBondContact OE2-CD 3.31Å; E739-K742 WeakPolarHBondContact OE2-CE 3.48Å; E739-K742 IonicContact OE2-NZ 2.72Å; E739-K742 PolarHBondContact OE2-NZ 3.37Å; Q740-K742 VanDerWaalsContact C-N 3.27Å; Q740-K742 PolarHBondContact O-N 3.31Å; K742-D744 VanDerWaalsContact C-N 3.28Å; K742-D744 PolarHBondContact O-N 2.89Å; K742-K745 PolarHBondContact O-N 2.91Å; K742-I746 WeakPolarHBondContact O-CD1 3.43Å; K742-I746 WeakPolarHBondContact O-CG1 3.38Å
743	L	91	Very high	89.6	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.6	-40.1	174.6	179.2	143.4	0	0	0	111.6	F727 I731 E739 Q740 K745 I746 W747 G767	F727-L743 HydrophobicContact CE2-CD1 4.46Å; F727-L743 HydrophobicContact CZ-CD1 4.09Å; I731-L743 HydrophobicContact CB-CB 4.33Å; I731-L743 HydrophobicContact CG2-CB 3.89Å; I731-L743 HydrophobicContact CG2-CD1 4.41Å; I731-L743 HydrophobicContact CG2-CG 4.41Å; E739-L743 PolarHBondContact O-N 2.9Å; Q740-L743 PolarHBondContact O-N 3.45Å; L743-K745 VanDerWaalsContact C-N 3.3Å; L743-K745 PolarHBondContact O-N 3.09Å; L743-I746 PolarHBondContact O-N 3.43Å; L743-W747 HydrophobicContact CD2-CB 4.5Å; L743-W747 HydrophobicContact CD2-CG 4.36Å; L743-W747 PolarHBondContact O-N 3.13Å; L743-G767 VanDerWaalsContact CD2-C 3.49Å; L743-G767 WeakPolarHBondContact CD2-O 3.12Å
744	D	90.9	Very high	89.7	Confident	16 Å²	16	61.1 Å²	61.1	9%	0.086	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-31.2	178	-86.1	-20.3	0	0	0	114.2	Q740 K742 I746 W747 P748 S771 V773	Q740-D744 VanDerWaalsContact NE2-CG 3.35Å; Q740-D744 PolarHBondContact NE2-OD1 2.62Å; Q740-D744 PolarHBondContact NE2-OD2 2.94Å; Q740-D744 VanDerWaalsContact O-CB 3.29Å; Q740-D744 WeakPolarHBondContact O-CB 3.46Å; Q740-D744 PolarHBondContact O-N 2.88Å; K742-D744 VanDerWaalsContact C-N 3.28Å; K742-D744 PolarHBondContact O-N 2.89Å; D744-I746 PolarHBondContact O-N 3.09Å; D744-W747 PolarHBondContact OD1-NE1 2.89Å; D744-P748 VanDerWaalsContact O-CD 3.23Å; D744-P748 WeakPolarHBondContact O-CD 3.4Å; D744-P748 WeakPolarHBondContact O-CG 3.26Å; D744-S771 WeakPolarHBondContact OD1-CB 3.28Å; D744-S771 PolarHBondContact OD1-OG 3.18Å; D744-V773 HydrophobicContact CB-CG2 3.41Å; D744-V773 VanDerWaalsContact CB-CG2 3.41Å; D744-V773 VanDerWaalsContact CG-CG2 3.42Å
745	K	90.1	Very high	89.6	Confident	148 Å²	148	57.2 Å²	57.2	64%	0.643	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-12.7	173.9	-67.5	156	-165.7	160.2	0	112.6	E741 K742 L743	E741-K745 WeakPolarHBondContact O-CD 3.46Å; E741-K745 VanDerWaalsContact O-CE 3.26Å; E741-K745 WeakPolarHBondContact O-CE 3.44Å; E741-K745 WeakPolarHBondContact O-CG 3.47Å; E741-K745 PolarHBondContact O-N 3.48Å; E741-K745 IonicContact OE2-NZ 2.66Å; E741-K745 PolarHBondContact OE2-NZ 3.44Å; K742-K745 PolarHBondContact O-N 2.91Å; L743-K745 VanDerWaalsContact C-N 3.3Å; L743-K745 PolarHBondContact O-N 3.09Å
746	I	91.3	Very high	89.8	Confident	19 Å²	19	49.6 Å²	49.6	10%	0.097	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-49.9	-168.6	-61.1	165.3	0	0	0	112.8	L720 L722 L730 I731 K742 L743 D744 P748 K749 L750	L720-I746 HydrophobicContact CD1-CG2 4.37Å; L722-I746 HydrophobicContact CD1-CG2 3.8Å; L730-I746 HydrophobicContact CB-CD1 3.63Å; L730-I746 HydrophobicContact CD1-CD1 4.44Å; I731-I746 HydrophobicContact CG2-CD1 4.11Å; K742-I746 WeakPolarHBondContact O-CD1 3.43Å; K742-I746 WeakPolarHBondContact O-CG1 3.38Å; L743-I746 PolarHBondContact O-N 3.43Å; D744-I746 PolarHBondContact O-N 3.09Å; I746-P748 VanDerWaalsContact C-N 3.32Å; I746-K749 PolarHBondContact O-N 2.6Å; I746-K749 VanDerWaalsContact O-N 3.17Å; I746-L750 PolarHBondContact O-N 3.27Å
747	W	91	Very high	89.7	Confident	18 Å²	18	50.2 Å²	50.2	7%	0.068	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.8	-173	81.2	-98.8	0	0	0	115.4	R693 L743 D744 K749 L750 L764 I768 S771 V773 Q778	R693-W747 PolarHBondContact NE-O 3.26Å; R693-W747 VanDerWaalsContact NH2-CE3 3.25Å; R693-W747 PolarHBondContact NH2-O 3.23Å; L743-W747 HydrophobicContact CD2-CB 4.5Å; L743-W747 HydrophobicContact CD2-CG 4.36Å; L743-W747 PolarHBondContact O-N 3.13Å; D744-W747 PolarHBondContact OD1-NE1 2.89Å; W747-K749 PolarHBondContact O-N 3.3Å; W747-L750 PolarHBondContact O-N 3Å; W747-L764 HydrophobicContact CB-CD1 4.25Å; W747-I768 HydrophobicContact CB-CG1 4.01Å; W747-I768 HydrophobicContact CD2-CG1 3.86Å; W747-I768 HydrophobicContact CD2-CG2 4.39Å; W747-I768 HydrophobicContact CE3-CB 4.45Å; W747-I768 HydrophobicContact CE3-CD1 4.31Å; W747-I768 HydrophobicContact CE3-CG1 3.82Å; W747-I768 HydrophobicContact CE3-CG2 3.94Å; W747-I768 HydrophobicContact CG-CG1 3.91Å; W747-I768 HydrophobicContact CH2-CG2 4.44Å; W747-I768 HydrophobicContact CZ3-CG2 3.97Å; W747-S771 WeakPolarHBondContact CZ2-OG 3.5Å; W747-S771 PolarHBondContact NE1-OG 3.47Å; W747-V773 HydrophobicContact CZ2-CB 4.45Å; W747-Q778 HydrophobicContact CH2-CG 3.66Å; W747-Q778 HydrophobicContact CZ2-CG 4.25Å; W747-Q778 HydrophobicContact CZ3-CG 4.28Å
748	P	91.4	Very high	89.4	Confident	46 Å²	46	47.3 Å²	47.3	30%	0.299	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-38.5	176.7	-24.5	36.4	0	0	0	112.9	D744 I746 R751 V773	D744-P748 VanDerWaalsContact O-CD 3.23Å; D744-P748 WeakPolarHBondContact O-CD 3.4Å; D744-P748 WeakPolarHBondContact O-CG 3.26Å; I746-P748 VanDerWaalsContact C-N 3.32Å; P748-R751 PolarHBondContact O-NH1 3.04Å; P748-R751 PolarHBondContact O-NH2 3.04Å; P748-R751 VanDerWaalsContact O-NH2 3.07Å; P748-V773 HydrophobicContact CG-CG1 4.35Å
749	K	92.3	Very high	89.2	Confident	92 Å²	92	48.7 Å²	48.7	40%	0.4	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-24	175.6	-72.2	-164.9	177.1	-171.2	0	114	D718 L720 I746 W747 R751	D718-K749 IonicContact OD2-NZ 2.74Å; D718-K749 PolarHBondContact OD2-NZ 2.97Å; L720-K749 HydrophobicContact CD1-CB 3.89Å; L720-K749 HydrophobicContact CG-CB 3.9Å; L720-K749 PolarHBondContact N-O 3.33Å; I746-K749 PolarHBondContact O-N 2.6Å; I746-K749 VanDerWaalsContact O-N 3.17Å; W747-K749 PolarHBondContact O-N 3.3Å; K749-R751 PolarHBondContact O-N 3.44Å
750	L	94.3	Very high	89.1	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	125.3	179.9	-171.5	61.4	0	0	0	111.7	R693 L720 L722 F727 I746 W747 V752 L764	R693-L750 PolarHBondContact NE-O 3.19Å; L720-L750 HydrophobicContact CB-CD1 4.38Å; L722-L750 HydrophobicContact CB-CD1 4.15Å; L722-L750 HydrophobicContact CD1-CD1 3.99Å; L722-L750 HydrophobicContact CG-CD1 3.95Å; F727-L750 HydrophobicContact CD2-CD2 4.38Å; F727-L750 HydrophobicContact CE2-CD2 4.29Å; I746-L750 PolarHBondContact O-N 3.27Å; W747-L750 PolarHBondContact O-N 3Å; L750-V752 WeakPolarHBondContact CD1-O 3.45Å; L750-L764 HydrophobicContact CD2-CD1 3.95Å; L750-L764 HydrophobicContact CD2-CD2 4.14Å
751	R	95	Very high	89	Confident	26 Å²	26	43.6 Å²	43.6	10%	0.098	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	-27.8	174.9	-67.6	-66.1	170.4	-83.3	-5.9	113.5	R693 M694 I712 L713 F719 L720 P748 K749	R693-R751 CarbonylContact C-O 3.57Å; R693-R751 WeakPolarHBondContact CA-O 3.46Å; M694-R751 PolarHBondContact N-O 2.87Å; I712-R751 HydrophobicContact CG2-CB 4.24Å; L713-R751 HydrophobicContact CD2-CB 3.73Å; L713-R751 HydrophobicContact CD2-CG 4.15Å; F719-R751 HydrophobicContact CB-CB 4.32Å; F719-R751 HydrophobicContact CB-CG 3.59Å; F719-R751 HydrophobicContact CD1-CG 4.19Å; F719-R751 HydrophobicContact CD2-CG 3.83Å; F719-R751 HydrophobicContact CG-CG 3.6Å; L720-R751 PolarHBondContact O-N 3.21Å; P748-R751 PolarHBondContact O-NH1 3.04Å; P748-R751 PolarHBondContact O-NH2 3.04Å; P748-R751 VanDerWaalsContact O-NH2 3.07Å; K749-R751 PolarHBondContact O-N 3.44Å
752	V	95.1	Very high	89	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119.3	178.8	-177.1	0	0	0	0	109.4	M694 A703 A707 L713 L720 C721 L722 L750 A754	M694-V752 HydrophobicContact CB-CG2 4.47Å; M694-V752 WeakPolarHBondContact O-CA 3.4Å; M694-V752 HydrophobicContact SD-CG1 4.5Å; A703-V752 HydrophobicContact CB-CG1 3.57Å; A707-V752 HydrophobicContact CB-CG2 3.54Å; L713-V752 HydrophobicContact CD1-CG2 4.02Å; L713-V752 HydrophobicContact CG-CG2 4.35Å; L720-V752 PolarHBondContact O-N 3.01Å; C721-V752 WeakPolarHBondContact CA-O 3.45Å; C721-V752 HydrophobicContact CB-CB 4.08Å; L722-V752 PolarHBondContact N-O 3.31Å; L750-V752 WeakPolarHBondContact CD1-O 3.45Å; V752-A754 HydrophobicContact CG1-CB 4.5Å
753	L	94.6	Very high	89	Confident	1 Å²	1	38 Å²	38	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	107.9	165.1	-174.1	65.6	0	0	0	108.2	M694 V695 T696 L722 F727 D760 L764	M694-L753 PolarHBondContact O-N 3.35Å; V695-L753 WeakPolarHBondContact CA-O 3.49Å; V695-L753 HydrophobicContact CG1-CB 4.27Å; V695-L753 HydrophobicContact CG1-CD2 4.12Å; T696-L753 PolarHBondContact N-O 3.31Å; L722-L753 HydrophobicContact CB-CD1 4.26Å; F727-L753 HydrophobicContact CB-CD1 3.55Å; F727-L753 HydrophobicContact CD1-CD1 4.07Å; F727-L753 HydrophobicContact CD1-CD2 3.98Å; F727-L753 HydrophobicContact CD2-CD1 4.4Å; F727-L753 HydrophobicContact CE1-CD2 4.17Å; F727-L753 HydrophobicContact CG-CD1 3.77Å; F727-L753 HydrophobicContact CG-CD2 4.42Å; L753-D760 HydrophobicContact CD2-CB 4.23Å; L753-L764 HydrophobicContact CD2-CD2 4.1Å
754	A	89.4	Confident	89.2	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	159.8	-178.1	0	0	0	0	0	111.1	T696 D698 I700 A703 L722 E723 G724 V752 S756	T696-A754 CarbonylContact O-C 3.59Å; T696-A754 VanDerWaalsContact O-C 3.29Å; T696-A754 WeakPolarHBondContact O-CA 3.43Å; D698-A754 WeakPolarHBondContact O-CB 3.38Å; I700-A754 VanDerWaalsContact CA-CB 3.46Å; I700-A754 HydrophobicContact CB-CB 3.81Å; I700-A754 HydrophobicContact CG1-CB 4.21Å; A703-A754 HydrophobicContact CB-CB 3.99Å; L722-A754 PolarHBondContact O-N 3.18Å; E723-A754 CarbonylContact C-O 3.54Å; E723-A754 VanDerWaalsContact CA-O 3.25Å; E723-A754 WeakPolarHBondContact CA-O 3.23Å; G724-A754 PolarHBondContact N-O 3.1Å; V752-A754 HydrophobicContact CG1-CB 4.5Å; A754-S756 PolarHBondContact O-N 3.32Å; A754-S756 VanDerWaalsContact O-N 3.11Å
755	R	83.1	Confident	89.3	Confident	126 Å²	126	37.4 Å²	37.4	48%	0.475	19%	0.186	S	C	.	.	S	Bend	trans	45.9	37.2	-172.3	-59.7	-171.8	178.5	155.6	-4.1	113.2	T696 G697 D698 E723	T696-R755 PolarHBondContact O-N 2.97Å; G697-R755 WeakPolarHBondContact O-CA 3.33Å; D698-R755 WeakPolarHBondContact O-CG 3.39Å; D698-R755 PolarHBondContact O-N 2.92Å; E723-R755 VanDerWaalsContact CD-NH1 3.31Å; E723-R755 WeakPolarHBondContact OE1-CD 3.41Å; E723-R755 IonicContact OE1-CZ 3.95Å; E723-R755 IonicContact OE1-NE 2.7Å; E723-R755 PolarHBondContact OE1-NE 2.81Å; E723-R755 IonicContact OE1-NH1 2.65Å; E723-R755 PolarHBondContact OE1-NH1 3.35Å; E723-R755 IonicContact OE1-NH2 3.45Å; E723-R755 IonicContact OE2-CZ 2.74Å; E723-R755 IonicContact OE2-NE 3.87Å; E723-R755 IonicContact OE2-NH1 3.32Å; E723-R755 PolarHBondContact OE2-NH1 3.48Å
756	S	84	Confident	89.4	Confident	12 Å²	12	34.9 Å²	34.9	8%	0.084	18%	0.176	C	C	.	.			trans	-72.8	129.2	179.5	65.5	0	0	0	0	110.9	T696 A754	T696-S756 PolarHBondContact N-OG 3.3Å; T696-S756 PolarHBondContact O-N 2.87Å; T696-S756 PolarHBondContact O-OG 2.91Å; A754-S756 PolarHBondContact O-N 3.32Å; A754-S756 VanDerWaalsContact O-N 3.11Å
757	S	79.6	Confident	89.4	Confident	43 Å²	43	34.1 Å²	34.1	30%	0.301	17%	0.173	S	C	.	.			trans	-76.5	164.3	163.5	67.7	0	0	0	0	111.5	T759 D760 K761	S757-T759 PolarHBondContact O-N 2.76Å; S757-T759 PolarHBondContact OG-OG1 3.39Å; S757-T759 VanDerWaalsContact OG-OG1 3.08Å; S757-D760 WeakPolarHBondContact CB-OD2 3.45Å; S757-D760 PolarHBondContact N-OD2 2.93Å; S757-D760 WeakPolarHBondContact O-CB 3.46Å; S757-D760 PolarHBondContact O-N 2.84Å; S757-D760 VanDerWaalsContact O-N 3.07Å; S757-D760 PolarHBondContact OG-N 2.97Å; S757-D760 PolarHBondContact OG-OD1 2.97Å; S757-D760 PolarHBondContact OG-OD2 3.36Å; S757-K761 PolarHBondContact O-N 3.45Å; S757-K761 VanDerWaalsContact O-N 3.16Å
758	P	78.9	Confident	89.5	Confident	47 Å²	47	33.3 Å²	33.3	31%	0.305	17%	0.169	S	C	.	.	H	α-helix	trans	-53.3	-40.6	175.5	-29.3	37.4	0	0	0	113.4	K761 H762 N788	P758-K761 WeakPolarHBondContact O-CB 3.27Å; P758-K761 PolarHBondContact O-N 3.27Å; P758-H762 PolarHBondContact O-N 3.3Å; P758-H762 VanDerWaalsContact O-N 3.1Å; P758-N788 WeakPolarHBondContact CB-O 3.46Å; P758-N788 HydrophobicContact CG-CB 3.9Å; P758-N788 WeakPolarHBondContact CG-OD1 3.39Å
759	T	82.3	Confident	89.4	Confident	90 Å²	90	31.5 Å²	31.5	55%	0.552	16%	0.157	S	C	*	.	H	α-helix	trans	-68.7	-34.6	178.1	44	0	0	0	0	111.8	S757 K761 H762 T763	S757-T759 PolarHBondContact O-N 2.76Å; S757-T759 PolarHBondContact OG-OG1 3.39Å; S757-T759 VanDerWaalsContact OG-OG1 3.08Å; T759-K761 VanDerWaalsContact C-N 3.34Å; T759-K761 PolarHBondContact O-N 2.82Å; T759-H762 PolarHBondContact O-N 3.19Å; T759-T763 WeakPolarHBondContact O-CB 3.16Å; T759-T763 PolarHBondContact O-N 3.48Å; T759-T763 PolarHBondContact O-OG1 2.95Å
760	D	87.9	Confident	89.2	Confident	7 Å²	7	30.3 Å²	30.3	4%	0.037	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-40.1	173.1	-56.4	-33.4	0	0	0	111.9	N728 L753 S757 T763 L764	N728-D760 PolarHBondContact ND2-OD1 3.39Å; L753-D760 HydrophobicContact CD2-CB 4.23Å; S757-D760 WeakPolarHBondContact CB-OD2 3.45Å; S757-D760 PolarHBondContact N-OD2 2.93Å; S757-D760 WeakPolarHBondContact O-CB 3.46Å; S757-D760 PolarHBondContact O-N 2.84Å; S757-D760 VanDerWaalsContact O-N 3.07Å; S757-D760 PolarHBondContact OG-N 2.97Å; S757-D760 PolarHBondContact OG-OD1 2.97Å; S757-D760 PolarHBondContact OG-OD2 3.36Å; D760-T763 PolarHBondContact O-N 3.04Å; D760-L764 WeakPolarHBondContact O-CB 3.38Å; D760-L764 PolarHBondContact O-N 3.35Å
761	K	88.4	Confident	88.9	Confident	16 Å²	16	30.5 Å²	30.5	7%	0.07	16%	0.157	C	C	.	.	H	α-helix	trans	-59.9	-51.1	174.7	-56.4	-152.1	176.2	-175.2	0	110.5	D465 V695 S757 P758 T759 L764 V765 D789 A792	D465-K761 IonicContact OD1-NZ 2.76Å; D465-K761 PolarHBondContact OD1-NZ 3.41Å; V695-K761 HydrophobicContact CG1-CB 4.33Å; V695-K761 HydrophobicContact CG1-CD 3.99Å; V695-K761 HydrophobicContact CG1-CG 3.68Å; V695-K761 PolarHBondContact O-NZ 3.35Å; S757-K761 PolarHBondContact O-N 3.45Å; S757-K761 VanDerWaalsContact O-N 3.16Å; P758-K761 WeakPolarHBondContact O-CB 3.27Å; P758-K761 PolarHBondContact O-N 3.27Å; T759-K761 VanDerWaalsContact C-N 3.34Å; T759-K761 PolarHBondContact O-N 2.82Å; K761-L764 PolarHBondContact O-N 3.27Å; K761-V765 VanDerWaalsContact O-CG2 3.28Å; K761-V765 WeakPolarHBondContact O-CG2 3.32Å; K761-V765 PolarHBondContact O-N 2.96Å; K761-D789 WeakPolarHBondContact CE-OD1 3.49Å; K761-D789 IonicContact NZ-OD1 2.63Å; K761-D789 PolarHBondContact NZ-OD1 3.17Å; K761-A792 HydrophobicContact CB-CB 3.81Å
762	H	88.4	Confident	88.2	Confident	62 Å²	62	35 Å²	35	29%	0.287	19%	0.187	S	C	.	.	H	α-helix	trans	-60	-46.3	177.7	178.2	96.6	0	0	0	112	P758 T759 L764 V765 K766 P791	P758-H762 PolarHBondContact O-N 3.3Å; P758-H762 VanDerWaalsContact O-N 3.1Å; T759-H762 PolarHBondContact O-N 3.19Å; H762-L764 PolarHBondContact O-N 3.04Å; H762-V765 PolarHBondContact O-N 3.34Å; H762-K766 WeakPolarHBondContact O-CB 3.15Å; H762-K766 PolarHBondContact O-N 3.08Å; H762-P791 PolarHBondContact ND1-O 3.04Å
763	T	90.9	Very high	87.7	Confident	26 Å²	26	39 Å²	39	16%	0.16	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-42.4	179.2	-64.2	0	0	0	0	111.9	I731 V738 T759 D760 G767	I731-T763 HydrophobicContact CD1-CG2 3.72Å; V738-T763 HydrophobicContact CG1-CG2 4.06Å; V738-T763 HydrophobicContact CG2-CG2 4.04Å; T759-T763 WeakPolarHBondContact O-CB 3.16Å; T759-T763 PolarHBondContact O-N 3.48Å; T759-T763 PolarHBondContact O-OG1 2.95Å; D760-T763 PolarHBondContact O-N 3.04Å; T763-G767 PolarHBondContact O-N 3.38Å
764	L	93.5	Very high	86.7	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-65.1	-45.3	175.5	179.2	61.7	0	0	0	111.8	V695 F727 W747 L750 L753 D760 K761 H762 G767 I768	V695-L764 HydrophobicContact CG2-CD2 3.88Å; F727-L764 HydrophobicContact CE1-CB 4.3Å; F727-L764 HydrophobicContact CE2-CD1 4.22Å; F727-L764 HydrophobicContact CZ-CB 3.97Å; F727-L764 HydrophobicContact CZ-CD1 4.01Å; W747-L764 HydrophobicContact CB-CD1 4.25Å; L750-L764 HydrophobicContact CD2-CD1 3.95Å; L750-L764 HydrophobicContact CD2-CD2 4.14Å; L753-L764 HydrophobicContact CD2-CD2 4.1Å; D760-L764 WeakPolarHBondContact O-CB 3.38Å; D760-L764 PolarHBondContact O-N 3.35Å; K761-L764 PolarHBondContact O-N 3.27Å; H762-L764 PolarHBondContact O-N 3.04Å; L764-G767 PolarHBondContact O-N 3.07Å; L764-I768 HydrophobicContact CD1-CD1 3.8Å; L764-I768 HydrophobicContact CD1-CG1 4.13Å; L764-I768 HydrophobicContact CG-CD1 3.92Å; L764-I768 VanDerWaalsContact O-CG1 3.27Å; L764-I768 WeakPolarHBondContact O-CG1 3.38Å; L764-I768 PolarHBondContact O-N 3.07Å
765	V	93.3	Very high	85.8	Confident	3 Å²	3	50 Å²	50	2%	0.018	27%	0.273	C	S	.	.	H	α-helix	trans	-63.2	-49.2	179.8	169.7	0	0	0	0	111	C463 K761 H762 G767 I768 I769 V780 V782	C463-V765 HydrophobicContact CB-CG2 4.38Å; K761-V765 VanDerWaalsContact O-CG2 3.28Å; K761-V765 WeakPolarHBondContact O-CG2 3.32Å; K761-V765 PolarHBondContact O-N 2.96Å; H762-V765 PolarHBondContact O-N 3.34Å; V765-G767 PolarHBondContact O-N 3.38Å; V765-I768 PolarHBondContact O-N 2.71Å; V765-I769 HydrophobicContact CG1-CD1 3.95Å; V765-I769 WeakPolarHBondContact O-CB 3.48Å; V765-I769 WeakPolarHBondContact O-CG1 3.37Å; V765-I769 PolarHBondContact O-N 3.08Å; V765-V780 HydrophobicContact CG1-CG1 4.22Å; V765-V782 HydrophobicContact CB-CG2 4.36Å; V765-V782 HydrophobicContact CG1-CG2 3.9Å; V765-V782 HydrophobicContact CG2-CG2 3.46Å; V765-V782 VanDerWaalsContact CG2-CG2 3.46Å
766	K	91.8	Very high	85.4	Confident	96 Å²	96	48.1 Å²	48.1	42%	0.417	27%	0.269	S	S	.	.	H	α-helix	trans	-57.1	-48.8	174	-178.8	-177	176.2	-169.6	0	111.2	H762 I768 I769 D770 K795	H762-K766 WeakPolarHBondContact O-CB 3.15Å; H762-K766 PolarHBondContact O-N 3.08Å; K766-I768 VanDerWaalsContact C-N 3.33Å; K766-I768 PolarHBondContact O-N 2.89Å; K766-I769 WeakPolarHBondContact O-CA 3.2Å; K766-I769 WeakPolarHBondContact O-CB 3.28Å; K766-I769 PolarHBondContact O-N 3.19Å; K766-I769 VanDerWaalsContact O-N 3.07Å; K766-D770 WeakPolarHBondContact CE-OD2 3.38Å; K766-D770 WeakPolarHBondContact CG-OD2 3.48Å; K766-D770 WeakPolarHBondContact O-CB 3.42Å; K766-D770 PolarHBondContact O-N 3.25Å; K766-K795 HydrophobicContact CB-CG 4.36Å
767	G	91.4	Very high	85.5	Confident	3 Å²	3	51.4 Å²	51.4	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-62.2	-35	-177.9	0	0	0	0	0	114.2	Q740 L743 T763 L764 V765 S771	Q740-G767 PolarHBondContact NE2-O 2.95Å; L743-G767 VanDerWaalsContact CD2-C 3.49Å; L743-G767 WeakPolarHBondContact CD2-O 3.12Å; T763-G767 PolarHBondContact O-N 3.38Å; L764-G767 PolarHBondContact O-N 3.07Å; V765-G767 PolarHBondContact O-N 3.38Å; G767-S771 WeakPolarHBondContact O-CB 3.29Å; G767-S771 PolarHBondContact O-N 3.36Å
768	I	93.1	Very high	85.9	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-72.9	-36.4	173.3	-61.6	165.8	0	0	0	110.9	W747 L764 V765 K766 Q778 V780	W747-I768 HydrophobicContact CB-CG1 4.01Å; W747-I768 HydrophobicContact CD2-CG1 3.86Å; W747-I768 HydrophobicContact CD2-CG2 4.39Å; W747-I768 HydrophobicContact CE3-CB 4.45Å; W747-I768 HydrophobicContact CE3-CD1 4.31Å; W747-I768 HydrophobicContact CE3-CG1 3.82Å; W747-I768 HydrophobicContact CE3-CG2 3.94Å; W747-I768 HydrophobicContact CG-CG1 3.91Å; W747-I768 HydrophobicContact CH2-CG2 4.44Å; W747-I768 HydrophobicContact CZ3-CG2 3.97Å; L764-I768 HydrophobicContact CD1-CD1 3.8Å; L764-I768 HydrophobicContact CD1-CG1 4.13Å; L764-I768 HydrophobicContact CG-CD1 3.92Å; L764-I768 VanDerWaalsContact O-CG1 3.27Å; L764-I768 WeakPolarHBondContact O-CG1 3.38Å; L764-I768 PolarHBondContact O-N 3.07Å; V765-I768 PolarHBondContact O-N 2.71Å; K766-I768 VanDerWaalsContact C-N 3.33Å; K766-I768 PolarHBondContact O-N 2.89Å; I768-Q778 HydrophobicContact CG2-CB 3.83Å; I768-Q778 HydrophobicContact CG2-CG 4Å; I768-V780 HydrophobicContact CB-CG2 3.92Å; I768-V780 HydrophobicContact CG2-CG2 3.45Å; I768-V780 VanDerWaalsContact CG2-CG2 3.45Å
769	I	90.1	Very high	86.5	Confident	9 Å²	9	48.9 Å²	48.9	5%	0.046	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-37.8	177.6	-82.5	173.5	0	0	0	112.8	V765 K766 R777 V780 K795	V765-I769 HydrophobicContact CG1-CD1 3.95Å; V765-I769 WeakPolarHBondContact O-CB 3.48Å; V765-I769 WeakPolarHBondContact O-CG1 3.37Å; V765-I769 PolarHBondContact O-N 3.08Å; K766-I769 WeakPolarHBondContact O-CA 3.2Å; K766-I769 WeakPolarHBondContact O-CB 3.28Å; K766-I769 PolarHBondContact O-N 3.19Å; K766-I769 VanDerWaalsContact O-N 3.07Å; I769-R777 WeakPolarHBondContact O-CD 3.27Å; I769-R777 WeakPolarHBondContact O-CG 3.4Å; I769-R777 PolarHBondContact O-NE 3.27Å; I769-V780 HydrophobicContact CD1-CB 4.23Å; I769-V780 HydrophobicContact CD1-CG2 4.48Å; I769-V780 HydrophobicContact CG1-CB 3.96Å; I769-V780 HydrophobicContact CG1-CG2 3.69Å; I769-K795 WeakPolarHBondContact CD1-O 3.39Å
770	D	88	Confident	87.1	Confident	66 Å²	66	44.6 Å²	44.6	35%	0.353	23%	0.233	S	C	.	.	H	α-helix	trans	-91.1	-5.2	-178.1	-66.6	-28.9	0	0	0	112.8	K766	K766-D770 WeakPolarHBondContact CE-OD2 3.38Å; K766-D770 WeakPolarHBondContact CG-OD2 3.48Å; K766-D770 WeakPolarHBondContact O-CB 3.42Å; K766-D770 PolarHBondContact O-N 3.25Å
771	S	87.9	Confident	87.5	Confident	7 Å²	7	44.3 Å²	44.3	5%	0.049	23%	0.231	C	C	.	.			trans	-67.6	141.4	-177.8	-175.4	0	0	0	0	114.7	D744 W747 G767 V773	D744-S771 WeakPolarHBondContact OD1-CB 3.28Å; D744-S771 PolarHBondContact OD1-OG 3.18Å; W747-S771 WeakPolarHBondContact CZ2-OG 3.5Å; W747-S771 PolarHBondContact NE1-OG 3.47Å; G767-S771 WeakPolarHBondContact O-CB 3.29Å; G767-S771 PolarHBondContact O-N 3.36Å; S771-V773 PolarHBondContact OG-N 3.17Å
772	T	81.3	Confident	87.8	Confident	119 Å²	119	43.7 Å²	43.7	73%	0.73	23%	0.229	S	C	*	.			trans	-111.2	4.4	177.4	55.8	0	0	0	0	114.3	G774	T772-G774 PolarHBondContact O-N 2.91Å
773	V	82.9	Confident	88	Confident	86 Å²	86	40.9 Å²	40.9	52%	0.521	22%	0.216	S	C	.	.	S	Bend	trans	-64	-24.8	-174	178.1	0	0	0	0	113.7	D744 W747 P748 S771	D744-V773 HydrophobicContact CB-CG2 3.41Å; D744-V773 VanDerWaalsContact CB-CG2 3.41Å; D744-V773 VanDerWaalsContact CG-CG2 3.42Å; W747-V773 HydrophobicContact CZ2-CB 4.45Å; P748-V773 HydrophobicContact CG-CG1 4.35Å; S771-V773 PolarHBondContact OG-N 3.17Å
774	G	74.3	Confident	87.7	Confident	36 Å²	36	39.6 Å²	39.6	37%	0.371	21%	0.209	S	C	.	.	S	Bend	trans	-105.5	154.8	174.1	0	0	0	0	0	111.9	T772 Q776	T772-G774 PolarHBondContact O-N 2.91Å; G774-Q776 PolarHBondContact O-N 2.74Å
775	E	70.5	Confident	87.1	Confident	196 Å²	196	40.8 Å²	40.8	92%	0.916	22%	0.215	S	C	*	.	S	Bend	trans	-51.6	-13.5	174.5	-58.8	177.8	165.8	0	0	114.9
776	Q	75.9	Confident	86.1	Confident	85 Å²	85	41.1 Å²	41.1	40%	0.397	22%	0.219	S	C	.	.	S	Bend	trans	-141.2	135.8	-176.9	-57	-176.6	5.1	0	0	110.2	G774 Q778	G774-Q776 PolarHBondContact O-N 2.74Å; Q776-Q778 PolarHBondContact O-N 2.95Å; Q776-Q778 PolarHBondContact O-NE2 3.15Å
777	R	85.1	Confident	85	Confident	81 Å²	81	37 Å²	37	31%	0.306	20%	0.202	S	C	.	.			trans	-52	131.9	168.2	174.3	174.5	173.3	-108.3	-36.9	109.7	I769 D797 R907	I769-R777 WeakPolarHBondContact O-CD 3.27Å; I769-R777 WeakPolarHBondContact O-CG 3.4Å; I769-R777 PolarHBondContact O-NE 3.27Å; R777-D797 IonicContact CZ-OD1 2.98Å; R777-D797 IonicContact NH1-OD1 3.86Å; R777-D797 IonicContact NH2-OD1 3.17Å; R777-D797 PolarHBondContact NH2-OD1 3.47Å; R777-D797 IonicContact NH2-OD2 3.69Å; R777-D797 PolarHBondContact NH2-OD2 2.87Å; R777-R907 VanDerWaalsContact NH1-NH1 3.14Å
778	Q	88.9	Confident	84.2	Confident	35 Å²	35	41 Å²	41	16%	0.164	22%	0.222	C	C	.	.			trans	-70.4	148.5	178.2	-58.9	-56.5	-69.3	0	0	111.5	T460 W747 I768 Q776 V780	T460-Q778 VanDerWaalsContact CB-OE1 3.28Å; T460-Q778 WeakPolarHBondContact OG1-CB 3.47Å; T460-Q778 PolarHBondContact OG1-OE1 3.49Å; W747-Q778 HydrophobicContact CH2-CG 3.66Å; W747-Q778 HydrophobicContact CZ2-CG 4.25Å; W747-Q778 HydrophobicContact CZ3-CG 4.28Å; I768-Q778 HydrophobicContact CG2-CB 3.83Å; I768-Q778 HydrophobicContact CG2-CG 4Å; Q776-Q778 PolarHBondContact O-N 2.95Å; Q776-Q778 PolarHBondContact O-NE2 3.15Å; Q778-V780 HydrophobicContact CB-CG2 4.32Å
779	V	91.4	Very high	83.6	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.012	22%	0.223	C	C	.	.			trans	-110.5	112.1	171.3	178.2	0	0	0	0	106.8	T455 N458 T460 A461 D797 R907	T455-V779 HydrophobicContact CG2-CG1 3.9Å; N458-V779 HydrophobicContact CB-CG2 4.18Å; N458-V779 WeakPolarHBondContact O-CB 3.42Å; T460-V779 PolarHBondContact N-O 2.91Å; T460-V779 PolarHBondContact OG1-N 3.27Å; T460-V779 VanDerWaalsContact OG1-N 3.12Å; T460-V779 PolarHBondContact OG1-O 3.29Å; A461-V779 PolarHBondContact N-O 2.96Å; V779-D797 WeakPolarHBondContact CA-OD2 3.25Å; V779-D797 HydrophobicContact CG1-CB 3.72Å; V779-R907 HydrophobicContact CG2-CG 4.02Å
780	V	94.3	Very high	83.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	116.8	-170	-175	0	0	0	0	110.1	A461 V765 I768 I769 Q778 V782 D797 V798	A461-V780 HydrophobicContact CB-CG2 4.47Å; V765-V780 HydrophobicContact CG1-CG1 4.22Å; I768-V780 HydrophobicContact CB-CG2 3.92Å; I768-V780 HydrophobicContact CG2-CG2 3.45Å; I768-V780 VanDerWaalsContact CG2-CG2 3.45Å; I769-V780 HydrophobicContact CD1-CB 4.23Å; I769-V780 HydrophobicContact CD1-CG2 4.48Å; I769-V780 HydrophobicContact CG1-CB 3.96Å; I769-V780 HydrophobicContact CG1-CG2 3.69Å; Q778-V780 HydrophobicContact CB-CG2 4.32Å; V780-V782 HydrophobicContact CG1-CG2 4.33Å; V780-D797 PolarHBondContact N-OD2 2.89Å; V780-D797 PolarHBondContact O-N 3Å; V780-V798 PolarHBondContact O-N 3.26Å
781	A	95.8	Very high	82.8	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	145.4	165.4	0	0	0	0	0	110.5	M456 A461 I462 C463 V798 F800	M456-A781 HydrophobicContact CE-CB 3.88Å; M456-A781 HydrophobicContact SD-CB 3.79Å; A461-A781 PolarHBondContact O-N 3.37Å; I462-A781 CarbonylContact C-O 3.59Å; I462-A781 WeakPolarHBondContact CA-O 3.34Å; I462-A781 HydrophobicContact CG1-CB 4.21Å; C463-A781 PolarHBondContact N-O 2.92Å; A781-V798 CarbonylContact C-O 3.58Å; A781-V798 WeakPolarHBondContact CA-O 3.49Å; A781-V798 HydrophobicContact CB-CB 4.35Å; A781-F800 HydrophobicContact CB-CD2 4.37Å; A781-F800 HydrophobicContact CB-CE2 4.08Å
782	V	95.3	Very high	82.7	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.024	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.5	178.2	177.6	0	0	0	0	109.6	C463 V765 V780 A792 L793 A796 V798 F800	C463-V782 HydrophobicContact CB-CG2 4.31Å; C463-V782 CarbonylContact O-C 3.56Å; C463-V782 VanDerWaalsContact O-CA 3.32Å; C463-V782 WeakPolarHBondContact O-CA 3.4Å; V765-V782 HydrophobicContact CB-CG2 4.36Å; V765-V782 HydrophobicContact CG1-CG2 3.9Å; V765-V782 HydrophobicContact CG2-CG2 3.46Å; V765-V782 VanDerWaalsContact CG2-CG2 3.46Å; V780-V782 HydrophobicContact CG1-CG2 4.33Å; V782-A792 HydrophobicContact CG1-CB 4.27Å; V782-L793 HydrophobicContact CB-CD2 4.25Å; V782-L793 HydrophobicContact CG1-CD2 3.98Å; V782-L793 HydrophobicContact CG1-CG 4.34Å; V782-A796 HydrophobicContact CB-CB 3.96Å; V782-A796 HydrophobicContact CG2-CB 3.58Å; V782-V798 PolarHBondContact N-O 3.46Å; V782-F800 PolarHBondContact O-N 2.76Å
783	T	93.1	Very high	83.1	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	147.3	167.3	85.8	0	0	0	0	111	I462 C463 S464 D465 T469 F800 I826	I462-T783 HydrophobicContact CG2-CG2 4.29Å; C463-T783 PolarHBondContact O-N 3.35Å; S464-T783 WeakPolarHBondContact CA-OG1 3.49Å; S464-T783 PolarHBondContact OG-OG1 3.44Å; D465-T783 PolarHBondContact N-OG1 2.88Å; T469-T783 HydrophobicContact CG2-CG2 4.16Å; T469-T783 WeakPolarHBondContact CG2-OG1 3.41Å; T469-T783 PolarHBondContact OG1-OG1 3.37Å; T783-F800 WeakPolarHBondContact CA-O 3.42Å; T783-F800 HydrophobicContact CG2-CB 4.22Å; T783-I826 HydrophobicContact CG2-CD1 3.58Å
784	G	84.7	Confident	83.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	161.1	176	0	0	0	0	0	113.4	D789 F800 M802	G784-D789 WeakPolarHBondContact CA-OD2 3.49Å; G784-F800 PolarHBondContact N-O 3.2Å; G784-M802 PolarHBondContact O-N 3.14Å
785	D	79.9	Confident	83.9	Confident	25 Å²	25	39.5 Å²	39.5	13%	0.134	19%	0.194	C	C	.	.			trans	-130.8	-26.9	172.4	75.6	-14.9	0	0	0	112.9	G468 N473 D789 M802 G806 T807	G468-D785 WeakPolarHBondContact CA-OD2 3.42Å; N473-D785 PolarHBondContact ND2-OD2 3.47Å; D785-D789 PolarHBondContact N-OD2 3.19Å; D785-M802 HydrophobicContact CB-CB 4.12Å; D785-M802 HydrophobicContact CB-CG 3.83Å; D785-G806 WeakPolarHBondContact O-CA 3.47Å; D785-T807 WeakPolarHBondContact O-CB 3.32Å; D785-T807 WeakPolarHBondContact O-CG2 3.22Å; D785-T807 PolarHBondContact O-N 3.01Å; D785-T807 PolarHBondContact O-OG1 3.08Å
786	G	72.8	Confident	84.9	Confident	11 Å²	11	31 Å²	31	11%	0.113	16%	0.158	C	C	.	.	S	Bend	trans	-91.1	161.8	179.9	0	0	0	0	0	114.7	N788 D789	G786-N788 PolarHBondContact O-N 3.16Å; G786-D789 PolarHBondContact N-OD2 3.04Å; G786-D789 WeakPolarHBondContact O-CB 3.36Å; G786-D789 PolarHBondContact O-N 3.08Å
787	T	68.7	Low	85.7	Confident	8 Å²	8	28.1 Å²	28.1	5%	0.049	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-59.2	-31.5	171.9	72.8	0	0	0	0	111.5	Y216 D789 G790 T807 V809	Y216-T787 HydrophobicContact CD2-CG2 4.44Å; Y216-T787 HydrophobicContact CE2-CG2 3.69Å; Y216-T787 WeakPolarHBondContact CE2-OG1 3.44Å; Y216-T787 PolarHBondContact OH-N 3.26Å; Y216-T787 PolarHBondContact OH-OG1 2.87Å; T787-D789 PolarHBondContact O-N 3.24Å; T787-D789 VanDerWaalsContact O-N 3.09Å; T787-G790 PolarHBondContact O-N 3.39Å; T787-T807 HydrophobicContact CG2-CG2 4.17Å; T787-T807 PolarHBondContact N-OG1 2.92Å; T787-V809 HydrophobicContact CG2-CB 3.88Å; T787-V809 HydrophobicContact CG2-CG1 4.38Å; T787-V809 HydrophobicContact CG2-CG2 3.65Å
788	N	74.9	Confident	86.2	Confident	87 Å²	87	24.3 Å²	24.3	47%	0.465	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-51.8	-23.8	170.8	-71.1	-39.3	0	0	0	114.6	P758 G786	P758-N788 WeakPolarHBondContact CB-O 3.46Å; P758-N788 HydrophobicContact CG-CB 3.9Å; P758-N788 WeakPolarHBondContact CG-OD1 3.39Å; G786-N788 PolarHBondContact O-N 3.16Å
789	D	80.3	Confident	86.4	Confident	4 Å²	4	22.7 Å²	22.7	2%	0.021	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-89.8	-17.7	-179.9	-58.9	-44.8	0	0	0	112.6	K761 G784 D785 G786 T787 A792 L793	K761-D789 WeakPolarHBondContact CE-OD1 3.49Å; K761-D789 IonicContact NZ-OD1 2.63Å; K761-D789 PolarHBondContact NZ-OD1 3.17Å; G784-D789 WeakPolarHBondContact CA-OD2 3.49Å; D785-D789 PolarHBondContact N-OD2 3.19Å; G786-D789 PolarHBondContact N-OD2 3.04Å; G786-D789 WeakPolarHBondContact O-CB 3.36Å; G786-D789 PolarHBondContact O-N 3.08Å; T787-D789 PolarHBondContact O-N 3.24Å; T787-D789 VanDerWaalsContact O-N 3.09Å; D789-A792 CarbonylContact O-C 3.57Å; D789-A792 WeakPolarHBondContact O-CA 3.44Å; D789-A792 WeakPolarHBondContact O-CB 3.16Å; D789-A792 PolarHBondContact O-N 3.19Å; D789-L793 HydrophobicContact CB-CD1 3.88Å; D789-L793 HydrophobicContact CB-CG 4.18Å; D789-L793 WeakPolarHBondContact O-CG 3.33Å; D789-L793 PolarHBondContact O-N 3.32Å
790	G	79.9	Confident	86.6	Confident	8 Å²	8	22.6 Å²	22.6	8%	0.082	12%	0.123	C	C	.	.	H	α-helix	trans	-49.4	-51.3	-175.5	0	0	0	0	0	114.4	T787 A792 L793 K794	T787-G790 PolarHBondContact O-N 3.39Å; G790-A792 PolarHBondContact O-N 3.16Å; G790-L793 PolarHBondContact O-N 3.44Å; G790-K794 WeakPolarHBondContact O-CB 3.3Å; G790-K794 PolarHBondContact O-N 2.88Å
791	P	81.4	Confident	86.4	Confident	73 Å²	73	22.6 Å²	22.6	47%	0.474	12%	0.123	S	C	.	.	H	α-helix	trans	-64.7	-22	177.7	-24.2	35.3	0	0	0	114.8	H762 K795	H762-P791 PolarHBondContact ND1-O 3.04Å; P791-K795 WeakPolarHBondContact O-CB 3.4Å
792	A	86.4	Confident	86	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-88.9	-41.7	176.1	0	0	0	0	0	111.5	K761 V782 D789 G790 K795 A796	K761-A792 HydrophobicContact CB-CB 3.81Å; V782-A792 HydrophobicContact CG1-CB 4.27Å; D789-A792 CarbonylContact O-C 3.57Å; D789-A792 WeakPolarHBondContact O-CA 3.44Å; D789-A792 WeakPolarHBondContact O-CB 3.16Å; D789-A792 PolarHBondContact O-N 3.19Å; G790-A792 PolarHBondContact O-N 3.16Å; A792-K795 PolarHBondContact O-N 3.16Å; A792-A796 PolarHBondContact O-N 3.03Å; A792-A796 VanDerWaalsContact O-N 3.16Å
