A0A061ADZ4_CAEEL Loading...

FAM65 N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A061ADZ4, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 898 aa.

						>A0A061ADZ4_CAEEL|A0A061ADZ4
MNNNNEFTDYDTIQRQNGRPTTTDTFSKMAPSDGMSFDSAHQKRTEGVFQSLAKGFKSCINHYQSEATRLRTEIANSKLNGDSLKDFNDELLLCDENLIIYNARLHRLNKLYESYKSGQYSQMKARSSSLSELRAAFIRSKSDVSAQKPIDAELANLMGRVVVDIKAIVGFARISPGDVFEVLIRHGSQKWKTKGKTLQDRTQKWEKEQVVLTCVPDQSIDVKVSECRLFKSKSLNDRSFDPCQLFSSQPQLVTMNLNSMGTIKLQLVVTWLPLLASKSSTKPTIAPNPPEIDGTTTIDRKPRIVLREKKRGSAARVAMKEQWRNSTNMLDSIYLDVAKTIPSVDAMSTLDLRKIPKELNTGTLPAPSSKKREYSKNFTSFANSPMASSTLMGKRSQSLAQLGATTGSPDSTREFNRKFKNSSETDTNSSASEVFGLLDLIEEIQPKAAKMYREYDELNSLVNLLAQWQTLIKMNKKASQSSKKQSIHSINSLPRNHPMTSSTASDELDDNVLITNEIHSENDSGIDSLRQNCSPYVLDGHNKHGSKGSREGARFRQLKERRKSLGALMDSAEIEKLYLESDYFWQTACHETGDSNTGTGSSEVDTCLNYHLNRILKCLESLESIETDCPLVYKTSEMLKRLEVETVTLDDLLRIAKSAPALPNISNVLTEIEACPEVQEIWLSTCYPLNSSLIVPKDKLKAQIKLQIAHITEQIYPHLVSRVAESIICLLNDAVQKDCSHVTVFHFVGIFKGRHFEPYIENMGHDAWMVTLLDTEHIQKVAQVVDRLSNVPVVPPLESLKHLGVLLARGDFRISMIVEQYLRNANGHLLSDLLSSYLCLLEDDNTDARLGALKALAIFDNPRITKQISYVADHDVSDDVRRFATSMLRGFEEEVTRI
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.5	Very low	25	Very low	235 Å²	235	155.9 Å²	155.9	100%	1.158	78%	0.781	S	S	*	*				0	110.5	0	-64	171.4	173.1	0	0	107.9
2	N	28.4	Very low	24.7	Very low	144 Å²	144	153.2 Å²	153.2	77%	0.77	78%	0.779	S	S	*	*			cis	-139.4	129.8	-12	-91.4	-4.9	0	0	0	107.8
3	N	24.2	Very low	25.1	Very low	129 Å²	129	154.6 Å²	154.6	69%	0.69	79%	0.787	S	S	*	*				39.4	112.4	126.9	-67.9	21.6	0	0	0	118.4
4	N	24.6	Very low	24.8	Very low	140 Å²	140	154.5 Å²	154.5	75%	0.749	78%	0.782	S	S	*	*				89.8	138.8	77	-79.7	25.6	0	0	0	111
5	N	24.8	Very low	25.1	Very low	115 Å²	115	160.1 Å²	160.1	62%	0.615	79%	0.79	S	S	*	*			cis	-140.4	148.7	17.8	-100.4	1.2	0	0	0	109.8
6	E	24.8	Very low	25	Very low	153 Å²	153	159.1 Å²	159.1	72%	0.715	78%	0.782	S	S	*	*				49.9	127.7	93.7	-53.4	-179	148.6	0	0	113.8
7	F	22.9	Very low	25	Very low	184 Å²	184	158.5 Å²	158.5	81%	0.807	78%	0.783	S	S	*	*				-136.1	141.9	50.4	-110.6	-110.5	0	0	0	115.1
8	T	25.5	Very low	25.1	Very low	114 Å²	114	154.3 Å²	154.3	70%	0.699	79%	0.787	S	S	*	*			trans	-74.4	150.8	154.1	44.1	0	0	0	0	110.6
9	D	21.7	Very low	25	Very low	157 Å²	157	156.6 Å²	156.6	84%	0.84	79%	0.785	S	S	*	*			trans	-145.9	133	135	-122.8	-15.1	0	0	0	111.2
10	Y	24.2	Very low	25.3	Very low	204 Å²	204	152.1 Å²	152.1	80%	0.8	77%	0.767	S	S	*	*			trans	-109.4	162.5	172.6	-107.4	-94.7	0	0	0	108.2
11	D	24.3	Very low	25.9	Very low	140 Å²	140	148 Å²	148	75%	0.749	75%	0.749	S	S	*	*			trans	62	103.6	170.3	-67	-21.4	0	0	0	118.5
12	T	22.2	Very low	26	Very low	123 Å²	123	140.6 Å²	140.6	76%	0.755	72%	0.718	S	S	*	*				-154.3	87.9	121.7	-66	0	0	0	0	109.1	Q14	T12-Q14 VanDerWaalsContact C-N 3.31Å; T12-Q14 HydrophobicContact CG2-CB 4.26Å; T12-Q14 HydrophobicContact CG2-CG 3.84Å; T12-Q14 PolarHBondContact O-N 3.23Å
13	I	28.9	Very low	26.6	Very low	172 Å²	172	136.4 Å²	136.4	88%	0.882	70%	0.697	S	S	*	*			trans	-83	83.7	162.4	-58.3	-179	0	0	0	107.7
14	Q	21.9	Very low	26.9	Very low	153 Å²	153	135.1 Å²	135.1	72%	0.715	69%	0.69	S	S	*	*			trans	-83	135.7	159	-85.3	-165.1	-1.2	0	0	109.8	T12 Q16	T12-Q14 VanDerWaalsContact C-N 3.31Å; T12-Q14 HydrophobicContact CG2-CB 4.26Å; T12-Q14 HydrophobicContact CG2-CG 3.84Å; T12-Q14 PolarHBondContact O-N 3.23Å; Q14-Q16 PolarHBondContact O-N 2.99Å
15	R	28.8	Very low	27.3	Very low	239 Å²	239	133.1 Å²	133.1	90%	0.902	68%	0.684	S	S	*	*			trans	-59.2	99.7	160.7	-71.5	179.5	172.8	-171	-3.7	108.5	N17	R15-N17 PolarHBondContact O-N 2.95Å; R15-N17 VanDerWaalsContact O-N 3.12Å
16	Q	23.6	Very low	27.9	Very low	144 Å²	144	131.2 Å²	131.2	67%	0.673	67%	0.67	S	S	*	*			trans	-77.9	94.7	165.8	-74.3	-166	7.9	0	0	109	Q14 G18	Q14-Q16 PolarHBondContact O-N 2.99Å; Q16-G18 PolarHBondContact O-N 3.04Å
17	N	24.9	Very low	28.2	Very low	149 Å²	149	128.7 Å²	128.7	80%	0.797	67%	0.669	S	S	*	*			trans	-49.2	133	148.5	-74.6	-10.1	0	0	0	107.6	R15 R19	R15-N17 PolarHBondContact O-N 2.95Å; R15-N17 VanDerWaalsContact O-N 3.12Å; N17-R19 PolarHBondContact O-N 3.36Å
18	G	27.3	Very low	28.7	Very low	82 Å²	82	128.3 Å²	128.3	85%	0.845	67%	0.667	S	S	*	*			trans	-49.1	105.2	-163.3	0	0	0	0	0	114.2	Q16	Q16-G18 PolarHBondContact O-N 3.04Å
19	R	23.2	Very low	29.4	Very low	199 Å²	199	131.9 Å²	131.9	75%	0.751	68%	0.678	S	S	*	*			trans	-74.6	129.7	164.8	-91	-173.8	173.3	-176	-0	108.3	N17 T21	N17-R19 PolarHBondContact O-N 3.36Å; R19-T21 PolarHBondContact O-N 3.48Å
20	P	29.9	Very low	30.3	Very low	66 Å²	66	128 Å²	128	43%	0.429	67%	0.669	S	S	.	*			trans	-60.7	128.7	170.7	25.5	-32.8	0	0	0	109.1	T22 L252	P20-T22 PolarHBondContact O-N 3.24Å; P20-L252 HydrophobicContact CB-CD2 3.93Å; P20-L252 HydrophobicContact CB-CG 4.49Å
21	T	37.5	Very low	31	Very low	65 Å²	65	122.4 Å²	122.4	40%	0.399	66%	0.657	S	S	.	*	B	Isolated β-bridge	trans	-73.4	91.9	173.2	39.5	0	0	0	0	108.9	R19 T23 L252	R19-T21 PolarHBondContact O-N 3.48Å; T21-T23 PolarHBondContact O-N 3.16Å; T21-L252 PolarHBondContact OG1-O 2.76Å; T21-L252 VanDerWaalsContact OG1-O 3.12Å
22	T	33.4	Very low	32.2	Very low	81 Å²	81	118.8 Å²	118.8	50%	0.497	64%	0.643	S	S	.	*			trans	-70.5	85.5	164.3	36.4	0	0	0	0	109.2	P20 D24	P20-T22 PolarHBondContact O-N 3.24Å; T22-D24 PolarHBondContact O-N 3.3Å
23	T	39.8	Very low	33.4	Very low	55 Å²	55	121.4 Å²	121.4	34%	0.337	65%	0.652	S	S	.	*			trans	-82.7	84.7	175.5	52.8	0	0	0	0	109.8	T21 F26	T21-T23 PolarHBondContact O-N 3.16Å; T23-F26 HydrophobicContact CG2-CE2 3.94Å; T23-F26 HydrophobicContact CG2-CZ 3.63Å; T23-F26 WeakPolarHBondContact OG1-CE2 3.41Å
24	D	31	Very low	34.5	Very low	102 Å²	102	117.3 Å²	117.3	55%	0.545	65%	0.652	S	S	.	*			trans	-75.4	124.2	168.3	-83.9	-51.6	0	0	0	110.3	T22 N256	T22-D24 PolarHBondContact O-N 3.3Å; D24-N256 PolarHBondContact OD1-ND2 3.31Å
25	T	33.1	Very low	36.2	Very low	99 Å²	99	114 Å²	114	61%	0.607	64%	0.638	S	S	*	*			trans	61	90.4	177.7	28.6	0	0	0	0	117.5
26	F	36.7	Very low	38	Very low	75 Å²	75	105.8 Å²	105.8	33%	0.329	62%	0.617	S	S	.	*			trans	-81.6	106	148.3	-67.3	-60.5	0	0	0	109.7	T23 S239 F240	T23-F26 HydrophobicContact CG2-CE2 3.94Å; T23-F26 HydrophobicContact CG2-CZ 3.63Å; T23-F26 WeakPolarHBondContact OG1-CE2 3.41Å; F26-S239 WeakPolarHBondContact CD2-O 3.28Å; F26-F240 HydrophobicContact CD2-CB 3.85Å; F26-F240 HydrophobicContact CE2-CB 3.78Å
27	S	31.9	Very low	40	Very low	100 Å²	100	106.8 Å²	106.8	70%	0.699	62%	0.619	S	S	*	*			trans	-69.5	129.7	170.8	-68.2	0	0	0	0	110	M29	S27-M29 PolarHBondContact O-N 3.27Å
28	K	33.8	Very low	41.8	Very low	175 Å²	175	104.1 Å²	104.1	76%	0.761	61%	0.605	S	S	*	*			trans	-62.1	107.9	167	-146.8	174.9	-168.3	174.9	0	107	A30	K28-A30 PolarHBondContact O-N 3.46Å
29	M	39.9	Very low	43.8	Very low	189 Å²	189	101.9 Å²	101.9	93%	0.931	58%	0.577	S	S	*	*			trans	-70.6	82.9	174.5	-76.5	-179.3	107.5	0	0	109	S27	S27-M29 PolarHBondContact O-N 3.27Å
30	A	39.6	Very low	46.1	Very low	77 Å²	77	94.1 Å²	94.1	64%	0.636	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-56.8	146.1	150.6	0	0	0	0	0	108	K28 S32	K28-A30 PolarHBondContact O-N 3.46Å; A30-S32 PolarHBondContact O-N 3.14Å
31	P	38.5	Very low	48.3	Very low	85 Å²	85	92.1 Å²	92.1	55%	0.552	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-55.3	129.9	172.9	24.5	-33.3	0	0	0	108.8	D33	P31-D33 PolarHBondContact O-N 2.72Å
32	S	50.9	Low	50.3	Low	65 Å²	65	93.6 Å²	93.6	46%	0.455	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-56.7	135.6	173.7	55.6	0	0	0	0	109.3	A30 G34 M35	A30-S32 PolarHBondContact O-N 3.14Å; S32-G34 PolarHBondContact O-N 3.44Å; S32-M35 PolarHBondContact O-N 3.25Å; S32-M35 WeakPolarHBondContact OG-CE 3.34Å
33	D	46.7	Very low	52.7	Low	177 Å²	177	95.3 Å²	95.3	95%	0.947	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.7	108.6	-177.6	-68.8	-45.2	0	0	0	111.4	P31	P31-D33 PolarHBondContact O-N 2.72Å
34	G	52.7	Low	54.8	Low	86 Å²	86	95.6 Å²	95.6	89%	0.887	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.3	-8	-179.8	0	0	0	0	0	117.7	S32	S32-G34 PolarHBondContact O-N 3.44Å
35	M	56.8	Low	57.5	Low	84 Å²	84	90.8 Å²	90.8	41%	0.414	51%	0.512	S	S	.	.			trans	-81.6	137	172.9	-75.7	-168.1	-165.7	0	0	112.6	S32 K43	S32-M35 PolarHBondContact O-N 3.25Å; S32-M35 WeakPolarHBondContact OG-CE 3.34Å; M35-K43 VanDerWaalsContact CE-NZ 3.29Å; M35-K43 PolarHBondContact SD-NZ 3.16Å
36	S	67.8	Low	60.1	Low	66 Å²	66	88.8 Å²	88.8	46%	0.462	50%	0.496	S	S	.	.			trans	-71.1	151.4	173.2	77.3	0	0	0	0	111.1	D38 S39 A40	S36-D38 VanDerWaalsContact C-N 3.27Å; S36-D38 PolarHBondContact O-N 3.05Å; S36-S39 PolarHBondContact N-OG 3.3Å; S36-S39 PolarHBondContact O-N 3.28Å; S36-S39 VanDerWaalsContact O-N 3.11Å; S36-S39 PolarHBondContact O-OG 2.86Å; S36-S39 PolarHBondContact OG-N 3.06Å; S36-S39 PolarHBondContact OG-OG 3.01Å; S36-A40 PolarHBondContact O-N 3.21Å; S36-A40 VanDerWaalsContact O-N 3.15Å
37	F	64.2	Low	62.6	Low	165 Å²	165	86.3 Å²	86.3	72%	0.724	49%	0.491	S	S	*	.	H	α-helix	trans	-52.5	-45.3	177.6	-179.1	-95.6	0	0	0	112.3	S39 A40 H41	F37-S39 VanDerWaalsContact C-N 3.33Å; F37-S39 PolarHBondContact O-N 2.99Å; F37-A40 PolarHBondContact O-N 2.86Å; F37-A40 VanDerWaalsContact O-N 3.16Å; F37-H41 PolarHBondContact O-N 3.05Å
38	D	63.7	Low	65.5	Low	93 Å²	93	81.5 Å²	81.5	50%	0.497	46%	0.458	S	S	.	.	H	α-helix	trans	-62.9	-38.8	-179.6	-50.4	-38.4	0	0	0	112	S36 A40 H41 Q42	S36-D38 VanDerWaalsContact C-N 3.27Å; S36-D38 PolarHBondContact O-N 3.05Å; D38-A40 VanDerWaalsContact C-N 3.31Å; D38-A40 PolarHBondContact O-N 2.96Å; D38-H41 PolarHBondContact O-N 3.47Å; D38-Q42 WeakPolarHBondContact O-CB 3.48Å; D38-Q42 PolarHBondContact O-N 3.38Å
39	S	69.6	Low	68.3	Low	36 Å²	36	73.5 Å²	73.5	25%	0.252	42%	0.423	S	S	.	.	H	α-helix	trans	-69.9	-27.7	177.6	74.5	0	0	0	0	113.3	S36 F37 K43	S36-S39 PolarHBondContact N-OG 3.3Å; S36-S39 PolarHBondContact O-N 3.28Å; S36-S39 VanDerWaalsContact O-N 3.11Å; S36-S39 PolarHBondContact O-OG 2.86Å; S36-S39 PolarHBondContact OG-N 3.06Å; S36-S39 PolarHBondContact OG-OG 3.01Å; F37-S39 VanDerWaalsContact C-N 3.33Å; F37-S39 PolarHBondContact O-N 2.99Å; S39-K43 WeakPolarHBondContact O-CG 3.48Å; S39-K43 PolarHBondContact O-N 2.69Å
40	A	71.3	Confident	70.9	Confident	36 Å²	36	70.7 Å²	70.7	30%	0.298	41%	0.408	S	S	.	.	H	α-helix	trans	-78.2	-43	175	0	0	0	0	0	111.4	S36 F37 D38 K43 R44	S36-A40 PolarHBondContact O-N 3.21Å; S36-A40 VanDerWaalsContact O-N 3.15Å; F37-A40 PolarHBondContact O-N 2.86Å; F37-A40 VanDerWaalsContact O-N 3.16Å; D38-A40 VanDerWaalsContact C-N 3.31Å; D38-A40 PolarHBondContact O-N 2.96Å; A40-K43 PolarHBondContact O-N 3.26Å; A40-R44 PolarHBondContact O-N 3.01Å
41	H	76	Confident	73.5	Confident	23 Å²	23	68.2 Å²	68.2	11%	0.106	39%	0.386	C	S	.	.	H	α-helix	trans	-60.1	-49.3	174.3	-176.2	-91.3	0	0	0	111.1	F37 D38 K43 R44 T45 D151 D217	F37-H41 PolarHBondContact O-N 3.05Å; D38-H41 PolarHBondContact O-N 3.47Å; H41-K43 PolarHBondContact O-N 3.05Å; H41-R44 CarbonylContact O-C 3.55Å; H41-R44 WeakPolarHBondContact O-CA 3.46Å; H41-R44 WeakPolarHBondContact O-CB 3.47Å; H41-R44 PolarHBondContact O-N 2.92Å; H41-T45 PolarHBondContact CE1-OG1 3.03Å; H41-T45 PolarHBondContact ND1-OG1 3.25Å; H41-T45 PolarHBondContact O-N 2.76Å; H41-T45 PolarHBondContact O-OG1 3.48Å; H41-D151 IonicContact CE1-OD1 3.64Å; H41-D151 PolarHBondContact CE1-OD1 3.39Å; H41-D151 IonicContact CE1-OD2 2.99Å; H41-D151 IonicContact NE2-OD1 3.77Å; H41-D151 PolarHBondContact NE2-OD1 3.09Å; H41-D151 IonicContact NE2-OD2 3.53Å; H41-D151 PolarHBondContact NE2-OD2 2.73Å; H41-D217 IonicContact CD2-OD2 2.66Å; H41-D217 PolarHBondContact CD2-OD2 3.44Å; H41-D217 IonicContact NE2-OD2 3.57Å; H41-D217 PolarHBondContact NE2-OD2 3.35Å
42	Q	79.4	Confident	76.2	Confident	97 Å²	97	64.1 Å²	64.1	45%	0.453	36%	0.359	S	S	.	.	H	α-helix	trans	-54.5	-48.4	177	171.3	164.3	9.8	0	0	112.8	D38 R44 T45 E46 Y115	D38-Q42 WeakPolarHBondContact O-CB 3.48Å; D38-Q42 PolarHBondContact O-N 3.38Å; Q42-R44 VanDerWaalsContact C-N 3.28Å; Q42-R44 PolarHBondContact O-N 2.97Å; Q42-T45 PolarHBondContact O-N 2.72Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.41Å; Q42-E46 PolarHBondContact NE2-OE1 2.85Å; Q42-E46 WeakPolarHBondContact O-CG 3.22Å; Q42-E46 PolarHBondContact O-N 2.75Å; Q42-Y115 WeakPolarHBondContact CA-OH 3.28Å; Q42-Y115 WeakPolarHBondContact CG-OH 3.4Å
43	K	82.5	Confident	78.3	Confident	117 Å²	117	61.9 Å²	61.9	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-61	-36.3	176.1	-76.2	176.3	180	177.7	0	112.5	M35 S39 A40 H41 G47	M35-K43 VanDerWaalsContact CE-NZ 3.29Å; M35-K43 PolarHBondContact SD-NZ 3.16Å; S39-K43 WeakPolarHBondContact O-CG 3.48Å; S39-K43 PolarHBondContact O-N 2.69Å; A40-K43 PolarHBondContact O-N 3.26Å; H41-K43 PolarHBondContact O-N 3.05Å; K43-G47 PolarHBondContact O-N 3.47Å
44	R	85.2	Confident	80.7	Confident	61 Å²	61	60.6 Å²	60.6	23%	0.23	33%	0.33	C	S	.	.	H	α-helix	trans	-67.3	-48.7	175.7	177.1	55.4	-173.6	177.5	-3.6	111	A40 H41 Q42 E46 G47 V48 P216 D217 D241 C243	A40-R44 PolarHBondContact O-N 3.01Å; H41-R44 CarbonylContact O-C 3.55Å; H41-R44 WeakPolarHBondContact O-CA 3.46Å; H41-R44 WeakPolarHBondContact O-CB 3.47Å; H41-R44 PolarHBondContact O-N 2.92Å; Q42-R44 VanDerWaalsContact C-N 3.28Å; Q42-R44 PolarHBondContact O-N 2.97Å; R44-E46 VanDerWaalsContact C-N 3.33Å; R44-E46 PolarHBondContact O-N 3.27Å; R44-G47 WeakPolarHBondContact O-CA 3.31Å; R44-G47 PolarHBondContact O-N 3.22Å; R44-V48 WeakPolarHBondContact O-CG2 3.5Å; R44-V48 PolarHBondContact O-N 3.42Å; R44-P216 PolarHBondContact NE-O 2.96Å; R44-P216 PolarHBondContact NH2-O 2.67Å; R44-D217 WeakPolarHBondContact CG-OD1 3.35Å; R44-D241 IonicContact CZ-OD1 3.88Å; R44-D241 IonicContact CZ-OD2 2.77Å; R44-D241 IonicContact NH1-OD1 3.7Å; R44-D241 IonicContact NH1-OD2 3.84Å; R44-D241 PolarHBondContact NH1-OD2 3.14Å; R44-D241 IonicContact NH2-OD1 2.84Å; R44-D241 PolarHBondContact NH2-OD1 3.48Å; R44-D241 IonicContact NH2-OD2 2.9Å; R44-C243 PolarHBondContact NH2-SG 3.07Å; R44-C243 VanDerWaalsContact NH2-SG 3.36Å
45	T	86.8	Confident	82.6	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-54.5	-48.7	176.2	-46.1	0	0	0	0	111	H41 Q42 G47 V48 F49 Y115 L154	H41-T45 PolarHBondContact CE1-OG1 3.03Å; H41-T45 PolarHBondContact ND1-OG1 3.25Å; H41-T45 PolarHBondContact O-N 2.76Å; H41-T45 PolarHBondContact O-OG1 3.48Å; Q42-T45 PolarHBondContact O-N 2.72Å; T45-G47 VanDerWaalsContact C-N 3.31Å; T45-G47 PolarHBondContact O-N 3.3Å; T45-V48 PolarHBondContact O-N 3.47Å; T45-V48 VanDerWaalsContact O-N 3.13Å; T45-F49 HydrophobicContact CG2-CD2 4.06Å; T45-F49 HydrophobicContact CG2-CE2 3.8Å; T45-F49 VanDerWaalsContact O-CD2 3.28Å; T45-F49 WeakPolarHBondContact O-CD2 3.4Å; T45-F49 PolarHBondContact O-N 3Å; T45-Y115 WeakPolarHBondContact CB-OH 3.42Å; T45-Y115 HydrophobicContact CG2-CE1 4.38Å; T45-Y115 HydrophobicContact CG2-CE2 3.86Å; T45-L154 HydrophobicContact CG2-CD1 3.55Å
46	E	89.3	Confident	84.3	Confident	56 Å²	56	52.5 Å²	52.5	26%	0.262	27%	0.268	S	S	.	.	H	α-helix	trans	-59.9	-38.8	176.5	-71.8	176	-166	0	0	112.4	Q42 R44 F49 Q50 Y115	Q42-E46 WeakPolarHBondContact CG-OE1 3.41Å; Q42-E46 PolarHBondContact NE2-OE1 2.85Å; Q42-E46 WeakPolarHBondContact O-CG 3.22Å; Q42-E46 PolarHBondContact O-N 2.75Å; R44-E46 VanDerWaalsContact C-N 3.33Å; R44-E46 PolarHBondContact O-N 3.27Å; E46-F49 PolarHBondContact O-N 3.32Å; E46-Q50 WeakPolarHBondContact O-CG 3.06Å; E46-Q50 PolarHBondContact O-N 3.06Å; E46-Q50 VanDerWaalsContact O-N 3.08Å; E46-Y115 HydrophobicContact CG-CE1 3.99Å
47	G	89.3	Confident	85.7	Confident	23 Å²	23	54.5 Å²	54.5	24%	0.237	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-40.1	173	0	0	0	0	0	113.4	K43 R44 T45 Q50 S51	K43-G47 PolarHBondContact O-N 3.47Å; R44-G47 WeakPolarHBondContact O-CA 3.31Å; R44-G47 PolarHBondContact O-N 3.22Å; T45-G47 VanDerWaalsContact C-N 3.31Å; T45-G47 PolarHBondContact O-N 3.3Å; G47-Q50 PolarHBondContact O-N 3.21Å; G47-S51 WeakPolarHBondContact O-CB 3.3Å; G47-S51 PolarHBondContact O-N 2.67Å; G47-S51 PolarHBondContact O-OG 2.95Å
48	V	91.8	Very high	87	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.1	-43.9	175.6	177.3	0	0	0	0	110.8	R44 T45 Q50 S51 L52 L154 M158 P216	R44-V48 WeakPolarHBondContact O-CG2 3.5Å; R44-V48 PolarHBondContact O-N 3.42Å; T45-V48 PolarHBondContact O-N 3.47Å; T45-V48 VanDerWaalsContact O-N 3.13Å; V48-Q50 PolarHBondContact O-N 2.86Å; V48-S51 PolarHBondContact O-N 3.23Å; V48-L52 HydrophobicContact CG1-CD1 3.92Å; V48-L52 HydrophobicContact CG1-CG 4.34Å; V48-L52 WeakPolarHBondContact O-CB 3.48Å; V48-L52 WeakPolarHBondContact O-CG 3.2Å; V48-L52 PolarHBondContact O-N 3.26Å; V48-L154 HydrophobicContact CG1-CD1 4.48Å; V48-L154 HydrophobicContact CG1-CD2 4.26Å; V48-M158 HydrophobicContact CG1-CE 4.19Å; V48-M158 HydrophobicContact CG1-CG 4.23Å; V48-M158 HydrophobicContact CG1-SD 3.75Å; V48-P216 HydrophobicContact CG2-CB 4.2Å
49	F	93.6	Very high	88	Confident	7 Å²	7	44 Å²	44	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-56.6	-46.6	173.5	-85	-71.8	0	0	0	112.6	T45 E46 L52 A53 L108 L111 Y112 Y115 I150 L154	T45-F49 HydrophobicContact CG2-CD2 4.06Å; T45-F49 HydrophobicContact CG2-CE2 3.8Å; T45-F49 VanDerWaalsContact O-CD2 3.28Å; T45-F49 WeakPolarHBondContact O-CD2 3.4Å; T45-F49 PolarHBondContact O-N 3Å; E46-F49 PolarHBondContact O-N 3.32Å; F49-L52 PolarHBondContact O-N 3.41Å; F49-A53 WeakPolarHBondContact O-CB 3.23Å; F49-A53 PolarHBondContact O-N 3.15Å; F49-L108 HydrophobicContact CD1-CD1 3.56Å; F49-L108 HydrophobicContact CD1-CG 4.06Å; F49-L108 HydrophobicContact CE1-CD1 3.87Å; F49-L111 HydrophobicContact CE1-CB 4.13Å; F49-L111 HydrophobicContact CE1-CD2 4Å; F49-L111 HydrophobicContact CE1-CG 4.05Å; F49-L111 HydrophobicContact CZ-CB 4.49Å; F49-L111 HydrophobicContact CZ-CD2 4.09Å; F49-L111 HydrophobicContact CZ-CG 3.99Å; F49-Y112 HydrophobicContact CB-CD2 3.88Å; F49-Y112 HydrophobicContact CB-CE2 4.32Å; F49-Y112 AromaticContact CD1-CD2 3.87Å; F49-Y112 HydrophobicContact CD1-CD2 3.87Å; F49-Y112 HydrophobicContact CD1-CG 4.21Å; F49-Y112 AromaticContact CD2-CD2 3.71Å; F49-Y112 HydrophobicContact CD2-CD2 3.71Å; F49-Y112 HydrophobicContact CD2-CE2 4.34Å; F49-Y112 HydrophobicContact CE1-CD2 4.29Å; F49-Y112 HydrophobicContact CE2-CD2 4.14Å; F49-Y112 AromaticContact CG-CD2 3.56Å; F49-Y112 HydrophobicContact CG-CD2 3.56Å; F49-Y112 HydrophobicContact CG-CE2 4.35Å; F49-Y112 HydrophobicContact CG-CG 4.34Å; F49-Y112 HydrophobicContact CZ-CD2 4.42Å; F49-Y115 HydrophobicContact CE2-CD1 4.06Å; F49-Y115 HydrophobicContact CE2-CG 4.07Å; F49-I150 HydrophobicContact CE2-CG1 4.41Å; F49-I150 HydrophobicContact CZ-CD1 3.97Å; F49-I150 HydrophobicContact CZ-CG1 4.3Å; F49-L154 HydrophobicContact CD1-CD2 3.96Å; F49-L154 HydrophobicContact CD2-CD1 4.34Å; F49-L154 HydrophobicContact CD2-CD2 4.29Å; F49-L154 HydrophobicContact CE1-CD2 3.73Å; F49-L154 HydrophobicContact CE2-CD1 3.93Å; F49-L154 HydrophobicContact CE2-CD2 4.09Å; F49-L154 HydrophobicContact CE2-CG 4.41Å; F49-L154 HydrophobicContact CG-CD2 4.23Å; F49-L154 HydrophobicContact CZ-CD1 4.25Å; F49-L154 HydrophobicContact CZ-CD2 3.79Å; F49-L154 HydrophobicContact CZ-CG 4.25Å
50	Q	94	Very high	89	Confident	129 Å²	129	42.7 Å²	42.7	60%	0.603	21%	0.213	S	C	*	.	H	α-helix	trans	-63.9	-44.1	178.6	-69.8	174.1	29	0	0	112.1	E46 G47 V48 A53 K54	E46-Q50 WeakPolarHBondContact O-CG 3.06Å; E46-Q50 PolarHBondContact O-N 3.06Å; E46-Q50 VanDerWaalsContact O-N 3.08Å; G47-Q50 PolarHBondContact O-N 3.21Å; V48-Q50 PolarHBondContact O-N 2.86Å; Q50-A53 PolarHBondContact O-N 2.84Å; Q50-K54 WeakPolarHBondContact O-CB 3.25Å; Q50-K54 PolarHBondContact O-N 2.93Å
51	S	94.6	Very high	90.1	Very high	25 Å²	25	45.9 Å²	45.9	18%	0.175	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-46	176.6	-82.5	0	0	0	0	112.7	G47 V48 K54 G55 C243	G47-S51 WeakPolarHBondContact O-CB 3.3Å; G47-S51 PolarHBondContact O-N 2.67Å; G47-S51 PolarHBondContact O-OG 2.95Å; V48-S51 PolarHBondContact O-N 3.23Å; S51-K54 PolarHBondContact O-N 3.04Å; S51-G55 PolarHBondContact O-N 3.25Å; S51-C243 VanDerWaalsContact CB-O 3.24Å; S51-C243 WeakPolarHBondContact CB-O 3.37Å; S51-C243 PolarHBondContact OG-O 3.16Å
52	L	94.6	Very high	90.7	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.3	-44	175.6	-74.6	172.5	0	0	0	111.7	V48 F49 K54 G55 F56 L108 L154 L157 M158 F246 W271	V48-L52 HydrophobicContact CG1-CD1 3.92Å; V48-L52 HydrophobicContact CG1-CG 4.34Å; V48-L52 WeakPolarHBondContact O-CB 3.48Å; V48-L52 WeakPolarHBondContact O-CG 3.2Å; V48-L52 PolarHBondContact O-N 3.26Å; F49-L52 PolarHBondContact O-N 3.41Å; L52-K54 VanDerWaalsContact C-N 3.3Å; L52-K54 PolarHBondContact O-N 2.68Å; L52-G55 PolarHBondContact O-N 2.97Å; L52-F56 HydrophobicContact CB-CD2 4.4Å; L52-F56 HydrophobicContact CB-CE2 4.22Å; L52-F56 HydrophobicContact CD2-CE2 4.27Å; L52-F56 WeakPolarHBondContact O-CD2 3.44Å; L52-F56 PolarHBondContact O-N 3.21Å; L52-L108 HydrophobicContact CB-CD1 3.92Å; L52-L108 HydrophobicContact CB-CD2 3.55Å; L52-L108 HydrophobicContact CB-CG 4.41Å; L52-L108 HydrophobicContact CD1-CD1 3.69Å; L52-L108 HydrophobicContact CG-CD1 4.47Å; L52-L154 HydrophobicContact CD1-CD2 3.83Å; L52-L157 HydrophobicContact CD1-CB 4.14Å; L52-M158 HydrophobicContact CD1-CG 3.97Å; L52-M158 HydrophobicContact CD2-CB 4.37Å; L52-M158 HydrophobicContact CD2-CG 3.84Å; L52-M158 HydrophobicContact CG-CG 4.22Å; L52-F246 HydrophobicContact CD2-CD2 3.87Å; L52-F246 HydrophobicContact CD2-CE2 3.58Å; L52-F246 HydrophobicContact CG-CD2 4.36Å; L52-F246 HydrophobicContact CG-CE2 4.08Å; L52-W271 HydrophobicContact CD2-CH2 4.47Å; L52-W271 HydrophobicContact CD2-CZ2 3.8Å
53	A	95.7	Very high	90.9	Very high	17 Å²	17	45.9 Å²	45.9	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-37.1	178.6	0	0	0	0	0	111.8	F49 Q50 K57 L105 L108	F49-A53 WeakPolarHBondContact O-CB 3.23Å; F49-A53 PolarHBondContact O-N 3.15Å; Q50-A53 PolarHBondContact O-N 2.84Å; A53-K57 WeakPolarHBondContact O-CB 3.41Å; A53-K57 WeakPolarHBondContact O-CD 3.42Å; A53-K57 WeakPolarHBondContact O-CG 3.31Å; A53-K57 PolarHBondContact O-N 3.25Å; A53-L105 HydrophobicContact CB-CD1 4.21Å; A53-L108 HydrophobicContact CB-CD2 3.82Å; A53-L108 VanDerWaalsContact N-CD2 3.31Å
54	K	95.3	Very high	91.3	Very high	150 Å²	150	44.5 Å²	44.5	65%	0.652	22%	0.219	S	C	*	.	H	α-helix	trans	-66.2	-47.2	172.4	-176.3	-172.5	174.6	-167.9	0	111.5	Q50 S51 L52 K57 S58	Q50-K54 WeakPolarHBondContact O-CB 3.25Å; Q50-K54 PolarHBondContact O-N 2.93Å; S51-K54 PolarHBondContact O-N 3.04Å; L52-K54 VanDerWaalsContact C-N 3.3Å; L52-K54 PolarHBondContact O-N 2.68Å; K54-K57 PolarHBondContact O-N 3.4Å; K54-S58 PolarHBondContact O-N 3.27Å
55	G	92.8	Very high	91.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-52.5	179.1	0	0	0	0	0	112.4	S51 L52 K57 S58 C59 F246 W271	S51-G55 PolarHBondContact O-N 3.25Å; L52-G55 PolarHBondContact O-N 2.97Å; G55-K57 VanDerWaalsContact C-N 3.31Å; G55-K57 PolarHBondContact O-N 2.99Å; G55-S58 WeakPolarHBondContact O-CA 3.5Å; G55-S58 WeakPolarHBondContact O-CB 3.35Å; G55-S58 PolarHBondContact O-N 2.72Å; G55-C59 PolarHBondContact O-N 3.49Å; G55-C59 VanDerWaalsContact O-N 3.08Å; G55-F246 WeakPolarHBondContact CA-O 3.33Å; G55-W271 VanDerWaalsContact C-CZ3 3.43Å
56	F	94.2	Very high	91.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-38.7	177.7	-70.4	-52.9	0	0	0	112.4	L52 S58 C59 I60 Y101 R104 L105 L108 L157 W271 P273	L52-F56 HydrophobicContact CB-CD2 4.4Å; L52-F56 HydrophobicContact CB-CE2 4.22Å; L52-F56 HydrophobicContact CD2-CE2 4.27Å; L52-F56 WeakPolarHBondContact O-CD2 3.44Å; L52-F56 PolarHBondContact O-N 3.21Å; F56-S58 VanDerWaalsContact C-N 3.3Å; F56-S58 PolarHBondContact O-N 3.31Å; F56-C59 PolarHBondContact O-N 3.38Å; F56-I60 VanDerWaalsContact O-CG1 3.28Å; F56-I60 WeakPolarHBondContact O-CG1 3.5Å; F56-I60 PolarHBondContact O-N 3.02Å; F56-Y101 AromaticContact CD1-CD1 3.9Å; F56-Y101 HydrophobicContact CD1-CD1 3.9Å; F56-Y101 HydrophobicContact CD1-CE1 4.46Å; F56-Y101 HydrophobicContact CE1-CD1 4.35Å; F56-R104 HydrophobicContact CD1-CB 4.12Å; F56-R104 HydrophobicContact CE1-CB 3.72Å; F56-R104 HydrophobicContact CE1-CG 4.34Å; F56-R104 HydrophobicContact CE2-CB 4.36Å; F56-R104 HydrophobicContact CZ-CB 3.87Å; F56-L105 HydrophobicContact CB-CB 4.12Å; F56-L105 HydrophobicContact CB-CD1 4.29Å; F56-L108 HydrophobicContact CD2-CD2 4.02Å; F56-L108 HydrophobicContact CE2-CD2 4.28Å; F56-L157 WeakPolarHBondContact CZ-O 3.38Å; F56-W271 HydrophobicContact CD1-CH2 4.06Å; F56-W271 HydrophobicContact CE1-CH2 4.11Å; F56-W271 HydrophobicContact CG-CH2 4.39Å; F56-W271 HydrophobicContact CZ-CH2 4.46Å; F56-P273 HydrophobicContact CE1-CB 3.8Å; F56-P273 HydrophobicContact CE1-CG 4.5Å; F56-P273 HydrophobicContact CZ-CB 4.43Å
57	K	95.3	Very high	91.5	Very high	109 Å²	109	44.2 Å²	44.2	47%	0.474	23%	0.228	S	C	.	.	H	α-helix	trans	-63	-34.6	172.2	-73.7	170.7	-174.8	176.5	0	112.5	A53 K54 G55 N61 L105	A53-K57 WeakPolarHBondContact O-CB 3.41Å; A53-K57 WeakPolarHBondContact O-CD 3.42Å; A53-K57 WeakPolarHBondContact O-CG 3.31Å; A53-K57 PolarHBondContact O-N 3.25Å; K54-K57 PolarHBondContact O-N 3.4Å; G55-K57 VanDerWaalsContact C-N 3.31Å; G55-K57 PolarHBondContact O-N 2.99Å; K57-N61 VanDerWaalsContact O-CB 3.29Å; K57-N61 WeakPolarHBondContact O-CB 3.46Å; K57-N61 PolarHBondContact O-N 2.9Å; K57-N61 PolarHBondContact O-ND2 3.39Å; K57-N61 PolarHBondContact O-OD1 3.13Å; K57-L105 HydrophobicContact CG-CD2 3.86Å
58	S	92.3	Very high	91.6	Very high	34 Å²	34	47 Å²	47	24%	0.238	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-44.5	172.6	-161.1	0	0	0	0	111.8	K54 G55 F56 H62 S248	K54-S58 PolarHBondContact O-N 3.27Å; G55-S58 WeakPolarHBondContact O-CA 3.5Å; G55-S58 WeakPolarHBondContact O-CB 3.35Å; G55-S58 PolarHBondContact O-N 2.72Å; F56-S58 VanDerWaalsContact C-N 3.3Å; F56-S58 PolarHBondContact O-N 3.31Å; S58-H62 WeakPolarHBondContact O-CB 3.32Å; S58-H62 PolarHBondContact O-N 2.7Å; S58-S248 PolarHBondContact O-OG 3.38Å; S58-S248 PolarHBondContact OG-N 2.94Å; S58-S248 PolarHBondContact OG-OG 3.16Å
59	C	84.8	Confident	91.7	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.027	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-48.2	175.6	-58.3	0	0	0	0	111.9	G55 F56 N61 H62 Y63 Y101	G55-C59 PolarHBondContact O-N 3.49Å; G55-C59 VanDerWaalsContact O-N 3.08Å; F56-C59 PolarHBondContact O-N 3.38Å; C59-N61 PolarHBondContact O-N 2.93Å; C59-H62 PolarHBondContact O-N 3.18Å; C59-Y63 VanDerWaalsContact O-CD2 3.27Å; C59-Y63 WeakPolarHBondContact O-CD2 3.31Å; C59-Y63 PolarHBondContact O-N 3.2Å; C59-Y101 HydrophobicContact CB-CD1 3.79Å; C59-Y101 HydrophobicContact CB-CD2 3.81Å; C59-Y101 HydrophobicContact CB-CE1 3.88Å; C59-Y101 HydrophobicContact CB-CE2 3.97Å; C59-Y101 HydrophobicContact CB-CG 3.76Å
60	I	90.9	Very high	91.4	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.041	26%	0.256	C	S	.	.	H	α-helix	trans	-57.4	-49.2	177.2	-66.6	161.2	0	0	0	110.6	F56 H62 Y63 Q64 L98 L105	F56-I60 VanDerWaalsContact O-CG1 3.28Å; F56-I60 WeakPolarHBondContact O-CG1 3.5Å; F56-I60 PolarHBondContact O-N 3.02Å; I60-H62 VanDerWaalsContact C-N 3.31Å; I60-H62 PolarHBondContact O-N 3.03Å; I60-Y63 PolarHBondContact O-N 3.01Å; I60-Q64 VanDerWaalsContact O-CB 3.27Å; I60-Q64 WeakPolarHBondContact O-CB 3.45Å; I60-Q64 PolarHBondContact O-N 3.45Å; I60-L98 HydrophobicContact CG2-CD2 4.11Å; I60-L98 VanDerWaalsContact O-CD2 3.25Å; I60-L98 WeakPolarHBondContact O-CD2 3.42Å; I60-L105 HydrophobicContact CD1-CB 4.11Å; I60-L105 HydrophobicContact CD1-CD2 3.59Å
61	N	93.7	Very high	91.2	Very high	102 Å²	102	50.1 Å²	50.1	55%	0.545	25%	0.247	S	C	.	.	H	α-helix	trans	-62.5	-37.6	179.7	-69.4	-7.7	0	0	0	112.4	K57 C59 S65	K57-N61 VanDerWaalsContact O-CB 3.29Å; K57-N61 WeakPolarHBondContact O-CB 3.46Å; K57-N61 PolarHBondContact O-N 2.9Å; K57-N61 PolarHBondContact O-ND2 3.39Å; K57-N61 PolarHBondContact O-OD1 3.13Å; C59-N61 PolarHBondContact O-N 2.93Å; N61-S65 WeakPolarHBondContact O-CB 3.16Å; N61-S65 PolarHBondContact O-N 3.2Å
62	H	88.3	Confident	90.9	Very high	68 Å²	68	52.3 Å²	52.3	32%	0.315	26%	0.259	S	S	.	.	H	α-helix	trans	-63.7	-57.2	177.1	174.2	40.9	0	0	0	111.1	S58 C59 I60 Q64 S65 E66	S58-H62 WeakPolarHBondContact O-CB 3.32Å; S58-H62 PolarHBondContact O-N 2.7Å; C59-H62 PolarHBondContact O-N 3.18Å; I60-H62 VanDerWaalsContact C-N 3.31Å; I60-H62 PolarHBondContact O-N 3.03Å; H62-Q64 VanDerWaalsContact C-N 3.28Å; H62-Q64 PolarHBondContact O-N 2.98Å; H62-S65 WeakPolarHBondContact O-CB 3.35Å; H62-S65 PolarHBondContact O-N 2.98Å; H62-S65 VanDerWaalsContact O-N 3.12Å; H62-E66 IonicContact CE1-OE2 3.21Å; H62-E66 WeakPolarHBondContact O-CB 3.42Å; H62-E66 PolarHBondContact O-N 3.41Å
63	Y	84.4	Confident	90.4	Very high	53 Å²	53	55.5 Å²	55.5	21%	0.208	27%	0.274	C	S	.	.	H	α-helix	trans	-66.9	-26.5	-179.7	-69.4	-75.3	0	0	0	112.9	C59 I60 E66 A67 C94 N97 Y101	C59-Y63 VanDerWaalsContact O-CD2 3.27Å; C59-Y63 WeakPolarHBondContact O-CD2 3.31Å; C59-Y63 PolarHBondContact O-N 3.2Å; I60-Y63 PolarHBondContact O-N 3.01Å; Y63-E66 PolarHBondContact O-N 3.2Å; Y63-A67 WeakPolarHBondContact O-CB 3.42Å; Y63-A67 PolarHBondContact O-N 3.43Å; Y63-C94 HydrophobicContact CD1-CB 4.17Å; Y63-N97 HydrophobicContact CD1-CB 3.91Å; Y63-N97 HydrophobicContact CD2-CB 3.93Å; Y63-N97 HydrophobicContact CE1-CB 3.88Å; Y63-N97 HydrophobicContact CE2-CB 3.95Å; Y63-N97 HydrophobicContact CG-CB 3.93Å; Y63-Y101 AromaticContact CD2-CD2 3.91Å; Y63-Y101 HydrophobicContact CD2-CD2 3.91Å; Y63-Y101 AromaticContact CD2-CE2 3.84Å; Y63-Y101 HydrophobicContact CD2-CE2 3.84Å; Y63-Y101 AromaticContact CE2-CD2 3.98Å; Y63-Y101 HydrophobicContact CE2-CD2 3.98Å; Y63-Y101 AromaticContact CE2-CE2 3.41Å; Y63-Y101 HydrophobicContact CE2-CE2 3.41Å; Y63-Y101 VanDerWaalsContact CE2-CE2 3.41Å
64	Q	91.3	Very high	89.9	Confident	88 Å²	88	56.4 Å²	56.4	41%	0.411	28%	0.276	S	S	.	.	H	α-helix	trans	-67.2	-43.5	170.7	-93.9	165.4	2	0	0	111.7	I60 H62 E66 T68 L98	I60-Q64 VanDerWaalsContact O-CB 3.27Å; I60-Q64 WeakPolarHBondContact O-CB 3.45Å; I60-Q64 PolarHBondContact O-N 3.45Å; H62-Q64 VanDerWaalsContact C-N 3.28Å; H62-Q64 PolarHBondContact O-N 2.98Å; Q64-E66 VanDerWaalsContact C-N 3.34Å; Q64-T68 VanDerWaalsContact O-CB 3.31Å; Q64-T68 WeakPolarHBondContact O-CB 3.39Å; Q64-T68 PolarHBondContact O-N 2.93Å; Q64-T68 PolarHBondContact O-OG1 2.93Å; Q64-L98 HydrophobicContact CB-CD2 4.33Å; Q64-L98 HydrophobicContact CG-CD1 3.89Å; Q64-L98 HydrophobicContact CG-CD2 3.7Å; Q64-L98 HydrophobicContact CG-CG 4.46Å
65	S	92.3	Very high	89.3	Confident	75 Å²	75	53.1 Å²	53.1	52%	0.524	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-42.7	174.2	-171	0	0	0	0	110.9	N61 H62 T68 R69	N61-S65 WeakPolarHBondContact O-CB 3.16Å; N61-S65 PolarHBondContact O-N 3.2Å; H62-S65 WeakPolarHBondContact O-CB 3.35Å; H62-S65 PolarHBondContact O-N 2.98Å; H62-S65 VanDerWaalsContact O-N 3.12Å; S65-T68 PolarHBondContact O-N 3.49Å; S65-R69 PolarHBondContact O-N 3.16Å
66	E	85.4	Confident	88.6	Confident	37 Å²	37	59.2 Å²	59.2	17%	0.173	31%	0.31	C	S	.	.	H	α-helix	trans	-67.1	-50.2	-178.1	-153.6	56.6	-133.8	0	0	111.8	H62 Y63 Q64 T68 R69 L70	H62-E66 IonicContact CE1-OE2 3.21Å; H62-E66 WeakPolarHBondContact O-CB 3.42Å; H62-E66 PolarHBondContact O-N 3.41Å; Y63-E66 PolarHBondContact O-N 3.2Å; Q64-E66 VanDerWaalsContact C-N 3.34Å; E66-T68 PolarHBondContact O-N 3.29Å; E66-R69 WeakPolarHBondContact O-CA 3.43Å; E66-R69 WeakPolarHBondContact O-CB 3.46Å; E66-R69 PolarHBondContact O-N 3.49Å; E66-R69 IonicContact OE1-CZ 2.67Å; E66-R69 IonicContact OE1-NE 3.13Å; E66-R69 PolarHBondContact OE1-NE 3.34Å; E66-R69 IonicContact OE1-NH2 3.93Å; E66-R69 PolarHBondContact OE1-NH2 3.22Å; E66-L70 HydrophobicContact CG-CD1 4.23Å; E66-L70 WeakPolarHBondContact O-CB 3.42Å; E66-L70 WeakPolarHBondContact O-CG 3.46Å; E66-L70 PolarHBondContact O-N 3.11Å
67	A	87.6	Confident	87.2	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.9	-25.4	173.4	0	0	0	0	0	112.6	Y63 R71 L91 C94 L98	Y63-A67 WeakPolarHBondContact O-CB 3.42Å; Y63-A67 PolarHBondContact O-N 3.43Å; A67-R71 VanDerWaalsContact CB-NH1 3.34Å; A67-R71 WeakPolarHBondContact O-CB 3.48Å; A67-R71 WeakPolarHBondContact O-CD 3.2Å; A67-R71 WeakPolarHBondContact O-CG 3.35Å; A67-R71 PolarHBondContact O-N 3.01Å; A67-R71 PolarHBondContact O-NH1 3.37Å; A67-L91 HydrophobicContact CB-CD1 3.67Å; A67-C94 HydrophobicContact CB-CB 3.91Å; A67-L98 HydrophobicContact CB-CD1 4.4Å
68	T	92.1	Very high	85.5	Confident	82 Å²	82	66 Å²	66	50%	0.503	34%	0.344	S	S	.	.	H	α-helix	trans	-76.5	-40.8	172.2	-56.6	0	0	0	0	111.3	Q64 S65 E66 T72	Q64-T68 VanDerWaalsContact O-CB 3.31Å; Q64-T68 WeakPolarHBondContact O-CB 3.39Å; Q64-T68 PolarHBondContact O-N 2.93Å; Q64-T68 PolarHBondContact O-OG1 2.93Å; S65-T68 PolarHBondContact O-N 3.49Å; E66-T68 PolarHBondContact O-N 3.29Å; T68-T72 WeakPolarHBondContact O-CB 3.39Å; T68-T72 PolarHBondContact O-N 3.13Å; T68-T72 PolarHBondContact O-OG1 3.35Å
69	R	92.3	Very high	83.8	Confident	93 Å²	93	68.5 Å²	68.5	35%	0.351	35%	0.354	S	S	.	.	H	α-helix	trans	-59.3	-53.8	173.7	-176.2	-175.6	72.5	84.8	3.1	110.4	S65 E66 R71 T72 E73	S65-R69 PolarHBondContact O-N 3.16Å; E66-R69 WeakPolarHBondContact O-CA 3.43Å; E66-R69 WeakPolarHBondContact O-CB 3.46Å; E66-R69 PolarHBondContact O-N 3.49Å; E66-R69 IonicContact OE1-CZ 2.67Å; E66-R69 IonicContact OE1-NE 3.13Å; E66-R69 PolarHBondContact OE1-NE 3.34Å; E66-R69 IonicContact OE1-NH2 3.93Å; E66-R69 PolarHBondContact OE1-NH2 3.22Å; R69-R71 PolarHBondContact O-N 3.41Å; R69-T72 CarbonylContact O-C 3.59Å; R69-T72 WeakPolarHBondContact O-CA 3.3Å; R69-T72 WeakPolarHBondContact O-CB 3.42Å; R69-T72 PolarHBondContact O-N 3.49Å; R69-E73 WeakPolarHBondContact CD-OE1 3.45Å; R69-E73 WeakPolarHBondContact CG-OE1 3.34Å; R69-E73 IonicContact CZ-OE1 3.47Å; R69-E73 IonicContact CZ-OE2 3.69Å; R69-E73 IonicContact NE-OE1 3.56Å; R69-E73 IonicContact NH1-OE1 3.56Å; R69-E73 PolarHBondContact NH1-OE1 3.05Å; R69-E73 IonicContact NH1-OE2 2.76Å; R69-E73 PolarHBondContact NH1-OE2 3.19Å; R69-E73 PolarHBondContact O-N 3.17Å
70	L	88.4	Confident	82.7	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-60.1	-47.1	-178	-67.5	166.7	0	0	0	112.2	E66 T72 E73 I74 F87 E90 L91	E66-L70 HydrophobicContact CG-CD1 4.23Å; E66-L70 WeakPolarHBondContact O-CB 3.42Å; E66-L70 WeakPolarHBondContact O-CG 3.46Å; E66-L70 PolarHBondContact O-N 3.11Å; L70-T72 VanDerWaalsContact C-N 3.26Å; L70-T72 PolarHBondContact O-N 3.29Å; L70-E73 PolarHBondContact O-N 3.18Å; L70-I74 WeakPolarHBondContact O-CB 3.48Å; L70-I74 WeakPolarHBondContact O-CD1 3.22Å; L70-I74 VanDerWaalsContact O-CG1 3.25Å; L70-I74 WeakPolarHBondContact O-CG1 3.48Å; L70-I74 PolarHBondContact O-N 2.86Å; L70-F87 HydrophobicContact CD2-CB 4.49Å; L70-F87 HydrophobicContact CD2-CD1 3.58Å; L70-F87 HydrophobicContact CD2-CE1 4.26Å; L70-F87 HydrophobicContact CD2-CG 4.44Å; L70-E90 HydrophobicContact CD1-CB 4.05Å; L70-E90 HydrophobicContact CD1-CG 3.79Å; L70-E90 HydrophobicContact CD2-CB 4.35Å; L70-E90 HydrophobicContact CD2-CG 4.37Å; L70-E90 WeakPolarHBondContact CD2-OE2 3.34Å; L70-L91 HydrophobicContact CB-CB 4.16Å; L70-L91 HydrophobicContact CB-CD1 4.24Å; L70-L91 HydrophobicContact CD1-CB 4.29Å
71	R	89.4	Confident	81.3	Confident	108 Å²	108	76.6 Å²	76.6	41%	0.408	41%	0.411	S	S	.	.	H	α-helix	trans	-58.8	-36	172.2	-73.6	175.9	-167.6	113.7	-3.7	112.9	A67 R69 A75 L91 D95	A67-R71 VanDerWaalsContact CB-NH1 3.34Å; A67-R71 WeakPolarHBondContact O-CB 3.48Å; A67-R71 WeakPolarHBondContact O-CD 3.2Å; A67-R71 WeakPolarHBondContact O-CG 3.35Å; A67-R71 PolarHBondContact O-N 3.01Å; A67-R71 PolarHBondContact O-NH1 3.37Å; R69-R71 PolarHBondContact O-N 3.41Å; R71-A75 WeakPolarHBondContact O-CB 3.43Å; R71-A75 PolarHBondContact O-N 3.48Å; R71-L91 HydrophobicContact CG-CD1 3.85Å; R71-L91 HydrophobicContact CG-CD2 3.59Å; R71-L91 HydrophobicContact CG-CG 4.4Å; R71-D95 IonicContact CZ-OD1 2.78Å; R71-D95 IonicContact CZ-OD2 2.72Å; R71-D95 IonicContact NH1-OD1 2.8Å; R71-D95 IonicContact NH2-OD1 3.76Å; R71-D95 PolarHBondContact NH2-OD1 2.97Å; R71-D95 IonicContact NH2-OD2 2.72Å; R71-D95 PolarHBondContact NH2-OD2 3.45Å
72	T	88.3	Confident	79.8	Confident	71 Å²	71	77.9 Å²	77.9	44%	0.436	42%	0.417	S	S	.	.	H	α-helix	trans	-71.3	-39.2	177.8	-54.2	0	0	0	0	111.5	T68 R69 L70 N76	T68-T72 WeakPolarHBondContact O-CB 3.39Å; T68-T72 PolarHBondContact O-N 3.13Å; T68-T72 PolarHBondContact O-OG1 3.35Å; R69-T72 CarbonylContact O-C 3.59Å; R69-T72 WeakPolarHBondContact O-CA 3.3Å; R69-T72 WeakPolarHBondContact O-CB 3.42Å; R69-T72 PolarHBondContact O-N 3.49Å; L70-T72 VanDerWaalsContact C-N 3.26Å; L70-T72 PolarHBondContact O-N 3.29Å; T72-N76 WeakPolarHBondContact CG2-ND2 3.18Å; T72-N76 WeakPolarHBondContact O-CB 3.37Å; T72-N76 VanDerWaalsContact O-CG 3.3Å; T72-N76 PolarHBondContact O-N 2.87Å; T72-N76 PolarHBondContact O-ND2 2.99Å
73	E	84.2	Confident	78.7	Confident	66 Å²	66	76.9 Å²	76.9	31%	0.308	42%	0.418	S	S	.	.	H	α-helix	trans	-69	-45.4	176.8	-74.9	171.9	-164.8	0	0	111.6	R69 L70 A75 N76 S77	R69-E73 WeakPolarHBondContact CD-OE1 3.45Å; R69-E73 WeakPolarHBondContact CG-OE1 3.34Å; R69-E73 IonicContact CZ-OE1 3.47Å; R69-E73 IonicContact CZ-OE2 3.69Å; R69-E73 IonicContact NE-OE1 3.56Å; R69-E73 IonicContact NH1-OE1 3.56Å; R69-E73 PolarHBondContact NH1-OE1 3.05Å; R69-E73 IonicContact NH1-OE2 2.76Å; R69-E73 PolarHBondContact NH1-OE2 3.19Å; R69-E73 PolarHBondContact O-N 3.17Å; L70-E73 PolarHBondContact O-N 3.18Å; E73-A75 PolarHBondContact O-N 2.95Å; E73-N76 PolarHBondContact O-N 3.24Å; E73-S77 VanDerWaalsContact O-CB 3.28Å; E73-S77 WeakPolarHBondContact O-CB 3.41Å; E73-S77 PolarHBondContact O-N 2.68Å
74	I	85.1	Confident	78.3	Confident	37 Å²	37	77.2 Å²	77.2	19%	0.19	42%	0.423	C	S	.	.	H	α-helix	trans	-54.9	-50.1	171.7	-69.2	162.6	0	0	0	110.5	L70 N76 S77 L84 F87 L91	L70-I74 WeakPolarHBondContact O-CB 3.48Å; L70-I74 WeakPolarHBondContact O-CD1 3.22Å; L70-I74 VanDerWaalsContact O-CG1 3.25Å; L70-I74 WeakPolarHBondContact O-CG1 3.48Å; L70-I74 PolarHBondContact O-N 2.86Å; I74-N76 VanDerWaalsContact C-N 3.31Å; I74-N76 PolarHBondContact O-N 3.12Å; I74-S77 WeakPolarHBondContact O-CB 3.33Å; I74-S77 PolarHBondContact O-N 2.65Å; I74-S77 PolarHBondContact O-OG 3.44Å; I74-L84 HydrophobicContact CG1-CD1 4.36Å; I74-L84 HydrophobicContact CG2-CD1 4.07Å; I74-F87 HydrophobicContact CD1-CB 4.19Å; I74-F87 HydrophobicContact CG1-CB 3.9Å; I74-L91 HydrophobicContact CD1-CB 4.41Å; I74-L91 HydrophobicContact CD1-CD2 3.78Å
75	A	82.9	Confident	77.5	Confident	81 Å²	81	79.1 Å²	79.1	67%	0.669	43%	0.43	S	S	*	.	H	α-helix	trans	-66.2	-28.5	-178.6	0	0	0	0	0	114.3	R71 E73	R71-A75 WeakPolarHBondContact O-CB 3.43Å; R71-A75 PolarHBondContact O-N 3.48Å; E73-A75 PolarHBondContact O-N 2.95Å
76	N	77.4	Confident	76.6	Confident	127 Å²	127	80.3 Å²	80.3	68%	0.679	43%	0.431	S	S	*	.	H	α-helix	trans	-93.4	-2.1	177.9	-69.8	-41.2	0	0	0	113.5	T72 E73 I74	T72-N76 WeakPolarHBondContact CG2-ND2 3.18Å; T72-N76 WeakPolarHBondContact O-CB 3.37Å; T72-N76 VanDerWaalsContact O-CG 3.3Å; T72-N76 PolarHBondContact O-N 2.87Å; T72-N76 PolarHBondContact O-ND2 2.99Å; E73-N76 PolarHBondContact O-N 3.24Å; I74-N76 VanDerWaalsContact C-N 3.31Å; I74-N76 PolarHBondContact O-N 3.12Å
77	S	64	Low	76.3	Confident	39 Å²	39	80.9 Å²	80.9	27%	0.273	43%	0.433	S	S	.	.			trans	-75.4	130.9	-169.4	67.1	0	0	0	0	114	E73 I74	E73-S77 VanDerWaalsContact O-CB 3.28Å; E73-S77 WeakPolarHBondContact O-CB 3.41Å; E73-S77 PolarHBondContact O-N 2.68Å; I74-S77 WeakPolarHBondContact O-CB 3.33Å; I74-S77 PolarHBondContact O-N 2.65Å; I74-S77 PolarHBondContact O-OG 3.44Å
78	K	60.3	Low	75.9	Confident	213 Å²	213	84.2 Å²	84.2	93%	0.926	45%	0.451	S	S	*	.			trans	-105.6	41.9	152.8	-67.9	-174.7	178.2	-179.4	0	109.5
79	L	57.6	Low	74.9	Confident	86 Å²	86	84.3 Å²	84.3	45%	0.45	45%	0.448	S	S	.	.			trans	-85.9	157.2	-169.5	-69.7	171.5	0	0	0	112.2	F87	L79-F87 HydrophobicContact CD1-CD2 3.94Å; L79-F87 HydrophobicContact CD1-CE2 3.57Å
80	N	61.5	Low	74	Confident	127 Å²	127	83.7 Å²	83.7	68%	0.679	45%	0.449	S	S	*	.			trans	-65.2	153.9	172.3	-62.1	-19.1	0	0	0	110.3	D82 S83 L84	N80-D82 VanDerWaalsContact C-N 3.27Å; N80-D82 PolarHBondContact O-N 3.17Å; N80-D82 VanDerWaalsContact O-N 3.16Å; N80-S83 PolarHBondContact O-N 3.41Å; N80-L84 PolarHBondContact O-N 3.29Å
81	G	61.6	Low	73.5	Confident	56 Å²	56	84.6 Å²	84.6	58%	0.577	45%	0.454	S	S	*	.	H	α-helix	trans	-55.6	-35.9	-171.8	0	0	0	0	0	115	L84 K85	G81-L84 PolarHBondContact O-N 3.16Å; G81-K85 PolarHBondContact O-N 3.08Å; G81-K85 VanDerWaalsContact O-N 3.14Å
82	D	61.5	Low	72.6	Confident	128 Å²	128	84.2 Å²	84.2	68%	0.684	46%	0.459	S	S	*	.	H	α-helix	trans	-67.4	-48.9	-178.7	-57	-35.5	0	0	0	111.8	N80 L84 K85 D86	N80-D82 VanDerWaalsContact C-N 3.27Å; N80-D82 PolarHBondContact O-N 3.17Å; N80-D82 VanDerWaalsContact O-N 3.16Å; D82-L84 VanDerWaalsContact C-N 3.27Å; D82-L84 PolarHBondContact O-N 3.28Å; D82-K85 WeakPolarHBondContact O-CA 3.38Å; D82-K85 VanDerWaalsContact O-CB 3.3Å; D82-K85 WeakPolarHBondContact O-CB 3.27Å; D82-K85 PolarHBondContact O-N 3.17Å; D82-D86 PolarHBondContact O-N 3.41Å
83	S	66	Low	71.3	Confident	48 Å²	48	85.3 Å²	85.3	34%	0.336	46%	0.462	S	S	.	.	H	α-helix	trans	-64.8	-31.3	178.1	-50.4	0	0	0	0	112.7	N80 K85 F87	N80-S83 PolarHBondContact O-N 3.41Å; S83-K85 VanDerWaalsContact C-N 3.31Å; S83-F87 WeakPolarHBondContact O-CD2 3.37Å; S83-F87 PolarHBondContact O-N 3.47Å; S83-F87 VanDerWaalsContact O-N 3.16Å
84	L	75.3	Confident	70.6	Confident	60 Å²	60	82.4 Å²	82.4	31%	0.314	45%	0.449	S	S	.	.	H	α-helix	trans	-66.5	-35.1	173.3	-178.4	63.2	0	0	0	111.3	I74 N80 G81 D82 N88	I74-L84 HydrophobicContact CG1-CD1 4.36Å; I74-L84 HydrophobicContact CG2-CD1 4.07Å; N80-L84 PolarHBondContact O-N 3.29Å; G81-L84 PolarHBondContact O-N 3.16Å; D82-L84 VanDerWaalsContact C-N 3.27Å; D82-L84 PolarHBondContact O-N 3.28Å; L84-N88 PolarHBondContact O-N 3.32Å; L84-N88 PolarHBondContact O-ND2 3.35Å
85	K	73.8	Confident	69.8	Low	128 Å²	128	83.1 Å²	83.1	56%	0.557	45%	0.453	S	S	*	.	H	α-helix	trans	-66.1	-50.4	174.2	-170.9	-166.4	169.7	-161.3	0	110.7	G81 D82 S83 F87 N88 D89	G81-K85 PolarHBondContact O-N 3.08Å; G81-K85 VanDerWaalsContact O-N 3.14Å; D82-K85 WeakPolarHBondContact O-CA 3.38Å; D82-K85 VanDerWaalsContact O-CB 3.3Å; D82-K85 WeakPolarHBondContact O-CB 3.27Å; D82-K85 PolarHBondContact O-N 3.17Å; S83-K85 VanDerWaalsContact C-N 3.31Å; K85-F87 VanDerWaalsContact C-N 3.29Å; K85-F87 PolarHBondContact O-N 3.5Å; K85-N88 PolarHBondContact O-N 2.85Å; K85-D89 WeakPolarHBondContact CE-OD2 3.19Å; K85-D89 PolarHBondContact O-N 3.25Å
86	D	73.4	Confident	68.9	Low	99 Å²	99	84 Å²	84	53%	0.529	44%	0.443	S	S	.	.	H	α-helix	trans	-55.1	-43.9	-179.5	-62.3	-26.3	0	0	0	112	D82 N88 D89 E90	D82-D86 PolarHBondContact O-N 3.41Å; D86-N88 PolarHBondContact O-N 3.23Å; D86-D89 PolarHBondContact O-N 2.75Å; D86-E90 WeakPolarHBondContact O-CB 3.14Å; D86-E90 PolarHBondContact O-N 3.16Å
87	F	79.5	Confident	68.3	Low	49 Å²	49	79 Å²	79	22%	0.215	42%	0.416	C	S	.	.	H	α-helix	trans	-68.5	-29.8	176.5	-71.1	-50.5	0	0	0	114.2	L70 I74 L79 S83 K85 L91	L70-F87 HydrophobicContact CD2-CB 4.49Å; L70-F87 HydrophobicContact CD2-CD1 3.58Å; L70-F87 HydrophobicContact CD2-CE1 4.26Å; L70-F87 HydrophobicContact CD2-CG 4.44Å; I74-F87 HydrophobicContact CD1-CB 4.19Å; I74-F87 HydrophobicContact CG1-CB 3.9Å; L79-F87 HydrophobicContact CD1-CD2 3.94Å; L79-F87 HydrophobicContact CD1-CE2 3.57Å; S83-F87 WeakPolarHBondContact O-CD2 3.37Å; S83-F87 PolarHBondContact O-N 3.47Å; S83-F87 VanDerWaalsContact O-N 3.16Å; K85-F87 VanDerWaalsContact C-N 3.29Å; K85-F87 PolarHBondContact O-N 3.5Å; F87-L91 VanDerWaalsContact O-CB 3.23Å; F87-L91 WeakPolarHBondContact O-CB 3.47Å; F87-L91 PolarHBondContact O-N 2.92Å
88	N	80.3	Confident	68.6	Low	71 Å²	71	78 Å²	78	38%	0.38	41%	0.408	S	S	.	.	H	α-helix	trans	-73.5	-39.8	173.7	-81.4	-68.6	0	0	0	111.5	L84 K85 D86 L91 L92	L84-N88 PolarHBondContact O-N 3.32Å; L84-N88 PolarHBondContact O-ND2 3.35Å; K85-N88 PolarHBondContact O-N 2.85Å; D86-N88 PolarHBondContact O-N 3.23Å; N88-L91 PolarHBondContact O-N 3.47Å; N88-L92 WeakPolarHBondContact O-CB 3.32Å; N88-L92 PolarHBondContact O-N 2.76Å
89	D	69.9	Low	69	Low	84 Å²	84	72.4 Å²	72.4	45%	0.449	39%	0.387	S	S	.	.	H	α-helix	trans	-65.2	-41.1	176.4	-68	-11.8	0	0	0	110.5	K85 D86 L92 L93	K85-D89 WeakPolarHBondContact CE-OD2 3.19Å; K85-D89 PolarHBondContact O-N 3.25Å; D86-D89 PolarHBondContact O-N 2.75Å; D89-L92 PolarHBondContact O-N 2.81Å; D89-L93 PolarHBondContact O-N 3.33Å; D89-L93 VanDerWaalsContact O-N 3.16Å
90	E	73.3	Confident	69.4	Low	79 Å²	79	71.7 Å²	71.7	37%	0.369	38%	0.383	S	S	.	.	H	α-helix	trans	-66.7	-37.4	173.6	-163.5	-178.5	-176.1	0	0	112.5	L70 D86 L93 C94	L70-E90 HydrophobicContact CD1-CB 4.05Å; L70-E90 HydrophobicContact CD1-CG 3.79Å; L70-E90 HydrophobicContact CD2-CB 4.35Å; L70-E90 HydrophobicContact CD2-CG 4.37Å; L70-E90 WeakPolarHBondContact CD2-OE2 3.34Å; D86-E90 WeakPolarHBondContact O-CB 3.14Å; D86-E90 PolarHBondContact O-N 3.16Å; E90-L93 PolarHBondContact O-N 3.04Å; E90-C94 PolarHBondContact O-N 3.29Å; E90-C94 PolarHBondContact O-SG 2.81Å
91	L	78.1	Confident	70.2	Confident	20 Å²	20	66.5 Å²	66.5	11%	0.105	35%	0.354	C	S	.	.	H	α-helix	trans	-66.3	-42.5	176.5	174.7	60.2	0	0	0	111.8	A67 L70 R71 I74 F87 N88 L93 C94 D95	A67-L91 HydrophobicContact CB-CD1 3.67Å; L70-L91 HydrophobicContact CB-CB 4.16Å; L70-L91 HydrophobicContact CB-CD1 4.24Å; L70-L91 HydrophobicContact CD1-CB 4.29Å; R71-L91 HydrophobicContact CG-CD1 3.85Å; R71-L91 HydrophobicContact CG-CD2 3.59Å; R71-L91 HydrophobicContact CG-CG 4.4Å; I74-L91 HydrophobicContact CD1-CB 4.41Å; I74-L91 HydrophobicContact CD1-CD2 3.78Å; F87-L91 VanDerWaalsContact O-CB 3.23Å; F87-L91 WeakPolarHBondContact O-CB 3.47Å; F87-L91 PolarHBondContact O-N 2.92Å; N88-L91 PolarHBondContact O-N 3.47Å; L91-L93 VanDerWaalsContact C-N 3.35Å; L91-C94 WeakPolarHBondContact O-CB 3.31Å; L91-C94 PolarHBondContact O-N 2.77Å; L91-D95 PolarHBondContact O-N 2.9Å
92	L	70.3	Confident	71.2	Confident	100 Å²	100	67.1 Å²	67.1	52%	0.524	35%	0.345	S	S	.	.	H	α-helix	trans	-58.1	-48.9	175.2	179	62.7	0	0	0	110.5	N88 D89 C94 D95 E96	N88-L92 WeakPolarHBondContact O-CB 3.32Å; N88-L92 PolarHBondContact O-N 2.76Å; D89-L92 PolarHBondContact O-N 2.81Å; L92-C94 VanDerWaalsContact C-N 3.27Å; L92-C94 PolarHBondContact O-N 3.13Å; L92-D95 PolarHBondContact O-N 2.9Å; L92-D95 VanDerWaalsContact O-N 3.15Å; L92-E96 HydrophobicContact CD1-CG 4.49Å; L92-E96 WeakPolarHBondContact O-CG 3.13Å; L92-E96 PolarHBondContact O-N 3.43Å
93	L	62.3	Low	71.5	Confident	94 Å²	94	63.9 Å²	63.9	49%	0.492	34%	0.336	S	S	.	.	H	α-helix	trans	-59.9	-36.4	176.9	-176.8	64.1	0	0	0	112.4	D89 E90 L91 N97	D89-L93 PolarHBondContact O-N 3.33Å; D89-L93 VanDerWaalsContact O-N 3.16Å; E90-L93 PolarHBondContact O-N 3.04Å; L91-L93 VanDerWaalsContact C-N 3.35Å; L93-N97 WeakPolarHBondContact O-CB 3.39Å; L93-N97 PolarHBondContact O-N 3.21Å; L93-N97 VanDerWaalsContact O-N 3.08Å; L93-N97 PolarHBondContact O-ND2 2.97Å
94	C	69.1	Low	72.1	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.034	33%	0.333	C	S	.	.	H	α-helix	trans	-66.7	-44.1	174.7	-69	0	0	0	0	112.4	Y63 A67 E90 L91 L92 N97 L98	Y63-C94 HydrophobicContact CD1-CB 4.17Å; A67-C94 HydrophobicContact CB-CB 3.91Å; E90-C94 PolarHBondContact O-N 3.29Å; E90-C94 PolarHBondContact O-SG 2.81Å; L91-C94 WeakPolarHBondContact O-CB 3.31Å; L91-C94 PolarHBondContact O-N 2.77Å; L92-C94 VanDerWaalsContact C-N 3.27Å; L92-C94 PolarHBondContact O-N 3.13Å; C94-N97 PolarHBondContact O-N 3.46Å; C94-L98 WeakPolarHBondContact O-CG 3.36Å; C94-L98 PolarHBondContact O-N 3.15Å
95	D	68.4	Low	72.6	Confident	51 Å²	51	63.2 Å²	63.2	27%	0.273	32%	0.323	S	S	.	.	H	α-helix	trans	-68.3	-37.5	179.3	-80.1	-23.2	0	0	0	112.4	R71 L91 L92 L98 I99	R71-D95 IonicContact CZ-OD1 2.78Å; R71-D95 IonicContact CZ-OD2 2.72Å; R71-D95 IonicContact NH1-OD1 2.8Å; R71-D95 IonicContact NH2-OD1 3.76Å; R71-D95 PolarHBondContact NH2-OD1 2.97Å; R71-D95 IonicContact NH2-OD2 2.72Å; R71-D95 PolarHBondContact NH2-OD2 3.45Å; L91-D95 PolarHBondContact O-N 2.9Å; L92-D95 PolarHBondContact O-N 2.9Å; L92-D95 VanDerWaalsContact O-N 3.15Å; D95-L98 WeakPolarHBondContact O-CB 3.49Å; D95-L98 PolarHBondContact O-N 3.43Å; D95-I99 WeakPolarHBondContact O-CG1 3.47Å; D95-I99 PolarHBondContact O-N 2.73Å; D95-I99 VanDerWaalsContact O-N 3.11Å
96	E	62.8	Low	72.9	Confident	100 Å²	100	63.4 Å²	63.4	47%	0.467	33%	0.325	S	S	.	.	H	α-helix	trans	-61.3	-49.5	171.2	-72.7	-177.2	162.5	0	0	112	L92 L98 I99 I100	L92-E96 HydrophobicContact CD1-CG 4.49Å; L92-E96 WeakPolarHBondContact O-CG 3.13Å; L92-E96 PolarHBondContact O-N 3.43Å; E96-L98 VanDerWaalsContact C-N 3.26Å; E96-L98 PolarHBondContact O-N 3.47Å; E96-I99 PolarHBondContact O-N 3Å; E96-I99 VanDerWaalsContact O-N 3.12Å; E96-I100 WeakPolarHBondContact O-CG1 3.4Å; E96-I100 PolarHBondContact O-N 3.12Å
97	N	64.9	Low	73.2	Confident	21 Å²	21	64 Å²	64	11%	0.112	32%	0.32	C	S	.	.	H	α-helix	trans	-59.5	-38.2	176.4	-85.3	-72.6	0	0	0	111.6	Y63 L93 C94 I99 I100 Y101	Y63-N97 HydrophobicContact CD1-CB 3.91Å; Y63-N97 HydrophobicContact CD2-CB 3.93Å; Y63-N97 HydrophobicContact CE1-CB 3.88Å; Y63-N97 HydrophobicContact CE2-CB 3.95Å; Y63-N97 HydrophobicContact CG-CB 3.93Å; L93-N97 WeakPolarHBondContact O-CB 3.39Å; L93-N97 PolarHBondContact O-N 3.21Å; L93-N97 VanDerWaalsContact O-N 3.08Å; L93-N97 PolarHBondContact O-ND2 2.97Å; C94-N97 PolarHBondContact O-N 3.46Å; N97-I99 PolarHBondContact O-N 3.39Å; N97-I100 PolarHBondContact O-N 3.15Å; N97-Y101 HydrophobicContact CB-CD2 4.21Å; N97-Y101 HydrophobicContact CB-CE2 4.12Å; N97-Y101 WeakPolarHBondContact O-CD2 3.39Å; N97-Y101 PolarHBondContact O-N 3.32Å
98	L	71.7	Confident	73.6	Confident	18 Å²	18	61.7 Å²	61.7	9%	0.094	31%	0.31	C	S	.	.	H	α-helix	trans	-59.8	-44.4	174.1	-78.4	174.8	0	0	0	112.9	I60 Q64 A67 C94 D95 E96 I100 N102	I60-L98 HydrophobicContact CG2-CD2 4.11Å; I60-L98 VanDerWaalsContact O-CD2 3.25Å; I60-L98 WeakPolarHBondContact O-CD2 3.42Å; Q64-L98 HydrophobicContact CB-CD2 4.33Å; Q64-L98 HydrophobicContact CG-CD1 3.89Å; Q64-L98 HydrophobicContact CG-CD2 3.7Å; Q64-L98 HydrophobicContact CG-CG 4.46Å; A67-L98 HydrophobicContact CB-CD1 4.4Å; C94-L98 WeakPolarHBondContact O-CG 3.36Å; C94-L98 PolarHBondContact O-N 3.15Å; D95-L98 WeakPolarHBondContact O-CB 3.49Å; D95-L98 PolarHBondContact O-N 3.43Å; E96-L98 VanDerWaalsContact C-N 3.26Å; E96-L98 PolarHBondContact O-N 3.47Å; L98-I100 VanDerWaalsContact C-N 3.34Å; L98-N102 WeakPolarHBondContact O-CB 3.44Å; L98-N102 PolarHBondContact O-N 2.8Å; L98-N102 PolarHBondContact O-ND2 2.92Å
99	I	68	Low	74	Confident	96 Å²	96	62.1 Å²	62.1	49%	0.492	31%	0.312	S	S	.	.	H	α-helix	trans	-60.2	-48.1	177	-66.7	163.3	0	0	0	109.7	D95 E96 N97 N102 A103	D95-I99 WeakPolarHBondContact O-CG1 3.47Å; D95-I99 PolarHBondContact O-N 2.73Å; D95-I99 VanDerWaalsContact O-N 3.11Å; E96-I99 PolarHBondContact O-N 3Å; E96-I99 VanDerWaalsContact O-N 3.12Å; N97-I99 PolarHBondContact O-N 3.39Å; I99-N102 PolarHBondContact O-N 3.08Å; I99-A103 WeakPolarHBondContact O-CB 3.37Å; I99-A103 PolarHBondContact O-N 2.94Å
100	I	66.8	Low	74.6	Confident	72 Å²	72	64.3 Å²	64.3	37%	0.369	32%	0.318	S	S	.	.	H	α-helix	trans	-61.6	-48.4	-179	-63	165.8	0	0	0	111.4	E96 N97 L98 A103 R104 L274	E96-I100 WeakPolarHBondContact O-CG1 3.4Å; E96-I100 PolarHBondContact O-N 3.12Å; N97-I100 PolarHBondContact O-N 3.15Å; L98-I100 VanDerWaalsContact C-N 3.34Å; I100-A103 PolarHBondContact O-N 2.97Å; I100-R104 WeakPolarHBondContact O-CG 3.21Å; I100-R104 PolarHBondContact O-N 3.44Å; I100-L274 HydrophobicContact CG2-CD1 4Å; I100-L274 HydrophobicContact CG2-CD2 3.57Å; I100-L274 HydrophobicContact CG2-CG 4.46Å
101	Y	77.8	Confident	75	Confident	18 Å²	18	61 Å²	61	7%	0.071	30%	0.303	C	S	.	.	H	α-helix	trans	-69.8	-35.5	-178.5	-72.9	-60.5	0	0	0	113.1	F56 C59 Y63 N97 R104 L105 P273 L274	F56-Y101 AromaticContact CD1-CD1 3.9Å; F56-Y101 HydrophobicContact CD1-CD1 3.9Å; F56-Y101 HydrophobicContact CD1-CE1 4.46Å; F56-Y101 HydrophobicContact CE1-CD1 4.35Å; C59-Y101 HydrophobicContact CB-CD1 3.79Å; C59-Y101 HydrophobicContact CB-CD2 3.81Å; C59-Y101 HydrophobicContact CB-CE1 3.88Å; C59-Y101 HydrophobicContact CB-CE2 3.97Å; C59-Y101 HydrophobicContact CB-CG 3.76Å; Y63-Y101 AromaticContact CD2-CD2 3.91Å; Y63-Y101 HydrophobicContact CD2-CD2 3.91Å; Y63-Y101 AromaticContact CD2-CE2 3.84Å; Y63-Y101 HydrophobicContact CD2-CE2 3.84Å; Y63-Y101 AromaticContact CE2-CD2 3.98Å; Y63-Y101 HydrophobicContact CE2-CD2 3.98Å; Y63-Y101 AromaticContact CE2-CE2 3.41Å; Y63-Y101 HydrophobicContact CE2-CE2 3.41Å; Y63-Y101 VanDerWaalsContact CE2-CE2 3.41Å; N97-Y101 HydrophobicContact CB-CD2 4.21Å; N97-Y101 HydrophobicContact CB-CE2 4.12Å; N97-Y101 WeakPolarHBondContact O-CD2 3.39Å; N97-Y101 PolarHBondContact O-N 3.32Å; Y101-R104 PolarHBondContact O-N 3Å; Y101-L105 WeakPolarHBondContact O-CB 3.36Å; Y101-L105 PolarHBondContact O-N 2.93Å; Y101-P273 HydrophobicContact CE1-CG 3.7Å; Y101-L274 HydrophobicContact CD1-CD2 4.32Å; Y101-L274 HydrophobicContact CE1-CD1 4.22Å; Y101-L274 HydrophobicContact CE1-CD2 3.82Å; Y101-L274 HydrophobicContact CE1-CG 3.94Å; Y101-L274 HydrophobicContact CE2-CD1 4.34Å
102	N	81.6	Confident	75.4	Confident	69 Å²	69	63 Å²	63	37%	0.369	31%	0.309	S	S	.	.	H	α-helix	trans	-64.9	-40.6	172	-80.8	-74.2	0	0	0	111.5	L98 I99 L105 H106	L98-N102 WeakPolarHBondContact O-CB 3.44Å; L98-N102 PolarHBondContact O-N 2.8Å; L98-N102 PolarHBondContact O-ND2 2.92Å; I99-N102 PolarHBondContact O-N 3.08Å; N102-L105 PolarHBondContact O-N 3.37Å; N102-H106 WeakPolarHBondContact O-CB 3.46Å; N102-H106 PolarHBondContact O-N 2.9Å
103	A	69.1	Low	76	Confident	60 Å²	60	63.5 Å²	63.5	50%	0.496	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-42	174.8	0	0	0	0	0	112.4	I99 I100 H106 R107	I99-A103 WeakPolarHBondContact O-CB 3.37Å; I99-A103 PolarHBondContact O-N 2.94Å; I100-A103 PolarHBondContact O-N 2.97Å; A103-H106 PolarHBondContact O-N 2.72Å; A103-R107 PolarHBondContact O-N 2.88Å
104	R	77.8	Confident	76.8	Confident	76 Å²	76	60.1 Å²	60.1	29%	0.287	29%	0.293	S	S	.	.	H	α-helix	trans	-64.3	-43	175.3	-70	-74.6	176.6	175.4	-3.4	112.3	F56 I100 Y101 H106 R107 L108 L274	F56-R104 HydrophobicContact CD1-CB 4.12Å; F56-R104 HydrophobicContact CE1-CB 3.72Å; F56-R104 HydrophobicContact CE1-CG 4.34Å; F56-R104 HydrophobicContact CE2-CB 4.36Å; F56-R104 HydrophobicContact CZ-CB 3.87Å; I100-R104 WeakPolarHBondContact O-CG 3.21Å; I100-R104 PolarHBondContact O-N 3.44Å; Y101-R104 PolarHBondContact O-N 3Å; R104-H106 VanDerWaalsContact C-N 3.34Å; R104-H106 PolarHBondContact O-N 2.88Å; R104-R107 PolarHBondContact O-N 3.29Å; R104-L108 WeakPolarHBondContact O-CB 3.31Å; R104-L108 PolarHBondContact O-N 3.19Å; R104-L274 HydrophobicContact CG-CD2 4.33Å
105	L	86.4	Confident	77.4	Confident	18 Å²	18	61.9 Å²	61.9	9%	0.094	30%	0.299	C	S	.	.	H	α-helix	trans	-63.7	-38.9	173.9	-179.5	60.1	0	0	0	111.9	A53 F56 K57 I60 Y101 N102 L108 N109	A53-L105 HydrophobicContact CB-CD1 4.21Å; F56-L105 HydrophobicContact CB-CB 4.12Å; F56-L105 HydrophobicContact CB-CD1 4.29Å; K57-L105 HydrophobicContact CG-CD2 3.86Å; I60-L105 HydrophobicContact CD1-CB 4.11Å; I60-L105 HydrophobicContact CD1-CD2 3.59Å; Y101-L105 WeakPolarHBondContact O-CB 3.36Å; Y101-L105 PolarHBondContact O-N 2.93Å; N102-L105 PolarHBondContact O-N 3.37Å; L105-L108 HydrophobicContact CD1-CD2 4.41Å; L105-L108 PolarHBondContact O-N 3.16Å; L105-N109 PolarHBondContact O-N 3.5Å; L105-N109 PolarHBondContact O-ND2 3.05Å
106	H	79.4	Confident	78	Confident	132 Å²	132	66.1 Å²	66.1	61%	0.611	32%	0.315	S	S	*	.	H	α-helix	trans	-65.2	-44.1	174.8	-177.4	-89.9	0	0	0	112.2	N102 A103 R104 L108 N109 K110	N102-H106 WeakPolarHBondContact O-CB 3.46Å; N102-H106 PolarHBondContact O-N 2.9Å; A103-H106 PolarHBondContact O-N 2.72Å; R104-H106 VanDerWaalsContact C-N 3.34Å; R104-H106 PolarHBondContact O-N 2.88Å; H106-L108 VanDerWaalsContact C-N 3.34Å; H106-L108 PolarHBondContact O-N 3.32Å; H106-N109 PolarHBondContact O-N 3.01Å; H106-K110 PolarHBondContact O-N 3.21Å
107	R	80.1	Confident	78.6	Confident	110 Å²	110	64.3 Å²	64.3	42%	0.415	31%	0.314	S	S	.	.	H	α-helix	trans	-58.6	-45	173.3	-178.4	171.4	175.9	153.9	-2.2	111.1	A103 R104 K110 L111 E153 L157	A103-R107 PolarHBondContact O-N 2.88Å; R104-R107 PolarHBondContact O-N 3.29Å; R107-K110 PolarHBondContact O-N 3.38Å; R107-L111 VanDerWaalsContact O-CB 3.3Å; R107-L111 WeakPolarHBondContact O-CB 3.29Å; R107-L111 PolarHBondContact O-N 2.89Å; R107-E153 IonicContact CZ-OE2 2.78Å; R107-E153 IonicContact NE-OE2 2.76Å; R107-E153 PolarHBondContact NE-OE2 3.07Å; R107-E153 VanDerWaalsContact NH2-CD 3.3Å; R107-E153 IonicContact NH2-OE1 2.93Å; R107-E153 PolarHBondContact NH2-OE1 3.25Å; R107-E153 IonicContact NH2-OE2 3.23Å; R107-E153 PolarHBondContact NH2-OE2 2.66Å; R107-L157 HydrophobicContact CG-CD2 4.46Å
108	L	88.4	Confident	78.6	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-45.3	176	-176.1	75.1	0	0	0	112.3	F49 L52 A53 F56 R104 L105 H106 L111 Y112 L154 L157	F49-L108 HydrophobicContact CD1-CD1 3.56Å; F49-L108 HydrophobicContact CD1-CG 4.06Å; F49-L108 HydrophobicContact CE1-CD1 3.87Å; L52-L108 HydrophobicContact CB-CD1 3.92Å; L52-L108 HydrophobicContact CB-CD2 3.55Å; L52-L108 HydrophobicContact CB-CG 4.41Å; L52-L108 HydrophobicContact CD1-CD1 3.69Å; L52-L108 HydrophobicContact CG-CD1 4.47Å; A53-L108 HydrophobicContact CB-CD2 3.82Å; A53-L108 VanDerWaalsContact N-CD2 3.31Å; F56-L108 HydrophobicContact CD2-CD2 4.02Å; F56-L108 HydrophobicContact CE2-CD2 4.28Å; R104-L108 WeakPolarHBondContact O-CB 3.31Å; R104-L108 PolarHBondContact O-N 3.19Å; L105-L108 HydrophobicContact CD1-CD2 4.41Å; L105-L108 PolarHBondContact O-N 3.16Å; H106-L108 VanDerWaalsContact C-N 3.34Å; H106-L108 PolarHBondContact O-N 3.32Å; L108-L111 PolarHBondContact O-N 3.03Å; L108-Y112 WeakPolarHBondContact O-CB 3.27Å; L108-Y112 PolarHBondContact O-N 3.48Å; L108-L154 HydrophobicContact CD1-CD2 4.24Å; L108-L157 HydrophobicContact CB-CD1 4.27Å; L108-L157 HydrophobicContact CD1-CD1 3.77Å
109	N	87.8	Confident	77.8	Confident	79 Å²	79	68.4 Å²	68.4	42%	0.422	34%	0.338	S	S	.	.	H	α-helix	trans	-64.3	-44	178.2	-68.4	-28.1	0	0	0	111.6	L105 H106 L111 Y112 E113	L105-N109 PolarHBondContact O-N 3.5Å; L105-N109 PolarHBondContact O-ND2 3.05Å; H106-N109 PolarHBondContact O-N 3.01Å; N109-L111 VanDerWaalsContact C-N 3.32Å; N109-L111 PolarHBondContact O-N 3.11Å; N109-Y112 PolarHBondContact O-N 3.35Å; N109-E113 PolarHBondContact O-N 2.66Å
110	K	82.1	Confident	76.9	Confident	130 Å²	130	66.5 Å²	66.5	57%	0.565	33%	0.325	S	S	*	.	H	α-helix	trans	-59.9	-43.5	175	-177.3	-178.9	175.6	-172.7	0	111.2	H106 R107 E113 S114	H106-K110 PolarHBondContact O-N 3.21Å; R107-K110 PolarHBondContact O-N 3.38Å; K110-E113 PolarHBondContact O-N 3.13Å; K110-S114 PolarHBondContact O-N 2.95Å
111	L	82.6	Confident	75.9	Confident	11 Å²	11	67.1 Å²	67.1	6%	0.058	34%	0.335	C	S	.	.	H	α-helix	trans	-62.6	-41.4	176.9	-170.4	69.9	0	0	0	111.6	F49 R107 L108 N109 S114 Y115 Y120 I150 E153 L154 L157	F49-L111 HydrophobicContact CE1-CB 4.13Å; F49-L111 HydrophobicContact CE1-CD2 4Å; F49-L111 HydrophobicContact CE1-CG 4.05Å; F49-L111 HydrophobicContact CZ-CB 4.49Å; F49-L111 HydrophobicContact CZ-CD2 4.09Å; F49-L111 HydrophobicContact CZ-CG 3.99Å; R107-L111 VanDerWaalsContact O-CB 3.3Å; R107-L111 WeakPolarHBondContact O-CB 3.29Å; R107-L111 PolarHBondContact O-N 2.89Å; L108-L111 PolarHBondContact O-N 3.03Å; N109-L111 VanDerWaalsContact C-N 3.32Å; N109-L111 PolarHBondContact O-N 3.11Å; L111-S114 PolarHBondContact O-N 3.34Å; L111-Y115 WeakPolarHBondContact O-CB 3.48Å; L111-Y115 PolarHBondContact O-N 3.43Å; L111-Y120 HydrophobicContact CD1-CE2 4.34Å; L111-Y120 WeakPolarHBondContact CD1-OH 3.48Å; L111-I150 HydrophobicContact CD1-CD1 3.51Å; L111-I150 HydrophobicContact CD2-CD1 3.97Å; L111-I150 HydrophobicContact CG-CD1 3.51Å; L111-E153 HydrophobicContact CD1-CB 4.05Å; L111-E153 HydrophobicContact CD1-CG 4.26Å; L111-E153 HydrophobicContact CD2-CB 3.77Å; L111-L154 HydrophobicContact CD2-CD2 4.28Å; L111-L154 HydrophobicContact CD2-CG 4.43Å; L111-L157 HydrophobicContact CD2-CD1 3.82Å
112	Y	86.9	Confident	74.1	Confident	61 Å²	61	73.8 Å²	73.8	24%	0.239	37%	0.367	C	S	.	.	H	α-helix	trans	-65	-41.6	176	-176.4	-111.2	0	0	0	112.8	F49 L108 N109 Y115 K116	F49-Y112 HydrophobicContact CB-CD2 3.88Å; F49-Y112 HydrophobicContact CB-CE2 4.32Å; F49-Y112 AromaticContact CD1-CD2 3.87Å; F49-Y112 HydrophobicContact CD1-CD2 3.87Å; F49-Y112 HydrophobicContact CD1-CG 4.21Å; F49-Y112 AromaticContact CD2-CD2 3.71Å; F49-Y112 HydrophobicContact CD2-CD2 3.71Å; F49-Y112 HydrophobicContact CD2-CE2 4.34Å; F49-Y112 HydrophobicContact CE1-CD2 4.29Å; F49-Y112 HydrophobicContact CE2-CD2 4.14Å; F49-Y112 AromaticContact CG-CD2 3.56Å; F49-Y112 HydrophobicContact CG-CD2 3.56Å; F49-Y112 HydrophobicContact CG-CE2 4.35Å; F49-Y112 HydrophobicContact CG-CG 4.34Å; F49-Y112 HydrophobicContact CZ-CD2 4.42Å; L108-Y112 WeakPolarHBondContact O-CB 3.27Å; L108-Y112 PolarHBondContact O-N 3.48Å; N109-Y112 PolarHBondContact O-N 3.35Å; Y112-Y115 HydrophobicContact CD2-CD1 4.48Å; Y112-Y115 WeakPolarHBondContact O-CB 3.46Å; Y112-Y115 PolarHBondContact O-N 3.33Å; Y112-K116 HydrophobicContact CE1-CD 4.21Å; Y112-K116 VanDerWaalsContact O-CB 3.26Å; Y112-K116 WeakPolarHBondContact O-CB 3.25Å; Y112-K116 PolarHBondContact O-N 3.25Å
113	E	83.4	Confident	72.1	Confident	110 Å²	110	76 Å²	76	51%	0.514	38%	0.377	S	S	.	.	H	α-helix	trans	-67.3	-39.5	175.6	-68	-57.7	146.6	0	0	112.1	N109 K110 K116 S117	N109-E113 PolarHBondContact O-N 2.66Å; K110-E113 PolarHBondContact O-N 3.13Å; E113-K116 PolarHBondContact O-N 3.49Å; E113-S117 VanDerWaalsContact O-CB 3.24Å; E113-S117 WeakPolarHBondContact O-CB 3.25Å; E113-S117 PolarHBondContact O-N 2.94Å; E113-S117 PolarHBondContact O-OG 3.4Å
114	S	77.2	Confident	70.6	Confident	23 Å²	23	79.2 Å²	79.2	16%	0.161	38%	0.38	C	S	.	.	H	α-helix	trans	-68.1	-31.9	173.6	-74.3	0	0	0	0	113.2	K110 L111 S117 Q119	K110-S114 PolarHBondContact O-N 2.95Å; L111-S114 PolarHBondContact O-N 3.34Å; S114-S117 WeakPolarHBondContact CA-OG 3.33Å; S114-S117 PolarHBondContact O-OG 2.91Å; S114-Q119 PolarHBondContact O-N 2.85Å; S114-Q119 PolarHBondContact OG-OE1 3.33Å
115	Y	82.4	Confident	68.6	Low	42 Å²	42	79.9 Å²	79.9	17%	0.165	40%	0.401	C	S	.	.	H	α-helix	trans	-65.3	-54.2	170	174.4	-104.8	0	0	0	111.2	Q42 T45 E46 F49 L111 Y112 S117 G118 I150	Q42-Y115 WeakPolarHBondContact CA-OH 3.28Å; Q42-Y115 WeakPolarHBondContact CG-OH 3.4Å; T45-Y115 WeakPolarHBondContact CB-OH 3.42Å; T45-Y115 HydrophobicContact CG2-CE1 4.38Å; T45-Y115 HydrophobicContact CG2-CE2 3.86Å; E46-Y115 HydrophobicContact CG-CE1 3.99Å; F49-Y115 HydrophobicContact CE2-CD1 4.06Å; F49-Y115 HydrophobicContact CE2-CG 4.07Å; L111-Y115 WeakPolarHBondContact O-CB 3.48Å; L111-Y115 PolarHBondContact O-N 3.43Å; Y112-Y115 HydrophobicContact CD2-CD1 4.48Å; Y112-Y115 WeakPolarHBondContact O-CB 3.46Å; Y112-Y115 PolarHBondContact O-N 3.33Å; Y115-S117 VanDerWaalsContact C-N 3.35Å; Y115-S117 PolarHBondContact O-N 3.36Å; Y115-G118 PolarHBondContact O-N 2.9Å; Y115-G118 VanDerWaalsContact O-N 3.07Å; Y115-I150 HydrophobicContact CD2-CD1 4.43Å; Y115-I150 HydrophobicContact CD2-CG1 3.86Å; Y115-I150 HydrophobicContact CD2-CG2 4.42Å; Y115-I150 HydrophobicContact CE2-CG1 4.49Å; Y115-I150 HydrophobicContact CE2-CG2 4.47Å
116	K	80.6	Confident	66	Low	140 Å²	140	90.6 Å²	90.6	61%	0.609	44%	0.44	S	S	*	.	H	α-helix	trans	-66.1	-32	-176.6	-171.6	-178.2	178.6	-174.5	0	113.7	Y112 E113 G118	Y112-K116 HydrophobicContact CE1-CD 4.21Å; Y112-K116 VanDerWaalsContact O-CB 3.26Å; Y112-K116 WeakPolarHBondContact O-CB 3.25Å; Y112-K116 PolarHBondContact O-N 3.25Å; E113-K116 PolarHBondContact O-N 3.49Å; K116-G118 VanDerWaalsContact C-N 3.25Å; K116-G118 PolarHBondContact O-N 3.13Å
117	S	75.3	Confident	63.8	Low	63 Å²	63	87.8 Å²	87.8	44%	0.441	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-3.5	174.8	57.9	0	0	0	0	114	E113 S114 Y115 Q119	E113-S117 VanDerWaalsContact O-CB 3.24Å; E113-S117 WeakPolarHBondContact O-CB 3.25Å; E113-S117 PolarHBondContact O-N 2.94Å; E113-S117 PolarHBondContact O-OG 3.4Å; S114-S117 WeakPolarHBondContact CA-OG 3.33Å; S114-S117 PolarHBondContact O-OG 2.91Å; Y115-S117 VanDerWaalsContact C-N 3.35Å; Y115-S117 PolarHBondContact O-N 3.36Å; S117-Q119 PolarHBondContact O-N 3.05Å; S117-Q119 WeakPolarHBondContact OG-CG 3.39Å
118	G	64.8	Low	61.5	Low	22 Å²	22	88.1 Å²	88.1	23%	0.227	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	15	177.9	0	0	0	0	0	114.6	Y115 K116 Y120 S121 Q122	Y115-G118 PolarHBondContact O-N 2.9Å; Y115-G118 VanDerWaalsContact O-N 3.07Å; K116-G118 VanDerWaalsContact C-N 3.25Å; K116-G118 PolarHBondContact O-N 3.13Å; G118-Y120 PolarHBondContact O-N 3.44Å; G118-S121 WeakPolarHBondContact O-CB 3.45Å; G118-S121 PolarHBondContact O-N 2.99Å; G118-Q122 PolarHBondContact O-N 3.2Å
119	Q	54.8	Low	59	Low	102 Å²	102	90.2 Å²	90.2	48%	0.477	47%	0.47	S	S	.	.	H	α-helix	trans	-58.8	-36	180	-74.5	174.6	-10.9	0	0	112	S114 S117 S121 Q122 M123	S114-Q119 PolarHBondContact O-N 2.85Å; S114-Q119 PolarHBondContact OG-OE1 3.33Å; S117-Q119 PolarHBondContact O-N 3.05Å; S117-Q119 WeakPolarHBondContact OG-CG 3.39Å; Q119-S121 VanDerWaalsContact C-N 3.29Å; Q119-S121 PolarHBondContact O-N 3.18Å; Q119-Q122 PolarHBondContact O-N 3.37Å; Q119-Q122 VanDerWaalsContact O-N 3.12Å; Q119-M123 PolarHBondContact O-N 2.87Å
120	Y	49.2	Very low	56.6	Low	56 Å²	56	91.9 Å²	91.9	22%	0.22	48%	0.478	C	S	.	.	H	α-helix	trans	-63.4	-31.5	174.3	-76.4	-86.5	0	0	0	113.4	L111 G118 Q122 M123 A146 P149 I150	L111-Y120 HydrophobicContact CD1-CE2 4.34Å; L111-Y120 WeakPolarHBondContact CD1-OH 3.48Å; G118-Y120 PolarHBondContact O-N 3.44Å; Y120-Q122 VanDerWaalsContact C-N 3.34Å; Y120-M123 HydrophobicContact CD1-CE 3.28Å; Y120-M123 HydrophobicContact CE1-CE 3.6Å; Y120-M123 HydrophobicContact CG-CE 3.94Å; Y120-A146 WeakPolarHBondContact O-CB 3.33Å; Y120-P149 HydrophobicContact CD1-CB 4.37Å; Y120-P149 HydrophobicContact CE1-CB 4.32Å; Y120-I150 HydrophobicContact CE2-CD1 4.27Å
121	S	45.4	Very low	54.7	Low	85 Å²	85	89.8 Å²	89.8	59%	0.594	48%	0.48	S	S	*	.	H	α-helix	trans	-74.7	-24	174.5	-50.2	0	0	0	0	112.7	G118 Q119	G118-S121 WeakPolarHBondContact O-CB 3.45Å; G118-S121 PolarHBondContact O-N 2.99Å; Q119-S121 VanDerWaalsContact C-N 3.29Å; Q119-S121 PolarHBondContact O-N 3.18Å
122	Q	41.2	Very low	52.6	Low	158 Å²	158	93.8 Å²	93.8	74%	0.738	50%	0.498	S	S	*	.	H	α-helix	trans	-89.6	-11.2	-179.1	-65.6	-173.3	8.7	0	0	114.3	G118 Q119 Y120 K124	G118-Q122 PolarHBondContact O-N 3.2Å; Q119-Q122 PolarHBondContact O-N 3.37Å; Q119-Q122 VanDerWaalsContact O-N 3.12Å; Y120-Q122 VanDerWaalsContact C-N 3.34Å; Q122-K124 PolarHBondContact O-N 3.45Å
123	M	39.4	Very low	50.3	Low	115 Å²	115	95.5 Å²	95.5	57%	0.567	51%	0.511	S	S	*	.			trans	-67.9	-2.6	178.8	-81.1	-165.4	-76.1	0	0	115.1	Q119 Y120 A125	Q119-M123 PolarHBondContact O-N 2.87Å; Y120-M123 HydrophobicContact CD1-CE 3.28Å; Y120-M123 HydrophobicContact CE1-CE 3.6Å; Y120-M123 HydrophobicContact CG-CE 3.94Å; M123-A125 PolarHBondContact O-N 2.95Å
124	K	38.3	Very low	48.4	Very low	129 Å²	129	98.1 Å²	98.1	56%	0.561	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	23.6	-171.1	-142.1	-179.4	-168.7	-179	0	116.1	Q122 D143 S145	Q122-K124 PolarHBondContact O-N 3.45Å; K124-D143 IonicContact NZ-OD1 2.62Å; K124-D143 PolarHBondContact NZ-OD1 3.17Å; K124-S145 WeakPolarHBondContact CE-OG 3.33Å
125	A	35.5	Very low	46.7	Very low	90 Å²	90	100.1 Å²	100.1	74%	0.744	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.8	-1.8	-171.9	0	0	0	0	0	116.8	M123	M123-A125 PolarHBondContact O-N 2.95Å
126	R	31.8	Very low	44.6	Very low	242 Å²	242	101.5 Å²	101.5	91%	0.913	55%	0.554	S	S	*	*	S	Bend	trans	-139.2	5.5	-176.4	-77.3	-167.4	174.2	160.4	-0.6	117.9
127	S	32.3	Very low	42.5	Very low	73 Å²	73	103.7 Å²	103.7	51%	0.51	56%	0.564	S	S	.	*			trans	-94.3	110.8	162.3	54.9	0	0	0	0	110.3	E132	S127-E132 WeakPolarHBondContact CB-OE2 3.39Å; S127-E132 PolarHBondContact OG-OE1 2.85Å; S127-E132 VanDerWaalsContact OG-OE1 3.05Å; S127-E132 PolarHBondContact OG-OE2 3.49Å
128	S	32.2	Very low	41.1	Very low	118 Å²	118	107.6 Å²	107.6	83%	0.825	58%	0.579	S	S	*	*			trans	-101.6	63.9	172.8	60.6	0	0	0	0	110.4
129	S	36.2	Very low	39.7	Very low	45 Å²	45	115 Å²	115	32%	0.315	60%	0.6	S	S	.	*			trans	-89.3	141.1	167.7	82.4	0	0	0	0	110.5	S131 E132 L133	S129-S131 PolarHBondContact O-N 2.78Å; S129-E132 VanDerWaalsContact CB-OE2 3.31Å; S129-E132 WeakPolarHBondContact CB-OE2 3.32Å; S129-E132 PolarHBondContact O-N 3.25Å; S129-E132 WeakPolarHBondContact OG-CB 3.26Å; S129-E132 VanDerWaalsContact OG-CD 3.25Å; S129-E132 WeakPolarHBondContact OG-CG 3.39Å; S129-E132 PolarHBondContact OG-N 3.08Å; S129-E132 PolarHBondContact OG-OE2 2.83Å; S129-L133 PolarHBondContact O-N 3.35Å
130	L	37.3	Very low	38.7	Very low	114 Å²	114	115.6 Å²	115.6	60%	0.597	62%	0.615	S	S	*	*	H	α-helix	trans	-65.9	-25.2	179.2	-149.6	85.1	0	0	0	112	R134	L130-R134 WeakPolarHBondContact O-CG 3.47Å; L130-R134 PolarHBondContact O-N 3.3Å; L130-R134 VanDerWaalsContact O-N 3.14Å