793	L	87.9	Confident	85.3	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-56.4	-51.6	172.2	-72.8	167.8	0	0	0	110.7	V782 D789 G790 K795 A796 F800 A810 A813	V782-L793 HydrophobicContact CB-CD2 4.25Å; V782-L793 HydrophobicContact CG1-CD2 3.98Å; V782-L793 HydrophobicContact CG1-CG 4.34Å; D789-L793 HydrophobicContact CB-CD1 3.88Å; D789-L793 HydrophobicContact CB-CG 4.18Å; D789-L793 WeakPolarHBondContact O-CG 3.33Å; D789-L793 PolarHBondContact O-N 3.32Å; G790-L793 PolarHBondContact O-N 3.44Å; L793-K795 PolarHBondContact O-N 3.48Å; L793-A796 VanDerWaalsContact O-CB 3.29Å; L793-A796 WeakPolarHBondContact O-CB 3.4Å; L793-A796 PolarHBondContact O-N 2.75Å; L793-F800 VanDerWaalsContact CD2-O 3.32Å; L793-F800 WeakPolarHBondContact CD2-O 3.34Å; L793-A810 HydrophobicContact CD1-CB 4Å; L793-A813 HydrophobicContact CB-CB 4.07Å; L793-A813 HydrophobicContact CD1-CB 4.42Å
794	K	85.5	Confident	84.4	Confident	130 Å²	130	29.4 Å²	29.4	57%	0.565	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-9.5	-177.3	-159.9	54.6	171.7	-179.8	0	114.4	G790 A813	G790-K794 WeakPolarHBondContact O-CB 3.3Å; G790-K794 PolarHBondContact O-N 2.88Å; K794-A813 HydrophobicContact CB-CB 4.44Å
795	K	89.1	Confident	83.7	Confident	76 Å²	76	31.4 Å²	31.4	33%	0.33	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-8.5	175.4	-175	52.8	-175.6	167.1	0	113.3	K766 I769 P791 A792 L793	K766-K795 HydrophobicContact CB-CG 4.36Å; I769-K795 WeakPolarHBondContact CD1-O 3.39Å; P791-K795 WeakPolarHBondContact O-CB 3.4Å; A792-K795 PolarHBondContact O-N 3.16Å; L793-K795 PolarHBondContact O-N 3.48Å
796	A	92.6	Very high	83.5	Confident	18 Å²	18	30.6 Å²	30.6	15%	0.149	18%	0.177	C	C	.	.	S	Bend	trans	-66.2	166.3	175.7	0	0	0	0	0	112	V782 A792 L793 V798	V782-A796 HydrophobicContact CB-CB 3.96Å; V782-A796 HydrophobicContact CG2-CB 3.58Å; A792-A796 PolarHBondContact O-N 3.03Å; A792-A796 VanDerWaalsContact O-N 3.16Å; L793-A796 VanDerWaalsContact O-CB 3.29Å; L793-A796 WeakPolarHBondContact O-CB 3.4Å; L793-A796 PolarHBondContact O-N 2.75Å; A796-V798 VanDerWaalsContact C-N 3.3Å; A796-V798 WeakPolarHBondContact CB-O 3.47Å
797	D	92.4	Very high	83.6	Confident	25 Å²	25	31 Å²	31	13%	0.134	18%	0.177	C	C	.	.	S	Bend	trans	-76.1	-22.9	160	-68.8	-90.2	0	0	0	111.3	T455 R777 V779 V780 R907	T455-D797 HydrophobicContact CG2-CB 3.86Å; R777-D797 IonicContact CZ-OD1 2.98Å; R777-D797 IonicContact NH1-OD1 3.86Å; R777-D797 IonicContact NH2-OD1 3.17Å; R777-D797 PolarHBondContact NH2-OD1 3.47Å; R777-D797 IonicContact NH2-OD2 3.69Å; R777-D797 PolarHBondContact NH2-OD2 2.87Å; V779-D797 WeakPolarHBondContact CA-OD2 3.25Å; V779-D797 HydrophobicContact CG1-CB 3.72Å; V780-D797 PolarHBondContact N-OD2 2.89Å; V780-D797 PolarHBondContact O-N 3Å; D797-R907 IonicContact OD1-NH1 3.94Å; D797-R907 PolarHBondContact OD1-NH1 3.47Å
798	V	94.2	Very high	84.1	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	117.2	170	-178.7	0	0	0	0	110.5	A452 T455 M456 V780 A781 V782 A796 F800 D815 I816	A452-V798 HydrophobicContact CB-CG1 4.21Å; A452-V798 HydrophobicContact CB-CG2 4.23Å; T455-V798 HydrophobicContact CG2-CG2 3.97Å; M456-V798 HydrophobicContact CB-CG2 4.16Å; M456-V798 HydrophobicContact SD-CB 4.27Å; M456-V798 HydrophobicContact SD-CG1 4.28Å; M456-V798 HydrophobicContact SD-CG2 4.27Å; V780-V798 PolarHBondContact O-N 3.26Å; A781-V798 CarbonylContact C-O 3.58Å; A781-V798 WeakPolarHBondContact CA-O 3.49Å; A781-V798 HydrophobicContact CB-CB 4.35Å; V782-V798 PolarHBondContact N-O 3.46Å; A796-V798 VanDerWaalsContact C-N 3.3Å; A796-V798 WeakPolarHBondContact CB-O 3.47Å; V798-F800 HydrophobicContact CB-CE2 4.31Å; V798-F800 HydrophobicContact CG1-CD2 3.97Å; V798-F800 HydrophobicContact CG1-CE2 3.48Å; V798-F800 VanDerWaalsContact CG1-CE2 3.48Å; V798-F800 HydrophobicContact CG1-CZ 4.01Å; V798-D815 WeakPolarHBondContact CA-OD2 3.46Å; V798-I816 HydrophobicContact CG1-CD1 4.06Å; V798-I816 HydrophobicContact CG1-CG1 4.36Å
799	G	94.4	Very high	84.1	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132.7	170.1	0	0	0	0	0	112.8	S814 D815 I816	G799-S814 WeakPolarHBondContact O-CB 3.26Å; G799-D815 PolarHBondContact N-OD2 3.07Å; G799-D815 PolarHBondContact O-N 3.35Å; G799-I816 PolarHBondContact O-N 2.89Å; G799-I816 VanDerWaalsContact O-N 3.09Å
800	F	94.5	Very high	84	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.6	172.7	-73.3	-93.2	0	0	0	111.9	M456 A781 V782 T783 G784 L793 V798 I816 L818 I826 A829	M456-F800 HydrophobicContact CE-CE2 3.53Å; M456-F800 HydrophobicContact CE-CZ 3.68Å; M456-F800 HydrophobicContact CG-CE2 4.43Å; M456-F800 HydrophobicContact CG-CZ 4.06Å; M456-F800 HydrophobicContact SD-CE2 3.57Å; M456-F800 VanDerWaalsContact SD-CE2 3.57Å; M456-F800 HydrophobicContact SD-CZ 3.79Å; A781-F800 HydrophobicContact CB-CD2 4.37Å; A781-F800 HydrophobicContact CB-CE2 4.08Å; V782-F800 PolarHBondContact O-N 2.76Å; T783-F800 WeakPolarHBondContact CA-O 3.42Å; T783-F800 HydrophobicContact CG2-CB 4.22Å; G784-F800 PolarHBondContact N-O 3.2Å; L793-F800 VanDerWaalsContact CD2-O 3.32Å; L793-F800 WeakPolarHBondContact CD2-O 3.34Å; V798-F800 HydrophobicContact CB-CE2 4.31Å; V798-F800 HydrophobicContact CG1-CD2 3.97Å; V798-F800 HydrophobicContact CG1-CE2 3.48Å; V798-F800 VanDerWaalsContact CG1-CE2 3.48Å; V798-F800 HydrophobicContact CG1-CZ 4.01Å; F800-I816 VanDerWaalsContact CA-O 3.29Å; F800-I816 WeakPolarHBondContact CA-O 3.35Å; F800-I816 HydrophobicContact CD1-CB 3.89Å; F800-I816 HydrophobicContact CD1-CG2 4.04Å; F800-I816 HydrophobicContact CE1-CB 3.87Å; F800-I816 HydrophobicContact CE1-CD1 3.92Å; F800-I816 HydrophobicContact CE1-CG1 4.42Å; F800-I816 HydrophobicContact CE1-CG2 3.85Å; F800-I816 HydrophobicContact CZ-CD1 3.93Å; F800-L818 HydrophobicContact CD1-CD1 4.42Å; F800-L818 HydrophobicContact CD1-CD2 3.74Å; F800-L818 HydrophobicContact CD1-CG 4.11Å; F800-L818 HydrophobicContact CE1-CD2 4.09Å; F800-I826 HydrophobicContact CD1-CG1 4.11Å; F800-I826 HydrophobicContact CE1-CG1 4.17Å; F800-I826 HydrophobicContact CE1-CG2 4.3Å; F800-I826 HydrophobicContact CE2-CG2 4.15Å; F800-I826 HydrophobicContact CG-CG1 4.49Å; F800-I826 HydrophobicContact CZ-CG2 3.95Å; F800-A829 HydrophobicContact CE1-CB 4.14Å; F800-A829 HydrophobicContact CZ-CB 4.08Å
801	A	90.4	Very high	84.2	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	148.4	170.1	0	0	0	0	0	112.4	A810 K811 S814 I816 I817 L818	A801-A810 HydrophobicContact CB-CB 4.44Å; A801-K811 HydrophobicContact CB-CB 4.36Å; A801-K811 HydrophobicContact CB-CG 4Å; A801-S814 VanDerWaalsContact CB-OG 3.27Å; A801-S814 WeakPolarHBondContact CB-OG 3.33Å; A801-I816 PolarHBondContact N-O 3.24Å; A801-I817 HydrophobicContact CB-CG1 4.44Å; A801-L818 PolarHBondContact O-N 3.2Å
802	M	87	Confident	84.2	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	130.5	166.4	-59.2	-52.3	108.2	0	0	109.8	T469 G784 D785 A805 G806 K811 L818 D821	T469-M802 HydrophobicContact CG2-CE 4.1Å; T469-M802 WeakPolarHBondContact OG1-CE 3.45Å; G784-M802 PolarHBondContact O-N 3.14Å; D785-M802 HydrophobicContact CB-CB 4.12Å; D785-M802 HydrophobicContact CB-CG 3.83Å; M802-A805 HydrophobicContact CB-CB 4.36Å; M802-G806 VanDerWaalsContact O-CA 3.24Å; M802-G806 WeakPolarHBondContact O-CA 3.39Å; M802-G806 PolarHBondContact O-N 2.92Å; M802-K811 WeakPolarHBondContact O-CE 3.13Å; M802-L818 HydrophobicContact CE-CD1 3.77Å; M802-L818 HydrophobicContact SD-CD1 4.39Å; M802-D821 HydrophobicContact CB-CB 4.47Å; M802-D821 WeakPolarHBondContact CB-OD1 3.5Å; M802-D821 HydrophobicContact SD-CB 3.97Å
803	G	80.6	Confident	83.9	Confident	22 Å²	22	32 Å²	32	23%	0.227	17%	0.174	C	C	.	.	S	Bend	trans	-78.2	-36.4	-179.1	0	0	0	0	0	113.4	K811 L818 D821	G803-K811 WeakPolarHBondContact O-CE 3.31Å; G803-L818 WeakPolarHBondContact CA-O 3.2Å; G803-L818 PolarHBondContact N-O 3.48Å; G803-D821 PolarHBondContact N-OD1 3.13Å
804	I	75.3	Confident	83.9	Confident	128 Å²	128	32 Å²	32	66%	0.656	17%	0.174	S	C	*	.	S	Bend	trans	-94.6	-52.3	-175.5	-49.5	170.2	0	0	0	110.6	D821	I804-D821 WeakPolarHBondContact CB-OD2 3.45Å; I804-D821 PolarHBondContact N-OD1 3.22Å
805	A	69.4	Low	84.2	Confident	43 Å²	43	26.9 Å²	26.9	36%	0.355	15%	0.153	S	C	.	.	S	Bend	trans	-83.2	-20.7	-179.5	0	0	0	0	0	114.1	M802 D821	M802-A805 HydrophobicContact CB-CB 4.36Å; A805-D821 WeakPolarHBondContact CB-OD2 3.45Å; A805-D821 PolarHBondContact N-OD2 3.33Å
806	G	75.5	Confident	84.3	Confident	7 Å²	7	23.2 Å²	23.2	7%	0.072	14%	0.137	C	C	.	.			trans	-74.2	143.5	-172.3	0	0	0	0	0	114.1	D785 M802 K811	D785-G806 WeakPolarHBondContact O-CA 3.47Å; M802-G806 VanDerWaalsContact O-CA 3.24Å; M802-G806 WeakPolarHBondContact O-CA 3.39Å; M802-G806 PolarHBondContact O-N 2.92Å; G806-K811 WeakPolarHBondContact O-CE 3.4Å; G806-K811 PolarHBondContact O-NZ 3.07Å
807	T	75.9	Confident	84.2	Confident	21 Å²	21	23.1 Å²	23.1	13%	0.129	13%	0.134	C	C	.	.			trans	-64.2	153.3	166	56.4	0	0	0	0	111.2	D785 T787 V809 A810 K811	D785-T807 WeakPolarHBondContact O-CB 3.32Å; D785-T807 WeakPolarHBondContact O-CG2 3.22Å; D785-T807 PolarHBondContact O-N 3.01Å; D785-T807 PolarHBondContact O-OG1 3.08Å; T787-T807 HydrophobicContact CG2-CG2 4.17Å; T787-T807 PolarHBondContact N-OG1 2.92Å; T807-V809 VanDerWaalsContact C-N 3.29Å; T807-V809 PolarHBondContact O-N 3.4Å; T807-A810 WeakPolarHBondContact O-CB 3.41Å; T807-A810 PolarHBondContact O-N 3.03Å; T807-A810 VanDerWaalsContact O-N 3.15Å; T807-A810 WeakPolarHBondContact OG1-CB 3.46Å; T807-A810 PolarHBondContact OG1-N 3.03Å; T807-K811 PolarHBondContact O-N 2.86Å; T807-K811 VanDerWaalsContact O-N 3.09Å
808	D	77.9	Confident	84.2	Confident	42 Å²	42	21.9 Å²	21.9	23%	0.225	13%	0.127	C	C	.	.	H	α-helix	trans	-73	-27.6	-178	-60.3	-37.1	0	0	0	111.5	G217 L219 A810 K811 E812	G217-D808 PolarHBondContact O-N 2.59Å; L219-D808 HydrophobicContact CB-CB 3.9Å; D808-A810 PolarHBondContact O-N 3.35Å; D808-K811 PolarHBondContact O-N 3.17Å; D808-K811 IonicContact OD1-NZ 3.88Å; D808-K811 PolarHBondContact OD1-NZ 3.29Å; D808-E812 WeakPolarHBondContact O-CB 3.38Å; D808-E812 PolarHBondContact O-N 3.27Å
809	V	75.3	Confident	83.9	Confident	17 Å²	17	23.9 Å²	23.9	10%	0.103	14%	0.139	C	C	.	.	H	α-helix	trans	-55.9	-46.6	166.3	-171.6	0	0	0	0	111.6	H261 T787 T807 E812 A813	H261-V809 HydrophobicContact CB-CG2 3.84Å; T787-V809 HydrophobicContact CG2-CB 3.88Å; T787-V809 HydrophobicContact CG2-CG1 4.38Å; T787-V809 HydrophobicContact CG2-CG2 3.65Å; T807-V809 VanDerWaalsContact C-N 3.29Å; T807-V809 PolarHBondContact O-N 3.4Å; V809-E812 PolarHBondContact O-N 3.35Å; V809-A813 WeakPolarHBondContact O-CB 3.3Å; V809-A813 PolarHBondContact O-N 3.04Å
810	A	79	Confident	83.5	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.6	-43.2	177.8	0	0	0	0	0	111.3	L793 A801 T807 D808 E812 A813 S814	L793-A810 HydrophobicContact CD1-CB 4Å; A801-A810 HydrophobicContact CB-CB 4.44Å; T807-A810 WeakPolarHBondContact O-CB 3.41Å; T807-A810 PolarHBondContact O-N 3.03Å; T807-A810 VanDerWaalsContact O-N 3.15Å; T807-A810 WeakPolarHBondContact OG1-CB 3.46Å; T807-A810 PolarHBondContact OG1-N 3.03Å; D808-A810 PolarHBondContact O-N 3.35Å; A810-E812 VanDerWaalsContact C-N 3.34Å; A810-E812 PolarHBondContact O-N 2.8Å; A810-A813 PolarHBondContact O-N 3.3Å; A810-S814 VanDerWaalsContact O-CB 3.31Å; A810-S814 WeakPolarHBondContact O-CB 3.4Å; A810-S814 PolarHBondContact O-N 3.11Å; A810-S814 PolarHBondContact O-OG 3.35Å
811	K	84.2	Confident	83.1	Confident	43 Å²	43	26 Å²	26	19%	0.187	15%	0.15	C	C	.	.	H	α-helix	trans	-59.6	-43.1	175.6	-67.8	170.2	-156.1	152.3	0	111.8	R448 A801 M802 G803 G806 T807 D808 S814 I817	R448-K811 PolarHBondContact NH1-O 2.97Å; A801-K811 HydrophobicContact CB-CB 4.36Å; A801-K811 HydrophobicContact CB-CG 4Å; M802-K811 WeakPolarHBondContact O-CE 3.13Å; G803-K811 WeakPolarHBondContact O-CE 3.31Å; G806-K811 WeakPolarHBondContact O-CE 3.4Å; G806-K811 PolarHBondContact O-NZ 3.07Å; T807-K811 PolarHBondContact O-N 2.86Å; T807-K811 VanDerWaalsContact O-N 3.09Å; D808-K811 PolarHBondContact O-N 3.17Å; D808-K811 IonicContact OD1-NZ 3.88Å; D808-K811 PolarHBondContact OD1-NZ 3.29Å; K811-S814 PolarHBondContact O-N 3.24Å; K811-S814 PolarHBondContact O-OG 3.05Å; K811-I817 HydrophobicContact CB-CD1 3.82Å; K811-I817 HydrophobicContact CB-CG1 4.29Å; K811-I817 HydrophobicContact CD-CD1 4.41Å; K811-I817 HydrophobicContact CG-CD1 4Å; K811-I817 HydrophobicContact CG-CG1 4.29Å
812	E	81.1	Confident	82.9	Confident	85 Å²	85	27.1 Å²	27.1	40%	0.397	16%	0.157	S	C	.	.	H	α-helix	trans	-72.3	-34.4	179.8	-177	149	-149	0	0	113.5	H261 R448 D808 V809 A810 S814	H261-E812 IonicContact CE1-OE2 2.66Å; H261-E812 PolarHBondContact CE1-OE2 3.47Å; R448-E812 PolarHBondContact NH1-O 2.84Å; D808-E812 WeakPolarHBondContact O-CB 3.38Å; D808-E812 PolarHBondContact O-N 3.27Å; V809-E812 PolarHBondContact O-N 3.35Å; A810-E812 VanDerWaalsContact C-N 3.34Å; A810-E812 PolarHBondContact O-N 2.8Å; E812-S814 VanDerWaalsContact C-N 3.27Å; E812-S814 PolarHBondContact O-N 2.89Å
813	A	79.4	Confident	83	Confident	15 Å²	15	27.1 Å²	27.1	12%	0.124	16%	0.157	C	C	.	.	H	α-helix	trans	-71	-18.7	171.7	0	0	0	0	0	113.8	L793 K794 V809 A810	L793-A813 HydrophobicContact CB-CB 4.07Å; L793-A813 HydrophobicContact CD1-CB 4.42Å; K794-A813 HydrophobicContact CB-CB 4.44Å; V809-A813 WeakPolarHBondContact O-CB 3.3Å; V809-A813 PolarHBondContact O-N 3.04Å; A810-A813 PolarHBondContact O-N 3.3Å
814	S	88.6	Confident	83.6	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.			trans	-92.1	155.8	-175.1	76.5	0	0	0	0	114.8	R448 G799 A801 A810 K811 E812	R448-S814 PolarHBondContact NH1-O 3.3Å; G799-S814 WeakPolarHBondContact O-CB 3.26Å; A801-S814 VanDerWaalsContact CB-OG 3.27Å; A801-S814 WeakPolarHBondContact CB-OG 3.33Å; A810-S814 VanDerWaalsContact O-CB 3.31Å; A810-S814 WeakPolarHBondContact O-CB 3.4Å; A810-S814 PolarHBondContact O-N 3.11Å; A810-S814 PolarHBondContact O-OG 3.35Å; K811-S814 PolarHBondContact O-N 3.24Å; K811-S814 PolarHBondContact O-OG 3.05Å; E812-S814 VanDerWaalsContact C-N 3.27Å; E812-S814 PolarHBondContact O-N 2.89Å
815	D	90.9	Very high	84.4	Confident	21 Å²	21	21.7 Å²	21.7	11%	0.112	13%	0.125	C	C	.	.	S	Bend	trans	-94	-26.1	176.4	-50.6	-61.9	0	0	0	112.7	R448 H449 A452 V798 G799	R448-D815 WeakPolarHBondContact CB-O 3.36Å; R448-D815 PolarHBondContact N-O 3.49Å; H449-D815 HydrophobicContact CB-CB 4.13Å; H449-D815 IonicContact CD2-OD1 2.74Å; H449-D815 PolarHBondContact CD2-OD1 2.97Å; H449-D815 IonicContact CG-OD1 2.71Å; H449-D815 PolarHBondContact N-O 2.94Å; A452-D815 HydrophobicContact CB-CB 3.47Å; A452-D815 VanDerWaalsContact CB-CB 3.47Å; V798-D815 WeakPolarHBondContact CA-OD2 3.46Å; G799-D815 PolarHBondContact N-OD2 3.07Å; G799-D815 PolarHBondContact O-N 3.35Å
816	I	92.5	Very high	85.6	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.3	179.5	-52.8	-179.1	0	0	0	109.6	M440 N445 L446 V447 A452 V798 G799 F800 A801	M440-I816 HydrophobicContact CE-CD1 4.3Å; N445-I816 HydrophobicContact CB-CG2 4.21Å; L446-I816 WeakPolarHBondContact O-CA 3.35Å; V447-I816 HydrophobicContact CG1-CG1 4.39Å; V447-I816 HydrophobicContact CG2-CD1 4.28Å; V447-I816 HydrophobicContact CG2-CG1 4.2Å; V447-I816 HydrophobicContact CG2-CG2 4.37Å; A452-I816 HydrophobicContact CB-CD1 4.5Å; A452-I816 HydrophobicContact CB-CG1 4.4Å; V798-I816 HydrophobicContact CG1-CD1 4.06Å; V798-I816 HydrophobicContact CG1-CG1 4.36Å; G799-I816 PolarHBondContact O-N 2.89Å; G799-I816 VanDerWaalsContact O-N 3.09Å; F800-I816 VanDerWaalsContact CA-O 3.29Å; F800-I816 WeakPolarHBondContact CA-O 3.35Å; F800-I816 HydrophobicContact CD1-CB 3.89Å; F800-I816 HydrophobicContact CD1-CG2 4.04Å; F800-I816 HydrophobicContact CE1-CB 3.87Å; F800-I816 HydrophobicContact CE1-CD1 3.92Å; F800-I816 HydrophobicContact CE1-CG1 4.42Å; F800-I816 HydrophobicContact CE1-CG2 3.85Å; F800-I816 HydrophobicContact CZ-CD1 3.93Å; A801-I816 PolarHBondContact N-O 3.24Å
817	I	90.7	Very high	86.5	Confident	15 Å²	15	20 Å²	20	8%	0.077	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.2	172	-60.8	172.6	0	0	0	109.1	L446 R448 A801 K811	L446-I817 HydrophobicContact CB-CB 4.29Å; L446-I817 PolarHBondContact N-O 3.5Å; L446-I817 PolarHBondContact O-N 3.12Å; R448-I817 HydrophobicContact CG-CD1 4.42Å; A801-I817 HydrophobicContact CB-CG1 4.44Å; K811-I817 HydrophobicContact CB-CD1 3.82Å; K811-I817 HydrophobicContact CB-CG1 4.29Å; K811-I817 HydrophobicContact CD-CD1 4.41Å; K811-I817 HydrophobicContact CG-CD1 4Å; K811-I817 HydrophobicContact CG-CG1 4.29Å
818	L	91.3	Very high	87.3	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	104.9	173.5	-56.3	-176.3	0	0	0	109.5	N445 F800 A801 M802 G803 D820 D821 I826	N445-L818 WeakPolarHBondContact OD1-CD2 3.35Å; F800-L818 HydrophobicContact CD1-CD1 4.42Å; F800-L818 HydrophobicContact CD1-CD2 3.74Å; F800-L818 HydrophobicContact CD1-CG 4.11Å; F800-L818 HydrophobicContact CE1-CD2 4.09Å; A801-L818 PolarHBondContact O-N 3.2Å; M802-L818 HydrophobicContact CE-CD1 3.77Å; M802-L818 HydrophobicContact SD-CD1 4.39Å; G803-L818 WeakPolarHBondContact CA-O 3.2Å; G803-L818 PolarHBondContact N-O 3.48Å; L818-D820 PolarHBondContact O-N 2.94Å; L818-D820 VanDerWaalsContact O-N 3.14Å; L818-D821 PolarHBondContact O-N 3.5Å; L818-I826 HydrophobicContact CD1-CD1 3.98Å; L818-I826 HydrophobicContact CD1-CG1 3.62Å; L818-I826 HydrophobicContact CD2-CG1 4.3Å
819	T	87.8	Confident	88.1	Confident	42 Å²	42	20 Å²	20	26%	0.258	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-4.3	-174	62.7	0	0	0	0	113.9	N444 L446	N444-T819 WeakPolarHBondContact CA-OG1 3.34Å; N444-T819 PolarHBondContact O-N 3.1Å; N444-T819 PolarHBondContact O-OG1 3.33Å; L446-T819 HydrophobicContact CB-CG2 3.96Å
820	D	86.3	Confident	89	Confident	36 Å²	36	19.2 Å²	19.2	19%	0.193	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	6.3	176.3	66.6	-8.2	0	0	0	114.5	N444 L818 N822 S825	N444-D820 HydrophobicContact CB-CB 4.02Å; N444-D820 VanDerWaalsContact CB-CG 3.46Å; N444-D820 WeakPolarHBondContact CB-OD2 3.47Å; N444-D820 PolarHBondContact ND2-OD2 3.29Å; L818-D820 PolarHBondContact O-N 2.94Å; L818-D820 VanDerWaalsContact O-N 3.14Å; D820-N822 HydrophobicContact CB-CB 4.34Å; D820-N822 PolarHBondContact O-N 3.09Å; D820-N822 VanDerWaalsContact O-N 3.1Å; D820-N822 VanDerWaalsContact OD1-CB 3.24Å; D820-N822 WeakPolarHBondContact OD1-CB 3.37Å; D820-N822 PolarHBondContact OD1-N 3.37Å; D820-N822 VanDerWaalsContact OD1-N 3.14Å; D820-N822 WeakPolarHBondContact OD2-CB 3.29Å; D820-S825 PolarHBondContact OD1-OG 3.02Å; D820-S825 PolarHBondContact OD2-OG 3.25Å; D820-S825 VanDerWaalsContact OD2-OG 3.06Å
821	D	85.4	Confident	89.7	Confident	8 Å²	8	20.6 Å²	20.6	4%	0.043	11%	0.107	C	C	.	.			trans	49.7	28.1	-173.4	-63.7	3.1	0	0	0	113.8	R675 M802 G803 I804 A805 L818	R675-D821 PolarHBondContact NH1-O 2.88Å; R675-D821 PolarHBondContact NH2-O 3.41Å; R675-D821 VanDerWaalsContact NH2-O 3.17Å; M802-D821 HydrophobicContact CB-CB 4.47Å; M802-D821 WeakPolarHBondContact CB-OD1 3.5Å; M802-D821 HydrophobicContact SD-CB 3.97Å; G803-D821 PolarHBondContact N-OD1 3.13Å; I804-D821 WeakPolarHBondContact CB-OD2 3.45Å; I804-D821 PolarHBondContact N-OD1 3.22Å; A805-D821 WeakPolarHBondContact CB-OD2 3.45Å; A805-D821 PolarHBondContact N-OD2 3.33Å; L818-D821 PolarHBondContact O-N 3.5Å
822	N	86.7	Confident	90.1	Very high	25 Å²	25	19.2 Å²	19.2	13%	0.134	10%	0.101	C	C	.	.			trans	-101.7	126.1	-168.6	-158.3	-54.4	0	0	0	113.2	E677 D820 T824 S825	E677-N822 WeakPolarHBondContact CG-OD1 3.08Å; E677-N822 PolarHBondContact OE1-ND2 3.43Å; E677-N822 PolarHBondContact OE1-OD1 2.99Å; D820-N822 HydrophobicContact CB-CB 4.34Å; D820-N822 PolarHBondContact O-N 3.09Å; D820-N822 VanDerWaalsContact O-N 3.1Å; D820-N822 VanDerWaalsContact OD1-CB 3.24Å; D820-N822 WeakPolarHBondContact OD1-CB 3.37Å; D820-N822 PolarHBondContact OD1-N 3.37Å; D820-N822 VanDerWaalsContact OD1-N 3.14Å; D820-N822 WeakPolarHBondContact OD2-CB 3.29Å; N822-T824 VanDerWaalsContact CG-OG1 3.27Å; N822-T824 PolarHBondContact O-N 3.42Å; N822-T824 WeakPolarHBondContact OD1-CB 2.92Å; N822-T824 WeakPolarHBondContact OD1-CG2 3.14Å; N822-T824 PolarHBondContact OD1-N 3.08Å; N822-T824 PolarHBondContact OD1-OG1 2.83Å; N822-S825 WeakPolarHBondContact O-CB 3.49Å; N822-S825 PolarHBondContact O-N 3.25Å
823	F	89.8	Confident	90.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.2	-25.5	176	-163.1	-91.2	0	0	0	113.2	I462 T469 L470 V678 A681 I682 V692 S825 I826 V827	I462-F823 HydrophobicContact CD1-CZ 4.44Å; I462-F823 HydrophobicContact CG2-CE2 4.29Å; I462-F823 HydrophobicContact CG2-CZ 4.35Å; T469-F823 HydrophobicContact CG2-CD2 3.78Å; T469-F823 HydrophobicContact CG2-CE2 4.45Å; L470-F823 HydrophobicContact CD2-CD2 3.67Å; L470-F823 HydrophobicContact CD2-CE2 3.84Å; L470-F823 HydrophobicContact CD2-CG 4.2Å; L470-F823 HydrophobicContact CD2-CZ 4.5Å; V678-F823 HydrophobicContact CG2-CB 3.73Å; V678-F823 HydrophobicContact CG2-CG 4.42Å; A681-F823 HydrophobicContact CB-CD1 3.72Å; A681-F823 HydrophobicContact CB-CE1 4.36Å; I682-F823 HydrophobicContact CG1-CD1 4.29Å; I682-F823 HydrophobicContact CG1-CE1 3.71Å; I682-F823 HydrophobicContact CG1-CZ 4.2Å; V692-F823 HydrophobicContact CG1-CZ 4.16Å; V692-F823 HydrophobicContact CG2-CZ 4.18Å; F823-S825 PolarHBondContact O-N 2.92Å; F823-I826 HydrophobicContact CD2-CD1 3.7Å; F823-I826 HydrophobicContact CE2-CD1 3.96Å; F823-I826 HydrophobicContact CG-CD1 4.31Å; F823-I826 WeakPolarHBondContact O-CB 3.26Å; F823-I826 PolarHBondContact O-N 3.43Å; F823-V827 PolarHBondContact O-N 2.98Å
824	T	91.7	Very high	91.2	Very high	36 Å²	36	14.6 Å²	14.6	22%	0.221	8%	0.077	C	C	.	.	H	α-helix	trans	-64	-29.1	172	63.5	0	0	0	0	112.5	E677 A681 N822 I826 V827 K828	E677-T824 HydrophobicContact CB-CG2 3.75Å; E677-T824 HydrophobicContact CG-CG2 3.65Å; A681-T824 HydrophobicContact CB-CG2 3.98Å; N822-T824 VanDerWaalsContact CG-OG1 3.27Å; N822-T824 PolarHBondContact O-N 3.42Å; N822-T824 WeakPolarHBondContact OD1-CB 2.92Å; N822-T824 WeakPolarHBondContact OD1-CG2 3.14Å; N822-T824 PolarHBondContact OD1-N 3.08Å; N822-T824 PolarHBondContact OD1-OG1 2.83Å; T824-I826 VanDerWaalsContact C-N 3.27Å; T824-I826 PolarHBondContact O-N 3.48Å; T824-V827 WeakPolarHBondContact O-CB 3.12Å; T824-V827 PolarHBondContact O-N 2.65Å; T824-V827 VanDerWaalsContact O-N 3.08Å; T824-K828 PolarHBondContact O-N 2.7Å
825	S	93.6	Very high	91.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-34.7	175.8	-62.9	0	0	0	0	111	N445 D820 N822 F823 V827 K828 A829	N445-S825 WeakPolarHBondContact ND2-CB 3.37Å; N445-S825 PolarHBondContact ND2-O 3.44Å; N445-S825 PolarHBondContact OD1-O 2.65Å; N445-S825 VanDerWaalsContact OD1-O 3.1Å; D820-S825 PolarHBondContact OD1-OG 3.02Å; D820-S825 PolarHBondContact OD2-OG 3.25Å; D820-S825 VanDerWaalsContact OD2-OG 3.06Å; N822-S825 WeakPolarHBondContact O-CB 3.49Å; N822-S825 PolarHBondContact O-N 3.25Å; F823-S825 PolarHBondContact O-N 2.92Å; S825-V827 PolarHBondContact O-N 2.98Å; S825-K828 WeakPolarHBondContact O-CB 3.39Å; S825-K828 PolarHBondContact O-N 2.72Å; S825-A829 PolarHBondContact O-N 2.93Å
826	I	94.1	Very high	91.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.9	-40.4	172.4	-52.8	176.5	0	0	0	111.2	M456 I462 T783 F800 L818 F823 T824 K828 A829 V830	M456-I826 HydrophobicContact CE-CG2 3.5Å; I462-I826 HydrophobicContact CD1-CG2 4.07Å; T783-I826 HydrophobicContact CG2-CD1 3.58Å; F800-I826 HydrophobicContact CD1-CG1 4.11Å; F800-I826 HydrophobicContact CE1-CG1 4.17Å; F800-I826 HydrophobicContact CE1-CG2 4.3Å; F800-I826 HydrophobicContact CE2-CG2 4.15Å; F800-I826 HydrophobicContact CG-CG1 4.49Å; F800-I826 HydrophobicContact CZ-CG2 3.95Å; L818-I826 HydrophobicContact CD1-CD1 3.98Å; L818-I826 HydrophobicContact CD1-CG1 3.62Å; L818-I826 HydrophobicContact CD2-CG1 4.3Å; F823-I826 HydrophobicContact CD2-CD1 3.7Å; F823-I826 HydrophobicContact CE2-CD1 3.96Å; F823-I826 HydrophobicContact CG-CD1 4.31Å; F823-I826 WeakPolarHBondContact O-CB 3.26Å; F823-I826 PolarHBondContact O-N 3.43Å; T824-I826 VanDerWaalsContact C-N 3.27Å; T824-I826 PolarHBondContact O-N 3.48Å; I826-K828 VanDerWaalsContact C-N 3.31Å; I826-K828 PolarHBondContact O-N 3.33Å; I826-A829 WeakPolarHBondContact O-CB 3.44Å; I826-A829 PolarHBondContact O-N 3.2Å; I826-A829 VanDerWaalsContact O-N 3.14Å; I826-V830 PolarHBondContact O-N 3.46Å
827	V	94.1	Very high	91	Very high	13 Å²	13	14.7 Å²	14.7	8%	0.079	8%	0.076	C	C	.	.	H	α-helix	trans	-64.5	-36.8	175.9	-174.8	0	0	0	0	111.2	A681 K684 F823 T824 S825 V830 M831 L900	A681-V827 HydrophobicContact CB-CG2 3.85Å; K684-V827 HydrophobicContact CB-CG1 4.24Å; F823-V827 PolarHBondContact O-N 2.98Å; T824-V827 WeakPolarHBondContact O-CB 3.12Å; T824-V827 PolarHBondContact O-N 2.65Å; T824-V827 VanDerWaalsContact O-N 3.08Å; S825-V827 PolarHBondContact O-N 2.98Å; V827-V830 PolarHBondContact O-N 2.83Å; V827-M831 PolarHBondContact O-N 3.11Å; V827-M831 VanDerWaalsContact O-N 3.1Å; V827-L900 HydrophobicContact CG1-CD1 3.73Å
828	K	93.6	Very high	90.9	Very high	63 Å²	63	14.2 Å²	14.2	27%	0.274	7%	0.074	S	C	.	.	H	α-helix	trans	-65	-40.5	171.1	-59.2	179.3	-165.6	171.9	0	111.7	D443 T824 S825 I826 V830 M831 W832	D443-K828 HydrophobicContact CB-CD 3.75Å; D443-K828 IonicContact OD1-NZ 3.76Å; T824-K828 PolarHBondContact O-N 2.7Å; S825-K828 WeakPolarHBondContact O-CB 3.39Å; S825-K828 PolarHBondContact O-N 2.72Å; I826-K828 VanDerWaalsContact C-N 3.31Å; I826-K828 PolarHBondContact O-N 3.33Å; K828-V830 PolarHBondContact O-N 3.17Å; K828-M831 WeakPolarHBondContact O-CB 3.33Å; K828-M831 PolarHBondContact O-N 3.03Å; K828-M831 VanDerWaalsContact O-N 3.1Å; K828-W832 PolarHBondContact O-N 3.38Å
829	A	93.9	Very high	90.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61	-42.6	176.5	0	0	0	0	0	112.4	M440 M456 F800 S825 I826 M831 W832 G833	M440-A829 HydrophobicContact CE-CB 3.7Å; M456-A829 HydrophobicContact CG-CB 4.22Å; F800-A829 HydrophobicContact CE1-CB 4.14Å; F800-A829 HydrophobicContact CZ-CB 4.08Å; S825-A829 PolarHBondContact O-N 2.93Å; I826-A829 WeakPolarHBondContact O-CB 3.44Å; I826-A829 PolarHBondContact O-N 3.2Å; I826-A829 VanDerWaalsContact O-N 3.14Å; A829-M831 VanDerWaalsContact C-N 3.32Å; A829-M831 PolarHBondContact O-N 2.88Å; A829-W832 PolarHBondContact O-N 2.99Å; A829-G833 PolarHBondContact O-N 3.08Å
830	V	94.2	Very high	90.8	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	6%	0.062	C	C	.	.	H	α-helix	trans	-58.2	-44.1	170.7	173.2	0	0	0	0	111.2	M456 I690 I826 V827 K828 R834 L900	M456-V830 HydrophobicContact CE-CG2 3.47Å; M456-V830 VanDerWaalsContact CE-CG2 3.47Å; M456-V830 HydrophobicContact CG-CG2 4Å; M456-V830 HydrophobicContact SD-CG2 4.38Å; I690-V830 HydrophobicContact CD1-CB 4.43Å; I690-V830 HydrophobicContact CD1-CG1 3.76Å; I690-V830 HydrophobicContact CD1-CG2 3.8Å; I826-V830 PolarHBondContact O-N 3.46Å; V827-V830 PolarHBondContact O-N 2.83Å; K828-V830 PolarHBondContact O-N 3.17Å; V830-R834 WeakPolarHBondContact O-CB 3.4Å; V830-R834 VanDerWaalsContact O-CG 3.29Å; V830-R834 WeakPolarHBondContact O-CG 3.16Å; V830-R834 PolarHBondContact O-N 3.44Å; V830-L900 HydrophobicContact CG1-CD2 3.95Å
831	M	93.5	Very high	90.9	Very high	30 Å²	30	10.9 Å²	10.9	15%	0.148	6%	0.055	C	C	.	.	H	α-helix	trans	-65.6	-41.9	-179.3	-156.6	-164.7	-61.5	0	0	112.1	V827 K828 A829 N835 P895 E897 L899 L900	V827-M831 PolarHBondContact O-N 3.11Å; V827-M831 VanDerWaalsContact O-N 3.1Å; K828-M831 WeakPolarHBondContact O-CB 3.33Å; K828-M831 PolarHBondContact O-N 3.03Å; K828-M831 VanDerWaalsContact O-N 3.1Å; A829-M831 VanDerWaalsContact C-N 3.32Å; A829-M831 PolarHBondContact O-N 2.88Å; M831-N835 WeakPolarHBondContact O-CB 3.5Å; M831-N835 PolarHBondContact O-N 2.82Å; M831-N835 VanDerWaalsContact O-N 3.12Å; M831-P895 HydrophobicContact CG-CB 3.93Å; M831-P895 HydrophobicContact SD-CB 3.91Å; M831-P895 HydrophobicContact SD-CG 4.41Å; M831-E897 HydrophobicContact CE-CG 4.08Å; M831-L899 HydrophobicContact CG-CB 4.36Å; M831-L899 HydrophobicContact CG-CD1 4.3Å; M831-L900 HydrophobicContact CB-CD2 4.29Å; M831-L900 HydrophobicContact CE-CD1 3.76Å; M831-L900 HydrophobicContact CE-CG 4.3Å; M831-L900 HydrophobicContact CG-CD2 4.46Å; M831-L900 HydrophobicContact CG-CG 4.35Å
832	W	93	Very high	91.1	Very high	13 Å²	13	11.4 Å²	11.4	5%	0.049	6%	0.056	C	C	.	.	H	α-helix	trans	-66	-46.5	174.9	-84.6	107.1	0	0	0	112.2	K439 M440 D443 K828 A829 R834 N835 V836 P895	K439-W832 HydrophobicContact CB-CH2 3.34Å; K439-W832 HydrophobicContact CB-CZ2 3.34Å; K439-W832 HydrophobicContact CB-CZ3 4.02Å; K439-W832 HydrophobicContact CD-CH2 4.38Å; K439-W832 HydrophobicContact CG-CH2 3.65Å; K439-W832 HydrophobicContact CG-CZ2 4.1Å; K439-W832 HydrophobicContact CG-CZ3 4.31Å; M440-W832 HydrophobicContact CG-CB 3.69Å; M440-W832 HydrophobicContact CG-CD2 4.03Å; M440-W832 HydrophobicContact CG-CG 3.45Å; M440-W832 VanDerWaalsContact CG-CG 3.45Å; M440-W832 HydrophobicContact SD-CB 3.63Å; M440-W832 HydrophobicContact SD-CG 4.11Å; D443-W832 PolarHBondContact OD2-NE1 3.33Å; K828-W832 PolarHBondContact O-N 3.38Å; A829-W832 PolarHBondContact O-N 2.99Å; W832-R834 VanDerWaalsContact C-N 3.35Å; W832-R834 PolarHBondContact O-N 3.26Å; W832-N835 CarbonylContact O-C 3.59Å; W832-N835 WeakPolarHBondContact O-CA 3.05Å; W832-N835 WeakPolarHBondContact O-CB 3.22Å; W832-N835 PolarHBondContact O-N 3.2Å; W832-V836 PolarHBondContact O-N 3.45Å; W832-P895 HydrophobicContact CD2-CG 3.88Å; W832-P895 HydrophobicContact CE3-CG 4.19Å; W832-P895 HydrophobicContact CG-CG 4.42Å; W832-P895 HydrophobicContact CH2-CG 4.06Å; W832-P895 HydrophobicContact CZ2-CG 3.74Å; W832-P895 HydrophobicContact CZ3-CG 4.28Å
833	G	91.6	Very high	91.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.9	-39.4	177.5	0	0	0	0	0	113.5	C453 A829 N835 V836 Y837	C453-G833 WeakPolarHBondContact O-CA 3.42Å; A829-G833 PolarHBondContact O-N 3.08Å; G833-N835 VanDerWaalsContact C-N 3.26Å; G833-N835 PolarHBondContact O-N 3.4Å; G833-V836 PolarHBondContact O-N 3.15Å; G833-Y837 PolarHBondContact O-N 3.24Å
834	R	91.5	Very high	91.3	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.015	5%	0.05	C	C	.	.	H	α-helix	trans	-64.6	-30.5	172	-72.7	177.8	-179	-161.3	1.9	112.7	G457 A688 V830 W832 D838 L899 R902	G457-R834 WeakPolarHBondContact O-CG 3.41Å; G457-R834 PolarHBondContact O-NE 3.11Å; A688-R834 PolarHBondContact O-NH2 3.43Å; V830-R834 WeakPolarHBondContact O-CB 3.4Å; V830-R834 VanDerWaalsContact O-CG 3.29Å; V830-R834 WeakPolarHBondContact O-CG 3.16Å; V830-R834 PolarHBondContact O-N 3.44Å; W832-R834 VanDerWaalsContact C-N 3.35Å; W832-R834 PolarHBondContact O-N 3.26Å; R834-D838 PolarHBondContact O-N 2.96Å; R834-L899 HydrophobicContact CB-CB 4.23Å; R834-L899 HydrophobicContact CB-CD1 4.48Å; R834-L899 VanDerWaalsContact CD-O 3.32Å; R834-L899 WeakPolarHBondContact CD-O 3.4Å; R834-L899 PolarHBondContact NH1-O 3.33Å; R834-R902 PolarHBondContact NH1-O 3.32Å
835	N	91.6	Very high	91.3	Very high	4 Å²	4	8.7 Å²	8.7	2%	0.021	4%	0.04	C	C	.	.	H	α-helix	trans	-77.9	-34.1	177.8	-173.6	65.7	0	0	0	113.3	M831 W832 G833 S839 E893 P895 L899	M831-N835 WeakPolarHBondContact O-CB 3.5Å; M831-N835 PolarHBondContact O-N 2.82Å; M831-N835 VanDerWaalsContact O-N 3.12Å; W832-N835 CarbonylContact O-C 3.59Å; W832-N835 WeakPolarHBondContact O-CA 3.05Å; W832-N835 WeakPolarHBondContact O-CB 3.22Å; W832-N835 PolarHBondContact O-N 3.2Å; G833-N835 VanDerWaalsContact C-N 3.26Å; G833-N835 PolarHBondContact O-N 3.4Å; N835-S839 VanDerWaalsContact O-CB 3.22Å; N835-S839 WeakPolarHBondContact O-CB 3.49Å; N835-S839 PolarHBondContact O-N 2.89Å; N835-S839 PolarHBondContact O-OG 2.52Å; N835-E893 PolarHBondContact ND2-O 3.37Å; N835-P895 HydrophobicContact CB-CB 3.87Å; N835-L899 HydrophobicContact CB-CD1 3.72Å
836	V	89.3	Confident	91.3	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.006	4%	0.04	C	C	.	.	H	α-helix	trans	-57.9	-53.5	172.8	169	0	0	0	0	110	L433 S436 W832 G833 D838 S839 I840	L433-V836 HydrophobicContact CD1-CG1 4.16Å; L433-V836 HydrophobicContact CD1-CG2 4.4Å; S436-V836 WeakPolarHBondContact OG-CG2 3.44Å; W832-V836 PolarHBondContact O-N 3.45Å; G833-V836 PolarHBondContact O-N 3.15Å; V836-D838 PolarHBondContact O-N 3.16Å; V836-S839 PolarHBondContact O-N 3.41Å; V836-I840 HydrophobicContact CG1-CD1 3.75Å; V836-I840 WeakPolarHBondContact O-CD1 3.3Å; V836-I840 WeakPolarHBondContact O-CG1 3.42Å; V836-I840 PolarHBondContact O-N 3.34Å