131	S	41	Very low	38.1	Very low	87 Å²	87	122.5 Å²	122.5	61%	0.608	65%	0.646	S	S	*	*	H	α-helix	trans	-70.5	-43.1	178	-55.1	0	0	0	0	112.1	S129 R134 A135	S129-S131 PolarHBondContact O-N 2.78Å; S131-R134 PolarHBondContact O-N 2.94Å; S131-A135 PolarHBondContact O-N 3.48Å
132	E	38.9	Very low	37.6	Very low	95 Å²	95	123 Å²	123	44%	0.444	65%	0.65	S	S	.	*	H	α-helix	trans	-67.4	-37.6	174.5	-71.7	164.2	125.6	0	0	111.6	S127 S129 R134 A135 A136	S127-E132 WeakPolarHBondContact CB-OE2 3.39Å; S127-E132 PolarHBondContact OG-OE1 2.85Å; S127-E132 VanDerWaalsContact OG-OE1 3.05Å; S127-E132 PolarHBondContact OG-OE2 3.49Å; S129-E132 VanDerWaalsContact CB-OE2 3.31Å; S129-E132 WeakPolarHBondContact CB-OE2 3.32Å; S129-E132 PolarHBondContact O-N 3.25Å; S129-E132 WeakPolarHBondContact OG-CB 3.26Å; S129-E132 VanDerWaalsContact OG-CD 3.25Å; S129-E132 WeakPolarHBondContact OG-CG 3.39Å; S129-E132 PolarHBondContact OG-N 3.08Å; S129-E132 PolarHBondContact OG-OE2 2.83Å; E132-R134 VanDerWaalsContact C-N 3.34Å; E132-R134 PolarHBondContact O-N 3.41Å; E132-A135 PolarHBondContact O-N 2.73Å; E132-A136 WeakPolarHBondContact O-CB 3.47Å; E132-A136 PolarHBondContact O-N 3.46Å
133	L	39.5	Very low	37.4	Very low	96 Å²	96	120.7 Å²	120.7	50%	0.503	64%	0.643	S	S	.	*	H	α-helix	trans	-60.5	-40.6	173.3	-86.3	166.3	0	0	0	112.6	S129 A136 F137	S129-L133 PolarHBondContact O-N 3.35Å; L133-A136 PolarHBondContact O-N 3.01Å; L133-F137 PolarHBondContact O-N 3.47Å
134	R	42.9	Very low	37.5	Very low	165 Å²	165	118.1 Å²	118.1	62%	0.623	63%	0.633	S	S	*	*	H	α-helix	trans	-65.8	-42.2	173.6	-73.9	175	-179.3	162	0.4	112	L130 S131 E132 A136 F137 I138	L130-R134 WeakPolarHBondContact O-CG 3.47Å; L130-R134 PolarHBondContact O-N 3.3Å; L130-R134 VanDerWaalsContact O-N 3.14Å; S131-R134 PolarHBondContact O-N 2.94Å; E132-R134 VanDerWaalsContact C-N 3.34Å; E132-R134 PolarHBondContact O-N 3.41Å; R134-A136 VanDerWaalsContact C-N 3.32Å; R134-A136 PolarHBondContact O-N 2.79Å; R134-F137 PolarHBondContact O-N 3.33Å; R134-I138 WeakPolarHBondContact O-CG1 3.29Å; R134-I138 PolarHBondContact O-N 3.1Å
135	A	40.7	Very low	37.8	Very low	66 Å²	66	115.2 Å²	115.2	55%	0.545	63%	0.629	S	S	.	*	H	α-helix	trans	-64.2	-35.8	176.7	0	0	0	0	0	112.7	S131 E132	S131-A135 PolarHBondContact O-N 3.48Å; E132-A135 PolarHBondContact O-N 2.73Å
136	A	38.6	Very low	38.1	Very low	70 Å²	70	111.8 Å²	111.8	58%	0.579	60%	0.601	S	S	*	*	H	α-helix	trans	-72.9	-37.8	176.4	0	0	0	0	0	113.1	E132 L133 R134 I138	E132-A136 WeakPolarHBondContact O-CB 3.47Å; E132-A136 PolarHBondContact O-N 3.46Å; L133-A136 PolarHBondContact O-N 3.01Å; R134-A136 VanDerWaalsContact C-N 3.32Å; R134-A136 PolarHBondContact O-N 2.79Å; A136-I138 VanDerWaalsContact C-N 3.32Å; A136-I138 PolarHBondContact O-N 3.11Å
137	F	38	Very low	39	Very low	187 Å²	187	103 Å²	103	82%	0.82	57%	0.57	S	S	*	*	H	α-helix	trans	-69.1	-27.2	178.3	-107	-89.7	0	0	0	113.8	L133 R134	L133-F137 PolarHBondContact O-N 3.47Å; R134-F137 PolarHBondContact O-N 3.33Å
138	I	44.3	Very low	40.2	Very low	145 Å²	145	106.2 Å²	106.2	74%	0.744	58%	0.575	S	S	*	*	H	α-helix	trans	-85.5	-17.3	-175.9	-69.2	170.9	0	0	0	112.6	R134 A136	R134-I138 WeakPolarHBondContact O-CG1 3.29Å; R134-I138 PolarHBondContact O-N 3.1Å; A136-I138 VanDerWaalsContact C-N 3.32Å; A136-I138 PolarHBondContact O-N 3.11Å
139	R	36.3	Very low	41.7	Very low	177 Å²	177	103.4 Å²	103.4	67%	0.668	55%	0.554	S	S	*	*			trans	-139	111.4	-170.9	-139.7	159.1	70.8	132.6	7.9	114
140	S	33.9	Very low	43.6	Very low	115 Å²	115	101.4 Å²	101.4	80%	0.804	54%	0.539	S	S	*	.			trans	-83.9	132.4	-179.3	49.3	0	0	0	0	113.3
141	K	36.3	Very low	45.4	Very low	201 Å²	201	97.6 Å²	97.6	87%	0.874	52%	0.52	S	S	*	.	S	Bend	trans	72.9	147.1	166.5	-70.3	-175.9	172.3	-178.1	0	119.8
142	S	34.3	Very low	47	Very low	95 Å²	95	96 Å²	96	66%	0.664	51%	0.512	S	S	*	.	S	Bend	trans	69.2	151.6	176.3	70.9	0	0	0	0	119.6	V144	S142-V144 VanDerWaalsContact C-N 3.28Å; S142-V144 PolarHBondContact O-N 3.05Å
143	D	37.3	Very low	48.9	Very low	110 Å²	110	93.9 Å²	93.9	59%	0.588	50%	0.502	S	S	*	.	S	Bend	trans	-82.9	36.5	-155.8	-71.2	-65.4	0	0	0	116.6	K124 S145 Q147	K124-D143 IonicContact NZ-OD1 2.62Å; K124-D143 PolarHBondContact NZ-OD1 3.17Å; D143-S145 PolarHBondContact O-N 3.4Å; D143-S145 VanDerWaalsContact O-N 3.09Å; D143-Q147 PolarHBondContact O-OE1 2.93Å
144	V	42.4	Very low	51.1	Low	60 Å²	60	89.3 Å²	89.3	36%	0.364	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-2.6	-176.4	-172.8	0	0	0	0	113.7	S142	S142-V144 VanDerWaalsContact C-N 3.28Å; S142-V144 PolarHBondContact O-N 3.05Å
145	S	43	Very low	52.9	Low	69 Å²	69	82.4 Å²	82.4	48%	0.483	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-23.6	-178.8	59.1	0	0	0	0	113.9	K124 D143 P149	K124-S145 WeakPolarHBondContact CE-OG 3.33Å; D143-S145 PolarHBondContact O-N 3.4Å; D143-S145 VanDerWaalsContact O-N 3.09Å; S145-P149 WeakPolarHBondContact O-CD 3.47Å
146	A	42.9	Very low	54.7	Low	17 Å²	17	82.1 Å²	82.1	14%	0.14	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-23.1	-177.7	0	0	0	0	0	113.9	Y120 P149	Y120-A146 WeakPolarHBondContact O-CB 3.33Å; A146-P149 WeakPolarHBondContact O-CD 3.48Å
147	Q	49.9	Very low	56.8	Low	57 Å²	57	78.9 Å²	78.9	27%	0.266	42%	0.418	S	S	.	.	H	α-helix	trans	-70.8	-37.9	175.2	-88.1	84.9	-1.4	0	0	113.5	D143 I150 D151	D143-Q147 PolarHBondContact O-OE1 2.93Å; Q147-I150 WeakPolarHBondContact O-CG2 3.26Å; Q147-I150 PolarHBondContact O-N 2.9Å; Q147-D151 VanDerWaalsContact O-CG 3.26Å; Q147-D151 PolarHBondContact O-N 3.45Å; Q147-D151 VanDerWaalsContact O-N 3.09Å
148	K	58.3	Low	59.2	Low	141 Å²	141	70 Å²	70	61%	0.613	38%	0.379	S	S	*	.	H	α-helix	trans	-62.1	-39	-173.8	-65.9	-169.6	174.7	-166.5	0	115.2	A152	K148-A152 WeakPolarHBondContact O-CB 3.47Å; K148-A152 PolarHBondContact O-N 3.46Å
149	P	63.5	Low	61.1	Low	60 Å²	60	63 Å²	63	39%	0.39	34%	0.344	S	S	.	.	H	α-helix	trans	-66	-38.8	175.3	-23.8	35	0	0	0	113.5	Y120 S145 A146 A152 E153	Y120-P149 HydrophobicContact CD1-CB 4.37Å; Y120-P149 HydrophobicContact CE1-CB 4.32Å; S145-P149 WeakPolarHBondContact O-CD 3.47Å; A146-P149 WeakPolarHBondContact O-CD 3.48Å; P149-A152 PolarHBondContact O-N 3.04Å; P149-E153 PolarHBondContact O-N 3.2Å; P149-E153 VanDerWaalsContact O-N 3.08Å
150	I	75.4	Confident	63.4	Low	2 Å²	2	55.8 Å²	55.8	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-70.6	-39	-178.8	-167.8	68.4	0	0	0	111.2	F49 L111 Y115 Y120 Q147 A152 E153 L154	F49-I150 HydrophobicContact CE2-CG1 4.41Å; F49-I150 HydrophobicContact CZ-CD1 3.97Å; F49-I150 HydrophobicContact CZ-CG1 4.3Å; L111-I150 HydrophobicContact CD1-CD1 3.51Å; L111-I150 HydrophobicContact CD2-CD1 3.97Å; L111-I150 HydrophobicContact CG-CD1 3.51Å; Y115-I150 HydrophobicContact CD2-CD1 4.43Å; Y115-I150 HydrophobicContact CD2-CG1 3.86Å; Y115-I150 HydrophobicContact CD2-CG2 4.42Å; Y115-I150 HydrophobicContact CE2-CG1 4.49Å; Y115-I150 HydrophobicContact CE2-CG2 4.47Å; Y120-I150 HydrophobicContact CE2-CD1 4.27Å; Q147-I150 WeakPolarHBondContact O-CG2 3.26Å; Q147-I150 PolarHBondContact O-N 2.9Å; I150-A152 VanDerWaalsContact C-N 3.31Å; I150-A152 PolarHBondContact O-N 2.85Å; I150-E153 PolarHBondContact O-N 2.61Å; I150-L154 HydrophobicContact CG1-CD1 4.34Å; I150-L154 WeakPolarHBondContact O-CB 3.35Å; I150-L154 VanDerWaalsContact O-CG 3.31Å; I150-L154 WeakPolarHBondContact O-CG 3.44Å; I150-L154 PolarHBondContact O-N 3.32Å
151	D	76.5	Confident	66	Low	35 Å²	35	50.3 Å²	50.3	19%	0.187	28%	0.278	C	S	.	.	H	α-helix	trans	-65.8	-34.4	176.2	-62.1	-23.3	0	0	0	111.9	H41 Q147 A155	H41-D151 IonicContact CE1-OD1 3.64Å; H41-D151 PolarHBondContact CE1-OD1 3.39Å; H41-D151 IonicContact CE1-OD2 2.99Å; H41-D151 IonicContact NE2-OD1 3.77Å; H41-D151 PolarHBondContact NE2-OD1 3.09Å; H41-D151 IonicContact NE2-OD2 3.53Å; H41-D151 PolarHBondContact NE2-OD2 2.73Å; Q147-D151 VanDerWaalsContact O-CG 3.26Å; Q147-D151 PolarHBondContact O-N 3.45Å; Q147-D151 VanDerWaalsContact O-N 3.09Å; D151-A155 WeakPolarHBondContact O-CB 3.43Å; D151-A155 PolarHBondContact O-N 2.72Å
152	A	74.7	Confident	68.5	Low	53 Å²	53	41.1 Å²	41.1	44%	0.438	24%	0.239	S	C	.	.	H	α-helix	trans	-69.8	-45	175.6	0	0	0	0	0	112.6	K148 P149 I150 L154 A155 N156	K148-A152 WeakPolarHBondContact O-CB 3.47Å; K148-A152 PolarHBondContact O-N 3.46Å; P149-A152 PolarHBondContact O-N 3.04Å; I150-A152 VanDerWaalsContact C-N 3.31Å; I150-A152 PolarHBondContact O-N 2.85Å; A152-L154 VanDerWaalsContact C-N 3.34Å; A152-A155 PolarHBondContact O-N 3.33Å; A152-N156 PolarHBondContact O-N 3.44Å
153	E	78.8	Confident	71.2	Confident	51 Å²	51	36.6 Å²	36.6	24%	0.238	21%	0.207	C	C	.	.	H	α-helix	trans	-63	-39.5	173.6	-82.3	-69.6	141.2	0	0	112	R107 L111 P149 I150 N156 L157	R107-E153 IonicContact CZ-OE2 2.78Å; R107-E153 IonicContact NE-OE2 2.76Å; R107-E153 PolarHBondContact NE-OE2 3.07Å; R107-E153 VanDerWaalsContact NH2-CD 3.3Å; R107-E153 IonicContact NH2-OE1 2.93Å; R107-E153 PolarHBondContact NH2-OE1 3.25Å; R107-E153 IonicContact NH2-OE2 3.23Å; R107-E153 PolarHBondContact NH2-OE2 2.66Å; L111-E153 HydrophobicContact CD1-CB 4.05Å; L111-E153 HydrophobicContact CD1-CG 4.26Å; L111-E153 HydrophobicContact CD2-CB 3.77Å; P149-E153 PolarHBondContact O-N 3.2Å; P149-E153 VanDerWaalsContact O-N 3.08Å; I150-E153 PolarHBondContact O-N 2.61Å; E153-N156 PolarHBondContact O-N 2.88Å; E153-L157 WeakPolarHBondContact O-CG 3.42Å; E153-L157 PolarHBondContact O-N 3.5Å; E153-L157 VanDerWaalsContact O-N 3.08Å
154	L	84.4	Confident	73.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64	-45.6	173.9	-75.6	172.6	0	0	0	111.9	T45 V48 F49 L52 L108 L111 I150 A152 N156 L157 M158 P216	T45-L154 HydrophobicContact CG2-CD1 3.55Å; V48-L154 HydrophobicContact CG1-CD1 4.48Å; V48-L154 HydrophobicContact CG1-CD2 4.26Å; F49-L154 HydrophobicContact CD1-CD2 3.96Å; F49-L154 HydrophobicContact CD2-CD1 4.34Å; F49-L154 HydrophobicContact CD2-CD2 4.29Å; F49-L154 HydrophobicContact CE1-CD2 3.73Å; F49-L154 HydrophobicContact CE2-CD1 3.93Å; F49-L154 HydrophobicContact CE2-CD2 4.09Å; F49-L154 HydrophobicContact CE2-CG 4.41Å; F49-L154 HydrophobicContact CG-CD2 4.23Å; F49-L154 HydrophobicContact CZ-CD1 4.25Å; F49-L154 HydrophobicContact CZ-CD2 3.79Å; F49-L154 HydrophobicContact CZ-CG 4.25Å; L52-L154 HydrophobicContact CD1-CD2 3.83Å; L108-L154 HydrophobicContact CD1-CD2 4.24Å; L111-L154 HydrophobicContact CD2-CD2 4.28Å; L111-L154 HydrophobicContact CD2-CG 4.43Å; I150-L154 HydrophobicContact CG1-CD1 4.34Å; I150-L154 WeakPolarHBondContact O-CB 3.35Å; I150-L154 VanDerWaalsContact O-CG 3.31Å; I150-L154 WeakPolarHBondContact O-CG 3.44Å; I150-L154 PolarHBondContact O-N 3.32Å; A152-L154 VanDerWaalsContact C-N 3.34Å; L154-N156 VanDerWaalsContact C-N 3.27Å; L154-N156 PolarHBondContact O-N 3.26Å; L154-L157 CarbonylContact O-C 3.4Å; L154-L157 PolarHBondContact O-N 2.95Å; L154-M158 VanDerWaalsContact O-CG 3.25Å; L154-M158 WeakPolarHBondContact O-CG 3.31Å; L154-M158 PolarHBondContact O-N 2.87Å; L154-P216 HydrophobicContact CB-CG 3.9Å
155	A	82.3	Confident	76	Confident	20 Å²	20	31 Å²	31	17%	0.165	18%	0.175	C	C	.	.	H	α-helix	trans	-57.2	-40.4	175.1	0	0	0	0	0	112.1	D151 A152 L157 M158 G159 P216	D151-A155 WeakPolarHBondContact O-CB 3.43Å; D151-A155 PolarHBondContact O-N 2.72Å; A152-A155 PolarHBondContact O-N 3.33Å; A155-L157 VanDerWaalsContact C-N 3.32Å; A155-L157 PolarHBondContact O-N 3.44Å; A155-M158 PolarHBondContact O-N 3.3Å; A155-G159 PolarHBondContact O-N 3.33Å; A155-P216 HydrophobicContact CB-CG 4.37Å
156	N	77.8	Confident	78.1	Confident	60 Å²	60	33.7 Å²	33.7	32%	0.321	18%	0.178	S	C	.	.	H	α-helix	trans	-65.6	-30.7	175.1	-72.7	-19.1	0	0	0	113.4	A152 E153 L154	A152-N156 PolarHBondContact O-N 3.44Å; E153-N156 PolarHBondContact O-N 2.88Å; L154-N156 VanDerWaalsContact C-N 3.27Å; L154-N156 PolarHBondContact O-N 3.26Å
157	L	83.6	Confident	80.1	Confident	1 Å²	1	34 Å²	34	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-83.6	-21.4	175.3	-69	172.9	0	0	0	113.6	L52 F56 R107 L108 L111 E153 L154 A155	L52-L157 HydrophobicContact CD1-CB 4.14Å; F56-L157 WeakPolarHBondContact CZ-O 3.38Å; R107-L157 HydrophobicContact CG-CD2 4.46Å; L108-L157 HydrophobicContact CB-CD1 4.27Å; L108-L157 HydrophobicContact CD1-CD1 3.77Å; L111-L157 HydrophobicContact CD2-CD1 3.82Å; E153-L157 WeakPolarHBondContact O-CG 3.42Å; E153-L157 PolarHBondContact O-N 3.5Å; E153-L157 VanDerWaalsContact O-N 3.08Å; L154-L157 CarbonylContact O-C 3.4Å; L154-L157 PolarHBondContact O-N 2.95Å; A155-L157 VanDerWaalsContact C-N 3.32Å; A155-L157 PolarHBondContact O-N 3.44Å
158	M	86.6	Confident	82	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-76.8	-23.9	175.6	-67	170	83.9	0	0	113.2	V48 L52 L154 A155 R160 C214 P216 C243 F246 W271	V48-M158 HydrophobicContact CG1-CE 4.19Å; V48-M158 HydrophobicContact CG1-CG 4.23Å; V48-M158 HydrophobicContact CG1-SD 3.75Å; L52-M158 HydrophobicContact CD1-CG 3.97Å; L52-M158 HydrophobicContact CD2-CB 4.37Å; L52-M158 HydrophobicContact CD2-CG 3.84Å; L52-M158 HydrophobicContact CG-CG 4.22Å; L154-M158 VanDerWaalsContact O-CG 3.25Å; L154-M158 WeakPolarHBondContact O-CG 3.31Å; L154-M158 PolarHBondContact O-N 2.87Å; A155-M158 PolarHBondContact O-N 3.3Å; M158-R160 PolarHBondContact O-N 3.12Å; M158-C214 HydrophobicContact CB-CB 3.52Å; M158-C214 HydrophobicContact CE-CB 4.11Å; M158-P216 VanDerWaalsContact SD-CA 3.58Å; M158-P216 HydrophobicContact SD-CB 4.07Å; M158-P216 HydrophobicContact SD-CG 3.63Å; M158-C243 WeakPolarHBondContact CE-SG 3.44Å; M158-F246 HydrophobicContact CB-CZ 4.12Å; M158-F246 HydrophobicContact CE-CE2 4.06Å; M158-F246 HydrophobicContact CE-CZ 3.68Å; M158-F246 HydrophobicContact CG-CE2 4.1Å; M158-F246 HydrophobicContact CG-CZ 4.08Å; M158-W271 PolarHBondContact O-NE1 2.78Å
159	G	84.5	Confident	83.3	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.			trans	59.7	-130	178	0	0	0	0	0	112.4	A155 C214 L275	A155-G159 PolarHBondContact O-N 3.33Å; G159-C214 PolarHBondContact O-N 3.39Å; G159-L275 CarbonylContact C-O 3.5Å; G159-L275 VanDerWaalsContact C-O 3.32Å; G159-L275 WeakPolarHBondContact CA-O 3.35Å
160	R	85.2	Confident	84.2	Confident	24 Å²	24	24.8 Å²	24.8	9%	0.091	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	161.2	-177.9	-70.4	175.9	-159.8	-168.3	12.4	113.2	M158 V211 L212 L272 L275 A276 K278 S279	M158-R160 PolarHBondContact O-N 3.12Å; R160-V211 HydrophobicContact CB-CG1 3.93Å; R160-V211 HydrophobicContact CG-CG1 4.2Å; R160-L212 CarbonylContact C-O 3.6Å; R160-L212 VanDerWaalsContact CA-O 3.23Å; R160-L212 WeakPolarHBondContact CA-O 3.45Å; R160-L212 WeakPolarHBondContact CB-O 3.45Å; R160-L272 HydrophobicContact CB-CB 4.48Å; R160-L272 PolarHBondContact N-O 3.38Å; R160-L272 PolarHBondContact O-N 2.88Å; R160-L275 HydrophobicContact CB-CB 4.43Å; R160-L275 HydrophobicContact CG-CB 4.35Å; R160-L275 WeakPolarHBondContact CG-O 3.37Å; R160-L275 PolarHBondContact N-O 3.44Å; R160-A276 VanDerWaalsContact CZ-O 3.23Å; R160-A276 PolarHBondContact NE-O 3.38Å; R160-A276 PolarHBondContact NH2-O 3Å; R160-K278 PolarHBondContact NH2-O 3.31Å; R160-S279 PolarHBondContact NH1-O 3.07Å; R160-S279 PolarHBondContact NH2-O 3.24Å
161	V	87.9	Confident	83.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.6	159.9	-73.1	0	0	0	0	110	V163 L212 I220 V269 T270 W271	V161-V163 HydrophobicContact CG2-CG2 4.43Å; V161-L212 HydrophobicContact CG2-CB 4.19Å; V161-L212 PolarHBondContact N-O 3.04Å; V161-L212 PolarHBondContact O-N 3.32Å; V161-I220 HydrophobicContact CG2-CD1 3.79Å; V161-V269 HydrophobicContact CB-CG1 4.07Å; V161-V269 HydrophobicContact CG1-CG1 4.14Å; V161-T270 CarbonylContact C-O 3.58Å; V161-T270 WeakPolarHBondContact CA-O 3.44Å; V161-W271 HydrophobicContact CG1-CB 4.42Å
162	V	89.1	Confident	82.2	Confident	8 Å²	8	37.2 Å²	37.2	5%	0.048	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.7	165.6	-174.3	0	0	0	0	107.1	Q209 V210 V211 V269 T270 L272	V162-Q209 HydrophobicContact CG1-CG 3.33Å; V162-V210 CarbonylContact C-O 3.49Å; V162-V210 WeakPolarHBondContact CA-O 3.16Å; V162-V211 HydrophobicContact CG2-CG1 4.34Å; V162-V211 HydrophobicContact CG2-CG2 4.23Å; V162-V269 CarbonylContact O-C 3.58Å; V162-V269 VanDerWaalsContact O-CA 3.29Å; V162-V269 WeakPolarHBondContact O-CA 3.41Å; V162-T270 PolarHBondContact N-O 2.75Å; V162-T270 PolarHBondContact O-N 3.12Å; V162-L272 HydrophobicContact CG2-CD1 3.4Å; V162-L272 HydrophobicContact CG2-CG 4.04Å
163	V	91.9	Very high	81.7	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.3	174.3	-174.6	0	0	0	0	108.1	V161 I184 Q209 V210 L212 L267 V269	V161-V163 HydrophobicContact CG2-CG2 4.43Å; V163-I184 HydrophobicContact CB-CD1 4.42Å; V163-I184 HydrophobicContact CG1-CD1 3.82Å; V163-Q209 WeakPolarHBondContact O-CA 3.29Å; V163-V210 HydrophobicContact CB-CG1 3.91Å; V163-V210 PolarHBondContact N-O 2.72Å; V163-V210 PolarHBondContact O-N 3.12Å; V163-L212 HydrophobicContact CG2-CD1 4.25Å; V163-L267 HydrophobicContact CG1-CB 4.24Å; V163-L267 HydrophobicContact CG1-CD1 3.92Å; V163-L267 HydrophobicContact CG1-CD2 4.25Å; V163-L267 HydrophobicContact CG1-CG 4.36Å; V163-V269 HydrophobicContact CG1-CG2 4.41Å; V163-V269 HydrophobicContact CG2-CG1 4.48Å; V163-V269 HydrophobicContact CG2-CG2 4.38Å
164	D	88.8	Confident	81.9	Confident	47 Å²	47	41 Å²	41	25%	0.251	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.8	-174.6	-163.1	-71.5	0	0	0	110.2	K166 Q209 L267 V268	D164-K166 PolarHBondContact O-N 3.24Å; D164-Q209 HydrophobicContact CB-CG 4.39Å; D164-Q209 PolarHBondContact OD2-NE2 3.48Å; D164-L267 CarbonylContact O-C 3.45Å; D164-L267 WeakPolarHBondContact O-CA 3.35Å; D164-V268 HydrophobicContact CB-CB 4.3Å; D164-V268 PolarHBondContact N-O 3.47Å; D164-V268 PolarHBondContact O-N 3.21Å
165	I	90.4	Very high	81.8	Confident	5 Å²	5	44 Å²	44	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	101.2	178.9	-57.7	-177.8	0	0	0	109.5	V182 W191 T193 W205 E208 L265 L267	I165-V182 HydrophobicContact CD1-CB 4Å; I165-V182 HydrophobicContact CD1-CG1 4.02Å; I165-V182 HydrophobicContact CD1-CG2 4.14Å; I165-W191 HydrophobicContact CD1-CH2 3.77Å; I165-W191 HydrophobicContact CD1-CZ3 3.89Å; I165-W191 HydrophobicContact CG1-CH2 4.2Å; I165-W191 HydrophobicContact CG1-CZ3 4.4Å; I165-T193 HydrophobicContact CD1-CG2 3.44Å; I165-T193 VanDerWaalsContact CD1-CG2 3.44Å; I165-W205 HydrophobicContact CD1-CD2 4.39Å; I165-W205 HydrophobicContact CD1-CE3 3.92Å; I165-W205 HydrophobicContact CD1-CH2 4.38Å; I165-W205 HydrophobicContact CD1-CZ3 3.93Å; I165-W205 HydrophobicContact CG2-CD2 4.09Å; I165-W205 HydrophobicContact CG2-CE3 4.47Å; I165-W205 HydrophobicContact CG2-CH2 4.01Å; I165-W205 HydrophobicContact CG2-CZ2 3.54Å; I165-W205 HydrophobicContact CG2-CZ3 4.44Å; I165-E208 PolarHBondContact N-O 3.47Å; I165-L265 HydrophobicContact CG2-CD1 3.98Å; I165-L267 HydrophobicContact CB-CD2 4.31Å; I165-L267 HydrophobicContact CG1-CD2 3.77Å
166	K	86.8	Confident	82	Confident	127 Å²	127	46.4 Å²	46.4	55%	0.552	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	-51.9	176.8	-174.9	172.4	-177.2	173.5	0	112.5	D164 L252 Q266 V268	D164-K166 PolarHBondContact O-N 3.24Å; K166-L252 HydrophobicContact CD-CD1 4.35Å; K166-Q266 HydrophobicContact CB-CB 4.14Å; K166-Q266 PolarHBondContact N-O 3.06Å; K166-V268 HydrophobicContact CB-CG2 4.46Å; K166-V268 HydrophobicContact CD-CG2 4.4Å
167	A	86.1	Confident	82.4	Confident	23 Å²	23	45.4 Å²	45.4	19%	0.19	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174	156.9	178.1	0	0	0	0	0	111.9	V169 Q266	A167-V169 HydrophobicContact CB-CG2 3.83Å; A167-Q266 PolarHBondContact N-O 3.34Å; A167-Q266 PolarHBondContact O-N 3.15Å
168	I	90.1	Very high	82.7	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	117.3	151.3	-62.6	174.7	0	0	0	107.7	I174 F180 Q203 W205 V224 L257 I263 K264 L265	I168-I174 HydrophobicContact CB-CD1 4.43Å; I168-I174 HydrophobicContact CG2-CD1 3.83Å; I168-I174 WeakPolarHBondContact O-CD1 3.39Å; I168-F180 HydrophobicContact CD1-CB 3.52Å; I168-F180 HydrophobicContact CD1-CD1 4.05Å; I168-F180 HydrophobicContact CD1-CD2 3.87Å; I168-F180 HydrophobicContact CD1-CG 3.52Å; I168-Q203 PolarHBondContact O-NE2 3.19Å; I168-W205 HydrophobicContact CD1-CH2 3.78Å; I168-W205 HydrophobicContact CD1-CZ2 4.22Å; I168-W205 HydrophobicContact CG1-CH2 4.18Å; I168-W205 HydrophobicContact CG1-CZ2 4.17Å; I168-V224 HydrophobicContact CD1-CG1 3.98Å; I168-L257 HydrophobicContact CD1-CD1 4.15Å; I168-L257 HydrophobicContact CG1-CD1 4.28Å; I168-L257 HydrophobicContact CG2-CD1 3.83Å; I168-I263 HydrophobicContact CG2-CG2 3.6Å; I168-K264 CarbonylContact C-O 3.57Å; I168-K264 WeakPolarHBondContact CA-O 3.21Å; I168-L265 HydrophobicContact CD1-CD1 4.47Å; I168-L265 HydrophobicContact CG1-CB 4.39Å; I168-L265 HydrophobicContact CG1-CD1 3.7Å
169	V	84.9	Confident	82.9	Confident	48 Å²	48	49.4 Å²	49.4	29%	0.291	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130	-175.7	-174.2	0	0	0	0	109.8	A167 F171 I263 K264 Q266	A167-V169 HydrophobicContact CB-CG2 3.83Å; V169-F171 HydrophobicContact CG1-CE2 4.32Å; V169-I263 CarbonylContact O-C 3.56Å; V169-I263 WeakPolarHBondContact O-CA 3.44Å; V169-K264 PolarHBondContact N-O 3.27Å; V169-K264 PolarHBondContact O-N 3.49Å; V169-Q266 HydrophobicContact CG2-CG 4.4Å
170	G	82.4	Confident	83.3	Confident	12 Å²	12	49.7 Å²	49.7	12%	0.124	28%	0.278	C	S	.	.			trans	-159.1	96.8	178.6	0	0	0	0	0	112.6	A172 R173 T262	G170-A172 PolarHBondContact O-N 3.32Å; G170-R173 PolarHBondContact O-N 3.11Å; G170-R173 VanDerWaalsContact O-N 3.16Å; G170-T262 VanDerWaalsContact CA-O 3.31Å; G170-T262 WeakPolarHBondContact CA-O 3.37Å
171	F	55.1	Low	83.8	Confident	200 Å²	200	49.9 Å²	49.9	88%	0.877	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-20.1	-164.4	-77.6	-89.7	0	0	0	117.1	V169	V169-F171 HydrophobicContact CG1-CE2 4.32Å
172	A	54.1	Low	84.2	Confident	99 Å²	99	49.9 Å²	49.9	82%	0.818	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.7	18.9	178.2	0	0	0	0	0	113.7	G170	G170-A172 PolarHBondContact O-N 3.32Å
173	R	65.9	Low	84.5	Confident	154 Å²	154	50.8 Å²	50.8	58%	0.581	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.6	-11.7	-167.5	-75.1	-78.9	-179.3	135.1	1.5	115.1	G170 I263	G170-R173 PolarHBondContact O-N 3.11Å; G170-R173 VanDerWaalsContact O-N 3.16Å; R173-I263 HydrophobicContact CB-CD1 3.84Å; R173-I263 HydrophobicContact CB-CG1 3.77Å; R173-I263 HydrophobicContact CG-CD1 4.33Å; R173-I263 HydrophobicContact CG-CG1 4.2Å
174	I	81.1	Confident	84.7	Confident	29 Å²	29	50.8 Å²	50.8	15%	0.149	28%	0.284	C	S	.	.			trans	-108.3	125	-178.1	-52.3	178.5	0	0	0	108.6	I168 D178 F180 T197	I168-I174 HydrophobicContact CB-CD1 4.43Å; I168-I174 HydrophobicContact CG2-CD1 3.83Å; I168-I174 WeakPolarHBondContact O-CD1 3.39Å; I174-D178 WeakPolarHBondContact CA-OD2 3.01Å; I174-D178 HydrophobicContact CG2-CB 4.46Å; I174-F180 HydrophobicContact CG1-CZ 4.41Å; I174-F180 HydrophobicContact CG2-CE2 3.99Å; I174-F180 HydrophobicContact CG2-CZ 4.31Å; I174-T197 HydrophobicContact CG2-CG2 3.93Å; I174-T197 WeakPolarHBondContact CG2-OG1 3.3Å
175	S	83.7	Confident	85	Confident	64 Å²	64	51.9 Å²	51.9	45%	0.448	29%	0.285	S	S	.	.			trans	-112.4	150.6	-177.6	-54.3	0	0	0	0	111.2	G177 D178 T197	S175-G177 PolarHBondContact O-N 3.06Å; S175-D178 PolarHBondContact N-OD2 2.89Å; S175-D178 VanDerWaalsContact O-CB 3.32Å; S175-D178 WeakPolarHBondContact O-CB 3.36Å; S175-D178 VanDerWaalsContact O-CG 3.28Å; S175-D178 PolarHBondContact O-N 3.41Å; S175-D178 VanDerWaalsContact O-N 3.07Å; S175-T197 WeakPolarHBondContact O-CB 3.34Å
176	P	86.7	Confident	85	Confident	69 Å²	69	51.7 Å²	51.7	45%	0.448	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	130.7	165.9	-29.6	38.2	0	0	0	111.8	L198	P176-L198 WeakPolarHBondContact CB-O 3.48Å
177	G	86.4	Confident	85	Confident	40 Å²	40	47.5 Å²	47.5	41%	0.412	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-16.6	-175.6	0	0	0	0	0	115	S175 V179 T197	S175-G177 PolarHBondContact O-N 3.06Å; G177-V179 PolarHBondContact O-N 3.16Å; G177-T197 PolarHBondContact N-O 3.2Å
178	D	88.8	Confident	84.9	Confident	44 Å²	44	52.4 Å²	52.4	24%	0.235	31%	0.309	C	S	.	.			trans	-59.1	132.6	175.5	-74.2	-10.2	0	0	0	110.9	I174 S175 F180 K196 T197	I174-D178 WeakPolarHBondContact CA-OD2 3.01Å; I174-D178 HydrophobicContact CG2-CB 4.46Å; S175-D178 PolarHBondContact N-OD2 2.89Å; S175-D178 VanDerWaalsContact O-CB 3.32Å; S175-D178 WeakPolarHBondContact O-CB 3.36Å; S175-D178 VanDerWaalsContact O-CG 3.28Å; S175-D178 PolarHBondContact O-N 3.41Å; S175-D178 VanDerWaalsContact O-N 3.07Å; D178-F180 HydrophobicContact CB-CE2 3.92Å; D178-F180 HydrophobicContact CB-CZ 4.1Å; D178-K196 WeakPolarHBondContact O-CA 3.3Å; D178-T197 PolarHBondContact O-N 2.99Å
179	V	91.8	Very high	84.9	Confident	40 Å²	40	54.4 Å²	54.4	24%	0.242	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.7	176.8	-178.2	0	0	0	0	109.5	G177 K194 G195 K196 C227	G177-V179 PolarHBondContact O-N 3.16Å; V179-K194 HydrophobicContact CG1-CB 4.46Å; V179-G195 CarbonylContact C-O 3.55Å; V179-G195 WeakPolarHBondContact CA-O 3.4Å; V179-K196 HydrophobicContact CG2-CB 4.26Å; V179-K196 HydrophobicContact CG2-CD 4.37Å; V179-K196 HydrophobicContact CG2-CG 4.04Å; V179-C227 HydrophobicContact CB-CB 4.06Å; V179-C227 HydrophobicContact CG1-CB 3.93Å; V179-C227 PolarHBondContact O-N 3.35Å
180	F	92.8	Very high	85.3	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.026	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	150.7	173.3	-58	-77.7	0	0	0	110.5	I168 I174 D178 K194 G195 W205 S225 E226 L235	I168-F180 HydrophobicContact CD1-CB 3.52Å; I168-F180 HydrophobicContact CD1-CD1 4.05Å; I168-F180 HydrophobicContact CD1-CD2 3.87Å; I168-F180 HydrophobicContact CD1-CG 3.52Å; I174-F180 HydrophobicContact CG1-CZ 4.41Å; I174-F180 HydrophobicContact CG2-CE2 3.99Å; I174-F180 HydrophobicContact CG2-CZ 4.31Å; D178-F180 HydrophobicContact CB-CE2 3.92Å; D178-F180 HydrophobicContact CB-CZ 4.1Å; F180-K194 CarbonylContact O-C 3.56Å; F180-K194 WeakPolarHBondContact O-CA 3.13Å; F180-G195 PolarHBondContact N-O 3.25Å; F180-G195 PolarHBondContact O-N 3.46Å; F180-W205 HydrophobicContact CB-CH2 4.4Å; F180-S225 CarbonylContact C-O 3.49Å; F180-S225 WeakPolarHBondContact CA-O 3.27Å; F180-E226 HydrophobicContact CE1-CG 4.38Å; F180-L235 HydrophobicContact CD1-CD1 3.92Å; F180-L235 HydrophobicContact CE1-CD1 3.87Å
181	E	94.9	Very high	86	Confident	29 Å²	29	60.5 Å²	60.5	14%	0.136	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.7	176.7	-178.8	176.3	106	0	0	108.5	K192 T193 K194 V224 S225	E181-K192 HydrophobicContact CG-CG 4.43Å; E181-K192 WeakPolarHBondContact OE1-CE 3.19Å; E181-K192 IonicContact OE1-NZ 3.97Å; E181-K192 PolarHBondContact OE1-NZ 3.37Å; E181-K192 WeakPolarHBondContact OE2-CE 3.38Å; E181-K192 IonicContact OE2-NZ 3.55Å; E181-K192 PolarHBondContact OE2-NZ 3.3Å; E181-T193 WeakPolarHBondContact CA-O 3.49Å; E181-K194 HydrophobicContact CB-CG 4.17Å; E181-K194 HydrophobicContact CG-CG 4.16Å; E181-K194 WeakPolarHBondContact OE2-CE 2.96Å; E181-V224 CarbonylContact O-C 3.59Å; E181-V224 WeakPolarHBondContact O-CA 3.06Å; E181-S225 PolarHBondContact N-O 3.45Å; E181-S225 PolarHBondContact O-N 3.2Å
182	V	95.7	Very high	87.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.1	179.4	178.8	0	0	0	0	108.5	I165 I184 K192 T193 W205 V222 V224 L265	I165-V182 HydrophobicContact CD1-CB 4Å; I165-V182 HydrophobicContact CD1-CG1 4.02Å; I165-V182 HydrophobicContact CD1-CG2 4.14Å; V182-I184 HydrophobicContact CG1-CD1 4.44Å; V182-I184 HydrophobicContact CG1-CG1 4.02Å; V182-K192 WeakPolarHBondContact O-CA 3.39Å; V182-T193 HydrophobicContact CB-CG2 4.05Å; V182-T193 PolarHBondContact N-O 3.45Å; V182-T193 PolarHBondContact O-N 2.95Å; V182-W205 HydrophobicContact CB-CZ3 4.33Å; V182-W205 HydrophobicContact CG2-CH2 3.74Å; V182-W205 HydrophobicContact CG2-CZ3 3.67Å; V182-V222 HydrophobicContact CG1-CG1 4.11Å; V182-V224 HydrophobicContact CG2-CG1 4.13Å; V182-V224 HydrophobicContact CG2-CG2 4.19Å; V182-L265 HydrophobicContact CG1-CD2 4.44Å
183	L	95.9	Very high	89.9	Confident	26 Å²	26	51.1 Å²	51.1	14%	0.136	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	113.8	177.8	174.5	69.3	0	0	0	108.6	K190 W191 K192 V222 K223	L183-K190 HydrophobicContact CD1-CD 4.39Å; L183-K190 HydrophobicContact CD1-CG 3.79Å; L183-W191 CarbonylContact C-O 3.56Å; L183-W191 WeakPolarHBondContact CA-O 3.04Å; L183-K192 HydrophobicContact CD1-CB 4.04Å; L183-K192 HydrophobicContact CD1-CG 4.28Å; L183-V222 WeakPolarHBondContact O-CA 3.15Å; L183-K223 HydrophobicContact CB-CB 4.37Å; L183-K223 PolarHBondContact N-O 2.95Å; L183-K223 PolarHBondContact O-N 3.45Å
184	I	96	Very high	91.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.2	176.7	-52.8	-173	0	0	0	108.7	V163 V182 K190 W191 V210 L212 I220 D221 V222	V163-I184 HydrophobicContact CB-CD1 4.42Å; V163-I184 HydrophobicContact CG1-CD1 3.82Å; V182-I184 HydrophobicContact CG1-CD1 4.44Å; V182-I184 HydrophobicContact CG1-CG1 4.02Å; I184-K190 WeakPolarHBondContact O-CA 3.39Å; I184-W191 HydrophobicContact CB-CE3 4.19Å; I184-W191 HydrophobicContact CD1-CE3 3.8Å; I184-W191 HydrophobicContact CD1-CZ3 3.67Å; I184-W191 HydrophobicContact CG1-CE3 3.86Å; I184-W191 HydrophobicContact CG1-CZ3 4.08Å; I184-W191 PolarHBondContact N-O 3.28Å; I184-W191 PolarHBondContact O-N 3.36Å; I184-V210 HydrophobicContact CD1-CG1 4.17Å; I184-L212 HydrophobicContact CG2-CD1 3.91Å; I184-I220 HydrophobicContact CG2-CG2 3.56Å; I184-D221 CarbonylContact C-O 3.48Å; I184-D221 VanDerWaalsContact CA-O 3.32Å; I184-D221 WeakPolarHBondContact CA-O 3.4Å; I184-V222 HydrophobicContact CG1-CG1 4.46Å; I184-V222 HydrophobicContact CG1-CG2 4.22Å; I184-V222 HydrophobicContact CG2-CG2 4.37Å
185	R	94.9	Very high	91.8	Very high	71 Å²	71	46.2 Å²	46.2	27%	0.268	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142.6	174.3	-60.3	-178.9	-61	-96.2	-5	110.7	Q189 K190 I220 D221 D237	R185-Q189 CarbonylContact C-O 3.53Å; R185-Q189 VanDerWaalsContact CA-O 3.28Å; R185-Q189 WeakPolarHBondContact CA-O 3.05Å; R185-K190 HydrophobicContact CG-CG 4.24Å; R185-I220 CarbonylContact O-C 3.56Å; R185-I220 WeakPolarHBondContact O-CA 3.49Å; R185-D221 HydrophobicContact CB-CB 4.34Å; R185-D221 PolarHBondContact N-O 3.45Å; R185-D221 IonicContact NE-OD2 3.18Å; R185-D221 IonicContact NH2-OD2 2.66Å; R185-D221 PolarHBondContact O-N 2.89Å; R185-D237 IonicContact NH2-OD1 2.63Å; R185-D237 IonicContact NH2-OD2 3.51Å
186	H	90.9	Very high	92.2	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	104.1	173	-177.5	55.4	0	0	0	110.2	S188 Q189 L212 T213 V215 Q218 S219 I220	H186-S188 PolarHBondContact O-N 3.44Å; H186-Q189 PolarHBondContact N-O 3.19Å; H186-Q189 WeakPolarHBondContact O-CB 3.43Å; H186-Q189 PolarHBondContact O-N 3.01Å; H186-Q189 PolarHBondContact O-NE2 3.34Å; H186-L212 HydrophobicContact CB-CD1 4.18Å; H186-T213 PolarHBondContact CD2-O 2.78Å; H186-T213 PolarHBondContact NE2-O 3.21Å; H186-V215 PolarHBondContact NE2-N 3.03Å; H186-Q218 PolarHBondContact CE1-O 3.35Å; H186-S219 PolarHBondContact ND1-O 2.94Å; H186-I220 HydrophobicContact CB-CG1 4.11Å
187	G	86.8	Confident	92.4	Very high	38 Å²	38	45.3 Å²	45.3	39%	0.392	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-125.9	-167.2	0	0	0	0	0	111.4	Q189	G187-Q189 VanDerWaalsContact C-N 3.32Å
188	S	84.1	Confident	92.4	Very high	126 Å²	126	46.4 Å²	46.4	88%	0.881	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-14.9	174.4	52.4	0	0	0	0	114.2	H186	H186-S188 PolarHBondContact O-N 3.44Å
189	Q	89.8	Confident	92.1	Very high	47 Å²	47	53 Å²	53	22%	0.22	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	134.1	-177	-61.7	163.3	100.7	0	0	110.4	R185 H186 G187 L212 T213	R185-Q189 CarbonylContact C-O 3.53Å; R185-Q189 VanDerWaalsContact CA-O 3.28Å; R185-Q189 WeakPolarHBondContact CA-O 3.05Å; H186-Q189 PolarHBondContact N-O 3.19Å; H186-Q189 WeakPolarHBondContact O-CB 3.43Å; H186-Q189 PolarHBondContact O-N 3.01Å; H186-Q189 PolarHBondContact O-NE2 3.34Å; G187-Q189 VanDerWaalsContact C-N 3.32Å; Q189-L212 HydrophobicContact CB-CD2 3.94Å; Q189-T213 PolarHBondContact NE2-O 3.38Å
190	K	93.5	Very high	91.7	Very high	156 Å²	156	56.2 Å²	56.2	68%	0.678	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.6	121.9	-177.9	-178.2	-176.9	178.4	-172.3	0	109.4	L183 I184 R185	L183-K190 HydrophobicContact CD1-CD 4.39Å; L183-K190 HydrophobicContact CD1-CG 3.79Å; I184-K190 WeakPolarHBondContact O-CA 3.39Å; R185-K190 HydrophobicContact CG-CG 4.24Å
191	W	96.5	Very high	91	Very high	31 Å²	31	65.1 Å²	65.1	12%	0.117	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143	177.9	176.4	91.5	0	0	0	110.8	I165 L183 I184 T193 K207 Q209 V210	I165-W191 HydrophobicContact CD1-CH2 3.77Å; I165-W191 HydrophobicContact CD1-CZ3 3.89Å; I165-W191 HydrophobicContact CG1-CH2 4.2Å; I165-W191 HydrophobicContact CG1-CZ3 4.4Å; L183-W191 CarbonylContact C-O 3.56Å; L183-W191 WeakPolarHBondContact CA-O 3.04Å; I184-W191 HydrophobicContact CB-CE3 4.19Å; I184-W191 HydrophobicContact CD1-CE3 3.8Å; I184-W191 HydrophobicContact CD1-CZ3 3.67Å; I184-W191 HydrophobicContact CG1-CE3 3.86Å; I184-W191 HydrophobicContact CG1-CZ3 4.08Å; I184-W191 PolarHBondContact N-O 3.28Å; I184-W191 PolarHBondContact O-N 3.36Å; W191-T193 HydrophobicContact CE3-CG2 4.31Å; W191-T193 HydrophobicContact CH2-CG2 3.35Å; W191-T193 HydrophobicContact CZ2-CG2 3.96Å; W191-T193 HydrophobicContact CZ3-CG2 3.54Å; W191-K207 HydrophobicContact CZ2-CB 3.71Å; W191-K207 WeakPolarHBondContact CZ2-O 3.35Å; W191-Q209 VanDerWaalsContact CZ2-O 3.32Å; W191-Q209 WeakPolarHBondContact CZ2-O 3.03Å; W191-V210 HydrophobicContact CB-CB 4.14Å; W191-V210 HydrophobicContact CB-CG1 4.47Å; W191-V210 HydrophobicContact CB-CG2 3.63Å; W191-V210 HydrophobicContact CD2-CB 3.58Å; W191-V210 HydrophobicContact CD2-CG1 3.91Å; W191-V210 HydrophobicContact CD2-CG2 4.08Å; W191-V210 HydrophobicContact CE3-CB 4.07Å; W191-V210 HydrophobicContact CE3-CG1 3.86Å; W191-V210 HydrophobicContact CG-CB 3.62Å; W191-V210 HydrophobicContact CG-CG1 4.21Å; W191-V210 HydrophobicContact CG-CG2 3.54Å; W191-V210 HydrophobicContact CZ2-CB 4.22Å; W191-V210 HydrophobicContact CZ3-CG1 4.21Å
192	K	95.7	Very high	90.4	Very high	102 Å²	102	66.9 Å²	66.9	44%	0.443	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	136.6	-171.7	-170	-177.2	178.4	-178.4	0	109.6	E181 V182 L183	E181-K192 HydrophobicContact CG-CG 4.43Å; E181-K192 WeakPolarHBondContact OE1-CE 3.19Å; E181-K192 IonicContact OE1-NZ 3.97Å; E181-K192 PolarHBondContact OE1-NZ 3.37Å; E181-K192 WeakPolarHBondContact OE2-CE 3.38Å; E181-K192 IonicContact OE2-NZ 3.55Å; E181-K192 PolarHBondContact OE2-NZ 3.3Å; V182-K192 WeakPolarHBondContact O-CA 3.39Å; L183-K192 HydrophobicContact CD1-CB 4.04Å; L183-K192 HydrophobicContact CD1-CG 4.28Å
193	T	96.3	Very high	89.9	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.3	177.9	-173.9	0	0	0	0	110.6	I165 E181 V182 W191 W205 K207	I165-T193 HydrophobicContact CD1-CG2 3.44Å; I165-T193 VanDerWaalsContact CD1-CG2 3.44Å; E181-T193 WeakPolarHBondContact CA-O 3.49Å; V182-T193 HydrophobicContact CB-CG2 4.05Å; V182-T193 PolarHBondContact N-O 3.45Å; V182-T193 PolarHBondContact O-N 2.95Å; W191-T193 HydrophobicContact CE3-CG2 4.31Å; W191-T193 HydrophobicContact CH2-CG2 3.35Å; W191-T193 HydrophobicContact CZ2-CG2 3.96Å; W191-T193 HydrophobicContact CZ3-CG2 3.54Å; T193-W205 HydrophobicContact CG2-CE3 3.87Å; T193-W205 HydrophobicContact CG2-CZ3 4.14Å; T193-K207 VanDerWaalsContact CB-O 3.31Å; T193-K207 WeakPolarHBondContact CB-O 3.16Å; T193-K207 WeakPolarHBondContact CG2-O 3.29Å; T193-K207 PolarHBondContact OG1-N 3.31Å; T193-K207 VanDerWaalsContact OG1-N 3.07Å; T193-K207 PolarHBondContact OG1-O 3.06Å
194	K	94.6	Very high	89.5	Confident	79 Å²	79	74.1 Å²	74.1	34%	0.343	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.5	169.4	-63.6	173.3	179.5	170.4	0	111	V179 F180 E181 W205 E206	V179-K194 HydrophobicContact CG1-CB 4.46Å; F180-K194 CarbonylContact O-C 3.56Å; F180-K194 WeakPolarHBondContact O-CA 3.13Å; E181-K194 HydrophobicContact CB-CG 4.17Å; E181-K194 HydrophobicContact CG-CG 4.16Å; E181-K194 WeakPolarHBondContact OE2-CE 2.96Å; K194-W205 VanDerWaalsContact C-CE3 3.43Å; K194-W205 CarbonylContact O-C 3.27Å; K194-W205 WeakPolarHBondContact O-CA 3.37Å; K194-E206 HydrophobicContact CB-CG 4.31Å; K194-E206 PolarHBondContact N-OE2 2.89Å; K194-E206 PolarHBondContact O-N 3.43Å
195	G	92.6	Very high	89.2	Confident	1 Å²	1	75 Å²	75	1%	0.01	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	131.9	176.2	0	0	0	0	0	110.2	V179 F180 K204 W205	V179-G195 CarbonylContact C-O 3.55Å; V179-G195 WeakPolarHBondContact CA-O 3.4Å; F180-G195 PolarHBondContact N-O 3.25Å; F180-G195 PolarHBondContact O-N 3.46Å; G195-K204 WeakPolarHBondContact CA-O 3.31Å; G195-W205 VanDerWaalsContact CA-CD2 3.48Å
196	K	92.4	Very high	89	Confident	111 Å²	111	78 Å²	78	48%	0.483	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.2	174.8	-176.3	175.7	-178.1	-177.8	0	110.2	D178 V179 Q203 K204	D178-K196 WeakPolarHBondContact O-CA 3.3Å; V179-K196 HydrophobicContact CG2-CB 4.26Å; V179-K196 HydrophobicContact CG2-CD 4.37Å; V179-K196 HydrophobicContact CG2-CG 4.04Å; K196-Q203 WeakPolarHBondContact O-CA 3.41Å; K196-K204 PolarHBondContact N-O 3.23Å; K196-K204 PolarHBondContact O-N 3.08Å
197	T	89.8	Confident	88.9	Confident	2 Å²	2	84 Å²	84	1%	0.012	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	128.2	172.4	-50.1	0	0	0	0	110	I174 S175 G177 D178 T202	I174-T197 HydrophobicContact CG2-CG2 3.93Å; I174-T197 WeakPolarHBondContact CG2-OG1 3.3Å; S175-T197 WeakPolarHBondContact O-CB 3.34Å; G177-T197 PolarHBondContact N-O 3.2Å; D178-T197 PolarHBondContact O-N 2.99Å; T197-T202 CarbonylContact C-O 3.49Å; T197-T202 WeakPolarHBondContact CA-O 3.3Å
198	L	87.1	Confident	88.8	Confident	64 Å²	64	87 Å²	87	34%	0.335	41%	0.409	S	S	.	.			trans	-88.8	176.5	179.7	-59	-171.9	0	0	0	111.8	P176 D200 R201 T202 K204	P176-L198 WeakPolarHBondContact CB-O 3.48Å; L198-D200 VanDerWaalsContact C-N 3.32Å; L198-D200 WeakPolarHBondContact CB-OD1 3.46Å; L198-D200 PolarHBondContact O-N 2.99Å; L198-R201 PolarHBondContact O-N 3.34Å; L198-R201 VanDerWaalsContact O-N 3.09Å; L198-T202 PolarHBondContact N-O 3.28Å; L198-K204 HydrophobicContact CD1-CB 4.17Å; L198-K204 HydrophobicContact CD2-CB 4.35Å; L198-K204 HydrophobicContact CG-CB 4.31Å
199	Q	82.9	Confident	89.1	Confident	183 Å²	183	84.8 Å²	84.8	86%	0.855	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-32.9	-176.7	-68.6	-175.7	-3.2	0	0	113.4	R201	Q199-R201 PolarHBondContact O-N 3.47Å
200	D	82.2	Confident	89	Confident	107 Å²	107	83.2 Å²	83.2	57%	0.572	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	3.3	173.3	63.5	-1.2	0	0	0	113.6	L198 T202	L198-D200 VanDerWaalsContact C-N 3.32Å; L198-D200 WeakPolarHBondContact CB-OD1 3.46Å; L198-D200 PolarHBondContact O-N 2.99Å; D200-T202 VanDerWaalsContact CG-OG1 3.28Å; D200-T202 PolarHBondContact O-N 3.34Å; D200-T202 WeakPolarHBondContact OD1-CB 3.28Å; D200-T202 PolarHBondContact OD1-N 3.1Å; D200-T202 PolarHBondContact OD1-OG1 2.95Å; D200-T202 WeakPolarHBondContact OD2-CG2 3.46Å; D200-T202 PolarHBondContact OD2-OG1 2.91Å
201	R	78.1	Confident	88.7	Confident	192 Å²	192	78.5 Å²	78.5	73%	0.725	36%	0.363	S	S	*	.	S	Bend	trans	67.4	8.6	-174.1	-49.7	177.7	177.2	-176.2	-2.1	115.4	L198 Q199	L198-R201 PolarHBondContact O-N 3.34Å; L198-R201 VanDerWaalsContact O-N 3.09Å; Q199-R201 PolarHBondContact O-N 3.47Å
202	T	82.6	Confident	88.2	Confident	67 Å²	67	77.2 Å²	77.2	41%	0.411	36%	0.358	S	S	.	.			trans	-69.5	163.5	165.6	67.3	0	0	0	0	110.2	T197 L198 D200	T197-T202 CarbonylContact C-O 3.49Å; T197-T202 WeakPolarHBondContact CA-O 3.3Å; L198-T202 PolarHBondContact N-O 3.28Å; D200-T202 VanDerWaalsContact CG-OG1 3.28Å; D200-T202 PolarHBondContact O-N 3.34Å; D200-T202 WeakPolarHBondContact OD1-CB 3.28Å; D200-T202 PolarHBondContact OD1-N 3.1Å; D200-T202 PolarHBondContact OD1-OG1 2.95Å; D200-T202 WeakPolarHBondContact OD2-CG2 3.46Å; D200-T202 PolarHBondContact OD2-OG1 2.91Å
203	Q	85.5	Confident	87.7	Confident	34 Å²	34	73.6 Å²	73.6	16%	0.159	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.4	177.1	-76.1	170.4	3.8	0	0	109.7	I168 K196	I168-Q203 PolarHBondContact O-NE2 3.19Å; K196-Q203 WeakPolarHBondContact O-CA 3.41Å
204	K	87.3	Confident	87.3	Confident	143 Å²	143	73.6 Å²	73.6	62%	0.622	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.5	171.9	-177.5	173.9	-176.4	173.5	0	109.1	G195 K196 L198	G195-K204 WeakPolarHBondContact CA-O 3.31Å; K196-K204 PolarHBondContact N-O 3.23Å; K196-K204 PolarHBondContact O-N 3.08Å; L198-K204 HydrophobicContact CD1-CB 4.17Å; L198-K204 HydrophobicContact CD2-CB 4.35Å; L198-K204 HydrophobicContact CG-CB 4.31Å
205	W	90.8	Very high	86.9	Confident	19 Å²	19	72.2 Å²	72.2	7%	0.072	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	152.1	178	-62	86.2	0	0	0	111.9	I165 I168 F180 V182 T193 K194 G195 K207 E208	I165-W205 HydrophobicContact CD1-CD2 4.39Å; I165-W205 HydrophobicContact CD1-CE3 3.92Å; I165-W205 HydrophobicContact CD1-CH2 4.38Å; I165-W205 HydrophobicContact CD1-CZ3 3.93Å; I165-W205 HydrophobicContact CG2-CD2 4.09Å; I165-W205 HydrophobicContact CG2-CE3 4.47Å; I165-W205 HydrophobicContact CG2-CH2 4.01Å; I165-W205 HydrophobicContact CG2-CZ2 3.54Å; I165-W205 HydrophobicContact CG2-CZ3 4.44Å; I168-W205 HydrophobicContact CD1-CH2 3.78Å; I168-W205 HydrophobicContact CD1-CZ2 4.22Å; I168-W205 HydrophobicContact CG1-CH2 4.18Å; I168-W205 HydrophobicContact CG1-CZ2 4.17Å; F180-W205 HydrophobicContact CB-CH2 4.4Å; V182-W205 HydrophobicContact CB-CZ3 4.33Å; V182-W205 HydrophobicContact CG2-CH2 3.74Å; V182-W205 HydrophobicContact CG2-CZ3 3.67Å; T193-W205 HydrophobicContact CG2-CE3 3.87Å; T193-W205 HydrophobicContact CG2-CZ3 4.14Å; K194-W205 VanDerWaalsContact C-CE3 3.43Å; K194-W205 CarbonylContact O-C 3.27Å; K194-W205 WeakPolarHBondContact O-CA 3.37Å; G195-W205 VanDerWaalsContact CA-CD2 3.48Å; W205-K207 VanDerWaalsContact C-N 3.34Å; W205-E208 HydrophobicContact CB-CG 3.56Å; W205-E208 HydrophobicContact CG-CG 4.03Å
206	E	89.6	Confident	86.4	Confident	135 Å²	135	72.4 Å²	72.4	63%	0.631	34%	0.344	S	S	*	.	S	Bend	trans	-67.7	-39	169.9	-68.7	173.2	175.8	0	0	110.9	K194	K194-E206 HydrophobicContact CB-CG 4.31Å; K194-E206 PolarHBondContact N-OE2 2.89Å; K194-E206 PolarHBondContact O-N 3.43Å
207	K	89	Confident	85.8	Confident	126 Å²	126	70 Å²	70	55%	0.548	34%	0.336	S	S	.	.			trans	-146.6	124.5	174.6	-57.8	-178.1	-176.4	-179.5	0	108.4	W191 T193 W205	W191-K207 HydrophobicContact CZ2-CB 3.71Å; W191-K207 WeakPolarHBondContact CZ2-O 3.35Å; T193-K207 VanDerWaalsContact CB-O 3.31Å; T193-K207 WeakPolarHBondContact CB-O 3.16Å; T193-K207 WeakPolarHBondContact CG2-O 3.29Å; T193-K207 PolarHBondContact OG1-N 3.31Å; T193-K207 VanDerWaalsContact OG1-N 3.07Å; T193-K207 PolarHBondContact OG1-O 3.06Å; W205-K207 VanDerWaalsContact C-N 3.34Å
208	E	84.5	Confident	85.6	Confident	101 Å²	101	73.7 Å²	73.7	47%	0.472	35%	0.353	S	S	.	.			trans	-89.6	-26.4	-177.1	-69.7	172.1	171.6	0	0	111.9	I165 W205	I165-E208 PolarHBondContact N-O 3.47Å; W205-E208 HydrophobicContact CB-CG 3.56Å; W205-E208 HydrophobicContact CG-CG 4.03Å
209	Q	89.6	Confident	85.9	Confident	80 Å²	80	72.4 Å²	72.4	37%	0.374	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148	-168.7	-165.3	178.7	99.5	0	0	113.1	V162 V163 D164 W191	V162-Q209 HydrophobicContact CG1-CG 3.33Å; V163-Q209 WeakPolarHBondContact O-CA 3.29Å; D164-Q209 HydrophobicContact CB-CG 4.39Å; D164-Q209 PolarHBondContact OD2-NE2 3.48Å; W191-Q209 VanDerWaalsContact CZ2-O 3.32Å; W191-Q209 WeakPolarHBondContact CZ2-O 3.03Å
210	V	89.4	Confident	86.4	Confident	13 Å²	13	63.7 Å²	63.7	8%	0.079	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	143.6	166.3	60.7	0	0	0	0	111	V162 V163 I184 W191 L212	V162-V210 CarbonylContact C-O 3.49Å; V162-V210 WeakPolarHBondContact CA-O 3.16Å; V163-V210 HydrophobicContact CB-CG1 3.91Å; V163-V210 PolarHBondContact N-O 2.72Å; V163-V210 PolarHBondContact O-N 3.12Å; I184-V210 HydrophobicContact CD1-CG1 4.17Å; W191-V210 HydrophobicContact CB-CB 4.14Å; W191-V210 HydrophobicContact CB-CG1 4.47Å; W191-V210 HydrophobicContact CB-CG2 3.63Å; W191-V210 HydrophobicContact CD2-CB 3.58Å; W191-V210 HydrophobicContact CD2-CG1 3.91Å; W191-V210 HydrophobicContact CD2-CG2 4.08Å; W191-V210 HydrophobicContact CE3-CB 4.07Å; W191-V210 HydrophobicContact CE3-CG1 3.86Å; W191-V210 HydrophobicContact CG-CB 3.62Å; W191-V210 HydrophobicContact CG-CG1 4.21Å; W191-V210 HydrophobicContact CG-CG2 3.54Å; W191-V210 HydrophobicContact CZ2-CB 4.22Å; W191-V210 HydrophobicContact CZ3-CG1 4.21Å; V210-L212 HydrophobicContact CG1-CD1 4.37Å; V210-L212 HydrophobicContact CG1-CG 4.25Å; V210-L212 HydrophobicContact CG2-CD2 3.72Å; V210-L212 HydrophobicContact CG2-CG 4.04Å
211	V	85.9	Confident	87	Confident	57 Å²	57	60.1 Å²	60.1	35%	0.345	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.9	167.5	-166.3	0	0	0	0	108.6	R160 V162	R160-V211 HydrophobicContact CB-CG1 3.93Å; R160-V211 HydrophobicContact CG-CG1 4.2Å; V162-V211 HydrophobicContact CG2-CG1 4.34Å; V162-V211 HydrophobicContact CG2-CG2 4.23Å
212	L	86.3	Confident	87.8	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.3	-178.9	-60	171.9	0	0	0	110	R160 V161 V163 I184 H186 Q189 V210 I220	R160-L212 CarbonylContact C-O 3.6Å; R160-L212 VanDerWaalsContact CA-O 3.23Å; R160-L212 WeakPolarHBondContact CA-O 3.45Å; R160-L212 WeakPolarHBondContact CB-O 3.45Å; V161-L212 HydrophobicContact CG2-CB 4.19Å; V161-L212 PolarHBondContact N-O 3.04Å; V161-L212 PolarHBondContact O-N 3.32Å; V163-L212 HydrophobicContact CG2-CD1 4.25Å; I184-L212 HydrophobicContact CG2-CD1 3.91Å; H186-L212 HydrophobicContact CB-CD1 4.18Å; Q189-L212 HydrophobicContact CB-CD2 3.94Å; V210-L212 HydrophobicContact CG1-CD1 4.37Å; V210-L212 HydrophobicContact CG1-CG 4.25Å; V210-L212 HydrophobicContact CG2-CD2 3.72Å; V210-L212 HydrophobicContact CG2-CG 4.04Å; L212-I220 HydrophobicContact CD1-CD1 4.38Å; L212-I220 HydrophobicContact CD1-CG2 4.5Å
213	T	86.2	Confident	88.4	Confident	27 Å²	27	51.1 Å²	51.1	17%	0.166	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	126.4	167.1	-68.2	0	0	0	0	109.6	H186 Q189 S277	H186-T213 PolarHBondContact CD2-O 2.78Å; H186-T213 PolarHBondContact NE2-O 3.21Å; Q189-T213 PolarHBondContact NE2-O 3.38Å; T213-S277 VanDerWaalsContact CG2-CB 3.42Å
214	C	87.9	Confident	88.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.243	C	C	.	.			trans	-74.4	137.6	179.9	-71.2	0	0	0	0	111.9	M158 G159	M158-C214 HydrophobicContact CB-CB 3.52Å; M158-C214 HydrophobicContact CE-CB 4.11Å; G159-C214 PolarHBondContact O-N 3.39Å
215	V	86	Confident	89	Confident	51 Å²	51	43.4 Å²	43.4	31%	0.309	22%	0.218	S	C	.	.			trans	-121.9	129.4	177.1	-177.1	0	0	0	0	109.6	H186 D217 Q218	H186-V215 PolarHBondContact NE2-N 3.03Å; V215-D217 VanDerWaalsContact C-N 3.32Å; V215-D217 PolarHBondContact O-N 2.82Å; V215-Q218 HydrophobicContact CB-CB 4.1Å; V215-Q218 HydrophobicContact CB-CG 3.93Å; V215-Q218 HydrophobicContact CG1-CB 4.36Å; V215-Q218 HydrophobicContact CG1-CG 3.69Å; V215-Q218 PolarHBondContact O-N 2.98Å
216	P	81.3	Confident	89.1	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.032	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-44.8	-173.9	-30.6	33.5	0	0	0	115.2	R44 V48 L154 A155 M158	R44-P216 PolarHBondContact NE-O 2.96Å; R44-P216 PolarHBondContact NH2-O 2.67Å; V48-P216 HydrophobicContact CG2-CB 4.2Å; L154-P216 HydrophobicContact CB-CG 3.9Å; A155-P216 HydrophobicContact CB-CG 4.37Å; M158-P216 VanDerWaalsContact SD-CA 3.58Å; M158-P216 HydrophobicContact SD-CB 4.07Å; M158-P216 HydrophobicContact SD-CG 3.63Å
217	D	81.1	Confident	89.1	Confident	59 Å²	59	39.1 Å²	39.1	32%	0.316	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	22	-169.6	-63.1	-29.5	0	0	0	114.1	H41 R44 V215	H41-D217 IonicContact CD2-OD2 2.66Å; H41-D217 PolarHBondContact CD2-OD2 3.44Å; H41-D217 IonicContact NE2-OD2 3.57Å; H41-D217 PolarHBondContact NE2-OD2 3.35Å; R44-D217 WeakPolarHBondContact CG-OD1 3.35Å; V215-D217 VanDerWaalsContact C-N 3.32Å; V215-D217 PolarHBondContact O-N 2.82Å
218	Q	85.5	Confident	88.8	Confident	81 Å²	81	40.3 Å²	40.3	38%	0.379	20%	0.203	S	C	.	.			trans	-125.2	135.5	-175.5	-61	-64	-53.7	0	0	112.4	H186 V215	H186-Q218 PolarHBondContact CE1-O 3.35Å; V215-Q218 HydrophobicContact CB-CB 4.1Å; V215-Q218 HydrophobicContact CB-CG 3.93Å; V215-Q218 HydrophobicContact CG1-CB 4.36Å; V215-Q218 HydrophobicContact CG1-CG 3.69Å; V215-Q218 PolarHBondContact O-N 2.98Å
219	S	91.9	Very high	88.1	Confident	37 Å²	37	43.4 Å²	43.4	26%	0.259	22%	0.222	S	C	.	.			trans	-76.8	163.9	165.4	50.4	0	0	0	0	111.3	H186 D221 F240	H186-S219 PolarHBondContact ND1-O 2.94Å; S219-D221 PolarHBondContact OG-OD1 2.78Å; S219-F240 WeakPolarHBondContact CA-O 3.33Å; S219-F240 WeakPolarHBondContact CB-O 3.39Å
220	I	93.8	Very high	87.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	111.5	161	-62.6	175.9	0	0	0	106.7	V161 I184 R185 H186 L212 V222 S239 F240 P242	V161-I220 HydrophobicContact CG2-CD1 3.79Å; I184-I220 HydrophobicContact CG2-CG2 3.56Å; R185-I220 CarbonylContact O-C 3.56Å; R185-I220 WeakPolarHBondContact O-CA 3.49Å; H186-I220 HydrophobicContact CB-CG1 4.11Å; L212-I220 HydrophobicContact CD1-CD1 4.38Å; L212-I220 HydrophobicContact CD1-CG2 4.5Å; I220-V222 HydrophobicContact CG2-CG2 4.21Å; I220-S239 CarbonylContact O-C 3.53Å; I220-S239 WeakPolarHBondContact O-CA 3.38Å; I220-S239 WeakPolarHBondContact O-CB 3.45Å; I220-F240 HydrophobicContact CB-CD1 4.21Å; I220-F240 HydrophobicContact CB-CD2 4.46Å; I220-F240 HydrophobicContact CB-CE1 3.78Å; I220-F240 HydrophobicContact CB-CE2 4.03Å; I220-F240 HydrophobicContact CB-CZ 3.69Å; I220-F240 HydrophobicContact CD1-CE2 3.81Å; I220-F240 HydrophobicContact CD1-CZ 3.88Å; I220-F240 HydrophobicContact CG1-CE2 4.39Å; I220-F240 HydrophobicContact CG1-CZ 4.35Å; I220-F240 HydrophobicContact CG2-CD1 4.42Å; I220-F240 HydrophobicContact CG2-CE1 3.59Å; I220-F240 HydrophobicContact CG2-CE2 4.42Å; I220-F240 HydrophobicContact CG2-CZ 3.61Å; I220-F240 PolarHBondContact N-O 2.81Å; I220-F240 PolarHBondContact O-N 3.2Å; I220-P242 HydrophobicContact CD1-CB 3.99Å; I220-P242 HydrophobicContact CD1-CG 4.39Å; I220-P242 HydrophobicContact CG1-CG 4.39Å
221	D	94.4	Very high	86.4	Confident	32 Å²	32	56.3 Å²	56.3	17%	0.171	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	130	176.8	-59.7	-9.4	0	0	0	109.4	I184 R185 S219 S239	I184-D221 CarbonylContact C-O 3.48Å; I184-D221 VanDerWaalsContact CA-O 3.32Å; I184-D221 WeakPolarHBondContact CA-O 3.4Å; R185-D221 HydrophobicContact CB-CB 4.34Å; R185-D221 PolarHBondContact N-O 3.45Å; R185-D221 IonicContact NE-OD2 3.18Å; R185-D221 IonicContact NH2-OD2 2.66Å; R185-D221 PolarHBondContact O-N 2.89Å; S219-D221 PolarHBondContact OG-OD1 2.78Å; D221-S239 WeakPolarHBondContact OD1-CB 3.35Å
222	V	95.3	Very high	86.2	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	114.4	179.7	-176.7	0	0	0	0	109.1	V182 L183 I184 I220 V224 R238 F240 M255 L265 L267	V182-V222 HydrophobicContact CG1-CG1 4.11Å; L183-V222 WeakPolarHBondContact O-CA 3.15Å; I184-V222 HydrophobicContact CG1-CG1 4.46Å; I184-V222 HydrophobicContact CG1-CG2 4.22Å; I184-V222 HydrophobicContact CG2-CG2 4.37Å; I220-V222 HydrophobicContact CG2-CG2 4.21Å; V222-V224 HydrophobicContact CG1-CG2 4.23Å; V222-R238 PolarHBondContact N-O 2.79Å; V222-R238 PolarHBondContact O-N 2.99Å; V222-F240 HydrophobicContact CG2-CE1 3.95Å; V222-M255 HydrophobicContact CB-CE 4.01Å; V222-M255 HydrophobicContact CB-SD 3.83Å; V222-M255 HydrophobicContact CG1-SD 4.07Å; V222-M255 HydrophobicContact CG2-CE 3.73Å; V222-M255 HydrophobicContact CG2-SD 4.21Å; V222-L265 HydrophobicContact CG1-CD2 3.71Å; V222-L267 HydrophobicContact CG2-CD1 4.17Å
223	K	94.8	Very high	86.2	Confident	68 Å²	68	62.9 Å²	62.9	30%	0.296	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.8	173.4	-177.4	177.8	-174.4	168	0	109.7	L183 S234 N236 D237	L183-K223 HydrophobicContact CB-CB 4.37Å; L183-K223 PolarHBondContact N-O 2.95Å; L183-K223 PolarHBondContact O-N 3.45Å; K223-S234 WeakPolarHBondContact CE-OG 3.06Å; K223-N236 WeakPolarHBondContact CA-O 3.47Å; K223-D237 HydrophobicContact CB-CB 4.47Å; K223-D237 WeakPolarHBondContact CD-OD2 3.19Å; K223-D237 HydrophobicContact CG-CB 4.37Å
224	V	94.1	Very high	86.2	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134	176.7	-169.1	0	0	0	0	110.1	I168 E181 V182 V222 L235 N236 L257 L265	I168-V224 HydrophobicContact CD1-CG1 3.98Å; E181-V224 CarbonylContact O-C 3.59Å; E181-V224 WeakPolarHBondContact O-CA 3.06Å; V182-V224 HydrophobicContact CG2-CG1 4.13Å; V182-V224 HydrophobicContact CG2-CG2 4.19Å; V222-V224 HydrophobicContact CG1-CG2 4.23Å; V224-L235 HydrophobicContact CG1-CD1 4.46Å; V224-L235 PolarHBondContact O-N 3.2Å; V224-N236 PolarHBondContact N-O 3.33Å; V224-N236 PolarHBondContact O-N 3.43Å; V224-L257 HydrophobicContact CB-CD1 4.17Å; V224-L257 HydrophobicContact CB-CD2 3.99Å; V224-L257 HydrophobicContact CG1-CD1 3.83Å; V224-L257 HydrophobicContact CG2-CD1 4.31Å; V224-L257 HydrophobicContact CG2-CD2 3.65Å; V224-L265 HydrophobicContact CG2-CD2 3.81Å
225	S	92.8	Very high	86.1	Confident	13 Å²	13	66.1 Å²	66.1	9%	0.091	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.4	176.5	-54.9	0	0	0	0	111.5	F180 E181 K233	F180-S225 CarbonylContact C-O 3.49Å; F180-S225 WeakPolarHBondContact CA-O 3.27Å; E181-S225 PolarHBondContact N-O 3.45Å; E181-S225 PolarHBondContact O-N 3.2Å; S225-K233 CarbonylContact C-O 3.59Å; S225-K233 VanDerWaalsContact CA-O 3.25Å; S225-K233 WeakPolarHBondContact CA-O 3.41Å
226	E	91.3	Very high	85.9	Confident	37 Å²	37	65.4 Å²	65.4	17%	0.173	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.7	168.9	-172.2	-161.7	138.2	0	0	108.3	F180 R228 S232 K233 L235	F180-E226 HydrophobicContact CE1-CG 4.38Å; E226-R228 IonicContact OE1-CZ 2.7Å; E226-R228 IonicContact OE1-NE 3.51Å; E226-R228 PolarHBondContact OE1-NE 3.37Å; E226-R228 IonicContact OE1-NH2 3.54Å; E226-R228 PolarHBondContact OE1-NH2 3.26Å; E226-R228 IonicContact OE2-NH2 3.78Å; E226-S232 CarbonylContact O-C 3.56Å; E226-S232 WeakPolarHBondContact O-CA 3.38Å; E226-K233 PolarHBondContact N-O 3.31Å; E226-K233 PolarHBondContact O-N 3.09Å; E226-L235 HydrophobicContact CB-CD1 4.16Å; E226-L235 HydrophobicContact CB-CD2 4.05Å; E226-L235 HydrophobicContact CB-CG 4.09Å
227	C	89.3	Confident	86.1	Confident	28 Å²	28	68.5 Å²	68.5	19%	0.189	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.2	179.8	-72.6	0	0	0	0	110.9	V179	V179-C227 HydrophobicContact CB-CB 4.06Å; V179-C227 HydrophobicContact CG1-CB 3.93Å; V179-C227 PolarHBondContact O-N 3.35Å
228	R	82.5	Confident	86.3	Confident	150 Å²	150	70.9 Å²	70.9	57%	0.566	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	159.7	171.4	-52.1	-179.5	177.9	-167.3	-5.9	109.4	E226 F230 K231	E226-R228 IonicContact OE1-CZ 2.7Å; E226-R228 IonicContact OE1-NE 3.51Å; E226-R228 PolarHBondContact OE1-NE 3.37Å; E226-R228 IonicContact OE1-NH2 3.54Å; E226-R228 PolarHBondContact OE1-NH2 3.26Å; E226-R228 IonicContact OE2-NH2 3.78Å; R228-F230 PolarHBondContact O-N 3.31Å; R228-K231 WeakPolarHBondContact CA-O 3.43Å; R228-K231 VanDerWaalsContact CB-O 3.29Å; R228-K231 WeakPolarHBondContact CB-O 3.3Å; R228-K231 PolarHBondContact N-O 3.23Å; R228-K231 PolarHBondContact O-N 3.32Å; R228-K231 VanDerWaalsContact O-N 3.09Å
229	L	70.7	Confident	86.5	Confident	166 Å²	166	68.4 Å²	68.4	87%	0.869	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.9	-36.3	-171.4	-73.4	161.6	0	0	0	115.9
230	F	68.3	Low	86.4	Confident	196 Å²	196	67 Å²	67	86%	0.86	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.8	4.1	178.6	-56.5	-72.5	0	0	0	115	R228	R228-F230 PolarHBondContact O-N 3.31Å
231	K	74.1	Confident	86.3	Confident	168 Å²	168	68.3 Å²	68.3	73%	0.73	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.4	137.8	-176.1	-64.3	-172.5	-178.9	179.3	0	111.6	R228	R228-K231 WeakPolarHBondContact CA-O 3.43Å; R228-K231 VanDerWaalsContact CB-O 3.29Å; R228-K231 WeakPolarHBondContact CB-O 3.3Å; R228-K231 PolarHBondContact N-O 3.23Å; R228-K231 PolarHBondContact O-N 3.32Å; R228-K231 VanDerWaalsContact O-N 3.09Å
232	S	83	Confident	86	Confident	77 Å²	77	66.8 Å²	66.8	54%	0.538	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.1	169.6	-64.1	0	0	0	0	110.9	E226	E226-S232 CarbonylContact O-C 3.56Å; E226-S232 WeakPolarHBondContact O-CA 3.38Å
233	K	86	Confident	85.8	Confident	122 Å²	122	66.9 Å²	66.9	53%	0.53	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.5	176.1	-178.1	-175.8	177.1	-173.7	0	109.7	S225 E226 L235	S225-K233 CarbonylContact C-O 3.59Å; S225-K233 VanDerWaalsContact CA-O 3.25Å; S225-K233 WeakPolarHBondContact CA-O 3.41Å; E226-K233 PolarHBondContact N-O 3.31Å; E226-K233 PolarHBondContact O-N 3.09Å; K233-L235 PolarHBondContact O-N 2.98Å
234	S	86.6	Confident	85.5	Confident	58 Å²	58	68.8 Å²	68.8	41%	0.406	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	126.4	171.8	-157.8	0	0	0	0	109.6	K223	K223-S234 WeakPolarHBondContact CE-OG 3.06Å
235	L	85.1	Confident	85.2	Confident	38 Å²	38	69.8 Å²	69.8	20%	0.199	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-52.3	175.9	-64.1	-179.7	0	0	0	110.4	F180 V224 E226 K233 L257	F180-L235 HydrophobicContact CD1-CD1 3.92Å; F180-L235 HydrophobicContact CE1-CD1 3.87Å; V224-L235 HydrophobicContact CG1-CD1 4.46Å; V224-L235 PolarHBondContact O-N 3.2Å; E226-L235 HydrophobicContact CB-CD1 4.16Å; E226-L235 HydrophobicContact CB-CD2 4.05Å; E226-L235 HydrophobicContact CB-CG 4.09Å; K233-L235 PolarHBondContact O-N 2.98Å; L235-L257 CarbonylContact C-O 3.57Å; L235-L257 HydrophobicContact CB-CB 4.42Å; L235-L257 HydrophobicContact CD1-CD1 4.38Å
236	N	82.1	Confident	85.1	Confident	35 Å²	35	69.6 Å²	69.6	19%	0.187	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	160.6	174.5	-153.2	-3.1	0	0	0	112.5	K223 V224 R238 N256 L257	K223-N236 WeakPolarHBondContact CA-O 3.47Å; V224-N236 PolarHBondContact N-O 3.33Å; V224-N236 PolarHBondContact O-N 3.43Å; N236-R238 WeakPolarHBondContact ND2-CG 3.43Å; N236-N256 PolarHBondContact ND2-O 2.99Å; N236-L257 HydrophobicContact CB-CD2 4.34Å
237	D	85.4	Confident	85	Confident	71 Å²	71	69 Å²	69	38%	0.38	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	112.3	169.1	-155.9	-35.8	0	0	0	106.3	R185 K223	R185-D237 IonicContact NH2-OD1 2.63Å; R185-D237 IonicContact NH2-OD2 3.51Å; K223-D237 HydrophobicContact CB-CB 4.47Å; K223-D237 WeakPolarHBondContact CD-OD2 3.19Å; K223-D237 HydrophobicContact CG-CB 4.37Å
238	R	85.9	Confident	84.7	Confident	109 Å²	109	69.4 Å²	69.4	41%	0.411	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	153.3	-175.7	-74.6	-61.7	-159	-159.4	4.7	109.4	V222 N236 M255	V222-R238 PolarHBondContact N-O 2.79Å; V222-R238 PolarHBondContact O-N 2.99Å; N236-R238 WeakPolarHBondContact ND2-CG 3.43Å; R238-M255 HydrophobicContact CB-SD 4.22Å
239	S	89.5	Confident	84.8	Confident	29 Å²	29	68.1 Å²	68.1	20%	0.203	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	159.2	173.9	67.1	0	0	0	0	112.4	F26 I220 D221	F26-S239 WeakPolarHBondContact CD2-O 3.28Å; I220-S239 CarbonylContact O-C 3.53Å; I220-S239 WeakPolarHBondContact O-CA 3.38Å; I220-S239 WeakPolarHBondContact O-CB 3.45Å; D221-S239 WeakPolarHBondContact OD1-CB 3.35Å
240	F	90.5	Very high	85.4	Confident	7 Å²	7	63.8 Å²	63.8	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	158.3	174.2	63.4	-81.9	0	0	0	110.2	F26 S219 I220 V222 L245 M255 V269	F26-F240 HydrophobicContact CD2-CB 3.85Å; F26-F240 HydrophobicContact CE2-CB 3.78Å; S219-F240 WeakPolarHBondContact CA-O 3.33Å; S219-F240 WeakPolarHBondContact CB-O 3.39Å; I220-F240 HydrophobicContact CB-CD1 4.21Å; I220-F240 HydrophobicContact CB-CD2 4.46Å; I220-F240 HydrophobicContact CB-CE1 3.78Å; I220-F240 HydrophobicContact CB-CE2 4.03Å; I220-F240 HydrophobicContact CB-CZ 3.69Å; I220-F240 HydrophobicContact CD1-CE2 3.81Å; I220-F240 HydrophobicContact CD1-CZ 3.88Å; I220-F240 HydrophobicContact CG1-CE2 4.39Å; I220-F240 HydrophobicContact CG1-CZ 4.35Å; I220-F240 HydrophobicContact CG2-CD1 4.42Å; I220-F240 HydrophobicContact CG2-CE1 3.59Å; I220-F240 HydrophobicContact CG2-CE2 4.42Å; I220-F240 HydrophobicContact CG2-CZ 3.61Å; I220-F240 PolarHBondContact N-O 2.81Å; I220-F240 PolarHBondContact O-N 3.2Å; V222-F240 HydrophobicContact CG2-CE1 3.95Å; F240-L245 HydrophobicContact CD2-CD1 3.61Å; F240-L245 HydrophobicContact CE2-CD1 3.46Å; F240-L245 VanDerWaalsContact CE2-CD1 3.46Å; F240-M255 HydrophobicContact CD1-CE 3.26Å; F240-M255 HydrophobicContact CE1-CE 3.39Å; F240-M255 HydrophobicContact CG-CE 4.4Å; F240-V269 HydrophobicContact CE2-CG2 4.22Å; F240-V269 HydrophobicContact CZ-CG2 4.15Å
241	D	90.2	Very high	86.3	Confident	28 Å²	28	56.9 Å²	56.9	15%	0.15	29%	0.294	C	S	.	.			trans	-93.5	118.6	179	176.3	13.5	0	0	0	110.1	R44 C243 Q244	R44-D241 IonicContact CZ-OD1 3.88Å; R44-D241 IonicContact CZ-OD2 2.77Å; R44-D241 IonicContact NH1-OD1 3.7Å; R44-D241 IonicContact NH1-OD2 3.84Å; R44-D241 PolarHBondContact NH1-OD2 3.14Å; R44-D241 IonicContact NH2-OD1 2.84Å; R44-D241 PolarHBondContact NH2-OD1 3.48Å; R44-D241 IonicContact NH2-OD2 2.9Å; D241-C243 PolarHBondContact O-N 2.95Å; D241-C243 VanDerWaalsContact OD1-CB 3.32Å; D241-C243 WeakPolarHBondContact OD1-CB 3.16Å; D241-C243 PolarHBondContact OD1-N 2.89Å; D241-C243 VanDerWaalsContact OD1-N 3.13Å; D241-Q244 HydrophobicContact CB-CG 4.11Å; D241-Q244 PolarHBondContact O-N 2.92Å; D241-Q244 VanDerWaalsContact O-N 3.15Å
242	P	89.4	Confident	87	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-59.6	-29.1	-179.8	23.7	-33	0	0	0	112.8	I220 Q244 L245 F246	I220-P242 HydrophobicContact CD1-CB 3.99Å; I220-P242 HydrophobicContact CD1-CG 4.39Å; I220-P242 HydrophobicContact CG1-CG 4.39Å; P242-Q244 PolarHBondContact O-N 3.45Å; P242-Q244 VanDerWaalsContact O-N 3.08Å; P242-L245 PolarHBondContact O-N 3.27Å; P242-F246 HydrophobicContact CB-CE1 4.35Å; P242-F246 VanDerWaalsContact O-CD1 3.27Å; P242-F246 WeakPolarHBondContact O-CD1 3.43Å; P242-F246 WeakPolarHBondContact O-CE1 3.45Å
243	C	89.6	Confident	87.3	Confident	4 Å²	4	47.6 Å²	47.6	3%	0.027	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-59.4	-21.5	178.4	-66.1	0	0	0	0	114	R44 S51 M158 D241 L245 F246	R44-C243 PolarHBondContact NH2-SG 3.07Å; R44-C243 VanDerWaalsContact NH2-SG 3.36Å; S51-C243 VanDerWaalsContact CB-O 3.24Å; S51-C243 WeakPolarHBondContact CB-O 3.37Å; S51-C243 PolarHBondContact OG-O 3.16Å; M158-C243 WeakPolarHBondContact CE-SG 3.44Å; D241-C243 PolarHBondContact O-N 2.95Å; D241-C243 VanDerWaalsContact OD1-CB 3.32Å; D241-C243 WeakPolarHBondContact OD1-CB 3.16Å; D241-C243 PolarHBondContact OD1-N 2.89Å; D241-C243 VanDerWaalsContact OD1-N 3.13Å; C243-L245 VanDerWaalsContact C-N 3.31Å; C243-F246 HydrophobicContact CB-CE2 4.32Å
244	Q	88.4	Confident	87.5	Confident	107 Å²	107	42.1 Å²	42.1	50%	0.5	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-80.9	-14.8	178.5	-59.7	-174.9	16.4	0	0	112.9	D241 P242	D241-Q244 HydrophobicContact CB-CG 4.11Å; D241-Q244 PolarHBondContact O-N 2.92Å; D241-Q244 VanDerWaalsContact O-N 3.15Å; P242-Q244 PolarHBondContact O-N 3.45Å; P242-Q244 VanDerWaalsContact O-N 3.08Å
245	L	88.3	Confident	87.6	Confident	23 Å²	23	40.1 Å²	40.1	12%	0.12	21%	0.208	C	C	.	.	S	Bend	trans	-105.5	1.4	-175	-53.4	178.9	0	0	0	113	F240 P242 C243 S247 Q251 V253 V269	F240-L245 HydrophobicContact CD2-CD1 3.61Å; F240-L245 HydrophobicContact CE2-CD1 3.46Å; F240-L245 VanDerWaalsContact CE2-CD1 3.46Å; P242-L245 PolarHBondContact O-N 3.27Å; C243-L245 VanDerWaalsContact C-N 3.31Å; L245-S247 PolarHBondContact O-N 3Å; L245-Q251 HydrophobicContact CB-CB 4.44Å; L245-Q251 HydrophobicContact CB-CG 4.25Å; L245-Q251 HydrophobicContact CD2-CB 4.05Å; L245-Q251 HydrophobicContact CD2-CG 4.36Å; L245-V253 HydrophobicContact CD1-CG2 3.67Å; L245-V253 HydrophobicContact CD2-CG2 4.18Å; L245-V269 HydrophobicContact CD1-CB 3.87Å; L245-V269 HydrophobicContact CD1-CG1 3.8Å; L245-V269 HydrophobicContact CD1-CG2 3.96Å
246	F	91.9	Very high	87.8	Confident	8 Å²	8	39.5 Å²	39.5	4%	0.035	20%	0.204	C	C	.	.			trans	-65.5	104.6	177.2	-66.3	-9.4	0	0	0	110.8	L52 G55 M158 P242 C243 W271	L52-F246 HydrophobicContact CD2-CD2 3.87Å; L52-F246 HydrophobicContact CD2-CE2 3.58Å; L52-F246 HydrophobicContact CG-CD2 4.36Å; L52-F246 HydrophobicContact CG-CE2 4.08Å; G55-F246 WeakPolarHBondContact CA-O 3.33Å; M158-F246 HydrophobicContact CB-CZ 4.12Å; M158-F246 HydrophobicContact CE-CE2 4.06Å; M158-F246 HydrophobicContact CE-CZ 3.68Å; M158-F246 HydrophobicContact CG-CE2 4.1Å; M158-F246 HydrophobicContact CG-CZ 4.08Å; P242-F246 HydrophobicContact CB-CE1 4.35Å; P242-F246 VanDerWaalsContact O-CD1 3.27Å; P242-F246 WeakPolarHBondContact O-CD1 3.43Å; P242-F246 WeakPolarHBondContact O-CE1 3.45Å; C243-F246 HydrophobicContact CB-CE2 4.32Å; F246-W271 HydrophobicContact CB-CD2 3.87Å; F246-W271 HydrophobicContact CB-CE3 3.9Å; F246-W271 HydrophobicContact CB-CG 4.47Å; F246-W271 HydrophobicContact CB-CH2 4.19Å; F246-W271 HydrophobicContact CB-CZ2 4.15Å; F246-W271 HydrophobicContact CB-CZ3 4.08Å; F246-W271 HydrophobicContact CD1-CB 4.36Å; F246-W271 AromaticContact CD1-CD1 3.42Å; F246-W271 VanDerWaalsContact CD1-CD1 3.42Å; F246-W271 AromaticContact CD1-CD2 3.7Å; F246-W271 HydrophobicContact CD1-CD2 3.7Å; F246-W271 AromaticContact CD1-CE2 3.55Å; F246-W271 AromaticContact CD1-CG 3.58Å; F246-W271 HydrophobicContact CD1-CG 3.58Å; F246-W271 HydrophobicContact CD1-CZ2 4.27Å; F246-W271 AromaticContact CD1-NE1 3.41Å; F246-W271 AromaticContact CD2-CZ2 3.96Å; F246-W271 HydrophobicContact CD2-CZ2 3.96Å; F246-W271 AromaticContact CE1-CD1 3.5Å; F246-W271 HydrophobicContact CE1-CD2 4.43Å; F246-W271 AromaticContact CE1-CE2 3.94Å; F246-W271 HydrophobicContact CE1-CG 4.14Å; F246-W271 AromaticContact CE1-NE1 3.37Å; F246-W271 HydrophobicContact CE2-CZ2 4.4Å; F246-W271 AromaticContact CG-CD2 3.87Å; F246-W271 HydrophobicContact CG-CD2 3.87Å; F246-W271 AromaticContact CG-CE2 3.62Å; F246-W271 HydrophobicContact CG-CE3 4.39Å; F246-W271 HydrophobicContact CG-CG 4.25Å; F246-W271 HydrophobicContact CG-CH2 4.41Å; F246-W271 AromaticContact CG-CZ2 3.88Å; F246-W271 HydrophobicContact CG-CZ2 3.88Å; F246-W271 AromaticContact CG-NE1 3.95Å; F246-W271 AromaticContact CZ-NE1 3.87Å
247	S	88.6	Confident	88	Confident	25 Å²	25	38 Å²	38	18%	0.175	20%	0.197	C	C	.	.	S	Bend	trans	-154.7	161.4	-175	-177.2	0	0	0	0	109.2	L245 Q249	L245-S247 PolarHBondContact O-N 3Å; S247-Q249 PolarHBondContact O-N 3.44Å; S247-Q249 PolarHBondContact OG-N 3.47Å
248	S	83.4	Confident	87.9	Confident	36 Å²	36	36.4 Å²	36.4	25%	0.252	19%	0.188	S	C	.	.	S	Bend	trans	-71.6	-15.3	170.8	44.2	0	0	0	0	113.7	S58	S58-S248 PolarHBondContact O-OG 3.38Å; S58-S248 PolarHBondContact OG-N 2.94Å; S58-S248 PolarHBondContact OG-OG 3.16Å
249	Q	83.3	Confident	87.6	Confident	123 Å²	123	37.6 Å²	37.6	58%	0.575	21%	0.213	S	C	*	.	S	Bend	trans	-114.7	144.8	-178	-68	-174.6	-18.2	0	0	112	S247 Q251	S247-Q249 PolarHBondContact O-N 3.44Å; S247-Q249 PolarHBondContact OG-N 3.47Å; Q249-Q251 PolarHBondContact O-NE2 2.91Å
250	P	83.9	Confident	87.1	Confident	76 Å²	76	42.9 Å²	42.9	49%	0.494	24%	0.236	S	C	.	.			trans	-55.4	138.7	171.3	-24.2	34	0	0	0	112.7	V268 T270	P250-V268 HydrophobicContact CB-CG1 3.63Å; P250-T270 WeakPolarHBondContact CB-OG1 3.36Å; P250-T270 HydrophobicContact CG-CG2 4.25Å
251	Q	87.3	Confident	86.5	Confident	51 Å²	51	43.4 Å²	43.4	24%	0.238	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127	-175.8	-59.5	-58.9	-57.3	0	0	111.1	L245 Q249 V253 V269	L245-Q251 HydrophobicContact CB-CB 4.44Å; L245-Q251 HydrophobicContact CB-CG 4.25Å; L245-Q251 HydrophobicContact CD2-CB 4.05Å; L245-Q251 HydrophobicContact CD2-CG 4.36Å; Q249-Q251 PolarHBondContact O-NE2 2.91Å; Q251-V253 PolarHBondContact O-N 3.28Å; Q251-V269 PolarHBondContact N-O 3.05Å; Q251-V269 PolarHBondContact O-N 3.48Å
252	L	88.2	Confident	86	Confident	45 Å²	45	44.8 Å²	44.8	24%	0.236	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	101.6	178.2	176.7	60.7	0	0	0	111.1	P20 T21 K166 Q266 L267 V268	P20-L252 HydrophobicContact CB-CD2 3.93Å; P20-L252 HydrophobicContact CB-CG 4.49Å; T21-L252 PolarHBondContact OG1-O 2.76Å; T21-L252 VanDerWaalsContact OG1-O 3.12Å; K166-L252 HydrophobicContact CD-CD1 4.35Å; L252-Q266 HydrophobicContact CD1-CB 4.08Å; L252-Q266 HydrophobicContact CD1-CG 4.44Å; L252-L267 CarbonylContact C-O 3.59Å; L252-L267 WeakPolarHBondContact CA-O 3.4Å; L252-V268 HydrophobicContact CD1-CG2 4.29Å
253	V	90	Very high	85.9	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.9	175.7	-180	0	0	0	0	109.6	L245 Q251 M255 L267 V269	L245-V253 HydrophobicContact CD1-CG2 3.67Å; L245-V253 HydrophobicContact CD2-CG2 4.18Å; Q251-V253 PolarHBondContact O-N 3.28Å; V253-M255 HydrophobicContact CG1-CE 3.92Å; V253-M255 HydrophobicContact CG1-CG 4.28Å; V253-L267 HydrophobicContact CB-CB 4.37Å; V253-L267 PolarHBondContact N-O 3.37Å; V253-L267 PolarHBondContact O-N 2.92Å; V253-V269 HydrophobicContact CB-CG2 4.47Å; V253-V269 HydrophobicContact CG2-CB 4.49Å; V253-V269 HydrophobicContact CG2-CG2 3.74Å