837	Y	86.8	Confident	91.2	Very high	17 Å²	17	8.7 Å²	8.7	7%	0.067	4%	0.04	C	C	.	.	H	α-helix	trans	-58.6	-50.6	178.4	-175.3	-79.2	0	0	0	111.9	L352 G833 S839 I840 S841 Y905 L911	L352-Y837 HydrophobicContact CD1-CD2 4.38Å; L352-Y837 HydrophobicContact CD1-CE2 4.27Å; L352-Y837 HydrophobicContact CD2-CD2 4.24Å; G833-Y837 PolarHBondContact O-N 3.24Å; Y837-S839 VanDerWaalsContact C-N 3.3Å; Y837-S839 PolarHBondContact O-N 2.84Å; Y837-I840 PolarHBondContact O-N 2.95Å; Y837-S841 PolarHBondContact O-N 2.81Å; Y837-S841 PolarHBondContact O-OG 3.45Å; Y837-Y905 AromaticContact CD1-CD2 3.52Å; Y837-Y905 HydrophobicContact CD1-CD2 3.52Å; Y837-Y905 AromaticContact CD1-CE2 3.27Å; Y837-Y905 HydrophobicContact CD1-CE2 3.27Å; Y837-Y905 AromaticContact CE1-CD2 3.55Å; Y837-Y905 HydrophobicContact CE1-CD2 3.55Å; Y837-Y905 AromaticContact CE1-CE2 3.47Å; Y837-Y905 HydrophobicContact CE1-CE2 3.47Å; Y837-Y905 VanDerWaalsContact CE1-CE2 3.47Å; Y837-Y905 HydrophobicContact CE1-CG 4.3Å; Y837-Y905 HydrophobicContact CG-CD2 4.06Å; Y837-Y905 HydrophobicContact CG-CE2 4.13Å; Y837-L911 HydrophobicContact CE2-CD1 4Å
838	D	88.7	Confident	91	Very high	6 Å²	6	8.9 Å²	8.9	3%	0.032	4%	0.041	C	C	.	.	H	α-helix	trans	-62.8	-35.5	-179.3	-82.4	5.1	0	0	0	112.6	R834 V836 S841 K842 L899 R902 Y905 I981 H982	R834-D838 PolarHBondContact O-N 2.96Å; V836-D838 PolarHBondContact O-N 3.16Å; D838-S841 PolarHBondContact O-N 3.15Å; D838-K842 VanDerWaalsContact O-CG 3.31Å; D838-K842 WeakPolarHBondContact O-CG 3.49Å; D838-K842 PolarHBondContact O-N 2.97Å; D838-L899 WeakPolarHBondContact OD2-CD2 3.44Å; D838-R902 IonicContact OD1-CZ 3.71Å; D838-R902 IonicContact OD1-NH1 2.73Å; D838-R902 IonicContact OD1-NH2 2.93Å; D838-R902 PolarHBondContact OD1-NH2 2.9Å; D838-R902 IonicContact OD2-CZ 2.83Å; D838-R902 VanDerWaalsContact OD2-CZ 3.22Å; D838-R902 IonicContact OD2-NH1 2.74Å; D838-R902 PolarHBondContact OD2-NH1 3.24Å; D838-R902 IonicContact OD2-NH2 3.59Å; D838-R902 PolarHBondContact OD2-NH2 3.5Å; D838-Y905 VanDerWaalsContact OD1-CE2 3.28Å; D838-Y905 WeakPolarHBondContact OD1-CE2 3.36Å; D838-Y905 PolarHBondContact OD1-OH 3.44Å; D838-I981 HydrophobicContact CB-CD1 4.31Å; D838-H982 IonicContact OD1-CE1 3.69Å; D838-H982 IonicContact OD2-CE1 3.94Å; D838-H982 PolarHBondContact OD2-CE1 2.81Å
839	S	89.2	Confident	91	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-73.8	-33.8	-179.7	-57.3	0	0	0	0	112.3	N835 V836 Y837 K842 F843 L890	N835-S839 VanDerWaalsContact O-CB 3.22Å; N835-S839 WeakPolarHBondContact O-CB 3.49Å; N835-S839 PolarHBondContact O-N 2.89Å; N835-S839 PolarHBondContact O-OG 2.52Å; V836-S839 PolarHBondContact O-N 3.41Å; Y837-S839 VanDerWaalsContact C-N 3.3Å; Y837-S839 PolarHBondContact O-N 2.84Å; S839-K842 PolarHBondContact O-N 3.23Å; S839-K842 PolarHBondContact OG-NZ 3.33Å; S839-F843 PolarHBondContact O-N 3.16Å; S839-F843 VanDerWaalsContact O-N 3.11Å; S839-L890 WeakPolarHBondContact CB-O 3.25Å
840	I	87.4	Confident	90.9	Very high	3 Å²	3	6 Å²	6	2%	0.015	3%	0.028	C	C	.	.	H	α-helix	trans	-67.3	-37.9	169.1	-67.1	161.9	0	0	0	110.6	L352 L356 V429 V836 Y837 F843 L844	L352-I840 HydrophobicContact CD2-CB 4.24Å; L352-I840 HydrophobicContact CD2-CD1 3.46Å; L352-I840 VanDerWaalsContact CD2-CD1 3.46Å; L352-I840 HydrophobicContact CD2-CG1 4.45Å; L352-I840 HydrophobicContact CD2-CG2 4.07Å; L356-I840 HydrophobicContact CD1-CG2 4.05Å; V429-I840 HydrophobicContact CB-CD1 4.27Å; V429-I840 HydrophobicContact CG1-CD1 4.11Å; V429-I840 HydrophobicContact CG2-CD1 4.15Å; V836-I840 HydrophobicContact CG1-CD1 3.75Å; V836-I840 WeakPolarHBondContact O-CD1 3.3Å; V836-I840 WeakPolarHBondContact O-CG1 3.42Å; V836-I840 PolarHBondContact O-N 3.34Å; Y837-I840 PolarHBondContact O-N 2.95Å; I840-F843 PolarHBondContact O-N 2.66Å; I840-L844 HydrophobicContact CG2-CD1 3.97Å; I840-L844 WeakPolarHBondContact O-CB 3.17Å; I840-L844 WeakPolarHBondContact O-CD1 3.16Å; I840-L844 VanDerWaalsContact O-CG 3.3Å; I840-L844 WeakPolarHBondContact O-CG 3.47Å; I840-L844 PolarHBondContact O-N 2.89Å
841	S	88.9	Confident	90.7	Very high	5 Å²	5	6.3 Å²	6.3	4%	0.035	3%	0.03	C	C	.	.	H	α-helix	trans	-65.1	-35.5	172	-66	0	0	0	0	114	Y837 D838 Q845	Y837-S841 PolarHBondContact O-N 2.81Å; Y837-S841 PolarHBondContact O-OG 3.45Å; D838-S841 PolarHBondContact O-N 3.15Å; S841-Q845 PolarHBondContact O-N 3.23Å
842	K	90.7	Very high	90.6	Very high	19 Å²	19	7.3 Å²	7.3	8%	0.083	4%	0.038	C	C	.	.	H	α-helix	trans	-61	-52	172.2	-67.4	163.1	-146.5	157.6	0	110.7	D838 S839 L844 Q845 F846 L890 S978 I981	D838-K842 VanDerWaalsContact O-CG 3.31Å; D838-K842 WeakPolarHBondContact O-CG 3.49Å; D838-K842 PolarHBondContact O-N 2.97Å; S839-K842 PolarHBondContact O-N 3.23Å; S839-K842 PolarHBondContact OG-NZ 3.33Å; K842-L844 PolarHBondContact O-N 2.94Å; K842-Q845 WeakPolarHBondContact O-CB 3.33Å; K842-Q845 PolarHBondContact O-N 2.73Å; K842-Q845 VanDerWaalsContact O-N 3.16Å; K842-F846 PolarHBondContact O-N 3.46Å; K842-F846 VanDerWaalsContact O-N 3.16Å; K842-L890 HydrophobicContact CB-CB 4.48Å; K842-S978 WeakPolarHBondContact CB-O 3.47Å; K842-S978 WeakPolarHBondContact CG-O 3.24Å; K842-I981 HydrophobicContact CG-CG2 4.02Å
843	F	90.9	Very high	90.6	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.009	4%	0.035	C	C	.	.	H	α-helix	trans	-57.5	-48.7	177.9	168.8	-116	0	0	0	111.8	L425 A428 S839 I840 Q845 F846 Q847 M882 L890	L425-F843 HydrophobicContact CD2-CE1 3.8Å; L425-F843 HydrophobicContact CD2-CZ 4.48Å; A428-F843 HydrophobicContact CB-CD1 3.33Å; A428-F843 HydrophobicContact CB-CE1 3.25Å; A428-F843 HydrophobicContact CB-CG 4.14Å; A428-F843 HydrophobicContact CB-CZ 4.02Å; S839-F843 PolarHBondContact O-N 3.16Å; S839-F843 VanDerWaalsContact O-N 3.11Å; I840-F843 PolarHBondContact O-N 2.66Å; F843-Q845 VanDerWaalsContact C-N 3.3Å; F843-Q845 PolarHBondContact O-N 3.3Å; F843-F846 PolarHBondContact O-N 3.12Å; F843-Q847 HydrophobicContact CE2-CB 4.2Å; F843-Q847 VanDerWaalsContact CE2-OE1 3.31Å; F843-Q847 HydrophobicContact CZ-CB 4.26Å; F843-Q847 HydrophobicContact CZ-CG 4.29Å; F843-Q847 WeakPolarHBondContact O-CB 3.47Å; F843-Q847 PolarHBondContact O-N 2.91Å; F843-M882 WeakPolarHBondContact CE2-O 3.09Å; F843-L890 HydrophobicContact CB-CB 4.23Å
844	L	88.9	Confident	90.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-58.5	-37.6	175.4	-77.1	161.7	0	0	0	113.3	L356 L359 L425 I840 K842 F846 L848 L911 M916	L356-L844 HydrophobicContact CD2-CD1 4.07Å; L356-L844 HydrophobicContact CD2-CD2 3.86Å; L356-L844 HydrophobicContact CD2-CG 4.41Å; L359-L844 HydrophobicContact CD2-CD2 4Å; L425-L844 HydrophobicContact CD1-CD2 4.48Å; L425-L844 HydrophobicContact CD2-CD2 3.52Å; L425-L844 HydrophobicContact CD2-CG 4.5Å; I840-L844 HydrophobicContact CG2-CD1 3.97Å; I840-L844 WeakPolarHBondContact O-CB 3.17Å; I840-L844 WeakPolarHBondContact O-CD1 3.16Å; I840-L844 VanDerWaalsContact O-CG 3.3Å; I840-L844 WeakPolarHBondContact O-CG 3.47Å; I840-L844 PolarHBondContact O-N 2.89Å; K842-L844 PolarHBondContact O-N 2.94Å; L844-F846 VanDerWaalsContact C-N 3.33Å; L844-L848 HydrophobicContact CD2-CD1 4.47Å; L844-L848 VanDerWaalsContact O-CB 3.25Å; L844-L848 WeakPolarHBondContact O-CB 3.33Å; L844-L848 WeakPolarHBondContact O-CD1 3.27Å; L844-L848 WeakPolarHBondContact O-CG 3.39Å; L844-L848 PolarHBondContact O-N 2.96Å; L844-L911 HydrophobicContact CD1-CD1 4.02Å; L844-L911 HydrophobicContact CD1-CD2 3.65Å; L844-L911 HydrophobicContact CD1-CG 3.7Å; L844-M916 HydrophobicContact CB-CE 3.34Å; L844-M916 HydrophobicContact CD1-CE 4.45Å
845	Q	92.2	Very high	90.5	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-64.6	-43.7	179	-168.1	-169.5	-90.5	0	0	110.3	S841 K842 F843 T849 M916 N919 I920 S978	S841-Q845 PolarHBondContact O-N 3.23Å; K842-Q845 WeakPolarHBondContact O-CB 3.33Å; K842-Q845 PolarHBondContact O-N 2.73Å; K842-Q845 VanDerWaalsContact O-N 3.16Å; F843-Q845 VanDerWaalsContact C-N 3.3Å; F843-Q845 PolarHBondContact O-N 3.3Å; Q845-T849 PolarHBondContact O-N 3.33Å; Q845-T849 PolarHBondContact O-OG1 2.91Å; Q845-M916 HydrophobicContact CB-CE 4.24Å; Q845-M916 HydrophobicContact CB-CG 4.09Å; Q845-M916 HydrophobicContact CG-CG 4.05Å; Q845-N919 HydrophobicContact CG-CB 4.23Å; Q845-N919 PolarHBondContact OE1-ND2 3Å; Q845-I920 HydrophobicContact CG-CG1 3.94Å; Q845-S978 PolarHBondContact NE2-OG 2.96Å; Q845-S978 VanDerWaalsContact NE2-OG 3.08Å
846	F	93.4	Very high	90.4	Very high	1 Å²	1	10.1 Å²	10.1	0%	0.004	5%	0.054	C	C	.	.	H	α-helix	trans	-63.5	-61.3	175.6	-179.4	-116.1	0	0	0	111	K842 F843 L844 L848 T849 V850 M882 A886 L890 Q971 N974 E975	K842-F846 PolarHBondContact O-N 3.46Å; K842-F846 VanDerWaalsContact O-N 3.16Å; F843-F846 PolarHBondContact O-N 3.12Å; L844-F846 VanDerWaalsContact C-N 3.33Å; F846-L848 PolarHBondContact O-N 3.1Å; F846-T849 WeakPolarHBondContact O-CA 3.43Å; F846-T849 WeakPolarHBondContact O-CB 3.48Å; F846-T849 PolarHBondContact O-N 3.28Å; F846-V850 HydrophobicContact CD2-CG2 4.3Å; F846-V850 HydrophobicContact CE1-CG2 4.26Å; F846-V850 HydrophobicContact CE2-CG2 3.91Å; F846-V850 HydrophobicContact CZ-CG2 3.91Å; F846-V850 PolarHBondContact O-N 3.08Å; F846-V850 VanDerWaalsContact O-N 3.1Å; F846-M882 HydrophobicContact CE1-CB 4.11Å; F846-A886 HydrophobicContact CD1-CB 3.53Å; F846-A886 HydrophobicContact CE1-CB 3.3Å; F846-A886 HydrophobicContact CZ-CB 4.39Å; F846-L890 HydrophobicContact CB-CD1 3.82Å; F846-L890 HydrophobicContact CD1-CD1 4.24Å; F846-L890 HydrophobicContact CG-CD1 4.2Å; F846-Q971 HydrophobicContact CE2-CB 4.11Å; F846-Q971 VanDerWaalsContact CE2-O 3.25Å; F846-Q971 WeakPolarHBondContact CE2-O 3.31Å; F846-Q971 HydrophobicContact CZ-CB 4.08Å; F846-N974 HydrophobicContact CD2-CB 4.4Å; F846-N974 HydrophobicContact CE2-CB 4.23Å; F846-E975 HydrophobicContact CD1-CG 4.39Å; F846-E975 HydrophobicContact CD2-CB 4.14Å; F846-E975 HydrophobicContact CD2-CG 4.4Å; F846-E975 HydrophobicContact CE1-CG 4.27Å; F846-E975 HydrophobicContact CE2-CB 3.84Å; F846-E975 HydrophobicContact CE2-CG 4.3Å; F846-E975 HydrophobicContact CG-CG 4.44Å; F846-E975 HydrophobicContact CZ-CB 4.08Å; F846-E975 HydrophobicContact CZ-CG 4.22Å
847	Q	91.1	Very high	90.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-47.4	-54.1	-179.1	-173.9	73.1	38.9	0	0	112.2	P422 L425 F843 T849 V850 N851 M882 D883	P422-Q847 HydrophobicContact CB-CG 3.94Å; L425-Q847 HydrophobicContact CD2-CG 4.46Å; F843-Q847 HydrophobicContact CE2-CB 4.2Å; F843-Q847 VanDerWaalsContact CE2-OE1 3.31Å; F843-Q847 HydrophobicContact CZ-CB 4.26Å; F843-Q847 HydrophobicContact CZ-CG 4.29Å; F843-Q847 WeakPolarHBondContact O-CB 3.47Å; F843-Q847 PolarHBondContact O-N 2.91Å; Q847-T849 VanDerWaalsContact C-N 3.26Å; Q847-T849 PolarHBondContact O-N 3.26Å; Q847-V850 PolarHBondContact O-N 3.33Å; Q847-V850 VanDerWaalsContact O-N 3.12Å; Q847-N851 PolarHBondContact NE2-OD1 2.96Å; Q847-N851 PolarHBondContact O-N 2.69Å; Q847-N851 PolarHBondContact O-OD1 2.74Å; Q847-M882 PolarHBondContact OE1-O 3.5Å; Q847-D883 PolarHBondContact NE2-OD1 3.09Å; Q847-D883 PolarHBondContact NE2-OD2 3.4Å
848	L	90.2	Very high	90.4	Very high	17 Å²	17	9.4 Å²	9.4	9%	0.089	5%	0.052	C	C	.	.	H	α-helix	trans	-66.7	-27.1	-176.9	-64.5	172.7	0	0	0	112.9	I363 L844 F846 V852 I912 M916 I920	I363-L848 HydrophobicContact CD1-CD2 3.55Å; L844-L848 HydrophobicContact CD2-CD1 4.47Å; L844-L848 VanDerWaalsContact O-CB 3.25Å; L844-L848 WeakPolarHBondContact O-CB 3.33Å; L844-L848 WeakPolarHBondContact O-CD1 3.27Å; L844-L848 WeakPolarHBondContact O-CG 3.39Å; L844-L848 PolarHBondContact O-N 2.96Å; F846-L848 PolarHBondContact O-N 3.1Å; L848-V852 WeakPolarHBondContact O-CB 3.44Å; L848-V852 WeakPolarHBondContact O-CG2 3.18Å; L848-V852 PolarHBondContact O-N 2.97Å; L848-V852 VanDerWaalsContact O-N 3.12Å; L848-I912 HydrophobicContact CD1-CD1 3.59Å; L848-I912 HydrophobicContact CD1-CG1 4.2Å; L848-M916 HydrophobicContact CD1-CE 4.48Å; L848-I920 HydrophobicContact CB-CD1 3.96Å; L848-I920 HydrophobicContact CB-CG1 4.43Å; L848-I920 HydrophobicContact CB-CG2 4.49Å; L848-I920 HydrophobicContact CD1-CD1 4.08Å
849	T	93.4	Very high	90.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.9	-47	172	-53	0	0	0	0	110.3	Q845 F846 Q847 V852 V853 H923 A924 N974	Q845-T849 PolarHBondContact O-N 3.33Å; Q845-T849 PolarHBondContact O-OG1 2.91Å; F846-T849 WeakPolarHBondContact O-CA 3.43Å; F846-T849 WeakPolarHBondContact O-CB 3.48Å; F846-T849 PolarHBondContact O-N 3.28Å; Q847-T849 VanDerWaalsContact C-N 3.26Å; Q847-T849 PolarHBondContact O-N 3.26Å; T849-V852 PolarHBondContact O-N 3.01Å; T849-V853 WeakPolarHBondContact O-CG2 3.37Å; T849-V853 PolarHBondContact O-N 2.95Å; T849-V853 VanDerWaalsContact O-N 3.09Å; T849-H923 HydrophobicContact CG2-CB 3.76Å; T849-A924 HydrophobicContact CG2-CB 4.47Å; T849-N974 WeakPolarHBondContact CG2-ND2 3.28Å
850	V	92.4	Very high	90.2	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-64.7	-47.8	179	-166.7	0	0	0	0	111.2	F846 Q847 V852 V853 A854 V878 M882 F967 Q971	F846-V850 HydrophobicContact CD2-CG2 4.3Å; F846-V850 HydrophobicContact CE1-CG2 4.26Å; F846-V850 HydrophobicContact CE2-CG2 3.91Å; F846-V850 HydrophobicContact CZ-CG2 3.91Å; F846-V850 PolarHBondContact O-N 3.08Å; F846-V850 VanDerWaalsContact O-N 3.1Å; Q847-V850 PolarHBondContact O-N 3.33Å; Q847-V850 VanDerWaalsContact O-N 3.12Å; V850-V852 PolarHBondContact O-N 2.89Å; V850-V853 PolarHBondContact O-N 2.92Å; V850-A854 WeakPolarHBondContact O-CB 3.37Å; V850-A854 PolarHBondContact O-N 2.9Å; V850-V878 HydrophobicContact CG1-CG1 4.03Å; V850-M882 HydrophobicContact CB-CB 4.47Å; V850-M882 HydrophobicContact CB-CE 3.82Å; V850-M882 HydrophobicContact CB-SD 3.96Å; V850-M882 HydrophobicContact CG1-CB 4.44Å; V850-M882 HydrophobicContact CG1-CE 3.8Å; V850-M882 HydrophobicContact CG1-SD 3.38Å; V850-M882 WeakPolarHBondContact CG1-SD 3.31Å; V850-M882 HydrophobicContact CG2-CB 4.36Å; V850-F967 HydrophobicContact CG1-CZ 4.27Å; V850-Q971 HydrophobicContact CG1-CG 4.21Å; V850-Q971 HydrophobicContact CG2-CG 4.09Å
851	N	89.4	Confident	89.9	Confident	8 Å²	8	12.8 Å²	12.8	4%	0.043	7%	0.069	C	C	.	.	H	α-helix	trans	-54.4	-49.4	175.8	-76.4	62.1	0	0	0	111.6	V419 A420 Q847 V855 M882	V419-N851 PolarHBondContact O-ND2 3.18Å; A420-N851 PolarHBondContact O-ND2 2.79Å; Q847-N851 PolarHBondContact NE2-OD1 2.96Å; Q847-N851 PolarHBondContact O-N 2.69Å; Q847-N851 PolarHBondContact O-OD1 2.74Å; N851-V855 WeakPolarHBondContact O-CB 3.38Å; N851-V855 VanDerWaalsContact O-CG2 3.25Å; N851-V855 WeakPolarHBondContact O-CG2 2.98Å; N851-V855 PolarHBondContact O-N 3.23Å; N851-M882 WeakPolarHBondContact OD1-CE 3.44Å
852	V	91.8	Very high	89.5	Confident	51 Å²	51	12.7 Å²	12.7	31%	0.309	7%	0.069	S	C	.	.	H	α-helix	trans	-62.5	-46.1	-177.6	165.7	0	0	0	0	111.4	L848 T849 V850 I856 A924	L848-V852 WeakPolarHBondContact O-CB 3.44Å; L848-V852 WeakPolarHBondContact O-CG2 3.18Å; L848-V852 PolarHBondContact O-N 2.97Å; L848-V852 VanDerWaalsContact O-N 3.12Å; T849-V852 PolarHBondContact O-N 3.01Å; V850-V852 PolarHBondContact O-N 2.89Å; V852-I856 HydrophobicContact CG1-CD1 3.86Å; V852-I856 WeakPolarHBondContact O-CB 3.5Å; V852-I856 WeakPolarHBondContact O-CD1 3.48Å; V852-I856 VanDerWaalsContact O-CG1 3.23Å; V852-I856 WeakPolarHBondContact O-CG1 3.4Å; V852-I856 PolarHBondContact O-N 3Å; V852-A924 HydrophobicContact CG1-CB 4.06Å
853	V	93.5	Very high	89.1	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-69.8	-47	-179	178.7	0	0	0	0	110.8	T849 V850 V855 I856 V857 A924 Q927 L928 F967	T849-V853 WeakPolarHBondContact O-CG2 3.37Å; T849-V853 PolarHBondContact O-N 2.95Å; T849-V853 VanDerWaalsContact O-N 3.09Å; V850-V853 PolarHBondContact O-N 2.92Å; V853-V855 PolarHBondContact O-N 3.36Å; V853-I856 PolarHBondContact O-N 3.25Å; V853-V857 HydrophobicContact CG1-CG2 3.97Å; V853-V857 WeakPolarHBondContact O-CB 3.39Å; V853-V857 VanDerWaalsContact O-CG2 3.26Å; V853-V857 WeakPolarHBondContact O-CG2 3.26Å; V853-V857 PolarHBondContact O-N 2.89Å; V853-A924 VanDerWaalsContact CG2-CA 3.45Å; V853-A924 HydrophobicContact CG2-CB 3.53Å; V853-Q927 HydrophobicContact CB-CB 4.48Å; V853-Q927 HydrophobicContact CG1-CB 3.84Å; V853-Q927 HydrophobicContact CG2-CB 3.89Å; V853-L928 HydrophobicContact CG1-CD2 4.06Å; V853-L928 HydrophobicContact CG1-CG 4.27Å; V853-L928 HydrophobicContact CG2-CG 4.41Å; V853-F967 HydrophobicContact CB-CE2 4.38Å; V853-F967 HydrophobicContact CG1-CE2 3.74Å
854	A	90.1	Very high	88.7	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.5	-41.9	-177.3	0	0	0	0	0	112.6	V419 V850 A858 M875 F967	V419-A854 HydrophobicContact CG1-CB 3.53Å; V850-A854 WeakPolarHBondContact O-CB 3.37Å; V850-A854 PolarHBondContact O-N 2.9Å; A854-A858 VanDerWaalsContact O-CB 3.29Å; A854-A858 WeakPolarHBondContact O-CB 3.48Å; A854-A858 PolarHBondContact O-N 3.29Å; A854-M875 HydrophobicContact CB-CE 4.18Å; A854-F967 HydrophobicContact CB-CZ 4.13Å
855	V	89.8	Confident	88.1	Confident	19 Å²	19	18.9 Å²	18.9	12%	0.115	11%	0.106	C	C	.	.	H	α-helix	trans	-66	-41.8	176.3	172.1	0	0	0	0	111.4	M370 V416 A420 N851 V853 F859	M370-V855 HydrophobicContact CB-CG1 4.21Å; M370-V855 HydrophobicContact CG-CG1 4.33Å; V416-V855 HydrophobicContact CG1-CG1 4.48Å; A420-V855 HydrophobicContact CB-CG2 3.73Å; N851-V855 WeakPolarHBondContact O-CB 3.38Å; N851-V855 VanDerWaalsContact O-CG2 3.25Å; N851-V855 WeakPolarHBondContact O-CG2 2.98Å; N851-V855 PolarHBondContact O-N 3.23Å; V853-V855 PolarHBondContact O-N 3.36Å; V855-F859 WeakPolarHBondContact O-CB 3.49Å; V855-F859 PolarHBondContact O-N 2.89Å
856	I	91.4	Very high	87.2	Confident	61 Å²	61	22.2 Å²	22.2	31%	0.313	12%	0.121	S	C	.	.	H	α-helix	trans	-70	-41.5	178.6	-66.7	169.2	0	0	0	111.2	V852 V853 F859 T860 L928 F932	V852-I856 HydrophobicContact CG1-CD1 3.86Å; V852-I856 WeakPolarHBondContact O-CB 3.5Å; V852-I856 WeakPolarHBondContact O-CD1 3.48Å; V852-I856 VanDerWaalsContact O-CG1 3.23Å; V852-I856 WeakPolarHBondContact O-CG1 3.4Å; V852-I856 PolarHBondContact O-N 3Å; V853-I856 PolarHBondContact O-N 3.25Å; I856-F859 PolarHBondContact O-N 2.94Å; I856-T860 VanDerWaalsContact O-CB 3.28Å; I856-T860 WeakPolarHBondContact O-CB 3.48Å; I856-T860 PolarHBondContact O-N 2.92Å; I856-T860 PolarHBondContact O-OG1 3.17Å; I856-L928 HydrophobicContact CB-CD1 4.39Å; I856-L928 HydrophobicContact CB-CD2 3.88Å; I856-L928 HydrophobicContact CD1-CD1 4Å; I856-L928 HydrophobicContact CG2-CD1 4Å; I856-L928 HydrophobicContact CG2-CD2 3.55Å; I856-L928 HydrophobicContact CG2-CG 4.45Å; I856-F932 HydrophobicContact CG2-CZ 4.17Å
857	V	90.1	Very high	86.3	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-61.1	-46.5	175.8	168.3	0	0	0	0	111.1	V853 G861 P869 L870 L928 I931	V853-V857 HydrophobicContact CG1-CG2 3.97Å; V853-V857 WeakPolarHBondContact O-CB 3.39Å; V853-V857 VanDerWaalsContact O-CG2 3.26Å; V853-V857 WeakPolarHBondContact O-CG2 3.26Å; V853-V857 PolarHBondContact O-N 2.89Å; V857-G861 WeakPolarHBondContact O-CA 3.47Å; V857-G861 PolarHBondContact O-N 2.93Å; V857-P869 HydrophobicContact CG1-CG 3.7Å; V857-L870 HydrophobicContact CG1-CD1 4.36Å; V857-L928 HydrophobicContact CG2-CD2 3.77Å; V857-I931 HydrophobicContact CG1-CG2 3.9Å; V857-I931 HydrophobicContact CG2-CB 4.3Å; V857-I931 HydrophobicContact CG2-CG2 3.71Å
858	A	85	Confident	85.7	Confident	3 Å²	3	23.4 Å²	23.4	3%	0.025	13%	0.128	C	C	.	.	H	α-helix	trans	-66.7	-42.6	178.8	0	0	0	0	0	112.2	V416 A854 A862 M875	V416-A858 HydrophobicContact CG2-CB 3.7Å; A854-A858 VanDerWaalsContact O-CB 3.29Å; A854-A858 WeakPolarHBondContact O-CB 3.48Å; A854-A858 PolarHBondContact O-N 3.29Å; A858-A862 VanDerWaalsContact O-CB 3.22Å; A858-A862 WeakPolarHBondContact O-CB 3.27Å; A858-A862 PolarHBondContact O-N 3.43Å; A858-M875 HydrophobicContact CB-CE 4.28Å
859	F	86.5	Confident	85.3	Confident	45 Å²	45	22.7 Å²	22.7	20%	0.197	12%	0.124	C	C	.	.	H	α-helix	trans	-64.1	-54	176.5	175.3	-103.2	0	0	0	112.2	M370 L373 I377 V855 I856 G861 A862 C863	M370-F859 HydrophobicContact CE-CB 4.03Å; M370-F859 HydrophobicContact CE-CD1 3.91Å; M370-F859 HydrophobicContact CE-CD2 3.53Å; M370-F859 HydrophobicContact CE-CE1 4.24Å; M370-F859 HydrophobicContact CE-CE2 3.89Å; M370-F859 HydrophobicContact CE-CG 3.53Å; M370-F859 HydrophobicContact CE-CZ 4.23Å; L373-F859 HydrophobicContact CD2-CE2 3.85Å; L373-F859 HydrophobicContact CD2-CZ 4.09Å; L373-F859 HydrophobicContact CG-CE2 4.05Å; I377-F859 HydrophobicContact CD1-CE2 3.92Å; I377-F859 HydrophobicContact CD1-CZ 4.13Å; V855-F859 WeakPolarHBondContact O-CB 3.49Å; V855-F859 PolarHBondContact O-N 2.89Å; I856-F859 PolarHBondContact O-N 2.94Å; F859-G861 VanDerWaalsContact C-N 3.32Å; F859-G861 PolarHBondContact O-N 3.3Å; F859-A862 PolarHBondContact O-N 3.4Å; F859-C863 WeakPolarHBondContact O-CB 3.1Å; F859-C863 PolarHBondContact O-N 3.05Å; F859-C863 PolarHBondContact O-SG 3.49Å
860	T	87	Confident	84.9	Confident	32 Å²	32	22.9 Å²	22.9	20%	0.196	13%	0.125	C	C	.	.	H	α-helix	trans	-67	-33.8	-178.9	-63.2	0	0	0	0	111.8	I856 I864 F932	I856-T860 VanDerWaalsContact O-CB 3.28Å; I856-T860 WeakPolarHBondContact O-CB 3.48Å; I856-T860 PolarHBondContact O-N 2.92Å; I856-T860 PolarHBondContact O-OG1 3.17Å; T860-I864 HydrophobicContact CG2-CD1 3.71Å; T860-I864 WeakPolarHBondContact O-CB 3.22Å; T860-I864 WeakPolarHBondContact O-CG1 3.41Å; T860-I864 PolarHBondContact O-N 3.1Å; T860-F932 HydrophobicContact CG2-CD1 4.46Å; T860-F932 HydrophobicContact CG2-CE1 3.61Å; T860-F932 HydrophobicContact CG2-CE2 4.48Å; T860-F932 HydrophobicContact CG2-CZ 3.62Å
861	G	82.4	Confident	84.4	Confident	2 Å²	2	24.7 Å²	24.7	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-60.2	-58.2	169.1	0	0	0	0	0	111.7	V857 F859 C863 I864 T865 D867	V857-G861 WeakPolarHBondContact O-CA 3.47Å; V857-G861 PolarHBondContact O-N 2.93Å; F859-G861 VanDerWaalsContact C-N 3.32Å; F859-G861 PolarHBondContact O-N 3.3Å; G861-C863 VanDerWaalsContact C-N 3.25Å; G861-C863 PolarHBondContact O-N 3.36Å; G861-I864 PolarHBondContact O-N 2.82Å; G861-T865 PolarHBondContact O-N 3.24Å; G861-T865 PolarHBondContact O-OG1 3.2Å; G861-D867 CarbonylContact C-O 3.59Å
862	A	80.2	Confident	83.8	Confident	4 Å²	4	24.6 Å²	24.6	3%	0.033	13%	0.134	C	C	.	.	H	α-helix	trans	-52.9	-41.2	178.2	0	0	0	0	0	113.1	T374 L378 A858 F859 I864 Q866	T374-A862 HydrophobicContact CG2-CB 3.58Å; L378-A862 HydrophobicContact CD1-CB 4.04Å; L378-A862 HydrophobicContact CD2-CB 3.96Å; L378-A862 WeakPolarHBondContact CD2-O 3.3Å; L378-A862 HydrophobicContact CG-CB 4.09Å; A858-A862 VanDerWaalsContact O-CB 3.22Å; A858-A862 WeakPolarHBondContact O-CB 3.27Å; A858-A862 PolarHBondContact O-N 3.43Å; F859-A862 PolarHBondContact O-N 3.4Å; A862-I864 VanDerWaalsContact C-N 3.34Å; A862-I864 PolarHBondContact O-N 3.01Å; A862-Q866 WeakPolarHBondContact O-CA 3.37Å; A862-Q866 PolarHBondContact O-N 2.98Å
863	C	81.7	Confident	83.3	Confident	38 Å²	38	22.5 Å²	22.5	26%	0.257	12%	0.121	S	C	.	.	H	α-helix	trans	-70.1	-20	178.8	-69.3	0	0	0	0	115.1	F859 G861	F859-C863 WeakPolarHBondContact O-CB 3.1Å; F859-C863 PolarHBondContact O-N 3.05Å; F859-C863 PolarHBondContact O-SG 3.49Å; G861-C863 VanDerWaalsContact C-N 3.25Å; G861-C863 PolarHBondContact O-N 3.36Å
864	I	83.3	Confident	83	Confident	96 Å²	96	22.7 Å²	22.7	49%	0.492	12%	0.121	S	C	.	.	H	α-helix	trans	-118.1	-37.4	-172.6	-60.8	174.3	0	0	0	112.7	T860 G861 A862 F936	T860-I864 HydrophobicContact CG2-CD1 3.71Å; T860-I864 WeakPolarHBondContact O-CB 3.22Å; T860-I864 WeakPolarHBondContact O-CG1 3.41Å; T860-I864 PolarHBondContact O-N 3.1Å; G861-I864 PolarHBondContact O-N 2.82Å; A862-I864 VanDerWaalsContact C-N 3.34Å; A862-I864 PolarHBondContact O-N 3.01Å; I864-F936 HydrophobicContact CB-CE1 4.37Å; I864-F936 HydrophobicContact CB-CZ 4.25Å; I864-F936 HydrophobicContact CD1-CZ 3.86Å; I864-F936 HydrophobicContact CG2-CE1 3.63Å; I864-F936 HydrophobicContact CG2-CZ 3.9Å
865	T	74.8	Confident	82.7	Confident	17 Å²	17	22.8 Å²	22.8	10%	0.104	12%	0.122	C	C	.	.	H	α-helix	trans	-109.2	8.2	-178.2	46.4	0	0	0	0	113.9	G861 D867 F936 R948	G861-T865 PolarHBondContact O-N 3.24Å; G861-T865 PolarHBondContact O-OG1 3.2Å; T865-D867 PolarHBondContact O-N 3.42Å; T865-D867 PolarHBondContact OG1-O 2.9Å; T865-D867 VanDerWaalsContact OG1-O 3.05Å; T865-F936 HydrophobicContact CG2-CE1 4.43Å; T865-R948 HydrophobicContact CG2-CB 4.09Å; T865-R948 HydrophobicContact CG2-CG 4.03Å
866	Q	73.8	Confident	82.2	Confident	71 Å²	71	22.4 Å²	22.4	33%	0.332	12%	0.119	S	C	.	.	S	Bend	trans	57.7	7.1	-178.6	-55.9	176.4	-99.7	0	0	115.3	Y381 A862	Y381-Q866 HydrophobicContact CD1-CG 3.86Å; Y381-Q866 HydrophobicContact CE1-CG 3.72Å; A862-Q866 WeakPolarHBondContact O-CA 3.37Å; A862-Q866 PolarHBondContact O-N 2.98Å
867	D	74	Confident	82	Confident	20 Å²	20	21 Å²	21	11%	0.107	11%	0.11	C	C	.	.	S	Bend	trans	-154.7	155.8	-175.7	-159	-17.9	0	0	0	108.1	K408 G861 T865 K871	K408-D867 VanDerWaalsContact CE-OD2 3.24Å; K408-D867 WeakPolarHBondContact CE-OD2 3.46Å; K408-D867 IonicContact NZ-OD2 3.3Å; K408-D867 PolarHBondContact NZ-OD2 3.4Å; G861-D867 CarbonylContact C-O 3.59Å; T865-D867 PolarHBondContact O-N 3.42Å; T865-D867 PolarHBondContact OG1-O 2.9Å; T865-D867 VanDerWaalsContact OG1-O 3.05Å; D867-K871 IonicContact OD1-NZ 2.98Å; D867-K871 PolarHBondContact OD1-NZ 3.15Å; D867-K871 IonicContact OD2-NZ 2.77Å; D867-K871 PolarHBondContact OD2-NZ 2.75Å
868	S	80	Confident	81.9	Confident	5 Å²	5	21.2 Å²	21.2	4%	0.035	11%	0.111	C	C	.	.			trans	-80.8	136	175.1	175.8	0	0	0	0	110.1	L870	S868-L870 VanDerWaalsContact CB-O 3.3Å; S868-L870 WeakPolarHBondContact CB-O 3.44Å; S868-L870 PolarHBondContact O-N 3.38Å; S868-L870 PolarHBondContact OG-N 2.92Å; S868-L870 PolarHBondContact OG-O 3.49Å
869	P	81.3	Confident	81.8	Confident	2 Å²	2	21.4 Å²	21.4	1%	0.013	11%	0.112	C	C	.	.	S	Bend	trans	-69	-10.9	173.4	30.7	-36.6	0	0	0	113	V857 V935 Y960	V857-P869 HydrophobicContact CG1-CG 3.7Å; P869-V935 HydrophobicContact CB-CG2 3.88Å; P869-V935 HydrophobicContact CG-CG2 4.23Å; P869-Y960 HydrophobicContact CB-CD1 4.13Å; P869-Y960 HydrophobicContact CB-CE1 3.88Å
870	L	84.4	Confident	81.6	Confident	4 Å²	4	19.8 Å²	19.8	2%	0.021	11%	0.105	C	C	.	.	S	Bend	trans	-118.9	126.1	173.4	-59.3	175.9	0	0	0	109.3	V857 S868 M875 V963 F964 F967	V857-L870 HydrophobicContact CG1-CD1 4.36Å; S868-L870 VanDerWaalsContact CB-O 3.3Å; S868-L870 WeakPolarHBondContact CB-O 3.44Å; S868-L870 PolarHBondContact O-N 3.38Å; S868-L870 PolarHBondContact OG-N 2.92Å; S868-L870 PolarHBondContact OG-O 3.49Å; L870-M875 HydrophobicContact CB-CG 3.96Å; L870-M875 HydrophobicContact CB-SD 3.58Å; L870-M875 VanDerWaalsContact CB-SD 3.58Å; L870-M875 HydrophobicContact CD1-CE 4.45Å; L870-M875 HydrophobicContact CD1-SD 3.64Å; L870-M875 HydrophobicContact CG-SD 4.26Å; L870-V963 HydrophobicContact CD2-CG1 4.48Å; L870-F964 HydrophobicContact CD2-CB 3.92Å; L870-F964 HydrophobicContact CD2-CD2 4.27Å; L870-F967 HydrophobicContact CD1-CD1 3.87Å; L870-F967 HydrophobicContact CD1-CE1 3.96Å; L870-F967 HydrophobicContact CD1-CG 4.46Å
871	K	81.4	Confident	81.5	Confident	39 Å²	39	18.7 Å²	18.7	17%	0.17	10%	0.098	C	C	.	.			trans	-85	160.5	-175.8	-64.6	-63.6	179.2	-179.5	0	112.8	D867 V873 Q874 M875	D867-K871 IonicContact OD1-NZ 2.98Å; D867-K871 PolarHBondContact OD1-NZ 3.15Å; D867-K871 IonicContact OD2-NZ 2.77Å; D867-K871 PolarHBondContact OD2-NZ 2.75Å; K871-V873 VanDerWaalsContact C-N 3.34Å; K871-V873 PolarHBondContact O-N 2.77Å; K871-Q874 HydrophobicContact CB-CG 4.46Å; K871-Q874 WeakPolarHBondContact O-CA 3.46Å; K871-Q874 WeakPolarHBondContact O-CB 3.46Å; K871-Q874 PolarHBondContact O-N 3.24Å; K871-M875 WeakPolarHBondContact O-CG 3.42Å; K871-M875 PolarHBondContact O-N 2.93Å
872	A	77.2	Confident	81.6	Confident	7 Å²	7	18.7 Å²	18.7	6%	0.058	10%	0.098	C	C	.	.	H	α-helix	trans	-52.8	-47	-173.8	0	0	0	0	0	113.1	I155 I411 T415 Q874 M875 L876	I155-A872 HydrophobicContact CD1-CB 3.91Å; I155-A872 HydrophobicContact CG1-CB 4.05Å; I411-A872 HydrophobicContact CG2-CB 4.45Å; T415-A872 HydrophobicContact CG2-CB 4.47Å; A872-Q874 PolarHBondContact O-N 3.19Å; A872-M875 PolarHBondContact O-N 3.13Å; A872-L876 WeakPolarHBondContact O-CG 3.31Å; A872-L876 PolarHBondContact O-N 3.24Å
873	V	81.6	Confident	81.6	Confident	7 Å²	7	18.7 Å²	18.7	4%	0.042	10%	0.097	C	C	.	.	H	α-helix	trans	-61.7	-40.9	176.9	179.5	0	0	0	0	112.2	A154 I155 K871 M875 L876 W877 F1019	A154-V873 HydrophobicContact CB-CG2 3.67Å; I155-V873 HydrophobicContact CG1-CG2 4.22Å; K871-V873 VanDerWaalsContact C-N 3.34Å; K871-V873 PolarHBondContact O-N 2.77Å; V873-M875 VanDerWaalsContact C-N 3.34Å; V873-L876 PolarHBondContact O-N 3.23Å; V873-W877 PolarHBondContact O-N 3.26Å; V873-F1019 HydrophobicContact CG1-CD1 3.7Å; V873-F1019 HydrophobicContact CG1-CE1 3.9Å; V873-F1019 HydrophobicContact CG1-CG 4.33Å
874	Q	87.1	Confident	81.6	Confident	3 Å²	3	17.3 Å²	17.3	1%	0.014	9%	0.088	C	C	.	.	H	α-helix	trans	-66.4	-37.2	177.1	-64.6	168.1	-12.8	0	0	111.5	K871 A872 W877 V878 F964 F1019 S1020	K871-Q874 HydrophobicContact CB-CG 4.46Å; K871-Q874 WeakPolarHBondContact O-CA 3.46Å; K871-Q874 WeakPolarHBondContact O-CB 3.46Å; K871-Q874 PolarHBondContact O-N 3.24Å; A872-Q874 PolarHBondContact O-N 3.19Å; Q874-W877 PolarHBondContact O-N 2.91Å; Q874-V878 WeakPolarHBondContact O-CG2 3.06Å; Q874-V878 PolarHBondContact O-N 3.44Å; Q874-F964 HydrophobicContact CB-CD2 3.8Å; Q874-F964 HydrophobicContact CB-CE2 3.7Å; Q874-F964 HydrophobicContact CB-CZ 4.35Å; Q874-F964 HydrophobicContact CG-CD1 4.47Å; Q874-F964 HydrophobicContact CG-CD2 4.01Å; Q874-F964 HydrophobicContact CG-CE1 4.45Å; Q874-F964 HydrophobicContact CG-CE2 3.98Å; Q874-F964 HydrophobicContact CG-CG 4.25Å; Q874-F964 HydrophobicContact CG-CZ 4.21Å; Q874-F1019 WeakPolarHBondContact CG-O 3.39Å; Q874-F1019 PolarHBondContact NE2-O 3.01Å; Q874-S1020 PolarHBondContact NE2-O 3.39Å
875	M	83.1	Confident	81.8	Confident	3 Å²	3	15.4 Å²	15.4	2%	0.015	8%	0.076	C	C	.	.	H	α-helix	trans	-70.9	-34.5	177	-68	-65	-100.2	0	0	112.4	T415 V419 A854 A858 L870 K871 A872 V873 V878 N879	T415-M875 HydrophobicContact CG2-CB 3.56Å; T415-M875 HydrophobicContact CG2-CG 3.73Å; V419-M875 HydrophobicContact CB-CE 4.36Å; V419-M875 HydrophobicContact CG1-CE 4.27Å; V419-M875 HydrophobicContact CG2-CB 3.94Å; V419-M875 HydrophobicContact CG2-CE 4.04Å; A854-M875 HydrophobicContact CB-CE 4.18Å; A858-M875 HydrophobicContact CB-CE 4.28Å; L870-M875 HydrophobicContact CB-CG 3.96Å; L870-M875 HydrophobicContact CB-SD 3.58Å; L870-M875 VanDerWaalsContact CB-SD 3.58Å; L870-M875 HydrophobicContact CD1-CE 4.45Å; L870-M875 HydrophobicContact CD1-SD 3.64Å; L870-M875 HydrophobicContact CG-SD 4.26Å; K871-M875 WeakPolarHBondContact O-CG 3.42Å; K871-M875 PolarHBondContact O-N 2.93Å; A872-M875 PolarHBondContact O-N 3.13Å; V873-M875 VanDerWaalsContact C-N 3.34Å; M875-V878 PolarHBondContact O-N 3.05Å; M875-N879 WeakPolarHBondContact O-CB 3.44Å; M875-N879 PolarHBondContact O-N 2.96Å
876	L	80.9	Confident	82.3	Confident	11 Å²	11	14.6 Å²	14.6	6%	0.058	7%	0.071	C	C	.	.	H	α-helix	trans	-67.5	-38.2	171	-68.1	171.3	0	0	0	112.2	L109 I155 V418 A872 V873 N879 L880	L109-L876 HydrophobicContact CD2-CD1 4.15Å; L109-L876 HydrophobicContact CD2-CD2 3.86Å; I155-L876 HydrophobicContact CG2-CD1 4.45Å; V418-L876 HydrophobicContact CG1-CD2 4.08Å; A872-L876 WeakPolarHBondContact O-CG 3.31Å; A872-L876 PolarHBondContact O-N 3.24Å; V873-L876 PolarHBondContact O-N 3.23Å; L876-N879 PolarHBondContact O-N 3.22Å; L876-L880 PolarHBondContact O-N 3.35Å