254	T	89.8	Confident	85.9	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.043	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116.9	178.3	-59.5	0	0	0	0	111.3	K264 L265 Q266	T254-K264 HydrophobicContact CG2-CB 3.98Å; T254-K264 HydrophobicContact CG2-CD 3.69Å; T254-K264 HydrophobicContact CG2-CG 4.42Å; T254-L265 WeakPolarHBondContact CA-O 3.45Å; T254-Q266 HydrophobicContact CG2-CG 4.4Å
255	M	88.9	Confident	86.1	Confident	15 Å²	15	43.4 Å²	43.4	7%	0.074	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.3	-179.5	-59.5	-174.7	-178.3	0	0	111.8	V222 R238 F240 V253 L257 K264 L265 L267	V222-M255 HydrophobicContact CB-CE 4.01Å; V222-M255 HydrophobicContact CB-SD 3.83Å; V222-M255 HydrophobicContact CG1-SD 4.07Å; V222-M255 HydrophobicContact CG2-CE 3.73Å; V222-M255 HydrophobicContact CG2-SD 4.21Å; R238-M255 HydrophobicContact CB-SD 4.22Å; F240-M255 HydrophobicContact CD1-CE 3.26Å; F240-M255 HydrophobicContact CE1-CE 3.39Å; F240-M255 HydrophobicContact CG-CE 4.4Å; V253-M255 HydrophobicContact CG1-CE 3.92Å; V253-M255 HydrophobicContact CG1-CG 4.28Å; M255-L257 PolarHBondContact O-N 2.67Å; M255-K264 CarbonylContact O-C 3.51Å; M255-K264 WeakPolarHBondContact O-CA 3.47Å; M255-L265 HydrophobicContact CB-CB 4.42Å; M255-L265 PolarHBondContact N-O 2.85Å; M255-L265 PolarHBondContact O-N 3.09Å; M255-L267 HydrophobicContact CE-CD1 4.09Å
256	N	88.9	Confident	86.2	Confident	25 Å²	25	44.4 Å²	44.4	13%	0.134	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	121.7	169.2	-66.3	-37.1	0	0	0	109.7	D24 N236 K264	D24-N256 PolarHBondContact OD1-ND2 3.31Å; N236-N256 PolarHBondContact ND2-O 2.99Å; N256-K264 VanDerWaalsContact OD1-CD 3.29Å; N256-K264 WeakPolarHBondContact OD1-CD 3.37Å; N256-K264 WeakPolarHBondContact OD1-CE 3.4Å; N256-K264 PolarHBondContact OD1-NZ 3.39Å
257	L	86.9	Confident	86.2	Confident	4 Å²	4	44 Å²	44	2%	0.021	25%	0.248	C	C	.	.	S	Bend	trans	-92.8	-3.3	-179.3	-62.3	-168.6	0	0	0	114	I168 V224 L235 N236 M255 I263 L265	I168-L257 HydrophobicContact CD1-CD1 4.15Å; I168-L257 HydrophobicContact CG1-CD1 4.28Å; I168-L257 HydrophobicContact CG2-CD1 3.83Å; V224-L257 HydrophobicContact CB-CD1 4.17Å; V224-L257 HydrophobicContact CB-CD2 3.99Å; V224-L257 HydrophobicContact CG1-CD1 3.83Å; V224-L257 HydrophobicContact CG2-CD1 4.31Å; V224-L257 HydrophobicContact CG2-CD2 3.65Å; L235-L257 CarbonylContact C-O 3.57Å; L235-L257 HydrophobicContact CB-CB 4.42Å; L235-L257 HydrophobicContact CD1-CD1 4.38Å; N236-L257 HydrophobicContact CB-CD2 4.34Å; M255-L257 PolarHBondContact O-N 2.67Å; L257-I263 HydrophobicContact CB-CB 4.29Å; L257-I263 HydrophobicContact CB-CG2 4.11Å; L257-I263 HydrophobicContact CD1-CG2 4.05Å; L257-I263 HydrophobicContact CG-CG2 4.45Å; L257-I263 PolarHBondContact N-O 3.36Å; L257-L265 HydrophobicContact CD1-CB 4.13Å; L257-L265 HydrophobicContact CD2-CB 3.85Å; L257-L265 HydrophobicContact CG-CB 4.1Å
258	N	83.6	Confident	86.3	Confident	38 Å²	38	44.7 Å²	44.7	20%	0.203	25%	0.251	C	S	.	.	S	Bend	trans	-143.8	163.7	173.1	63.7	12.7	0	0	0	110.6	M260 G261 T262 I263	N258-M260 PolarHBondContact O-N 2.98Å; N258-M260 VanDerWaalsContact O-N 3.16Å; N258-G261 PolarHBondContact O-N 2.91Å; N258-G261 WeakPolarHBondContact OD1-CA 3.15Å; N258-G261 PolarHBondContact OD1-N 2.69Å; N258-T262 PolarHBondContact ND2-OG1 3.02Å; N258-T262 PolarHBondContact OD1-N 3.17Å; N258-I263 PolarHBondContact OD1-N 2.89Å
259	S	78.4	Confident	86.5	Confident	133 Å²	133	43 Å²	43	93%	0.93	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.9	-179	50.8	0	0	0	0	114.2
260	M	79	Confident	86.7	Confident	140 Å²	140	38.6 Å²	38.6	69%	0.69	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-3.8	177.6	-59	-168.9	78.2	0	0	113.8	N258 T262	N258-M260 PolarHBondContact O-N 2.98Å; N258-M260 VanDerWaalsContact O-N 3.16Å; M260-T262 HydrophobicContact CB-CG2 4Å; M260-T262 PolarHBondContact O-N 3.21Å; M260-T262 VanDerWaalsContact O-N 3.12Å
261	G	78.8	Confident	87.1	Confident	18 Å²	18	35.6 Å²	35.6	19%	0.186	20%	0.199	C	C	.	.	S	Bend	trans	61.8	15.1	-175.6	0	0	0	0	0	115.3	N258 K264	N258-G261 PolarHBondContact O-N 2.91Å; N258-G261 WeakPolarHBondContact OD1-CA 3.15Å; N258-G261 PolarHBondContact OD1-N 2.69Å; G261-K264 WeakPolarHBondContact O-CE 3.38Å
262	T	80.6	Confident	86.8	Confident	58 Å²	58	34.7 Å²	34.7	36%	0.356	20%	0.196	S	C	.	.			trans	-85	-11.5	-175.7	53.4	0	0	0	0	113.9	G170 N258 M260	G170-T262 VanDerWaalsContact CA-O 3.31Å; G170-T262 WeakPolarHBondContact CA-O 3.37Å; N258-T262 PolarHBondContact ND2-OG1 3.02Å; N258-T262 PolarHBondContact OD1-N 3.17Å; M260-T262 HydrophobicContact CB-CG2 4Å; M260-T262 PolarHBondContact O-N 3.21Å; M260-T262 VanDerWaalsContact O-N 3.12Å
263	I	86.7	Confident	86.3	Confident	18 Å²	18	32.7 Å²	32.7	9%	0.092	19%	0.186	C	C	.	.	S	Bend	trans	-125.2	132.3	168.4	-53.7	172.2	0	0	0	106.5	I168 V169 R173 L257 N258	I168-I263 HydrophobicContact CG2-CG2 3.6Å; V169-I263 CarbonylContact O-C 3.56Å; V169-I263 WeakPolarHBondContact O-CA 3.44Å; R173-I263 HydrophobicContact CB-CD1 3.84Å; R173-I263 HydrophobicContact CB-CG1 3.77Å; R173-I263 HydrophobicContact CG-CD1 4.33Å; R173-I263 HydrophobicContact CG-CG1 4.2Å; L257-I263 HydrophobicContact CB-CB 4.29Å; L257-I263 HydrophobicContact CB-CG2 4.11Å; L257-I263 HydrophobicContact CD1-CG2 4.05Å; L257-I263 HydrophobicContact CG-CG2 4.45Å; L257-I263 PolarHBondContact N-O 3.36Å; N258-I263 PolarHBondContact OD1-N 2.89Å
264	K	89.4	Confident	85.4	Confident	64 Å²	64	35.2 Å²	35.2	28%	0.278	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	136.2	-178	-50.3	-167.6	-177.5	-162.5	0	111.2	I168 V169 T254 M255 N256 G261	I168-K264 CarbonylContact C-O 3.57Å; I168-K264 WeakPolarHBondContact CA-O 3.21Å; V169-K264 PolarHBondContact N-O 3.27Å; V169-K264 PolarHBondContact O-N 3.49Å; T254-K264 HydrophobicContact CG2-CB 3.98Å; T254-K264 HydrophobicContact CG2-CD 3.69Å; T254-K264 HydrophobicContact CG2-CG 4.42Å; M255-K264 CarbonylContact O-C 3.51Å; M255-K264 WeakPolarHBondContact O-CA 3.47Å; N256-K264 VanDerWaalsContact OD1-CD 3.29Å; N256-K264 WeakPolarHBondContact OD1-CD 3.37Å; N256-K264 WeakPolarHBondContact OD1-CE 3.4Å; N256-K264 PolarHBondContact OD1-NZ 3.39Å; G261-K264 WeakPolarHBondContact O-CE 3.38Å
265	L	91.9	Very high	84.1	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.3	165.1	173.1	67	0	0	0	108.5	I165 I168 V182 V222 V224 T254 M255 L257 L267	I165-L265 HydrophobicContact CG2-CD1 3.98Å; I168-L265 HydrophobicContact CD1-CD1 4.47Å; I168-L265 HydrophobicContact CG1-CB 4.39Å; I168-L265 HydrophobicContact CG1-CD1 3.7Å; V182-L265 HydrophobicContact CG1-CD2 4.44Å; V222-L265 HydrophobicContact CG1-CD2 3.71Å; V224-L265 HydrophobicContact CG2-CD2 3.81Å; T254-L265 WeakPolarHBondContact CA-O 3.45Å; M255-L265 HydrophobicContact CB-CB 4.42Å; M255-L265 PolarHBondContact N-O 2.85Å; M255-L265 PolarHBondContact O-N 3.09Å; L257-L265 HydrophobicContact CD1-CB 4.13Å; L257-L265 HydrophobicContact CD2-CB 3.85Å; L257-L265 HydrophobicContact CG-CB 4.1Å; L265-L267 HydrophobicContact CD1-CD2 3.98Å; L265-L267 HydrophobicContact CD2-CD1 4.18Å; L265-L267 HydrophobicContact CD2-CD2 3.95Å; L265-L267 HydrophobicContact CD2-CG 4.05Å; L265-L267 HydrophobicContact CG-CD2 3.95Å; L265-L267 HydrophobicContact CG-CG 4.02Å
266	Q	90.3	Very high	82.3	Confident	44 Å²	44	39.4 Å²	39.4	21%	0.206	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.5	170.5	-70.7	-172.9	-2.4	0	0	109.4	K166 A167 V169 L252 T254	K166-Q266 HydrophobicContact CB-CB 4.14Å; K166-Q266 PolarHBondContact N-O 3.06Å; A167-Q266 PolarHBondContact N-O 3.34Å; A167-Q266 PolarHBondContact O-N 3.15Å; V169-Q266 HydrophobicContact CG2-CG 4.4Å; L252-Q266 HydrophobicContact CD1-CB 4.08Å; L252-Q266 HydrophobicContact CD1-CG 4.44Å; T254-Q266 HydrophobicContact CG2-CG 4.4Å
267	L	92.4	Very high	80.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.3	173.9	-58.4	176.8	0	0	0	109.4	V163 D164 I165 V222 L252 V253 M255 L265	V163-L267 HydrophobicContact CG1-CB 4.24Å; V163-L267 HydrophobicContact CG1-CD1 3.92Å; V163-L267 HydrophobicContact CG1-CD2 4.25Å; V163-L267 HydrophobicContact CG1-CG 4.36Å; D164-L267 CarbonylContact O-C 3.45Å; D164-L267 WeakPolarHBondContact O-CA 3.35Å; I165-L267 HydrophobicContact CB-CD2 4.31Å; I165-L267 HydrophobicContact CG1-CD2 3.77Å; V222-L267 HydrophobicContact CG2-CD1 4.17Å; L252-L267 CarbonylContact C-O 3.59Å; L252-L267 WeakPolarHBondContact CA-O 3.4Å; V253-L267 HydrophobicContact CB-CB 4.37Å; V253-L267 PolarHBondContact N-O 3.37Å; V253-L267 PolarHBondContact O-N 2.92Å; M255-L267 HydrophobicContact CE-CD1 4.09Å; L265-L267 HydrophobicContact CD1-CD2 3.98Å; L265-L267 HydrophobicContact CD2-CD1 4.18Å; L265-L267 HydrophobicContact CD2-CD2 3.95Å; L265-L267 HydrophobicContact CD2-CG 4.05Å; L265-L267 HydrophobicContact CG-CD2 3.95Å; L265-L267 HydrophobicContact CG-CG 4.02Å
268	V	89.8	Confident	77.5	Confident	39 Å²	39	46.8 Å²	46.8	24%	0.236	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.5	164.5	179.8	0	0	0	0	107.7	D164 K166 P250 L252	D164-V268 HydrophobicContact CB-CB 4.3Å; D164-V268 PolarHBondContact N-O 3.47Å; D164-V268 PolarHBondContact O-N 3.21Å; K166-V268 HydrophobicContact CB-CG2 4.46Å; K166-V268 HydrophobicContact CD-CG2 4.4Å; P250-V268 HydrophobicContact CB-CG1 3.63Å; L252-V268 HydrophobicContact CD1-CG2 4.29Å
269	V	89.6	Confident	74.9	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116.7	179.5	-175.1	0	0	0	0	109.1	V161 V162 V163 F240 L245 Q251 V253	V161-V269 HydrophobicContact CB-CG1 4.07Å; V161-V269 HydrophobicContact CG1-CG1 4.14Å; V162-V269 CarbonylContact O-C 3.58Å; V162-V269 VanDerWaalsContact O-CA 3.29Å; V162-V269 WeakPolarHBondContact O-CA 3.41Å; V163-V269 HydrophobicContact CG1-CG2 4.41Å; V163-V269 HydrophobicContact CG2-CG1 4.48Å; V163-V269 HydrophobicContact CG2-CG2 4.38Å; F240-V269 HydrophobicContact CE2-CG2 4.22Å; F240-V269 HydrophobicContact CZ-CG2 4.15Å; L245-V269 HydrophobicContact CD1-CB 3.87Å; L245-V269 HydrophobicContact CD1-CG1 3.8Å; L245-V269 HydrophobicContact CD1-CG2 3.96Å; Q251-V269 PolarHBondContact N-O 3.05Å; Q251-V269 PolarHBondContact O-N 3.48Å; V253-V269 HydrophobicContact CB-CG2 4.47Å; V253-V269 HydrophobicContact CG2-CB 4.49Å; V253-V269 HydrophobicContact CG2-CG2 3.74Å
270	T	87	Confident	72.3	Confident	29 Å²	29	48 Å²	48	18%	0.178	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.9	178.7	-55.6	0	0	0	0	109.3	V161 V162 P250 L272	V161-T270 CarbonylContact C-O 3.58Å; V161-T270 WeakPolarHBondContact CA-O 3.44Å; V162-T270 PolarHBondContact N-O 2.75Å; V162-T270 PolarHBondContact O-N 3.12Å; P250-T270 WeakPolarHBondContact CB-OG1 3.36Å; P250-T270 HydrophobicContact CG-CG2 4.25Å; T270-L272 HydrophobicContact CG2-CD2 4.14Å
271	W	91.2	Very high	69.9	Low	13 Å²	13	46.7 Å²	46.7	5%	0.049	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.2	177.4	-177.6	46.4	0	0	0	110.8	L52 G55 F56 M158 V161 F246 P273	L52-W271 HydrophobicContact CD2-CH2 4.47Å; L52-W271 HydrophobicContact CD2-CZ2 3.8Å; G55-W271 VanDerWaalsContact C-CZ3 3.43Å; F56-W271 HydrophobicContact CD1-CH2 4.06Å; F56-W271 HydrophobicContact CE1-CH2 4.11Å; F56-W271 HydrophobicContact CG-CH2 4.39Å; F56-W271 HydrophobicContact CZ-CH2 4.46Å; M158-W271 PolarHBondContact O-NE1 2.78Å; V161-W271 HydrophobicContact CG1-CB 4.42Å; F246-W271 HydrophobicContact CB-CD2 3.87Å; F246-W271 HydrophobicContact CB-CE3 3.9Å; F246-W271 HydrophobicContact CB-CG 4.47Å; F246-W271 HydrophobicContact CB-CH2 4.19Å; F246-W271 HydrophobicContact CB-CZ2 4.15Å; F246-W271 HydrophobicContact CB-CZ3 4.08Å; F246-W271 HydrophobicContact CD1-CB 4.36Å; F246-W271 AromaticContact CD1-CD1 3.42Å; F246-W271 VanDerWaalsContact CD1-CD1 3.42Å; F246-W271 AromaticContact CD1-CD2 3.7Å; F246-W271 HydrophobicContact CD1-CD2 3.7Å; F246-W271 AromaticContact CD1-CE2 3.55Å; F246-W271 AromaticContact CD1-CG 3.58Å; F246-W271 HydrophobicContact CD1-CG 3.58Å; F246-W271 HydrophobicContact CD1-CZ2 4.27Å; F246-W271 AromaticContact CD1-NE1 3.41Å; F246-W271 AromaticContact CD2-CZ2 3.96Å; F246-W271 HydrophobicContact CD2-CZ2 3.96Å; F246-W271 AromaticContact CE1-CD1 3.5Å; F246-W271 HydrophobicContact CE1-CD2 4.43Å; F246-W271 AromaticContact CE1-CE2 3.94Å; F246-W271 HydrophobicContact CE1-CG 4.14Å; F246-W271 AromaticContact CE1-NE1 3.37Å; F246-W271 HydrophobicContact CE2-CZ2 4.4Å; F246-W271 AromaticContact CG-CD2 3.87Å; F246-W271 HydrophobicContact CG-CD2 3.87Å; F246-W271 AromaticContact CG-CE2 3.62Å; F246-W271 HydrophobicContact CG-CE3 4.39Å; F246-W271 HydrophobicContact CG-CG 4.25Å; F246-W271 HydrophobicContact CG-CH2 4.41Å; F246-W271 AromaticContact CG-CZ2 3.88Å; F246-W271 HydrophobicContact CG-CZ2 3.88Å; F246-W271 AromaticContact CG-NE1 3.95Å; F246-W271 AromaticContact CZ-NE1 3.87Å; W271-P273 VanDerWaalsContact C-CD 3.45Å; W271-P273 HydrophobicContact CD2-CB 4.22Å; W271-P273 HydrophobicContact CD2-CG 4.13Å; W271-P273 HydrophobicContact CE3-CB 4.44Å; W271-P273 HydrophobicContact CE3-CG 4.03Å; W271-P273 HydrophobicContact CH2-CB 3.85Å; W271-P273 HydrophobicContact CH2-CG 4.13Å; W271-P273 HydrophobicContact CZ2-CB 3.58Å; W271-P273 HydrophobicContact CZ2-CG 4.2Å; W271-P273 HydrophobicContact CZ3-CB 4.25Å; W271-P273 HydrophobicContact CZ3-CG 4.01Å; W271-P273 VanDerWaalsContact O-CD 3.31Å; W271-P273 WeakPolarHBondContact O-CD 3.17Å
272	L	82.6	Confident	67.4	Low	32 Å²	32	55.3 Å²	55.3	17%	0.168	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	75.8	179.7	-62.5	-175.4	0	0	0	109.5	R160 V162 T270 L274 L275	R160-L272 HydrophobicContact CB-CB 4.48Å; R160-L272 PolarHBondContact N-O 3.38Å; R160-L272 PolarHBondContact O-N 2.88Å; V162-L272 HydrophobicContact CG2-CD1 3.4Å; V162-L272 HydrophobicContact CG2-CG 4.04Å; T270-L272 HydrophobicContact CG2-CD2 4.14Å; L272-L274 VanDerWaalsContact C-N 3.25Å; L272-L274 PolarHBondContact O-N 2.66Å; L272-L275 HydrophobicContact CB-CB 4.39Å; L272-L275 HydrophobicContact CB-CD1 4.1Å; L272-L275 HydrophobicContact CB-CG 4.22Å; L272-L275 HydrophobicContact CD1-CD1 3.6Å; L272-L275 HydrophobicContact CG-CD1 4.49Å; L272-L275 PolarHBondContact O-N 2.84Å
273	P	77.3	Confident	65	Low	4 Å²	4	55.4 Å²	55.4	3%	0.026	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.8	-176.2	21.9	-34.3	0	0	0	115.2	F56 Y101 W271	F56-P273 HydrophobicContact CE1-CB 3.8Å; F56-P273 HydrophobicContact CE1-CG 4.5Å; F56-P273 HydrophobicContact CZ-CB 4.43Å; Y101-P273 HydrophobicContact CE1-CG 3.7Å; W271-P273 VanDerWaalsContact C-CD 3.45Å; W271-P273 HydrophobicContact CD2-CB 4.22Å; W271-P273 HydrophobicContact CD2-CG 4.13Å; W271-P273 HydrophobicContact CE3-CB 4.44Å; W271-P273 HydrophobicContact CE3-CG 4.03Å; W271-P273 HydrophobicContact CH2-CB 3.85Å; W271-P273 HydrophobicContact CH2-CG 4.13Å; W271-P273 HydrophobicContact CZ2-CB 3.58Å; W271-P273 HydrophobicContact CZ2-CG 4.2Å; W271-P273 HydrophobicContact CZ3-CB 4.25Å; W271-P273 HydrophobicContact CZ3-CG 4.01Å; W271-P273 VanDerWaalsContact O-CD 3.31Å; W271-P273 WeakPolarHBondContact O-CD 3.17Å
274	L	71.3	Confident	62	Low	58 Å²	58	61.4 Å²	61.4	30%	0.304	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-16.5	-177.9	-56.1	-175.1	0	0	0	112.8	I100 Y101 R104 L272 A276	I100-L274 HydrophobicContact CG2-CD1 4Å; I100-L274 HydrophobicContact CG2-CD2 3.57Å; I100-L274 HydrophobicContact CG2-CG 4.46Å; Y101-L274 HydrophobicContact CD1-CD2 4.32Å; Y101-L274 HydrophobicContact CE1-CD1 4.22Å; Y101-L274 HydrophobicContact CE1-CD2 3.82Å; Y101-L274 HydrophobicContact CE1-CG 3.94Å; Y101-L274 HydrophobicContact CE2-CD1 4.34Å; R104-L274 HydrophobicContact CG-CD2 4.33Å; L272-L274 VanDerWaalsContact C-N 3.25Å; L272-L274 PolarHBondContact O-N 2.66Å; L274-A276 PolarHBondContact O-N 2.92Å
275	L	61.6	Low	59.3	Low	65 Å²	65	63.7 Å²	63.7	34%	0.34	36%	0.361	S	S	.	.	S	Bend	trans	-85.5	95.3	173.4	-61.8	-173.9	0	0	0	109.6	G159 R160 L272	G159-L275 CarbonylContact C-O 3.5Å; G159-L275 VanDerWaalsContact C-O 3.32Å; G159-L275 WeakPolarHBondContact CA-O 3.35Å; R160-L275 HydrophobicContact CB-CB 4.43Å; R160-L275 HydrophobicContact CG-CB 4.35Å; R160-L275 WeakPolarHBondContact CG-O 3.37Å; R160-L275 PolarHBondContact N-O 3.44Å; L272-L275 HydrophobicContact CB-CB 4.39Å; L272-L275 HydrophobicContact CB-CD1 4.1Å; L272-L275 HydrophobicContact CB-CG 4.22Å; L272-L275 HydrophobicContact CD1-CD1 3.6Å; L272-L275 HydrophobicContact CG-CD1 4.49Å; L272-L275 PolarHBondContact O-N 2.84Å
276	A	51.4	Low	56.2	Low	45 Å²	45	68 Å²	68	37%	0.372	40%	0.396	S	S	.	.			trans	-61.8	174.6	173.2	0	0	0	0	0	112.2	R160 L274 K278	R160-A276 VanDerWaalsContact CZ-O 3.23Å; R160-A276 PolarHBondContact NE-O 3.38Å; R160-A276 PolarHBondContact NH2-O 3Å; L274-A276 PolarHBondContact O-N 2.92Å; A276-K278 VanDerWaalsContact C-N 3.25Å; A276-K278 PolarHBondContact O-N 2.77Å
277	S	42.8	Very low	53.2	Low	47 Å²	47	71.3 Å²	71.3	33%	0.329	42%	0.422	S	S	.	.	S	Bend	trans	-68.8	-1.4	-165.8	55.2	0	0	0	0	117.6	T213	T213-S277 VanDerWaalsContact CG2-CB 3.42Å
278	K	32.2	Very low	50.2	Low	136 Å²	136	79 Å²	79	59%	0.591	46%	0.463	S	S	*	.	S	Bend	trans	-130.4	153.8	179.5	-61	-178.6	-175.5	175	0	112.1	R160 A276 E680	R160-K278 PolarHBondContact NH2-O 3.31Å; A276-K278 VanDerWaalsContact C-N 3.25Å; A276-K278 PolarHBondContact O-N 2.77Å; K278-E680 IonicContact NZ-OE2 3.36Å
279	S	28.2	Very low	47.5	Very low	82 Å²	82	82.4 Å²	82.4	57%	0.573	49%	0.486	S	S	*	.			trans	78.6	135.4	-174.5	89.7	0	0	0	0	117.5	R160	R160-S279 PolarHBondContact NH1-O 3.07Å; R160-S279 PolarHBondContact NH2-O 3.24Å
280	S	25.4	Very low	44.8	Very low	116 Å²	116	88.3 Å²	88.3	81%	0.811	52%	0.524	S	S	*	.			trans	-119.3	99.4	179.8	165	0	0	0	0	110.3
281	T	27	Very low	41.9	Very low	111 Å²	111	96.3 Å²	96.3	68%	0.681	56%	0.56	S	S	*	*			trans	-112.3	142.3	163.5	31.3	0	0	0	0	109.7
282	K	27.6	Very low	39.1	Very low	199 Å²	199	103.3 Å²	103.3	87%	0.865	60%	0.597	S	S	*	*			trans	-65.9	137.7	-177.5	-67.8	177.1	179.1	174.7	0	110.2	T284	K282-T284 PolarHBondContact O-N 3.31Å
283	P	28.8	Very low	36.5	Very low	60 Å²	60	109.8 Å²	109.8	39%	0.39	63%	0.631	S	S	.	*			trans	-75	124.3	173	30	-32.3	0	0	0	110.7
284	T	25.4	Very low	34	Very low	144 Å²	144	112.3 Å²	112.3	88%	0.883	66%	0.658	S	S	*	*			trans	-89.7	99.3	159.6	-57.8	0	0	0	0	107.7	K282	K282-T284 PolarHBondContact O-N 3.31Å
285	I	31.1	Very low	31.8	Very low	113 Å²	113	115.6 Å²	115.6	58%	0.579	68%	0.681	S	S	*	*			trans	-115	112.8	165.1	-62.3	174.5	0	0	0	105.8	P287	I285-P287 WeakPolarHBondContact O-CD 3.44Å
286	A	26.8	Very low	30	Very low	89 Å²	89	118.5 Å²	118.5	74%	0.736	70%	0.701	S	S	*	*			trans	-72.9	124.1	172.5	0	0	0	0	0	109.5
287	P	28.8	Very low	28.8	Very low	115 Å²	115	121.5 Å²	121.5	75%	0.747	72%	0.715	S	S	*	*			trans	-101.9	107.2	174.4	33.7	-22.9	0	0	0	110.2	I285	I285-P287 WeakPolarHBondContact O-CD 3.44Å
288	N	28.2	Very low	28	Very low	160 Å²	160	126.1 Å²	126.1	86%	0.856	74%	0.735	S	S	*	*			trans	-118.7	127	164	-86.3	-17.9	0	0	0	109.9
289	P	33.7	Very low	27.6	Very low	112 Å²	112	125 Å²	125	73%	0.727	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-84.2	147.5	172.1	34.2	-32.6	0	0	0	110.9
290	P	32.7	Very low	27.4	Very low	124 Å²	124	131.4 Å²	131.4	81%	0.805	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-82.4	125.6	171.2	31.3	-31.5	0	0	0	111.4
291	E	27	Very low	27.3	Very low	198 Å²	198	135.5 Å²	135.5	93%	0.925	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-73.9	161.2	159.4	-71.1	-172.9	137.8	0	0	110.7
292	I	31.6	Very low	27.5	Very low	160 Å²	160	135.2 Å²	135.2	82%	0.821	75%	0.75	S	S	*	*			trans	-110	118.8	-169.9	-61.5	170.4	0	0	0	110.4
293	D	27.1	Very low	27.2	Very low	167 Å²	167	137.5 Å²	137.5	89%	0.893	75%	0.753	S	S	*	*			trans	-175.2	149.1	144.6	-98.8	-20.2	0	0	0	107.5
294	G	25.4	Very low	26.8	Very low	57 Å²	57	141.6 Å²	141.6	59%	0.588	77%	0.77	S	S	*	*			cis	-179.9	155.3	-6.6	0	0	0	0	0	109.9
295	T	24.5	Very low	26.6	Very low	128 Å²	128	141.1 Å²	141.1	79%	0.785	77%	0.767	S	S	*	*			trans	59.8	115.8	162	36.3	0	0	0	0	122.2
296	T	24.5	Very low	26.1	Very low	125 Å²	125	143.1 Å²	143.1	77%	0.767	78%	0.778	S	S	*	*			trans	66.3	147.8	134.2	56.6	0	0	0	0	120.6
297	T	25.3	Very low	25.9	Very low	109 Å²	109	150.8 Å²	150.8	67%	0.669	79%	0.788	S	S	*	*			cis	-156.1	148.9	9.7	23.2	0	0	0	0	110.8
298	I	26.1	Very low	25.6	Very low	143 Å²	143	152.2 Å²	152.2	73%	0.733	79%	0.785	S	S	*	*				29.3	131.8	128.2	-26.1	165.6	0	0	0	117
299	D	23.3	Very low	25.4	Very low	112 Å²	112	152.6 Å²	152.6	60%	0.599	78%	0.779	S	S	*	*			cis	-170.4	175.5	31.2	-151.2	-7	0	0	0	113.9
300	R	25.1	Very low	24.9	Very low	218 Å²	218	157.3 Å²	157.3	82%	0.823	79%	0.787	S	S	*	*			trans	83.3	113.4	149.9	-77.6	153.7	-150.2	-145.9	1	122.5
301	K	23.3	Very low	24.8	Very low	202 Å²	202	163.2 Å²	163.2	88%	0.878	79%	0.794	S	S	*	*			trans	-88.9	-170.6	170.3	-134.7	-175.3	-173.4	172.9	0	110.1
302	P	30.9	Very low	24.9	Very low	105 Å²	105	157.3 Å²	157.3	68%	0.682	79%	0.786	S	S	*	*				-117	-169.1	-119.3	42.3	-26.2	0	0	0	114
303	R	20.4	Very low	24.8	Very low	247 Å²	247	153 Å²	153	93%	0.932	77%	0.771	S	S	*	*			trans	-138.9	131.5	161.4	-130.9	175.5	-168.4	174.9	4.4	113.2
304	I	22	Very low	24.9	Very low	145 Å²	145	148.9 Å²	148.9	74%	0.744	76%	0.76	S	S	*	*			trans	-111	134.3	177.3	-63.8	161.7	0	0	0	108
305	V	21.5	Very low	25.1	Very low	134 Å²	134	150.4 Å²	150.4	81%	0.812	77%	0.767	S	S	*	*			trans	-148.5	112.7	144.9	-170.2	0	0	0	0	112
306	L	19.8	Very low	25.4	Very low	156 Å²	156	154.1 Å²	154.1	82%	0.817	77%	0.766	S	S	*	*			trans	1.2	137.5	144.7	-57	157.9	0	0	0	119.8
307	R	22.5	Very low	25.7	Very low	249 Å²	249	151.3 Å²	151.3	94%	0.94	75%	0.749	S	S	*	*				178.1	153.9	91.2	-169.6	161.9	179.1	147.7	-2.1	112.8
308	E	23.2	Very low	26	Very low	146 Å²	146	148.3 Å²	148.3	68%	0.682	74%	0.735	S	S	*	*			trans	-83.2	166.7	-166.9	-55.2	-175	116.4	0	0	118.1
309	K	23.5	Very low	26.1	Very low	168 Å²	168	146.4 Å²	146.4	73%	0.73	72%	0.724	S	S	*	*			trans	80.7	108.8	140.3	-87.7	163.4	-174.7	140	0	120
310	K	24	Very low	26.4	Very low	210 Å²	210	147.3 Å²	147.3	91%	0.913	72%	0.723	S	S	*	*				-144.9	123	112.8	-155.8	167.4	-175.8	176.3	0	111.2
311	R	30.3	Very low	26.5	Very low	248 Å²	248	143 Å²	143	94%	0.936	71%	0.712	S	S	*	*			trans	-67.5	133.7	170.8	-80.2	-178	170.4	-167	-2.7	109
312	G	28	Very low	26.8	Very low	75 Å²	75	140.1 Å²	140.1	77%	0.773	70%	0.702	S	S	*	*			trans	146.3	41.4	173.6	0	0	0	0	0	116.1
313	S	30.7	Very low	26.9	Very low	70 Å²	70	138.8 Å²	138.8	49%	0.49	68%	0.683	S	S	.	*			trans	-153	-29.1	174.8	-161.7	0	0	0	0	114.9	A315 R316 V317	S313-A315 VanDerWaalsContact C-N 3.27Å; S313-A315 PolarHBondContact O-N 2.99Å; S313-R316 PolarHBondContact O-N 3.39Å; S313-V317 PolarHBondContact O-N 3.41Å; S313-V317 VanDerWaalsContact O-N 3.09Å
314	A	29.4	Very low	27.3	Very low	80 Å²	80	135 Å²	135	66%	0.661	67%	0.669	S	S	*	*	H	α-helix	trans	-51.7	-36.2	-172.6	0	0	0	0	0	115.6	R316 V317 A318	A314-R316 VanDerWaalsContact C-N 3.33Å; A314-R316 PolarHBondContact O-N 3.09Å; A314-V317 PolarHBondContact O-N 3.01Å; A314-A318 VanDerWaalsContact O-CB 3.31Å; A314-A318 WeakPolarHBondContact O-CB 3.44Å; A314-A318 PolarHBondContact O-N 3.41Å
315	A	29.3	Very low	27.6	Very low	89 Å²	89	132.3 Å²	132.3	74%	0.736	66%	0.656	S	S	*	*	H	α-helix	trans	-69.2	-26.5	177	0	0	0	0	0	113.9	S313 M319	S313-A315 VanDerWaalsContact C-N 3.27Å; S313-A315 PolarHBondContact O-N 2.99Å; A315-M319 WeakPolarHBondContact O-CB 3.32Å
316	R	29.9	Very low	28	Very low	205 Å²	205	126.9 Å²	126.9	77%	0.774	62%	0.624	S	S	*	*	H	α-helix	trans	-84.4	-33.6	173.3	-59.3	-173.1	-161	174.7	6	111.7	S313 A314 K320	S313-R316 PolarHBondContact O-N 3.39Å; A314-R316 VanDerWaalsContact C-N 3.33Å; A314-R316 PolarHBondContact O-N 3.09Å; R316-K320 WeakPolarHBondContact O-CB 3.45Å; R316-K320 PolarHBondContact O-N 3.26Å; R316-K320 VanDerWaalsContact O-N 3.08Å
317	V	31.2	Very low	28.6	Very low	66 Å²	66	120 Å²	120	40%	0.4	59%	0.589	S	S	.	*	H	α-helix	trans	-71.9	-47.1	178.3	179.3	0	0	0	0	111.1	S313 A314 M319 K320 E321	S313-V317 PolarHBondContact O-N 3.41Å; S313-V317 VanDerWaalsContact O-N 3.09Å; A314-V317 PolarHBondContact O-N 3.01Å; V317-M319 VanDerWaalsContact C-N 3.26Å; V317-M319 PolarHBondContact O-N 3.03Å; V317-K320 CarbonylContact O-C 3.32Å; V317-K320 WeakPolarHBondContact O-CA 3.35Å; V317-K320 WeakPolarHBondContact O-CB 3.47Å; V317-K320 PolarHBondContact O-N 2.7Å; V317-E321 PolarHBondContact O-N 3.38Å
318	A	31.3	Very low	29	Very low	47 Å²	47	113.2 Å²	113.2	39%	0.388	57%	0.571	S	S	.	*	H	α-helix	trans	-59.1	-38.9	175.5	0	0	0	0	0	112.1	A314 K320 E321 Q322	A314-A318 VanDerWaalsContact O-CB 3.31Å; A314-A318 WeakPolarHBondContact O-CB 3.44Å; A314-A318 PolarHBondContact O-N 3.41Å; A318-K320 VanDerWaalsContact C-N 3.3Å; A318-K320 PolarHBondContact O-N 2.74Å; A318-E321 PolarHBondContact O-N 3.48Å; A318-Q322 WeakPolarHBondContact O-CB 3.39Å; A318-Q322 WeakPolarHBondContact O-CG 3.38Å; A318-Q322 PolarHBondContact O-N 3.23Å
319	M	28.1	Very low	29.4	Very low	102 Å²	102	109.4 Å²	109.4	50%	0.502	55%	0.554	S	S	.	*	H	α-helix	trans	-68.5	-28	175	-162	171.6	-161.8	0	0	112.7	A315 V317 W323	A315-M319 WeakPolarHBondContact O-CB 3.32Å; V317-M319 VanDerWaalsContact C-N 3.26Å; V317-M319 PolarHBondContact O-N 3.03Å; M319-W323 WeakPolarHBondContact O-CB 3.38Å; M319-W323 PolarHBondContact O-N 2.7Å
320	K	29.1	Very low	29.8	Very low	132 Å²	132	102.5 Å²	102.5	57%	0.574	53%	0.525	S	S	*	.	H	α-helix	trans	-81.5	-30.3	176.5	-165	171.1	-174.8	172.6	0	112.8	R316 V317 A318 R324	R316-K320 WeakPolarHBondContact O-CB 3.45Å; R316-K320 PolarHBondContact O-N 3.26Å; R316-K320 VanDerWaalsContact O-N 3.08Å; V317-K320 CarbonylContact O-C 3.32Å; V317-K320 WeakPolarHBondContact O-CA 3.35Å; V317-K320 WeakPolarHBondContact O-CB 3.47Å; V317-K320 PolarHBondContact O-N 2.7Å; A318-K320 VanDerWaalsContact C-N 3.3Å; A318-K320 PolarHBondContact O-N 2.74Å; K320-R324 PolarHBondContact O-N 3.12Å
321	E	28	Very low	30.3	Very low	127 Å²	127	97.1 Å²	97.1	59%	0.593	51%	0.506	S	S	*	.	H	α-helix	trans	-78.2	-41.8	174.2	-74.5	177.1	139.6	0	0	112.4	V317 A318 W323 R324 N325	V317-E321 PolarHBondContact O-N 3.38Å; A318-E321 PolarHBondContact O-N 3.48Å; E321-W323 PolarHBondContact O-N 2.96Å; E321-R324 PolarHBondContact O-N 2.94Å; E321-N325 PolarHBondContact O-N 2.83Å
322	Q	30.7	Very low	30.4	Very low	142 Å²	142	87.4 Å²	87.4	66%	0.664	48%	0.476	S	S	*	.	H	α-helix	trans	-56.3	-39.9	169.3	-75.5	-174	-76.2	0	0	111.2	A318 N325 S326	A318-Q322 WeakPolarHBondContact O-CB 3.39Å; A318-Q322 WeakPolarHBondContact O-CG 3.38Å; A318-Q322 PolarHBondContact O-N 3.23Å; Q322-N325 PolarHBondContact O-N 3.48Å; Q322-S326 PolarHBondContact O-N 3.42Å
323	W	32.8	Very low	30.6	Very low	76 Å²	76	85.1 Å²	85.1	29%	0.288	45%	0.446	S	S	.	.	H	α-helix	trans	-69.1	-33.9	-178.6	-176	70	0	0	0	113.3	M319 E321 N325 S326 T327 V791	M319-W323 WeakPolarHBondContact O-CB 3.38Å; M319-W323 PolarHBondContact O-N 2.7Å; E321-W323 PolarHBondContact O-N 2.96Å; W323-N325 VanDerWaalsContact C-N 3.31Å; W323-N325 PolarHBondContact O-N 3.1Å; W323-S326 PolarHBondContact O-N 3.24Å; W323-S326 PolarHBondContact O-OG 2.81Å; W323-T327 HydrophobicContact CH2-CG2 3.6Å; W323-T327 HydrophobicContact CZ2-CG2 3.25Å; W323-T327 PolarHBondContact O-N 2.83Å; W323-T327 PolarHBondContact O-OG1 2.99Å; W323-V791 HydrophobicContact CD2-CG2 4.47Å; W323-V791 HydrophobicContact CH2-CB 3.69Å; W323-V791 HydrophobicContact CH2-CG1 3.57Å; W323-V791 HydrophobicContact CH2-CG2 3.52Å; W323-V791 HydrophobicContact CZ2-CB 3.57Å; W323-V791 HydrophobicContact CZ2-CG1 3.3Å; W323-V791 HydrophobicContact CZ2-CG2 3.06Å; W323-V791 HydrophobicContact CZ3-CG2 4.32Å
324	R	28.3	Very low	31	Very low	168 Å²	168	83.6 Å²	83.6	63%	0.634	43%	0.43	S	S	*	.	H	α-helix	trans	-65.3	-32.3	173.1	-118.1	179.7	71.9	145.9	1.2	113.3	K320 E321 T327 N328	K320-R324 PolarHBondContact O-N 3.12Å; E321-R324 PolarHBondContact O-N 2.94Å; R324-T327 VanDerWaalsContact CA-OG1 3.26Å; R324-T327 WeakPolarHBondContact CA-OG1 3.42Å; R324-T327 PolarHBondContact O-OG1 2.83Å; R324-N328 PolarHBondContact O-N 3.39Å; R324-N328 PolarHBondContact O-OD1 3.24Å
325	N	28.4	Very low	31.2	Very low	88 Å²	88	84.1 Å²	84.1	47%	0.471	42%	0.421	S	S	.	.	H	α-helix	trans	-81.5	-25.6	179.4	-72.4	2.6	0	0	0	113.1	E321 Q322 W323	E321-N325 PolarHBondContact O-N 2.83Å; Q322-N325 PolarHBondContact O-N 3.48Å; W323-N325 VanDerWaalsContact C-N 3.31Å; W323-N325 PolarHBondContact O-N 3.1Å
326	S	29.9	Very low	31.4	Very low	21 Å²	21	81.8 Å²	81.8	15%	0.147	40%	0.396	C	S	.	.	H	α-helix	trans	-79.3	-24.2	167.3	62.5	0	0	0	0	112.9	Q322 W323	Q322-S326 PolarHBondContact O-N 3.42Å; W323-S326 PolarHBondContact O-N 3.24Å; W323-S326 PolarHBondContact O-OG 2.81Å
327	T	32.5	Very low	31.6	Very low	11 Å²	11	74.4 Å²	74.4	7%	0.067	37%	0.374	C	S	.	.	H	α-helix	trans	-70.6	-41	175	8	0	0	0	0	113.9	W323 R324 M329 L330 V791 V793	W323-T327 HydrophobicContact CH2-CG2 3.6Å; W323-T327 HydrophobicContact CZ2-CG2 3.25Å; W323-T327 PolarHBondContact O-N 2.83Å; W323-T327 PolarHBondContact O-OG1 2.99Å; R324-T327 VanDerWaalsContact CA-OG1 3.26Å; R324-T327 WeakPolarHBondContact CA-OG1 3.42Å; R324-T327 PolarHBondContact O-OG1 2.83Å; T327-M329 PolarHBondContact O-N 3.36Å; T327-L330 HydrophobicContact CG2-CD1 3.61Å; T327-L330 HydrophobicContact CG2-CG 4.39Å; T327-L330 VanDerWaalsContact O-CB 3.29Å; T327-L330 WeakPolarHBondContact O-CB 3.25Å; T327-L330 WeakPolarHBondContact O-CG 3.24Å; T327-L330 PolarHBondContact O-N 3.35Å; T327-V791 HydrophobicContact CG2-CG1 4.46Å; T327-V793 HydrophobicContact CG2-CB 4.37Å; T327-V793 HydrophobicContact CG2-CG2 3.88Å
328	N	30.7	Very low	31.6	Very low	107 Å²	107	74.1 Å²	74.1	57%	0.572	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-10.9	179.8	-71.2	6.3	0	0	0	114	R324	R324-N328 PolarHBondContact O-N 3.39Å; R324-N328 PolarHBondContact O-OD1 3.24Å
329	M	31.3	Very low	31.7	Very low	66 Å²	66	78.6 Å²	78.6	33%	0.325	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	11.3	174.7	-131.7	-176	-44.4	0	0	113.3	T327 H755 P758	T327-M329 PolarHBondContact O-N 3.36Å; M329-H755 HydrophobicContact SD-CB 4.33Å; M329-P758 HydrophobicContact CE-CB 3.55Å; M329-P758 HydrophobicContact CE-CG 3.5Å; M329-P758 VanDerWaalsContact CE-CG 3.5Å; M329-P758 HydrophobicContact SD-CB 3.34Å; M329-P758 WeakPolarHBondContact SD-CB 3.37Å; M329-P758 HydrophobicContact SD-CG 3.49Å; M329-P758 WeakPolarHBondContact SD-CG 3.4Å
330	L	32.8	Very low	32	Very low	22 Å²	22	74.5 Å²	74.5	12%	0.115	37%	0.37	C	S	.	.	H	α-helix	trans	-68.9	-31.3	157.6	-57.5	-176.5	0	0	0	109	T327 S332 I333 Y334 V793	T327-L330 HydrophobicContact CG2-CD1 3.61Å; T327-L330 HydrophobicContact CG2-CG 4.39Å; T327-L330 VanDerWaalsContact O-CB 3.29Å; T327-L330 WeakPolarHBondContact O-CB 3.25Å; T327-L330 WeakPolarHBondContact O-CG 3.24Å; T327-L330 PolarHBondContact O-N 3.35Å; L330-S332 VanDerWaalsContact C-N 3.28Å; L330-S332 PolarHBondContact O-N 2.98Å; L330-I333 PolarHBondContact O-N 2.88Å; L330-I333 VanDerWaalsContact O-N 3.09Å; L330-Y334 HydrophobicContact CB-CD2 3.47Å; L330-Y334 VanDerWaalsContact CB-CD2 3.47Å; L330-Y334 HydrophobicContact CB-CE2 3.56Å; L330-Y334 HydrophobicContact CB-CG 4.16Å; L330-Y334 HydrophobicContact CD1-CE2 4.09Å; L330-Y334 HydrophobicContact CD2-CD2 4.28Å; L330-Y334 HydrophobicContact CD2-CE2 3.54Å; L330-Y334 HydrophobicContact CG-CD2 4.29Å; L330-Y334 HydrophobicContact CG-CE2 3.86Å; L330-Y334 VanDerWaalsContact O-CB 3.29Å; L330-Y334 WeakPolarHBondContact O-CB 3.25Å; L330-Y334 WeakPolarHBondContact O-CD2 3.37Å; L330-Y334 PolarHBondContact O-N 3.03Å; L330-V793 HydrophobicContact CD1-CG1 4.14Å
331	D	34.5	Very low	32.2	Very low	98 Å²	98	69 Å²	69	52%	0.524	35%	0.346	S	S	.	.	H	α-helix	trans	-46.6	-39.1	-178.9	-71	3.8	0	0	0	114.9	L335	D331-L335 HydrophobicContact CB-CD1 4.24Å; D331-L335 WeakPolarHBondContact O-CA 3.14Å; D331-L335 WeakPolarHBondContact O-CB 3.36Å; D331-L335 WeakPolarHBondContact O-CD1 3.46Å; D331-L335 PolarHBondContact O-N 3.38Å
332	S	30.5	Very low	32.4	Very low	43 Å²	43	64 Å²	64	30%	0.301	33%	0.325	S	S	.	.	H	α-helix	trans	-76.5	-43.1	178.7	62.4	0	0	0	0	114	L330 D336	L330-S332 VanDerWaalsContact C-N 3.28Å; L330-S332 PolarHBondContact O-N 2.98Å; S332-D336 WeakPolarHBondContact O-CB 3.5Å; S332-D336 PolarHBondContact O-N 3.24Å
333	I	33.4	Very low	32.7	Very low	27 Å²	27	60.3 Å²	60.3	14%	0.138	32%	0.315	C	S	.	.	H	α-helix	trans	-68.4	-41.4	178.1	-55	170.3	0	0	0	109.7	L330 D336 V337 Y759 N762	L330-I333 PolarHBondContact O-N 2.88Å; L330-I333 VanDerWaalsContact O-N 3.09Å; I333-D336 PolarHBondContact O-N 3.36Å; I333-V337 WeakPolarHBondContact O-CG2 3.47Å; I333-V337 PolarHBondContact O-N 3.3Å; I333-Y759 HydrophobicContact CD1-CD2 3.54Å; I333-Y759 HydrophobicContact CD1-CE2 3.98Å; I333-Y759 HydrophobicContact CG1-CD2 3.8Å; I333-Y759 HydrophobicContact CG1-CE2 4.09Å; I333-N762 HydrophobicContact CD1-CB 3.84Å
334	Y	39	Very low	33	Very low	38 Å²	38	57.4 Å²	57.4	15%	0.149	31%	0.305	C	S	.	.	H	α-helix	trans	-86.3	-25.2	-176	-69.4	-111	0	0	0	112.3	L330 A338 V794 P796	L330-Y334 HydrophobicContact CB-CD2 3.47Å; L330-Y334 VanDerWaalsContact CB-CD2 3.47Å; L330-Y334 HydrophobicContact CB-CE2 3.56Å; L330-Y334 HydrophobicContact CB-CG 4.16Å; L330-Y334 HydrophobicContact CD1-CE2 4.09Å; L330-Y334 HydrophobicContact CD2-CD2 4.28Å; L330-Y334 HydrophobicContact CD2-CE2 3.54Å; L330-Y334 HydrophobicContact CG-CD2 4.29Å; L330-Y334 HydrophobicContact CG-CE2 3.86Å; L330-Y334 VanDerWaalsContact O-CB 3.29Å; L330-Y334 WeakPolarHBondContact O-CB 3.25Å; L330-Y334 WeakPolarHBondContact O-CD2 3.37Å; L330-Y334 PolarHBondContact O-N 3.03Å; Y334-A338 WeakPolarHBondContact O-CA 3.08Å; Y334-A338 WeakPolarHBondContact O-CB 3.4Å; Y334-A338 PolarHBondContact O-N 2.82Å; Y334-V794 HydrophobicContact CD1-CG1 3.72Å; Y334-V794 HydrophobicContact CE1-CG1 4.03Å; Y334-V794 WeakPolarHBondContact CE1-O 3.35Å; Y334-P796 WeakPolarHBondContact OH-CD 3.43Å; Y334-P796 VanDerWaalsContact OH-CG 3.22Å; Y334-P796 WeakPolarHBondContact OH-CG 3.2Å
335	L	33.4	Very low	33.4	Very low	92 Å²	92	53.7 Å²	53.7	48%	0.482	30%	0.298	S	S	.	.	H	α-helix	trans	-68.8	-37.4	160.4	-93	72	0	0	0	110.4	D331 V337 A338 K339	D331-L335 HydrophobicContact CB-CD1 4.24Å; D331-L335 WeakPolarHBondContact O-CA 3.14Å; D331-L335 WeakPolarHBondContact O-CB 3.36Å; D331-L335 WeakPolarHBondContact O-CD1 3.46Å; D331-L335 PolarHBondContact O-N 3.38Å; L335-V337 VanDerWaalsContact C-N 3.31Å; L335-V337 PolarHBondContact O-N 2.63Å; L335-A338 PolarHBondContact O-N 3.06Å; L335-K339 WeakPolarHBondContact O-CA 3.42Å; L335-K339 WeakPolarHBondContact O-CB 3.19Å; L335-K339 VanDerWaalsContact O-CD 3.3Å; L335-K339 WeakPolarHBondContact O-CD 3.47Å; L335-K339 WeakPolarHBondContact O-CG 3.37Å; L335-K339 PolarHBondContact O-N 3.45Å