877	W	87.4	Confident	82.9	Confident	30 Å²	30	11.2 Å²	11.2	11%	0.114	6%	0.055	C	C	.	.	H	α-helix	trans	-63.2	-43.1	171.8	171.6	-116.7	0	0	0	112.1	V873 Q874 L880 I881 F885 F964 T1004 C1007 I1011	V873-W877 PolarHBondContact O-N 3.26Å; Q874-W877 PolarHBondContact O-N 2.91Å; W877-L880 HydrophobicContact CE3-CD2 4.22Å; W877-L880 HydrophobicContact CZ3-CD2 4.18Å; W877-L880 PolarHBondContact O-N 3.01Å; W877-I881 HydrophobicContact CD2-CD1 4.16Å; W877-I881 HydrophobicContact CD2-CG1 4.42Å; W877-I881 HydrophobicContact CG-CD1 4.45Å; W877-I881 HydrophobicContact CH2-CG1 4.47Å; W877-I881 HydrophobicContact CZ2-CD1 3.85Å; W877-I881 HydrophobicContact CZ2-CG1 4.2Å; W877-I881 WeakPolarHBondContact O-CG1 3.42Å; W877-I881 PolarHBondContact O-N 2.99Å; W877-I881 VanDerWaalsContact O-N 3.11Å; W877-F885 HydrophobicContact CZ3-CE2 4.45Å; W877-F964 AromaticContact CD1-CZ 3.7Å; W877-T1004 HydrophobicContact CZ2-CG2 4.25Å; W877-C1007 HydrophobicContact CH2-CB 3.58Å; W877-C1007 HydrophobicContact CZ2-CB 3.82Å; W877-I1011 HydrophobicContact CD2-CD1 3.59Å; W877-I1011 HydrophobicContact CE3-CD1 4.02Å; W877-I1011 HydrophobicContact CG-CD1 4.13Å; W877-I1011 HydrophobicContact CH2-CD1 4Å; W877-I1011 HydrophobicContact CZ2-CD1 3.54Å; W877-I1011 HydrophobicContact CZ3-CD1 4.21Å
878	V	87	Confident	83.4	Confident	6 Å²	6	13 Å²	13	4%	0.036	7%	0.065	C	C	.	.	H	α-helix	trans	-59.9	-45.8	173.2	165.2	0	0	0	0	111.5	V850 Q874 M875 L880 I881 M882 F967 V968	V850-V878 HydrophobicContact CG1-CG1 4.03Å; Q874-V878 WeakPolarHBondContact O-CG2 3.06Å; Q874-V878 PolarHBondContact O-N 3.44Å; M875-V878 PolarHBondContact O-N 3.05Å; V878-L880 PolarHBondContact O-N 3.38Å; V878-I881 PolarHBondContact O-N 2.67Å; V878-M882 HydrophobicContact CG1-SD 3.65Å; V878-M882 VanDerWaalsContact O-CG 3.26Å; V878-M882 WeakPolarHBondContact O-CG 3.32Å; V878-M882 PolarHBondContact O-N 3.45Å; V878-F967 HydrophobicContact CG1-CE1 4.01Å; V878-F967 HydrophobicContact CG2-CD1 4.18Å; V878-F967 HydrophobicContact CG2-CE1 4.01Å; V878-V968 HydrophobicContact CG2-CG2 4.12Å
879	N	82.6	Confident	83.8	Confident	7 Å²	7	12.8 Å²	12.8	4%	0.037	6%	0.063	C	C	.	.	H	α-helix	trans	-56.5	-48	174.5	177.3	-58.1	0	0	0	111.2	V418 M875 L876 I881 M882 D883	V418-N879 PolarHBondContact O-ND2 3.42Å; M875-N879 WeakPolarHBondContact O-CB 3.44Å; M875-N879 PolarHBondContact O-N 2.96Å; L876-N879 PolarHBondContact O-N 3.22Å; N879-I881 VanDerWaalsContact C-N 3.31Å; N879-I881 PolarHBondContact O-N 3.25Å; N879-M882 WeakPolarHBondContact O-CG 3.21Å; N879-M882 PolarHBondContact O-N 2.8Å; N879-D883 WeakPolarHBondContact O-CB 3.42Å; N879-D883 PolarHBondContact O-N 2.91Å
880	L	82.4	Confident	84.1	Confident	11 Å²	11	12.7 Å²	12.7	6%	0.058	6%	0.062	C	C	.	.	I	π-helix	trans	-59.2	-39.8	179.2	-171.9	67.1	0	0	0	112.9	I161 V162 V165 L876 W877 V878 T884 F885	I161-L880 HydrophobicContact CG2-CD2 4.45Å; V162-L880 HydrophobicContact CG2-CD1 4.46Å; V165-L880 HydrophobicContact CB-CD1 4.2Å; V165-L880 HydrophobicContact CG1-CD1 4Å; L876-L880 PolarHBondContact O-N 3.35Å; W877-L880 HydrophobicContact CE3-CD2 4.22Å; W877-L880 HydrophobicContact CZ3-CD2 4.18Å; W877-L880 PolarHBondContact O-N 3.01Å; V878-L880 PolarHBondContact O-N 3.38Å; L880-T884 PolarHBondContact O-N 2.92Å; L880-F885 HydrophobicContact CD2-CE2 4.02Å; L880-F885 HydrophobicContact CD2-CZ 4.18Å; L880-F885 HydrophobicContact CG-CD2 4.46Å; L880-F885 HydrophobicContact CG-CE2 3.94Å; L880-F885 HydrophobicContact CG-CZ 4.2Å; L880-F885 PolarHBondContact O-N 3.37Å; L880-F885 VanDerWaalsContact O-N 3.16Å
881	I	85.1	Confident	84.1	Confident	9 Å²	9	12.5 Å²	12.5	5%	0.046	6%	0.062	C	C	.	.	I	π-helix	trans	-63.1	-53.4	174	-65.8	168.5	0	0	0	110.7	W877 V878 N879 F885 A886 V968 T1004	W877-I881 HydrophobicContact CD2-CD1 4.16Å; W877-I881 HydrophobicContact CD2-CG1 4.42Å; W877-I881 HydrophobicContact CG-CD1 4.45Å; W877-I881 HydrophobicContact CH2-CG1 4.47Å; W877-I881 HydrophobicContact CZ2-CD1 3.85Å; W877-I881 HydrophobicContact CZ2-CG1 4.2Å; W877-I881 WeakPolarHBondContact O-CG1 3.42Å; W877-I881 PolarHBondContact O-N 2.99Å; W877-I881 VanDerWaalsContact O-N 3.11Å; V878-I881 PolarHBondContact O-N 2.67Å; N879-I881 VanDerWaalsContact C-N 3.31Å; N879-I881 PolarHBondContact O-N 3.25Å; I881-F885 PolarHBondContact O-N 2.92Å; I881-A886 PolarHBondContact O-N 3.46Å; I881-V968 HydrophobicContact CD1-CG1 3.91Å; I881-T1004 HydrophobicContact CD1-CG2 3.48Å; I881-T1004 VanDerWaalsContact CD1-CG2 3.48Å; I881-T1004 HydrophobicContact CG1-CG2 3.61Å; I881-T1004 HydrophobicContact CG2-CG2 4.1Å
882	M	84.6	Confident	84.4	Confident	2 Å²	2	10.8 Å²	10.8	1%	0.01	5%	0.054	C	C	.	.	I	π-helix	trans	-75	-48	-169.9	67.9	-157.4	-102.9	0	0	112.8	F843 F846 Q847 V850 N851 V878 N879 A886	F843-M882 WeakPolarHBondContact CE2-O 3.09Å; F846-M882 HydrophobicContact CE1-CB 4.11Å; Q847-M882 PolarHBondContact OE1-O 3.5Å; V850-M882 HydrophobicContact CB-CB 4.47Å; V850-M882 HydrophobicContact CB-CE 3.82Å; V850-M882 HydrophobicContact CB-SD 3.96Å; V850-M882 HydrophobicContact CG1-CB 4.44Å; V850-M882 HydrophobicContact CG1-CE 3.8Å; V850-M882 HydrophobicContact CG1-SD 3.38Å; V850-M882 WeakPolarHBondContact CG1-SD 3.31Å; V850-M882 HydrophobicContact CG2-CB 4.36Å; N851-M882 WeakPolarHBondContact OD1-CE 3.44Å; V878-M882 HydrophobicContact CG1-SD 3.65Å; V878-M882 VanDerWaalsContact O-CG 3.26Å; V878-M882 WeakPolarHBondContact O-CG 3.32Å; V878-M882 PolarHBondContact O-N 3.45Å; N879-M882 WeakPolarHBondContact O-CG 3.21Å; N879-M882 PolarHBondContact O-N 2.8Å; M882-A886 WeakPolarHBondContact O-CB 3.39Å
883	D	80.5	Confident	84.7	Confident	4 Å²	4	11.3 Å²	11.3	2%	0.021	6%	0.055	C	C	.	.	I	π-helix	trans	-77.9	-47.9	-175.5	-78.2	69.7	0	0	0	112.2	P422 E423 G424 Q847 N879 S887	P422-D883 WeakPolarHBondContact CA-OD2 3.44Å; E423-D883 PolarHBondContact N-OD2 3.44Å; E423-D883 VanDerWaalsContact N-OD2 3.15Å; G424-D883 WeakPolarHBondContact CA-OD2 3.48Å; G424-D883 PolarHBondContact N-OD2 2.94Å; Q847-D883 PolarHBondContact NE2-OD1 3.09Å; Q847-D883 PolarHBondContact NE2-OD2 3.4Å; N879-D883 WeakPolarHBondContact O-CB 3.42Å; N879-D883 PolarHBondContact O-N 2.91Å; D883-S887 WeakPolarHBondContact O-CB 3.12Å; D883-S887 PolarHBondContact O-OG 3.15Å
884	T	81.7	Confident	85	Confident	10 Å²	10	12.8 Å²	12.8	6%	0.061	7%	0.065	C	C	.	.	I	π-helix	trans	-94.3	-51.1	-173.1	-66.7	0	0	0	0	113.7	V165 L880 S887 L888	V165-T884 HydrophobicContact CG1-CG2 3.82Å; L880-T884 PolarHBondContact O-N 2.92Å; T884-S887 PolarHBondContact O-OG 3.41Å; T884-S887 VanDerWaalsContact O-OG 3.07Å; T884-L888 PolarHBondContact O-N 3.22Å
885	F	86.7	Confident	85.1	Confident	55 Å²	55	13.8 Å²	13.8	24%	0.241	7%	0.072	C	C	.	.	I	π-helix	trans	-74.1	-45.4	-175.3	-63.9	-35.6	0	0	0	112.5	V165 W877 L880 I881 L888 A889 V1000	V165-F885 HydrophobicContact CG1-CE1 4.48Å; W877-F885 HydrophobicContact CZ3-CE2 4.45Å; L880-F885 HydrophobicContact CD2-CE2 4.02Å; L880-F885 HydrophobicContact CD2-CZ 4.18Å; L880-F885 HydrophobicContact CG-CD2 4.46Å; L880-F885 HydrophobicContact CG-CE2 3.94Å; L880-F885 HydrophobicContact CG-CZ 4.2Å; L880-F885 PolarHBondContact O-N 3.37Å; L880-F885 VanDerWaalsContact O-N 3.16Å; I881-F885 PolarHBondContact O-N 2.92Å; F885-L888 PolarHBondContact O-N 3.04Å; F885-A889 WeakPolarHBondContact O-CB 3.3Å; F885-A889 PolarHBondContact O-N 3.45Å; F885-V1000 HydrophobicContact CB-CG1 3.86Å
886	A	86.7	Confident	85.4	Confident	1 Å²	1	16.4 Å²	16.4	1%	0.008	9%	0.088	C	C	.	.	H	α-helix	trans	-73.3	-26.9	179.4	0	0	0	0	0	113.3	F846 I881 M882 A889 L890 E975	F846-A886 HydrophobicContact CD1-CB 3.53Å; F846-A886 HydrophobicContact CE1-CB 3.3Å; F846-A886 HydrophobicContact CZ-CB 4.39Å; I881-A886 PolarHBondContact O-N 3.46Å; M882-A886 WeakPolarHBondContact O-CB 3.39Å; A886-A889 PolarHBondContact O-N 3.27Å; A886-L890 HydrophobicContact CB-CD1 4.48Å; A886-L890 VanDerWaalsContact O-CB 3.27Å; A886-L890 WeakPolarHBondContact O-CB 3.31Å; A886-L890 WeakPolarHBondContact O-CG 3.32Å; A886-L890 PolarHBondContact O-N 2.93Å; A886-E975 HydrophobicContact CB-CG 4.24Å
887	S	84.5	Confident	85.7	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.5	-47.7	167.9	66.1	0	0	0	0	111	D883 T884 A889 A891	D883-S887 WeakPolarHBondContact O-CB 3.12Å; D883-S887 PolarHBondContact O-OG 3.15Å; T884-S887 PolarHBondContact O-OG 3.41Å; T884-S887 VanDerWaalsContact O-OG 3.07Å; S887-A889 VanDerWaalsContact C-N 3.32Å; S887-A889 PolarHBondContact O-N 3.1Å; S887-A891 WeakPolarHBondContact O-CB 3.5Å; S887-A891 PolarHBondContact O-N 3.04Å
888	L	84.5	Confident	85.7	Confident	57 Å²	57	23.9 Å²	23.9	30%	0.298	13%	0.132	S	C	.	.	H	α-helix	trans	-60.3	-39.1	175.5	179.1	62.2	0	0	0	112.6	I431 T884 F885 T892 I996	I431-L888 HydrophobicContact CG2-CD1 4.1Å; T884-L888 PolarHBondContact O-N 3.22Å; F885-L888 PolarHBondContact O-N 3.04Å; L888-T892 HydrophobicContact CD1-CG2 4.26Å; L888-T892 WeakPolarHBondContact O-CB 3.2Å; L888-T892 WeakPolarHBondContact O-CG2 3.34Å; L888-T892 PolarHBondContact O-OG1 3.21Å; L888-I996 HydrophobicContact CD1-CG2 4.42Å; L888-I996 HydrophobicContact CD2-CG2 4.42Å; L888-I996 HydrophobicContact CG-CG2 3.93Å
889	A	88.4	Confident	85.8	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-71.1	-50	-180	0	0	0	0	0	113.1	F885 A886 S887 T892 E975 N994 F997 V1000	F885-A889 WeakPolarHBondContact O-CB 3.3Å; F885-A889 PolarHBondContact O-N 3.45Å; A886-A889 PolarHBondContact O-N 3.27Å; S887-A889 VanDerWaalsContact C-N 3.32Å; S887-A889 PolarHBondContact O-N 3.1Å; A889-T892 PolarHBondContact O-OG1 3.26Å; A889-E975 VanDerWaalsContact CB-OE1 3.26Å; A889-E975 WeakPolarHBondContact CB-OE1 3.21Å; A889-N994 PolarHBondContact O-ND2 3.5Å; A889-F997 HydrophobicContact CB-CB 4.43Å; A889-F997 HydrophobicContact CB-CD2 3.84Å; A889-V1000 HydrophobicContact CB-CB 3.98Å; A889-V1000 HydrophobicContact CB-CG1 3.94Å; A889-V1000 HydrophobicContact CB-CG2 4.17Å
890	L	88.7	Confident	86.2	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-81.3	-29.5	-174.4	-64.6	171.8	0	0	0	113.1	S839 K842 F843 F846 A886 T892 E975 R979 F997	S839-L890 WeakPolarHBondContact CB-O 3.25Å; K842-L890 HydrophobicContact CB-CB 4.48Å; F843-L890 HydrophobicContact CB-CB 4.23Å; F846-L890 HydrophobicContact CB-CD1 3.82Å; F846-L890 HydrophobicContact CD1-CD1 4.24Å; F846-L890 HydrophobicContact CG-CD1 4.2Å; A886-L890 HydrophobicContact CB-CD1 4.48Å; A886-L890 VanDerWaalsContact O-CB 3.27Å; A886-L890 WeakPolarHBondContact O-CB 3.31Å; A886-L890 WeakPolarHBondContact O-CG 3.32Å; A886-L890 PolarHBondContact O-N 2.93Å; L890-T892 VanDerWaalsContact C-N 3.29Å; L890-T892 PolarHBondContact O-N 3.4Å; L890-E975 HydrophobicContact CD1-CG 4.09Å; L890-E975 HydrophobicContact CD2-CG 4.35Å; L890-E975 HydrophobicContact CG-CG 4.29Å; L890-R979 HydrophobicContact CD2-CG 3.85Å; L890-F997 HydrophobicContact CD2-CD2 4.16Å; L890-F997 HydrophobicContact CD2-CE2 3.81Å
891	A	84.6	Confident	86.6	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.008	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-15.5	178.6	0	0	0	0	0	114.6	I431 S432 S887	I431-A891 HydrophobicContact CG2-CB 4.46Å; S432-A891 PolarHBondContact OG-O 3.46Å; S887-A891 WeakPolarHBondContact O-CB 3.5Å; S887-A891 PolarHBondContact O-N 3.04Å
892	T	86.2	Confident	86.7	Confident	2 Å²	2	33 Å²	33	1%	0.012	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	7	-171.6	55.1	0	0	0	0	114.8	Y435 L888 A889 L890 N994 I996	Y435-T892 HydrophobicContact CD1-CG2 4.06Å; Y435-T892 HydrophobicContact CD2-CG2 3.97Å; Y435-T892 HydrophobicContact CE1-CG2 4.26Å; Y435-T892 WeakPolarHBondContact CE1-O 3.14Å; Y435-T892 HydrophobicContact CE2-CG2 4.18Å; Y435-T892 HydrophobicContact CG-CG2 3.89Å; Y435-T892 PolarHBondContact OH-O 3.12Å; Y435-T892 VanDerWaalsContact OH-O 3.12Å; L888-T892 HydrophobicContact CD1-CG2 4.26Å; L888-T892 WeakPolarHBondContact O-CB 3.2Å; L888-T892 WeakPolarHBondContact O-CG2 3.34Å; L888-T892 PolarHBondContact O-OG1 3.21Å; A889-T892 PolarHBondContact O-OG1 3.26Å; L890-T892 VanDerWaalsContact C-N 3.29Å; L890-T892 PolarHBondContact O-N 3.4Å; T892-N994 PolarHBondContact OG1-ND2 3Å; T892-I996 HydrophobicContact CG2-CD1 4.08Å
893	E	85	Confident	86.9	Confident	18 Å²	18	42.6 Å²	42.6	8%	0.084	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-56.8	134.7	173.9	-80.8	-71.1	146.7	0	0	112.2	N835 R979	N835-E893 PolarHBondContact ND2-O 3.37Å; E893-R979 IonicContact OE1-CZ 2.63Å; E893-R979 VanDerWaalsContact OE1-CZ 3.29Å; E893-R979 IonicContact OE1-NE 2.71Å; E893-R979 PolarHBondContact OE1-NE 3.13Å; E893-R979 IonicContact OE1-NH2 3.69Å; E893-R979 PolarHBondContact OE1-NH2 3.11Å; E893-R979 IonicContact OE2-CZ 2.82Å; E893-R979 IonicContact OE2-NH2 3.34Å; E893-R979 PolarHBondContact OE2-NH2 3.17Å
894	P	87.4	Confident	87.1	Confident	38 Å²	38	43.6 Å²	43.6	25%	0.247	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-76.4	150.7	176.9	31.2	-34.3	0	0	0	112.5	R993	P894-R993 HydrophobicContact CG-CB 4.13Å
895	P	90	Very high	86.9	Confident	25 Å²	25	44.4 Å²	44.4	16%	0.162	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-66.3	162.8	178.9	29.1	-37.2	0	0	0	113.2	M831 W832 N835 L899	M831-P895 HydrophobicContact CG-CB 3.93Å; M831-P895 HydrophobicContact SD-CB 3.91Å; M831-P895 HydrophobicContact SD-CG 4.41Å; W832-P895 HydrophobicContact CD2-CG 3.88Å; W832-P895 HydrophobicContact CE3-CG 4.19Å; W832-P895 HydrophobicContact CG-CG 4.42Å; W832-P895 HydrophobicContact CH2-CG 4.06Å; W832-P895 HydrophobicContact CZ2-CG 3.74Å; W832-P895 HydrophobicContact CZ3-CG 4.28Å; N835-P895 HydrophobicContact CB-CB 3.87Å; P895-L899 HydrophobicContact CB-CD1 4.11Å
896	T	87.7	Confident	86.4	Confident	57 Å²	57	42.1 Å²	42.1	35%	0.35	21%	0.206	S	C	.	.			trans	-139.2	148.5	177.9	54.8	0	0	0	0	111.4	S898 L899	T896-S898 WeakPolarHBondContact CB-OG 3.46Å; T896-S898 PolarHBondContact O-N 2.74Å; T896-S898 VanDerWaalsContact O-N 3.11Å; T896-S898 PolarHBondContact OG1-OG 3.03Å; T896-L899 VanDerWaalsContact O-CB 3.25Å; T896-L899 WeakPolarHBondContact O-CB 3.43Å; T896-L899 VanDerWaalsContact O-CG 3.23Å; T896-L899 WeakPolarHBondContact O-CG 3.48Å; T896-L899 PolarHBondContact O-N 3.1Å
897	E	88.3	Confident	85.7	Confident	128 Å²	128	45.6 Å²	45.6	60%	0.598	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-63	-19.6	-178.5	-61.9	-169.8	152.3	0	0	114	M831 L899 L900	M831-E897 HydrophobicContact CE-CG 4.08Å; E897-L899 PolarHBondContact O-N 3.26Å; E897-L900 WeakPolarHBondContact O-CB 3.29Å; E897-L900 PolarHBondContact O-N 2.71Å
898	S	87.9	Confident	85.2	Confident	70 Å²	70	49.9 Å²	49.9	49%	0.49	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-53.8	-29.1	168.6	18.8	0	0	0	0	113.1	T896 L900 K901	T896-S898 WeakPolarHBondContact CB-OG 3.46Å; T896-S898 PolarHBondContact O-N 2.74Å; T896-S898 VanDerWaalsContact O-N 3.11Å; T896-S898 PolarHBondContact OG1-OG 3.03Å; S898-L900 PolarHBondContact O-N 3Å; S898-K901 PolarHBondContact O-N 3.38Å; S898-K901 VanDerWaalsContact O-N 3.1Å
899	L	88.9	Confident	85	Confident	9 Å²	9	50.7 Å²	50.7	5%	0.047	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-64.2	-22.8	175.2	-59.5	174.7	0	0	0	112.9	M831 R834 N835 D838 P895 T896 E897	M831-L899 HydrophobicContact CG-CB 4.36Å; M831-L899 HydrophobicContact CG-CD1 4.3Å; R834-L899 HydrophobicContact CB-CB 4.23Å; R834-L899 HydrophobicContact CB-CD1 4.48Å; R834-L899 VanDerWaalsContact CD-O 3.32Å; R834-L899 WeakPolarHBondContact CD-O 3.4Å; R834-L899 PolarHBondContact NH1-O 3.33Å; N835-L899 HydrophobicContact CB-CD1 3.72Å; D838-L899 WeakPolarHBondContact OD2-CD2 3.44Å; P895-L899 HydrophobicContact CB-CD1 4.11Å; T896-L899 VanDerWaalsContact O-CB 3.25Å; T896-L899 WeakPolarHBondContact O-CB 3.43Å; T896-L899 VanDerWaalsContact O-CG 3.23Å; T896-L899 WeakPolarHBondContact O-CG 3.48Å; T896-L899 PolarHBondContact O-N 3.1Å; E897-L899 PolarHBondContact O-N 3.26Å
900	L	90.8	Very high	84.6	Confident	10 Å²	10	51 Å²	51	5%	0.052	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-88.7	-7.7	176	-57.9	-177.4	0	0	0	113.2	A688 V827 V830 M831 E897 S898 R902	A688-L900 WeakPolarHBondContact CA-O 3.21Å; A688-L900 HydrophobicContact CB-CB 4.38Å; A688-L900 HydrophobicContact CB-CD2 4.36Å; A688-L900 WeakPolarHBondContact CB-O 3.25Å; A688-L900 PolarHBondContact N-O 2.93Å; V827-L900 HydrophobicContact CG1-CD1 3.73Å; V830-L900 HydrophobicContact CG1-CD2 3.95Å; M831-L900 HydrophobicContact CB-CD2 4.29Å; M831-L900 HydrophobicContact CE-CD1 3.76Å; M831-L900 HydrophobicContact CE-CG 4.3Å; M831-L900 HydrophobicContact CG-CD2 4.46Å; M831-L900 HydrophobicContact CG-CG 4.35Å; E897-L900 WeakPolarHBondContact O-CB 3.29Å; E897-L900 PolarHBondContact O-N 2.71Å; S898-L900 PolarHBondContact O-N 3Å; L900-R902 VanDerWaalsContact C-N 3.31Å; L900-R902 PolarHBondContact O-N 2.89Å
901	K	90.6	Very high	84.3	Confident	153 Å²	153	51.1 Å²	51.1	67%	0.665	25%	0.246	S	C	*	.	S	Bend	trans	-86.9	3	179.1	-61.3	-173.5	-180	-177.9	0	114	S898	S898-K901 PolarHBondContact O-N 3.38Å; S898-K901 VanDerWaalsContact O-N 3.1Å
902	R	87.6	Confident	84.4	Confident	53 Å²	53	51.5 Å²	51.5	20%	0.2	25%	0.247	C	C	.	.	S	Bend	trans	-122.8	160.5	178.5	67.4	177.6	-166.4	-133.1	-0.5	111.4	R834 D838 L900 Y905 H982	R834-R902 PolarHBondContact NH1-O 3.32Å; D838-R902 IonicContact OD1-CZ 3.71Å; D838-R902 IonicContact OD1-NH1 2.73Å; D838-R902 IonicContact OD1-NH2 2.93Å; D838-R902 PolarHBondContact OD1-NH2 2.9Å; D838-R902 IonicContact OD2-CZ 2.83Å; D838-R902 VanDerWaalsContact OD2-CZ 3.22Å; D838-R902 IonicContact OD2-NH1 2.74Å; D838-R902 PolarHBondContact OD2-NH1 3.24Å; D838-R902 IonicContact OD2-NH2 3.59Å; D838-R902 PolarHBondContact OD2-NH2 3.5Å; L900-R902 VanDerWaalsContact C-N 3.31Å; L900-R902 PolarHBondContact O-N 2.89Å; R902-Y905 VanDerWaalsContact CZ-OH 3.27Å; R902-Y905 PolarHBondContact NH1-OH 2.94Å; R902-Y905 PolarHBondContact NH2-OH 3.29Å; R902-H982 PolarHBondContact NH1-CE1 2.7Å; R902-H982 VanDerWaalsContact NH1-CE1 3.27Å
903	R	88.1	Confident	84.3	Confident	204 Å²	204	52.9 Å²	52.9	77%	0.77	26%	0.257	S	S	*	.			trans	-70	158.4	168.1	-69.3	-174.3	-179.7	-172.3	0	111
904	P	85.4	Confident	84.3	Confident	24 Å²	24	57.6 Å²	57.6	16%	0.156	27%	0.274	C	S	.	.			trans	-61.1	164.3	171.2	26.6	-34.6	0	0	0	111.9	T460	T460-P904 HydrophobicContact CG2-CG 3.88Å
905	Y	76.8	Confident	84.3	Confident	28 Å²	28	57.7 Å²	57.7	11%	0.11	27%	0.274	C	S	.	.			trans	-83.6	-33	-176.3	-70.9	-53.2	0	0	0	114.1	N458 Y837 D838 R902 K909 H982	N458-Y905 PolarHBondContact OD1-N 3.04Å; Y837-Y905 AromaticContact CD1-CD2 3.52Å; Y837-Y905 HydrophobicContact CD1-CD2 3.52Å; Y837-Y905 AromaticContact CD1-CE2 3.27Å; Y837-Y905 HydrophobicContact CD1-CE2 3.27Å; Y837-Y905 AromaticContact CE1-CD2 3.55Å; Y837-Y905 HydrophobicContact CE1-CD2 3.55Å; Y837-Y905 AromaticContact CE1-CE2 3.47Å; Y837-Y905 HydrophobicContact CE1-CE2 3.47Å; Y837-Y905 VanDerWaalsContact CE1-CE2 3.47Å; Y837-Y905 HydrophobicContact CE1-CG 4.3Å; Y837-Y905 HydrophobicContact CG-CD2 4.06Å; Y837-Y905 HydrophobicContact CG-CE2 4.13Å; D838-Y905 VanDerWaalsContact OD1-CE2 3.28Å; D838-Y905 WeakPolarHBondContact OD1-CE2 3.36Å; D838-Y905 PolarHBondContact OD1-OH 3.44Å; R902-Y905 VanDerWaalsContact CZ-OH 3.27Å; R902-Y905 PolarHBondContact NH1-OH 2.94Å; R902-Y905 PolarHBondContact NH2-OH 3.29Å; Y905-K909 HydrophobicContact CD1-CD 3.94Å; Y905-K909 HydrophobicContact CG-CD 4.32Å; Y905-K909 WeakPolarHBondContact O-CB 3.36Å; Y905-H982 PolarHBondContact OH-CE1 2.73Å; Y905-H982 PolarHBondContact OH-NE2 3.28Å
906	G	75.4	Confident	84.2	Confident	6 Å²	6	56.6 Å²	56.6	6%	0.062	27%	0.266	C	S	.	.			trans	88	143.8	-179.3	0	0	0	0	0	113.6	N458 N908 K909	N458-G906 PolarHBondContact OD1-N 2.99Å; N458-G906 VanDerWaalsContact OD1-N 3.08Å; G906-N908 PolarHBondContact O-N 2.92Å; G906-N908 VanDerWaalsContact O-N 3.16Å; G906-K909 PolarHBondContact O-N 2.91Å
907	R	73.8	Confident	84.3	Confident	74 Å²	74	55.7 Å²	55.7	28%	0.279	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-34.5	-173.1	-69	-180	75.1	132.5	-0.3	112.9	V351 K355 R777 V779 D797	V351-R907 VanDerWaalsContact CG2-NH2 3.34Å; K355-R907 VanDerWaalsContact CE-O 3.3Å; K355-R907 WeakPolarHBondContact CE-O 3.26Å; K355-R907 PolarHBondContact NZ-O 2.9Å; R777-R907 VanDerWaalsContact NH1-NH1 3.14Å; V779-R907 HydrophobicContact CG2-CG 4.02Å; D797-R907 IonicContact OD1-NH1 3.94Å; D797-R907 PolarHBondContact OD1-NH1 3.47Å
908	N	73.7	Confident	84.4	Confident	90 Å²	90	50.5 Å²	50.5	48%	0.481	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-11.1	-173.6	-63.5	8.2	0	0	0	114.5	G906	G906-N908 PolarHBondContact O-N 2.92Å; G906-N908 VanDerWaalsContact O-N 3.16Å
909	K	79.1	Confident	84.5	Confident	74 Å²	74	47.5 Å²	47.5	32%	0.322	21%	0.213	S	C	.	.	S	Bend	trans	-62.9	133.8	-174.8	-168.5	179.9	-177.8	179.6	0	111.6	K355 Y905 G906	K355-K909 PolarHBondContact NZ-O 2.95Å; Y905-K909 HydrophobicContact CD1-CD 3.94Å; Y905-K909 HydrophobicContact CG-CD 4.32Å; Y905-K909 WeakPolarHBondContact O-CB 3.36Å; G906-K909 PolarHBondContact O-N 2.91Å
910	P	81.4	Confident	84.7	Confident	8 Å²	8	47.3 Å²	47.3	5%	0.052	21%	0.212	C	C	.	.			trans	-61.9	145.8	176	22.3	-31.5	0	0	0	111.8	E1059 A1060 G1061	P910-E1059 HydrophobicContact CB-CB 4.15Å; P910-E1059 HydrophobicContact CG-CB 3.69Å; P910-E1059 HydrophobicContact CG-CG 4.27Å; P910-E1059 WeakPolarHBondContact CG-OE2 3.42Å; P910-A1060 VanDerWaalsContact CB-O 3.29Å; P910-A1060 WeakPolarHBondContact CB-O 3.32Å; P910-G1061 WeakPolarHBondContact CA-O 3.36Å
911	L	81.5	Confident	84.8	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	23%	0.229	C	C	.	.	S	Bend	trans	-73.4	-33	-177.3	-174.2	53.7	0	0	0	112.7	L352 K355 L356 Y837 L844 A1060 G1061	L352-L911 HydrophobicContact CD1-CD1 3.5Å; L352-L911 HydrophobicContact CD1-CD2 3.71Å; L352-L911 HydrophobicContact CD1-CG 4.24Å; K355-L911 HydrophobicContact CB-CD2 4.5Å; L356-L911 HydrophobicContact CD2-CD2 3.69Å; L356-L911 HydrophobicContact CG-CD2 3.84Å; Y837-L911 HydrophobicContact CE2-CD1 4Å; L844-L911 HydrophobicContact CD1-CD1 4.02Å; L844-L911 HydrophobicContact CD1-CD2 3.65Å; L844-L911 HydrophobicContact CD1-CG 3.7Å; L911-A1060 PolarHBondContact N-O 2.91Å; L911-G1061 PolarHBondContact N-O 3.03Å; L911-G1061 VanDerWaalsContact N-O 3.08Å
912	I	86	Confident	84.9	Confident	9 Å²	9	44.1 Å²	44.1	5%	0.046	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-99.8	103.6	174.8	-54.8	169.9	0	0	0	108.8	L359 L848 M916 M917 I920 A1060	L359-I912 HydrophobicContact CD1-CD1 4.05Å; L359-I912 HydrophobicContact CD2-CD1 4.21Å; L848-I912 HydrophobicContact CD1-CD1 3.59Å; L848-I912 HydrophobicContact CD1-CG1 4.2Å; I912-M916 HydrophobicContact CB-SD 4.35Å; I912-M916 HydrophobicContact CG1-CE 4.19Å; I912-M916 HydrophobicContact CG1-SD 4.42Å; I912-M916 HydrophobicContact CG2-CG 4.32Å; I912-M916 HydrophobicContact CG2-SD 4.17Å; I912-M917 HydrophobicContact CG2-CB 4.29Å; I912-M917 HydrophobicContact CG2-CE 3.89Å; I912-I920 HydrophobicContact CG2-CD1 4.44Å; I912-A1060 HydrophobicContact CB-CB 4.17Å; I912-A1060 HydrophobicContact CD1-CB 4.14Å; I912-A1060 PolarHBondContact N-O 3.23Å; I912-A1060 PolarHBondContact O-N 3.01Å
913	S	85.4	Confident	85.2	Confident	30 Å²	30	41.9 Å²	41.9	21%	0.21	20%	0.197	C	C	.	.			trans	-80.3	161.1	178.3	65.7	0	0	0	0	112.7	T915 M916 M917	S913-T915 VanDerWaalsContact C-N 3.27Å; S913-T915 PolarHBondContact O-N 3.26Å; S913-T915 PolarHBondContact OG-OG1 3.17Å; S913-T915 VanDerWaalsContact OG-OG1 3.11Å; S913-M916 WeakPolarHBondContact O-CB 3.17Å; S913-M916 PolarHBondContact O-N 3.12Å; S913-M916 VanDerWaalsContact O-N 3.08Å; S913-M916 WeakPolarHBondContact OG-CB 3.42Å; S913-M916 PolarHBondContact OG-N 3.13Å; S913-M917 PolarHBondContact O-N 3.23Å
914	R	84.2	Confident	85.6	Confident	118 Å²	118	32.3 Å²	32.3	45%	0.445	16%	0.162	S	C	.	.	H	α-helix	trans	-61.5	-30.8	178.9	-55	-172.9	-152.1	-160.1	0.5	113.9	K918 E1059	R914-K918 WeakPolarHBondContact O-CB 3.5Å; R914-K918 PolarHBondContact O-N 2.9Å; R914-E1059 HydrophobicContact CG-CG 3.56Å; R914-E1059 IonicContact CZ-OE1 2.69Å; R914-E1059 IonicContact NE-OE1 2.94Å; R914-E1059 PolarHBondContact NE-OE1 3.05Å; R914-E1059 IonicContact NH2-OE1 2.83Å; R914-E1059 PolarHBondContact NH2-OE1 3.35Å
915	T	86.6	Confident	86	Confident	39 Å²	39	37.1 Å²	37.1	24%	0.239	18%	0.181	C	C	.	.	H	α-helix	trans	-66.9	-44.4	172.6	39.4	0	0	0	0	111.3	S913 K918 N919 T1051	S913-T915 VanDerWaalsContact C-N 3.27Å; S913-T915 PolarHBondContact O-N 3.26Å; S913-T915 PolarHBondContact OG-OG1 3.17Å; S913-T915 VanDerWaalsContact OG-OG1 3.11Å; T915-K918 WeakPolarHBondContact O-CB 3.38Å; T915-K918 PolarHBondContact O-N 2.82Å; T915-N919 PolarHBondContact O-N 3.09Å; T915-N919 PolarHBondContact O-OD1 3.23Å; T915-T1051 HydrophobicContact CG2-CG2 3.67Å
916	M	89.6	Confident	86.9	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-66	-42.6	177.1	-176.3	-177.2	172.8	0	0	111.9	L844 Q845 L848 I912 S913 N919 I920	L844-M916 HydrophobicContact CB-CE 3.34Å; L844-M916 HydrophobicContact CD1-CE 4.45Å; Q845-M916 HydrophobicContact CB-CE 4.24Å; Q845-M916 HydrophobicContact CB-CG 4.09Å; Q845-M916 HydrophobicContact CG-CG 4.05Å; L848-M916 HydrophobicContact CD1-CE 4.48Å; I912-M916 HydrophobicContact CB-SD 4.35Å; I912-M916 HydrophobicContact CG1-CE 4.19Å; I912-M916 HydrophobicContact CG1-SD 4.42Å; I912-M916 HydrophobicContact CG2-CG 4.32Å; I912-M916 HydrophobicContact CG2-SD 4.17Å; S913-M916 WeakPolarHBondContact O-CB 3.17Å; S913-M916 PolarHBondContact O-N 3.12Å; S913-M916 VanDerWaalsContact O-N 3.08Å; S913-M916 WeakPolarHBondContact OG-CB 3.42Å; S913-M916 PolarHBondContact OG-N 3.13Å; M916-N919 PolarHBondContact O-N 3.36Å; M916-I920 HydrophobicContact CE-CD1 4.39Å; M916-I920 HydrophobicContact CG-CD1 4.02Å; M916-I920 WeakPolarHBondContact O-CG1 3.2Å; M916-I920 PolarHBondContact O-N 2.81Å
917	M	89	Confident	87.9	Confident	39 Å²	39	37.3 Å²	37.3	19%	0.192	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-40.6	174.2	-172	65.9	79.3	0	0	112.1	I912 S913 N919 I920 L921 L1057 A1060	I912-M917 HydrophobicContact CG2-CB 4.29Å; I912-M917 HydrophobicContact CG2-CE 3.89Å; S913-M917 PolarHBondContact O-N 3.23Å; M917-N919 VanDerWaalsContact C-N 3.31Å; M917-N919 PolarHBondContact O-N 3.44Å; M917-I920 PolarHBondContact O-N 3.27Å; M917-L921 HydrophobicContact CG-CD1 3.99Å; M917-L921 HydrophobicContact CG-CG 4.45Å; M917-L921 WeakPolarHBondContact O-CB 3.25Å; M917-L921 WeakPolarHBondContact O-CG 3.36Å; M917-L921 PolarHBondContact O-N 3.49Å; M917-L921 HydrophobicContact SD-CD1 4.05Å; M917-L921 HydrophobicContact SD-CG 4.16Å; M917-L1057 HydrophobicContact CG-CD2 4.09Å; M917-A1060 HydrophobicContact CE-CB 4.36Å
918	K	90.3	Very high	88.9	Confident	19 Å²	19	35.1 Å²	35.1	8%	0.083	17%	0.173	C	C	.	.	H	α-helix	trans	-57.6	-45.3	171.7	-179.4	-166.5	65	157.2	0	110.9	R914 T915 G922 I1046 I1049 T1051 L1054 L1057	R914-K918 WeakPolarHBondContact O-CB 3.5Å; R914-K918 PolarHBondContact O-N 2.9Å; T915-K918 WeakPolarHBondContact O-CB 3.38Å; T915-K918 PolarHBondContact O-N 2.82Å; K918-G922 WeakPolarHBondContact O-CA 3.29Å; K918-G922 PolarHBondContact O-N 3.45Å; K918-I1046 HydrophobicContact CD-CG2 4.21Å; K918-I1046 HydrophobicContact CG-CG2 4.11Å; K918-I1046 PolarHBondContact NZ-O 3.47Å; K918-I1049 PolarHBondContact NZ-O 3.22Å; K918-T1051 HydrophobicContact CD-CG2 4.11Å; K918-L1054 HydrophobicContact CB-CD1 4.36Å; K918-L1054 HydrophobicContact CD-CD1 3.73Å; K918-L1054 HydrophobicContact CG-CD1 3.65Å; K918-L1057 HydrophobicContact CB-CD1 3.86Å
919	N	91.2	Very high	89.9	Confident	7 Å²	7	34.9 Å²	34.9	4%	0.037	17%	0.172	C	C	.	.	H	α-helix	trans	-65.3	-51.3	-179.6	-65.9	-3	0	0	0	110.9	Q845 T915 M916 M917 L921 G922 H923	Q845-N919 HydrophobicContact CG-CB 4.23Å; Q845-N919 PolarHBondContact OE1-ND2 3Å; T915-N919 PolarHBondContact O-N 3.09Å; T915-N919 PolarHBondContact O-OD1 3.23Å; M916-N919 PolarHBondContact O-N 3.36Å; M917-N919 VanDerWaalsContact C-N 3.31Å; M917-N919 PolarHBondContact O-N 3.44Å; N919-L921 PolarHBondContact O-N 3.12Å; N919-G922 PolarHBondContact O-N 3.39Å; N919-H923 WeakPolarHBondContact O-CB 3.08Å; N919-H923 PolarHBondContact O-CD2 3.26Å; N919-H923 PolarHBondContact O-N 3.35Å
920	I	92.4	Very high	90.7	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-53.8	-53.6	178.6	-67.9	161.2	0	0	0	111	Q845 L848 I912 M916 M917 A924	Q845-I920 HydrophobicContact CG-CG1 3.94Å; L848-I920 HydrophobicContact CB-CD1 3.96Å; L848-I920 HydrophobicContact CB-CG1 4.43Å; L848-I920 HydrophobicContact CB-CG2 4.49Å; L848-I920 HydrophobicContact CD1-CD1 4.08Å; I912-I920 HydrophobicContact CG2-CD1 4.44Å; M916-I920 HydrophobicContact CE-CD1 4.39Å; M916-I920 HydrophobicContact CG-CD1 4.02Å; M916-I920 WeakPolarHBondContact O-CG1 3.2Å; M916-I920 PolarHBondContact O-N 2.81Å; M917-I920 PolarHBondContact O-N 3.27Å; I920-A924 WeakPolarHBondContact O-CB 3.31Å; I920-A924 PolarHBondContact O-N 3.04Å
921	L	92.4	Very high	91.2	Very high	78 Å²	78	32 Å²	32	41%	0.408	16%	0.16	S	C	.	.	H	α-helix	trans	-71.4	-33.4	-177.8	-63.3	177	0	0	0	112.9	M917 N919 F925 L1057	M917-L921 HydrophobicContact CG-CD1 3.99Å; M917-L921 HydrophobicContact CG-CG 4.45Å; M917-L921 WeakPolarHBondContact O-CB 3.25Å; M917-L921 WeakPolarHBondContact O-CG 3.36Å; M917-L921 PolarHBondContact O-N 3.49Å; M917-L921 HydrophobicContact SD-CD1 4.05Å; M917-L921 HydrophobicContact SD-CG 4.16Å; N919-L921 PolarHBondContact O-N 3.12Å; L921-F925 WeakPolarHBondContact O-CB 3.3Å; L921-F925 PolarHBondContact O-N 2.87Å; L921-L1057 HydrophobicContact CD1-CD2 3.82Å
922	G	92.8	Very high	91.8	Very high	18 Å²	18	34.2 Å²	34.2	19%	0.186	17%	0.169	C	C	.	.	H	α-helix	trans	-69.4	-40.9	178.8	0	0	0	0	0	113	K918 N919 W1042	K918-G922 WeakPolarHBondContact O-CA 3.29Å; K918-G922 PolarHBondContact O-N 3.45Å; N919-G922 PolarHBondContact O-N 3.39Å; G922-W1042 PolarHBondContact O-NE1 3.39Å
923	H	94.9	Very high	92.1	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.023	19%	0.191	C	C	.	.	H	α-helix	trans	-69.7	-50.2	171.9	-74.7	-66	0	0	0	110	T849 N919 F925 Y926 Q927 N977 E1039 G1043	T849-H923 HydrophobicContact CG2-CB 3.76Å; N919-H923 WeakPolarHBondContact O-CB 3.08Å; N919-H923 PolarHBondContact O-CD2 3.26Å; N919-H923 PolarHBondContact O-N 3.35Å; H923-F925 PolarHBondContact O-N 2.97Å; H923-F925 VanDerWaalsContact O-N 3.15Å; H923-Y926 WeakPolarHBondContact O-CB 3.39Å; H923-Y926 PolarHBondContact O-N 2.82Å; H923-Q927 WeakPolarHBondContact O-CG 3.33Å; H923-Q927 PolarHBondContact O-N 3.2Å; H923-N977 PolarHBondContact CE1-ND2 2.8Å; H923-N977 VanDerWaalsContact CE1-ND2 3.34Å; H923-E1039 IonicContact CE1-OE1 3.53Å; H923-E1039 IonicContact CG-OE1 3.28Å; H923-E1039 IonicContact ND1-OE1 3.33Å; H923-E1039 PolarHBondContact ND1-OE1 3.43Å; H923-G1043 VanDerWaalsContact CE1-CA 3.46Å; H923-G1043 WeakPolarHBondContact CE1-CA 3.45Å
924	A	95.3	Very high	92.4	Very high	3 Å²	3	37.4 Å²	37.4	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-55.6	-37.5	179.2	0	0	0	0	0	113.4	T849 V852 V853 I920 Q927 L928	T849-A924 HydrophobicContact CG2-CB 4.47Å; V852-A924 HydrophobicContact CG1-CB 4.06Å; V853-A924 VanDerWaalsContact CG2-CA 3.45Å; V853-A924 HydrophobicContact CG2-CB 3.53Å; I920-A924 WeakPolarHBondContact O-CB 3.31Å; I920-A924 PolarHBondContact O-N 3.04Å; A924-Q927 PolarHBondContact O-N 3.45Å; A924-L928 WeakPolarHBondContact O-CB 3.38Å; A924-L928 WeakPolarHBondContact O-CD1 3.37Å; A924-L928 WeakPolarHBondContact O-CG 3.45Å; A924-L928 PolarHBondContact O-N 3.45Å
925	F	95.2	Very high	92.6	Very high	125 Å²	125	31.9 Å²	31.9	55%	0.548	16%	0.163	S	C	.	.	H	α-helix	trans	-60.9	-45.2	173.9	176.6	-97.2	0	0	0	113.1	L921 H923 L929 W1042	L921-F925 WeakPolarHBondContact O-CB 3.3Å; L921-F925 PolarHBondContact O-N 2.87Å; H923-F925 PolarHBondContact O-N 2.97Å; H923-F925 VanDerWaalsContact O-N 3.15Å; F925-L929 HydrophobicContact CE1-CD2 4.39Å; F925-L929 VanDerWaalsContact O-CB 3.31Å; F925-L929 WeakPolarHBondContact O-CB 3.48Å; F925-L929 PolarHBondContact O-N 3.11Å; F925-W1042 HydrophobicContact CD1-CZ2 4.34Å