336	D	33.4	Very low	33.9	Very low	40 Å²	40	50.5 Å²	50.5	21%	0.214	28%	0.284	C	S	.	.	H	α-helix	trans	-70.1	-29.3	179.2	-88.4	1.2	0	0	0	113.6	S332 I333 K339 T340 K640 R754	S332-D336 WeakPolarHBondContact O-CB 3.5Å; S332-D336 PolarHBondContact O-N 3.24Å; I333-D336 PolarHBondContact O-N 3.36Å; D336-K339 IonicContact OD1-NZ 3.2Å; D336-K339 PolarHBondContact OD1-NZ 2.73Å; D336-K339 VanDerWaalsContact OD1-NZ 3.12Å; D336-T340 PolarHBondContact O-OG1 3.3Å; D336-K640 PolarHBondContact O-NZ 3.14Å; D336-R754 IonicContact OD2-CZ 2.72Å; D336-R754 IonicContact OD2-NE 3.48Å; D336-R754 IonicContact OD2-NH2 2.87Å; D336-R754 PolarHBondContact OD2-NH2 2.87Å
337	V	34.5	Very low	34.4	Very low	50 Å²	50	50.4 Å²	50.4	30%	0.303	28%	0.282	S	S	.	.	H	α-helix	trans	-79.7	-43.5	169.8	172.8	0	0	0	0	111	I333 L335 K339 T340 I341	I333-V337 WeakPolarHBondContact O-CG2 3.47Å; I333-V337 PolarHBondContact O-N 3.3Å; L335-V337 VanDerWaalsContact C-N 3.31Å; L335-V337 PolarHBondContact O-N 2.63Å; V337-K339 VanDerWaalsContact C-N 3.28Å; V337-K339 PolarHBondContact O-N 3.32Å; V337-T340 WeakPolarHBondContact CA-OG1 3.49Å; V337-T340 CarbonylContact O-C 3.54Å; V337-T340 WeakPolarHBondContact O-CA 3.31Å; V337-T340 PolarHBondContact O-N 3.3Å; V337-T340 PolarHBondContact O-OG1 2.85Å; V337-I341 HydrophobicContact CG1-CD1 3.64Å; V337-I341 HydrophobicContact CG1-CG1 4.21Å; V337-I341 VanDerWaalsContact O-CG1 3.3Å; V337-I341 WeakPolarHBondContact O-CG1 3.34Å; V337-I341 PolarHBondContact O-N 3.14Å
338	A	31.5	Very low	34.6	Very low	60 Å²	60	52.6 Å²	52.6	50%	0.496	30%	0.297	S	S	.	.	H	α-helix	trans	-71.3	-16.6	175.9	0	0	0	0	0	114.1	Y334 L335 T340	Y334-A338 WeakPolarHBondContact O-CA 3.08Å; Y334-A338 WeakPolarHBondContact O-CB 3.4Å; Y334-A338 PolarHBondContact O-N 2.82Å; L335-A338 PolarHBondContact O-N 3.06Å; A338-T340 VanDerWaalsContact C-N 3.34Å
339	K	33.6	Very low	35	Very low	141 Å²	141	52.7 Å²	52.7	61%	0.613	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.1	165	-74.2	163.6	-165.8	161.7	0	112.1	L335 D336 V337	L335-K339 WeakPolarHBondContact O-CA 3.42Å; L335-K339 WeakPolarHBondContact O-CB 3.19Å; L335-K339 VanDerWaalsContact O-CD 3.3Å; L335-K339 WeakPolarHBondContact O-CD 3.47Å; L335-K339 WeakPolarHBondContact O-CG 3.37Å; L335-K339 PolarHBondContact O-N 3.45Å; D336-K339 IonicContact OD1-NZ 3.2Å; D336-K339 PolarHBondContact OD1-NZ 2.73Å; D336-K339 VanDerWaalsContact OD1-NZ 3.12Å; V337-K339 VanDerWaalsContact C-N 3.28Å; V337-K339 PolarHBondContact O-N 3.32Å
340	T	32.8	Very low	35.1	Very low	16 Å²	16	53.3 Å²	53.3	10%	0.098	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-14.9	170.3	44.8	0	0	0	0	113.6	D336 V337 A338 P342 K640	D336-T340 PolarHBondContact O-OG1 3.3Å; V337-T340 WeakPolarHBondContact CA-OG1 3.49Å; V337-T340 CarbonylContact O-C 3.54Å; V337-T340 WeakPolarHBondContact O-CA 3.31Å; V337-T340 PolarHBondContact O-N 3.3Å; V337-T340 PolarHBondContact O-OG1 2.85Å; A338-T340 VanDerWaalsContact C-N 3.34Å; T340-P342 WeakPolarHBondContact O-CD 3.23Å; T340-K640 HydrophobicContact CG2-CB 4.36Å; T340-K640 HydrophobicContact CG2-CD 3.23Å; T340-K640 HydrophobicContact CG2-CG 4.42Å
341	I	33.8	Very low	35.2	Very low	16 Å²	16	57.8 Å²	57.8	8%	0.082	33%	0.33	C	S	.	.	S	Bend	trans	-97.6	98.7	173.6	-61	175.8	0	0	0	107.2	V337 S343 Y633	V337-I341 HydrophobicContact CG1-CD1 3.64Å; V337-I341 HydrophobicContact CG1-CG1 4.21Å; V337-I341 VanDerWaalsContact O-CG1 3.3Å; V337-I341 WeakPolarHBondContact O-CG1 3.34Å; V337-I341 PolarHBondContact O-N 3.14Å; I341-S343 PolarHBondContact O-N 3.5Å; I341-Y633 HydrophobicContact CG1-CD2 4.3Å; I341-Y633 HydrophobicContact CG1-CE2 4.41Å
342	P	32.5	Very low	35.2	Very low	22 Å²	22	57 Å²	57	14%	0.143	33%	0.325	C	S	.	.			trans	-55.6	142	172.9	19.7	-29.2	0	0	0	110.4	T340 A346 M347 V632	T340-P342 WeakPolarHBondContact O-CD 3.23Å; P342-A346 HydrophobicContact CB-CB 4.09Å; P342-M347 HydrophobicContact CB-CG 4.08Å; P342-M347 HydrophobicContact CG-CG 3.84Å; P342-M347 HydrophobicContact CG-SD 4.35Å; P342-M347 WeakPolarHBondContact O-CE 3.48Å; P342-V632 HydrophobicContact CB-CG2 4.43Å; P342-V632 HydrophobicContact CG-CB 4.22Å; P342-V632 HydrophobicContact CG-CG2 3.33Å
343	S	37.4	Very low	35.6	Very low	64 Å²	64	58 Å²	58	45%	0.448	32%	0.323	S	S	.	.			trans	-62.6	160.9	-177.5	69.6	0	0	0	0	112.5	I341 D345 A346 M347	I341-S343 PolarHBondContact O-N 3.5Å; S343-D345 VanDerWaalsContact C-N 3.25Å; S343-D345 PolarHBondContact O-N 3.42Å; S343-A346 CarbonylContact O-C 3.59Å; S343-A346 WeakPolarHBondContact O-CA 3.48Å; S343-A346 WeakPolarHBondContact O-CB 3.36Å; S343-A346 PolarHBondContact O-N 3.4Å; S343-A346 VanDerWaalsContact OG-CB 3.31Å; S343-A346 WeakPolarHBondContact OG-CB 3.09Å; S343-A346 PolarHBondContact OG-N 2.94Å; S343-M347 PolarHBondContact O-N 3.36Å
344	V	39.3	Very low	35.5	Very low	15 Å²	15	63.9 Å²	63.9	9%	0.091	35%	0.347	C	S	.	.	H	α-helix	trans	-54.5	-42.7	177.9	-172	0	0	0	0	112	M347 S348 L834 S835	V344-M347 HydrophobicContact CG2-CE 4.46Å; V344-M347 PolarHBondContact O-N 2.9Å; V344-S348 WeakPolarHBondContact O-CB 3.33Å; V344-S348 PolarHBondContact O-N 2.96Å; V344-S348 PolarHBondContact O-OG 3.42Å; V344-L834 HydrophobicContact CB-CD2 4.33Å; V344-L834 HydrophobicContact CG1-CD2 3.8Å; V344-L834 HydrophobicContact CG2-CD2 3.58Å; V344-S835 WeakPolarHBondContact CG2-OG 3.47Å
345	D	36.7	Very low	35	Very low	91 Å²	91	68.6 Å²	68.6	49%	0.487	37%	0.373	S	S	.	.	H	α-helix	trans	-64.2	-43.5	175.9	-66.1	-43.7	0	0	0	110.5	S343 S348 T349 R863	S343-D345 VanDerWaalsContact C-N 3.25Å; S343-D345 PolarHBondContact O-N 3.42Å; D345-S348 WeakPolarHBondContact CA-OG 3.4Å; D345-S348 CarbonylContact O-C 3.56Å; D345-S348 PolarHBondContact O-N 2.87Å; D345-S348 VanDerWaalsContact O-N 3.15Å; D345-S348 PolarHBondContact O-OG 3.22Å; D345-T349 WeakPolarHBondContact O-CB 3.22Å; D345-T349 WeakPolarHBondContact O-CG2 3.38Å; D345-T349 PolarHBondContact O-N 2.87Å; D345-T349 PolarHBondContact O-OG1 2.93Å; D345-R863 IonicContact OD1-CZ 3.86Å; D345-R863 IonicContact OD1-NH1 3.84Å; D345-R863 PolarHBondContact OD1-NH1 3.27Å
346	A	38.6	Very low	34.8	Very low	20 Å²	20	69.3 Å²	69.3	17%	0.165	38%	0.383	C	S	.	.	H	α-helix	trans	-61.3	-44.2	174.6	0	0	0	0	0	112.6	P342 S343 S348 T349 L350	P342-A346 HydrophobicContact CB-CB 4.09Å; S343-A346 CarbonylContact O-C 3.59Å; S343-A346 WeakPolarHBondContact O-CA 3.48Å; S343-A346 WeakPolarHBondContact O-CB 3.36Å; S343-A346 PolarHBondContact O-N 3.4Å; S343-A346 VanDerWaalsContact OG-CB 3.31Å; S343-A346 WeakPolarHBondContact OG-CB 3.09Å; S343-A346 PolarHBondContact OG-N 2.94Å; A346-S348 PolarHBondContact O-N 3.42Å; A346-T349 PolarHBondContact O-N 3.5Å; A346-L350 HydrophobicContact CB-CD1 3.68Å; A346-L350 HydrophobicContact CB-CG 4.16Å; A346-L350 WeakPolarHBondContact O-CB 3.45Å; A346-L350 WeakPolarHBondContact O-CG 3.42Å; A346-L350 PolarHBondContact O-N 2.94Å
347	M	41	Very low	34.5	Very low	20 Å²	20	77.5 Å²	77.5	10%	0.099	42%	0.417	C	S	.	.	H	α-helix	trans	-66.5	-22.9	175.2	-70.3	-177.4	-68.1	0	0	113.3	P342 S343 V344 V632 L838 Q867	P342-M347 HydrophobicContact CB-CG 4.08Å; P342-M347 HydrophobicContact CG-CG 3.84Å; P342-M347 HydrophobicContact CG-SD 4.35Å; P342-M347 WeakPolarHBondContact O-CE 3.48Å; S343-M347 PolarHBondContact O-N 3.36Å; V344-M347 HydrophobicContact CG2-CE 4.46Å; V344-M347 PolarHBondContact O-N 2.9Å; M347-V632 HydrophobicContact CG-CG2 3.83Å; M347-V632 HydrophobicContact SD-CG2 4.45Å; M347-L838 HydrophobicContact CE-CD1 3.51Å; M347-L838 HydrophobicContact SD-CB 4.24Å; M347-L838 HydrophobicContact SD-CD1 3.77Å; M347-Q867 PolarHBondContact O-NE2 3.2Å
348	S	37.1	Very low	34.2	Very low	57 Å²	57	84 Å²	84	40%	0.399	44%	0.444	S	S	.	.	H	α-helix	trans	-90.7	-17.9	175.2	73.4	0	0	0	0	114.4	V344 D345 A346	V344-S348 WeakPolarHBondContact O-CB 3.33Å; V344-S348 PolarHBondContact O-N 2.96Å; V344-S348 PolarHBondContact O-OG 3.42Å; D345-S348 WeakPolarHBondContact CA-OG 3.4Å; D345-S348 CarbonylContact O-C 3.56Å; D345-S348 PolarHBondContact O-N 2.87Å; D345-S348 VanDerWaalsContact O-N 3.15Å; D345-S348 PolarHBondContact O-OG 3.22Å; A346-S348 PolarHBondContact O-N 3.42Å
349	T	38.4	Very low	34.1	Very low	108 Å²	108	88.9 Å²	88.9	66%	0.663	46%	0.461	S	S	*	.	H	α-helix	trans	-122.8	-13.2	-172.3	58.9	0	0	0	0	115.3	D345 A346 D351	D345-T349 WeakPolarHBondContact O-CB 3.22Å; D345-T349 WeakPolarHBondContact O-CG2 3.38Å; D345-T349 PolarHBondContact O-N 2.87Å; D345-T349 PolarHBondContact O-OG1 2.93Å; A346-T349 PolarHBondContact O-N 3.5Å; T349-D351 PolarHBondContact O-N 3.42Å
350	L	32.4	Very low	33.7	Very low	79 Å²	79	89.9 Å²	89.9	41%	0.414	47%	0.473	S	S	.	.			trans	-90.4	100.1	178.7	-66	175.3	0	0	0	111.7	A346 L352	A346-L350 HydrophobicContact CB-CD1 3.68Å; A346-L350 HydrophobicContact CB-CG 4.16Å; A346-L350 WeakPolarHBondContact O-CB 3.45Å; A346-L350 WeakPolarHBondContact O-CG 3.42Å; A346-L350 PolarHBondContact O-N 2.94Å; L350-L352 VanDerWaalsContact C-N 3.28Å; L350-L352 HydrophobicContact CB-CG 4.06Å; L350-L352 HydrophobicContact CD1-CD2 3.93Å; L350-L352 HydrophobicContact CD1-CG 4.06Å; L350-L352 PolarHBondContact O-N 3.31Å
351	D	34.6	Very low	33.4	Very low	116 Å²	116	95 Å²	95	62%	0.62	51%	0.505	S	S	*	.			trans	-68.7	99.1	131.8	-78.4	-31.7	0	0	0	106.8	T349 R353 K866	T349-D351 PolarHBondContact O-N 3.42Å; D351-R353 PolarHBondContact O-N 2.88Å; D351-K866 IonicContact OD1-NZ 3.94Å
352	L	35.7	Very low	33.1	Very low	81 Å²	81	97.4 Å²	97.4	42%	0.424	53%	0.533	S	S	.	.			trans	-64.5	-3.6	176.8	-93.5	174.8	0	0	0	113.3	L350 V632	L350-L352 VanDerWaalsContact C-N 3.28Å; L350-L352 HydrophobicContact CB-CG 4.06Å; L350-L352 HydrophobicContact CD1-CD2 3.93Å; L350-L352 HydrophobicContact CD1-CG 4.06Å; L350-L352 PolarHBondContact O-N 3.31Å; L352-V632 HydrophobicContact CD1-CB 4.37Å; L352-V632 HydrophobicContact CD1-CG1 4.03Å
353	R	38.2	Very low	32.9	Very low	66 Å²	66	103.3 Å²	103.3	25%	0.249	57%	0.569	C	S	.	*	S	Bend	trans	-113.7	127.7	179.9	-53.8	-161.7	-149.3	118.1	13.8	109.9	D351 I355 Y455 E626 T627	D351-R353 PolarHBondContact O-N 2.88Å; R353-I355 PolarHBondContact O-N 3.12Å; R353-I355 VanDerWaalsContact O-N 3.16Å; R353-Y455 PolarHBondContact NE-OH 2.94Å; R353-E626 PolarHBondContact NH2-O 3.3Å; R353-T627 VanDerWaalsContact CZ-O 3.23Å; R353-T627 PolarHBondContact NH1-O 3.22Å; R353-T627 PolarHBondContact NH2-O 3.05Å
354	K	31.2	Very low	32.3	Very low	149 Å²	149	107.8 Å²	107.8	65%	0.648	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-55.1	120.2	-179.5	-70.4	164.2	-173.4	148.8	0	110.1	D456	K354-D456 VanDerWaalsContact NZ-CG 3.29Å; K354-D456 IonicContact NZ-OD1 3.65Å; K354-D456 PolarHBondContact NZ-OD1 3.42Å; K354-D456 IonicContact NZ-OD2 2.68Å; K354-D456 PolarHBondContact NZ-OD2 2.76Å
355	I	29.5	Very low	31.8	Very low	138 Å²	138	113.2 Å²	113.2	71%	0.708	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-50.8	127	159.7	-59.4	168.6	0	0	0	107.2	R353 K357	R353-I355 PolarHBondContact O-N 3.12Å; R353-I355 VanDerWaalsContact O-N 3.16Å; I355-K357 PolarHBondContact O-N 3.32Å
356	P	28.2	Very low	31.2	Very low	106 Å²	106	113 Å²	113	69%	0.688	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-54.9	133.6	175	-25	34.3	0	0	0	109.9	E358	P356-E358 VanDerWaalsContact C-N 3.33Å; P356-E358 PolarHBondContact O-N 3.04Å
357	K	28.6	Very low	31.2	Very low	213 Å²	213	118.1 Å²	118.1	93%	0.926	67%	0.665	S	S	*	*			trans	-63.9	94.3	175.5	-72.8	-178.3	177.9	178.1	0	109.3	I355 L359	I355-K357 PolarHBondContact O-N 3.32Å; K357-L359 PolarHBondContact O-N 3.05Å
358	E	27.8	Very low	30.3	Very low	186 Å²	186	123 Å²	123	87%	0.869	70%	0.701	S	S	*	*			trans	-63.3	128.3	170.7	-72	-138.3	141	0	0	109.9	P356 N360	P356-E358 VanDerWaalsContact C-N 3.33Å; P356-E358 PolarHBondContact O-N 3.04Å; E358-N360 PolarHBondContact O-N 3.28Å
359	L	28.6	Very low	29.7	Very low	162 Å²	162	125.6 Å²	125.6	85%	0.848	72%	0.719	S	S	*	*			trans	-77.7	108	177.9	-158.3	82.4	0	0	0	108.2	K357 T361	K357-L359 PolarHBondContact O-N 3.05Å; L359-T361 PolarHBondContact O-N 3.06Å
360	N	26.4	Very low	29.2	Very low	162 Å²	162	130.6 Å²	130.6	87%	0.866	73%	0.732	S	S	*	*			trans	-66.8	95.6	-178.7	-118.5	-27.4	0	0	0	111.8	E358	E358-N360 PolarHBondContact O-N 3.28Å
361	T	26.7	Very low	28.7	Very low	125 Å²	125	135.5 Å²	135.5	77%	0.767	75%	0.75	S	S	*	*			trans	-147.2	101.2	154.6	53.6	0	0	0	0	112.9	L359	L359-T361 PolarHBondContact O-N 3.06Å
362	G	26.8	Very low	28.2	Very low	66 Å²	66	141.3 Å²	141.3	68%	0.68	76%	0.763	S	S	*	*			trans	98.1	106	131.4	0	0	0	0	0	120.3
363	T	27.8	Very low	27.5	Very low	146 Å²	146	144 Å²	144	90%	0.896	77%	0.774	S	S	*	*			trans	75.6	114.3	140	-1.6	0	0	0	0	120.1
364	L	25.8	Very low	26.8	Very low	157 Å²	157	150.4 Å²	150.4	82%	0.822	80%	0.799	S	S	*	*			trans	-65.1	151.1	156.9	-72.5	166.7	0	0	0	110.7
365	P	27.8	Very low	26.4	Very low	129 Å²	129	147.2 Å²	147.2	84%	0.838	80%	0.795	S	S	*	*				-139.8	164.7	82.3	34.9	-17.9	0	0	0	116
366	A	24.4	Very low	26.2	Very low	86 Å²	86	149.2 Å²	149.2	71%	0.711	80%	0.799	S	S	*	*			trans	-92.8	-171.5	176.3	0	0	0	0	0	112
367	P	37.9	Very low	26	Very low	128 Å²	128	150 Å²	150	83%	0.831	80%	0.797	S	S	*	*				-122.6	164.1	-59.8	34.5	-22.3	0	0	0	111.8
368	S	23.5	Very low	25.8	Very low	123 Å²	123	149.9 Å²	149.9	86%	0.86	80%	0.797	S	S	*	*			trans	-144.7	135.2	166.6	69.3	0	0	0	0	114.1
369	S	24.5	Very low	25.6	Very low	111 Å²	111	145.7 Å²	145.7	78%	0.776	78%	0.784	S	S	*	*			trans	-74.1	154.5	-177.3	49.7	0	0	0	0	114.6
370	K	26	Very low	25.3	Very low	214 Å²	214	142.7 Å²	142.7	93%	0.93	78%	0.777	S	S	*	*			trans	-164.9	132.8	136.6	-107.5	155.6	-168.7	174.9	0	113.7
371	K	23.2	Very low	25.2	Very low	182 Å²	182	145 Å²	145	79%	0.791	78%	0.78	S	S	*	*			trans	-80	149.8	169.3	-71.1	177.5	166.9	-171.6	0	111.7
372	R	23.9	Very low	25	Very low	238 Å²	238	143 Å²	143	90%	0.898	78%	0.776	S	S	*	*			trans	-177.4	112.2	137.5	-102.5	172.1	179.4	179.9	-1.2	106
373	E	21.6	Very low	24.9	Very low	137 Å²	137	148 Å²	148	64%	0.64	79%	0.787	S	S	*	*			cis	78.5	138	39.3	-154.6	174.6	-121.6	0	0	113.9
374	Y	23.4	Very low	24.7	Very low	200 Å²	200	146.4 Å²	146.4	78%	0.784	78%	0.782	S	S	*	*			trans	79.8	140.3	-177.1	-62.5	-91.7	0	0	0	118.1
375	S	22.5	Very low	24.8	Very low	82 Å²	82	144.9 Å²	144.9	57%	0.573	78%	0.781	S	S	*	*			cis	174.9	152.9	-36.6	54.2	0	0	0	0	108.8
376	K	25.1	Very low	24.6	Very low	180 Å²	180	147.6 Å²	147.6	78%	0.783	79%	0.785	S	S	*	*			trans	44.4	141.6	136.4	-65.1	-179.6	178.3	178	0	119
377	N	24	Very low	24.6	Very low	122 Å²	122	148.4 Å²	148.4	65%	0.652	79%	0.792	S	S	*	*			cis	-172.7	160	5.9	-96	-12.4	0	0	0	104.9
378	F	23.4	Very low	23.8	Very low	212 Å²	212	148 Å²	148	93%	0.93	79%	0.792	S	S	*	*				-156.4	148.5	129.6	-118.7	-76.7	0	0	0	111.2
379	T	23.6	Very low	23.7	Very low	97 Å²	97	147 Å²	147	60%	0.595	79%	0.785	S	S	*	*			trans	-111.2	139.9	-160.6	46.2	0	0	0	0	113.5
380	S	22.8	Very low	23.6	Very low	99 Å²	99	147.5 Å²	147.5	69%	0.692	78%	0.783	S	S	*	*			trans	13.7	133.9	144.5	62.2	0	0	0	0	120.3
381	F	24	Very low	23.5	Very low	212 Å²	212	144 Å²	144	93%	0.93	78%	0.775	S	S	*	*			trans	-132.9	138.9	134.7	-92.6	-81.2	0	0	0	110.2
382	A	23.1	Very low	23.6	Very low	82 Å²	82	144 Å²	144	68%	0.678	78%	0.779	S	S	*	*			trans	-111.5	156.3	176.8	0	0	0	0	0	110.2
383	N	24.4	Very low	23.5	Very low	171 Å²	171	135.7 Å²	135.7	91%	0.914	77%	0.768	S	S	*	*			trans	-163.6	127.3	147.7	-95.5	-28.1	0	0	0	111.3
384	S	22.8	Very low	23.6	Very low	113 Å²	113	138.8 Å²	138.8	79%	0.79	78%	0.779	S	S	*	*			trans	-83	-179	173.5	-58.3	0	0	0	0	110.1
385	P	28.5	Very low	23.7	Very low	125 Å²	125	140.4 Å²	140.4	81%	0.812	78%	0.784	S	S	*	*			cis	-148	-175	22.6	43.3	-20.6	0	0	0	119.4
386	M	23.7	Very low	23.8	Very low	185 Å²	185	141.9 Å²	141.9	91%	0.911	79%	0.794	S	S	*	*			trans	-61.1	156.3	172.6	-69.9	174.1	145.3	0	0	115.4
387	A	24	Very low	23.8	Very low	103 Å²	103	143.2 Å²	143.2	85%	0.851	80%	0.803	S	S	*	*			trans	-154	142.6	139	0	0	0	0	0	111.8
388	S	21.2	Very low	23.8	Very low	120 Å²	120	142.8 Å²	142.8	84%	0.839	81%	0.81	S	S	*	*			trans	-104.6	163.1	175.6	-65.1	0	0	0	0	112
389	S	22	Very low	23.8	Very low	103 Å²	103	140.7 Å²	140.7	72%	0.72	81%	0.807	S	S	*	*			trans	132.3	101.2	138.9	-177.6	0	0	0	0	118.4
390	T	22.5	Very low	23.8	Very low	120 Å²	120	140 Å²	140	74%	0.736	81%	0.811	S	S	*	*				55	141.2	120.4	-4.8	0	0	0	0	125.5
391	L	23.6	Very low	23.9	Very low	142 Å²	142	143.4 Å²	143.4	74%	0.743	82%	0.817	S	S	*	*			trans	99.9	117.6	144.8	-72.1	163.3	0	0	0	122.4
392	M	24.4	Very low	23.9	Very low	181 Å²	181	141.5 Å²	141.5	89%	0.892	82%	0.815	S	S	*	*			trans	52.7	142.9	138.4	-60.2	-81.2	-177.3	0	0	120.4
393	G	22.5	Very low	23.8	Very low	64 Å²	64	140.9 Å²	140.9	66%	0.66	82%	0.817	S	S	*	*			cis	145.4	142	2.9	0	0	0	0	0	111.6
394	K	25	Very low	23.9	Very low	201 Å²	201	137.4 Å²	137.4	87%	0.874	81%	0.812	S	S	*	*			trans	-167.8	106.2	167.3	-102	158.9	-169	178.8	0	108.9
395	R	24.7	Very low	24.1	Very low	234 Å²	234	139.2 Å²	139.2	88%	0.883	82%	0.818	S	S	*	*				55.4	108.8	103.5	-73.1	-172.3	176.5	-173.7	-0.6	114.5
396	S	24	Very low	24.1	Very low	114 Å²	114	139.9 Å²	139.9	80%	0.797	82%	0.82	S	S	*	*				93.3	120.9	59.6	-71	0	0	0	0	113.5
397	Q	24.7	Very low	24.4	Very low	207 Å²	207	134.9 Å²	134.9	97%	0.967	82%	0.817	S	S	*	*			trans	-164.4	156.2	140.4	-111.8	177.2	29.9	0	0	111.4
398	S	24.1	Very low	24.5	Very low	114 Å²	114	134.2 Å²	134.2	80%	0.797	81%	0.806	S	S	*	*			trans	-150.3	150	-171.3	56.4	0	0	0	0	114.2
399	L	24.1	Very low	25	Very low	167 Å²	167	134.2 Å²	134.2	87%	0.874	80%	0.803	S	S	*	*			trans	75.6	143.3	147.9	-141.7	77	0	0	0	121.5
400	A	23.8	Very low	25.4	Very low	82 Å²	82	134.7 Å²	134.7	68%	0.678	80%	0.797	S	S	*	*			trans	78.5	143.6	158.2	0	0	0	0	0	116.7
401	Q	24.2	Very low	25.9	Very low	171 Å²	171	133.2 Å²	133.2	80%	0.799	79%	0.792	S	S	*	*			cis	-165.4	171	-5	-136.3	177.1	-5.3	0	0	110.8
402	L	23.6	Very low	26.4	Very low	172 Å²	172	131.4 Å²	131.4	90%	0.901	79%	0.787	S	S	*	*			trans	70.2	151.2	168.3	-55	162.9	0	0	0	116.4
403	G	22.5	Very low	26.8	Very low	70 Å²	70	132.5 Å²	132.5	72%	0.722	78%	0.781	S	S	*	*			cis	167.7	125.2	-6.8	0	0	0	0	0	112.5
404	A	26	Very low	27.1	Very low	98 Å²	98	136.3 Å²	136.3	81%	0.81	78%	0.782	S	S	*	*			trans	21.6	124.2	164.5	0	0	0	0	0	122.1
405	T	26	Very low	27.5	Very low	150 Å²	150	133.2 Å²	133.2	92%	0.92	77%	0.768	S	S	*	*			trans	-139.4	155.7	135.7	51.5	0	0	0	0	111.2
406	T	28.5	Very low	27.8	Very low	139 Å²	139	127.7 Å²	127.7	85%	0.853	76%	0.756	S	S	*	*			trans	-117.3	142.1	-169.3	49.7	0	0	0	0	112.9
407	G	31.4	Very low	28.1	Very low	81 Å²	81	132.1 Å²	132.1	84%	0.835	76%	0.756	S	S	*	*			trans	79.4	104.4	145.4	0	0	0	0	0	118.7
408	S	25.7	Very low	28.3	Very low	88 Å²	88	130.5 Å²	130.5	62%	0.615	75%	0.745	S	S	*	*			trans	-155.6	142.1	152.1	-177.9	0	0	0	0	111	D410	S408-D410 VanDerWaalsContact C-N 3.27Å; S408-D410 PolarHBondContact O-N 3.44Å
409	P	32.5	Very low	28.7	Very low	120 Å²	120	132.3 Å²	132.3	78%	0.779	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-5.1	-178.5	-18.6	33.2	0	0	0	116.6
410	D	30	Very low	29	Very low	113 Å²	113	133 Å²	133	60%	0.604	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-14.8	-170.9	-83.2	-51.7	0	0	0	115.7	S408 T412 R413	S408-D410 VanDerWaalsContact C-N 3.27Å; S408-D410 PolarHBondContact O-N 3.44Å; D410-T412 PolarHBondContact O-N 2.86Å; D410-R413 PolarHBondContact O-N 3Å; D410-R413 VanDerWaalsContact O-N 3.09Å
411	S	32.2	Very low	29.2	Very low	89 Å²	89	135.9 Å²	135.9	62%	0.622	74%	0.739	S	S	*	*	H	α-helix	trans	-62.1	-29.5	-176.6	-167.8	0	0	0	0	113.4	R413 E414 F415	S411-R413 PolarHBondContact O-N 3.14Å; S411-E414 PolarHBondContact O-N 2.96Å; S411-F415 PolarHBondContact O-N 3.39Å
412	T	35.3	Very low	29.2	Very low	104 Å²	104	131.5 Å²	131.5	64%	0.638	73%	0.728	S	S	*	*	H	α-helix	trans	-68.5	-20.9	179	-36.2	0	0	0	0	113.3	D410 N416	D410-T412 PolarHBondContact O-N 2.86Å; T412-N416 PolarHBondContact O-ND2 3.47Å
413	R	32.5	Very low	29.5	Very low	205 Å²	205	128.6 Å²	128.6	77%	0.774	72%	0.722	S	S	*	*	H	α-helix	trans	-89.8	-23.4	179.5	-129.2	175.4	-174.9	176.8	0.9	112.9	D410 S411	D410-R413 PolarHBondContact O-N 3Å; D410-R413 VanDerWaalsContact O-N 3.09Å; S411-R413 PolarHBondContact O-N 3.14Å
414	E	28.8	Very low	29.6	Very low	144 Å²	144	134.4 Å²	134.4	67%	0.673	73%	0.73	S	S	*	*	H	α-helix	trans	-83.8	-35	177.8	-156.9	162.2	-145.1	0	0	112	S411 N416 R417 K418	S411-E414 PolarHBondContact O-N 2.96Å; E414-N416 VanDerWaalsContact C-N 3.32Å; E414-N416 PolarHBondContact O-N 2.96Å; E414-R417 PolarHBondContact O-N 2.96Å; E414-R417 VanDerWaalsContact O-N 3.09Å; E414-K418 PolarHBondContact O-N 2.89Å; E414-K418 VanDerWaalsContact O-N 3.11Å
415	F	32.3	Very low	29.9	Very low	136 Å²	136	135.8 Å²	135.8	60%	0.596	73%	0.728	S	S	*	*	H	α-helix	trans	-56.7	-42.9	173.1	-166.6	-94.7	0	0	0	112.6	S411 R417 K418 F419	S411-F415 PolarHBondContact O-N 3.39Å; F415-R417 VanDerWaalsContact C-N 3.32Å; F415-R417 PolarHBondContact O-N 3.28Å; F415-K418 PolarHBondContact O-N 3.42Å; F415-F419 HydrophobicContact CD1-CD2 4.45Å; F415-F419 HydrophobicContact CE1-CD2 4.1Å; F415-F419 HydrophobicContact CE1-CE2 4.08Å; F415-F419 AromaticContact CE2-CE2 3.95Å; F415-F419 HydrophobicContact CE2-CE2 3.95Å; F415-F419 HydrophobicContact CZ-CD2 4.14Å; F415-F419 AromaticContact CZ-CE2 3.65Å; F415-F419 HydrophobicContact CZ-CE2 3.65Å
416	N	31.6	Very low	29.8	Very low	118 Å²	118	136 Å²	136	63%	0.631	72%	0.724	S	S	*	*	H	α-helix	trans	-75.2	-14.5	178.4	-74.2	-65.8	0	0	0	114.4	T412 E414	T412-N416 PolarHBondContact O-ND2 3.47Å; E414-N416 VanDerWaalsContact C-N 3.32Å; E414-N416 PolarHBondContact O-N 2.96Å
417	R	30.5	Very low	29.6	Very low	207 Å²	207	135 Å²	135	78%	0.781	72%	0.718	S	S	*	*	H	α-helix	trans	-85.6	-37.5	171.9	-100.2	-177.6	-176.4	161.9	1.8	112.1	E414 F415 F419 K420	E414-R417 PolarHBondContact O-N 2.96Å; E414-R417 VanDerWaalsContact O-N 3.09Å; F415-R417 VanDerWaalsContact C-N 3.32Å; F415-R417 PolarHBondContact O-N 3.28Å; R417-F419 VanDerWaalsContact C-N 3.3Å; R417-F419 PolarHBondContact O-N 2.96Å; R417-K420 PolarHBondContact O-N 3.21Å
418	K	28.3	Very low	29.5	Very low	172 Å²	172	139 Å²	139	75%	0.748	72%	0.72	S	S	*	*	H	α-helix	trans	-73	-20.2	-175	-127.2	172.9	-178	177.1	0	114.2	E414 F415	E414-K418 PolarHBondContact O-N 2.89Å; E414-K418 VanDerWaalsContact O-N 3.11Å; F415-K418 PolarHBondContact O-N 3.42Å
419	F	33.2	Very low	29.7	Very low	152 Å²	152	139.4 Å²	139.4	67%	0.667	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	0.8	174.3	-87.5	-77.6	0	0	0	115.3	F415 R417	F415-F419 HydrophobicContact CD1-CD2 4.45Å; F415-F419 HydrophobicContact CE1-CD2 4.1Å; F415-F419 HydrophobicContact CE1-CE2 4.08Å; F415-F419 AromaticContact CE2-CE2 3.95Å; F415-F419 HydrophobicContact CE2-CE2 3.95Å; F415-F419 HydrophobicContact CZ-CD2 4.14Å; F415-F419 AromaticContact CZ-CE2 3.65Å; F415-F419 HydrophobicContact CZ-CE2 3.65Å; R417-F419 VanDerWaalsContact C-N 3.3Å; R417-F419 PolarHBondContact O-N 2.96Å
420	K	29.8	Very low	29.6	Very low	181 Å²	181	139.5 Å²	139.5	79%	0.787	73%	0.726	S	S	*	*	S	Bend	trans	-98.4	-12.4	176.2	-146.5	176.4	-175.8	-178.1	0	114	R417	R417-K420 PolarHBondContact O-N 3.21Å
421	N	27.3	Very low	29.4	Very low	144 Å²	144	138.6 Å²	138.6	77%	0.77	73%	0.734	S	S	*	*	S	Bend	trans	-127.7	40.2	-176	-73.1	30.1	0	0	0	112.3
422	S	25.8	Very low	29.5	Very low	79 Å²	79	137.5 Å²	137.5	55%	0.552	73%	0.727	S	S	*	*			trans	-117.1	55.2	169.6	64.1	0	0	0	0	110.7	E424	S422-E424 VanDerWaalsContact C-N 3.34Å; S422-E424 PolarHBondContact O-N 3.01Å
423	S	28.1	Very low	30	Very low	111 Å²	111	138.8 Å²	138.8	78%	0.776	73%	0.726	S	S	*	*			trans	-82.8	84	157.5	56	0	0	0	0	107.6
424	E	25.8	Very low	30.5	Very low	191 Å²	191	129.3 Å²	129.3	89%	0.893	69%	0.691	S	S	*	*			trans	-70.6	138.3	163.3	-74.4	-174.2	159.5	0	0	108.6	S422	S422-E424 VanDerWaalsContact C-N 3.34Å; S422-E424 PolarHBondContact O-N 3.01Å
425	T	31.2	Very low	31.4	Very low	127 Å²	127	127.6 Å²	127.6	78%	0.779	68%	0.681	S	S	*	*			trans	-78	131.2	-166	46.3	0	0	0	0	111.9
426	D	24.1	Very low	33.4	Very low	154 Å²	154	122.6 Å²	122.6	82%	0.824	67%	0.668	S	S	*	*			trans	-145	123.2	142.2	-95.2	-39.9	0	0	0	111.9
427	T	25.4	Very low	36	Very low	120 Å²	120	117.2 Å²	117.2	74%	0.736	64%	0.639	S	S	*	*			trans	43.5	96.2	154.5	55	0	0	0	0	121.9
428	N	29	Very low	38.7	Very low	165 Å²	165	107.8 Å²	107.8	88%	0.882	61%	0.605	S	S	*	*			trans	20.1	109.8	139.5	-65	-15.6	0	0	0	119.9
429	S	29.5	Very low	41.5	Very low	95 Å²	95	104 Å²	104	66%	0.664	59%	0.592	S	S	*	*			trans	-173	28.6	142.8	41.9	0	0	0	0	117	A431	S429-A431 PolarHBondContact O-N 3.36Å
430	S	30.5	Very low	44.3	Very low	122 Å²	122	97.4 Å²	97.4	85%	0.853	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	41.9	-178.3	65.8	0	0	0	0	115.4
431	A	26.1	Very low	47.3	Very low	94 Å²	94	88.8 Å²	88.8	78%	0.777	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150	7.5	178.6	0	0	0	0	0	114.6	S429	S429-A431 PolarHBondContact O-N 3.36Å
432	S	33.8	Very low	50.3	Low	67 Å²	67	86.1 Å²	86.1	47%	0.469	51%	0.509	S	S	.	.			trans	-133.4	11.7	-164.1	-162.9	0	0	0	0	116.3	V434 F435 G436	S432-V434 PolarHBondContact O-N 2.98Å; S432-F435 PolarHBondContact O-N 3.43Å; S432-G436 PolarHBondContact O-N 2.87Å
433	E	46	Very low	53.5	Low	130 Å²	130	86.6 Å²	86.6	61%	0.607	50%	0.503	S	S	*	.	H	α-helix	trans	-70.2	-37.1	-168.1	-62.8	-177.3	159.1	0	0	114.2	F435 G436 L437	E433-F435 PolarHBondContact O-N 2.89Å; E433-G436 PolarHBondContact O-N 3.03Å; E433-L437 PolarHBondContact O-N 2.92Å
434	V	42.3	Very low	56.6	Low	6 Å²	6	81.3 Å²	81.3	4%	0.036	47%	0.466	C	S	.	.	H	α-helix	trans	-76.4	-21.3	-179.4	176.2	0	0	0	0	114.1	S432 N596 T597 G598	S432-V434 PolarHBondContact O-N 2.98Å; V434-N596 WeakPolarHBondContact CG2-O 3.39Å; V434-T597 VanDerWaalsContact CG2-C 3.48Å; V434-T597 VanDerWaalsContact CG2-CA 3.48Å; V434-G598 VanDerWaalsContact CG2-N 3.32Å
435	F	47.9	Very low	59.6	Low	108 Å²	108	74.2 Å²	74.2	47%	0.474	43%	0.433	S	S	.	.	H	α-helix	trans	-69.9	-48.9	170	-76.4	-88.3	0	0	0	109.2	S432 E433 L437 L438 D439	S432-F435 PolarHBondContact O-N 3.43Å; E433-F435 PolarHBondContact O-N 2.89Å; F435-L437 VanDerWaalsContact C-N 3.32Å; F435-L437 PolarHBondContact O-N 2.98Å; F435-L438 PolarHBondContact O-N 3.46Å; F435-L438 VanDerWaalsContact O-N 3.15Å; F435-D439 PolarHBondContact O-N 3.08Å; F435-D439 VanDerWaalsContact O-N 3.09Å; F435-D439 VanDerWaalsContact O-OD2 3.12Å
436	G	74.7	Confident	62.4	Low	32 Å²	32	71.9 Å²	71.9	33%	0.33	42%	0.42	S	S	.	.	H	α-helix	trans	-53.6	-39.3	179.3	0	0	0	0	0	115.2	S432 E433 L438 D439 L440	S432-G436 PolarHBondContact O-N 2.87Å; E433-G436 PolarHBondContact O-N 3.03Å; G436-L438 PolarHBondContact O-N 2.91Å; G436-D439 PolarHBondContact O-N 3.34Å; G436-L440 WeakPolarHBondContact O-CB 3.37Å; G436-L440 PolarHBondContact O-N 3.33Å
437	L	86.6	Confident	65.6	Low	4 Å²	4	66.6 Å²	66.6	2%	0.021	39%	0.39	C	S	.	.	H	α-helix	trans	-64.3	-40.1	179.2	-78	177.9	0	0	0	114.2	E433 F435 I441 I472 D605 L608 N609 L612	E433-L437 PolarHBondContact O-N 2.92Å; F435-L437 VanDerWaalsContact C-N 3.32Å; F435-L437 PolarHBondContact O-N 2.98Å; L437-I441 WeakPolarHBondContact O-CD1 3.24Å; L437-I441 VanDerWaalsContact O-CG1 3.3Å; L437-I441 WeakPolarHBondContact O-CG1 3.36Å; L437-I441 PolarHBondContact O-N 3.45Å; L437-I472 HydrophobicContact CB-CD1 4.48Å; L437-D605 HydrophobicContact CD1-CB 3.76Å; L437-L608 HydrophobicContact CD1-CD2 4.37Å; L437-L608 HydrophobicContact CD2-CB 4.28Å; L437-L608 HydrophobicContact CD2-CD2 4.18Å; L437-L608 HydrophobicContact CD2-CG 4.03Å; L437-N609 HydrophobicContact CD2-CB 3.77Å; L437-L612 HydrophobicContact CD2-CD1 4.09Å
438	L	87.1	Confident	68.6	Low	10 Å²	10	60.9 Å²	60.9	5%	0.052	36%	0.355	C	S	.	.	H	α-helix	trans	-74.6	-41.3	177.3	-79.2	175.3	0	0	0	111.1	F435 G436 L440 I441 E442 Q469 I472 K473 K476	F435-L438 PolarHBondContact O-N 3.46Å; F435-L438 VanDerWaalsContact O-N 3.15Å; G436-L438 PolarHBondContact O-N 2.91Å; L438-L440 VanDerWaalsContact C-N 3.32Å; L438-L440 PolarHBondContact O-N 3.09Å; L438-I441 PolarHBondContact O-N 2.82Å; L438-E442 WeakPolarHBondContact O-CB 3.4Å; L438-E442 WeakPolarHBondContact O-CG 3.45Å; L438-E442 PolarHBondContact O-N 3.38Å; L438-Q469 HydrophobicContact CD2-CG 4.14Å; L438-I472 HydrophobicContact CD1-CG2 4.03Å; L438-I472 HydrophobicContact CD2-CB 3.94Å; L438-I472 HydrophobicContact CD2-CG2 3.79Å; L438-I472 HydrophobicContact CG-CB 4.42Å; L438-I472 HydrophobicContact CG-CG2 3.71Å; L438-K473 HydrophobicContact CD1-CG 4.29Å; L438-K473 HydrophobicContact CD2-CG 4.08Å; L438-K476 HydrophobicContact CD1-CD 4.26Å
439	D	88.1	Confident	71.3	Confident	92 Å²	92	55.3 Å²	55.3	49%	0.492	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-43	179.3	-58.1	-23.3	0	0	0	110.3	F435 G436 E442 E443	F435-D439 PolarHBondContact O-N 3.08Å; F435-D439 VanDerWaalsContact O-N 3.09Å; F435-D439 VanDerWaalsContact O-OD2 3.12Å; G436-D439 PolarHBondContact O-N 3.34Å; D439-E442 CarbonylContact O-C 3.59Å; D439-E442 PolarHBondContact O-N 3.22Å; D439-E443 PolarHBondContact O-N 3.2Å
440	L	90.6	Very high	74	Confident	14 Å²	14	57 Å²	57	7%	0.073	33%	0.327	C	S	.	.	H	α-helix	trans	-65.7	-38.6	176.5	-177	60.4	0	0	0	113.1	G436 L438 E442 E443 I444 L612 N613 L616	G436-L440 WeakPolarHBondContact O-CB 3.37Å; G436-L440 PolarHBondContact O-N 3.33Å; L438-L440 VanDerWaalsContact C-N 3.32Å; L438-L440 PolarHBondContact O-N 3.09Å; L440-E442 VanDerWaalsContact C-N 3.34Å; L440-E443 PolarHBondContact O-N 3.24Å; L440-I444 HydrophobicContact CD1-CD1 4.02Å; L440-I444 HydrophobicContact CD1-CG1 4.39Å; L440-I444 HydrophobicContact CG-CD1 3.92Å; L440-I444 WeakPolarHBondContact O-CD1 3.49Å; L440-I444 WeakPolarHBondContact O-CG1 3.38Å; L440-I444 PolarHBondContact O-N 2.9Å; L440-L612 HydrophobicContact CD2-CB 3.44Å; L440-L612 VanDerWaalsContact CD2-CB 3.44Å; L440-L612 HydrophobicContact CD2-CD1 4.17Å; L440-L612 HydrophobicContact CD2-CG 4.47Å; L440-L612 HydrophobicContact CG-CB 3.95Å; L440-L612 HydrophobicContact CG-CD1 4.47Å; L440-N613 WeakPolarHBondContact CD2-ND2 3.48Å; L440-L616 HydrophobicContact CD1-CB 4.45Å; L440-L616 HydrophobicContact CD1-CD2 3.7Å
441	I	92.6	Very high	76.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66.1	-39.8	173	-68.8	167	0	0	0	110.7	L437 L438 E443 I444 Q445 L465 W468 Q469 I472 L612	L437-I441 WeakPolarHBondContact O-CD1 3.24Å; L437-I441 VanDerWaalsContact O-CG1 3.3Å; L437-I441 WeakPolarHBondContact O-CG1 3.36Å; L437-I441 PolarHBondContact O-N 3.45Å; L438-I441 PolarHBondContact O-N 2.82Å; I441-E443 VanDerWaalsContact C-N 3.28Å; I441-E443 PolarHBondContact O-N 3.26Å; I441-I444 PolarHBondContact O-N 3.22Å; I441-Q445 HydrophobicContact CG2-CG 4.14Å; I441-Q445 WeakPolarHBondContact O-CB 3.17Å; I441-Q445 VanDerWaalsContact O-CG 3.29Å; I441-Q445 WeakPolarHBondContact O-CG 3.36Å; I441-Q445 PolarHBondContact O-N 2.93Å; I441-L465 HydrophobicContact CG1-CD2 4.39Å; I441-L465 HydrophobicContact CG2-CB 4.33Å; I441-L465 HydrophobicContact CG2-CD2 4.39Å; I441-W468 HydrophobicContact CD1-CB 4.02Å; I441-Q469 HydrophobicContact CG2-CB 4.01Å; I441-Q469 HydrophobicContact CG2-CG 4.23Å; I441-I472 HydrophobicContact CD1-CD1 3.75Å; I441-L612 HydrophobicContact CD1-CD1 4.16Å; I441-L612 HydrophobicContact CG1-CD1 3.7Å; I441-L612 HydrophobicContact CG1-CD2 4.03Å
442	E	90.8	Very high	78.8	Confident	87 Å²	87	51.6 Å²	51.6	41%	0.407	27%	0.269	S	S	.	.	H	α-helix	trans	-71.7	-21.2	179.1	-72.4	177.4	-167.7	0	0	112.8	L438 D439 L440 P446 Q469 K473	L438-E442 WeakPolarHBondContact O-CB 3.4Å; L438-E442 WeakPolarHBondContact O-CG 3.45Å; L438-E442 PolarHBondContact O-N 3.38Å; D439-E442 CarbonylContact O-C 3.59Å; D439-E442 PolarHBondContact O-N 3.22Å; L440-E442 VanDerWaalsContact C-N 3.34Å; E442-P446 WeakPolarHBondContact O-CD 3.46Å; E442-P446 WeakPolarHBondContact O-CG 3.44Å; E442-Q469 VanDerWaalsContact CG-NE2 3.3Å; E442-Q469 PolarHBondContact OE1-NE2 2.81Å; E442-K473 WeakPolarHBondContact OE1-CE 3.47Å; E442-K473 IonicContact OE1-NZ 3.84Å; E442-K473 PolarHBondContact OE1-NZ 3.47Å
443	E	92.5	Very high	80.6	Confident	90 Å²	90	59 Å²	59	42%	0.421	29%	0.286	S	S	.	.	H	α-helix	trans	-77.9	-43.8	167.2	-178.8	173.6	-165.6	0	0	113.2	D439 L440 I441 P446 L616	D439-E443 PolarHBondContact O-N 3.2Å; L440-E443 PolarHBondContact O-N 3.24Å; I441-E443 VanDerWaalsContact C-N 3.28Å; I441-E443 PolarHBondContact O-N 3.26Å; E443-P446 WeakPolarHBondContact O-CD 3.45Å; E443-P446 WeakPolarHBondContact O-CG 3.43Å; E443-L616 HydrophobicContact CG-CD1 4.08Å
444	I	93.3	Very high	82	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-70.6	-42.4	-176.9	-68.1	164.6	0	0	0	111.8	L440 I441 K447 A448 L465 L612 I615 L616 L619	L440-I444 HydrophobicContact CD1-CD1 4.02Å; L440-I444 HydrophobicContact CD1-CG1 4.39Å; L440-I444 HydrophobicContact CG-CD1 3.92Å; L440-I444 WeakPolarHBondContact O-CD1 3.49Å; L440-I444 WeakPolarHBondContact O-CG1 3.38Å; L440-I444 PolarHBondContact O-N 2.9Å; I441-I444 PolarHBondContact O-N 3.22Å; I444-K447 PolarHBondContact O-N 3.3Å; I444-A448 PolarHBondContact O-N 3.44Å; I444-L465 HydrophobicContact CB-CD1 4.38Å; I444-L465 HydrophobicContact CG2-CD1 3.48Å; I444-L465 VanDerWaalsContact CG2-CD1 3.48Å; I444-L465 HydrophobicContact CG2-CD2 4.31Å; I444-L612 HydrophobicContact CD1-CB 3.91Å; I444-L612 HydrophobicContact CD1-CD2 3.89Å; I444-L612 HydrophobicContact CD1-CG 4.47Å; I444-L612 VanDerWaalsContact CD1-O 3.3Å; I444-L612 WeakPolarHBondContact CD1-O 3.34Å; I444-I615 HydrophobicContact CD1-CG2 4.4Å; I444-I615 HydrophobicContact CG2-CG2 3.68Å; I444-L616 HydrophobicContact CD1-CB 4.13Å; I444-L616 HydrophobicContact CG1-CB 3.89Å; I444-L616 HydrophobicContact CG1-CD1 4.02Å; I444-L616 HydrophobicContact CG1-CG 4.47Å; I444-L619 HydrophobicContact CG2-CD1 3.78Å
445	Q	90.3	Very high	83.8	Confident	42 Å²	42	57.4 Å²	57.4	20%	0.196	28%	0.278	C	S	.	.	H	α-helix	trans	-50.7	-52.6	-177.2	-82.2	179.2	-2.2	0	0	114.4	I441 K447 A448 A449 L465	I441-Q445 HydrophobicContact CG2-CG 4.14Å; I441-Q445 WeakPolarHBondContact O-CB 3.17Å; I441-Q445 VanDerWaalsContact O-CG 3.29Å; I441-Q445 WeakPolarHBondContact O-CG 3.36Å; I441-Q445 PolarHBondContact O-N 2.93Å; Q445-K447 PolarHBondContact O-N 3.39Å; Q445-A448 PolarHBondContact O-N 2.95Å; Q445-A449 VanDerWaalsContact O-CB 3.24Å; Q445-A449 WeakPolarHBondContact O-CB 3.33Å; Q445-A449 PolarHBondContact O-N 3.31Å; Q445-L465 HydrophobicContact CG-CB 3.99Å; Q445-L465 HydrophobicContact CG-CD1 4.34Å