926	Y	95.4	Very high	92.7	Very high	39 Å²	39	33 Å²	33	15%	0.153	16%	0.164	C	C	.	.	H	α-helix	trans	-65	-45.3	176.9	175.9	-99.2	0	0	0	111.5	H923 L928 L929 V930 M970 I1035 E1039 W1042	H923-Y926 WeakPolarHBondContact O-CB 3.39Å; H923-Y926 PolarHBondContact O-N 2.82Å; Y926-L928 PolarHBondContact O-N 3.23Å; Y926-L929 PolarHBondContact O-N 3.44Å; Y926-V930 HydrophobicContact CD1-CG2 4.4Å; Y926-V930 HydrophobicContact CD2-CG2 4.39Å; Y926-V930 HydrophobicContact CE1-CG2 4.03Å; Y926-V930 HydrophobicContact CE2-CG2 4.02Å; Y926-V930 WeakPolarHBondContact O-CB 3.37Å; Y926-V930 WeakPolarHBondContact O-CG2 3.33Å; Y926-V930 PolarHBondContact O-N 2.69Å; Y926-M970 HydrophobicContact CD1-CE 3.86Å; Y926-M970 HydrophobicContact CE1-CE 3.73Å; Y926-I1035 PolarHBondContact OH-O 3.4Å; Y926-E1039 HydrophobicContact CE1-CB 4.34Å; Y926-W1042 VanDerWaalsContact CB-CD1 3.4Å; Y926-W1042 HydrophobicContact CD2-CB 4.22Å; Y926-W1042 AromaticContact CD2-CD2 3.94Å; Y926-W1042 HydrophobicContact CD2-CD2 3.94Å; Y926-W1042 HydrophobicContact CD2-CE3 4.34Å; Y926-W1042 AromaticContact CD2-CG 3.86Å; Y926-W1042 HydrophobicContact CD2-CG 3.86Å; Y926-W1042 HydrophobicContact CE2-CB 4.49Å; Y926-W1042 HydrophobicContact CG-CB 4.28Å; Y926-W1042 AromaticContact CG-CD1 3.81Å; Y926-W1042 HydrophobicContact CG-CD2 4.34Å; Y926-W1042 AromaticContact CG-CG 3.9Å; Y926-W1042 HydrophobicContact CG-CG 3.9Å
927	Q	95.4	Very high	92.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-43.6	179.2	-59.8	-164.8	-17.9	0	0	112.2	V853 H923 A924 I931 M970 E1039	V853-Q927 HydrophobicContact CB-CB 4.48Å; V853-Q927 HydrophobicContact CG1-CB 3.84Å; V853-Q927 HydrophobicContact CG2-CB 3.89Å; H923-Q927 WeakPolarHBondContact O-CG 3.33Å; H923-Q927 PolarHBondContact O-N 3.2Å; A924-Q927 PolarHBondContact O-N 3.45Å; Q927-I931 VanDerWaalsContact O-CB 3.31Å; Q927-I931 WeakPolarHBondContact O-CB 3.35Å; Q927-I931 WeakPolarHBondContact O-CG1 3.36Å; Q927-I931 PolarHBondContact O-N 2.93Å; Q927-M970 HydrophobicContact CB-CE 3.97Å; Q927-M970 HydrophobicContact CG-CE 3.69Å; Q927-E1039 WeakPolarHBondContact CG-OE2 3.49Å; Q927-E1039 PolarHBondContact NE2-OE2 3.29Å
928	L	95.3	Very high	92.5	Very high	27 Å²	27	33.1 Å²	33.1	14%	0.141	17%	0.172	C	C	.	.	H	α-helix	trans	-64.6	-42.9	175.3	-71.3	169.3	0	0	0	112.3	V853 I856 V857 A924 Y926 F932	V853-L928 HydrophobicContact CG1-CD2 4.06Å; V853-L928 HydrophobicContact CG1-CG 4.27Å; V853-L928 HydrophobicContact CG2-CG 4.41Å; I856-L928 HydrophobicContact CB-CD1 4.39Å; I856-L928 HydrophobicContact CB-CD2 3.88Å; I856-L928 HydrophobicContact CD1-CD1 4Å; I856-L928 HydrophobicContact CG2-CD1 4Å; I856-L928 HydrophobicContact CG2-CD2 3.55Å; I856-L928 HydrophobicContact CG2-CG 4.45Å; V857-L928 HydrophobicContact CG2-CD2 3.77Å; A924-L928 WeakPolarHBondContact O-CB 3.38Å; A924-L928 WeakPolarHBondContact O-CD1 3.37Å; A924-L928 WeakPolarHBondContact O-CG 3.45Å; A924-L928 PolarHBondContact O-N 3.45Å; Y926-L928 PolarHBondContact O-N 3.23Å; L928-F932 HydrophobicContact CB-CD2 4.29Å; L928-F932 HydrophobicContact CB-CE2 4.08Å; L928-F932 HydrophobicContact CD2-CE2 3.88Å; L928-F932 HydrophobicContact CD2-CZ 3.95Å; L928-F932 WeakPolarHBondContact O-CB 3.45Å; L928-F932 WeakPolarHBondContact O-CD2 3.32Å; L928-F932 VanDerWaalsContact O-CG 3.3Å; L928-F932 WeakPolarHBondContact O-CG 3.41Å; L928-F932 PolarHBondContact O-N 2.98Å
929	L	94.9	Very high	92.2	Very high	86 Å²	86	33.6 Å²	33.6	45%	0.45	18%	0.175	S	C	.	.	H	α-helix	trans	-59.7	-49.1	177.1	179.1	62	0	0	0	111.4	F925 Y926 I933	F925-L929 HydrophobicContact CE1-CD2 4.39Å; F925-L929 VanDerWaalsContact O-CB 3.31Å; F925-L929 WeakPolarHBondContact O-CB 3.48Å; F925-L929 PolarHBondContact O-N 3.11Å; Y926-L929 PolarHBondContact O-N 3.44Å; L929-I933 HydrophobicContact CD1-CD1 3.86Å; L929-I933 HydrophobicContact CD1-CG1 4.46Å; L929-I933 HydrophobicContact CG-CD1 3.99Å; L929-I933 WeakPolarHBondContact O-CB 3.44Å; L929-I933 WeakPolarHBondContact O-CD1 3.42Å; L929-I933 WeakPolarHBondContact O-CG1 3.22Å; L929-I933 PolarHBondContact O-N 3.12Å
930	V	94.9	Very high	92	Very high	18 Å²	18	41.3 Å²	41.3	11%	0.109	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-50.8	178	168.3	0	0	0	0	111.4	Y926 F932 I933 L934 T966 M970 I1035	Y926-V930 HydrophobicContact CD1-CG2 4.4Å; Y926-V930 HydrophobicContact CD2-CG2 4.39Å; Y926-V930 HydrophobicContact CE1-CG2 4.03Å; Y926-V930 HydrophobicContact CE2-CG2 4.02Å; Y926-V930 WeakPolarHBondContact O-CB 3.37Å; Y926-V930 WeakPolarHBondContact O-CG2 3.33Å; Y926-V930 PolarHBondContact O-N 2.69Å; V930-F932 PolarHBondContact O-N 3.24Å; V930-I933 PolarHBondContact O-N 3.05Å; V930-L934 HydrophobicContact CG1-CD1 3.94Å; V930-L934 HydrophobicContact CG1-CG 4.49Å; V930-L934 WeakPolarHBondContact O-CG 3.37Å; V930-L934 PolarHBondContact O-N 2.99Å; V930-T966 HydrophobicContact CG1-CG2 4.3Å; V930-M970 HydrophobicContact CB-CE 3.99Å; V930-M970 HydrophobicContact CB-SD 4.33Å; V930-M970 HydrophobicContact CG1-CE 4.02Å; V930-M970 HydrophobicContact CG1-SD 3.7Å; V930-M970 HydrophobicContact CG2-CE 4.26Å; V930-I1035 HydrophobicContact CG1-CG2 3.48Å; V930-I1035 VanDerWaalsContact CG1-CG2 3.48Å; V930-I1035 HydrophobicContact CG2-CG2 4.34Å
931	I	93.1	Very high	91.7	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-65.8	-38.3	-176.3	-66.7	-66.5	0	0	0	111.4	V857 Q927 L934 V935 V963 F967	V857-I931 HydrophobicContact CG1-CG2 3.9Å; V857-I931 HydrophobicContact CG2-CB 4.3Å; V857-I931 HydrophobicContact CG2-CG2 3.71Å; Q927-I931 VanDerWaalsContact O-CB 3.31Å; Q927-I931 WeakPolarHBondContact O-CB 3.35Å; Q927-I931 WeakPolarHBondContact O-CG1 3.36Å; Q927-I931 PolarHBondContact O-N 2.93Å; I931-L934 PolarHBondContact O-N 2.84Å; I931-V935 HydrophobicContact CG2-CG2 4.17Å; I931-V935 WeakPolarHBondContact O-CB 3.49Å; I931-V935 VanDerWaalsContact O-CG2 3.25Å; I931-V935 WeakPolarHBondContact O-CG2 3.24Å; I931-V935 PolarHBondContact O-N 3.03Å; I931-V963 HydrophobicContact CD1-CG1 4.2Å; I931-V963 HydrophobicContact CG2-CG1 4.14Å; I931-F967 HydrophobicContact CD1-CB 3.82Å; I931-F967 HydrophobicContact CD1-CD2 4.2Å; I931-F967 HydrophobicContact CD1-CG 4.45Å; I931-F967 HydrophobicContact CG1-CD2 4.24Å
932	F	92.8	Very high	91.4	Very high	49 Å²	49	45.5 Å²	45.5	22%	0.215	22%	0.223	C	C	.	.	H	α-helix	trans	-70.8	-34.4	174.7	-65.9	-39.4	0	0	0	113.1	I856 T860 L928 V930 V935 F936	I856-F932 HydrophobicContact CG2-CZ 4.17Å; T860-F932 HydrophobicContact CG2-CD1 4.46Å; T860-F932 HydrophobicContact CG2-CE1 3.61Å; T860-F932 HydrophobicContact CG2-CE2 4.48Å; T860-F932 HydrophobicContact CG2-CZ 3.62Å; L928-F932 HydrophobicContact CB-CD2 4.29Å; L928-F932 HydrophobicContact CB-CE2 4.08Å; L928-F932 HydrophobicContact CD2-CE2 3.88Å; L928-F932 HydrophobicContact CD2-CZ 3.95Å; L928-F932 WeakPolarHBondContact O-CB 3.45Å; L928-F932 WeakPolarHBondContact O-CD2 3.32Å; L928-F932 VanDerWaalsContact O-CG 3.3Å; L928-F932 WeakPolarHBondContact O-CG 3.41Å; L928-F932 PolarHBondContact O-N 2.98Å; V930-F932 PolarHBondContact O-N 3.24Å; F932-V935 PolarHBondContact O-N 3.23Å; F932-F936 HydrophobicContact CB-CD2 4.12Å; F932-F936 HydrophobicContact CB-CE2 4.23Å; F932-F936 AromaticContact CD1-CE2 3.96Å; F932-F936 HydrophobicContact CD1-CE2 3.96Å; F932-F936 HydrophobicContact CG-CE2 4.34Å; F932-F936 WeakPolarHBondContact O-CB 3.27Å; F932-F936 VanDerWaalsContact O-CD2 3.22Å; F932-F936 WeakPolarHBondContact O-CD2 3.49Å; F932-F936 PolarHBondContact O-N 2.95Å
933	I	92.7	Very high	90.9	Very high	96 Å²	96	52 Å²	52	49%	0.492	25%	0.253	S	S	.	.	H	α-helix	trans	-61.2	-46.1	170.8	-72.8	166.4	0	0	0	110.2	L929 V930 A937 G938	L929-I933 HydrophobicContact CD1-CD1 3.86Å; L929-I933 HydrophobicContact CD1-CG1 4.46Å; L929-I933 HydrophobicContact CG-CD1 3.99Å; L929-I933 WeakPolarHBondContact O-CB 3.44Å; L929-I933 WeakPolarHBondContact O-CD1 3.42Å; L929-I933 WeakPolarHBondContact O-CG1 3.22Å; L929-I933 PolarHBondContact O-N 3.12Å; V930-I933 PolarHBondContact O-N 3.05Å; I933-A937 WeakPolarHBondContact O-CA 3.26Å; I933-A937 WeakPolarHBondContact O-CB 3.46Å; I933-A937 PolarHBondContact O-N 2.99Å; I933-G938 PolarHBondContact O-N 3.16Å
934	L	91.3	Very high	90.5	Very high	10 Å²	10	53.2 Å²	53.2	5%	0.052	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-46.6	177.4	-67.6	172.9	0	0	0	111.9	V930 I931 F936 G938 F942 H959 I962 V963 T966	V930-L934 HydrophobicContact CG1-CD1 3.94Å; V930-L934 HydrophobicContact CG1-CG 4.49Å; V930-L934 WeakPolarHBondContact O-CG 3.37Å; V930-L934 PolarHBondContact O-N 2.99Å; I931-L934 PolarHBondContact O-N 2.84Å; L934-F936 PolarHBondContact O-N 3.48Å; L934-G938 WeakPolarHBondContact O-CA 3.42Å; L934-G938 PolarHBondContact O-N 3.25Å; L934-F942 HydrophobicContact CD2-CE2 3.8Å; L934-H959 PolarHBondContact O-NE2 3.28Å; L934-H959 VanDerWaalsContact O-NE2 3.13Å; L934-I962 HydrophobicContact CD2-CG2 4.36Å; L934-V963 HydrophobicContact CB-CG2 3.94Å; L934-T966 HydrophobicContact CD1-CG2 3.74Å
935	V	88.8	Confident	89.9	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-65.1	-36.8	-179.4	168.1	0	0	0	0	112.7	P869 I931 F932 R948 H959 V963	P869-V935 HydrophobicContact CB-CG2 3.88Å; P869-V935 HydrophobicContact CG-CG2 4.23Å; I931-V935 HydrophobicContact CG2-CG2 4.17Å; I931-V935 WeakPolarHBondContact O-CB 3.49Å; I931-V935 VanDerWaalsContact O-CG2 3.25Å; I931-V935 WeakPolarHBondContact O-CG2 3.24Å; I931-V935 PolarHBondContact O-N 3.03Å; F932-V935 PolarHBondContact O-N 3.23Å; V935-R948 VanDerWaalsContact O-CD 3.24Å; V935-R948 WeakPolarHBondContact O-CD 3.23Å; V935-H959 PolarHBondContact O-CE1 3.42Å; V935-V963 HydrophobicContact CG2-CG1 3.85Å; V935-V963 HydrophobicContact CG2-CG2 3.82Å
936	F	88.3	Confident	89.2	Confident	62 Å²	62	56.8 Å²	56.8	27%	0.272	29%	0.288	S	S	.	.	H	α-helix	trans	-101	-18.3	-174.6	-64	-57.1	0	0	0	115.5	I864 T865 F932 L934 R948	I864-F936 HydrophobicContact CB-CE1 4.37Å; I864-F936 HydrophobicContact CB-CZ 4.25Å; I864-F936 HydrophobicContact CD1-CZ 3.86Å; I864-F936 HydrophobicContact CG2-CE1 3.63Å; I864-F936 HydrophobicContact CG2-CZ 3.9Å; T865-F936 HydrophobicContact CG2-CE1 4.43Å; F932-F936 HydrophobicContact CB-CD2 4.12Å; F932-F936 HydrophobicContact CB-CE2 4.23Å; F932-F936 AromaticContact CD1-CE2 3.96Å; F932-F936 HydrophobicContact CD1-CE2 3.96Å; F932-F936 HydrophobicContact CG-CE2 4.34Å; F932-F936 WeakPolarHBondContact O-CB 3.27Å; F932-F936 VanDerWaalsContact O-CD2 3.22Å; F932-F936 WeakPolarHBondContact O-CD2 3.49Å; F932-F936 PolarHBondContact O-N 2.95Å; L934-F936 PolarHBondContact O-N 3.48Å; F936-R948 PolarHBondContact O-NH2 2.82Å
937	A	88.8	Confident	88.3	Confident	41 Å²	41	55.1 Å²	55.1	34%	0.339	28%	0.283	S	S	.	.	H	α-helix	trans	-134.4	-4.3	-178.1	0	0	0	0	0	114.6	I933 E939 K940 F941	I933-A937 WeakPolarHBondContact O-CA 3.26Å; I933-A937 WeakPolarHBondContact O-CB 3.46Å; I933-A937 PolarHBondContact O-N 2.99Å; A937-E939 VanDerWaalsContact C-N 3.3Å; A937-E939 PolarHBondContact O-N 3.46Å; A937-K940 PolarHBondContact O-N 3.14Å; A937-F941 PolarHBondContact O-N 2.69Å; A937-F941 VanDerWaalsContact O-N 3.1Å
938	G	86	Confident	87.4	Confident	3 Å²	3	58.3 Å²	58.3	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-57.6	-40.2	-179.6	0	0	0	0	0	113.2	I933 L934 K940 F941 F942	I933-G938 PolarHBondContact O-N 3.16Å; L934-G938 WeakPolarHBondContact O-CA 3.42Å; L934-G938 PolarHBondContact O-N 3.25Å; G938-K940 PolarHBondContact O-N 3.44Å; G938-F941 PolarHBondContact O-N 2.71Å; G938-F942 WeakPolarHBondContact O-CD2 3.44Å; G938-F942 PolarHBondContact O-N 3.03Å
939	E	85	Confident	86.1	Confident	29 Å²	29	66.6 Å²	66.6	14%	0.136	33%	0.33	C	S	.	.	H	α-helix	trans	-47.4	-41	171.5	70.8	-167.1	-149	0	0	112.7	A937 D943 I944 S946 R948 H959	A937-E939 VanDerWaalsContact C-N 3.3Å; A937-E939 PolarHBondContact O-N 3.46Å; E939-D943 WeakPolarHBondContact O-CA 3.42Å; E939-D943 PolarHBondContact O-N 2.83Å; E939-I944 WeakPolarHBondContact CA-O 3.46Å; E939-I944 WeakPolarHBondContact CB-O 3.48Å; E939-I944 PolarHBondContact O-N 3.35Å; E939-S946 VanDerWaalsContact OE2-CB 3.23Å; E939-S946 WeakPolarHBondContact OE2-CB 3.23Å; E939-S946 PolarHBondContact OE2-OG 3.45Å; E939-R948 IonicContact OE1-CZ 3.47Å; E939-R948 IonicContact OE1-NH2 2.77Å; E939-R948 PolarHBondContact OE1-NH2 3.37Å; E939-R948 IonicContact OE2-CZ 3.8Å; E939-R948 VanDerWaalsContact OE2-CZ 3.28Å; E939-R948 IonicContact OE2-NE 3.95Å; E939-R948 PolarHBondContact OE2-NE 3.38Å; E939-R948 IonicContact OE2-NH2 2.67Å; E939-R948 PolarHBondContact OE2-NH2 2.91Å; E939-H959 PolarHBondContact N-CD2 3.12Å; E939-H959 PolarHBondContact N-NE2 2.96Å; E939-H959 VanDerWaalsContact N-NE2 3.12Å
940	K	86.5	Confident	84.8	Confident	170 Å²	170	64.2 Å²	64.2	74%	0.739	32%	0.323	S	S	*	.	H	α-helix	trans	-89	-19.7	-179.5	-56.1	-169.8	180	-178.9	0	113.8	A937 G938	A937-K940 PolarHBondContact O-N 3.14Å; G938-K940 PolarHBondContact O-N 3.44Å
941	F	86.3	Confident	83.3	Confident	137 Å²	137	66.4 Å²	66.4	60%	0.601	34%	0.337	S	S	*	.	H	α-helix	trans	-86	-31.2	-178.9	-167.3	-90.6	0	0	0	112	A937 G938	A937-F941 PolarHBondContact O-N 2.69Å; A937-F941 VanDerWaalsContact O-N 3.1Å; G938-F941 PolarHBondContact O-N 2.71Å
942	F	85.2	Confident	81.6	Confident	33 Å²	33	68 Å²	68	15%	0.145	35%	0.346	C	S	.	.	H	α-helix	trans	-106.1	-4.1	179.3	-67.1	-73.5	0	0	0	114.3	L934 G938 I944 I962 Q1028 W1031	L934-F942 HydrophobicContact CD2-CE2 3.8Å; G938-F942 WeakPolarHBondContact O-CD2 3.44Å; G938-F942 PolarHBondContact O-N 3.03Å; F942-I944 HydrophobicContact CB-CD1 3.87Å; F942-I944 HydrophobicContact CB-CG1 4.05Å; F942-I944 HydrophobicContact CB-CG2 4.27Å; F942-I962 HydrophobicContact CD2-CD1 4.23Å; F942-I962 HydrophobicContact CE2-CG2 4.05Å; F942-I962 HydrophobicContact CG-CD1 4.24Å; F942-I962 HydrophobicContact CZ-CG2 4.5Å; F942-Q1028 HydrophobicContact CD1-CG 4.28Å; F942-W1031 HydrophobicContact CE1-CB 3.77Å; F942-W1031 AromaticContact CE1-CD1 3.82Å; F942-W1031 AromaticContact CE1-CG 3.78Å; F942-W1031 HydrophobicContact CE1-CG 3.78Å; F942-W1031 HydrophobicContact CZ-CB 3.99Å; F942-W1031 HydrophobicContact CZ-CG 4.3Å
943	D	83.5	Confident	80	Confident	155 Å²	155	69.4 Å²	69.4	83%	0.829	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	58.7	-176.2	-153.6	31.6	0	0	0	112.1	E939	E939-D943 WeakPolarHBondContact O-CA 3.42Å; E939-D943 PolarHBondContact O-N 2.83Å
944	I	85.6	Confident	78.6	Confident	30 Å²	30	66.8 Å²	66.8	15%	0.154	34%	0.343	C	S	.	.			trans	-138.5	153.8	-173.6	61.4	-179.2	0	0	0	112.4	E939 F942 H959 I962	E939-I944 WeakPolarHBondContact CA-O 3.46Å; E939-I944 WeakPolarHBondContact CB-O 3.48Å; E939-I944 PolarHBondContact O-N 3.35Å; F942-I944 HydrophobicContact CB-CD1 3.87Å; F942-I944 HydrophobicContact CB-CG1 4.05Å; F942-I944 HydrophobicContact CB-CG2 4.27Å; I944-H959 HydrophobicContact CD1-CB 4.07Å; I944-I962 HydrophobicContact CD1-CD1 3.6Å
945	D	82.3	Confident	77.5	Confident	151 Å²	151	69.6 Å²	69.6	81%	0.807	36%	0.361	S	S	*	.			trans	-60.8	142.1	-177.9	-69	-58.4	0	0	0	114.4	G947 H959	D945-G947 PolarHBondContact O-N 3.12Å; D945-H959 WeakPolarHBondContact O-CB 3.2Å
946	S	81.2	Confident	77	Confident	53 Å²	53	71.2 Å²	71.2	37%	0.371	37%	0.372	S	S	.	.			trans	-80.2	107.3	-174.2	-169.8	0	0	0	0	112.5	E939 R948	E939-S946 VanDerWaalsContact OE2-CB 3.23Å; E939-S946 WeakPolarHBondContact OE2-CB 3.23Å; E939-S946 PolarHBondContact OE2-OG 3.45Å; S946-R948 PolarHBondContact O-N 3.37Å
947	G	75.9	Confident	76.8	Confident	3 Å²	3	69.8 Å²	69.8	3%	0.031	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-65.3	-2.6	171.4	0	0	0	0	0	115.5	D945 K949 Y960	D945-G947 PolarHBondContact O-N 3.12Å; G947-K949 VanDerWaalsContact C-N 3.35Å; G947-K949 PolarHBondContact O-N 3.07Å; G947-Y960 WeakPolarHBondContact O-CE2 3.4Å; G947-Y960 PolarHBondContact O-OH 3.45Å
948	R	77.1	Confident	76.6	Confident	68 Å²	68	70.9 Å²	70.9	26%	0.257	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-73.2	-16.2	-169.8	-71.2	-167.2	-76.8	163.1	-3.8	116.2	T865 V935 F936 E939 S946 Y960	T865-R948 HydrophobicContact CG2-CB 4.09Å; T865-R948 HydrophobicContact CG2-CG 4.03Å; V935-R948 VanDerWaalsContact O-CD 3.24Å; V935-R948 WeakPolarHBondContact O-CD 3.23Å; F936-R948 PolarHBondContact O-NH2 2.82Å; E939-R948 IonicContact OE1-CZ 3.47Å; E939-R948 IonicContact OE1-NH2 2.77Å; E939-R948 PolarHBondContact OE1-NH2 3.37Å; E939-R948 IonicContact OE2-CZ 3.8Å; E939-R948 VanDerWaalsContact OE2-CZ 3.28Å; E939-R948 IonicContact OE2-NE 3.95Å; E939-R948 PolarHBondContact OE2-NE 3.38Å; E939-R948 IonicContact OE2-NH2 2.67Å; E939-R948 PolarHBondContact OE2-NH2 2.91Å; S946-R948 PolarHBondContact O-N 3.37Å; R948-Y960 WeakPolarHBondContact CA-OH 3.32Å
949	K	67.4	Low	76.8	Confident	200 Å²	200	70.9 Å²	70.9	87%	0.87	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-127.1	23.8	-178.8	-64.4	-170.9	175.8	-172.3	0	112.7	G947	G947-K949 VanDerWaalsContact C-N 3.35Å; G947-K949 PolarHBondContact O-N 3.07Å
950	A	68.1	Low	77	Confident	37 Å²	37	70.6 Å²	70.6	31%	0.306	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-66.7	130.5	-175.1	0	0	0	0	0	110.9	S954	A950-S954 VanDerWaalsContact CB-OG 3.32Å; A950-S954 WeakPolarHBondContact CB-OG 3.14Å
951	P	64	Low	77.2	Confident	64 Å²	64	62.5 Å²	62.5	42%	0.416	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-69.1	172.2	-177.2	27.9	-35.3	0	0	0	112.6	H953 S954	P951-H953 PolarHBondContact O-N 2.95Å; P951-S954 VanDerWaalsContact O-CB 3.25Å; P951-S954 WeakPolarHBondContact O-CB 3.22Å; P951-S954 PolarHBondContact O-N 2.93Å; P951-S954 VanDerWaalsContact O-N 3.17Å; P951-S954 PolarHBondContact O-OG 3.02Å; P951-S954 VanDerWaalsContact O-OG 3.11Å
952	L	56.9	Low	77.5	Confident	36 Å²	36	56.1 Å²	56.1	19%	0.188	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	133.5	173.5	-167.2	65.1	0	0	0	110.3	Q404 Y405 K408 S954	Q404-L952 HydrophobicContact CB-CD2 4.45Å; Q404-L952 HydrophobicContact CG-CD2 4.01Å; Y405-L952 HydrophobicContact CE1-CB 4.48Å; Y405-L952 HydrophobicContact CE2-CD2 4.26Å; K408-L952 HydrophobicContact CD-CD1 3.69Å; L952-S954 VanDerWaalsContact C-N 3.29Å; L952-S954 PolarHBondContact O-N 3.19Å
953	H	58.7	Low	77.8	Confident	78 Å²	78	54.6 Å²	54.6	36%	0.361	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	8.1	-173.5	-52.4	-59.9	0	0	0	117.5	Q404 P951	Q404-H953 PolarHBondContact NE2-NE2 2.59Å; P951-H953 PolarHBondContact O-N 2.95Å
954	S	64.7	Low	78.3	Confident	41 Å²	41	47.2 Å²	47.2	29%	0.287	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-52.9	148	174.7	63.7	0	0	0	0	114	A950 P951 L952	A950-S954 VanDerWaalsContact CB-OG 3.32Å; A950-S954 WeakPolarHBondContact CB-OG 3.14Å; P951-S954 VanDerWaalsContact O-CB 3.25Å; P951-S954 WeakPolarHBondContact O-CB 3.22Å; P951-S954 PolarHBondContact O-N 2.93Å; P951-S954 VanDerWaalsContact O-N 3.17Å; P951-S954 PolarHBondContact O-OG 3.02Å; P951-S954 VanDerWaalsContact O-OG 3.11Å; L952-S954 VanDerWaalsContact C-N 3.29Å; L952-S954 PolarHBondContact O-N 3.19Å
955	P	67.6	Low	78.7	Confident	68 Å²	68	45.8 Å²	45.8	44%	0.442	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-59.9	153.8	174.8	24.9	-34.7	0	0	0	112.9
956	P	77.4	Confident	79.3	Confident	36 Å²	36	38.6 Å²	38.6	23%	0.234	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-62.4	142.7	177.3	27.1	-34.5	0	0	0	111.1	S1020 T1022	P956-S1020 VanDerWaalsContact CB-C 3.4Å; P956-S1020 WeakPolarHBondContact CB-O 3.4Å; P956-T1022 HydrophobicContact CB-CG2 4.11Å; P956-T1022 HydrophobicContact CG-CG2 3.91Å; P956-T1022 WeakPolarHBondContact O-CG2 3.46Å
957	T	83.9	Confident	79.9	Confident	32 Å²	32	36 Å²	36	20%	0.196	19%	0.191	C	C	.	.			trans	-108.3	144.7	-174	63.4	0	0	0	0	112.5	H959 Y960 T961	T957-H959 PolarHBondContact O-N 2.95Å; T957-Y960 PolarHBondContact O-N 3.15Å; T957-Y960 PolarHBondContact OG1-N 2.8Å; T957-T961 PolarHBondContact O-N 3.05Å; T957-T961 PolarHBondContact O-OG1 3.47Å
958	Q	86.3	Confident	80.8	Confident	65 Å²	65	36 Å²	36	30%	0.304	19%	0.19	S	C	.	.	H	α-helix	trans	-62.7	-34.8	177.4	-153.1	174.1	57.2	0	0	111.5	T961 I962 T1022 S1023 L1024 Q1028	Q958-T961 PolarHBondContact O-N 3Å; Q958-I962 WeakPolarHBondContact O-CG1 3.31Å; Q958-I962 PolarHBondContact O-N 2.87Å; Q958-T1022 VanDerWaalsContact CA-OG1 3.27Å; Q958-T1022 WeakPolarHBondContact CA-OG1 3.14Å; Q958-T1022 PolarHBondContact N-OG1 2.85Å; Q958-S1023 PolarHBondContact NE2-O 3.46Å; Q958-L1024 HydrophobicContact CG-CD2 3.57Å; Q958-Q1028 VanDerWaalsContact CD-NE2 3.34Å
959	H	89.2	Confident	81.6	Confident	3 Å²	3	32.8 Å²	32.8	1%	0.014	18%	0.178	C	C	.	.	H	α-helix	trans	-55.9	-54.6	175	-174.3	-117.8	0	0	0	113.1	L934 V935 E939 I944 D945 T957 T961 I962 V963	L934-H959 PolarHBondContact O-NE2 3.28Å; L934-H959 VanDerWaalsContact O-NE2 3.13Å; V935-H959 PolarHBondContact O-CE1 3.42Å; E939-H959 PolarHBondContact N-CD2 3.12Å; E939-H959 PolarHBondContact N-NE2 2.96Å; E939-H959 VanDerWaalsContact N-NE2 3.12Å; I944-H959 HydrophobicContact CD1-CB 4.07Å; D945-H959 WeakPolarHBondContact O-CB 3.2Å; T957-H959 PolarHBondContact O-N 2.95Å; H959-T961 VanDerWaalsContact C-N 3.34Å; H959-I962 PolarHBondContact O-N 3.33Å; H959-V963 PolarHBondContact O-N 2.82Å
960	Y	88.3	Confident	83	Confident	22 Å²	22	23.3 Å²	23.3	9%	0.086	14%	0.137	C	C	.	.	H	α-helix	trans	-73.4	-25.3	176.9	-69.9	-27.8	0	0	0	113.1	P869 G947 R948 T957 I962 V963 F964	P869-Y960 HydrophobicContact CB-CD1 4.13Å; P869-Y960 HydrophobicContact CB-CE1 3.88Å; G947-Y960 WeakPolarHBondContact O-CE2 3.4Å; G947-Y960 PolarHBondContact O-OH 3.45Å; R948-Y960 WeakPolarHBondContact CA-OH 3.32Å; T957-Y960 PolarHBondContact O-N 3.15Å; T957-Y960 PolarHBondContact OG1-N 2.8Å; Y960-I962 VanDerWaalsContact C-N 3.34Å; Y960-V963 PolarHBondContact O-N 3.5Å; Y960-F964 WeakPolarHBondContact O-CB 3.38Å; Y960-F964 PolarHBondContact O-N 3.1Å
961	T	91.4	Very high	84.2	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.8	-37.2	172.1	-46.6	0	0	0	0	111.6	T957 Q958 H959 N965 V1012 C1021 T1022 L1024	T957-T961 PolarHBondContact O-N 3.05Å; T957-T961 PolarHBondContact O-OG1 3.47Å; Q958-T961 PolarHBondContact O-N 3Å; H959-T961 VanDerWaalsContact C-N 3.34Å; T961-N965 WeakPolarHBondContact O-CB 3.45Å; T961-N965 PolarHBondContact O-N 3.37Å; T961-V1012 HydrophobicContact CG2-CG1 4.06Å; T961-V1012 HydrophobicContact CG2-CG2 4.48Å; T961-C1021 HydrophobicContact CG2-CB 4Å; T961-T1022 WeakPolarHBondContact CG2-O 3.47Å; T961-T1022 PolarHBondContact OG1-N 2.67Å; T961-T1022 VanDerWaalsContact OG1-N 3.1Å; T961-T1022 PolarHBondContact OG1-OG1 2.91Å; T961-T1022 VanDerWaalsContact OG1-OG1 3.05Å; T961-L1024 HydrophobicContact CG2-CD1 4.37Å; T961-L1024 HydrophobicContact CG2-CD2 4.2Å; T961-L1024 HydrophobicContact CG2-CG 4.23Å
962	I	92.8	Very high	85.6	Confident	3 Å²	3	19.2 Å²	19.2	2%	0.015	11%	0.106	C	C	.	.	H	α-helix	trans	-63.9	-43.1	172.1	-71.5	164.1	0	0	0	111.2	L934 F942 I944 Q958 H959 Y960 T966 L1024 Q1028	L934-I962 HydrophobicContact CD2-CG2 4.36Å; F942-I962 HydrophobicContact CD2-CD1 4.23Å; F942-I962 HydrophobicContact CE2-CG2 4.05Å; F942-I962 HydrophobicContact CG-CD1 4.24Å; F942-I962 HydrophobicContact CZ-CG2 4.5Å; I944-I962 HydrophobicContact CD1-CD1 3.6Å; Q958-I962 WeakPolarHBondContact O-CG1 3.31Å; Q958-I962 PolarHBondContact O-N 2.87Å; H959-I962 PolarHBondContact O-N 3.33Å; Y960-I962 VanDerWaalsContact C-N 3.34Å; I962-T966 VanDerWaalsContact O-CB 3.22Å; I962-T966 WeakPolarHBondContact O-CB 3.25Å; I962-T966 PolarHBondContact O-N 3.44Å; I962-T966 PolarHBondContact O-OG1 2.91Å; I962-L1024 HydrophobicContact CG1-CD1 4.31Å; I962-L1024 HydrophobicContact CG1-CD2 3.81Å; I962-Q1028 HydrophobicContact CD1-CB 4.3Å; I962-Q1028 HydrophobicContact CD1-CG 3.89Å; I962-Q1028 HydrophobicContact CG1-CB 4.41Å
963	V	92.2	Very high	87.4	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-60.1	-52	176.2	174.3	0	0	0	0	110.9	L870 I931 L934 V935 H959 Y960 F967	L870-V963 HydrophobicContact CD2-CG1 4.48Å; I931-V963 HydrophobicContact CD1-CG1 4.2Å; I931-V963 HydrophobicContact CG2-CG1 4.14Å; L934-V963 HydrophobicContact CB-CG2 3.94Å; V935-V963 HydrophobicContact CG2-CG1 3.85Å; V935-V963 HydrophobicContact CG2-CG2 3.82Å; H959-V963 PolarHBondContact O-N 2.82Å; Y960-V963 PolarHBondContact O-N 3.5Å; V963-F967 VanDerWaalsContact O-CB 3.31Å; V963-F967 WeakPolarHBondContact O-CB 3.4Å; V963-F967 PolarHBondContact O-N 2.85Å
964	F	92.6	Very high	89.1	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.5	-48.6	177.9	165.1	-115.4	0	0	0	112.4	L870 Q874 W877 Y960 F967 V968 I1011 V1012	L870-F964 HydrophobicContact CD2-CB 3.92Å; L870-F964 HydrophobicContact CD2-CD2 4.27Å; Q874-F964 HydrophobicContact CB-CD2 3.8Å; Q874-F964 HydrophobicContact CB-CE2 3.7Å; Q874-F964 HydrophobicContact CB-CZ 4.35Å; Q874-F964 HydrophobicContact CG-CD1 4.47Å; Q874-F964 HydrophobicContact CG-CD2 4.01Å; Q874-F964 HydrophobicContact CG-CE1 4.45Å; Q874-F964 HydrophobicContact CG-CE2 3.98Å; Q874-F964 HydrophobicContact CG-CG 4.25Å; Q874-F964 HydrophobicContact CG-CZ 4.21Å; W877-F964 AromaticContact CD1-CZ 3.7Å; Y960-F964 WeakPolarHBondContact O-CB 3.38Å; Y960-F964 PolarHBondContact O-N 3.1Å; F964-F967 WeakPolarHBondContact O-CB 3.47Å; F964-F967 PolarHBondContact O-N 2.85Å; F964-V968 HydrophobicContact CD2-CG2 4.05Å; F964-V968 HydrophobicContact CE2-CG2 3.63Å; F964-V968 HydrophobicContact CZ-CG2 4.14Å; F964-V968 PolarHBondContact O-N 3.49Å; F964-I1011 HydrophobicContact CE1-CG2 4.12Å; F964-I1011 HydrophobicContact CZ-CG2 4.32Å; F964-V1012 HydrophobicContact CE1-CG2 4.33Å
965	N	94.6	Very high	90.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-66.7	-42.5	-177.6	-165.7	29	0	0	0	111.9	T961 F967 V968 L969 Q1008 V1012 L1024 W1029	T961-N965 WeakPolarHBondContact O-CB 3.45Å; T961-N965 PolarHBondContact O-N 3.37Å; N965-F967 VanDerWaalsContact C-N 3.33Å; N965-F967 PolarHBondContact O-N 2.98Å; N965-V968 PolarHBondContact O-N 3.17Å; N965-L969 WeakPolarHBondContact O-CB 3.37Å; N965-L969 VanDerWaalsContact O-CG 3.28Å; N965-L969 WeakPolarHBondContact O-CG 3.43Å; N965-L969 PolarHBondContact O-N 2.96Å; N965-Q1008 WeakPolarHBondContact OD1-CG 3.41Å; N965-Q1008 PolarHBondContact OD1-NE2 2.96Å; N965-V1012 HydrophobicContact CB-CG2 4.17Å; N965-L1024 HydrophobicContact CB-CD1 4.16Å; N965-W1029 VanDerWaalsContact ND2-CE3 3.28Å; N965-W1029 VanDerWaalsContact ND2-CH2 3.32Å; N965-W1029 WeakPolarHBondContact ND2-CH2 3.44Å; N965-W1029 WeakPolarHBondContact ND2-CZ3 3.23Å
966	T	94.9	Very high	91.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.2	-41.7	175.3	-54.7	0	0	0	0	111.1	V930 L934 I962 L969 M970 C1032 I1035	V930-T966 HydrophobicContact CG1-CG2 4.3Å; L934-T966 HydrophobicContact CD1-CG2 3.74Å; I962-T966 VanDerWaalsContact O-CB 3.22Å; I962-T966 WeakPolarHBondContact O-CB 3.25Å; I962-T966 PolarHBondContact O-N 3.44Å; I962-T966 PolarHBondContact O-OG1 2.91Å; T966-L969 PolarHBondContact O-N 2.97Å; T966-M970 HydrophobicContact CG2-CG 4.34Å; T966-M970 HydrophobicContact CG2-SD 3.6Å; T966-M970 WeakPolarHBondContact O-CB 3.24Å; T966-M970 WeakPolarHBondContact O-CG 3.49Å; T966-M970 PolarHBondContact O-N 3.5Å; T966-C1032 PolarHBondContact OG1-SG 3.26Å; T966-I1035 HydrophobicContact CG2-CB 3.98Å; T966-I1035 HydrophobicContact CG2-CD1 4.43Å; T966-I1035 HydrophobicContact CG2-CG2 3.53Å
967	F	94.6	Very high	92.3	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-59.2	-49.5	176.1	-176.6	-116.8	0	0	0	112.5	V850 V853 A854 L870 V878 I931 V963 F964 N965 M970 Q971	V850-F967 HydrophobicContact CG1-CZ 4.27Å; V853-F967 HydrophobicContact CB-CE2 4.38Å; V853-F967 HydrophobicContact CG1-CE2 3.74Å; A854-F967 HydrophobicContact CB-CZ 4.13Å; L870-F967 HydrophobicContact CD1-CD1 3.87Å; L870-F967 HydrophobicContact CD1-CE1 3.96Å; L870-F967 HydrophobicContact CD1-CG 4.46Å; V878-F967 HydrophobicContact CG1-CE1 4.01Å; V878-F967 HydrophobicContact CG2-CD1 4.18Å; V878-F967 HydrophobicContact CG2-CE1 4.01Å; I931-F967 HydrophobicContact CD1-CB 3.82Å; I931-F967 HydrophobicContact CD1-CD2 4.2Å; I931-F967 HydrophobicContact CD1-CG 4.45Å; I931-F967 HydrophobicContact CG1-CD2 4.24Å; V963-F967 VanDerWaalsContact O-CB 3.31Å; V963-F967 WeakPolarHBondContact O-CB 3.4Å; V963-F967 PolarHBondContact O-N 2.85Å; F964-F967 WeakPolarHBondContact O-CB 3.47Å; F964-F967 PolarHBondContact O-N 2.85Å; N965-F967 VanDerWaalsContact C-N 3.33Å; N965-F967 PolarHBondContact O-N 2.98Å; F967-M970 PolarHBondContact O-N 2.74Å; F967-Q971 WeakPolarHBondContact O-CG 3.46Å; F967-Q971 PolarHBondContact O-N 2.83Å; F967-Q971 VanDerWaalsContact O-N 3.08Å
968	V	94.3	Very high	92.7	Very high	3 Å²	3	8 Å²	8	2%	0.018	4%	0.037	C	C	.	.	H	α-helix	trans	-64	-43.5	179	176	0	0	0	0	111.7	V878 I881 F964 N965 M970 Q971 L972 Q1008	V878-V968 HydrophobicContact CG2-CG2 4.12Å; I881-V968 HydrophobicContact CD1-CG1 3.91Å; F964-V968 HydrophobicContact CD2-CG2 4.05Å; F964-V968 HydrophobicContact CE2-CG2 3.63Å; F964-V968 HydrophobicContact CZ-CG2 4.14Å; F964-V968 PolarHBondContact O-N 3.49Å; N965-V968 PolarHBondContact O-N 3.17Å; V968-M970 VanDerWaalsContact C-N 3.34Å; V968-M970 PolarHBondContact O-N 2.93Å; V968-Q971 PolarHBondContact O-N 2.55Å; V968-Q971 VanDerWaalsContact O-N 3.16Å; V968-L972 PolarHBondContact O-N 3.33Å; V968-L972 VanDerWaalsContact O-N 3.08Å; V968-Q1008 HydrophobicContact CB-CG 4.37Å; V968-Q1008 HydrophobicContact CG1-CB 4.43Å; V968-Q1008 HydrophobicContact CG1-CG 3.96Å
969	L	94.9	Very high	92.9	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-62.2	-41.7	177.2	-68.3	175.5	0	0	0	111.7	N965 T966 Q971 L972 F973 F1005 W1029 C1032	N965-L969 WeakPolarHBondContact O-CB 3.37Å; N965-L969 VanDerWaalsContact O-CG 3.28Å; N965-L969 WeakPolarHBondContact O-CG 3.43Å; N965-L969 PolarHBondContact O-N 2.96Å; T966-L969 PolarHBondContact O-N 2.97Å; L969-Q971 VanDerWaalsContact C-N 3.29Å; L969-Q971 PolarHBondContact O-N 3.49Å; L969-L972 HydrophobicContact CD2-CD1 4.4Å; L969-L972 PolarHBondContact O-N 3.19Å; L969-F973 WeakPolarHBondContact O-CD2 3.36Å; L969-F973 PolarHBondContact O-N 3.18Å; L969-F973 VanDerWaalsContact O-N 3.16Å; L969-F1005 HydrophobicContact CD2-CD2 3.61Å; L969-F1005 HydrophobicContact CD2-CE2 3.62Å; L969-W1029 HydrophobicContact CD1-CZ3 4.27Å; L969-C1032 HydrophobicContact CD1-CB 3.82Å
970	M	95.4	Very high	92.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-61.4	-35.9	174.6	-72.8	168.5	62.6	0	0	112.2	Y926 Q927 V930 T966 F967 V968 F973 N974 I1035	Y926-M970 HydrophobicContact CD1-CE 3.86Å; Y926-M970 HydrophobicContact CE1-CE 3.73Å; Q927-M970 HydrophobicContact CB-CE 3.97Å; Q927-M970 HydrophobicContact CG-CE 3.69Å; V930-M970 HydrophobicContact CB-CE 3.99Å; V930-M970 HydrophobicContact CB-SD 4.33Å; V930-M970 HydrophobicContact CG1-CE 4.02Å; V930-M970 HydrophobicContact CG1-SD 3.7Å; V930-M970 HydrophobicContact CG2-CE 4.26Å; T966-M970 HydrophobicContact CG2-CG 4.34Å; T966-M970 HydrophobicContact CG2-SD 3.6Å; T966-M970 WeakPolarHBondContact O-CB 3.24Å; T966-M970 WeakPolarHBondContact O-CG 3.49Å; T966-M970 PolarHBondContact O-N 3.5Å; F967-M970 PolarHBondContact O-N 2.74Å; V968-M970 VanDerWaalsContact C-N 3.34Å; V968-M970 PolarHBondContact O-N 2.93Å; M970-F973 PolarHBondContact O-N 3.4Å; M970-N974 VanDerWaalsContact O-CB 3.28Å; M970-N974 WeakPolarHBondContact O-CB 3.46Å; M970-N974 PolarHBondContact O-N 3.39Å; M970-I1035 HydrophobicContact SD-CG2 3.83Å
971	Q	94	Very high	92.7	Very high	8 Å²	8	6.6 Å²	6.6	4%	0.037	3%	0.031	C	C	.	.	H	α-helix	trans	-67.8	-39.9	172.8	-55.1	-43.2	-16.4	0	0	113.2	F846 V850 F967 V968 L969 F973 N974 E975	F846-Q971 HydrophobicContact CE2-CB 4.11Å; F846-Q971 VanDerWaalsContact CE2-O 3.25Å; F846-Q971 WeakPolarHBondContact CE2-O 3.31Å; F846-Q971 HydrophobicContact CZ-CB 4.08Å; V850-Q971 HydrophobicContact CG1-CG 4.21Å; V850-Q971 HydrophobicContact CG2-CG 4.09Å; F967-Q971 WeakPolarHBondContact O-CG 3.46Å; F967-Q971 PolarHBondContact O-N 2.83Å; F967-Q971 VanDerWaalsContact O-N 3.08Å; V968-Q971 PolarHBondContact O-N 2.55Å; V968-Q971 VanDerWaalsContact O-N 3.16Å; L969-Q971 VanDerWaalsContact C-N 3.29Å; L969-Q971 PolarHBondContact O-N 3.49Å; Q971-F973 VanDerWaalsContact C-N 3.26Å; Q971-F973 PolarHBondContact O-N 3.08Å; Q971-N974 CarbonylContact O-C 3.38Å; Q971-N974 PolarHBondContact O-N 2.88Å; Q971-N974 VanDerWaalsContact O-N 3.14Å; Q971-N974 PolarHBondContact OE1-ND2 2.94Å; Q971-E975 PolarHBondContact O-N 3.33Å
972	L	93.8	Very high	92.2	Very high	7 Å²	7	10.7 Å²	10.7	4%	0.037	5%	0.05	C	C	.	.	H	α-helix	trans	-60.1	-36	175.8	-70.8	169.4	0	0	0	112.6	V968 L969 V1001 T1004 F1005	V968-L972 PolarHBondContact O-N 3.33Å; V968-L972 VanDerWaalsContact O-N 3.08Å; L969-L972 HydrophobicContact CD2-CD1 4.4Å; L969-L972 PolarHBondContact O-N 3.19Å; L972-V1001 HydrophobicContact CD2-CG1 4.42Å; L972-T1004 HydrophobicContact CD1-CG2 4.33Å; L972-T1004 HydrophobicContact CD2-CG2 3.78Å; L972-T1004 HydrophobicContact CG-CG2 4.45Å; L972-F1005 HydrophobicContact CD1-CB 4.12Å; L972-F1005 HydrophobicContact CD1-CD2 4.45Å
973	F	94.6	Very high	91.1	Very high	34 Å²	34	12.3 Å²	12.3	15%	0.149	7%	0.067	C	C	.	.	H	α-helix	trans	-77.9	-33.5	174.3	-67.7	-61.4	0	0	0	113.2	L969 M970 Q971 E975 I976 N977 L1033 G1036 I1037 E1039 L1040	L969-F973 WeakPolarHBondContact O-CD2 3.36Å; L969-F973 PolarHBondContact O-N 3.18Å; L969-F973 VanDerWaalsContact O-N 3.16Å; M970-F973 PolarHBondContact O-N 3.4Å; Q971-F973 VanDerWaalsContact C-N 3.26Å; Q971-F973 PolarHBondContact O-N 3.08Å; F973-E975 VanDerWaalsContact C-N 3.31Å; F973-E975 PolarHBondContact O-N 2.96Å; F973-I976 HydrophobicContact CD1-CD1 4.24Å; F973-I976 PolarHBondContact O-N 3.05Å; F973-N977 PolarHBondContact O-N 3.34Å; F973-N977 VanDerWaalsContact O-N 3.15Å; F973-L1033 HydrophobicContact CE2-CD1 4.01Å; F973-L1033 HydrophobicContact CZ-CD1 3.89Å; F973-G1036 WeakPolarHBondContact CB-O 3.39Å; F973-G1036 WeakPolarHBondContact CD2-O 3.49Å; F973-G1036 WeakPolarHBondContact CG-O 3.49Å; F973-I1037 HydrophobicContact CE1-CG1 4.06Å; F973-I1037 HydrophobicContact CE2-CG1 3.96Å; F973-I1037 HydrophobicContact CZ-CD1 4.5Å; F973-I1037 HydrophobicContact CZ-CG1 3.62Å; F973-E1039 HydrophobicContact CB-CB 4.07Å; F973-E1039 HydrophobicContact CB-CG 4.46Å; F973-L1040 HydrophobicContact CB-CD2 3.93Å; F973-L1040 HydrophobicContact CB-CG 3.98Å; F973-L1040 HydrophobicContact CD1-CD1 3.67Å; F973-L1040 HydrophobicContact CD1-CD2 4.11Å; F973-L1040 HydrophobicContact CD1-CG 3.85Å; F973-L1040 HydrophobicContact CE1-CD1 4.18Å; F973-L1040 HydrophobicContact CG-CD1 4.45Å; F973-L1040 HydrophobicContact CG-CD2 4.47Å; F973-L1040 HydrophobicContact CG-CG 4.19Å; F973-L1040 WeakPolarHBondContact O-CD2 3.36Å
974	N	93.1	Very high	90.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.8	-32.6	170.8	-175.7	21.7	0	0	0	112.5	F846 T849 M970 Q971 I976 N977 S978 E1039	F846-N974 HydrophobicContact CD2-CB 4.4Å; F846-N974 HydrophobicContact CE2-CB 4.23Å; T849-N974 WeakPolarHBondContact CG2-ND2 3.28Å; M970-N974 VanDerWaalsContact O-CB 3.28Å; M970-N974 WeakPolarHBondContact O-CB 3.46Å; M970-N974 PolarHBondContact O-N 3.39Å; Q971-N974 CarbonylContact O-C 3.38Å; Q971-N974 PolarHBondContact O-N 2.88Å; Q971-N974 VanDerWaalsContact O-N 3.14Å; Q971-N974 PolarHBondContact OE1-ND2 2.94Å; N974-I976 VanDerWaalsContact C-N 3.34Å; N974-I976 PolarHBondContact O-N 3.15Å; N974-N977 PolarHBondContact O-N 3.37Å; N974-S978 VanDerWaalsContact O-CB 3.27Å; N974-S978 WeakPolarHBondContact O-CB 3.47Å; N974-S978 PolarHBondContact O-N 3.44Å; N974-S978 PolarHBondContact O-OG 3.45Å; N974-S978 PolarHBondContact OD1-OG 2.85Å; N974-E1039 HydrophobicContact CB-CG 4.04Å
975	E	93	Very high	89.8	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-61.2	-43.2	174.3	-156.9	-166.2	155.9	0	0	110.9	F846 A886 A889 L890 Q971 F973 S978 R979 F997	F846-E975 HydrophobicContact CD1-CG 4.39Å; F846-E975 HydrophobicContact CD2-CB 4.14Å; F846-E975 HydrophobicContact CD2-CG 4.4Å; F846-E975 HydrophobicContact CE1-CG 4.27Å; F846-E975 HydrophobicContact CE2-CB 3.84Å; F846-E975 HydrophobicContact CE2-CG 4.3Å; F846-E975 HydrophobicContact CG-CG 4.44Å; F846-E975 HydrophobicContact CZ-CB 4.08Å; F846-E975 HydrophobicContact CZ-CG 4.22Å; A886-E975 HydrophobicContact CB-CG 4.24Å; A889-E975 VanDerWaalsContact CB-OE1 3.26Å; A889-E975 WeakPolarHBondContact CB-OE1 3.21Å; L890-E975 HydrophobicContact CD1-CG 4.09Å; L890-E975 HydrophobicContact CD2-CG 4.35Å; L890-E975 HydrophobicContact CG-CG 4.29Å; Q971-E975 PolarHBondContact O-N 3.33Å; F973-E975 VanDerWaalsContact C-N 3.31Å; F973-E975 PolarHBondContact O-N 2.96Å; E975-S978 PolarHBondContact O-N 3.04Å; E975-R979 PolarHBondContact O-N 3.44Å; E975-F997 HydrophobicContact CG-CE2 4.01Å; E975-F997 HydrophobicContact CG-CZ 4.48Å; E975-F997 WeakPolarHBondContact OE1-CE2 3.34Å
976	I	92.8	Very high	89.4	Confident	14 Å²	14	27.4 Å²	27.4	7%	0.072	14%	0.138	C	C	.	.	H	α-helix	trans	-63.2	-45	175.3	-63.2	169.4	0	0	0	111.2	F973 N974 S978 R979 V987 F988 F997 L1040	F973-I976 HydrophobicContact CD1-CD1 4.24Å; F973-I976 PolarHBondContact O-N 3.05Å; N974-I976 VanDerWaalsContact C-N 3.34Å; N974-I976 PolarHBondContact O-N 3.15Å; I976-S978 VanDerWaalsContact C-N 3.33Å; I976-S978 PolarHBondContact O-N 3.49Å; I976-R979 WeakPolarHBondContact O-CB 3.37Å; I976-R979 PolarHBondContact O-N 3.13Å; I976-V987 HydrophobicContact CG2-CB 4.3Å; I976-V987 HydrophobicContact CG2-CG2 4.11Å; I976-F988 HydrophobicContact CG2-CD1 4.49Å; I976-F988 HydrophobicContact CG2-CE1 4.19Å; I976-F997 HydrophobicContact CG1-CE1 4.13Å; I976-F997 HydrophobicContact CG1-CZ 3.89Å; I976-L1040 HydrophobicContact CB-CD2 4.17Å; I976-L1040 HydrophobicContact CG2-CD2 4.16Å
977	N	92.3	Very high	89	Confident	8 Å²	8	27.8 Å²	27.8	4%	0.043	14%	0.141	C	C	.	.	H	α-helix	trans	-59.3	-43.9	173.7	-77.1	-32.4	0	0	0	111.5	H923 F973 N974 R979 K980 E1039	H923-N977 PolarHBondContact CE1-ND2 2.8Å; H923-N977 VanDerWaalsContact CE1-ND2 3.34Å; F973-N977 PolarHBondContact O-N 3.34Å; F973-N977 VanDerWaalsContact O-N 3.15Å; N974-N977 PolarHBondContact O-N 3.37Å; N977-R979 PolarHBondContact O-N 2.96Å; N977-R979 VanDerWaalsContact O-N 3.15Å; N977-K980 PolarHBondContact O-N 3.4Å; N977-K980 VanDerWaalsContact O-N 3.08Å; N977-E1039 PolarHBondContact ND2-O 2.91Å
978	S	91.2	Very high	88.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-71.4	-6.8	-174.3	-68.1	0	0	0	0	114.8	K842 Q845 N974 E975 I976 K980	K842-S978 WeakPolarHBondContact CB-O 3.47Å; K842-S978 WeakPolarHBondContact CG-O 3.24Å; Q845-S978 PolarHBondContact NE2-OG 2.96Å; Q845-S978 VanDerWaalsContact NE2-OG 3.08Å; N974-S978 VanDerWaalsContact O-CB 3.27Å; N974-S978 WeakPolarHBondContact O-CB 3.47Å; N974-S978 PolarHBondContact O-N 3.44Å; N974-S978 PolarHBondContact O-OG 3.45Å; N974-S978 PolarHBondContact OD1-OG 2.85Å; E975-S978 PolarHBondContact O-N 3.04Å; I976-S978 VanDerWaalsContact C-N 3.33Å; I976-S978 PolarHBondContact O-N 3.49Å; S978-K980 PolarHBondContact O-N 2.68Å; S978-K980 VanDerWaalsContact O-N 3.17Å
979	R	90.6	Very high	88.1	Confident	13 Å²	13	36 Å²	36	5%	0.049	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.4	163.4	-63.7	-178.6	72	-120.2	1.9	113.3	L890 E893 E975 I976 N977 V987 S989 F997	L890-R979 HydrophobicContact CD2-CG 3.85Å; E893-R979 IonicContact OE1-CZ 2.63Å; E893-R979 VanDerWaalsContact OE1-CZ 3.29Å; E893-R979 IonicContact OE1-NE 2.71Å; E893-R979 PolarHBondContact OE1-NE 3.13Å; E893-R979 IonicContact OE1-NH2 3.69Å; E893-R979 PolarHBondContact OE1-NH2 3.11Å; E893-R979 IonicContact OE2-CZ 2.82Å; E893-R979 IonicContact OE2-NH2 3.34Å; E893-R979 PolarHBondContact OE2-NH2 3.17Å; E975-R979 PolarHBondContact O-N 3.44Å; I976-R979 WeakPolarHBondContact O-CB 3.37Å; I976-R979 PolarHBondContact O-N 3.13Å; N977-R979 PolarHBondContact O-N 2.96Å; N977-R979 VanDerWaalsContact O-N 3.15Å; R979-V987 PolarHBondContact NH1-O 3.49Å; R979-S989 PolarHBondContact NH1-O 2.66Å; R979-F997 HydrophobicContact CG-CE2 3.94Å; R979-F997 HydrophobicContact CG-CZ 4.1Å
980	K	88.3	Confident	87.5	Confident	35 Å²	35	37.5 Å²	37.5	15%	0.152	20%	0.199	C	C	.	.			trans	-123	111.9	-173.9	-62.8	-56	-169.6	171.4	0	113	N977 S978 E984 N986 V987	N977-K980 PolarHBondContact O-N 3.4Å; N977-K980 VanDerWaalsContact O-N 3.08Å; S978-K980 PolarHBondContact O-N 2.68Å; S978-K980 VanDerWaalsContact O-N 3.17Å; K980-E984 HydrophobicContact CB-CB 4.34Å; K980-E984 HydrophobicContact CD-CB 3.98Å; K980-E984 HydrophobicContact CD-CG 4.45Å; K980-E984 WeakPolarHBondContact CE-OE2 3.47Å; K980-E984 HydrophobicContact CG-CB 4.26Å; K980-E984 IonicContact NZ-OE1 2.71Å; K980-E984 PolarHBondContact NZ-OE1 2.86Å; K980-E984 IonicContact NZ-OE2 3.16Å; K980-E984 PolarHBondContact NZ-OE2 2.93Å; K980-N986 WeakPolarHBondContact CE-O 3.2Å; K980-V987 HydrophobicContact CG-CG1 4.2Å
981	I	85.1	Confident	87	Confident	12 Å²	12	38.4 Å²	38.4	6%	0.062	20%	0.204	C	C	.	.			trans	-107.6	-15.9	-174.3	65.6	179.8	0	0	0	115	D838 K842	D838-I981 HydrophobicContact CB-CD1 4.31Å; K842-I981 HydrophobicContact CG-CG2 4.02Å
982	H	80.8	Confident	86.7	Confident	86 Å²	86	47.8 Å²	47.8	40%	0.398	24%	0.241	S	C	.	.	S	Bend	trans	-98	12.9	-176.2	-57.8	103	0	0	0	114.8	D838 R902 Y905	D838-H982 IonicContact OD1-CE1 3.69Å; D838-H982 IonicContact OD2-CE1 3.94Å; D838-H982 PolarHBondContact OD2-CE1 2.81Å; R902-H982 PolarHBondContact NH1-CE1 2.7Å; R902-H982 VanDerWaalsContact NH1-CE1 3.27Å; Y905-H982 PolarHBondContact OH-CE1 2.73Å; Y905-H982 PolarHBondContact OH-NE2 3.28Å
983	G	69.4	Low	86.3	Confident	37 Å²	37	56.3 Å²	56.3	38%	0.381	27%	0.272	S	S	.	.			trans	80	21.3	-176.7	0	0	0	0	0	114.5	K985	G983-K985 PolarHBondContact O-N 3.42Å
984	E	80.1	Confident	85.9	Confident	86 Å²	86	54.8 Å²	54.8	40%	0.402	27%	0.266	S	S	.	.			trans	-67.3	119.7	170.3	-67.3	179.5	-109.3	0	0	110.7	K980 N986	K980-E984 HydrophobicContact CB-CB 4.34Å; K980-E984 HydrophobicContact CD-CB 3.98Å; K980-E984 HydrophobicContact CD-CG 4.45Å; K980-E984 WeakPolarHBondContact CE-OE2 3.47Å; K980-E984 HydrophobicContact CG-CB 4.26Å; K980-E984 IonicContact NZ-OE1 2.71Å; K980-E984 PolarHBondContact NZ-OE1 2.86Å; K980-E984 IonicContact NZ-OE2 3.16Å; K980-E984 PolarHBondContact NZ-OE2 2.93Å; E984-N986 PolarHBondContact O-N 3.47Å
985	K	79.4	Confident	85.7	Confident	137 Å²	137	60.9 Å²	60.9	60%	0.596	30%	0.297	S	S	*	.	S	Bend	trans	-66.3	-37.7	-178.2	-63.5	-174.1	177.7	-174.3	0	113.8	G983 V987 Q1044	G983-K985 PolarHBondContact O-N 3.42Å; K985-V987 PolarHBondContact O-N 2.97Å; K985-V987 VanDerWaalsContact O-N 3.12Å; K985-Q1044 PolarHBondContact O-NE2 3.39Å; K985-Q1044 PolarHBondContact O-OE1 2.97Å
986	N	85.5	Confident	85.5	Confident	95 Å²	95	63.6 Å²	63.6	51%	0.508	31%	0.311	S	S	.	.			trans	-85.1	90.4	-174.5	-170.6	-12.4	0	0	0	112.3	K980 E984 F988 S989	K980-N986 WeakPolarHBondContact CE-O 3.2Å; E984-N986 PolarHBondContact O-N 3.47Å; N986-F988 PolarHBondContact OD1-N 3.37Å; N986-S989 VanDerWaalsContact O-CB 3.3Å; N986-S989 WeakPolarHBondContact O-CB 3.42Å; N986-S989 PolarHBondContact O-N 3.45Å; N986-S989 PolarHBondContact OD1-N 3.31Å
987	V	85.6	Confident	85.5	Confident	8 Å²	8	63 Å²	63	5%	0.048	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-29.9	177.7	-62.3	0	0	0	0	113.7	I976 R979 K980 K985 S989	I976-V987 HydrophobicContact CG2-CB 4.3Å; I976-V987 HydrophobicContact CG2-CG2 4.11Å; R979-V987 PolarHBondContact NH1-O 3.49Å; K980-V987 HydrophobicContact CG-CG1 4.2Å; K985-V987 PolarHBondContact O-N 2.97Å; K985-V987 VanDerWaalsContact O-N 3.12Å; V987-S989 VanDerWaalsContact C-N 3.31Å; V987-S989 PolarHBondContact O-N 2.87Å
988	F	87.7	Confident	85.5	Confident	114 Å²	114	64.6 Å²	64.6	50%	0.5	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-13.6	178.3	-59.7	-69.7	0	0	0	113.4	I976 N986 G990 I991 L1040	I976-F988 HydrophobicContact CG2-CD1 4.49Å; I976-F988 HydrophobicContact CG2-CE1 4.19Å; N986-F988 PolarHBondContact OD1-N 3.37Å; F988-G990 PolarHBondContact O-N 3.1Å; F988-G990 VanDerWaalsContact O-N 3.1Å; F988-I991 HydrophobicContact CD1-CD1 4.31Å; F988-I991 WeakPolarHBondContact O-CB 3.32Å; F988-I991 WeakPolarHBondContact O-CG2 3.43Å; F988-I991 PolarHBondContact O-N 3.03Å; F988-L1040 HydrophobicContact CZ-CD1 4.1Å
989	S	83.8	Confident	85.5	Confident	61 Å²	61	68.3 Å²	68.3	43%	0.427	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	118.9	179.7	-172.4	0	0	0	0	111.1	R979 N986 V987 I991	R979-S989 PolarHBondContact NH1-O 2.66Å; N986-S989 VanDerWaalsContact O-CB 3.3Å; N986-S989 WeakPolarHBondContact O-CB 3.42Å; N986-S989 PolarHBondContact O-N 3.45Å; N986-S989 PolarHBondContact OD1-N 3.31Å; V987-S989 VanDerWaalsContact C-N 3.31Å; V987-S989 PolarHBondContact O-N 2.87Å; S989-I991 VanDerWaalsContact C-N 3.3Å; S989-I991 PolarHBondContact O-N 3.06Å
990	G	80.9	Confident	85.5	Confident	31 Å²	31	68.5 Å²	68.5	32%	0.32	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	12.1	179	0	0	0	0	0	116.2	F988 Y992 R993	F988-G990 PolarHBondContact O-N 3.1Å; F988-G990 VanDerWaalsContact O-N 3.1Å; G990-Y992 VanDerWaalsContact C-N 3.33Å; G990-Y992 PolarHBondContact O-N 3.39Å; G990-R993 VanDerWaalsContact O-CB 3.28Å; G990-R993 WeakPolarHBondContact O-CB 3.15Å; G990-R993 PolarHBondContact O-N 2.9Å
991	I	86.3	Confident	85.7	Confident	20 Å²	20	68 Å²	68	10%	0.103	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-53	-46.1	-176.3	-164.6	167.4	0	0	0	112.9	F988 S989 R993 N994 F997	F988-I991 HydrophobicContact CD1-CD1 4.31Å; F988-I991 WeakPolarHBondContact O-CB 3.32Å; F988-I991 WeakPolarHBondContact O-CG2 3.43Å; F988-I991 PolarHBondContact O-N 3.03Å; S989-I991 VanDerWaalsContact C-N 3.3Å; S989-I991 PolarHBondContact O-N 3.06Å; I991-R993 PolarHBondContact O-N 3.01Å; I991-N994 PolarHBondContact O-N 3.13Å; I991-N994 VanDerWaalsContact O-N 3.12Å; I991-F997 HydrophobicContact CD1-CD1 4.43Å; I991-F997 HydrophobicContact CD1-CE1 4Å; I991-F997 HydrophobicContact CG1-CD1 4.08Å; I991-F997 HydrophobicContact CG1-CE1 4.13Å
992	Y	86.8	Confident	86.2	Confident	205 Å²	205	72.5 Å²	72.5	80%	0.804	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-65.4	-6.9	178.3	-52.5	-69.8	0	0	0	115.1	G990 N994	G990-Y992 VanDerWaalsContact C-N 3.33Å; G990-Y992 PolarHBondContact O-N 3.39Å; Y992-N994 VanDerWaalsContact C-N 3.33Å
993	R	84.7	Confident	86.8	Confident	185 Å²	185	69.8 Å²	69.8	70%	0.698	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-76	-22.6	173.5	-64.4	-175.4	171.5	-165.3	-2.9	112.4	P894 G990 I991	P894-R993 HydrophobicContact CG-CB 4.13Å; G990-R993 VanDerWaalsContact O-CB 3.28Å; G990-R993 WeakPolarHBondContact O-CB 3.15Å; G990-R993 PolarHBondContact O-N 2.9Å; I991-R993 PolarHBondContact O-N 3.01Å
994	N	86.4	Confident	87.8	Confident	3 Å²	3	68.2 Å²	68.2	2%	0.016	35%	0.349	C	S	.	.			trans	-108.3	91.3	175.4	-169.4	-2.5	0	0	0	110.3	A889 T892 I991 Y992 I996 F997 C998	A889-N994 PolarHBondContact O-ND2 3.5Å; T892-N994 PolarHBondContact OG1-ND2 3Å; I991-N994 PolarHBondContact O-N 3.13Å; I991-N994 VanDerWaalsContact O-N 3.12Å; Y992-N994 VanDerWaalsContact C-N 3.33Å; N994-I996 PolarHBondContact O-N 2.97Å; N994-I996 WeakPolarHBondContact OD1-CB 3.29Å; N994-I996 PolarHBondContact OD1-N 2.78Å; N994-I996 VanDerWaalsContact OD1-N 3.17Å; N994-F997 HydrophobicContact CB-CB 3.92Å; N994-F997 WeakPolarHBondContact ND2-CB 3.48Å; N994-F997 PolarHBondContact O-N 3.41Å; N994-F997 PolarHBondContact OD1-N 2.99Å; N994-C998 PolarHBondContact O-N 3.1Å; N994-C998 VanDerWaalsContact O-N 3.17Å; N994-C998 PolarHBondContact O-SG 3.37Å; N994-C998 VanDerWaalsContact O-SG 3.4Å
995	I	89.4	Confident	88.5	Confident	128 Å²	128	67.1 Å²	67.1	66%	0.656	34%	0.343	S	S	*	.	H	α-helix	trans	-61.9	-33.2	177.2	-57.5	175.5	0	0	0	110.7	C998 S999	I995-C998 PolarHBondContact O-N 3.46Å; I995-S999 WeakPolarHBondContact O-CB 3.43Å; I995-S999 PolarHBondContact O-N 2.92Å; I995-S999 PolarHBondContact O-OG 2.93Å
996	I	89.7	Confident	89.2	Confident	58 Å²	58	64.3 Å²	64.3	30%	0.297	33%	0.334	S	S	.	.	H	α-helix	trans	-63.7	-47.7	179	-57.3	173.4	0	0	0	109.7	Y435 L888 T892 N994 C998 S999 V1000	Y435-I996 HydrophobicContact CE2-CD1 4.16Å; L888-I996 HydrophobicContact CD1-CG2 4.42Å; L888-I996 HydrophobicContact CD2-CG2 4.42Å; L888-I996 HydrophobicContact CG-CG2 3.93Å; T892-I996 HydrophobicContact CG2-CD1 4.08Å; N994-I996 PolarHBondContact O-N 2.97Å; N994-I996 WeakPolarHBondContact OD1-CB 3.29Å; N994-I996 PolarHBondContact OD1-N 2.78Å; N994-I996 VanDerWaalsContact OD1-N 3.17Å; I996-C998 PolarHBondContact O-N 3.42Å; I996-S999 PolarHBondContact O-N 2.88Å; I996-V1000 WeakPolarHBondContact O-CG2 3.26Å; I996-V1000 PolarHBondContact O-N 3.39Å
997	F	91.4	Very high	89.6	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.009	33%	0.328	C	S	.	.	H	α-helix	trans	-57.2	-48.4	174.7	-178.2	-85.9	0	0	0	112.2	A889 L890 E975 I976 R979 I991 N994 S999 V1000 V1001	A889-F997 HydrophobicContact CB-CB 4.43Å; A889-F997 HydrophobicContact CB-CD2 3.84Å; L890-F997 HydrophobicContact CD2-CD2 4.16Å; L890-F997 HydrophobicContact CD2-CE2 3.81Å; E975-F997 HydrophobicContact CG-CE2 4.01Å; E975-F997 HydrophobicContact CG-CZ 4.48Å; E975-F997 WeakPolarHBondContact OE1-CE2 3.34Å; I976-F997 HydrophobicContact CG1-CE1 4.13Å; I976-F997 HydrophobicContact CG1-CZ 3.89Å; R979-F997 HydrophobicContact CG-CE2 3.94Å; R979-F997 HydrophobicContact CG-CZ 4.1Å; I991-F997 HydrophobicContact CD1-CD1 4.43Å; I991-F997 HydrophobicContact CD1-CE1 4Å; I991-F997 HydrophobicContact CG1-CD1 4.08Å; I991-F997 HydrophobicContact CG1-CE1 4.13Å; N994-F997 HydrophobicContact CB-CB 3.92Å; N994-F997 WeakPolarHBondContact ND2-CB 3.48Å; N994-F997 PolarHBondContact O-N 3.41Å; N994-F997 PolarHBondContact OD1-N 2.99Å; F997-S999 VanDerWaalsContact C-N 3.34Å; F997-S999 PolarHBondContact O-N 3.25Å; F997-V1000 PolarHBondContact O-N 3.22Å; F997-V1001 HydrophobicContact CD1-CG2 4.19Å; F997-V1001 HydrophobicContact CE1-CG2 3.63Å; F997-V1001 HydrophobicContact CE2-CG2 4.1Å; F997-V1001 HydrophobicContact CZ-CG2 3.56Å; F997-V1001 PolarHBondContact O-N 3.44Å
998	C	92.1	Very high	90	Very high	41 Å²	41	62 Å²	62	28%	0.277	33%	0.325	S	S	.	.	H	α-helix	trans	-62	-40.7	179.6	-63	0	0	0	0	112.4	N994 I995 I996 L1002	N994-C998 PolarHBondContact O-N 3.1Å; N994-C998 VanDerWaalsContact O-N 3.17Å; N994-C998 PolarHBondContact O-SG 3.37Å; N994-C998 VanDerWaalsContact O-SG 3.4Å; I995-C998 PolarHBondContact O-N 3.46Å; I996-C998 PolarHBondContact O-N 3.42Å; C998-L1002 VanDerWaalsContact O-CB 3.29Å; C998-L1002 WeakPolarHBondContact O-CB 3.47Å; C998-L1002 PolarHBondContact O-N 3.23Å; C998-L1002 VanDerWaalsContact O-N 3.15Å
999	S	91.9	Very high	90.3	Very high	77 Å²	77	59.5 Å²	59.5	54%	0.538	32%	0.316	S	S	.	.	H	α-helix	trans	-68.8	-35.4	176.6	-66.4	0	0	0	0	113.1	I995 I996 F997 G1003	I995-S999 WeakPolarHBondContact O-CB 3.43Å; I995-S999 PolarHBondContact O-N 2.92Å; I995-S999 PolarHBondContact O-OG 2.93Å; I996-S999 PolarHBondContact O-N 2.88Å; F997-S999 VanDerWaalsContact C-N 3.34Å; F997-S999 PolarHBondContact O-N 3.25Å; S999-G1003 WeakPolarHBondContact O-CA 3.45Å; S999-G1003 PolarHBondContact O-N 3.5Å
1000	V	91.5	Very high	90.7	Very high	18 Å²	18	62.3 Å²	62.3	11%	0.109	32%	0.321	C	S	.	.	H	α-helix	trans	-67.5	-53.8	176.1	164.9	0	0	0	0	110.8	F885 A889 I996 F997 L1002 G1003 T1004	F885-V1000 HydrophobicContact CB-CG1 3.86Å; A889-V1000 HydrophobicContact CB-CB 3.98Å; A889-V1000 HydrophobicContact CB-CG1 3.94Å; A889-V1000 HydrophobicContact CB-CG2 4.17Å; I996-V1000 WeakPolarHBondContact O-CG2 3.26Å; I996-V1000 PolarHBondContact O-N 3.39Å; F997-V1000 PolarHBondContact O-N 3.22Å; V1000-L1002 VanDerWaalsContact C-N 3.35Å; V1000-L1002 PolarHBondContact O-N 2.98Å; V1000-G1003 PolarHBondContact O-N 3.11Å; V1000-T1004 WeakPolarHBondContact O-CB 3.28Å; V1000-T1004 PolarHBondContact O-N 2.77Å; V1000-T1004 PolarHBondContact O-OG1 3.42Å; V1000-T1004 VanDerWaalsContact O-OG1 3.08Å
1001	V	92.3	Very high	91.2	Very high	25 Å²	25	61.7 Å²	61.7	15%	0.152	31%	0.31	C	S	.	.	H	α-helix	trans	-61	-44.2	-177.5	175	0	0	0	0	111.4	L972 F997 F1005	L972-V1001 HydrophobicContact CD2-CG1 4.42Å; F997-V1001 HydrophobicContact CD1-CG2 4.19Å; F997-V1001 HydrophobicContact CE1-CG2 3.63Å; F997-V1001 HydrophobicContact CE2-CG2 4.1Å; F997-V1001 HydrophobicContact CZ-CG2 3.56Å; F997-V1001 PolarHBondContact O-N 3.44Å; V1001-F1005 WeakPolarHBondContact O-CB 3.35Å; V1001-F1005 PolarHBondContact O-N 3.27Å; V1001-F1005 VanDerWaalsContact O-N 3.11Å
1002	L	93.8	Very high	91.5	Very high	105 Å²	105	60.7 Å²	60.7	55%	0.55	31%	0.305	S	S	.	.	H	α-helix	trans	-69.2	-40.7	177.4	-177.8	61.1	0	0	0	112.2	C998 V1000 F1005 I1006	C998-L1002 VanDerWaalsContact O-CB 3.29Å; C998-L1002 WeakPolarHBondContact O-CB 3.47Å; C998-L1002 PolarHBondContact O-N 3.23Å; C998-L1002 VanDerWaalsContact O-N 3.15Å; V1000-L1002 VanDerWaalsContact C-N 3.35Å; V1000-L1002 PolarHBondContact O-N 2.98Å; L1002-F1005 PolarHBondContact O-N 3.42Å; L1002-I1006 HydrophobicContact CD1-CD1 4.06Å; L1002-I1006 HydrophobicContact CD1-CG1 4.42Å; L1002-I1006 HydrophobicContact CG-CD1 3.95Å; L1002-I1006 VanDerWaalsContact O-CG1 3.3Å; L1002-I1006 WeakPolarHBondContact O-CG1 3.42Å; L1002-I1006 PolarHBondContact O-N 3.03Å
1003	G	93.4	Very high	91.7	Very high	29 Å²	29	54 Å²	54	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-48.4	177.9	0	0	0	0	0	112	S999 V1000 F1005 I1006 C1007	S999-G1003 WeakPolarHBondContact O-CA 3.45Å; S999-G1003 PolarHBondContact O-N 3.5Å; V1000-G1003 PolarHBondContact O-N 3.11Å; G1003-F1005 PolarHBondContact O-N 3.26Å; G1003-I1006 PolarHBondContact O-N 2.9Å; G1003-C1007 PolarHBondContact O-N 3.42Å; G1003-C1007 PolarHBondContact O-SG 3.47Å
1004	T	92	Very high	91.9	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-39.6	177.3	-57.5	0	0	0	0	112	W877 I881 L972 V1000 I1006 C1007 Q1008	W877-T1004 HydrophobicContact CZ2-CG2 4.25Å; I881-T1004 HydrophobicContact CD1-CG2 3.48Å; I881-T1004 VanDerWaalsContact CD1-CG2 3.48Å; I881-T1004 HydrophobicContact CG1-CG2 3.61Å; I881-T1004 HydrophobicContact CG2-CG2 4.1Å; L972-T1004 HydrophobicContact CD1-CG2 4.33Å; L972-T1004 HydrophobicContact CD2-CG2 3.78Å; L972-T1004 HydrophobicContact CG-CG2 4.45Å; V1000-T1004 WeakPolarHBondContact O-CB 3.28Å; V1000-T1004 PolarHBondContact O-N 2.77Å; V1000-T1004 PolarHBondContact O-OG1 3.42Å; V1000-T1004 VanDerWaalsContact O-OG1 3.08Å; T1004-I1006 PolarHBondContact O-N 3.39Å; T1004-C1007 PolarHBondContact O-N 2.88Å; T1004-Q1008 WeakPolarHBondContact O-CB 3.36Å; T1004-Q1008 PolarHBondContact O-N 3.36Å
1005	F	94.5	Very high	91.6	Very high	63 Å²	63	53.1 Å²	53.1	28%	0.276	29%	0.286	S	S	.	.	H	α-helix	trans	-60.5	-43.6	173.7	-179.7	-105	0	0	0	112.3	L969 L972 V1001 L1002 G1003 Q1008 I1009 L1033	L969-F1005 HydrophobicContact CD2-CD2 3.61Å; L969-F1005 HydrophobicContact CD2-CE2 3.62Å; L972-F1005 HydrophobicContact CD1-CB 4.12Å; L972-F1005 HydrophobicContact CD1-CD2 4.45Å; V1001-F1005 WeakPolarHBondContact O-CB 3.35Å; V1001-F1005 PolarHBondContact O-N 3.27Å; V1001-F1005 VanDerWaalsContact O-N 3.11Å; L1002-F1005 PolarHBondContact O-N 3.42Å; G1003-F1005 PolarHBondContact O-N 3.26Å; F1005-Q1008 PolarHBondContact O-N 2.66Å; F1005-I1009 HydrophobicContact CD1-CD1 4.04Å; F1005-I1009 HydrophobicContact CE1-CD1 3.63Å; F1005-I1009 HydrophobicContact CZ-CD1 3.97Å; F1005-I1009 WeakPolarHBondContact O-CG1 3.47Å; F1005-I1009 PolarHBondContact O-N 3.22Å; F1005-I1009 VanDerWaalsContact O-N 3.15Å; F1005-L1033 HydrophobicContact CE2-CD1 4.37Å
1006	I	94.8	Very high	91.3	Very high	77 Å²	77	48.3 Å²	48.3	40%	0.395	27%	0.268	S	S	.	.	H	α-helix	trans	-65.7	-44.6	176.2	-69.8	167.4	0	0	0	111.1	L1002 G1003 T1004 Q1008 I1009 F1010	L1002-I1006 HydrophobicContact CD1-CD1 4.06Å; L1002-I1006 HydrophobicContact CD1-CG1 4.42Å; L1002-I1006 HydrophobicContact CG-CD1 3.95Å; L1002-I1006 VanDerWaalsContact O-CG1 3.3Å; L1002-I1006 WeakPolarHBondContact O-CG1 3.42Å; L1002-I1006 PolarHBondContact O-N 3.03Å; G1003-I1006 PolarHBondContact O-N 2.9Å; T1004-I1006 PolarHBondContact O-N 3.39Å; I1006-Q1008 VanDerWaalsContact C-N 3.31Å; I1006-Q1008 PolarHBondContact O-N 3.48Å; I1006-I1009 PolarHBondContact O-N 3.32Å; I1006-F1010 HydrophobicContact CG2-CD2 3.87Å; I1006-F1010 HydrophobicContact CG2-CE2 3.6Å; I1006-F1010 VanDerWaalsContact O-CD2 3.25Å; I1006-F1010 WeakPolarHBondContact O-CD2 3.42Å; I1006-F1010 PolarHBondContact O-N 2.95Å; I1006-F1010 VanDerWaalsContact O-N 3.13Å
1007	C	92.3	Very high	90.8	Very high	56 Å²	56	49.5 Å²	49.5	38%	0.378	27%	0.271	S	S	.	.	H	α-helix	trans	-61.3	-38.6	175.4	-69.5	0	0	0	0	112.3	W877 G1003 T1004 I1009 F1010 I1011	W877-C1007 HydrophobicContact CH2-CB 3.58Å; W877-C1007 HydrophobicContact CZ2-CB 3.82Å; G1003-C1007 PolarHBondContact O-N 3.42Å; G1003-C1007 PolarHBondContact O-SG 3.47Å; T1004-C1007 PolarHBondContact O-N 2.88Å; C1007-I1009 VanDerWaalsContact C-N 3.35Å; C1007-I1009 PolarHBondContact O-N 3.46Å; C1007-F1010 PolarHBondContact O-N 3.05Å; C1007-I1011 WeakPolarHBondContact O-CG1 3.45Å; C1007-I1011 PolarHBondContact O-N 3.5Å
1008	Q	94.2	Very high	90.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-39.1	176.6	-177	63.1	17.1	0	0	111.9	N965 V968 T1004 F1005 I1006 I1011 V1012	N965-Q1008 WeakPolarHBondContact OD1-CG 3.41Å; N965-Q1008 PolarHBondContact OD1-NE2 2.96Å; V968-Q1008 HydrophobicContact CB-CG 4.37Å; V968-Q1008 HydrophobicContact CG1-CB 4.43Å; V968-Q1008 HydrophobicContact CG1-CG 3.96Å; T1004-Q1008 WeakPolarHBondContact O-CB 3.36Å; T1004-Q1008 PolarHBondContact O-N 3.36Å; F1005-Q1008 PolarHBondContact O-N 2.66Å; I1006-Q1008 VanDerWaalsContact C-N 3.31Å; I1006-Q1008 PolarHBondContact O-N 3.48Å; Q1008-I1011 PolarHBondContact O-N 2.95Å; Q1008-V1012 WeakPolarHBondContact O-CG2 3.26Å; Q1008-V1012 PolarHBondContact O-N 3.45Å
1009	I	93.3	Very high	89.7	Confident	60 Å²	60	53.2 Å²	53.2	31%	0.308	29%	0.289	S	S	.	.	H	α-helix	trans	-60.8	-46.5	172.1	-67.4	164	0	0	0	110.6	F1005 I1006 C1007 I1011 V1012 E1013 W1029	F1005-I1009 HydrophobicContact CD1-CD1 4.04Å; F1005-I1009 HydrophobicContact CE1-CD1 3.63Å; F1005-I1009 HydrophobicContact CZ-CD1 3.97Å; F1005-I1009 WeakPolarHBondContact O-CG1 3.47Å; F1005-I1009 PolarHBondContact O-N 3.22Å; F1005-I1009 VanDerWaalsContact O-N 3.15Å; I1006-I1009 PolarHBondContact O-N 3.32Å; C1007-I1009 VanDerWaalsContact C-N 3.35Å; C1007-I1009 PolarHBondContact O-N 3.46Å; I1009-I1011 PolarHBondContact O-N 3.21Å; I1009-V1012 PolarHBondContact O-N 3.45Å; I1009-E1013 WeakPolarHBondContact O-CB 3.34Å; I1009-E1013 PolarHBondContact O-N 2.8Å; I1009-W1029 HydrophobicContact CB-CH2 4.26Å; I1009-W1029 HydrophobicContact CB-CZ2 4.41Å; I1009-W1029 HydrophobicContact CG1-CH2 3.64Å; I1009-W1029 HydrophobicContact CG1-CZ2 4.11Å; I1009-W1029 HydrophobicContact CG1-CZ3 4.09Å
1010	F	93.1	Very high	89.2	Confident	121 Å²	121	51.2 Å²	51.2	53%	0.531	28%	0.275	S	S	.	.	H	α-helix	trans	-63.3	-39.3	177.7	-77	-66	0	0	0	113.2	I1006 C1007 F1014 G1015	I1006-F1010 HydrophobicContact CG2-CD2 3.87Å; I1006-F1010 HydrophobicContact CG2-CE2 3.6Å; I1006-F1010 VanDerWaalsContact O-CD2 3.25Å; I1006-F1010 WeakPolarHBondContact O-CD2 3.42Å; I1006-F1010 PolarHBondContact O-N 2.95Å; I1006-F1010 VanDerWaalsContact O-N 3.13Å; C1007-F1010 PolarHBondContact O-N 3.05Å; F1010-F1014 AromaticContact CD1-CD2 3.81Å; F1010-F1014 HydrophobicContact CD1-CD2 3.81Å; F1010-F1014 AromaticContact CD1-CE2 3.91Å; F1010-F1014 HydrophobicContact CD1-CE2 3.91Å; F1010-F1014 HydrophobicContact CE1-CE2 4.27Å; F1010-F1014 WeakPolarHBondContact O-CA 3.5Å; F1010-F1014 WeakPolarHBondContact O-CB 3.26Å; F1010-F1014 PolarHBondContact O-N 3.27Å; F1010-G1015 PolarHBondContact O-N 2.91Å
1011	I	90.8	Very high	89.1	Confident	17 Å²	17	50.4 Å²	50.4	9%	0.087	27%	0.27	C	S	.	.	H	α-helix	trans	-67.5	-40.7	178.9	-72.6	164.9	0	0	0	111.7	W877 F964 C1007 Q1008 I1009 G1015 F1019	W877-I1011 HydrophobicContact CD2-CD1 3.59Å; W877-I1011 HydrophobicContact CE3-CD1 4.02Å; W877-I1011 HydrophobicContact CG-CD1 4.13Å; W877-I1011 HydrophobicContact CH2-CD1 4Å; W877-I1011 HydrophobicContact CZ2-CD1 3.54Å; W877-I1011 HydrophobicContact CZ3-CD1 4.21Å; F964-I1011 HydrophobicContact CE1-CG2 4.12Å; F964-I1011 HydrophobicContact CZ-CG2 4.32Å; C1007-I1011 WeakPolarHBondContact O-CG1 3.45Å; C1007-I1011 PolarHBondContact O-N 3.5Å; Q1008-I1011 PolarHBondContact O-N 2.95Å; I1009-I1011 PolarHBondContact O-N 3.21Å; I1011-G1015 WeakPolarHBondContact O-CA 3.34Å; I1011-G1015 PolarHBondContact O-N 3.42Å; I1011-F1019 HydrophobicContact CD1-CE1 4.34Å; I1011-F1019 HydrophobicContact CG1-CE1 4.33Å; I1011-F1019 HydrophobicContact CG1-CZ 4.47Å; I1011-F1019 HydrophobicContact CG2-CB 4.03Å; I1011-F1019 HydrophobicContact CG2-CD1 3.73Å; I1011-F1019 HydrophobicContact CG2-CE1 4.35Å; I1011-F1019 HydrophobicContact CG2-CG 3.86Å
1012	V	92.7	Very high	88.9	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-72.9	-44.9	-179.8	169.1	0	0	0	0	111.7	T961 F964 N965 Q1008 I1009 L1024 W1029	T961-V1012 HydrophobicContact CG2-CG1 4.06Å; T961-V1012 HydrophobicContact CG2-CG2 4.48Å; F964-V1012 HydrophobicContact CE1-CG2 4.33Å; N965-V1012 HydrophobicContact CB-CG2 4.17Å; Q1008-V1012 WeakPolarHBondContact O-CG2 3.26Å; Q1008-V1012 PolarHBondContact O-N 3.45Å; I1009-V1012 PolarHBondContact O-N 3.45Å; V1012-L1024 HydrophobicContact CG1-CB 4.35Å; V1012-L1024 HydrophobicContact CG1-CD1 3.87Å; V1012-L1024 HydrophobicContact CG1-CG 3.77Å; V1012-W1029 HydrophobicContact CB-CH2 4.25Å; V1012-W1029 HydrophobicContact CB-CZ2 3.71Å; V1012-W1029 HydrophobicContact CG1-CH2 4.48Å; V1012-W1029 HydrophobicContact CG1-CZ2 3.65Å; V1012-W1029 HydrophobicContact CG2-CH2 4.34Å; V1012-W1029 HydrophobicContact CG2-CZ2 4.25Å
1013	E	91.8	Very high	88.8	Confident	63 Å²	63	49.3 Å²	49.3	29%	0.294	27%	0.271	S	S	.	.	H	α-helix	trans	-81.2	-30.9	-175.9	-64.8	-54.5	128.3	0	0	114.1	I1009 S1023 L1024 W1029	I1009-E1013 WeakPolarHBondContact O-CB 3.34Å; I1009-E1013 PolarHBondContact O-N 2.8Å; E1013-S1023 WeakPolarHBondContact OE2-CB 3.49Å; E1013-L1024 PolarHBondContact OE1-N 2.99Å; E1013-W1029 PolarHBondContact OE1-NE1 3Å
1014	F	88.9	Confident	88.7	Confident	159 Å²	159	48.5 Å²	48.5	70%	0.697	26%	0.259	S	S	*	.	H	α-helix	trans	-121.8	-9.8	-174.9	-54.7	-87.9	0	0	0	114.5	F1010 G1016	F1010-F1014 AromaticContact CD1-CD2 3.81Å; F1010-F1014 HydrophobicContact CD1-CD2 3.81Å; F1010-F1014 AromaticContact CD1-CE2 3.91Å; F1010-F1014 HydrophobicContact CD1-CE2 3.91Å; F1010-F1014 HydrophobicContact CE1-CE2 4.27Å; F1010-F1014 WeakPolarHBondContact O-CA 3.5Å; F1010-F1014 WeakPolarHBondContact O-CB 3.26Å; F1010-F1014 PolarHBondContact O-N 3.27Å; F1014-G1016 PolarHBondContact O-N 2.96Å
1015	G	80.5	Confident	88.6	Confident	11 Å²	11	50.7 Å²	50.7	11%	0.113	28%	0.275	C	S	.	.			trans	-75.6	-19.4	-176	0	0	0	0	0	115.4	F1010 I1011 P1018 F1019	F1010-G1015 PolarHBondContact O-N 2.91Å; I1011-G1015 WeakPolarHBondContact O-CA 3.34Å; I1011-G1015 PolarHBondContact O-N 3.42Å; G1015-P1018 VanDerWaalsContact O-CD 3.31Å; G1015-P1018 WeakPolarHBondContact O-CD 3.38Å; G1015-F1019 PolarHBondContact O-N 3.18Å; G1015-F1019 VanDerWaalsContact O-N 3.12Å
1016	G	82.6	Confident	88.5	Confident	28 Å²	28	54 Å²	54	29%	0.289	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	-141.4	165.2	0	0	0	0	0	116.4	F1014 F1019 S1020 C1021	F1014-G1016 PolarHBondContact O-N 2.96Å; G1016-F1019 PolarHBondContact O-N 2.92Å; G1016-S1020 PolarHBondContact O-N 3.33Å; G1016-S1020 VanDerWaalsContact O-N 3.13Å; G1016-C1021 CarbonylContact C-O 3.51Å; G1016-C1021 WeakPolarHBondContact CA-O 3.33Å; G1016-C1021 PolarHBondContact O-N 3.44Å
1017	K	79.8	Confident	88.4	Confident	83 Å²	83	53.8 Å²	53.8	36%	0.361	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-46.8	177.9	-65.4	-166.6	178.5	-164.5	0	112.6	E144 A147 F1019 S1020	E144-K1017 IonicContact OE1-NZ 2.7Å; A147-K1017 HydrophobicContact CB-CD 4.35Å; K1017-F1019 PolarHBondContact O-N 3.2Å; K1017-S1020 PolarHBondContact O-N 3.18Å
1018	P	79.4	Confident	88.4	Confident	62 Å²	62	51.8 Å²	51.8	40%	0.403	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-39.3	179.4	-28.9	35.7	0	0	0	116.5	I150 G1015 S1020	I150-P1018 HydrophobicContact CG2-CB 4.23Å; I150-P1018 HydrophobicContact CG2-CG 4.02Å; G1015-P1018 VanDerWaalsContact O-CD 3.31Å; G1015-P1018 WeakPolarHBondContact O-CD 3.38Å; P1018-S1020 VanDerWaalsContact C-N 3.34Å
1019	F	80.9	Confident	88.3	Confident	59 Å²	59	53.3 Å²	53.3	26%	0.259	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	7.3	175.8	-75.9	-89.4	0	0	0	113.1	V873 Q874 I1011 G1015 G1016 K1017 C1021	V873-F1019 HydrophobicContact CG1-CD1 3.7Å; V873-F1019 HydrophobicContact CG1-CE1 3.9Å; V873-F1019 HydrophobicContact CG1-CG 4.33Å; Q874-F1019 WeakPolarHBondContact CG-O 3.39Å; Q874-F1019 PolarHBondContact NE2-O 3.01Å; I1011-F1019 HydrophobicContact CD1-CE1 4.34Å; I1011-F1019 HydrophobicContact CG1-CE1 4.33Å; I1011-F1019 HydrophobicContact CG1-CZ 4.47Å; I1011-F1019 HydrophobicContact CG2-CB 4.03Å; I1011-F1019 HydrophobicContact CG2-CD1 3.73Å; I1011-F1019 HydrophobicContact CG2-CE1 4.35Å; I1011-F1019 HydrophobicContact CG2-CG 3.86Å; G1015-F1019 PolarHBondContact O-N 3.18Å; G1015-F1019 VanDerWaalsContact O-N 3.12Å; G1016-F1019 PolarHBondContact O-N 2.92Å; K1017-F1019 PolarHBondContact O-N 3.2Å; F1019-C1021 HydrophobicContact CB-CB 4.5Å; F1019-C1021 PolarHBondContact O-N 2.93Å; F1019-C1021 PolarHBondContact O-SG 3.35Å