446	P	89.4	Confident	85.2	Confident	77 Å²	77	56.4 Å²	56.4	50%	0.5	28%	0.278	S	S	.	.	H	α-helix	trans	-67	-35	-179.7	25.4	-34.8	0	0	0	113.2	E442 E443 K450	E442-P446 WeakPolarHBondContact O-CD 3.46Å; E442-P446 WeakPolarHBondContact O-CG 3.44Å; E443-P446 WeakPolarHBondContact O-CD 3.45Å; E443-P446 WeakPolarHBondContact O-CG 3.43Å; P446-K450 WeakPolarHBondContact O-CB 3.46Å; P446-K450 PolarHBondContact O-N 3.16Å
447	K	90.7	Very high	85.2	Confident	44 Å²	44	60.8 Å²	60.8	19%	0.191	29%	0.289	C	S	.	.	H	α-helix	trans	-62.3	-52.9	174.3	-78.1	171.3	170.1	-84.6	0	110.7	I444 Q445 A449 K450 M451 L616 L619 E623	I444-K447 PolarHBondContact O-N 3.3Å; Q445-K447 PolarHBondContact O-N 3.39Å; K447-A449 PolarHBondContact O-N 3.19Å; K447-K450 PolarHBondContact O-N 2.88Å; K447-M451 WeakPolarHBondContact O-CG 3.37Å; K447-M451 PolarHBondContact O-N 2.81Å; K447-L616 HydrophobicContact CD-CD1 3.79Å; K447-L619 HydrophobicContact CB-CD1 4.28Å; K447-E623 IonicContact NZ-OE2 3.06Å; K447-E623 PolarHBondContact NZ-OE2 2.73Å
448	A	89.5	Confident	85.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-41.8	177.3	0	0	0	0	0	112.5	I444 Q445 M451 Y452 L461 V462 L619	I444-A448 PolarHBondContact O-N 3.44Å; Q445-A448 PolarHBondContact O-N 2.95Å; A448-M451 PolarHBondContact O-N 3.16Å; A448-Y452 WeakPolarHBondContact O-CB 3.33Å; A448-Y452 PolarHBondContact O-N 3.39Å; A448-L461 HydrophobicContact CB-CD2 4.45Å; A448-V462 HydrophobicContact CB-CG2 3.7Å; A448-L619 HydrophobicContact CB-CD1 4.07Å
449	A	85.4	Confident	85.1	Confident	48 Å²	48	63.5 Å²	63.5	40%	0.397	30%	0.304	S	S	.	.	H	α-helix	trans	-69.6	-30.8	179.9	0	0	0	0	0	114	Q445 K447	Q445-A449 VanDerWaalsContact O-CB 3.24Å; Q445-A449 WeakPolarHBondContact O-CB 3.33Å; Q445-A449 PolarHBondContact O-N 3.31Å; K447-A449 PolarHBondContact O-N 3.19Å
450	K	85.9	Confident	85.2	Confident	130 Å²	130	62.7 Å²	62.7	57%	0.565	31%	0.306	S	S	*	.	H	α-helix	trans	-62.9	-47.3	170.6	174.7	-174	167.7	-169.3	0	110.4	P446 K447 E623	P446-K450 WeakPolarHBondContact O-CB 3.46Å; P446-K450 PolarHBondContact O-N 3.16Å; K447-K450 PolarHBondContact O-N 2.88Å; K450-E623 IonicContact NZ-OE1 3.3Å; K450-E623 PolarHBondContact NZ-OE1 2.81Å
451	M	83.5	Confident	85.2	Confident	12 Å²	12	62 Å²	62	6%	0.059	30%	0.302	C	S	.	.	H	α-helix	trans	-81.1	-19.6	-173.9	-58.3	-176.1	84.5	0	0	113.9	K447 A448 R453 E454 Y455 L458 L619 L622	K447-M451 WeakPolarHBondContact O-CG 3.37Å; K447-M451 PolarHBondContact O-N 2.81Å; A448-M451 PolarHBondContact O-N 3.16Å; M451-R453 PolarHBondContact O-N 3.01Å; M451-R453 VanDerWaalsContact O-N 3.08Å; M451-E454 PolarHBondContact O-N 3.43Å; M451-Y455 HydrophobicContact CB-CD2 4.34Å; M451-Y455 HydrophobicContact CE-CE2 4.2Å; M451-Y455 PolarHBondContact O-N 3.14Å; M451-L458 HydrophobicContact CB-CD1 3.64Å; M451-L619 HydrophobicContact SD-CD2 4.2Å; M451-L622 HydrophobicContact CE-CB 3.46Å; M451-L622 VanDerWaalsContact CE-CB 3.46Å; M451-L622 HydrophobicContact SD-CB 4.42Å
452	Y	74.4	Confident	85.1	Confident	91 Å²	91	63.9 Å²	63.9	36%	0.357	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-27.2	175.1	166.4	-120.5	0	0	0	114	A448 E454 N459	A448-Y452 WeakPolarHBondContact O-CB 3.33Å; A448-Y452 PolarHBondContact O-N 3.39Å; Y452-E454 PolarHBondContact O-N 3.35Å; Y452-N459 HydrophobicContact CD2-CB 3.96Å; Y452-N459 HydrophobicContact CE2-CB 3.59Å
453	R	71.3	Confident	85.1	Confident	221 Å²	221	63.8 Å²	63.8	83%	0.834	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-20.6	175.4	-67.5	-174.4	177.2	-172.8	0.1	113.9	M451	M451-R453 PolarHBondContact O-N 3.01Å; M451-R453 VanDerWaalsContact O-N 3.08Å
454	E	73.9	Confident	85.1	Confident	89 Å²	89	59.9 Å²	59.9	42%	0.416	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-33.2	-177.8	-64.9	173.1	-155.7	0	0	111.3	M451 Y452	M451-E454 PolarHBondContact O-N 3.43Å; Y452-E454 PolarHBondContact O-N 3.35Å
455	Y	80.8	Confident	85.1	Confident	15 Å²	15	59.9 Å²	59.9	6%	0.059	30%	0.298	C	S	.	.			trans	-126.4	102	-178.5	-51.2	-74.4	0	0	0	110.3	R353 M451 E457 L458 T635 L639	R353-Y455 PolarHBondContact NE-OH 2.94Å; M451-Y455 HydrophobicContact CB-CD2 4.34Å; M451-Y455 HydrophobicContact CE-CE2 4.2Å; M451-Y455 PolarHBondContact O-N 3.14Å; Y455-E457 VanDerWaalsContact C-OE2 3.32Å; Y455-E457 WeakPolarHBondContact CA-OE2 3.37Å; Y455-E457 PolarHBondContact O-N 3.04Å; Y455-L458 HydrophobicContact CD2-CD1 4.34Å; Y455-L458 PolarHBondContact O-N 3.38Å; Y455-T635 HydrophobicContact CE1-CG2 4.01Å; Y455-L639 HydrophobicContact CD1-CD1 3.6Å; Y455-L639 HydrophobicContact CD1-CD2 3.86Å; Y455-L639 HydrophobicContact CD1-CG 4.33Å; Y455-L639 HydrophobicContact CD2-CD2 4.46Å; Y455-L639 HydrophobicContact CE1-CD1 3.86Å; Y455-L639 HydrophobicContact CG-CD1 4.41Å; Y455-L639 HydrophobicContact CG-CD2 3.82Å
456	D	78	Confident	85.2	Confident	86 Å²	86	59.8 Å²	59.8	46%	0.46	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-26	-177	-69.4	-39.5	0	0	0	111.6	K354 L458 N459	K354-D456 VanDerWaalsContact NZ-CG 3.29Å; K354-D456 IonicContact NZ-OD1 3.65Å; K354-D456 PolarHBondContact NZ-OD1 3.42Å; K354-D456 IonicContact NZ-OD2 2.68Å; K354-D456 PolarHBondContact NZ-OD2 2.76Å; D456-L458 PolarHBondContact O-N 2.93Å; D456-N459 VanDerWaalsContact O-CB 3.31Å; D456-N459 WeakPolarHBondContact O-CB 3.4Å; D456-N459 PolarHBondContact O-N 3.42Å
457	E	75.1	Confident	85.3	Confident	124 Å²	124	60.3 Å²	60.3	58%	0.579	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.9	179.4	-60.1	80.7	-178.2	0	0	112.7	Y455 N459	Y455-E457 VanDerWaalsContact C-OE2 3.32Å; Y455-E457 WeakPolarHBondContact CA-OE2 3.37Å; Y455-E457 PolarHBondContact O-N 3.04Å; E457-N459 PolarHBondContact O-N 2.68Å
458	L	85.4	Confident	85.5	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-71.7	-10.2	-178.4	-58.4	180	0	0	0	113.5	M451 Y455 D456 S460 L461 V462 L619 L642	M451-L458 HydrophobicContact CB-CD1 3.64Å; Y455-L458 HydrophobicContact CD2-CD1 4.34Å; Y455-L458 PolarHBondContact O-N 3.38Å; D456-L458 PolarHBondContact O-N 2.93Å; L458-S460 VanDerWaalsContact C-N 3.33Å; L458-S460 PolarHBondContact O-N 3.49Å; L458-L461 HydrophobicContact CD2-CD2 4.47Å; L458-L461 WeakPolarHBondContact O-CB 3.09Å; L458-L461 PolarHBondContact O-N 3.06Å; L458-V462 WeakPolarHBondContact O-CG2 3.31Å; L458-V462 PolarHBondContact O-N 2.81Å; L458-L619 HydrophobicContact CD1-CD2 4.35Å; L458-L619 HydrophobicContact CD2-CD2 4.5Å; L458-L642 HydrophobicContact CD2-CB 4.38Å; L458-L642 HydrophobicContact CD2-CD1 3.84Å
459	N	86	Confident	85.6	Confident	67 Å²	67	59.7 Å²	59.7	36%	0.358	30%	0.298	S	S	.	.	H	α-helix	trans	-56.9	-45.3	178.3	-171.3	24.4	0	0	0	112.2	Y452 D456 E457 L461 V462 N463	Y452-N459 HydrophobicContact CD2-CB 3.96Å; Y452-N459 HydrophobicContact CE2-CB 3.59Å; D456-N459 VanDerWaalsContact O-CB 3.31Å; D456-N459 WeakPolarHBondContact O-CB 3.4Å; D456-N459 PolarHBondContact O-N 3.42Å; E457-N459 PolarHBondContact O-N 2.68Å; N459-L461 VanDerWaalsContact C-N 3.31Å; N459-L461 PolarHBondContact O-N 3.29Å; N459-V462 PolarHBondContact O-N 2.82Å; N459-N463 PolarHBondContact O-N 3.4Å; N459-N463 VanDerWaalsContact O-N 3.11Å; N459-N463 PolarHBondContact O-ND2 3.33Å; N459-N463 PolarHBondContact OD1-ND2 2.77Å
460	S	88.8	Confident	85.8	Confident	76 Å²	76	60.8 Å²	60.8	53%	0.531	30%	0.299	S	S	.	.	H	α-helix	trans	-60.9	-41.9	-179.9	-61.4	0	0	0	0	111.3	L458 N463 L464	L458-S460 VanDerWaalsContact C-N 3.33Å; L458-S460 PolarHBondContact O-N 3.49Å; S460-N463 PolarHBondContact O-N 2.8Å; S460-L464 VanDerWaalsContact O-CB 3.25Å; S460-L464 WeakPolarHBondContact O-CB 3.22Å; S460-L464 PolarHBondContact O-N 3.42Å
461	L	92.1	Very high	85.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-48.4	176.7	177.8	60.1	0	0	0	112.1	A448 L458 N459 N463 L464 L465 I615 L642 T646 L649	A448-L461 HydrophobicContact CB-CD2 4.45Å; L458-L461 HydrophobicContact CD2-CD2 4.47Å; L458-L461 WeakPolarHBondContact O-CB 3.09Å; L458-L461 PolarHBondContact O-N 3.06Å; N459-L461 VanDerWaalsContact C-N 3.31Å; N459-L461 PolarHBondContact O-N 3.29Å; L461-N463 VanDerWaalsContact C-N 3.35Å; L461-N463 PolarHBondContact O-N 2.86Å; L461-L464 PolarHBondContact O-N 3.12Å; L461-L465 HydrophobicContact CD1-CD1 3.96Å; L461-L465 HydrophobicContact CD1-CG 4.03Å; L461-L465 HydrophobicContact CG-CD1 3.91Å; L461-L465 HydrophobicContact CG-CG 4.43Å; L461-L465 VanDerWaalsContact O-CG 3.28Å; L461-L465 WeakPolarHBondContact O-CG 3.48Å; L461-L465 PolarHBondContact O-N 3.37Å; L461-I615 HydrophobicContact CD1-CD1 3.94Å; L461-I615 HydrophobicContact CD1-CG2 4.19Å; L461-I615 HydrophobicContact CD2-CG2 3.83Å; L461-L642 HydrophobicContact CD2-CD2 4.04Å; L461-T646 HydrophobicContact CB-CG2 4.3Å; L461-L649 HydrophobicContact CD1-CD1 4.42Å
462	V	90.3	Very high	86.1	Confident	38 Å²	38	55.1 Å²	55.1	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-59.2	-45.4	179.5	173.5	0	0	0	0	111.3	A448 L458 N459 L464 A466	A448-V462 HydrophobicContact CB-CG2 3.7Å; L458-V462 WeakPolarHBondContact O-CG2 3.31Å; L458-V462 PolarHBondContact O-N 2.81Å; N459-V462 PolarHBondContact O-N 2.82Å; V462-L464 PolarHBondContact O-N 2.93Å; V462-A466 PolarHBondContact O-N 2.83Å
463	N	90.1	Very high	86.6	Confident	86 Å²	86	54.5 Å²	54.5	46%	0.46	28%	0.275	S	S	.	.	H	α-helix	trans	-65.3	-37.5	177.7	-70.6	-61.5	0	0	0	112.5	N459 S460 L461 A466 Q467	N459-N463 PolarHBondContact O-N 3.4Å; N459-N463 VanDerWaalsContact O-N 3.11Å; N459-N463 PolarHBondContact O-ND2 3.33Å; N459-N463 PolarHBondContact OD1-ND2 2.77Å; S460-N463 PolarHBondContact O-N 2.8Å; L461-N463 VanDerWaalsContact C-N 3.35Å; L461-N463 PolarHBondContact O-N 2.86Å; N463-A466 PolarHBondContact O-N 2.81Å; N463-Q467 PolarHBondContact O-N 2.84Å
464	L	92.8	Very high	87.2	Confident	7 Å²	7	49.8 Å²	49.8	4%	0.037	26%	0.264	C	S	.	.	H	α-helix	trans	-70.8	-40	179.5	-175.7	58.4	0	0	0	112.4	S460 L461 V462 A466 Q467 W468 T646 L649 D650 L653	S460-L464 VanDerWaalsContact O-CB 3.25Å; S460-L464 WeakPolarHBondContact O-CB 3.22Å; S460-L464 PolarHBondContact O-N 3.42Å; L461-L464 PolarHBondContact O-N 3.12Å; V462-L464 PolarHBondContact O-N 2.93Å; L464-A466 VanDerWaalsContact C-N 3.29Å; L464-A466 PolarHBondContact O-N 2.88Å; L464-Q467 WeakPolarHBondContact O-CB 3.36Å; L464-Q467 PolarHBondContact O-N 2.81Å; L464-Q467 VanDerWaalsContact O-N 3.14Å; L464-W468 PolarHBondContact O-N 2.86Å; L464-T646 HydrophobicContact CD2-CG2 3.94Å; L464-T646 WeakPolarHBondContact CD2-O 3.47Å; L464-L649 HydrophobicContact CD2-CB 3.49Å; L464-L649 VanDerWaalsContact CD2-CB 3.49Å; L464-L649 HydrophobicContact CG-CB 4.17Å; L464-D650 HydrophobicContact CD1-CB 4.29Å; L464-D650 HydrophobicContact CD2-CB 4.21Å; L464-L653 HydrophobicContact CD1-CD2 3.62Å
465	L	93.5	Very high	87.4	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-37.6	172.9	-70.7	166	0	0	0	111.9	I441 I444 Q445 L461 W468 Q469 L612 L649	I441-L465 HydrophobicContact CG1-CD2 4.39Å; I441-L465 HydrophobicContact CG2-CB 4.33Å; I441-L465 HydrophobicContact CG2-CD2 4.39Å; I444-L465 HydrophobicContact CB-CD1 4.38Å; I444-L465 HydrophobicContact CG2-CD1 3.48Å; I444-L465 VanDerWaalsContact CG2-CD1 3.48Å; I444-L465 HydrophobicContact CG2-CD2 4.31Å; Q445-L465 HydrophobicContact CG-CB 3.99Å; Q445-L465 HydrophobicContact CG-CD1 4.34Å; L461-L465 HydrophobicContact CD1-CD1 3.96Å; L461-L465 HydrophobicContact CD1-CG 4.03Å; L461-L465 HydrophobicContact CG-CD1 3.91Å; L461-L465 HydrophobicContact CG-CG 4.43Å; L461-L465 VanDerWaalsContact O-CG 3.28Å; L461-L465 WeakPolarHBondContact O-CG 3.48Å; L461-L465 PolarHBondContact O-N 3.37Å; L465-W468 PolarHBondContact O-N 2.82Å; L465-Q469 WeakPolarHBondContact O-CB 3.3Å; L465-Q469 PolarHBondContact O-N 2.72Å; L465-L612 HydrophobicContact CD2-CD2 3.54Å; L465-L649 HydrophobicContact CD2-CD1 4.38Å
466	A	91.3	Very high	87.1	Confident	40 Å²	40	50.6 Å²	50.6	33%	0.331	27%	0.268	S	S	.	.	H	α-helix	trans	-66.3	-36.2	174.6	0	0	0	0	0	112.7	V462 N463 L464 T470	V462-A466 PolarHBondContact O-N 2.83Å; N463-A466 PolarHBondContact O-N 2.81Å; L464-A466 VanDerWaalsContact C-N 3.29Å; L464-A466 PolarHBondContact O-N 2.88Å; A466-T470 WeakPolarHBondContact O-CB 3.08Å; A466-T470 PolarHBondContact O-N 2.79Å; A466-T470 PolarHBondContact O-OG1 3.27Å
467	Q	93.1	Very high	86.8	Confident	88 Å²	88	53.7 Å²	53.7	41%	0.411	28%	0.278	S	S	.	.	H	α-helix	trans	-64.6	-46.4	172.7	-69.6	-176.9	69.6	0	0	111.8	N463 L464 T470 L471 L653	N463-Q467 PolarHBondContact O-N 2.84Å; L464-Q467 WeakPolarHBondContact O-CB 3.36Å; L464-Q467 PolarHBondContact O-N 2.81Å; L464-Q467 VanDerWaalsContact O-N 3.14Å; Q467-T470 WeakPolarHBondContact O-CB 3.44Å; Q467-T470 PolarHBondContact O-N 3.28Å; Q467-L471 PolarHBondContact O-N 2.89Å; Q467-L653 HydrophobicContact CB-CD2 3.86Å
468	W	93.4	Very high	86.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-48.7	175.6	-85.7	113.9	0	0	0	112.7	I441 L464 L465 T470 L471 I472 T599 L608 L649 L652 L653 A656	I441-W468 HydrophobicContact CD1-CB 4.02Å; L464-W468 PolarHBondContact O-N 2.86Å; L465-W468 PolarHBondContact O-N 2.82Å; W468-T470 PolarHBondContact O-N 3.26Å; W468-L471 PolarHBondContact O-N 2.83Å; W468-I472 WeakPolarHBondContact O-CG1 3.41Å; W468-I472 PolarHBondContact O-N 3Å; W468-T599 HydrophobicContact CE3-CG2 4.46Å; W468-T599 HydrophobicContact CZ3-CG2 3.68Å; W468-L608 HydrophobicContact CD2-CD1 3.93Å; W468-L608 HydrophobicContact CD2-CD2 4.09Å; W468-L608 HydrophobicContact CE3-CD1 4.28Å; W468-L608 HydrophobicContact CE3-CD2 3.65Å; W468-L608 HydrophobicContact CG-CD1 4.4Å; W468-L608 HydrophobicContact CH2-CD1 4.25Å; W468-L608 HydrophobicContact CH2-CD2 4.23Å; W468-L608 HydrophobicContact CZ2-CD1 3.89Å; W468-L608 HydrophobicContact CZ3-CD1 4.45Å; W468-L608 HydrophobicContact CZ3-CD2 3.76Å; W468-L649 WeakPolarHBondContact CZ2-O 3.48Å; W468-L649 PolarHBondContact NE1-O 2.66Å; W468-L652 HydrophobicContact CH2-CB 4.45Å; W468-L652 HydrophobicContact CH2-CD2 4.33Å; W468-L652 HydrophobicContact CH2-CG 3.95Å; W468-L652 HydrophobicContact CZ2-CB 3.97Å; W468-L652 HydrophobicContact CZ2-CD2 4.15Å; W468-L652 HydrophobicContact CZ2-CG 3.89Å; W468-L653 HydrophobicContact CD2-CB 4.47Å; W468-L653 HydrophobicContact CD2-CD1 3.85Å; W468-L653 HydrophobicContact CE3-CD1 3.9Å; W468-L653 HydrophobicContact CG-CD1 4.43Å; W468-L653 HydrophobicContact CH2-CB 4.23Å; W468-L653 HydrophobicContact CH2-CD1 4.26Å; W468-L653 HydrophobicContact CZ2-CB 3.61Å; W468-L653 HydrophobicContact CZ2-CD1 4.21Å; W468-L653 HydrophobicContact CZ3-CD1 4.08Å; W468-A656 HydrophobicContact CH2-CB 3.58Å; W468-A656 HydrophobicContact CZ3-CB 3.69Å
469	Q	91.4	Very high	85.3	Confident	31 Å²	31	52.5 Å²	52.5	15%	0.145	29%	0.287	C	S	.	.	H	α-helix	trans	-57.2	-39	176.4	-161.1	-171	22.9	0	0	111.7	L438 I441 E442 L465 K473	L438-Q469 HydrophobicContact CD2-CG 4.14Å; I441-Q469 HydrophobicContact CG2-CB 4.01Å; I441-Q469 HydrophobicContact CG2-CG 4.23Å; E442-Q469 VanDerWaalsContact CG-NE2 3.3Å; E442-Q469 PolarHBondContact OE1-NE2 2.81Å; L465-Q469 WeakPolarHBondContact O-CB 3.3Å; L465-Q469 PolarHBondContact O-N 2.72Å; Q469-K473 HydrophobicContact CG-CD 4.12Å; Q469-K473 VanDerWaalsContact O-CB 3.26Å; Q469-K473 WeakPolarHBondContact O-CB 3.3Å; Q469-K473 WeakPolarHBondContact O-CG 3.47Å; Q469-K473 PolarHBondContact O-N 2.99Å
470	T	90.1	Very high	84.1	Confident	71 Å²	71	54.8 Å²	54.8	44%	0.436	30%	0.296	S	S	.	.	H	α-helix	trans	-66.1	-48.1	176.8	-60.5	0	0	0	0	111.6	A466 Q467 W468 K473 M474	A466-T470 WeakPolarHBondContact O-CB 3.08Å; A466-T470 PolarHBondContact O-N 2.79Å; A466-T470 PolarHBondContact O-OG1 3.27Å; Q467-T470 WeakPolarHBondContact O-CB 3.44Å; Q467-T470 PolarHBondContact O-N 3.28Å; W468-T470 PolarHBondContact O-N 3.26Å; T470-K473 PolarHBondContact O-N 3.05Å; T470-M474 HydrophobicContact CG2-CE 3.64Å; T470-M474 HydrophobicContact CG2-CG 4.5Å; T470-M474 HydrophobicContact CG2-SD 4.1Å; T470-M474 WeakPolarHBondContact O-CG 3.31Å; T470-M474 PolarHBondContact O-N 2.86Å
471	L	88.1	Confident	82.5	Confident	23 Å²	23	54.5 Å²	54.5	12%	0.12	29%	0.293	C	S	.	.	H	α-helix	trans	-58.8	-49.8	178.6	-176	154.3	0	0	0	111.5	Q467 W468 K473 M474 N475 T599 L653 A656 K657	Q467-L471 PolarHBondContact O-N 2.89Å; W468-L471 PolarHBondContact O-N 2.83Å; L471-K473 VanDerWaalsContact C-N 3.34Å; L471-K473 PolarHBondContact O-N 2.7Å; L471-M474 WeakPolarHBondContact O-CB 3.5Å; L471-M474 PolarHBondContact O-N 3.15Å; L471-M474 VanDerWaalsContact O-N 3.15Å; L471-N475 WeakPolarHBondContact CD2-ND2 3.35Å; L471-N475 PolarHBondContact O-N 3.12Å; L471-T599 HydrophobicContact CD2-CG2 4.27Å; L471-L653 HydrophobicContact CD1-CD1 3.67Å; L471-A656 HydrophobicContact CD1-CB 4.47Å; L471-K657 HydrophobicContact CD1-CG 4.09Å
472	I	87.3	Confident	80.7	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-39.4	-179.2	-59.7	163.6	0	0	0	110.6	L437 L438 I441 W468 M474 N475 K476 L608	L437-I472 HydrophobicContact CB-CD1 4.48Å; L438-I472 HydrophobicContact CD1-CG2 4.03Å; L438-I472 HydrophobicContact CD2-CB 3.94Å; L438-I472 HydrophobicContact CD2-CG2 3.79Å; L438-I472 HydrophobicContact CG-CB 4.42Å; L438-I472 HydrophobicContact CG-CG2 3.71Å; I441-I472 HydrophobicContact CD1-CD1 3.75Å; W468-I472 WeakPolarHBondContact O-CG1 3.41Å; W468-I472 PolarHBondContact O-N 3Å; I472-M474 VanDerWaalsContact C-N 3.35Å; I472-M474 PolarHBondContact O-N 2.81Å; I472-N475 PolarHBondContact O-N 3.22Å; I472-K476 VanDerWaalsContact O-CB 3.3Å; I472-K476 WeakPolarHBondContact O-CB 3.2Å; I472-K476 PolarHBondContact O-N 3.42Å; I472-L608 HydrophobicContact CD1-CD2 3.95Å
473	K	86.5	Confident	78.8	Confident	78 Å²	78	60.6 Å²	60.6	34%	0.339	33%	0.325	S	S	.	.	H	α-helix	trans	-67.5	-30.8	174.9	-74.1	175.4	-179.1	178.2	0	112.8	L438 E442 Q469 T470 L471 K477	L438-K473 HydrophobicContact CD1-CG 4.29Å; L438-K473 HydrophobicContact CD2-CG 4.08Å; E442-K473 WeakPolarHBondContact OE1-CE 3.47Å; E442-K473 IonicContact OE1-NZ 3.84Å; E442-K473 PolarHBondContact OE1-NZ 3.47Å; Q469-K473 HydrophobicContact CG-CD 4.12Å; Q469-K473 VanDerWaalsContact O-CB 3.26Å; Q469-K473 WeakPolarHBondContact O-CB 3.3Å; Q469-K473 WeakPolarHBondContact O-CG 3.47Å; Q469-K473 PolarHBondContact O-N 2.99Å; T470-K473 PolarHBondContact O-N 3.05Å; L471-K473 VanDerWaalsContact C-N 3.34Å; L471-K473 PolarHBondContact O-N 2.7Å; K473-K477 WeakPolarHBondContact O-CG 3.06Å; K473-K477 PolarHBondContact O-N 2.93Å
474	M	83.3	Confident	76.6	Confident	121 Å²	121	64.2 Å²	64.2	60%	0.596	34%	0.337	S	S	*	.	H	α-helix	trans	-69.4	-50.6	172.9	-75.4	176.3	174.5	0	0	111.5	T470 L471 I472 K476 K477 A478	T470-M474 HydrophobicContact CG2-CE 3.64Å; T470-M474 HydrophobicContact CG2-CG 4.5Å; T470-M474 HydrophobicContact CG2-SD 4.1Å; T470-M474 WeakPolarHBondContact O-CG 3.31Å; T470-M474 PolarHBondContact O-N 2.86Å; L471-M474 WeakPolarHBondContact O-CB 3.5Å; L471-M474 PolarHBondContact O-N 3.15Å; L471-M474 VanDerWaalsContact O-N 3.15Å; I472-M474 VanDerWaalsContact C-N 3.35Å; I472-M474 PolarHBondContact O-N 2.81Å; M474-K476 VanDerWaalsContact C-N 3.33Å; M474-K476 PolarHBondContact O-N 3.31Å; M474-K477 WeakPolarHBondContact O-CB 2.94Å; M474-K477 PolarHBondContact O-N 3.19Å; M474-K477 VanDerWaalsContact O-N 3.08Å; M474-A478 PolarHBondContact O-N 3.01Å
475	N	77.6	Confident	74.2	Confident	52 Å²	52	71.5 Å²	71.5	28%	0.278	37%	0.371	S	S	.	.	H	α-helix	trans	-60	-41.7	178.1	-73.8	-9.2	0	0	0	112	L471 I472 K477 A478 S479 G598 T599	L471-N475 WeakPolarHBondContact CD2-ND2 3.35Å; L471-N475 PolarHBondContact O-N 3.12Å; I472-N475 PolarHBondContact O-N 3.22Å; N475-K477 VanDerWaalsContact C-N 3.3Å; N475-K477 PolarHBondContact O-N 3.41Å; N475-A478 PolarHBondContact O-N 2.93Å; N475-S479 PolarHBondContact O-N 3.2Å; N475-S479 PolarHBondContact O-OG 2.97Å; N475-G598 VanDerWaalsContact CB-O 3.28Å; N475-G598 WeakPolarHBondContact CB-O 3.4Å; N475-G598 PolarHBondContact ND2-O 3.08Å; N475-T599 PolarHBondContact ND2-O 2.86Å
476	K	75.8	Confident	71.5	Confident	69 Å²	69	75.3 Å²	75.3	30%	0.3	40%	0.397	S	S	.	.	H	α-helix	trans	-57.8	-39.3	174	-172	170.9	-174.1	168.2	0	112.5	L438 I472 M474 Q480	L438-K476 HydrophobicContact CD1-CD 4.26Å; I472-K476 VanDerWaalsContact O-CB 3.3Å; I472-K476 WeakPolarHBondContact O-CB 3.2Å; I472-K476 PolarHBondContact O-N 3.42Å; M474-K476 VanDerWaalsContact C-N 3.33Å; M474-K476 PolarHBondContact O-N 3.31Å; K476-Q480 VanDerWaalsContact O-CG 3.29Å; K476-Q480 WeakPolarHBondContact O-CG 3.32Å; K476-Q480 PolarHBondContact O-N 3.47Å; K476-Q480 VanDerWaalsContact O-N 3.17Å
477	K	71.6	Confident	69.1	Low	151 Å²	151	79.4 Å²	79.4	66%	0.657	41%	0.412	S	S	*	.	H	α-helix	trans	-68.4	-42.6	175.8	-73.2	172.8	-177.9	179.8	0	111.9	K473 M474 N475 Q480 S481	K473-K477 WeakPolarHBondContact O-CG 3.06Å; K473-K477 PolarHBondContact O-N 2.93Å; M474-K477 WeakPolarHBondContact O-CB 2.94Å; M474-K477 PolarHBondContact O-N 3.19Å; M474-K477 VanDerWaalsContact O-N 3.08Å; N475-K477 VanDerWaalsContact C-N 3.3Å; N475-K477 PolarHBondContact O-N 3.41Å; K477-Q480 PolarHBondContact O-N 2.96Å; K477-S481 PolarHBondContact O-N 3.49Å; K477-S481 PolarHBondContact O-OG 2.94Å
478	A	65.1	Low	66.6	Low	54 Å²	54	83.5 Å²	83.5	45%	0.446	43%	0.431	S	S	.	.	H	α-helix	trans	-60.4	-45.9	176.5	0	0	0	0	0	112.1	M474 N475 Q480 S481 S482	M474-A478 PolarHBondContact O-N 3.01Å; N475-A478 PolarHBondContact O-N 2.93Å; A478-Q480 VanDerWaalsContact C-N 3.25Å; A478-Q480 PolarHBondContact O-N 3.33Å; A478-S481 PolarHBondContact O-N 2.97Å; A478-S481 PolarHBondContact O-OG 2.91Å; A478-S482 PolarHBondContact O-N 3.49Å; A478-S482 PolarHBondContact O-OG 3.25Å
479	S	63.8	Low	63.9	Low	49 Å²	49	88.5 Å²	88.5	34%	0.343	47%	0.466	S	S	.	.	H	α-helix	trans	-66.9	-22.4	176.6	-63.4	0	0	0	0	113.9	N475 S482	N475-S479 PolarHBondContact O-N 3.2Å; N475-S479 PolarHBondContact O-OG 2.97Å; S479-S482 PolarHBondContact O-OG 3.45Å
480	Q	59.3	Low	61.3	Low	116 Å²	116	93.7 Å²	93.7	54%	0.542	49%	0.493	S	S	.	.	H	α-helix	trans	-84	-31.1	172.1	-74.5	179.1	0	0	0	112.9	K476 K477 A478 K484	K476-Q480 VanDerWaalsContact O-CG 3.29Å; K476-Q480 WeakPolarHBondContact O-CG 3.32Å; K476-Q480 PolarHBondContact O-N 3.47Å; K476-Q480 VanDerWaalsContact O-N 3.17Å; K477-Q480 PolarHBondContact O-N 2.96Å; A478-Q480 VanDerWaalsContact C-N 3.25Å; A478-Q480 PolarHBondContact O-N 3.33Å; Q480-K484 PolarHBondContact O-N 3.33Å
481	S	56.6	Low	58.7	Low	69 Å²	69	98.2 Å²	98.2	48%	0.483	52%	0.515	S	S	.	.	H	α-helix	trans	-71	-39.8	176.8	53.3	0	0	0	0	112.7	K477 A478 K483 K484 Q485	K477-S481 PolarHBondContact O-N 3.49Å; K477-S481 PolarHBondContact O-OG 2.94Å; A478-S481 PolarHBondContact O-N 2.97Å; A478-S481 PolarHBondContact O-OG 2.91Å; S481-K483 PolarHBondContact O-N 3.36Å; S481-K484 PolarHBondContact O-N 2.94Å; S481-Q485 PolarHBondContact O-N 3.06Å
482	S	54.4	Low	56	Low	65 Å²	65	102.4 Å²	102.4	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-64	-39.8	176.9	57.3	0	0	0	0	112.3	A478 S479 K484 Q485 S486	A478-S482 PolarHBondContact O-N 3.49Å; A478-S482 PolarHBondContact O-OG 3.25Å; S479-S482 PolarHBondContact O-OG 3.45Å; S482-K484 VanDerWaalsContact C-N 3.28Å; S482-K484 PolarHBondContact O-N 2.85Å; S482-Q485 PolarHBondContact O-N 2.97Å; S482-S486 PolarHBondContact O-N 2.93Å
483	K	49.6	Very low	53.2	Low	101 Å²	101	110.3 Å²	110.3	44%	0.439	59%	0.587	S	S	.	*	H	α-helix	trans	-63.3	-28.4	174.9	-76	177	177.1	168.8	0	113.1	S481 I487 S595	S481-K483 PolarHBondContact O-N 3.36Å; K483-I487 WeakPolarHBondContact O-CD1 3.47Å; K483-I487 WeakPolarHBondContact O-CG1 3.29Å; K483-S595 PolarHBondContact NZ-O 3.5Å; K483-S595 PolarHBondContact NZ-OG 2.9Å
484	K	44.3	Very low	50.7	Low	163 Å²	163	112.1 Å²	112.1	71%	0.709	61%	0.607	S	S	*	*	H	α-helix	trans	-73.8	-33.4	175.4	-79.6	-174.2	175	-177.9	0	114.1	Q480 S481 S482	Q480-K484 PolarHBondContact O-N 3.33Å; S481-K484 PolarHBondContact O-N 2.94Å; S482-K484 VanDerWaalsContact C-N 3.28Å; S482-K484 PolarHBondContact O-N 2.85Å
485	Q	41.7	Very low	48.3	Very low	160 Å²	160	117.6 Å²	117.6	75%	0.748	62%	0.621	S	S	*	*	H	α-helix	trans	-72.3	-32.5	175.7	-76.9	178.8	-32.6	0	0	112.4	S481 S482 I487	S481-Q485 PolarHBondContact O-N 3.06Å; S482-Q485 PolarHBondContact O-N 2.97Å; Q485-I487 VanDerWaalsContact C-N 3.3Å; Q485-I487 PolarHBondContact O-N 3.14Å
486	S	37.9	Very low	46	Very low	79 Å²	79	121.9 Å²	121.9	55%	0.552	64%	0.644	S	S	*	*	H	α-helix	trans	-65.3	-26.5	179.6	-174.8	0	0	0	0	114.6	S482 H488	S482-S486 PolarHBondContact O-N 2.93Å; S486-H488 PolarHBondContact O-N 2.9Å
487	I	41.1	Very low	43.8	Very low	127 Å²	127	126.9 Å²	126.9	65%	0.651	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-17.7	-172	-67.7	166.3	0	0	0	113.2	K483 Q485	K483-I487 WeakPolarHBondContact O-CD1 3.47Å; K483-I487 WeakPolarHBondContact O-CG1 3.29Å; Q485-I487 VanDerWaalsContact C-N 3.3Å; Q485-I487 PolarHBondContact O-N 3.14Å
488	H	39.5	Very low	42	Very low	173 Å²	173	124.7 Å²	124.7	80%	0.801	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	4.4	-177.8	-79.8	-58.2	0	0	0	115.5	S486	S486-H488 PolarHBondContact O-N 2.9Å
489	S	37.2	Very low	40.3	Very low	105 Å²	105	130.3 Å²	130.3	73%	0.734	69%	0.688	S	S	*	*	S	Bend	trans	-121.2	27.6	-173.8	-57.7	0	0	0	0	115.1
490	I	37.8	Very low	38.5	Very low	140 Å²	140	135.5 Å²	135.5	72%	0.718	72%	0.718	S	S	*	*			trans	-130.1	85.6	177.8	-44.8	179.3	0	0	0	111.1
491	N	34	Very low	36.9	Very low	167 Å²	167	134.8 Å²	134.8	89%	0.893	73%	0.726	S	S	*	*			trans	-160.6	80.2	166	-112.1	-13.8	0	0	0	112.3
492	S	31.8	Very low	35.6	Very low	110 Å²	110	136.2 Å²	136.2	77%	0.769	74%	0.736	S	S	*	*			trans	171.6	93.7	144.2	55.5	0	0	0	0	115.3
493	L	29.3	Very low	34.4	Very low	167 Å²	167	139.1 Å²	139.1	87%	0.874	75%	0.751	S	S	*	*			trans	58.1	177.9	139.9	-63.7	166.1	0	0	0	118.1
494	P	34.5	Very low	33.4	Very low	117 Å²	117	138.9 Å²	138.9	76%	0.76	77%	0.768	S	S	*	*				-125.9	174.1	-100.4	29.4	-5.9	0	0	0	116.2
495	R	32.1	Very low	32.7	Very low	236 Å²	236	135.9 Å²	135.9	89%	0.891	77%	0.767	S	S	*	*			trans	-46.5	137.3	175.3	-77.1	174.8	166.8	150.7	-3.8	114.3
496	N	29.2	Very low	32.2	Very low	141 Å²	141	135.3 Å²	135.3	75%	0.754	77%	0.77	S	S	*	*				-172.2	131.9	119.8	-97.1	-16.4	0	0	0	115.3
497	H	28.8	Very low	31.9	Very low	175 Å²	175	141.3 Å²	141.3	81%	0.81	79%	0.789	S	S	*	*			trans	64.6	159.9	155	-73.4	-68.6	0	0	0	121.5
498	P	35.2	Very low	31.5	Very low	104 Å²	104	142.7 Å²	142.7	68%	0.675	80%	0.796	S	S	*	*			trans	-121.3	165.1	-149	43	-32	0	0	0	116.9
499	M	28.3	Very low	31.1	Very low	173 Å²	173	141.5 Å²	141.5	85%	0.852	80%	0.796	S	S	*	*			trans	56.2	105	152.6	-68.3	-74.4	116.2	0	0	119.3
500	T	26.6	Very low	30.9	Very low	157 Å²	157	141.7 Å²	141.7	96%	0.963	79%	0.789	S	S	*	*			trans	-152.8	171.8	137.4	38.9	0	0	0	0	110.8
501	S	26.3	Very low	30.6	Very low	102 Å²	102	142.7 Å²	142.7	71%	0.713	80%	0.796	S	S	*	*			trans	-106.8	146.2	-160.9	52.6	0	0	0	0	115.9
502	S	28.7	Very low	30.4	Very low	99 Å²	99	139.5 Å²	139.5	69%	0.692	78%	0.782	S	S	*	*			trans	75	156.1	139.6	74.9	0	0	0	0	122.1
503	T	29.2	Very low	30.2	Very low	126 Å²	126	141.2 Å²	141.2	77%	0.773	78%	0.782	S	S	*	*			trans	72.4	121.1	159.1	57.7	0	0	0	0	120.7
504	A	28.5	Very low	30.3	Very low	96 Å²	96	141 Å²	141	79%	0.793	78%	0.78	S	S	*	*			trans	65.7	153.6	139	0	0	0	0	0	118.1
505	S	28.6	Very low	29.9	Very low	99 Å²	99	140.2 Å²	140.2	69%	0.692	77%	0.773	S	S	*	*			cis	-171.7	152.9	-20.4	45.2	0	0	0	0	107.1
506	D	31.6	Very low	29.7	Very low	149 Å²	149	134.7 Å²	134.7	80%	0.797	76%	0.761	S	S	*	*			trans	33	114.9	158.9	-54.2	-17.6	0	0	0	120.3
507	E	31.8	Very low	29.8	Very low	204 Å²	204	134.6 Å²	134.6	95%	0.953	76%	0.756	S	S	*	*				-134.6	127.5	129.1	-72	-165.6	151.1	0	0	108.9
508	L	32.9	Very low	30.1	Very low	156 Å²	156	131.8 Å²	131.8	82%	0.817	75%	0.746	S	S	*	*			trans	-82.6	156.1	169.6	-62.9	158	0	0	0	108.4
509	D	31.8	Very low	29.9	Very low	148 Å²	148	135.5 Å²	135.5	79%	0.791	75%	0.754	S	S	*	*				162.9	165.4	85.3	-104.6	-14.9	0	0	0	105.3
510	D	32.7	Very low	30	Very low	109 Å²	109	131.9 Å²	131.9	58%	0.583	75%	0.746	S	S	*	*			cis	-165.6	161.5	-20	-171.8	5.2	0	0	0	105.7	V512	D510-V512 PolarHBondContact OD1-N 2.6Å
511	N	30.9	Very low	30	Very low	162 Å²	162	133.7 Å²	133.7	87%	0.866	74%	0.743	S	S	*	*			trans	-176.6	71.8	152.6	-98.2	-52.6	0	0	0	111.5
512	V	30.1	Very low	30.4	Very low	99 Å²	99	136 Å²	136	60%	0.6	75%	0.748	S	S	*	*				24.8	120.7	123.4	-175.6	0	0	0	0	118	D510	D510-V512 PolarHBondContact OD1-N 2.6Å
513	L	27.7	Very low	30.4	Very low	147 Å²	147	138.6 Å²	138.6	77%	0.77	75%	0.753	S	S	*	*				-173.5	119.1	116.6	-92.6	172.3	0	0	0	106.3
514	I	30.9	Very low	30.7	Very low	163 Å²	163	137.8 Å²	137.8	84%	0.836	75%	0.753	S	S	*	*				-159.9	135.7	87.4	-88.9	153.9	0	0	0	110.5
515	T	27	Very low	30.7	Very low	100 Å²	100	137 Å²	137	61%	0.613	76%	0.755	S	S	*	*			trans	-64.2	163.1	166.2	44.4	0	0	0	0	111.8
516	N	27.5	Very low	30.9	Very low	119 Å²	119	140.2 Å²	140.2	64%	0.636	76%	0.762	S	S	*	*			cis	-170.4	169.3	0.2	-100.7	11.2	0	0	0	105.4
517	E	31.4	Very low	31	Very low	139 Å²	139	139.5 Å²	139.5	65%	0.65	76%	0.758	S	S	*	*			cis	-166.1	159.8	-1	-114.7	165.4	134.7	0	0	109.1
518	I	33.9	Very low	31	Very low	116 Å²	116	135.5 Å²	135.5	60%	0.595	75%	0.753	S	S	*	*			trans	52.6	126.2	135.5	-60.1	164.5	0	0	0	118.8
519	H	31.5	Very low	31	Very low	182 Å²	182	135.8 Å²	135.8	84%	0.843	75%	0.754	S	S	*	*			cis	-138.5	154.3	49.6	-85.3	-80.2	0	0	0	115.5
520	S	29.7	Very low	31	Very low	97 Å²	97	138.7 Å²	138.7	68%	0.678	75%	0.754	S	S	*	*			trans	-90.4	156.4	170.3	54.3	0	0	0	0	113.4
521	E	27.8	Very low	31.1	Very low	196 Å²	196	139.6 Å²	139.6	92%	0.916	76%	0.755	S	S	*	*			trans	-160.9	161.7	130.4	-115.6	169.2	-159.7	0	0	112.3
522	N	33.3	Very low	31.1	Very low	151 Å²	151	138.3 Å²	138.3	81%	0.807	75%	0.748	S	S	*	*			trans	-101	169.8	-158.5	-72	-19.9	0	0	0	115.3
523	D	30.2	Very low	31	Very low	152 Å²	152	139.2 Å²	139.2	81%	0.813	76%	0.757	S	S	*	*			trans	105.4	168.8	131.4	-132.5	-16.7	0	0	0	119.2
524	S	35.6	Very low	31.3	Very low	110 Å²	110	137.2 Å²	137.2	77%	0.769	76%	0.756	S	S	*	*			trans	-110.6	165.9	-136.7	51.5	0	0	0	0	114.7
525	G	27.4	Very low	31.8	Very low	80 Å²	80	134.5 Å²	134.5	83%	0.825	75%	0.749	S	S	*	*			trans	-176.5	92.9	177	0	0	0	0	0	113
526	I	33.9	Very low	32	Very low	166 Å²	166	140 Å²	140	85%	0.851	76%	0.76	S	S	*	*			trans	-83.9	148.4	166.5	-148.6	169.3	0	0	0	108.9
527	D	33.5	Very low	32.1	Very low	133 Å²	133	140 Å²	140	71%	0.711	76%	0.764	S	S	*	*				147.3	131.4	124	-146.4	-9.1	0	0	0	113.6
528	S	31.4	Very low	32.3	Very low	120 Å²	120	140.7 Å²	140.7	84%	0.839	77%	0.771	S	S	*	*			trans	167.6	91.4	136.6	-78	0	0	0	0	110.9
529	L	32.9	Very low	32.1	Very low	162 Å²	162	142.7 Å²	142.7	85%	0.848	78%	0.783	S	S	*	*			trans	-82.5	169.8	163.3	-91.1	167.3	0	0	0	112
530	R	32.8	Very low	32	Very low	209 Å²	209	137 Å²	137	79%	0.789	77%	0.773	S	S	*	*			trans	112.4	139.1	165.1	-64.2	179.8	-175.7	-97.5	-2.2	113.3
531	Q	33.2	Very low	31.9	Very low	129 Å²	129	140.8 Å²	140.8	60%	0.603	78%	0.78	S	S	*	*			cis	-165.5	152.2	4.3	-120.9	166	-20.7	0	0	112.2
532	N	32.1	Very low	32	Very low	134 Å²	134	137.4 Å²	137.4	72%	0.717	77%	0.768	S	S	*	*			trans	63.7	154.3	143.6	-62.5	-7.5	0	0	0	119.7
533	C	27.1	Very low	31.8	Very low	118 Å²	118	137.9 Å²	137.9	80%	0.797	76%	0.763	S	S	*	*			cis	-155.7	161.9	1.6	-128.2	0	0	0	0	111.7
534	S	33.3	Very low	31.7	Very low	105 Å²	105	139.1 Å²	139.1	73%	0.734	76%	0.763	S	S	*	*			trans	-93.4	158.6	165.5	-167.3	0	0	0	0	110.4
535	P	43.2	Very low	31.2	Very low	106 Å²	106	137.2 Å²	137.2	69%	0.688	76%	0.761	S	S	*	*				-142	-171	87.7	40.9	-24.1	0	0	0	112.2
536	Y	29.8	Very low	31.2	Very low	216 Å²	216	138.4 Å²	138.4	85%	0.847	76%	0.757	S	S	*	*			cis	-146.9	164.6	9.2	-125.3	-64.6	0	0	0	109.9
537	V	29.4	Very low	31	Very low	119 Å²	119	140.2 Å²	140.2	72%	0.721	76%	0.759	S	S	*	*			trans	-144.9	147.4	-176.5	162.7	0	0	0	0	111.4
538	L	35.7	Very low	30.7	Very low	153 Å²	153	137.1 Å²	137.1	80%	0.801	76%	0.758	S	S	*	*			trans	50.3	135.7	160.7	-77.6	161.6	0	0	0	123
539	D	30.6	Very low	30.5	Very low	159 Å²	159	137 Å²	137	85%	0.85	76%	0.757	S	S	*	*				-176.6	160	116.6	-103.6	-20.1	0	0	0	110.1
540	G	28.7	Very low	30.3	Very low	61 Å²	61	140 Å²	140	63%	0.629	76%	0.757	S	S	*	*			cis	179.8	160.3	-4.1	0	0	0	0	0	113.5
541	H	29	Very low	30	Very low	177 Å²	177	139.1 Å²	139.1	82%	0.819	76%	0.762	S	S	*	*			trans	38.6	140.7	154.5	-69.6	-30.9	0	0	0	127.7
542	N	28.9	Very low	29.8	Very low	126 Å²	126	137 Å²	137	67%	0.674	78%	0.775	S	S	*	*				114.9	113	127.2	-90.1	-34.2	0	0	0	123.4
543	K	30	Very low	29.8	Very low	160 Å²	160	135 Å²	135	70%	0.696	78%	0.776	S	S	*	*				58.5	133.7	128.2	-74.2	178.6	-174.4	-178.3	0	125.2
544	H	26.3	Very low	29.9	Very low	178 Å²	178	141 Å²	141	82%	0.824	78%	0.782	S	S	*	*			trans	69.5	146.6	149.7	-55.2	-19.4	0	0	0	117.7
545	G	26	Very low	29.6	Very low	70 Å²	70	145.3 Å²	145.3	72%	0.722	79%	0.788	S	S	*	*			cis	170.4	163.1	-9.5	0	0	0	0	0	113.8
546	S	28.1	Very low	29.1	Very low	105 Å²	105	151.1 Å²	151.1	73%	0.734	80%	0.797	S	S	*	*			trans	59.9	124.7	158.4	-78.6	0	0	0	0	123.8
547	K	28.9	Very low	29.2	Very low	205 Å²	205	149.4 Å²	149.4	89%	0.891	80%	0.796	S	S	*	*			trans	67	139	132.7	-60.7	170.8	-178.7	178.2	0	119.4
548	G	27.5	Very low	29.1	Very low	67 Å²	67	151.1 Å²	151.1	69%	0.691	80%	0.8	S	S	*	*			cis	157.7	-177.2	-5.2	0	0	0	0	0	113.3
549	S	27.3	Very low	28.8	Very low	118 Å²	118	151.9 Å²	151.9	83%	0.825	80%	0.797	S	S	*	*			trans	70	147.8	172.5	-110.6	0	0	0	0	117
550	R	29.2	Very low	28.5	Very low	226 Å²	226	152.4 Å²	152.4	85%	0.853	80%	0.795	S	S	*	*			cis	-152.9	147.6	2.2	-156.1	165.2	173.8	176.7	-4.3	112.6
551	E	25.3	Very low	28.6	Very low	190 Å²	190	160.4 Å²	160.4	89%	0.888	81%	0.806	S	S	*	*			trans	-60.6	163.6	176.8	-64.5	161.3	123.3	0	0	116.4
552	G	29.3	Very low	29	Very low	84 Å²	84	163.1 Å²	163.1	87%	0.866	81%	0.809	S	S	*	*			trans	-178.9	67	168.4	0	0	0	0	0	113.6
553	A	31.8	Very low	29.3	Very low	91 Å²	91	166.5 Å²	166.5	75%	0.752	82%	0.817	S	S	*	*			trans	-117.7	131.1	-175	0	0	0	0	0	114.4
554	R	28.9	Very low	29.3	Very low	245 Å²	245	164.6 Å²	164.6	93%	0.925	82%	0.824	S	S	*	*			trans	-151.4	102.7	155.9	-86.1	-174.8	170.8	-173.9	-3.9	107.1
555	F	28.3	Very low	29.5	Very low	196 Å²	196	163.7 Å²	163.7	86%	0.86	83%	0.825	S	S	*	*				47.5	128.1	89.8	-88.9	-88.6	0	0	0	113.8
556	R	32.8	Very low	29.8	Very low	228 Å²	228	164 Å²	164	86%	0.86	83%	0.828	S	S	*	*			cis	-129.8	171.7	22.8	-63	169.9	167.5	161.3	-5.4	109.9
557	Q	31.3	Very low	30	Very low	179 Å²	179	163.3 Å²	163.3	84%	0.836	83%	0.829	S	S	*	*			cis	-161.7	150.4	32.3	-167.4	163.5	-6.6	0	0	112.6