1020	S	81.4	Confident	88.4	Confident	35 Å²	35	55.4 Å²	55.4	25%	0.245	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	39.7	-172.7	-53.7	0	0	0	0	113.1	Q874 P956 G1016 K1017 P1018	Q874-S1020 PolarHBondContact NE2-O 3.39Å; P956-S1020 VanDerWaalsContact CB-C 3.4Å; P956-S1020 WeakPolarHBondContact CB-O 3.4Å; G1016-S1020 PolarHBondContact O-N 3.33Å; G1016-S1020 VanDerWaalsContact O-N 3.13Å; K1017-S1020 PolarHBondContact O-N 3.18Å; P1018-S1020 VanDerWaalsContact C-N 3.34Å
1021	C	88.1	Confident	88.4	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.007	30%	0.296	C	S	.	.			trans	-115.1	159	-177.9	-69.4	0	0	0	0	111.7	T961 G1016 F1019	T961-C1021 HydrophobicContact CG2-CB 4Å; G1016-C1021 CarbonylContact C-O 3.51Å; G1016-C1021 WeakPolarHBondContact CA-O 3.33Å; G1016-C1021 PolarHBondContact O-N 3.44Å; F1019-C1021 HydrophobicContact CB-CB 4.5Å; F1019-C1021 PolarHBondContact O-N 2.93Å; F1019-C1021 PolarHBondContact O-SG 3.35Å
1022	T	89.1	Confident	88.6	Confident	36 Å²	36	54 Å²	54	22%	0.221	29%	0.293	C	S	.	.			trans	-131.1	148.1	170.7	46.4	0	0	0	0	109.4	P956 Q958 T961	P956-T1022 HydrophobicContact CB-CG2 4.11Å; P956-T1022 HydrophobicContact CG-CG2 3.91Å; P956-T1022 WeakPolarHBondContact O-CG2 3.46Å; Q958-T1022 VanDerWaalsContact CA-OG1 3.27Å; Q958-T1022 WeakPolarHBondContact CA-OG1 3.14Å; Q958-T1022 PolarHBondContact N-OG1 2.85Å; T961-T1022 WeakPolarHBondContact CG2-O 3.47Å; T961-T1022 PolarHBondContact OG1-N 2.67Å; T961-T1022 VanDerWaalsContact OG1-N 3.1Å; T961-T1022 PolarHBondContact OG1-OG1 2.91Å; T961-T1022 VanDerWaalsContact OG1-OG1 3.05Å
1023	S	90.4	Very high	88.6	Confident	71 Å²	71	56.4 Å²	56.4	50%	0.497	31%	0.305	S	S	.	.			trans	-59.4	140.4	177.6	44	0	0	0	0	111.4	Q958 E1013	Q958-S1023 PolarHBondContact NE2-O 3.46Å; E1013-S1023 WeakPolarHBondContact OE2-CB 3.49Å
1024	L	91.3	Very high	88.8	Confident	11 Å²	11	59.9 Å²	59.9	6%	0.058	32%	0.32	C	S	.	.			trans	-105.7	140.3	-177.3	-65.3	-176.8	0	0	0	110.1	Q958 T961 I962 N965 V1012 E1013 Q1028 W1029	Q958-L1024 HydrophobicContact CG-CD2 3.57Å; T961-L1024 HydrophobicContact CG2-CD1 4.37Å; T961-L1024 HydrophobicContact CG2-CD2 4.2Å; T961-L1024 HydrophobicContact CG2-CG 4.23Å; I962-L1024 HydrophobicContact CG1-CD1 4.31Å; I962-L1024 HydrophobicContact CG1-CD2 3.81Å; N965-L1024 HydrophobicContact CB-CD1 4.16Å; V1012-L1024 HydrophobicContact CG1-CB 4.35Å; V1012-L1024 HydrophobicContact CG1-CD1 3.87Å; V1012-L1024 HydrophobicContact CG1-CG 3.77Å; E1013-L1024 PolarHBondContact OE1-N 2.99Å; L1024-Q1028 HydrophobicContact CB-CB 4.3Å; L1024-W1029 HydrophobicContact CB-CG 4.39Å
1025	S	91.5	Very high	89	Confident	52 Å²	52	53.7 Å²	53.7	36%	0.364	29%	0.294	S	S	.	.			trans	-62.2	152.1	170.6	67.7	0	0	0	0	110.7	S1027 Q1028 W1029	S1025-S1027 PolarHBondContact O-N 3.01Å; S1025-S1027 VanDerWaalsContact O-N 3.11Å; S1025-Q1028 PolarHBondContact O-N 3.47Å; S1025-Q1028 WeakPolarHBondContact OG-CG 3.33Å; S1025-Q1028 PolarHBondContact OG-N 3.44Å; S1025-Q1028 PolarHBondContact OG-OE1 3.35Å; S1025-W1029 PolarHBondContact O-N 2.99Å
1026	L	91.7	Very high	89.7	Confident	133 Å²	133	53.2 Å²	53.2	70%	0.696	29%	0.288	S	S	*	.	H	α-helix	trans	-55.4	-31.2	175.5	-176.3	62.5	0	0	0	112.3	L1030	L1026-L1030 HydrophobicContact CG-CD1 4.27Å; L1026-L1030 WeakPolarHBondContact O-CB 3.43Å; L1026-L1030 VanDerWaalsContact O-CG 3.25Å; L1026-L1030 WeakPolarHBondContact O-CG 3.38Å; L1026-L1030 PolarHBondContact O-N 3.1Å
1027	S	92.3	Very high	90.2	Very high	72 Å²	72	55.2 Å²	55.2	50%	0.503	29%	0.292	S	S	.	.	H	α-helix	trans	-62	-51.8	172.9	-177.3	0	0	0	0	111.9	S1025 W1029 L1030 W1031	S1025-S1027 PolarHBondContact O-N 3.01Å; S1025-S1027 VanDerWaalsContact O-N 3.11Å; S1027-W1029 PolarHBondContact O-N 2.67Å; S1027-L1030 PolarHBondContact O-N 3.05Å; S1027-W1031 VanDerWaalsContact O-CD1 3.24Å; S1027-W1031 PolarHBondContact O-N 3Å
1028	Q	91.4	Very high	91	Very high	13 Å²	13	52 Å²	52	6%	0.061	28%	0.282	C	S	.	.	H	α-helix	trans	-62.6	-42.2	178.1	-71	154.1	-31.4	0	0	111.1	F942 Q958 I962 L1024 S1025 L1030 W1031 C1032	F942-Q1028 HydrophobicContact CD1-CG 4.28Å; Q958-Q1028 VanDerWaalsContact CD-NE2 3.34Å; I962-Q1028 HydrophobicContact CD1-CB 4.3Å; I962-Q1028 HydrophobicContact CD1-CG 3.89Å; I962-Q1028 HydrophobicContact CG1-CB 4.41Å; L1024-Q1028 HydrophobicContact CB-CB 4.3Å; S1025-Q1028 PolarHBondContact O-N 3.47Å; S1025-Q1028 WeakPolarHBondContact OG-CG 3.33Å; S1025-Q1028 PolarHBondContact OG-N 3.44Å; S1025-Q1028 PolarHBondContact OG-OE1 3.35Å; Q1028-L1030 PolarHBondContact O-N 2.9Å; Q1028-W1031 PolarHBondContact O-N 3.47Å; Q1028-C1032 PolarHBondContact O-N 3.26Å; Q1028-C1032 PolarHBondContact O-SG 3.41Å
1029	W	93.8	Very high	91.6	Very high	33 Å²	33	49 Å²	49	13%	0.125	26%	0.263	C	S	.	.	H	α-helix	trans	-56.2	-45.7	172.8	-93.9	110.1	0	0	0	113.2	N965 L969 I1009 V1012 E1013 L1024 S1025 S1027 W1031 C1032 L1033	N965-W1029 VanDerWaalsContact ND2-CE3 3.28Å; N965-W1029 VanDerWaalsContact ND2-CH2 3.32Å; N965-W1029 WeakPolarHBondContact ND2-CH2 3.44Å; N965-W1029 WeakPolarHBondContact ND2-CZ3 3.23Å; L969-W1029 HydrophobicContact CD1-CZ3 4.27Å; I1009-W1029 HydrophobicContact CB-CH2 4.26Å; I1009-W1029 HydrophobicContact CB-CZ2 4.41Å; I1009-W1029 HydrophobicContact CG1-CH2 3.64Å; I1009-W1029 HydrophobicContact CG1-CZ2 4.11Å; I1009-W1029 HydrophobicContact CG1-CZ3 4.09Å; V1012-W1029 HydrophobicContact CB-CH2 4.25Å; V1012-W1029 HydrophobicContact CB-CZ2 3.71Å; V1012-W1029 HydrophobicContact CG1-CH2 4.48Å; V1012-W1029 HydrophobicContact CG1-CZ2 3.65Å; V1012-W1029 HydrophobicContact CG2-CH2 4.34Å; V1012-W1029 HydrophobicContact CG2-CZ2 4.25Å; E1013-W1029 PolarHBondContact OE1-NE1 3Å; L1024-W1029 HydrophobicContact CB-CG 4.39Å; S1025-W1029 PolarHBondContact O-N 2.99Å; S1027-W1029 PolarHBondContact O-N 2.67Å; W1029-W1031 VanDerWaalsContact C-N 3.32Å; W1029-W1031 PolarHBondContact O-N 3.42Å; W1029-C1032 PolarHBondContact O-N 3.3Å; W1029-L1033 VanDerWaalsContact O-CB 3.3Å; W1029-L1033 WeakPolarHBondContact O-CB 3.37Å; W1029-L1033 PolarHBondContact O-N 3.45Å
1030	L	94.4	Very high	92.1	Very high	104 Å²	104	47.3 Å²	47.3	55%	0.545	26%	0.256	S	S	.	.	H	α-helix	trans	-64.9	-35.8	177.8	-73.9	169	0	0	0	112	L1026 S1027 Q1028 F1034	L1026-L1030 HydrophobicContact CG-CD1 4.27Å; L1026-L1030 WeakPolarHBondContact O-CB 3.43Å; L1026-L1030 VanDerWaalsContact O-CG 3.25Å; L1026-L1030 WeakPolarHBondContact O-CG 3.38Å; L1026-L1030 PolarHBondContact O-N 3.1Å; S1027-L1030 PolarHBondContact O-N 3.05Å; Q1028-L1030 PolarHBondContact O-N 2.9Å; L1030-F1034 VanDerWaalsContact O-CB 3.24Å; L1030-F1034 WeakPolarHBondContact O-CB 3.31Å; L1030-F1034 PolarHBondContact O-N 3.21Å
1031	W	93.6	Very high	92.6	Very high	106 Å²	106	51.5 Å²	51.5	40%	0.402	28%	0.275	S	S	.	.	H	α-helix	trans	-67.6	-47.1	172.8	-80.7	111.1	0	0	0	112.8	F942 S1027 Q1028 W1029 L1033 F1034 I1035	F942-W1031 HydrophobicContact CE1-CB 3.77Å; F942-W1031 AromaticContact CE1-CD1 3.82Å; F942-W1031 AromaticContact CE1-CG 3.78Å; F942-W1031 HydrophobicContact CE1-CG 3.78Å; F942-W1031 HydrophobicContact CZ-CB 3.99Å; F942-W1031 HydrophobicContact CZ-CG 4.3Å; S1027-W1031 VanDerWaalsContact O-CD1 3.24Å; S1027-W1031 PolarHBondContact O-N 3Å; Q1028-W1031 PolarHBondContact O-N 3.47Å; W1029-W1031 VanDerWaalsContact C-N 3.32Å; W1029-W1031 PolarHBondContact O-N 3.42Å; W1031-L1033 VanDerWaalsContact C-N 3.27Å; W1031-L1033 PolarHBondContact O-N 2.95Å; W1031-F1034 HydrophobicContact CE3-CD1 4.1Å; W1031-F1034 HydrophobicContact CZ3-CD1 4.01Å; W1031-F1034 HydrophobicContact CZ3-CE1 4.25Å; W1031-F1034 PolarHBondContact O-N 2.9Å; W1031-I1035 WeakPolarHBondContact O-CB 3.49Å; W1031-I1035 VanDerWaalsContact O-CG1 3.27Å; W1031-I1035 WeakPolarHBondContact O-CG1 3.31Å; W1031-I1035 PolarHBondContact O-N 3.24Å
1032	C	93.9	Very high	92.9	Very high	1 Å²	1	55 Å²	55	1%	0.007	29%	0.289	C	S	.	.	H	α-helix	trans	-57.5	-41.9	175	-60.7	0	0	0	0	111.2	T966 L969 Q1028 W1029 G1036	T966-C1032 PolarHBondContact OG1-SG 3.26Å; L969-C1032 HydrophobicContact CD1-CB 3.82Å; Q1028-C1032 PolarHBondContact O-N 3.26Å; Q1028-C1032 PolarHBondContact O-SG 3.41Å; W1029-C1032 PolarHBondContact O-N 3.3Å; C1032-G1036 PolarHBondContact O-N 3.4Å
1033	L	94.5	Very high	92.9	Very high	51 Å²	51	53.4 Å²	53.4	27%	0.267	28%	0.279	S	S	.	.	H	α-helix	trans	-67.9	-42.7	177.1	-178	63.8	0	0	0	112.6	F973 F1005 W1029 W1031 G1036 I1037	F973-L1033 HydrophobicContact CE2-CD1 4.01Å; F973-L1033 HydrophobicContact CZ-CD1 3.89Å; F1005-L1033 HydrophobicContact CE2-CD1 4.37Å; W1029-L1033 VanDerWaalsContact O-CB 3.3Å; W1029-L1033 WeakPolarHBondContact O-CB 3.37Å; W1029-L1033 PolarHBondContact O-N 3.45Å; W1031-L1033 VanDerWaalsContact C-N 3.27Å; W1031-L1033 PolarHBondContact O-N 2.95Å; L1033-G1036 PolarHBondContact O-N 2.95Å; L1033-I1037 HydrophobicContact CD1-CD1 4.32Å; L1033-I1037 HydrophobicContact CG-CD1 4.07Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.32Å; L1033-I1037 PolarHBondContact O-N 2.92Å
1034	F	95.1	Very high	92.9	Very high	137 Å²	137	53.1 Å²	53.1	60%	0.601	27%	0.27	S	S	*	.	H	α-helix	trans	-62.1	-44.3	176.9	175.2	-100.7	0	0	0	111.8	L1030 W1031 I1037 G1038	L1030-F1034 VanDerWaalsContact O-CB 3.24Å; L1030-F1034 WeakPolarHBondContact O-CB 3.31Å; L1030-F1034 PolarHBondContact O-N 3.21Å; W1031-F1034 HydrophobicContact CE3-CD1 4.1Å; W1031-F1034 HydrophobicContact CZ3-CD1 4.01Å; W1031-F1034 HydrophobicContact CZ3-CE1 4.25Å; W1031-F1034 PolarHBondContact O-N 2.9Å; F1034-I1037 PolarHBondContact O-N 2.97Å; F1034-G1038 PolarHBondContact O-N 2.86Å
1035	I	94.2	Very high	92.8	Very high	29 Å²	29	58 Å²	58	15%	0.149	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-43.3	174.9	-65.5	166	0	0	0	110.3	Y926 V930 T966 M970 W1031 I1037 G1038	Y926-I1035 PolarHBondContact OH-O 3.4Å; V930-I1035 HydrophobicContact CG1-CG2 3.48Å; V930-I1035 VanDerWaalsContact CG1-CG2 3.48Å; V930-I1035 HydrophobicContact CG2-CG2 4.34Å; T966-I1035 HydrophobicContact CG2-CB 3.98Å; T966-I1035 HydrophobicContact CG2-CD1 4.43Å; T966-I1035 HydrophobicContact CG2-CG2 3.53Å; M970-I1035 HydrophobicContact SD-CG2 3.83Å; W1031-I1035 WeakPolarHBondContact O-CB 3.49Å; W1031-I1035 VanDerWaalsContact O-CG1 3.27Å; W1031-I1035 WeakPolarHBondContact O-CG1 3.31Å; W1031-I1035 PolarHBondContact O-N 3.24Å; I1035-I1037 PolarHBondContact O-N 2.87Å; I1035-G1038 WeakPolarHBondContact O-CA 3.29Å; I1035-G1038 PolarHBondContact O-N 3.18Å
1036	G	93.4	Very high	92.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-55	-47.7	172.1	0	0	0	0	0	113.4	F973 C1032 L1033 G1038 E1039	F973-G1036 WeakPolarHBondContact CB-O 3.39Å; F973-G1036 WeakPolarHBondContact CD2-O 3.49Å; F973-G1036 WeakPolarHBondContact CG-O 3.49Å; C1032-G1036 PolarHBondContact O-N 3.4Å; L1033-G1036 PolarHBondContact O-N 2.95Å; G1036-G1038 PolarHBondContact O-N 2.89Å; G1036-E1039 WeakPolarHBondContact O-CB 3.27Å; G1036-E1039 PolarHBondContact O-N 3.41Å; G1036-E1039 VanDerWaalsContact O-N 3.07Å
1037	I	94.8	Very high	92.4	Very high	71 Å²	71	50.9 Å²	50.9	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-63.3	-27.6	176.9	-69.2	165.5	0	0	0	111.5	F973 L1033 F1034 I1035 E1039 L1040	F973-I1037 HydrophobicContact CE1-CG1 4.06Å; F973-I1037 HydrophobicContact CE2-CG1 3.96Å; F973-I1037 HydrophobicContact CZ-CD1 4.5Å; F973-I1037 HydrophobicContact CZ-CG1 3.62Å; L1033-I1037 HydrophobicContact CD1-CD1 4.32Å; L1033-I1037 HydrophobicContact CG-CD1 4.07Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.32Å; L1033-I1037 PolarHBondContact O-N 2.92Å; F1034-I1037 PolarHBondContact O-N 2.97Å; I1035-I1037 PolarHBondContact O-N 2.87Å; I1037-E1039 PolarHBondContact O-N 3.45Å; I1037-L1040 WeakPolarHBondContact O-CB 3.25Å; I1037-L1040 PolarHBondContact O-N 3.38Å; I1037-L1040 VanDerWaalsContact O-N 3.08Å
1038	G	94.8	Very high	92	Very high	15 Å²	15	50.4 Å²	50.4	16%	0.155	25%	0.252	C	S	.	.	H	α-helix	trans	-55.4	-32.1	171.6	0	0	0	0	0	113.9	F1034 I1035 G1036 L1040 L1041 W1042	F1034-G1038 PolarHBondContact O-N 2.86Å; I1035-G1038 WeakPolarHBondContact O-CA 3.29Å; I1035-G1038 PolarHBondContact O-N 3.18Å; G1036-G1038 PolarHBondContact O-N 2.89Å; G1038-L1040 VanDerWaalsContact C-N 3.32Å; G1038-L1040 PolarHBondContact O-N 3.21Å; G1038-L1041 PolarHBondContact O-N 3.46Å; G1038-W1042 WeakPolarHBondContact O-CB 3.43Å; G1038-W1042 PolarHBondContact O-N 3.02Å
1039	E	93.3	Very high	91.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-38.1	174.6	-169	71.9	-105.2	0	0	112.3	H923 Y926 Q927 F973 N974 N977 G1036 I1037 W1042 G1043	H923-E1039 IonicContact CE1-OE1 3.53Å; H923-E1039 IonicContact CG-OE1 3.28Å; H923-E1039 IonicContact ND1-OE1 3.33Å; H923-E1039 PolarHBondContact ND1-OE1 3.43Å; Y926-E1039 HydrophobicContact CE1-CB 4.34Å; Q927-E1039 WeakPolarHBondContact CG-OE2 3.49Å; Q927-E1039 PolarHBondContact NE2-OE2 3.29Å; F973-E1039 HydrophobicContact CB-CB 4.07Å; F973-E1039 HydrophobicContact CB-CG 4.46Å; N974-E1039 HydrophobicContact CB-CG 4.04Å; N977-E1039 PolarHBondContact ND2-O 2.91Å; G1036-E1039 WeakPolarHBondContact O-CB 3.27Å; G1036-E1039 PolarHBondContact O-N 3.41Å; G1036-E1039 VanDerWaalsContact O-N 3.07Å; I1037-E1039 PolarHBondContact O-N 3.45Å; E1039-W1042 PolarHBondContact O-N 3.44Å; E1039-G1043 PolarHBondContact O-N 3.46Å
1040	L	91.7	Very high	90.9	Very high	22 Å²	22	55 Å²	55	12%	0.115	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-42.1	176.4	-61.3	178.6	0	0	0	111.3	F973 I976 F988 I1037 G1038 G1043 Q1044	F973-L1040 HydrophobicContact CB-CD2 3.93Å; F973-L1040 HydrophobicContact CB-CG 3.98Å; F973-L1040 HydrophobicContact CD1-CD1 3.67Å; F973-L1040 HydrophobicContact CD1-CD2 4.11Å; F973-L1040 HydrophobicContact CD1-CG 3.85Å; F973-L1040 HydrophobicContact CE1-CD1 4.18Å; F973-L1040 HydrophobicContact CG-CD1 4.45Å; F973-L1040 HydrophobicContact CG-CD2 4.47Å; F973-L1040 HydrophobicContact CG-CG 4.19Å; F973-L1040 WeakPolarHBondContact O-CD2 3.36Å; I976-L1040 HydrophobicContact CB-CD2 4.17Å; I976-L1040 HydrophobicContact CG2-CD2 4.16Å; F988-L1040 HydrophobicContact CZ-CD1 4.1Å; I1037-L1040 WeakPolarHBondContact O-CB 3.25Å; I1037-L1040 PolarHBondContact O-N 3.38Å; I1037-L1040 VanDerWaalsContact O-N 3.08Å; G1038-L1040 VanDerWaalsContact C-N 3.32Å; G1038-L1040 PolarHBondContact O-N 3.21Å; L1040-G1043 PolarHBondContact O-N 2.9Å; L1040-Q1044 PolarHBondContact O-N 3.35Å
1041	L	91.8	Very high	89.8	Confident	123 Å²	123	52.5 Å²	52.5	64%	0.644	27%	0.273	S	S	*	.	H	α-helix	trans	-69.6	-40	179	-59.6	178.4	0	0	0	110.9	G1038 Q1044 F1045	G1038-L1041 PolarHBondContact O-N 3.46Å; L1041-Q1044 WeakPolarHBondContact O-CB 3.4Å; L1041-Q1044 PolarHBondContact O-N 2.91Å; L1041-F1045 PolarHBondContact O-N 3.11Å
1042	W	93.5	Very high	88.3	Confident	76 Å²	76	58.4 Å²	58.4	29%	0.288	30%	0.295	S	S	.	.	H	α-helix	trans	-65.3	-37.6	175.2	-166.9	-108.2	0	0	0	112.2	G922 F925 Y926 G1038 E1039 Q1044 F1045 I1046	G922-W1042 PolarHBondContact O-NE1 3.39Å; F925-W1042 HydrophobicContact CD1-CZ2 4.34Å; Y926-W1042 VanDerWaalsContact CB-CD1 3.4Å; Y926-W1042 HydrophobicContact CD2-CB 4.22Å; Y926-W1042 AromaticContact CD2-CD2 3.94Å; Y926-W1042 HydrophobicContact CD2-CD2 3.94Å; Y926-W1042 HydrophobicContact CD2-CE3 4.34Å; Y926-W1042 AromaticContact CD2-CG 3.86Å; Y926-W1042 HydrophobicContact CD2-CG 3.86Å; Y926-W1042 HydrophobicContact CE2-CB 4.49Å; Y926-W1042 HydrophobicContact CG-CB 4.28Å; Y926-W1042 AromaticContact CG-CD1 3.81Å; Y926-W1042 HydrophobicContact CG-CD2 4.34Å; Y926-W1042 AromaticContact CG-CG 3.9Å; Y926-W1042 HydrophobicContact CG-CG 3.9Å; G1038-W1042 WeakPolarHBondContact O-CB 3.43Å; G1038-W1042 PolarHBondContact O-N 3.02Å; E1039-W1042 PolarHBondContact O-N 3.44Å; W1042-Q1044 VanDerWaalsContact C-N 3.27Å; W1042-Q1044 PolarHBondContact O-N 3.47Å; W1042-F1045 HydrophobicContact CD2-CD1 4.34Å; W1042-F1045 HydrophobicContact CE3-CB 4.48Å; W1042-F1045 HydrophobicContact CE3-CD1 4.04Å; W1042-F1045 AromaticContact CH2-CD1 3.79Å; W1042-F1045 HydrophobicContact CH2-CD1 3.79Å; W1042-F1045 AromaticContact CH2-CE1 3.81Å; W1042-F1045 HydrophobicContact CH2-CE1 3.81Å; W1042-F1045 HydrophobicContact CZ2-CD1 4.09Å; W1042-F1045 HydrophobicContact CZ2-CE1 4.27Å; W1042-F1045 AromaticContact CZ3-CD1 3.77Å; W1042-F1045 HydrophobicContact CZ3-CD1 3.77Å; W1042-F1045 HydrophobicContact CZ3-CE1 4.11Å; W1042-F1045 HydrophobicContact CZ3-CG 4.46Å; W1042-F1045 WeakPolarHBondContact O-CA 3.26Å; W1042-F1045 WeakPolarHBondContact O-CB 3.46Å; W1042-F1045 PolarHBondContact O-N 3.03Å; W1042-I1046 VanDerWaalsContact CD1-CD1 3.47Å; W1042-I1046 HydrophobicContact CG-CD1 4.42Å; W1042-I1046 WeakPolarHBondContact O-CG1 3.22Å; W1042-I1046 PolarHBondContact O-N 2.99Å
1043	G	90.1	Very high	86.7	Confident	2 Å²	2	62.1 Å²	62.1	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-56.6	-35.8	170.8	0	0	0	0	0	114	H923 E1039 L1040 S1047	H923-G1043 VanDerWaalsContact CE1-CA 3.46Å; H923-G1043 WeakPolarHBondContact CE1-CA 3.45Å; E1039-G1043 PolarHBondContact O-N 3.46Å; L1040-G1043 PolarHBondContact O-N 2.9Å; G1043-S1047 VanDerWaalsContact O-CB 3.26Å; G1043-S1047 WeakPolarHBondContact O-CB 3.42Å; G1043-S1047 PolarHBondContact O-N 2.88Å; G1043-S1047 PolarHBondContact O-OG 2.96Å
1044	Q	89.6	Confident	85.4	Confident	64 Å²	64	61.6 Å²	61.6	30%	0.299	32%	0.318	S	S	.	.	H	α-helix	trans	-69.5	-39.1	172.9	-61.8	-57.3	-50.1	0	0	112.4	K985 L1040 L1041 W1042 S1047 A1048	K985-Q1044 PolarHBondContact O-NE2 3.39Å; K985-Q1044 PolarHBondContact O-OE1 2.97Å; L1040-Q1044 PolarHBondContact O-N 3.35Å; L1041-Q1044 WeakPolarHBondContact O-CB 3.4Å; L1041-Q1044 PolarHBondContact O-N 2.91Å; W1042-Q1044 VanDerWaalsContact C-N 3.27Å; W1042-Q1044 PolarHBondContact O-N 3.47Å; Q1044-S1047 PolarHBondContact O-N 3.15Å; Q1044-A1048 PolarHBondContact O-N 3.4Å
1045	F	89.9	Confident	83.7	Confident	113 Å²	113	63.5 Å²	63.5	50%	0.496	33%	0.326	S	S	.	.	H	α-helix	trans	-64.2	-48.5	175.2	180	-106.4	0	0	0	111.6	L1041 W1042 S1047 A1048 I1049	L1041-F1045 PolarHBondContact O-N 3.11Å; W1042-F1045 HydrophobicContact CD2-CD1 4.34Å; W1042-F1045 HydrophobicContact CE3-CB 4.48Å; W1042-F1045 HydrophobicContact CE3-CD1 4.04Å; W1042-F1045 AromaticContact CH2-CD1 3.79Å; W1042-F1045 HydrophobicContact CH2-CD1 3.79Å; W1042-F1045 AromaticContact CH2-CE1 3.81Å; W1042-F1045 HydrophobicContact CH2-CE1 3.81Å; W1042-F1045 HydrophobicContact CZ2-CD1 4.09Å; W1042-F1045 HydrophobicContact CZ2-CE1 4.27Å; W1042-F1045 AromaticContact CZ3-CD1 3.77Å; W1042-F1045 HydrophobicContact CZ3-CD1 3.77Å; W1042-F1045 HydrophobicContact CZ3-CE1 4.11Å; W1042-F1045 HydrophobicContact CZ3-CG 4.46Å; W1042-F1045 WeakPolarHBondContact O-CA 3.26Å; W1042-F1045 WeakPolarHBondContact O-CB 3.46Å; W1042-F1045 PolarHBondContact O-N 3.03Å; F1045-S1047 VanDerWaalsContact C-N 3.26Å; F1045-S1047 PolarHBondContact O-N 3.08Å; F1045-A1048 WeakPolarHBondContact O-CB 3.37Å; F1045-A1048 PolarHBondContact O-N 3.46Å; F1045-A1048 VanDerWaalsContact O-N 3.1Å; F1045-I1049 HydrophobicContact CD1-CD1 4.37Å; F1045-I1049 HydrophobicContact CE1-CD1 3.95Å; F1045-I1049 HydrophobicContact CZ-CD1 4.32Å; F1045-I1049 PolarHBondContact O-N 3.01Å
1046	I	89.4	Confident	82.3	Confident	6 Å²	6	69.7 Å²	69.7	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-55.1	-45.4	172.3	-63	161.5	0	0	0	110	K918 W1042 A1048 I1049	K918-I1046 HydrophobicContact CD-CG2 4.21Å; K918-I1046 HydrophobicContact CG-CG2 4.11Å; K918-I1046 PolarHBondContact NZ-O 3.47Å; W1042-I1046 VanDerWaalsContact CD1-CD1 3.47Å; W1042-I1046 HydrophobicContact CG-CD1 4.42Å; W1042-I1046 WeakPolarHBondContact O-CG1 3.22Å; W1042-I1046 PolarHBondContact O-N 2.99Å; I1046-A1048 VanDerWaalsContact C-N 3.27Å; I1046-A1048 PolarHBondContact O-N 3.38Å; I1046-I1049 PolarHBondContact O-N 3.09Å; I1046-I1049 VanDerWaalsContact O-N 3.11Å
1047	S	84.6	Confident	80.9	Confident	30 Å²	30	70.2 Å²	70.2	21%	0.21	36%	0.355	C	S	.	.	H	α-helix	trans	-62.6	-29.7	179.9	-65.6	0	0	0	0	113.6	G1043 Q1044 F1045	G1043-S1047 VanDerWaalsContact O-CB 3.26Å; G1043-S1047 WeakPolarHBondContact O-CB 3.42Å; G1043-S1047 PolarHBondContact O-N 2.88Å; G1043-S1047 PolarHBondContact O-OG 2.96Å; Q1044-S1047 PolarHBondContact O-N 3.15Å; F1045-S1047 VanDerWaalsContact C-N 3.26Å; F1045-S1047 PolarHBondContact O-N 3.08Å
1048	A	85.1	Confident	79.5	Confident	63 Å²	63	75.3 Å²	75.3	52%	0.521	38%	0.375	S	S	.	.	H	α-helix	trans	-71.4	-25.8	174.9	0	0	0	0	0	113.5	Q1044 F1045 I1046 P1050	Q1044-A1048 PolarHBondContact O-N 3.4Å; F1045-A1048 WeakPolarHBondContact O-CB 3.37Å; F1045-A1048 PolarHBondContact O-N 3.46Å; F1045-A1048 VanDerWaalsContact O-N 3.1Å; I1046-A1048 VanDerWaalsContact C-N 3.27Å; I1046-A1048 PolarHBondContact O-N 3.38Å; A1048-P1050 WeakPolarHBondContact O-CD 3.47Å
1049	I	83.8	Confident	78.3	Confident	57 Å²	57	77.5 Å²	77.5	29%	0.292	38%	0.381	S	S	.	.	S	Bend	trans	-74.5	118	-179.1	-60.9	169.5	0	0	0	110.5	K918 F1045 I1046 L1054	K918-I1049 PolarHBondContact NZ-O 3.22Å; F1045-I1049 HydrophobicContact CD1-CD1 4.37Å; F1045-I1049 HydrophobicContact CE1-CD1 3.95Å; F1045-I1049 HydrophobicContact CZ-CD1 4.32Å; F1045-I1049 PolarHBondContact O-N 3.01Å; I1046-I1049 PolarHBondContact O-N 3.09Å; I1046-I1049 VanDerWaalsContact O-N 3.11Å; I1049-L1054 HydrophobicContact CG2-CD1 4.06Å; I1049-L1054 HydrophobicContact CG2-CG 4.44Å
1050	P	77.8	Confident	76.7	Confident	86 Å²	86	78.9 Å²	78.9	56%	0.558	39%	0.393	S	S	*	.			trans	-76.1	131.1	-177.7	30.6	-34.3	0	0	0	111.3	A1048 R1052 S1053	A1048-P1050 WeakPolarHBondContact O-CD 3.47Å; P1050-R1052 PolarHBondContact O-N 3.42Å; P1050-S1053 PolarHBondContact O-N 3.11Å; P1050-S1053 PolarHBondContact O-OG 2.96Å
1051	T	70.1	Confident	75	Confident	51 Å²	51	78.2 Å²	78.2	31%	0.313	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-12	-178.7	43.7	0	0	0	0	115.1	T915 K918 S1053 L1054	T915-T1051 HydrophobicContact CG2-CG2 3.67Å; K918-T1051 HydrophobicContact CD-CG2 4.11Å; T1051-S1053 VanDerWaalsContact C-N 3.29Å; T1051-S1053 PolarHBondContact O-N 3.35Å; T1051-L1054 PolarHBondContact O-N 3.25Å
1052	R	63.4	Low	73.4	Confident	229 Å²	229	76.9 Å²	76.9	86%	0.864	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.2	175.9	-70.6	-174.6	176.5	-177	-1.2	113.9	P1050	P1050-R1052 PolarHBondContact O-N 3.42Å
1053	S	60.5	Low	71.3	Confident	80 Å²	80	74.2 Å²	74.2	56%	0.559	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-30.6	175.4	57.3	0	0	0	0	112.9	P1050 T1051 K1055	P1050-S1053 PolarHBondContact O-N 3.11Å; P1050-S1053 PolarHBondContact O-OG 2.96Å; T1051-S1053 VanDerWaalsContact C-N 3.29Å; T1051-S1053 PolarHBondContact O-N 3.35Å; S1053-K1055 VanDerWaalsContact C-N 3.25Å; S1053-K1055 PolarHBondContact O-N 3.01Å
1054	L	67.5	Low	69	Low	39 Å²	39	79.1 Å²	79.1	20%	0.204	41%	0.407	C	S	.	.			trans	-86.2	54	-172.6	-57.2	176.6	0	0	0	112.6	K918 I1049 T1051 F1056 L1057	K918-L1054 HydrophobicContact CB-CD1 4.36Å; K918-L1054 HydrophobicContact CD-CD1 3.73Å; K918-L1054 HydrophobicContact CG-CD1 3.65Å; I1049-L1054 HydrophobicContact CG2-CD1 4.06Å; I1049-L1054 HydrophobicContact CG2-CG 4.44Å; T1051-L1054 PolarHBondContact O-N 3.25Å; L1054-F1056 HydrophobicContact CB-CE1 4.42Å; L1054-F1056 HydrophobicContact CD2-CE1 3.88Å; L1054-F1056 PolarHBondContact O-N 3.33Å; L1054-F1056 VanDerWaalsContact O-N 3.12Å; L1054-L1057 HydrophobicContact CB-CD1 3.73Å; L1054-L1057 HydrophobicContact CB-CG 4.09Å; L1054-L1057 HydrophobicContact CD1-CD1 3.97Å; L1054-L1057 HydrophobicContact CG-CD1 4.49Å; L1054-L1057 PolarHBondContact O-N 3.34Å
1055	K	58.1	Low	66.4	Low	178 Å²	178	79 Å²	79	77%	0.774	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19	-176.4	-71.3	-174.3	178.5	179.5	0	114.8	S1053 L1057	S1053-K1055 VanDerWaalsContact C-N 3.25Å; S1053-K1055 PolarHBondContact O-N 3.01Å; K1055-L1057 VanDerWaalsContact C-N 3.31Å; K1055-L1057 PolarHBondContact O-N 3.11Å
1056	F	66.1	Low	64	Low	158 Å²	158	81.7 Å²	81.7	69%	0.693	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-16.2	179.1	72.3	-94	0	0	0	113.9	L1054 K1058	L1054-F1056 HydrophobicContact CB-CE1 4.42Å; L1054-F1056 HydrophobicContact CD2-CE1 3.88Å; L1054-F1056 PolarHBondContact O-N 3.33Å; L1054-F1056 VanDerWaalsContact O-N 3.12Å; F1056-K1058 PolarHBondContact O-N 2.81Å
1057	L	63.9	Low	61.3	Low	12 Å²	12	88.8 Å²	88.8	6%	0.063	46%	0.455	C	S	.	.			trans	-71.5	109.2	-179.7	-64.6	178.2	0	0	0	110.8	M917 K918 L921 L1054 K1055	M917-L1057 HydrophobicContact CG-CD2 4.09Å; K918-L1057 HydrophobicContact CB-CD1 3.86Å; L921-L1057 HydrophobicContact CD1-CD2 3.82Å; L1054-L1057 HydrophobicContact CB-CD1 3.73Å; L1054-L1057 HydrophobicContact CB-CG 4.09Å; L1054-L1057 HydrophobicContact CD1-CD1 3.97Å; L1054-L1057 HydrophobicContact CG-CD1 4.49Å; L1054-L1057 PolarHBondContact O-N 3.34Å; K1055-L1057 VanDerWaalsContact C-N 3.31Å; K1055-L1057 PolarHBondContact O-N 3.11Å
1058	K	65.3	Low	58.7	Low	177 Å²	177	93 Å²	93	77%	0.77	47%	0.472	S	S	*	.			trans	-74.2	151.7	171.4	-65.1	-175.7	179.1	-179.2	0	111	F1056	F1056-K1058 PolarHBondContact O-N 2.81Å
1059	E	69.8	Low	56.4	Low	62 Å²	62	93.8 Å²	93.8	29%	0.29	47%	0.467	S	S	.	.			trans	-87.6	155.8	170.8	-65.9	171.1	-134	0	0	109.9	P910 R914	P910-E1059 HydrophobicContact CB-CB 4.15Å; P910-E1059 HydrophobicContact CG-CB 3.69Å; P910-E1059 HydrophobicContact CG-CG 4.27Å; P910-E1059 WeakPolarHBondContact CG-OE2 3.42Å; R914-E1059 HydrophobicContact CG-CG 3.56Å; R914-E1059 IonicContact CZ-OE1 2.69Å; R914-E1059 IonicContact NE-OE1 2.94Å; R914-E1059 PolarHBondContact NE-OE1 3.05Å; R914-E1059 IonicContact NH2-OE1 2.83Å; R914-E1059 PolarHBondContact NH2-OE1 3.35Å
1060	A	59	Low	53.9	Low	29 Å²	29	96.6 Å²	96.6	24%	0.24	49%	0.487	C	S	.	.	B	Isolated β-bridge	trans	-145.4	158	-175.3	0	0	0	0	0	113.2	P910 L911 I912 M917	P910-A1060 VanDerWaalsContact CB-O 3.29Å; P910-A1060 WeakPolarHBondContact CB-O 3.32Å; L911-A1060 PolarHBondContact N-O 2.91Å; I912-A1060 HydrophobicContact CB-CB 4.17Å; I912-A1060 HydrophobicContact CD1-CB 4.14Å; I912-A1060 PolarHBondContact N-O 3.23Å; I912-A1060 PolarHBondContact O-N 3.01Å; M917-A1060 HydrophobicContact CE-CB 4.36Å
1061	G	55.8	Low	51.7	Low	8 Å²	8	101.5 Å²	101.5	8%	0.082	50%	0.499	C	S	.	.			trans	75.4	46.3	-175.5	0	0	0	0	0	113.5	P910 L911	P910-G1061 WeakPolarHBondContact CA-O 3.36Å; L911-G1061 PolarHBondContact N-O 3.03Å; L911-G1061 VanDerWaalsContact N-O 3.08Å
1062	H	59	Low	49.8	Very low	94 Å²	94	106.6 Å²	106.6	44%	0.435	52%	0.524	S	S	.	.			trans	-70.1	144.7	171.7	-69.3	-88.8	0	0	0	111.6	R358	R358-H1062 PolarHBondContact NH1-O 3.14Å
1063	G	47.8	Very low	48.4	Very low	21 Å²	21	98.5 Å²	98.5	22%	0.216	51%	0.507	C	S	.	.			trans	-68.8	178.1	169.2	0	0	0	0	0	112.5	R358	R358-G1063 PolarHBondContact NH1-O 3.44Å
1064	T	42.4	Very low	47	Very low	104 Å²	104	104.6 Å²	104.6	64%	0.638	53%	0.526	S	S	*	.			trans	-75.1	138	169.2	36.3	0	0	0	0	110.8
1065	T	35.8	Very low	45.4	Very low	63 Å²	63	106.4 Å²	106.4	39%	0.387	55%	0.554	S	S	.	*			trans	-92.4	135	174	-13	0	0	0	0	108.5	E1067 E1068	T1065-E1067 PolarHBondContact O-N 3.02Å; T1065-E1067 VanDerWaalsContact O-N 3.08Å; T1065-E1068 PolarHBondContact O-N 2.87Å
1066	K	39.4	Very low	44.1	Very low	169 Å²	169	105.7 Å²	105.7	74%	0.735	56%	0.558	S	S	*	*	H	α-helix	trans	-55.4	-30.2	-178.8	-106.2	-170.6	172.5	-170.5	0	113.2	E1068 I1069	K1066-E1068 VanDerWaalsContact C-N 3.32Å; K1066-E1068 PolarHBondContact O-N 3.08Å; K1066-I1069 WeakPolarHBondContact O-CB 3.34Å; K1066-I1069 PolarHBondContact O-N 3.09Å; K1066-I1069 VanDerWaalsContact O-N 3.13Å
1067	E	31.6	Very low	42.6	Very low	154 Å²	154	103.8 Å²	103.8	72%	0.72	56%	0.555	S	S	*	*	H	α-helix	trans	-67.2	-27.1	-176.8	-61.4	177.8	148.8	0	0	113.9	T1065 I1069 T1070	T1065-E1067 PolarHBondContact O-N 3.02Å; T1065-E1067 VanDerWaalsContact O-N 3.08Å; E1067-I1069 VanDerWaalsContact C-N 3.25Å; E1067-I1069 PolarHBondContact O-N 2.84Å; E1067-T1070 WeakPolarHBondContact CA-OG1 3.41Å; E1067-T1070 PolarHBondContact O-OG1 3.01Å
1068	E	29.6	Very low	41.6	Very low	120 Å²	120	111.8 Å²	111.8	56%	0.561	59%	0.592	S	S	*	*	H	α-helix	trans	-71.7	-20.5	174.1	-68.9	179.4	125.3	0	0	112.1	T1065 K1066	T1065-E1068 PolarHBondContact O-N 2.87Å; K1066-E1068 VanDerWaalsContact C-N 3.32Å; K1066-E1068 PolarHBondContact O-N 3.08Å
1069	I	37.1	Very low	40.2	Very low	79 Å²	79	109.1 Å²	109.1	41%	0.405	59%	0.585	S	S	.	*	H	α-helix	trans	-80.3	-32.9	179.4	-52.7	175.6	0	0	0	110.5	K1066 E1067 K1071	K1066-I1069 WeakPolarHBondContact O-CB 3.34Å; K1066-I1069 PolarHBondContact O-N 3.09Å; K1066-I1069 VanDerWaalsContact O-N 3.13Å; E1067-I1069 VanDerWaalsContact C-N 3.25Å; E1067-I1069 PolarHBondContact O-N 2.84Å; I1069-K1071 VanDerWaalsContact C-N 3.3Å; I1069-K1071 PolarHBondContact O-N 3.41Å
1070	T	32.3	Very low	39	Very low	116 Å²	116	109.4 Å²	109.4	71%	0.712	59%	0.589	S	S	*	*	H	α-helix	trans	-79.9	13	-171.1	36.9	0	0	0	0	116.6	E1067	E1067-T1070 WeakPolarHBondContact CA-OG1 3.41Å; E1067-T1070 PolarHBondContact O-OG1 3.01Å
1071	K	30.6	Very low	38	Very low	189 Å²	189	115.4 Å²	115.4	82%	0.822	61%	0.611	S	S	*	*	H	α-helix	trans	-126.2	-28.7	178	-83	-170.2	171.6	-177.8	0	116.4	I1069	I1069-K1071 VanDerWaalsContact C-N 3.3Å; I1069-K1071 PolarHBondContact O-N 3.41Å
1072	D	30.8	Very low	37.3	Very low	158 Å²	158	116.5 Å²	116.5	85%	0.845	62%	0.62	S	S	*	*	H	α-helix	trans	-111.1	9	-174.3	-66.6	-12.3	0	0	0	113.3
1073	A	34.3	Very low	36.5	Very low	59 Å²	59	115.6 Å²	115.6	49%	0.488	62%	0.616	S	S	.	*			trans	-135.3	45.9	-166.8	0	0	0	0	0	115.8
1074	E	30.7	Very low	36.3	Very low	207 Å²	207	118.5 Å²	118.5	97%	0.967	62%	0.624	S	S	*	*	S	Bend	trans	-90.3	109.8	158	-70.8	-166.2	154.8	0	0	109.9
1075	G	34.2	Very low	36.5	Very low	77 Å²	77	118.4 Å²	118.4	79%	0.794	62%	0.617	S	S	*	*	S	Bend	trans	118.6	-2.5	166.9	0	0	0	0	0	118.1
1076	L	31.6	Very low	36.8	Very low	163 Å²	163	120.5 Å²	120.5	85%	0.853	63%	0.625	S	S	*	*	S	Bend	trans	-132.1	128.3	175.2	-77.7	167.8	0	0	0	111.4
1077	D	33.4	Very low	37	Very low	119 Å²	119	119.3 Å²	119.3	64%	0.636	62%	0.616	S	S	*	*			trans	-54.9	146	176.2	-74.9	-50.6	0	0	0	112	K343 I1079	K343-D1077 IonicContact NZ-OD1 3.29Å; K343-D1077 IonicContact NZ-OD2 3.38Å; K343-D1077 PolarHBondContact NZ-OD2 3.12Å; D1077-I1079 PolarHBondContact O-N 3.22Å
1078	E	43	Very low	37.5	Very low	180 Å²	180	119.6 Å²	119.6	84%	0.841	61%	0.611	S	S	*	*			trans	-55.6	106.2	-178.2	-67.3	-175.5	126.6	0	0	113
1079	I	37	Very low	38.1	Very low	121 Å²	121	115.8 Å²	115.8	62%	0.621	60%	0.604	S	S	*	*			trans	-110.9	127.4	166.4	-64.6	176.1	0	0	0	107.9	D1077 H1081 M1084	D1077-I1079 PolarHBondContact O-N 3.22Å; I1079-H1081 PolarHBondContact O-N 3.42Å; I1079-M1084 HydrophobicContact CG2-CB 4.34Å
1080	D	42.9	Very low	38.3	Very low	68 Å²	68	117.2 Å²	117.2	36%	0.364	61%	0.608	S	S	.	*			trans	-54.8	107.6	177.2	-178.1	-13.6	0	0	0	110.9	K349 A1082 E1083 M1084	K349-D1080 IonicContact NZ-OD2 2.68Å; K349-D1080 PolarHBondContact NZ-OD2 2.96Å; D1080-A1082 PolarHBondContact O-N 2.88Å; D1080-A1082 VanDerWaalsContact O-N 3.13Å; D1080-A1082 WeakPolarHBondContact OD1-CB 3.38Å; D1080-A1082 PolarHBondContact OD1-N 2.83Å; D1080-E1083 HydrophobicContact CB-CB 4.03Å; D1080-E1083 PolarHBondContact O-N 3.32Å; D1080-M1084 PolarHBondContact O-N 3.04Å
1081	H	38.8	Very low	38.9	Very low	154 Å²	154	116.2 Å²	116.2	71%	0.713	60%	0.598	S	S	*	*	H	α-helix	trans	-55.1	-30.9	-178.3	-98.5	-93.4	0	0	0	112.9	I1079 M1084 E1085	I1079-H1081 PolarHBondContact O-N 3.42Å; H1081-M1084 PolarHBondContact O-N 3Å; H1081-E1085 PolarHBondContact O-N 3.01Å
1082	A	41.8	Very low	39.7	Very low	32 Å²	32	112.9 Å²	112.9	26%	0.264	59%	0.588	S	S	.	*	H	α-helix	trans	-72.8	-39.9	177.5	0	0	0	0	0	111.5	D1080 M1084 E1085 L1086	D1080-A1082 PolarHBondContact O-N 2.88Å; D1080-A1082 VanDerWaalsContact O-N 3.13Å; D1080-A1082 WeakPolarHBondContact OD1-CB 3.38Å; D1080-A1082 PolarHBondContact OD1-N 2.83Å; A1082-M1084 VanDerWaalsContact C-N 3.31Å; A1082-E1085 PolarHBondContact O-N 3.5Å; A1082-L1086 WeakPolarHBondContact O-CB 3.33Å; A1082-L1086 PolarHBondContact O-N 3.26Å
1083	E	41.6	Very low	40.5	Very low	74 Å²	74	113 Å²	113	35%	0.346	58%	0.577	S	S	.	*	H	α-helix	trans	-68.8	-32.6	174.6	-156.4	178.9	130.4	0	0	111.3	K349 D1080 L1086 R1087	K349-E1083 IonicContact NZ-OE2 2.71Å; K349-E1083 PolarHBondContact NZ-OE2 2.91Å; D1080-E1083 HydrophobicContact CB-CB 4.03Å; D1080-E1083 PolarHBondContact O-N 3.32Å; E1083-L1086 PolarHBondContact O-N 3.36Å; E1083-R1087 WeakPolarHBondContact O-CB 3.46Å; E1083-R1087 WeakPolarHBondContact O-CG 3.29Å; E1083-R1087 PolarHBondContact O-N 3.09Å; E1083-R1087 IonicContact OE1-CZ 2.7Å; E1083-R1087 IonicContact OE1-NE 2.81Å; E1083-R1087 IonicContact OE1-NH2 3.62Å; E1083-R1087 PolarHBondContact OE1-NH2 2.86Å
1084	M	43	Very low	41	Very low	82 Å²	82	116.2 Å²	116.2	40%	0.404	58%	0.58	S	S	.	*	H	α-helix	trans	-70.5	-38	172.7	-173.1	176.3	172	0	0	113.1	I1079 D1080 H1081 A1082 R1088	I1079-M1084 HydrophobicContact CG2-CB 4.34Å; D1080-M1084 PolarHBondContact O-N 3.04Å; H1081-M1084 PolarHBondContact O-N 3Å; A1082-M1084 VanDerWaalsContact C-N 3.31Å; M1084-R1088 WeakPolarHBondContact O-CB 3.22Å; M1084-R1088 PolarHBondContact O-N 3.01Å
1085	E	46.4	Very low	41.9	Very low	102 Å²	102	115 Å²	115	48%	0.477	57%	0.567	S	S	.	*	H	α-helix	trans	-60.3	-45.7	169.3	-85.1	-159.2	155.7	0	0	111.3	K365 H1081 A1082 R1088 G1089	K365-E1085 IonicContact NZ-OE1 2.61Å; K365-E1085 PolarHBondContact NZ-OE1 3.47Å; K365-E1085 IonicContact NZ-OE2 3.16Å; K365-E1085 PolarHBondContact NZ-OE2 2.89Å; H1081-E1085 PolarHBondContact O-N 3.01Å; A1082-E1085 PolarHBondContact O-N 3.5Å; E1085-R1088 WeakPolarHBondContact O-CB 3.39Å; E1085-R1088 PolarHBondContact O-N 3.39Å; E1085-G1089 PolarHBondContact O-N 3.29Å
1086	L	42.6	Very low	42.9	Very low	107 Å²	107	112.8 Å²	112.8	56%	0.56	54%	0.544	S	S	*	.	H	α-helix	trans	-65.7	-43.8	-176.8	-141.7	159.6	0	0	0	111.2	A1082 E1083 G1089 Q1090	A1082-L1086 WeakPolarHBondContact O-CB 3.33Å; A1082-L1086 PolarHBondContact O-N 3.26Å; E1083-L1086 PolarHBondContact O-N 3.36Å; L1086-G1089 PolarHBondContact O-N 2.93Å; L1086-Q1090 PolarHBondContact O-N 2.97Å; L1086-Q1090 VanDerWaalsContact O-N 3.1Å
1087	R	43.4	Very low	43.9	Very low	144 Å²	144	108.4 Å²	108.4	54%	0.543	52%	0.521	S	S	.	.	H	α-helix	trans	-64.2	-38.5	170.7	-70.2	179.3	-168.2	-122.5	4.5	112.5	E1083 G1089 Q1090 I1091	E1083-R1087 WeakPolarHBondContact O-CB 3.46Å; E1083-R1087 WeakPolarHBondContact O-CG 3.29Å; E1083-R1087 PolarHBondContact O-N 3.09Å; E1083-R1087 IonicContact OE1-CZ 2.7Å; E1083-R1087 IonicContact OE1-NE 2.81Å; E1083-R1087 IonicContact OE1-NH2 3.62Å; E1083-R1087 PolarHBondContact OE1-NH2 2.86Å; R1087-G1089 VanDerWaalsContact C-N 3.3Å; R1087-G1089 PolarHBondContact O-N 2.95Å; R1087-Q1090 PolarHBondContact O-N 2.05Å; R1087-I1091 WeakPolarHBondContact O-CB 3.12Å; R1087-I1091 WeakPolarHBondContact O-CD1 3.19Å; R1087-I1091 VanDerWaalsContact O-CG1 3.23Å; R1087-I1091 WeakPolarHBondContact O-CG1 3.3Å; R1087-I1091 PolarHBondContact O-N 3.08Å
1088	R	41.8	Very low	44.9	Very low	161 Å²	161	107.2 Å²	107.2	61%	0.608	52%	0.515	S	S	*	.	H	α-helix	trans	-59	-41.9	171.8	-93.4	-176.8	167.3	-176.7	-1.4	111.3	M1084 E1085 I1091 L1092	M1084-R1088 WeakPolarHBondContact O-CB 3.22Å; M1084-R1088 PolarHBondContact O-N 3.01Å; E1085-R1088 WeakPolarHBondContact O-CB 3.39Å; E1085-R1088 PolarHBondContact O-N 3.39Å; R1088-I1091 PolarHBondContact O-N 3.31Å; R1088-L1092 WeakPolarHBondContact O-CB 3.44Å; R1088-L1092 VanDerWaalsContact O-CG 3.26Å; R1088-L1092 WeakPolarHBondContact O-CG 3.3Å; R1088-L1092 PolarHBondContact O-N 3.11Å
1089	G	43.4	Very low	45.6	Very low	40 Å²	40	107.1 Å²	107.1	41%	0.412	51%	0.507	S	S	.	.	H	α-helix	trans	-57.2	-52.4	174.5	0	0	0	0	0	112.3	E1085 L1086 R1087 I1091 L1092 W1093	E1085-G1089 PolarHBondContact O-N 3.29Å; L1086-G1089 PolarHBondContact O-N 2.93Å; R1087-G1089 VanDerWaalsContact C-N 3.3Å; R1087-G1089 PolarHBondContact O-N 2.95Å; G1089-I1091 PolarHBondContact O-N 3.42Å; G1089-L1092 PolarHBondContact O-N 3.22Å; G1089-W1093 WeakPolarHBondContact O-CB 3.34Å; G1089-W1093 PolarHBondContact O-N 3.41Å
1090	Q	41.5	Very low	46.7	Very low	108 Å²	108	105.4 Å²	105.4	51%	0.505	50%	0.498	S	S	.	.	H	α-helix	trans	-59.4	-45.1	176.1	-69.8	176.7	-27.3	0	0	112.4	L1086 R1087 L1092 W1093 F1094	L1086-Q1090 PolarHBondContact O-N 2.97Å; L1086-Q1090 VanDerWaalsContact O-N 3.1Å; R1087-Q1090 PolarHBondContact O-N 2.05Å; Q1090-L1092 PolarHBondContact O-N 3.35Å; Q1090-W1093 PolarHBondContact O-N 2.83Å; Q1090-F1094 WeakPolarHBondContact O-CD2 3.44Å; Q1090-F1094 PolarHBondContact O-N 3.26Å
1091	I	44.9	Very low	47.5	Very low	96 Å²	96	107.9 Å²	107.9	49%	0.492	51%	0.507	S	S	.	.	H	α-helix	trans	-63.7	-40.1	178.5	-69.2	163.9	0	0	0	111.4	R1087 R1088 G1089 R1095	R1087-I1091 WeakPolarHBondContact O-CB 3.12Å; R1087-I1091 WeakPolarHBondContact O-CD1 3.19Å; R1087-I1091 VanDerWaalsContact O-CG1 3.23Å; R1087-I1091 WeakPolarHBondContact O-CG1 3.3Å; R1087-I1091 PolarHBondContact O-N 3.08Å; R1088-I1091 PolarHBondContact O-N 3.31Å; G1089-I1091 PolarHBondContact O-N 3.42Å; I1091-R1095 WeakPolarHBondContact O-CB 3.1Å; I1091-R1095 VanDerWaalsContact O-CG 3.26Å; I1091-R1095 WeakPolarHBondContact O-CG 3.43Å; I1091-R1095 PolarHBondContact O-N 3.43Å
1092	L	46.7	Very low	48.6	Very low	119 Å²	119	104.3 Å²	104.3	62%	0.623	50%	0.497	S	S	*	.	H	α-helix	trans	-66.1	-38.7	174.5	-74.9	166.9	0	0	0	111.6	R1088 G1089 Q1090 R1095 G1096	R1088-L1092 WeakPolarHBondContact O-CB 3.44Å; R1088-L1092 VanDerWaalsContact O-CG 3.26Å; R1088-L1092 WeakPolarHBondContact O-CG 3.3Å; R1088-L1092 PolarHBondContact O-N 3.11Å; G1089-L1092 PolarHBondContact O-N 3.22Å; Q1090-L1092 PolarHBondContact O-N 3.35Å; L1092-R1095 PolarHBondContact O-N 2.78Å; L1092-G1096 PolarHBondContact O-N 3.26Å
1093	W	46.8	Very low	49.7	Very low	161 Å²	161	108.1 Å²	108.1	61%	0.61	51%	0.509	S	S	*	.	H	α-helix	trans	-66.5	-45	176.5	-168.3	81	0	0	0	112.4	G1089 Q1090 R1095 G1096 L1097	G1089-W1093 WeakPolarHBondContact O-CB 3.34Å; G1089-W1093 PolarHBondContact O-N 3.41Å; Q1090-W1093 PolarHBondContact O-N 2.83Å; W1093-R1095 VanDerWaalsContact C-N 3.33Å; W1093-R1095 PolarHBondContact O-N 3.41Å; W1093-G1096 CarbonylContact O-C 3.58Å; W1093-G1096 WeakPolarHBondContact O-CA 3.48Å; W1093-G1096 PolarHBondContact O-N 3.02Å; W1093-G1096 VanDerWaalsContact O-N 3.09Å; W1093-L1097 HydrophobicContact CD2-CD1 4.07Å; W1093-L1097 HydrophobicContact CE3-CD1 3.72Å; W1093-L1097 HydrophobicContact CH2-CD1 3.52Å; W1093-L1097 HydrophobicContact CZ2-CD1 3.84Å; W1093-L1097 HydrophobicContact CZ3-CD1 3.44Å; W1093-L1097 VanDerWaalsContact CZ3-CD1 3.44Å; W1093-L1097 PolarHBondContact O-N 3.05Å
1094	F	45.7	Very low	50.9	Low	126 Å²	126	109 Å²	109	55%	0.553	52%	0.515	S	S	*	.	H	α-helix	trans	-60.4	-39.5	172	-86.6	-69.5	0	0	0	112.6	Q1090 G1096 N1098	Q1090-F1094 WeakPolarHBondContact O-CD2 3.44Å; Q1090-F1094 PolarHBondContact O-N 3.26Å; F1094-G1096 VanDerWaalsContact C-N 3.34Å; F1094-N1098 WeakPolarHBondContact O-CB 3.3Å; F1094-N1098 PolarHBondContact O-N 2.94Å; F1094-N1098 PolarHBondContact O-ND2 3.29Å
1095	R	49.6	Very low	51.9	Low	181 Å²	181	112.3 Å²	112.3	68%	0.683	53%	0.527	S	S	*	.	H	α-helix	trans	-67.8	-34.7	173.6	-70	174.9	84.7	159.8	5.4	111.7	I1091 L1092 W1093 R1099	I1091-R1095 WeakPolarHBondContact O-CB 3.1Å; I1091-R1095 VanDerWaalsContact O-CG 3.26Å; I1091-R1095 WeakPolarHBondContact O-CG 3.43Å; I1091-R1095 PolarHBondContact O-N 3.43Å; L1092-R1095 PolarHBondContact O-N 2.78Å; W1093-R1095 VanDerWaalsContact C-N 3.33Å; W1093-R1095 PolarHBondContact O-N 3.41Å; R1095-R1099 WeakPolarHBondContact O-CB 3.44Å; R1095-R1099 PolarHBondContact O-N 2.89Å
1096	G	55.6	Low	53.1	Low	31 Å²	31	111.7 Å²	111.7	32%	0.32	53%	0.53	S	S	.	.	H	α-helix	trans	-62.2	-52.1	172	0	0	0	0	0	112.6	L1092 W1093 F1094 N1098 R1099 I1100	L1092-G1096 PolarHBondContact O-N 3.26Å; W1093-G1096 CarbonylContact O-C 3.58Å; W1093-G1096 WeakPolarHBondContact O-CA 3.48Å; W1093-G1096 PolarHBondContact O-N 3.02Å; W1093-G1096 VanDerWaalsContact O-N 3.09Å; F1094-G1096 VanDerWaalsContact C-N 3.34Å; G1096-N1098 PolarHBondContact O-N 2.85Å; G1096-R1099 CarbonylContact O-C 3.5Å; G1096-R1099 WeakPolarHBondContact O-CA 3.47Å; G1096-R1099 WeakPolarHBondContact O-CB 3.4Å; G1096-R1099 PolarHBondContact O-N 2.78Å; G1096-R1099 VanDerWaalsContact O-N 3.08Å; G1096-I1100 WeakPolarHBondContact O-CG1 3.39Å; G1096-I1100 PolarHBondContact O-N 3.33Å
1097	L	53	Low	54.5	Low	70 Å²	70	111.1 Å²	111.1	37%	0.366	53%	0.531	S	S	.	.	H	α-helix	trans	-60.2	-42.2	176.3	-81.7	176	0	0	0	112.8	W1093 R1099 I1100 Q1101	W1093-L1097 HydrophobicContact CD2-CD1 4.07Å; W1093-L1097 HydrophobicContact CE3-CD1 3.72Å; W1093-L1097 HydrophobicContact CH2-CD1 3.52Å; W1093-L1097 HydrophobicContact CZ2-CD1 3.84Å; W1093-L1097 HydrophobicContact CZ3-CD1 3.44Å; W1093-L1097 VanDerWaalsContact CZ3-CD1 3.44Å; W1093-L1097 PolarHBondContact O-N 3.05Å; L1097-R1099 VanDerWaalsContact C-N 3.28Å; L1097-R1099 PolarHBondContact O-N 3.35Å; L1097-I1100 PolarHBondContact O-N 2.93Å; L1097-Q1101 PolarHBondContact O-N 3Å
1098	N	53.9	Low	55.6	Low	95 Å²	95	111.4 Å²	111.4	51%	0.508	54%	0.536	S	S	.	.	H	α-helix	trans	-64.6	-32.8	174.8	-76.4	-31.6	0	0	0	112.4	F1094 G1096 T1102	F1094-N1098 WeakPolarHBondContact O-CB 3.3Å; F1094-N1098 PolarHBondContact O-N 2.94Å; F1094-N1098 PolarHBondContact O-ND2 3.29Å; G1096-N1098 PolarHBondContact O-N 2.85Å; N1098-T1102 PolarHBondContact O-N 3.27Å; N1098-T1102 PolarHBondContact O-OG1 3.47Å
1099	R	56.2	Low	56.9	Low	177 Å²	177	106.5 Å²	106.5	67%	0.668	53%	0.53	S	S	*	.	H	α-helix	trans	-70.1	-40	173.5	-160.2	174.7	-168.6	179.1	2.4	111.8	R1095 G1096 L1097 T1102 Q1103	R1095-R1099 WeakPolarHBondContact O-CB 3.44Å; R1095-R1099 PolarHBondContact O-N 2.89Å; G1096-R1099 CarbonylContact O-C 3.5Å; G1096-R1099 WeakPolarHBondContact O-CA 3.47Å; G1096-R1099 WeakPolarHBondContact O-CB 3.4Å; G1096-R1099 PolarHBondContact O-N 2.78Å; G1096-R1099 VanDerWaalsContact O-N 3.08Å; L1097-R1099 VanDerWaalsContact C-N 3.28Å; L1097-R1099 PolarHBondContact O-N 3.35Å; R1099-T1102 WeakPolarHBondContact CA-OG1 3.25Å; R1099-T1102 PolarHBondContact O-N 3.06Å; R1099-T1102 PolarHBondContact O-OG1 2.98Å; R1099-Q1103 WeakPolarHBondContact O-CB 3.27Å; R1099-Q1103 WeakPolarHBondContact O-CG 3.45Å; R1099-Q1103 PolarHBondContact O-N 3.49Å
1100	I	61.5	Low	57.9	Low	85 Å²	85	111.7 Å²	111.7	44%	0.436	54%	0.541	S	S	.	.	H	α-helix	trans	-65.8	-42.5	173.6	-68.3	166.3	0	0	0	110.6	G1096 L1097 T1102 Q1103 I1104	G1096-I1100 WeakPolarHBondContact O-CG1 3.39Å; G1096-I1100 PolarHBondContact O-N 3.33Å; L1097-I1100 PolarHBondContact O-N 2.93Å; I1100-T1102 VanDerWaalsContact C-N 3.33Å; I1100-T1102 PolarHBondContact O-N 3.03Å; I1100-Q1103 PolarHBondContact O-N 3.07Å; I1100-I1104 HydrophobicContact CG2-CD1 3.71Å; I1100-I1104 HydrophobicContact CG2-CG1 4.34Å; I1100-I1104 WeakPolarHBondContact O-CB 3.34Å; I1100-I1104 VanDerWaalsContact O-CG1 3.3Å; I1100-I1104 WeakPolarHBondContact O-CG1 3.38Å; I1100-I1104 PolarHBondContact O-N 2.94Å
1101	Q	59.1	Low	58.6	Low	120 Å²	120	112.1 Å²	112.1	56%	0.561	54%	0.543	S	S	*	.	H	α-helix	trans	-61.2	-38.7	173.6	-79.1	-163.3	4.9	0	0	112.9	L1097 K1105	L1097-Q1101 PolarHBondContact O-N 3Å; Q1101-K1105 WeakPolarHBondContact O-CG 3.4Å; Q1101-K1105 PolarHBondContact O-N 3.02Å
1102	T	61.9	Low	59.1	Low	80 Å²	80	110.5 Å²	110.5	49%	0.491	54%	0.54	S	S	.	.	H	α-helix	trans	-71	-39.6	175.6	31.6	0	0	0	0	111.9	N1098 R1099 I1100 K1105 V1106	N1098-T1102 PolarHBondContact O-N 3.27Å; N1098-T1102 PolarHBondContact O-OG1 3.47Å; R1099-T1102 WeakPolarHBondContact CA-OG1 3.25Å; R1099-T1102 PolarHBondContact O-N 3.06Å; R1099-T1102 PolarHBondContact O-OG1 2.98Å; I1100-T1102 VanDerWaalsContact C-N 3.33Å; I1100-T1102 PolarHBondContact O-N 3.03Å; T1102-K1105 WeakPolarHBondContact O-CB 3.43Å; T1102-K1105 PolarHBondContact O-N 3.23Å; T1102-V1106 WeakPolarHBondContact O-CG2 3.48Å; T1102-V1106 PolarHBondContact O-N 3.27Å
1103	Q	65.5	Low	59.3	Low	112 Å²	112	108 Å²	108	52%	0.523	53%	0.532	S	S	.	.	H	α-helix	trans	-61.6	-44.6	172.2	-74.2	171.7	-42.8	0	0	112.1	R1099 I1100 K1105 V1106 V1107	R1099-Q1103 WeakPolarHBondContact O-CB 3.27Å; R1099-Q1103 WeakPolarHBondContact O-CG 3.45Å; R1099-Q1103 PolarHBondContact O-N 3.49Å; I1100-Q1103 PolarHBondContact O-N 3.07Å; Q1103-K1105 VanDerWaalsContact C-N 3.31Å; Q1103-K1105 PolarHBondContact O-N 2.85Å; Q1103-V1106 PolarHBondContact O-N 3.16Å; Q1103-V1106 VanDerWaalsContact O-N 3.16Å; Q1103-V1107 WeakPolarHBondContact O-CG2 3.49Å; Q1103-V1107 PolarHBondContact O-N 3.4Å
1104	I	67.1	Low	59.3	Low	92 Å²	92	105.6 Å²	105.6	47%	0.472	53%	0.531	S	S	.	.	H	α-helix	trans	-63.3	-35.7	175.5	-69.5	169.4	0	0	0	111.5	I1100 K1108	I1100-I1104 HydrophobicContact CG2-CD1 3.71Å; I1100-I1104 HydrophobicContact CG2-CG1 4.34Å; I1100-I1104 WeakPolarHBondContact O-CB 3.34Å; I1100-I1104 VanDerWaalsContact O-CG1 3.3Å; I1100-I1104 WeakPolarHBondContact O-CG1 3.38Å; I1100-I1104 PolarHBondContact O-N 2.94Å; I1104-K1108 HydrophobicContact CG2-CD 4.49Å; I1104-K1108 WeakPolarHBondContact O-CB 3.32Å; I1104-K1108 WeakPolarHBondContact O-CG 3.48Å; I1104-K1108 PolarHBondContact O-N 3.25Å
1105	K	63.5	Low	59.4	Low	152 Å²	152	104.7 Å²	104.7	66%	0.661	53%	0.528	S	S	*	.	H	α-helix	trans	-64.4	-44.2	171.4	-83.1	-179.9	174.1	178.1	0	112.4	Q1101 T1102 Q1103 K1108 A1109	Q1101-K1105 WeakPolarHBondContact O-CG 3.4Å; Q1101-K1105 PolarHBondContact O-N 3.02Å; T1102-K1105 WeakPolarHBondContact O-CB 3.43Å; T1102-K1105 PolarHBondContact O-N 3.23Å; Q1103-K1105 VanDerWaalsContact C-N 3.31Å; Q1103-K1105 PolarHBondContact O-N 2.85Å; K1105-K1108 PolarHBondContact O-N 3.22Å; K1105-A1109 WeakPolarHBondContact O-CB 3.4Å; K1105-A1109 PolarHBondContact O-N 3.36Å
1106	V	71.6	Confident	59.3	Low	88 Å²	88	103.7 Å²	103.7	53%	0.533	53%	0.531	S	S	.	.	H	α-helix	trans	-64.4	-44.4	177.5	171.2	0	0	0	0	111.1	T1102 Q1103 K1108 A1109 F1110	T1102-V1106 WeakPolarHBondContact O-CG2 3.48Å; T1102-V1106 PolarHBondContact O-N 3.27Å; Q1103-V1106 PolarHBondContact O-N 3.16Å; Q1103-V1106 VanDerWaalsContact O-N 3.16Å; V1106-K1108 PolarHBondContact O-N 2.93Å; V1106-A1109 PolarHBondContact O-N 2.95Å; V1106-F1110 HydrophobicContact CG1-CD2 4.43Å; V1106-F1110 PolarHBondContact O-N 3.49Å
1107	V	71.3	Confident	58.7	Low	95 Å²	95	107.8 Å²	107.8	58%	0.576	55%	0.55	S	S	*	*	H	α-helix	trans	-61.7	-42.7	175.2	171.7	0	0	0	0	111	Q1103 A1109 F1110 H1111	Q1103-V1107 WeakPolarHBondContact O-CG2 3.49Å; Q1103-V1107 PolarHBondContact O-N 3.4Å; V1107-A1109 PolarHBondContact O-N 2.88Å; V1107-F1110 PolarHBondContact O-N 3.37Å; V1107-H1111 WeakPolarHBondContact O-CB 3.5Å; V1107-H1111 PolarHBondContact O-N 3.48Å
1108	K	67	Low	58.3	Low	151 Å²	151	110.3 Å²	110.3	66%	0.657	56%	0.563	S	S	*	*	H	α-helix	trans	-64.1	-37.1	174.8	-79.2	-173.1	173.3	-172.5	0	113.1	I1104 K1105 V1106 H1111 S1112	I1104-K1108 HydrophobicContact CG2-CD 4.49Å; I1104-K1108 WeakPolarHBondContact O-CB 3.32Å; I1104-K1108 WeakPolarHBondContact O-CG 3.48Å; I1104-K1108 PolarHBondContact O-N 3.25Å; K1105-K1108 PolarHBondContact O-N 3.22Å; V1106-K1108 PolarHBondContact O-N 2.93Å; K1108-H1111 PolarHBondContact O-N 3.35Å; K1108-S1112 PolarHBondContact O-N 3.28Å; K1108-S1112 PolarHBondContact O-OG 3.48Å
1109	A	68.4	Low	57.6	Low	57 Å²	57	113 Å²	113	47%	0.471	57%	0.572	S	S	.	*	H	α-helix	trans	-67.3	-39.7	175.8	0	0	0	0	0	112.5	K1105 V1106 V1107 S1112 S1113	K1105-A1109 WeakPolarHBondContact O-CB 3.4Å; K1105-A1109 PolarHBondContact O-N 3.36Å; V1106-A1109 PolarHBondContact O-N 2.95Å; V1107-A1109 PolarHBondContact O-N 2.88Å; A1109-S1112 WeakPolarHBondContact CA-OG 3.44Å; A1109-S1112 PolarHBondContact O-OG 3.15Å; A1109-S1113 WeakPolarHBondContact O-CB 3.5Å; A1109-S1113 PolarHBondContact O-N 3.32Å; A1109-S1113 VanDerWaalsContact O-N 3.12Å
1110	F	65.2	Low	56.4	Low	149 Å²	149	114.1 Å²	114.1	65%	0.654	58%	0.582	S	S	*	*	H	α-helix	trans	-63.6	-43.3	170.8	-105.4	-89.4	0	0	0	111.7	V1106 V1107 S1112 S1113 L1114	V1106-F1110 HydrophobicContact CG1-CD2 4.43Å; V1106-F1110 PolarHBondContact O-N 3.49Å; V1107-F1110 PolarHBondContact O-N 3.37Å; F1110-S1112 PolarHBondContact O-N 2.92Å; F1110-S1113 PolarHBondContact O-N 3.18Å; F1110-L1114 PolarHBondContact O-N 2.94Å
1111	H	56.5	Low	55.2	Low	117 Å²	117	116 Å²	116	54%	0.542	60%	0.6	S	S	.	*	H	α-helix	trans	-70.3	-29.3	-178.4	-158.6	-58.7	0	0	0	113.2	V1107 K1108 H1115	V1107-H1111 WeakPolarHBondContact O-CB 3.5Å; V1107-H1111 PolarHBondContact O-N 3.48Å; K1108-H1111 PolarHBondContact O-N 3.35Å; H1111-H1115 AromaticContact CE1-CD2 3.49Å; H1111-H1115 PolarHBondContact CE1-CD2 2.92Å; H1111-H1115 VanDerWaalsContact CE1-CD2 3.49Å; H1111-H1115 AromaticContact CE1-NE2 3.6Å; H1111-H1115 AromaticContact ND1-CD2 3.52Å; H1111-H1115 PolarHBondContact O-N 3.12Å
1112	S	55.3	Low	53.8	Low	63 Å²	63	121.3 Å²	121.3	44%	0.441	62%	0.617	S	S	.	*	H	α-helix	trans	-71.1	-44	169.3	52.8	0	0	0	0	111.6	K1108 A1109 F1110 L1114 H1115 E1116	K1108-S1112 PolarHBondContact O-N 3.28Å; K1108-S1112 PolarHBondContact O-OG 3.48Å; A1109-S1112 WeakPolarHBondContact CA-OG 3.44Å; A1109-S1112 PolarHBondContact O-OG 3.15Å; F1110-S1112 PolarHBondContact O-N 2.92Å; S1112-L1114 VanDerWaalsContact C-N 3.33Å; S1112-L1114 PolarHBondContact O-N 2.8Å; S1112-H1115 PolarHBondContact O-N 2.98Å; S1112-H1115 VanDerWaalsContact O-N 3.15Å; S1112-E1116 PolarHBondContact O-N 3.48Å
1113	S	50.4	Low	52.3	Low	65 Å²	65	122.5 Å²	122.5	46%	0.455	63%	0.628	S	S	.	*	H	α-helix	trans	-60.6	-40	177	177.1	0	0	0	0	112.4	A1109 F1110 T1117	A1109-S1113 WeakPolarHBondContact O-CB 3.5Å; A1109-S1113 PolarHBondContact O-N 3.32Å; A1109-S1113 VanDerWaalsContact O-N 3.12Å; F1110-S1113 PolarHBondContact O-N 3.18Å; S1113-T1117 PolarHBondContact O-N 3.38Å; S1113-T1117 PolarHBondContact O-OG1 3.4Å
1114	L	46.8	Very low	50.6	Low	111 Å²	111	125 Å²	125	58%	0.581	64%	0.639	S	S	*	*	H	α-helix	trans	-63.1	-41.6	174.3	-128.7	77.9	0	0	0	112.3	F1110 S1112 T1117 I1118	F1110-L1114 PolarHBondContact O-N 2.94Å; S1112-L1114 VanDerWaalsContact C-N 3.33Å; S1112-L1114 PolarHBondContact O-N 2.8Å; L1114-T1117 PolarHBondContact O-N 3.31Å; L1114-I1118 WeakPolarHBondContact O-CD1 3.46Å; L1114-I1118 WeakPolarHBondContact O-CG1 3.42Å
1115	H	47.3	Very low	48.8	Very low	108 Å²	108	128.1 Å²	128.1	50%	0.5	65%	0.652	S	S	.	*	H	α-helix	trans	-71.5	-37.7	-179.7	-100.7	-87.8	0	0	0	113.7	H1111 S1112 T1117 I1118	H1111-H1115 AromaticContact CE1-CD2 3.49Å; H1111-H1115 PolarHBondContact CE1-CD2 2.92Å; H1111-H1115 VanDerWaalsContact CE1-CD2 3.49Å; H1111-H1115 AromaticContact CE1-NE2 3.6Å; H1111-H1115 AromaticContact ND1-CD2 3.52Å; H1111-H1115 PolarHBondContact O-N 3.12Å; S1112-H1115 PolarHBondContact O-N 2.98Å; S1112-H1115 VanDerWaalsContact O-N 3.15Å; H1115-T1117 PolarHBondContact O-N 3.17Å; H1115-I1118 PolarHBondContact O-N 3.32Å; H1115-I1118 VanDerWaalsContact O-N 3.17Å
1116	E	47.5	Very low	47.3	Very low	160 Å²	160	125.3 Å²	125.3	75%	0.748	65%	0.651	S	S	*	*	H	α-helix	trans	-63	-29.1	174.5	-72.5	-173.9	124.5	0	0	112	S1112 I1118	S1112-E1116 PolarHBondContact O-N 3.48Å; E1116-I1118 VanDerWaalsContact C-N 3.3Å; E1116-I1118 PolarHBondContact O-N 3.44Å
1117	T	42.9	Very low	45.4	Very low	116 Å²	116	127.7 Å²	127.7	71%	0.712	66%	0.659	S	S	*	*	H	α-helix	trans	-73.1	-19.5	177.7	-51.4	0	0	0	0	113	S1113 L1114 H1115	S1113-T1117 PolarHBondContact O-N 3.38Å; S1113-T1117 PolarHBondContact O-OG1 3.4Å; L1114-T1117 PolarHBondContact O-N 3.31Å; H1115-T1117 PolarHBondContact O-N 3.17Å
1118	I	45.5	Very low	43.6	Very low	124 Å²	124	130.9 Å²	130.9	64%	0.636	67%	0.668	S	S	*	*	H	α-helix	trans	-97.3	-12.7	-172.7	-67.9	169.1	0	0	0	112.9	L1114 H1115 E1116	L1114-I1118 WeakPolarHBondContact O-CD1 3.46Å; L1114-I1118 WeakPolarHBondContact O-CG1 3.42Å; H1115-I1118 PolarHBondContact O-N 3.32Å; H1115-I1118 VanDerWaalsContact O-N 3.17Å; E1116-I1118 VanDerWaalsContact C-N 3.3Å; E1116-I1118 PolarHBondContact O-N 3.44Å
1119	Q	38.4	Very low	41.6	Very low	150 Å²	150	129.4 Å²	129.4	70%	0.701	67%	0.667	S	S	*	*	S	Bend	trans	-127.7	86.7	-177.1	-73	-167.5	-20.6	0	0	115
1120	K	32.6	Very low	39.7	Very low	202 Å²	202	136.8 Å²	136.8	88%	0.878	69%	0.689	S	S	*	*			trans	-172.5	137.4	135.3	-103.1	148.8	-170.1	170.5	0	113.5
1121	P	35.5	Very low	38.1	Very low	125 Å²	125	137.2 Å²	137.2	81%	0.812	70%	0.695	S	S	*	*			trans	-85.1	169.8	167.5	35.5	-34.4	0	0	0	112.9
1122	Y	30.4	Very low	36.8	Very low	231 Å²	231	137.4 Å²	137.4	91%	0.906	70%	0.704	S	S	*	*			trans	-64	145.6	179.3	-80.5	-110.2	0	0	0	114.5
1123	S	28.8	Very low	35.4	Very low	104 Å²	104	142.7 Å²	142.7	73%	0.727	72%	0.722	S	S	*	*				178.1	113.9	109	62.5	0	0	0	0	115.9
1124	Q	31	Very low	35	Very low	164 Å²	164	144 Å²	144	77%	0.766	73%	0.729	S	S	*	*			trans	57.1	136.8	135.2	-82.8	179.3	-15.1	0	0	125.4
1125	H	28.9	Very low	34	Very low	159 Å²	159	146.1 Å²	146.1	74%	0.736	74%	0.736	S	S	*	*			trans	64.5	148	152.6	-63.7	-50.9	0	0	0	118.6
1126	S	32	Very low	33.1	Very low	93 Å²	93	148.8 Å²	148.8	65%	0.65	75%	0.746	S	S	*	*			cis	-176.5	166.6	-11	-94.5	0	0	0	0	106.8
1127	I	32	Very low	32	Very low	137 Å²	137	146.1 Å²	146.1	70%	0.703	75%	0.752	S	S	*	*			cis	-157.5	144.8	2.8	-132.9	168.6	0	0	0	109.8
1128	H	33.1	Very low	31.5	Very low	163 Å²	163	146.6 Å²	146.6	76%	0.755	75%	0.748	S	S	*	*			trans	54.3	156.9	168.6	-74.5	-83.6	0	0	0	118.7
1129	N	26.2	Very low	30.5	Very low	120 Å²	120	148.4 Å²	148.4	64%	0.642	76%	0.759	S	S	*	*			cis	-150.8	131.1	3.8	-142.9	9.2	0	0	0	111
1130	F	28.3	Very low	30.1	Very low	212 Å²	212	149.8 Å²	149.8	93%	0.93	77%	0.766	S	S	*	*			trans	-165	121.6	141.9	-117.4	-73.6	0	0	0	111
1131	M	29.7	Very low	29.8	Very low	157 Å²	157	149.4 Å²	149.4	77%	0.773	77%	0.767	S	S	*	*			trans	-77.1	161.8	169.9	-67.9	174.5	155	0	0	110.3
1132	T	30.9	Very low	29.4	Very low	121 Å²	121	151.2 Å²	151.2	74%	0.742	77%	0.769	S	S	*	*			cis	-136.7	125.8	7.4	41	0	0	0	0	112.4
1133	H	25.9	Very low	30	Very low	174 Å²	174	145 Å²	145	81%	0.806	76%	0.757	S	S	*	*				31.8	152.5	124.8	-76	-65	0	0	0	124.7
1134	P	41.7	Very low	29.7	Very low	92 Å²	92	150.6 Å²	150.6	60%	0.597	76%	0.762	S	S	*	*			trans	-149.7	-150	-130.1	41.4	-15.5	0	0	0	114.5
1135	E	25.1	Very low	29.7	Very low	157 Å²	157	148.4 Å²	148.4	73%	0.734	76%	0.76	S	S	*	*			trans	74.9	143.5	143.9	-80.4	176.3	148.4	0	0	123.3
1136	F	29	Very low	29.9	Very low	164 Å²	164	146.4 Å²	146.4	72%	0.719	76%	0.761	S	S	*	*			trans	10.8	139.3	159.6	-66.5	-79.4	0	0	0	122.8	I1138	F1136-I1138 HydrophobicContact CD1-CD1 4.34Å; F1136-I1138 HydrophobicContact CD1-CG1 3.93Å
1137	A	23.2	Very low	29.6	Very low	104 Å²	104	149.1 Å²	149.1	86%	0.86	77%	0.768	S	S	*	*				-113.6	127.9	122.7	0	0	0	0	0	109
1138	I	33.1	Very low	29.4	Very low	125 Å²	125	148.7 Å²	148.7	64%	0.641	77%	0.766	S	S	*	*			trans	-96	155.9	155.8	-64.1	164.7	0	0	0	105.1	F1136	F1136-I1138 HydrophobicContact CD1-CD1 4.34Å; F1136-I1138 HydrophobicContact CD1-CG1 3.93Å
1139	D	25.5	Very low	29	Very low	162 Å²	162	147.1 Å²	147.1	87%	0.866	76%	0.763	S	S	*	*			trans	-167.7	143.1	138.3	-94.2	-25.3	0	0	0	111.7
1140	E	28.8	Very low	29.1	Very low	179 Å²	179	149.4 Å²	149.4	84%	0.836	77%	0.77	S	S	*	*			trans	-97.5	-170.6	159.7	-70.3	-171	102.8	0	0	109.1
1141	E	25.9	Very low	29	Very low	194 Å²	194	147.2 Å²	147.2	91%	0.907	76%	0.763	S	S	*	*			trans	79.6	124.5	168.5	-53.7	-149.2	120.5	0	0	119.7
1142	L	26.9	Very low	28.9	Very low	163 Å²	163	148.3 Å²	148.3	85%	0.853	77%	0.766	S	S	*	*			trans	-67	-179.9	152	-107.7	78.7	0	0	0	110.1
1143	P	44	Very low	28.6	Very low	100 Å²	100	151.5 Å²	151.5	65%	0.649	77%	0.772	S	S	*	*			cis	-147.3	-167.3	21.6	25.5	3.5	0	0	0	116.7
1144	R	23.4	Very low	28.6	Very low	222 Å²	222	151.2 Å²	151.2	84%	0.838	77%	0.772	S	S	*	*			trans	100.2	97.2	147.5	-58.3	-167.9	174.7	157.7	1	121.4
1145	T	29.3	Very low	27.9	Very low	119 Å²	119	152.8 Å²	152.8	73%	0.73	78%	0.775	S	S	*	*				23.1	134.5	115.9	58.1	0	0	0	0	120.4
1146	P	34.5	Very low	28.6	Very low	117 Å²	117	150.3 Å²	150.3	76%	0.76	77%	0.772	S	S	*	*				-105.6	157.3	98.7	-10.9	29.7	0	0	0	111.8
1147	L	24.9	Very low	28.7	Very low	150 Å²	150	148.2 Å²	148.2	79%	0.785	77%	0.769	S	S	*	*				64.7	127.9	57.8	-62	172.9	0	0	0	112.4
1148	L	28.6	Very low	29	Very low	128 Å²	128	151.4 Å²	151.4	67%	0.67	76%	0.763	S	S	*	*			cis	-154.4	158.2	8.1	-96.9	149.1	0	0	0	110.8
1149	D	24.8	Very low	28.9	Very low	129 Å²	129	149.5 Å²	149.5	69%	0.69	77%	0.766	S	S	*	*			trans	54.9	157.8	152.4	-46.7	-26.9	0	0	0	119.5
1150	E	28.2	Very low	29	Very low	169 Å²	169	146.8 Å²	146.8	79%	0.79	76%	0.76	S	S	*	*			cis	-150.9	170	10.6	-145.3	156.9	-138.3	0	0	110.9
1151	E	26.2	Very low	29	Very low	166 Å²	166	146.8 Å²	146.8	78%	0.776	76%	0.757	S	S	*	*			trans	-6.9	136.3	173.3	-68.2	170.8	175.4	0	0	122
1152	E	26	Very low	29.2	Very low	180 Å²	180	147.2 Å²	147.2	84%	0.841	76%	0.756	S	S	*	*				51.6	136.4	102	-54.7	-165.9	158.7	0	0	116.2
1153	E	25.7	Very low	29.3	Very low	187 Å²	187	142.7 Å²	142.7	87%	0.874	75%	0.749	S	S	*	*			cis	-88.9	-165.6	-1.1	-65.8	-166.3	83	0	0	111.3
1154	E	25.7	Very low	28.9	Very low	169 Å²	169	145.3 Å²	145.3	79%	0.79	76%	0.763	S	S	*	*			cis	-146.1	178.1	9.2	-155	-153.1	177.3	0	0	110.6
1155	N	27.8	Very low	29.2	Very low	125 Å²	125	138 Å²	138	67%	0.668	76%	0.756	S	S	*	*			trans	-166.1	172.6	-178.4	-116.8	-48	0	0	0	107.9
1156	P	39.3	Very low	29.3	Very low	104 Å²	104	138.6 Å²	138.6	68%	0.675	76%	0.76	S	S	*	*			cis	-135.3	137.1	-9.7	34.9	-15.6	0	0	0	115.5
1157	D	31.1	Very low	29.3	Very low	120 Å²	120	140.2 Å²	140.2	64%	0.642	76%	0.761	S	S	*	*			trans	-39.3	140.5	139.4	163.3	56	0	0	0	113.9
1158	K	30	Very low	29.6	Very low	172 Å²	172	139.6 Å²	139.6	75%	0.748	76%	0.758	S	S	*	*				-173.3	137.9	125.9	-103	136.4	-149	146.7	0	118.1
1159	A	30.6	Very low	29.9	Very low	85 Å²	85	140.1 Å²	140.1	70%	0.702	76%	0.761	S	S	*	*			trans	-72.6	172.6	161.5	0	0	0	0	0	113.2
1160	S	26.7	Very low	30.2	Very low	104 Å²	104	141.4 Å²	141.4	73%	0.727	77%	0.768	S	S	*	*				-177.9	147.3	113.9	55.1	0	0	0	0	116.5
1161	K	30.2	Very low	30.2	Very low	179 Å²	179	136.7 Å²	136.7	78%	0.778	77%	0.765	S	S	*	*			trans	60.2	134	135.2	-76.8	177.2	175.8	175.5	0	123.4
1162	F	29.1	Very low	30.4	Very low	204 Å²	204	137.3 Å²	137.3	90%	0.895	77%	0.767	S	S	*	*			trans	68.6	145.1	142.5	-91.3	-101.5	0	0	0	120.5
1163	G	29.3	Very low	30.6	Very low	67 Å²	67	133.5 Å²	133.5	69%	0.691	76%	0.756	S	S	*	*			trans	108.4	83.9	147.7	0	0	0	0	0	118.1
1164	T	34.7	Very low	30.9	Very low	155 Å²	155	130.4 Å²	130.4	95%	0.951	75%	0.75	S	S	*	*			trans	13.4	115.8	144.4	-33.6	0	0	0	0	119.9
1165	G	30.2	Very low	32.3	Very low	68 Å²	68	127.1 Å²	127.1	70%	0.701	74%	0.744	S	S	*	*			trans	150.2	98.5	148.4	0	0	0	0	0	121.1
1166	V	32.3	Very low	32.6	Very low	133 Å²	133	131.8 Å²	131.8	81%	0.806	75%	0.754	S	S	*	*			trans	62.2	106.1	131.9	-178	0	0	0	0	121.7
1167	L	34.4	Very low	32.4	Very low	151 Å²	151	130.3 Å²	130.3	79%	0.791	75%	0.75	S	S	*	*			trans	72.4	133.4	136.9	-71.2	176.9	0	0	0	125.8
1168	L	30.5	Very low	32.4	Very low	136 Å²	136	131.5 Å²	131.5	71%	0.712	76%	0.756	S	S	*	*			trans	88.1	112.2	138.9	-70.6	163.3	0	0	0	124.3
1169	L	34.4	Very low	32.3	Very low	139 Å²	139	128.6 Å²	128.6	73%	0.728	75%	0.753	S	S	*	*				56.9	142.7	129.9	-102.5	69.8	0	0	0	126.3
1170	D	32.8	Very low	32.2	Very low	157 Å²	157	130.7 Å²	130.7	84%	0.84	75%	0.752	S	S	*	*			trans	78.1	145.9	146.4	-62.7	-14.5	0	0	0	125.3
1171	G	26.2	Very low	32.4	Very low	70 Å²	70	131.3 Å²	131.3	72%	0.722	75%	0.747	S	S	*	*			trans	130.2	157.5	175.5	0	0	0	0	0	114.5
1172	E	31.3	Very low	32.6	Very low	178 Å²	178	129.5 Å²	129.5	83%	0.832	75%	0.746	S	S	*	*			cis	146.5	138.2	-33.8	-84.2	-114.3	103.4	0	0	111.5
1173	V	30.1	Very low	32.6	Very low	100 Å²	100	124 Å²	124	61%	0.606	74%	0.738	S	S	*	*			cis	-165.2	135.8	-22.6	90.2	0	0	0	0	113.5
1174	T	31.8	Very low	32.6	Very low	123 Å²	123	126.8 Å²	126.8	76%	0.755	74%	0.742	S	S	*	*			trans	61.5	-179.7	161.5	74.3	0	0	0	0	119.5
1175	P	55.4	Low	32.2	Very low	100 Å²	100	126.4 Å²	126.4	65%	0.649	73%	0.734	S	S	*	*			cis	-124.1	-151.9	-7.6	45.6	-29.9	0	0	0	112.4
1176	Y	34.3	Very low	32	Very low	223 Å²	223	127.9 Å²	127.9	88%	0.875	73%	0.732	S	S	*	*			cis	-161	171.4	2.2	-110.7	-27.3	0	0	0	106.4
1177	A	34.1	Very low	31.6	Very low	72 Å²	72	127.7 Å²	127.7	60%	0.595	73%	0.727	S	S	*	*			cis	-167.6	150	-17	0	0	0	0	0	110.7
1178	N	32.1	Very low	31.2	Very low	146 Å²	146	128.9 Å²	128.9	78%	0.781	73%	0.729	S	S	*	*			trans	62.3	150.3	156.5	-73.5	-6.1	0	0	0	121
1179	T	28.5	Very low	30.9	Very low	111 Å²	111	127.2 Å²	127.2	68%	0.681	73%	0.734	S	S	*	*			cis	-146.1	132.4	18.3	-26.8	0	0	0	0	113.3
1180	N	28.6	Very low	30.5	Very low	128 Å²	128	128.8 Å²	128.8	68%	0.684	74%	0.738	S	S	*	*			trans	45.5	145.8	150.4	-63.2	-0.3	0	0	0	121.7
1181	N	30.8	Very low	30.3	Very low	117 Å²	117	127.8 Å²	127.8	63%	0.626	73%	0.732	S	S	*	*			cis	-179.7	173.2	-7.3	-97.5	-9.8	0	0	0	106
1182	N	32.8	Very low	31.3	Very low	141 Å²	141	130 Å²	130	75%	0.754	73%	0.733	S	S	*	*			cis	-174.5	158	-30.6	-95.4	-0.2	0	0	0	106.1
1183	A	30.3	Very low	31	Very low	88 Å²	88	129.8 Å²	129.8	73%	0.727	73%	0.733	S	S	*	*			cis	-162.6	-171.8	-10.9	0	0	0	0	0	108.6
1184	V	28.6	Very low	30.8	Very low	127 Å²	127	130.8 Å²	130.8	77%	0.77	74%	0.744	S	S	*	*			trans	-141	147.6	-164.2	-178	0	0	0	0	112.6
1185	D	26.2	Very low	30.5	Very low	147 Å²	147	131.8 Å²	131.8	79%	0.786	75%	0.745	S	S	*	*			trans	67.9	148.1	153.8	-83.3	-19.3	0	0	0	127.2
1186	C	25.6	Very low	29	Very low	98 Å²	98	132.1 Å²	132.1	66%	0.662	75%	0.75	S	S	*	*			trans	86.9	127	134.1	-85.9	0	0	0	0	126.7
1187	N	24.3	Very low	28.6	Very low	130 Å²	130	125.9 Å²	125.9	70%	0.695	74%	0.739	S	S	*	*			trans	80	117.3	130.6	-73.1	-27.1	0	0	0	126.2
1188	Q	26.9	Very low	28.1	Very low	176 Å²	176	129.2 Å²	129.2	82%	0.822	75%	0.746	S	S	*	*				53.7	128.5	127.2	-60.4	-172.3	1.5	0	0	124.2
1189	A	23.2	Very low	27.7	Very low	101 Å²	101	131 Å²	131	84%	0.835	75%	0.749	S	S	*	*			trans	-156.7	169.2	146.8	0	0	0	0	0	111.7
1190	Q	26	Very low	27.6	Very low	171 Å²	171	130.5 Å²	130.5	80%	0.799	75%	0.75	S	S	*	*			trans	-147.2	174.3	-169	-69.7	-169.7	5.6	0	0	112.1
1191	L	28.7	Very low	27.6	Very low	136 Å²	136	131.7 Å²	131.7	71%	0.712	76%	0.756	S	S	*	*			cis	-130.7	-117.3	3.9	-141.6	173.6	0	0	0	109.7
1192	P	47.1	Very low	27.5	Very low	116 Å²	116	134 Å²	134	75%	0.753	76%	0.763	S	S	*	*			cis	-120.2	-134.1	-11.2	43	-23.8	0	0	0	113.4
1193	Q	26.1	Very low	27.5	Very low	175 Å²	175	133 Å²	133	82%	0.818	76%	0.762	S	S	*	*			trans	-137.1	154.7	-163.9	-58.9	170.1	-89.1	0	0	115.2
1194	S	25.5	Very low	27.6	Very low	121 Å²	121	133.7 Å²	133.7	85%	0.846	76%	0.762	S	S	*	*			trans	165	162.6	135.7	41.2	0	0	0	0	111.4
1195	D	25.1	Very low	28	Very low	143 Å²	143	138.1 Å²	138.1	77%	0.765	79%	0.788	S	S	*	*			cis	-167.4	144	-47.1	-153.4	-13.6	0	0	0	108.8
1196	S	24.4	Very low	28.1	Very low	108 Å²	108	137.7 Å²	137.7	76%	0.755	79%	0.788	S	S	*	*			trans	60.5	170.3	167.4	85	0	0	0	0	118.8
1197	S	25.1	Very low	28.3	Very low	92 Å²	92	139.7 Å²	139.7	64%	0.643	80%	0.795	S	S	*	*			cis	-168.5	161.7	-37.3	57.9	0	0	0	0	113.5
1198	L	24	Very low	28.5	Very low	142 Å²	142	140.3 Å²	140.3	74%	0.743	80%	0.8	S	S	*	*			trans	65.2	139.4	145.7	-76	162.3	0	0	0	124.7
1199	Q	24.7	Very low	28.6	Very low	182 Å²	182	138.2 Å²	138.2	85%	0.85	80%	0.799	S	S	*	*			trans	66.5	150.8	154	-66.8	164.4	-11.1	0	0	117.7
1200	S	26.6	Very low	28.9	Very low	101 Å²	101	140.5 Å²	140.5	71%	0.706	80%	0.797	S	S	*	*			cis	-132.3	156	7.3	62	0	0	0	0	110.6
1201	L	27.3	Very low	29.1	Very low	154 Å²	154	138.5 Å²	138.5	81%	0.806	80%	0.797	S	S	*	*				39.2	123.8	85.9	-83	160.3	0	0	0	112.4
1202	E	30	Very low	29.1	Very low	166 Å²	166	138.6 Å²	138.6	78%	0.776	80%	0.803	S	S	*	*			cis	-153.4	174.7	36.8	-65.5	-173.7	113.3	0	0	116.1
1203	T	31.7	Very low	27.8	Very low	119 Å²	119	140.4 Å²	140.4	73%	0.73	81%	0.807	S	S	*	*			trans	46.7	103.3	151.8	52.8	0	0	0	0	123.2
1204	S	32.5	Very low	27.9	Very low	103 Å²	103	137.5 Å²	137.5	72%	0.72	81%	0.806	S	S	*	*				28.1	124.1	123.7	61.1	0	0	0	0	122.4
1205	V	38	Very low	28.1	Very low	219 Å²	219	139 Å²	139	100%	1.327	80%	0.802	S	S	*	*				-128.4	0	110.6	177.9	0	0	0	0	107.9

Retrieved 1,205 of 1,205 residues in 380.5 ms (Link to these results)

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