558	L	27	Very low	30.2	Very low	155 Å²	155	161.6 Å²	161.6	81%	0.812	83%	0.828	S	S	*	*			trans	-7.4	147.4	163.3	-103.3	58	0	0	0	119.1
559	K	28.8	Very low	30.4	Very low	170 Å²	170	163.3 Å²	163.3	74%	0.739	82%	0.819	S	S	*	*			cis	-161	122.3	46.8	-170.7	170.2	178.6	-178.1	0	115.2
560	E	25.9	Very low	30.6	Very low	169 Å²	169	162.4 Å²	162.4	79%	0.79	81%	0.806	S	S	*	*			trans	64.1	136.3	136.6	-144	145.9	-134	0	0	122.1
561	R	30.8	Very low	30.8	Very low	230 Å²	230	155.9 Å²	155.9	87%	0.868	79%	0.794	S	S	*	*			trans	-113.5	136.9	-175.5	-54.6	160.7	96.7	123.5	-3.5	110.2
562	R	35.7	Very low	31.2	Very low	234 Å²	234	149.6 Å²	149.6	88%	0.883	78%	0.775	S	S	*	*				158.2	140.9	117.7	-89.2	174.7	174.1	177.2	-1.3	113.4
563	K	36.7	Very low	31.3	Very low	196 Å²	196	149.8 Å²	149.8	85%	0.852	75%	0.753	S	S	*	*			trans	66	101.6	160.1	-64.3	178.4	178.5	-172.6	0	118.7
564	S	29.5	Very low	31.6	Very low	120 Å²	120	149.8 Å²	149.8	84%	0.839	74%	0.74	S	S	*	*				-133.1	137.6	116.8	56	0	0	0	0	108.6
565	L	30.7	Very low	31.8	Very low	160 Å²	160	144.6 Å²	144.6	84%	0.838	73%	0.726	S	S	*	*			trans	-73.2	136.5	171.4	-99.3	66.6	0	0	0	108.3	A567	L565-A567 PolarHBondContact O-N 3.02Å
566	G	32.3	Very low	31.9	Very low	76 Å²	76	140.8 Å²	140.8	78%	0.784	71%	0.709	S	S	*	*			trans	-73.1	116.9	149.7	0	0	0	0	0	107.6	L568	G566-L568 PolarHBondContact O-N 3.03Å
567	A	32.2	Very low	31.9	Very low	91 Å²	91	134.2 Å²	134.2	75%	0.752	69%	0.69	S	S	*	*			trans	-76.8	104.5	167.5	0	0	0	0	0	107.9	L565 M569	L565-A567 PolarHBondContact O-N 3.02Å; A567-M569 PolarHBondContact O-N 3.21Å
568	L	32.8	Very low	32	Very low	168 Å²	168	134 Å²	134	88%	0.88	68%	0.683	S	S	*	*			trans	-76.1	102.9	163.1	-168.8	90.9	0	0	0	105.7	G566 D570	G566-L568 PolarHBondContact O-N 3.03Å; L568-D570 PolarHBondContact O-N 2.78Å
569	M	30.8	Very low	32.2	Very low	103 Å²	103	132.3 Å²	132.3	51%	0.507	67%	0.674	S	S	.	*			trans	-69.1	132.5	177.2	-74.1	-170.5	72.6	0	0	110.1	A567 E573 L577	A567-M569 PolarHBondContact O-N 3.21Å; M569-E573 WeakPolarHBondContact CA-OE2 3.47Å; M569-E573 WeakPolarHBondContact CB-OE2 3.49Å; M569-E573 HydrophobicContact CE-CB 3.69Å; M569-L577 HydrophobicContact CE-CD1 3.83Å
570	D	31.6	Very low	32.2	Very low	100 Å²	100	128 Å²	128	54%	0.535	66%	0.657	S	S	.	*			trans	-76.9	156.1	-176.2	-165	3.3	0	0	0	111	L568 A572 E573 I574	L568-D570 PolarHBondContact O-N 2.78Å; D570-A572 PolarHBondContact O-N 3.35Å; D570-E573 HydrophobicContact CB-CG 4.34Å; D570-E573 PolarHBondContact N-OE2 2.8Å; D570-E573 WeakPolarHBondContact O-CB 3.19Å; D570-E573 PolarHBondContact O-N 3.1Å; D570-I574 PolarHBondContact O-N 3.44Å
571	S	34.1	Very low	32.6	Very low	88 Å²	88	122.5 Å²	122.5	62%	0.615	64%	0.637	S	S	*	*	H	α-helix	trans	-60	-28.8	174.7	-166.6	0	0	0	0	111.7	I574 E575	S571-I574 PolarHBondContact O-N 2.96Å; S571-E575 PolarHBondContact O-N 3.33Å; S571-E575 VanDerWaalsContact O-N 3.07Å
572	A	33.5	Very low	32.7	Very low	58 Å²	58	115.9 Å²	115.9	48%	0.479	62%	0.619	S	S	.	*	H	α-helix	trans	-68.9	-30.3	172	0	0	0	0	0	112.9	D570 K576	D570-A572 PolarHBondContact O-N 3.35Å; A572-K576 WeakPolarHBondContact O-CB 3.41Å; A572-K576 PolarHBondContact O-N 3.33Å
573	E	31.5	Very low	32.6	Very low	89 Å²	89	111.9 Å²	111.9	42%	0.416	61%	0.605	S	S	.	*	H	α-helix	trans	-77.1	-27.8	175.5	-66.7	179.8	131.9	0	0	112.3	M569 D570 L577	M569-E573 WeakPolarHBondContact CA-OE2 3.47Å; M569-E573 WeakPolarHBondContact CB-OE2 3.49Å; M569-E573 HydrophobicContact CE-CB 3.69Å; D570-E573 HydrophobicContact CB-CG 4.34Å; D570-E573 PolarHBondContact N-OE2 2.8Å; D570-E573 WeakPolarHBondContact O-CB 3.19Å; D570-E573 PolarHBondContact O-N 3.1Å; E573-L577 WeakPolarHBondContact O-CB 3.42Å; E573-L577 PolarHBondContact O-N 2.92Å
574	I	37.8	Very low	32.5	Very low	90 Å²	90	106.1 Å²	106.1	46%	0.462	58%	0.58	S	S	.	*	H	α-helix	trans	-74.5	-39.8	172.8	-63.2	174.5	0	0	0	110.9	D570 S571 K576 L577 Y578	D570-I574 PolarHBondContact O-N 3.44Å; S571-I574 PolarHBondContact O-N 2.96Å; I574-K576 VanDerWaalsContact C-N 3.33Å; I574-L577 WeakPolarHBondContact O-CB 3.29Å; I574-L577 PolarHBondContact O-N 3.38Å; I574-Y578 PolarHBondContact O-N 3.44Å; I574-Y578 VanDerWaalsContact O-N 3.11Å
575	E	33.3	Very low	32.9	Very low	136 Å²	136	102.8 Å²	102.8	64%	0.636	55%	0.549	S	S	*	.	H	α-helix	trans	-66.9	-37.4	172.3	-163.7	162.5	-138.8	0	0	110.9	S571 Y578 L579	S571-E575 PolarHBondContact O-N 3.33Å; S571-E575 VanDerWaalsContact O-N 3.07Å; E575-Y578 PolarHBondContact O-N 3.08Å; E575-L579 PolarHBondContact O-N 2.89Å
576	K	30.2	Very low	33.1	Very low	117 Å²	117	100.8 Å²	100.8	51%	0.509	54%	0.536	S	S	.	.	H	α-helix	trans	-62.2	-39	168.8	-168.9	171.1	-177.2	-78.7	0	112.3	A572 I574 Y578 L579 E580	A572-K576 WeakPolarHBondContact O-CB 3.41Å; A572-K576 PolarHBondContact O-N 3.33Å; I574-K576 VanDerWaalsContact C-N 3.33Å; K576-Y578 VanDerWaalsContact C-N 3.33Å; K576-Y578 PolarHBondContact O-N 3.34Å; K576-L579 PolarHBondContact O-N 3.11Å; K576-E580 HydrophobicContact CG-CG 4.26Å; K576-E580 IonicContact NZ-OE1 2.6Å; K576-E580 PolarHBondContact NZ-OE1 2.83Å; K576-E580 WeakPolarHBondContact O-CA 3.33Å; K576-E580 WeakPolarHBondContact O-CB 3.49Å; K576-E580 WeakPolarHBondContact O-CG 3.44Å; K576-E580 PolarHBondContact O-N 3.46Å
577	L	33.2	Very low	33.1	Very low	89 Å²	89	100.9 Å²	100.9	47%	0.466	52%	0.521	S	S	.	.	H	α-helix	trans	-64.8	-31.6	174.1	-93.8	162.5	0	0	0	113.7	M569 E573 I574 S581	M569-L577 HydrophobicContact CE-CD1 3.83Å; E573-L577 WeakPolarHBondContact O-CB 3.42Å; E573-L577 PolarHBondContact O-N 2.92Å; I574-L577 WeakPolarHBondContact O-CB 3.29Å; I574-L577 PolarHBondContact O-N 3.38Å; L577-S581 PolarHBondContact O-N 3.04Å
578	Y	33.2	Very low	33.3	Very low	175 Å²	175	98.7 Å²	98.7	69%	0.686	50%	0.503	S	S	*	.	H	α-helix	trans	-77.4	-41.7	173.7	-93.9	-93	0	0	0	112.1	I574 E575 K576 E580 S581	I574-Y578 PolarHBondContact O-N 3.44Å; I574-Y578 VanDerWaalsContact O-N 3.11Å; E575-Y578 PolarHBondContact O-N 3.08Å; K576-Y578 VanDerWaalsContact C-N 3.33Å; K576-Y578 PolarHBondContact O-N 3.34Å; Y578-E580 VanDerWaalsContact C-N 3.27Å; Y578-E580 PolarHBondContact O-N 2.75Å; Y578-S581 WeakPolarHBondContact O-CB 3.05Å; Y578-S581 PolarHBondContact O-N 3.21Å; Y578-S581 PolarHBondContact O-OG 3.11Å
579	L	32.8	Very low	33.5	Very low	119 Å²	119	93.2 Å²	93.2	62%	0.623	48%	0.478	S	S	*	.	H	α-helix	trans	-63.7	-33.8	169.5	-94	65.9	0	0	0	111.8	E575 K576 S581 D582 Y583	E575-L579 PolarHBondContact O-N 2.89Å; K576-L579 PolarHBondContact O-N 3.11Å; L579-S581 PolarHBondContact O-N 3.44Å; L579-D582 PolarHBondContact O-N 2.98Å; L579-Y583 PolarHBondContact O-N 3.33Å
580	E	28.2	Very low	33.6	Very low	79 Å²	79	95.6 Å²	95.6	37%	0.369	49%	0.487	S	S	.	.	H	α-helix	trans	-70.1	-12.8	172.4	-78.3	173.2	169.5	0	0	112.9	K576 Y578 Y583 F584	K576-E580 HydrophobicContact CG-CG 4.26Å; K576-E580 IonicContact NZ-OE1 2.6Å; K576-E580 PolarHBondContact NZ-OE1 2.83Å; K576-E580 WeakPolarHBondContact O-CA 3.33Å; K576-E580 WeakPolarHBondContact O-CB 3.49Å; K576-E580 WeakPolarHBondContact O-CG 3.44Å; K576-E580 PolarHBondContact O-N 3.46Å; Y578-E580 VanDerWaalsContact C-N 3.27Å; Y578-E580 PolarHBondContact O-N 2.75Å; E580-Y583 CarbonylContact O-C 3.56Å; E580-F584 VanDerWaalsContact O-CB 3.24Å; E580-F584 WeakPolarHBondContact O-CB 3.36Å; E580-F584 PolarHBondContact O-N 3.01Å
581	S	33.7	Very low	33.7	Very low	55 Å²	55	100.1 Å²	100.1	39%	0.385	51%	0.505	S	S	.	.	H	α-helix	trans	-79.9	-31.2	172	76.8	0	0	0	0	112.7	L577 Y578 L579	L577-S581 PolarHBondContact O-N 3.04Å; Y578-S581 WeakPolarHBondContact O-CB 3.05Å; Y578-S581 PolarHBondContact O-N 3.21Å; Y578-S581 PolarHBondContact O-OG 3.11Å; L579-S581 PolarHBondContact O-N 3.44Å
582	D	32.9	Very low	33.7	Very low	91 Å²	91	100.8 Å²	100.8	49%	0.487	51%	0.506	S	S	.	.	H	α-helix	trans	-73.7	-37.1	165.2	-74	-42.6	0	0	0	110.7	L579 F584 W585 Q586	L579-D582 PolarHBondContact O-N 2.98Å; D582-F584 VanDerWaalsContact C-N 3.31Å; D582-F584 PolarHBondContact O-N 2.71Å; D582-W585 PolarHBondContact O-N 3.38Å; D582-Q586 WeakPolarHBondContact O-CG 3.2Å; D582-Q586 PolarHBondContact O-N 2.97Å; D582-Q586 VanDerWaalsContact O-N 3.13Å
583	Y	33	Very low	33.8	Very low	150 Å²	150	101.8 Å²	101.8	59%	0.588	52%	0.522	S	S	*	.	H	α-helix	trans	-65.2	-31.1	173.5	-126.1	-86.8	0	0	0	112.6	L579 E580 Q586 T587	L579-Y583 PolarHBondContact O-N 3.33Å; E580-Y583 CarbonylContact O-C 3.56Å; Y583-Q586 CarbonylContact O-C 3.55Å; Y583-Q586 PolarHBondContact O-N 3.19Å; Y583-T587 WeakPolarHBondContact O-CB 3.18Å; Y583-T587 PolarHBondContact O-N 3.25Å; Y583-T587 PolarHBondContact O-OG1 3.45Å
584	F	34.8	Very low	34.2	Very low	75 Å²	75	102.8 Å²	102.8	33%	0.329	53%	0.53	S	S	.	.	H	α-helix	trans	-60	-47.5	176.3	174.6	-98.1	0	0	0	111	E580 D582 T587 A588 N690	E580-F584 VanDerWaalsContact O-CB 3.24Å; E580-F584 WeakPolarHBondContact O-CB 3.36Å; E580-F584 PolarHBondContact O-N 3.01Å; D582-F584 VanDerWaalsContact C-N 3.31Å; D582-F584 PolarHBondContact O-N 2.71Å; F584-T587 PolarHBondContact O-N 2.78Å; F584-A588 PolarHBondContact O-N 3.11Å; F584-N690 WeakPolarHBondContact CE2-OD1 3.42Å; F584-N690 WeakPolarHBondContact CZ-OD1 3.24Å
585	W	39.3	Very low	34.6	Very low	49 Å²	49	102.4 Å²	102.4	19%	0.186	54%	0.535	C	S	.	.	H	α-helix	trans	-69.1	-32.5	174.5	-62.1	110.5	0	0	0	112.7	D582 I665 C686 S692	D582-W585 PolarHBondContact O-N 3.38Å; W585-I665 HydrophobicContact CD2-CG2 4.16Å; W585-I665 HydrophobicContact CE3-CG2 4.06Å; W585-I665 HydrophobicContact CH2-CG2 3.7Å; W585-I665 HydrophobicContact CZ2-CG2 3.78Å; W585-I665 HydrophobicContact CZ3-CG2 3.84Å; W585-C686 HydrophobicContact CH2-CB 4.37Å; W585-S692 WeakPolarHBondContact CZ3-OG 3.44Å
586	Q	34.3	Very low	35.7	Very low	119 Å²	119	99.7 Å²	99.7	56%	0.556	53%	0.525	S	S	*	.	H	α-helix	trans	-71.7	-31.6	174	-71.3	176.5	-8.9	0	0	113.6	D582 Y583	D582-Q586 WeakPolarHBondContact O-CG 3.2Å; D582-Q586 PolarHBondContact O-N 2.97Å; D582-Q586 VanDerWaalsContact O-N 3.13Å; Y583-Q586 CarbonylContact O-C 3.55Å; Y583-Q586 PolarHBondContact O-N 3.19Å
587	T	32.5	Very low	37.7	Very low	78 Å²	78	96 Å²	96	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-81.5	-21.9	-176.1	-46.9	0	0	0	0	112.3	Y583 F584 C589 H590	Y583-T587 WeakPolarHBondContact O-CB 3.18Å; Y583-T587 PolarHBondContact O-N 3.25Å; Y583-T587 PolarHBondContact O-OG1 3.45Å; F584-T587 PolarHBondContact O-N 2.78Å; T587-C589 PolarHBondContact O-N 3.42Å; T587-C589 VanDerWaalsContact O-N 3.07Å; T587-H590 PolarHBondContact O-N 3.49Å
588	A	35.4	Very low	39.2	Very low	44 Å²	44	91.9 Å²	91.9	36%	0.364	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-19	171.9	0	0	0	0	0	113.5	F584	F584-A588 PolarHBondContact O-N 3.11Å
589	C	36.5	Very low	41.2	Very low	54 Å²	54	83.7 Å²	83.7	37%	0.365	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	0.1	176	-58.6	0	0	0	0	114.7	T587	T587-C589 PolarHBondContact O-N 3.42Å; T587-C589 VanDerWaalsContact O-N 3.07Å
590	H	33.1	Very low	42.9	Very low	152 Å²	152	79.7 Å²	79.7	70%	0.704	45%	0.448	S	S	*	.	S	Bend	trans	-133.8	59.4	-171.5	-89.6	-73	0	0	0	114.2	T587	T587-H590 PolarHBondContact O-N 3.49Å
591	E	34.7	Very low	45.3	Very low	195 Å²	195	76.7 Å²	76.7	91%	0.911	44%	0.435	S	S	*	.			trans	-163.1	57.4	149.2	-119.3	177.4	-145.4	0	0	115.5
592	T	33.1	Very low	47.6	Very low	102 Å²	102	76.5 Å²	76.5	63%	0.626	43%	0.434	S	S	*	.			trans	-129.9	136.2	147.9	57.1	0	0	0	0	110.4	D594	T592-D594 PolarHBondContact O-N 3.32Å; T592-D594 VanDerWaalsContact O-N 3.09Å
593	G	37.2	Very low	49.9	Very low	79 Å²	79	73.5 Å²	73.5	81%	0.814	42%	0.417	S	S	*	.			trans	-78.4	20.2	-175.8	0	0	0	0	0	114.8	S595	G593-S595 PolarHBondContact O-N 3.4Å; G593-S595 VanDerWaalsContact O-N 3.09Å
594	D	39.4	Very low	52.5	Low	111 Å²	111	66.3 Å²	66.3	59%	0.594	39%	0.389	S	S	*	.			trans	-87.1	86.2	-170.5	-64.9	-47.6	0	0	0	110.8	T592 N596	T592-D594 PolarHBondContact O-N 3.32Å; T592-D594 VanDerWaalsContact O-N 3.09Å; D594-N596 PolarHBondContact O-N 2.91Å
595	S	46.1	Very low	55.1	Low	81 Å²	81	63.1 Å²	63.1	57%	0.566	38%	0.375	S	S	*	.			trans	-67	33.7	178.9	69	0	0	0	0	115.1	K483 G593	K483-S595 PolarHBondContact NZ-O 3.5Å; K483-S595 PolarHBondContact NZ-OG 2.9Å; G593-S595 PolarHBondContact O-N 3.4Å; G593-S595 VanDerWaalsContact O-N 3.09Å
596	N	57.1	Low	57.4	Low	79 Å²	79	63.4 Å²	63.4	42%	0.422	38%	0.382	S	S	.	.			trans	-158.1	68.2	-171	-160.5	73.6	0	0	0	110.2	V434 D594	V434-N596 WeakPolarHBondContact CG2-O 3.39Å; D594-N596 PolarHBondContact O-N 2.91Å
597	T	70.2	Confident	60	Low	40 Å²	40	57.8 Å²	57.8	25%	0.245	36%	0.356	C	S	.	.			trans	-107.2	149.8	163.1	53.5	0	0	0	0	109.7	V434 G600 D605	V434-T597 VanDerWaalsContact CG2-C 3.48Å; V434-T597 VanDerWaalsContact CG2-CA 3.48Å; T597-G600 WeakPolarHBondContact OG1-CA 3.38Å; T597-D605 VanDerWaalsContact CA-OD2 3.24Å; T597-D605 WeakPolarHBondContact CA-OD2 3.22Å; T597-D605 VanDerWaalsContact CB-OD2 3.23Å; T597-D605 WeakPolarHBondContact CB-OD2 3.48Å
598	G	66	Low	62.9	Low	2 Å²	2	54 Å²	54	2%	0.021	33%	0.333	C	S	.	.	S	Bend	trans	-82.8	-39.8	-174.9	0	0	0	0	0	112.7	V434 N475 D605	V434-G598 VanDerWaalsContact CG2-N 3.32Å; N475-G598 VanDerWaalsContact CB-O 3.28Å; N475-G598 WeakPolarHBondContact CB-O 3.4Å; N475-G598 PolarHBondContact ND2-O 3.08Å; G598-D605 PolarHBondContact N-OD1 3.4Å; G598-D605 PolarHBondContact N-OD2 2.96Å
599	T	74.4	Confident	65.5	Low	3 Å²	3	55.3 Å²	55.3	2%	0.018	33%	0.334	C	S	.	.	S	Bend	trans	-98	-10	179.3	61.4	0	0	0	0	113.9	W468 L471 N475 S601 V604 D605 L608 A656	W468-T599 HydrophobicContact CE3-CG2 4.46Å; W468-T599 HydrophobicContact CZ3-CG2 3.68Å; L471-T599 HydrophobicContact CD2-CG2 4.27Å; N475-T599 PolarHBondContact ND2-O 2.86Å; T599-S601 PolarHBondContact OG1-O 3.32Å; T599-V604 HydrophobicContact CG2-CG1 3.96Å; T599-V604 WeakPolarHBondContact OG1-CB 3.39Å; T599-V604 WeakPolarHBondContact OG1-CG1 3.27Å; T599-D605 VanDerWaalsContact CB-OD1 3.27Å; T599-D605 WeakPolarHBondContact CB-OD1 3.41Å; T599-D605 VanDerWaalsContact CG2-OD1 3.25Å; T599-D605 WeakPolarHBondContact CG2-OD1 3.34Å; T599-D605 PolarHBondContact N-OD1 3.32Å; T599-D605 PolarHBondContact OG1-OD1 2.87Å; T599-L608 HydrophobicContact CG2-CD2 4.25Å; T599-A656 HydrophobicContact CG2-CB 4.45Å
600	G	69.3	Low	68.1	Low	36 Å²	36	53.4 Å²	53.4	37%	0.371	32%	0.319	S	S	.	.	S	Bend	trans	93.5	-2	-172.1	0	0	0	0	0	114.1	T597	T597-G600 WeakPolarHBondContact OG1-CA 3.38Å
601	S	79.1	Confident	71	Confident	15 Å²	15	46.1 Å²	46.1	11%	0.105	29%	0.285	C	S	.	.			trans	-140	129.8	170.3	171.2	0	0	0	0	110.6	T599 E603 V604 D605	T599-S601 PolarHBondContact OG1-O 3.32Å; S601-E603 VanDerWaalsContact C-N 3.3Å; S601-E603 PolarHBondContact O-N 3.06Å; S601-E603 PolarHBondContact OG-N 2.96Å; S601-V604 PolarHBondContact O-N 3.24Å; S601-D605 PolarHBondContact O-N 2.84Å
602	S	81.5	Confident	73.8	Confident	52 Å²	52	36.9 Å²	36.9	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-66	-31.4	177.4	50	0	0	0	0	112.6	D605 T606	S602-D605 PolarHBondContact O-N 2.86Å; S602-T606 WeakPolarHBondContact O-CB 3.49Å; S602-T606 PolarHBondContact O-N 2.66Å; S602-T606 PolarHBondContact O-OG1 3.23Å
603	E	81.8	Confident	76.6	Confident	27 Å²	27	34.8 Å²	34.8	13%	0.126	23%	0.227	C	C	.	.	H	α-helix	trans	-70.8	-36.3	177.9	-158.5	-179.4	-155.2	0	0	111.5	S601 T606 C607 S691 S692 L693 I694	S601-E603 VanDerWaalsContact C-N 3.3Å; S601-E603 PolarHBondContact O-N 3.06Å; S601-E603 PolarHBondContact OG-N 2.96Å; E603-T606 PolarHBondContact O-N 2.65Å; E603-C607 PolarHBondContact O-N 2.77Å; E603-C607 PolarHBondContact O-SG 3.48Å; E603-C607 VanDerWaalsContact O-SG 3.36Å; E603-S691 PolarHBondContact OE1-OG 3.25Å; E603-S692 PolarHBondContact OE1-N 2.86Å; E603-S692 WeakPolarHBondContact OE2-CB 3.48Å; E603-L693 VanDerWaalsContact CD-N 3.3Å; E603-L693 HydrophobicContact CG-CB 4.04Å; E603-L693 HydrophobicContact CG-CD1 4.47Å; E603-L693 HydrophobicContact CG-CG 4.47Å; E603-L693 PolarHBondContact OE1-N 2.81Å; E603-I694 HydrophobicContact CG-CG2 3.96Å; E603-I694 PolarHBondContact OE1-N 3.37Å
604	V	87.6	Confident	79.2	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-70.4	-43.8	173.1	175.2	0	0	0	0	110.9	T599 S601 T606 C607 L608 L652 I655 A656 L662 L693	T599-V604 HydrophobicContact CG2-CG1 3.96Å; T599-V604 WeakPolarHBondContact OG1-CB 3.39Å; T599-V604 WeakPolarHBondContact OG1-CG1 3.27Å; S601-V604 PolarHBondContact O-N 3.24Å; V604-T606 VanDerWaalsContact C-N 3.27Å; V604-T606 PolarHBondContact O-N 3.07Å; V604-C607 PolarHBondContact O-N 2.88Å; V604-L608 WeakPolarHBondContact O-CB 3.46Å; V604-L608 PolarHBondContact O-N 2.87Å; V604-L652 HydrophobicContact CG1-CD1 4.09Å; V604-L652 HydrophobicContact CG1-CG 4.4Å; V604-I655 HydrophobicContact CG2-CG2 4.46Å; V604-A656 HydrophobicContact CG1-CB 3.9Å; V604-L662 HydrophobicContact CG2-CD2 3.58Å; V604-L693 HydrophobicContact CG2-CD1 3.93Å
605	D	87.8	Confident	81.7	Confident	8 Å²	8	26.1 Å²	26.1	4%	0.043	16%	0.162	C	C	.	.	H	α-helix	trans	-56.1	-42.3	173.1	-74.8	-3.5	0	0	0	111.4	L437 T597 G598 T599 S601 S602 L608 N609	L437-D605 HydrophobicContact CD1-CB 3.76Å; T597-D605 VanDerWaalsContact CA-OD2 3.24Å; T597-D605 WeakPolarHBondContact CA-OD2 3.22Å; T597-D605 VanDerWaalsContact CB-OD2 3.23Å; T597-D605 WeakPolarHBondContact CB-OD2 3.48Å; G598-D605 PolarHBondContact N-OD1 3.4Å; G598-D605 PolarHBondContact N-OD2 2.96Å; T599-D605 VanDerWaalsContact CB-OD1 3.27Å; T599-D605 WeakPolarHBondContact CB-OD1 3.41Å; T599-D605 VanDerWaalsContact CG2-OD1 3.25Å; T599-D605 WeakPolarHBondContact CG2-OD1 3.34Å; T599-D605 PolarHBondContact N-OD1 3.32Å; T599-D605 PolarHBondContact OG1-OD1 2.87Å; S601-D605 PolarHBondContact O-N 2.84Å; S602-D605 PolarHBondContact O-N 2.86Å; D605-L608 PolarHBondContact O-N 3.02Å; D605-N609 WeakPolarHBondContact O-CB 3.46Å; D605-N609 PolarHBondContact O-N 3.46Å
606	T	87.9	Confident	83.9	Confident	55 Å²	55	22.9 Å²	22.9	34%	0.337	14%	0.138	S	C	.	.	H	α-helix	trans	-68.3	-42.6	178.7	-53.4	0	0	0	0	112	S602 E603 V604 N609 Y610 I694	S602-T606 WeakPolarHBondContact O-CB 3.49Å; S602-T606 PolarHBondContact O-N 2.66Å; S602-T606 PolarHBondContact O-OG1 3.23Å; E603-T606 PolarHBondContact O-N 2.65Å; V604-T606 VanDerWaalsContact C-N 3.27Å; V604-T606 PolarHBondContact O-N 3.07Å; T606-N609 PolarHBondContact O-N 2.83Å; T606-Y610 WeakPolarHBondContact O-CB 3.46Å; T606-Y610 PolarHBondContact O-N 3.33Å; T606-I694 HydrophobicContact CG2-CD1 3.58Å
607	C	90.4	Very high	85.5	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-42.5	172.5	-72.9	0	0	0	0	111.9	E603 V604 Y610 H611 L652 L693 T743	E603-C607 PolarHBondContact O-N 2.77Å; E603-C607 PolarHBondContact O-SG 3.48Å; E603-C607 VanDerWaalsContact O-SG 3.36Å; V604-C607 PolarHBondContact O-N 2.88Å; C607-Y610 WeakPolarHBondContact O-CB 3.35Å; C607-Y610 PolarHBondContact O-N 3.48Å; C607-H611 PolarHBondContact O-CD2 3.32Å; C607-H611 PolarHBondContact O-N 3.16Å; C607-H611 VanDerWaalsContact O-N 3.08Å; C607-L652 HydrophobicContact CB-CD1 4.06Å; C607-L652 HydrophobicContact CB-CD2 4Å; C607-L693 VanDerWaalsContact SG-CB 3.56Å; C607-T743 HydrophobicContact CB-CG2 4.16Å
608	L	92.3	Very high	86.5	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.6	-46.5	178.8	-179.8	59.6	0	0	0	110.7	L437 W468 I472 T599 V604 D605 Y610 H611 L612 L649 L652	L437-L608 HydrophobicContact CD1-CD2 4.37Å; L437-L608 HydrophobicContact CD2-CB 4.28Å; L437-L608 HydrophobicContact CD2-CD2 4.18Å; L437-L608 HydrophobicContact CD2-CG 4.03Å; W468-L608 HydrophobicContact CD2-CD1 3.93Å; W468-L608 HydrophobicContact CD2-CD2 4.09Å; W468-L608 HydrophobicContact CE3-CD1 4.28Å; W468-L608 HydrophobicContact CE3-CD2 3.65Å; W468-L608 HydrophobicContact CG-CD1 4.4Å; W468-L608 HydrophobicContact CH2-CD1 4.25Å; W468-L608 HydrophobicContact CH2-CD2 4.23Å; W468-L608 HydrophobicContact CZ2-CD1 3.89Å; W468-L608 HydrophobicContact CZ3-CD1 4.45Å; W468-L608 HydrophobicContact CZ3-CD2 3.76Å; I472-L608 HydrophobicContact CD1-CD2 3.95Å; T599-L608 HydrophobicContact CG2-CD2 4.25Å; V604-L608 WeakPolarHBondContact O-CB 3.46Å; V604-L608 PolarHBondContact O-N 2.87Å; D605-L608 PolarHBondContact O-N 3.02Å; L608-Y610 VanDerWaalsContact C-N 3.3Å; L608-Y610 PolarHBondContact O-N 2.9Å; L608-H611 PolarHBondContact O-N 3.49Å; L608-L612 HydrophobicContact CD1-CD1 3.91Å; L608-L612 HydrophobicContact CD1-CD2 4.47Å; L608-L612 HydrophobicContact CD1-CG 3.94Å; L608-L612 HydrophobicContact CD2-CD1 4.46Å; L608-L612 HydrophobicContact CG-CD1 3.75Å; L608-L612 HydrophobicContact CG-CG 4.24Å; L608-L612 WeakPolarHBondContact O-CB 3.37Å; L608-L612 VanDerWaalsContact O-CG 3.24Å; L608-L612 WeakPolarHBondContact O-CG 3.18Å; L608-L612 PolarHBondContact O-N 2.9Å; L608-L649 HydrophobicContact CD1-CD2 3.56Å; L608-L652 HydrophobicContact CB-CD2 3.92Å; L608-L652 HydrophobicContact CD1-CD2 4.29Å
609	N	90.9	Very high	87.8	Confident	70 Å²	70	20.8 Å²	20.8	37%	0.374	12%	0.121	S	C	.	.	H	α-helix	trans	-57.8	-43.4	175.5	-169.1	31.5	0	0	0	111.7	L437 D605 T606 H611 N613	L437-N609 HydrophobicContact CD2-CB 3.77Å; D605-N609 WeakPolarHBondContact O-CB 3.46Å; D605-N609 PolarHBondContact O-N 3.46Å; T606-N609 PolarHBondContact O-N 2.83Å; N609-H611 PolarHBondContact O-N 2.66Å; N609-N613 WeakPolarHBondContact O-CB 3.24Å; N609-N613 PolarHBondContact O-N 3.1Å; N609-N613 PolarHBondContact O-ND2 3.32Å; N609-N613 PolarHBondContact OD1-ND2 3.36Å
610	Y	91.2	Very high	88.6	Confident	14 Å²	14	24.5 Å²	24.5	6%	0.055	14%	0.138	C	C	.	.	H	α-helix	trans	-57.6	-49.3	177.7	-175.1	-85.1	0	0	0	112.4	T606 C607 L608 R614 Q736 H741 V742 T743 H746	T606-Y610 WeakPolarHBondContact O-CB 3.46Å; T606-Y610 PolarHBondContact O-N 3.33Å; C607-Y610 WeakPolarHBondContact O-CB 3.35Å; C607-Y610 PolarHBondContact O-N 3.48Å; L608-Y610 VanDerWaalsContact C-N 3.3Å; L608-Y610 PolarHBondContact O-N 2.9Å; Y610-R614 WeakPolarHBondContact O-CG 3.37Å; Y610-R614 PolarHBondContact O-N 3.35Å; Y610-Q736 VanDerWaalsContact CD2-NE2 3.34Å; Y610-Q736 VanDerWaalsContact CE1-OE1 3.32Å; Y610-Q736 PolarHBondContact OH-OE1 2.72Å; Y610-H741 WeakPolarHBondContact CE2-O 3.44Å; Y610-V742 WeakPolarHBondContact OH-CA 3.43Å; Y610-T743 HydrophobicContact CD1-CG2 3.52Å; Y610-T743 HydrophobicContact CD2-CG2 4.07Å; Y610-T743 HydrophobicContact CE1-CG2 3.92Å; Y610-T743 HydrophobicContact CE2-CG2 4.42Å; Y610-T743 HydrophobicContact CG-CG2 3.59Å; Y610-H746 HydrophobicContact CE1-CB 3.94Å; Y610-H746 AromaticContact CE1-ND1 3.61Å; Y610-H746 AromaticContact CZ-ND1 3.68Å; Y610-H746 PolarHBondContact OH-ND1 3.24Å
611	H	93	Very high	89.5	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-75.1	-36.8	-178	-71.7	-68.2	0	0	0	112.8	C607 L608 N609 N613 R614 I615 E645 T648 L649 T743	C607-H611 PolarHBondContact O-CD2 3.32Å; C607-H611 PolarHBondContact O-N 3.16Å; C607-H611 VanDerWaalsContact O-N 3.08Å; L608-H611 PolarHBondContact O-N 3.49Å; N609-H611 PolarHBondContact O-N 2.66Å; H611-N613 PolarHBondContact O-N 3.07Å; H611-R614 WeakPolarHBondContact O-CB 3.41Å; H611-R614 PolarHBondContact O-N 2.96Å; H611-I615 WeakPolarHBondContact O-CG1 3.29Å; H611-I615 PolarHBondContact O-N 3.38Å; H611-E645 IonicContact CE1-OE2 3.35Å; H611-E645 IonicContact CG-OE2 2.71Å; H611-E645 IonicContact ND1-OE2 3.14Å; H611-E645 PolarHBondContact ND1-OE2 3.41Å; H611-T648 VanDerWaalsContact CE1-CG2 3.49Å; H611-T648 WeakPolarHBondContact CE1-CG2 3.36Å; H611-L649 HydrophobicContact CB-CD2 3.88Å; H611-T743 PolarHBondContact CE1-OG1 3.22Å; H611-T743 VanDerWaalsContact CE1-OG1 3.3Å; H611-T743 PolarHBondContact NE2-OG1 2.87Å
612	L	93.6	Very high	90	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.4	-41.5	172.6	-71.1	172.6	0	0	0	112.3	L437 L440 I441 I444 L465 L608 R614 I615 L616 L649	L437-L612 HydrophobicContact CD2-CD1 4.09Å; L440-L612 HydrophobicContact CD2-CB 3.44Å; L440-L612 VanDerWaalsContact CD2-CB 3.44Å; L440-L612 HydrophobicContact CD2-CD1 4.17Å; L440-L612 HydrophobicContact CD2-CG 4.47Å; L440-L612 HydrophobicContact CG-CB 3.95Å; L440-L612 HydrophobicContact CG-CD1 4.47Å; I441-L612 HydrophobicContact CD1-CD1 4.16Å; I441-L612 HydrophobicContact CG1-CD1 3.7Å; I441-L612 HydrophobicContact CG1-CD2 4.03Å; I444-L612 HydrophobicContact CD1-CB 3.91Å; I444-L612 HydrophobicContact CD1-CD2 3.89Å; I444-L612 HydrophobicContact CD1-CG 4.47Å; I444-L612 VanDerWaalsContact CD1-O 3.3Å; I444-L612 WeakPolarHBondContact CD1-O 3.34Å; L465-L612 HydrophobicContact CD2-CD2 3.54Å; L608-L612 HydrophobicContact CD1-CD1 3.91Å; L608-L612 HydrophobicContact CD1-CD2 4.47Å; L608-L612 HydrophobicContact CD1-CG 3.94Å; L608-L612 HydrophobicContact CD2-CD1 4.46Å; L608-L612 HydrophobicContact CG-CD1 3.75Å; L608-L612 HydrophobicContact CG-CG 4.24Å; L608-L612 WeakPolarHBondContact O-CB 3.37Å; L608-L612 VanDerWaalsContact O-CG 3.24Å; L608-L612 WeakPolarHBondContact O-CG 3.18Å; L608-L612 PolarHBondContact O-N 2.9Å; L612-R614 VanDerWaalsContact C-N 3.29Å; L612-R614 PolarHBondContact O-N 2.81Å; L612-I615 PolarHBondContact O-N 3.18Å; L612-L616 PolarHBondContact O-N 2.72Å; L612-L649 HydrophobicContact CD2-CD1 4.05Å
613	N	91.4	Very high	90.3	Very high	59 Å²	59	25.7 Å²	25.7	32%	0.316	13%	0.132	S	C	.	.	H	α-helix	trans	-63.2	-34.3	175	-86.9	-89.9	0	0	0	112.6	L440 N609 H611 K617	L440-N613 WeakPolarHBondContact CD2-ND2 3.48Å; N609-N613 WeakPolarHBondContact O-CB 3.24Å; N609-N613 PolarHBondContact O-N 3.1Å; N609-N613 PolarHBondContact O-ND2 3.32Å; N609-N613 PolarHBondContact OD1-ND2 3.36Å; H611-N613 PolarHBondContact O-N 3.07Å; N613-K617 WeakPolarHBondContact O-CG 3.46Å; N613-K617 PolarHBondContact O-N 2.9Å
614	R	91.3	Very high	90.6	Very high	8 Å²	8	28.8 Å²	28.8	3%	0.03	16%	0.156	C	C	.	.	H	α-helix	trans	-66.8	-45.7	174.1	-67.4	171.5	64.5	61.1	11.7	111	Y610 H611 L612 K617 C618 E645 D733 V735 Q736 H746	Y610-R614 WeakPolarHBondContact O-CG 3.37Å; Y610-R614 PolarHBondContact O-N 3.35Å; H611-R614 WeakPolarHBondContact O-CB 3.41Å; H611-R614 PolarHBondContact O-N 2.96Å; L612-R614 VanDerWaalsContact C-N 3.29Å; L612-R614 PolarHBondContact O-N 2.81Å; R614-K617 PolarHBondContact O-N 3.48Å; R614-C618 PolarHBondContact O-N 3.44Å; R614-C618 PolarHBondContact O-SG 3.25Å; R614-C618 VanDerWaalsContact O-SG 3.35Å; R614-E645 HydrophobicContact CB-CG 4.3Å; R614-E645 IonicContact CZ-OE1 2.85Å; R614-E645 VanDerWaalsContact NE-CD 3.34Å; R614-E645 IonicContact NE-OE1 3.21Å; R614-E645 PolarHBondContact NE-OE1 2.99Å; R614-E645 IonicContact NE-OE2 3.33Å; R614-E645 IonicContact NH2-OE1 2.88Å; R614-E645 PolarHBondContact NH2-OE1 3.41Å; R614-E645 VanDerWaalsContact NH2-OE1 3.14Å; R614-D733 IonicContact CZ-OD2 3.47Å; R614-D733 IonicContact NH1-OD1 2.86Å; R614-D733 PolarHBondContact NH1-OD1 2.93Å; R614-D733 IonicContact NH1-OD2 2.77Å; R614-D733 PolarHBondContact NH1-OD2 2.85Å; R614-D733 IonicContact NH2-OD2 3.38Å; R614-D733 PolarHBondContact NH2-OD2 2.93Å; R614-V735 HydrophobicContact CB-CG1 3.78Å; R614-V735 HydrophobicContact CG-CG1 4.02Å; R614-V735 WeakPolarHBondContact O-CG1 3.22Å; R614-Q736 VanDerWaalsContact CD-OE1 3.24Å; R614-H746 PolarHBondContact NH1-CE1 2.97Å
615	I	93.4	Very high	90.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.5	-48.8	175.8	-71.5	159.4	0	0	0	111.5	I444 L461 H611 L612 K617 C618 L619 L642 E645 L649	I444-I615 HydrophobicContact CD1-CG2 4.4Å; I444-I615 HydrophobicContact CG2-CG2 3.68Å; L461-I615 HydrophobicContact CD1-CD1 3.94Å; L461-I615 HydrophobicContact CD1-CG2 4.19Å; L461-I615 HydrophobicContact CD2-CG2 3.83Å; H611-I615 WeakPolarHBondContact O-CG1 3.29Å; H611-I615 PolarHBondContact O-N 3.38Å; L612-I615 PolarHBondContact O-N 3.18Å; I615-K617 VanDerWaalsContact C-N 3.35Å; I615-K617 PolarHBondContact O-N 2.9Å; I615-C618 PolarHBondContact O-N 3.02Å; I615-L619 HydrophobicContact CG2-CD1 4.02Å; I615-L619 WeakPolarHBondContact O-CG 3.33Å; I615-L619 PolarHBondContact O-N 2.85Å; I615-L642 HydrophobicContact CB-CD2 4.23Å; I615-L642 HydrophobicContact CG1-CD2 4.24Å; I615-L642 HydrophobicContact CG2-CD2 3.87Å; I615-E645 HydrophobicContact CD1-CB 3.88Å; I615-E645 HydrophobicContact CG1-CB 3.5Å; I615-E645 HydrophobicContact CG1-CG 4.06Å; I615-L649 HydrophobicContact CD1-CD1 3.34Å; I615-L649 HydrophobicContact CD1-CG 3.85Å
616	L	92.4	Very high	90.1	Very high	13 Å²	13	35 Å²	35	7%	0.068	19%	0.185	C	C	.	.	H	α-helix	trans	-54.8	-51.4	179.1	178.9	60.2	0	0	0	110.8	L440 E443 I444 K447 L612 C618 L619 E620	L440-L616 HydrophobicContact CD1-CB 4.45Å; L440-L616 HydrophobicContact CD1-CD2 3.7Å; E443-L616 HydrophobicContact CG-CD1 4.08Å; I444-L616 HydrophobicContact CD1-CB 4.13Å; I444-L616 HydrophobicContact CG1-CB 3.89Å; I444-L616 HydrophobicContact CG1-CD1 4.02Å; I444-L616 HydrophobicContact CG1-CG 4.47Å; K447-L616 HydrophobicContact CD-CD1 3.79Å; L612-L616 PolarHBondContact O-N 2.72Å; L616-C618 PolarHBondContact O-N 3.38Å; L616-L619 CarbonylContact O-C 3.5Å; L616-L619 WeakPolarHBondContact O-CB 3.3Å; L616-L619 PolarHBondContact O-N 2.96Å; L616-L619 VanDerWaalsContact O-N 3.1Å; L616-E620 HydrophobicContact CD1-CG 4.39Å; L616-E620 HydrophobicContact CG-CG 4.46Å; L616-E620 WeakPolarHBondContact O-CG 3.35Å; L616-E620 PolarHBondContact O-N 3.16Å
617	K	91	Very high	89.3	Confident	76 Å²	76	36.8 Å²	36.8	33%	0.33	20%	0.197	S	C	.	.	H	α-helix	trans	-67.5	-31.9	-179.2	-72	177.1	-178.9	-170.7	0	114.1	N613 R614 I615 S621 V735	N613-K617 WeakPolarHBondContact O-CG 3.46Å; N613-K617 PolarHBondContact O-N 2.9Å; R614-K617 PolarHBondContact O-N 3.48Å; I615-K617 VanDerWaalsContact C-N 3.35Å; I615-K617 PolarHBondContact O-N 2.9Å; K617-S621 VanDerWaalsContact O-CB 3.32Å; K617-S621 WeakPolarHBondContact O-CB 3.16Å; K617-S621 PolarHBondContact O-N 3.3Å; K617-S621 PolarHBondContact O-OG 2.93Å; K617-V735 HydrophobicContact CB-CG1 4Å; K617-V735 HydrophobicContact CD-CG1 4.49Å; K617-V735 WeakPolarHBondContact CD-O 3.34Å; K617-V735 PolarHBondContact NZ-O 3.22Å
618	C	91.1	Very high	88.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.4	-42.1	169.5	-73.4	0	0	0	0	111.2	R614 I615 L616 S621 L622 M638 L642	R614-C618 PolarHBondContact O-N 3.44Å; R614-C618 PolarHBondContact O-SG 3.25Å; R614-C618 VanDerWaalsContact O-SG 3.35Å; I615-C618 PolarHBondContact O-N 3.02Å; L616-C618 PolarHBondContact O-N 3.38Å; C618-S621 PolarHBondContact O-N 3.43Å; C618-L622 WeakPolarHBondContact O-CG 3.5Å; C618-L622 PolarHBondContact O-N 3.32Å; C618-M638 HydrophobicContact CB-SD 4.47Å; C618-L642 HydrophobicContact CB-CD1 4.01Å; C618-L642 HydrophobicContact CB-CD2 3.64Å; C618-L642 HydrophobicContact CB-CG 3.61Å
619	L	91.9	Very high	88.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-68.4	-39.7	176.4	-67	169	0	0	0	112.2	I444 K447 A448 M451 L458 I615 L616 S621 L622 E623 L642	I444-L619 HydrophobicContact CG2-CD1 3.78Å; K447-L619 HydrophobicContact CB-CD1 4.28Å; A448-L619 HydrophobicContact CB-CD1 4.07Å; M451-L619 HydrophobicContact SD-CD2 4.2Å; L458-L619 HydrophobicContact CD1-CD2 4.35Å; L458-L619 HydrophobicContact CD2-CD2 4.5Å; I615-L619 HydrophobicContact CG2-CD1 4.02Å; I615-L619 WeakPolarHBondContact O-CG 3.33Å; I615-L619 PolarHBondContact O-N 2.85Å; L616-L619 CarbonylContact O-C 3.5Å; L616-L619 WeakPolarHBondContact O-CB 3.3Å; L616-L619 PolarHBondContact O-N 2.96Å; L616-L619 VanDerWaalsContact O-N 3.1Å; L619-S621 VanDerWaalsContact C-N 3.33Å; L619-L622 PolarHBondContact O-N 3.06Å; L619-E623 VanDerWaalsContact O-CB 3.29Å; L619-E623 WeakPolarHBondContact O-CB 3.25Å; L619-E623 PolarHBondContact O-N 2.89Å; L619-L642 HydrophobicContact CD2-CD1 3.85Å; L619-L642 HydrophobicContact CD2-CD2 4.41Å; L619-L642 HydrophobicContact CG-CD1 4.33Å; L619-L642 HydrophobicContact CG-CD2 4.21Å
620	E	91.3	Very high	87.9	Confident	82 Å²	82	41.5 Å²	41.5	38%	0.383	22%	0.224	S	C	.	.	H	α-helix	trans	-61.7	-41	172	-69.5	175.3	144.9	0	0	111.8	L616 E623 S624	L616-E620 HydrophobicContact CD1-CG 4.39Å; L616-E620 HydrophobicContact CG-CG 4.46Å; L616-E620 WeakPolarHBondContact O-CG 3.35Å; L616-E620 PolarHBondContact O-N 3.16Å; E620-E623 PolarHBondContact O-N 2.68Å; E620-S624 PolarHBondContact O-N 2.79Å
621	S	89.4	Confident	87.5	Confident	44 Å²	44	41.4 Å²	41.4	31%	0.308	22%	0.224	S	C	.	.	H	α-helix	trans	-63	-44.7	175.7	-59.4	0	0	0	0	111.1	K617 C618 L619 S624 I625	K617-S621 VanDerWaalsContact O-CB 3.32Å; K617-S621 WeakPolarHBondContact O-CB 3.16Å; K617-S621 PolarHBondContact O-N 3.3Å; K617-S621 PolarHBondContact O-OG 2.93Å; C618-S621 PolarHBondContact O-N 3.43Å; L619-S621 VanDerWaalsContact C-N 3.33Å; S621-S624 PolarHBondContact O-N 2.84Å; S621-S624 PolarHBondContact O-OG 2.75Å; S621-I625 WeakPolarHBondContact O-CG1 3.24Å
622	L	88.8	Confident	86.7	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-39.2	174.1	-72.7	171.5	0	0	0	112.7	M451 C618 L619 S624 I625 T635 M638 L639 L642	M451-L622 HydrophobicContact CE-CB 3.46Å; M451-L622 VanDerWaalsContact CE-CB 3.46Å; M451-L622 HydrophobicContact SD-CB 4.42Å; C618-L622 WeakPolarHBondContact O-CG 3.5Å; C618-L622 PolarHBondContact O-N 3.32Å; L619-L622 PolarHBondContact O-N 3.06Å; L622-S624 PolarHBondContact O-N 2.84Å; L622-I625 HydrophobicContact CD2-CD1 4.33Å; L622-I625 PolarHBondContact O-N 2.74Å; L622-T635 HydrophobicContact CD2-CG2 4Å; L622-M638 HydrophobicContact CD1-CB 4.14Å; L622-M638 HydrophobicContact CD2-CB 3.71Å; L622-M638 HydrophobicContact CD2-CG 4.42Å; L622-M638 HydrophobicContact CG-CB 3.63Å; L622-M638 HydrophobicContact CG-CG 4.31Å; L622-L639 HydrophobicContact CD1-CD2 3.91Å; L622-L639 HydrophobicContact CD1-CG 4.33Å; L622-L639 HydrophobicContact CD2-CG 4.41Å; L622-L642 HydrophobicContact CD1-CD1 3.54Å
623	E	89	Confident	86.1	Confident	79 Å²	79	44.2 Å²	44.2	37%	0.369	24%	0.237	S	C	.	.	H	α-helix	trans	-67.5	-19.8	177.6	-177.4	161.8	-132	0	0	112.4	K447 K450 L619 E620	K447-E623 IonicContact NZ-OE2 3.06Å; K447-E623 PolarHBondContact NZ-OE2 2.73Å; K450-E623 IonicContact NZ-OE1 3.3Å; K450-E623 PolarHBondContact NZ-OE1 2.81Å; L619-E623 VanDerWaalsContact O-CB 3.29Å; L619-E623 WeakPolarHBondContact O-CB 3.25Å; L619-E623 PolarHBondContact O-N 2.89Å; E620-E623 PolarHBondContact O-N 2.68Å
624	S	87.7	Confident	85.6	Confident	91 Å²	91	44.8 Å²	44.8	64%	0.636	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-13.3	174	80.4	0	0	0	0	114.8	E620 S621 L622	E620-S624 PolarHBondContact O-N 2.79Å; S621-S624 PolarHBondContact O-N 2.84Å; S621-S624 PolarHBondContact O-OG 2.75Å; L622-S624 PolarHBondContact O-N 2.84Å
625	I	85.6	Confident	85.2	Confident	33 Å²	33	44.9 Å²	44.9	17%	0.169	24%	0.238	C	C	.	.	S	Bend	trans	-83.4	124.9	-178.8	-61.7	173.3	0	0	0	109.1	S621 L622 C629 K634 T635	S621-I625 WeakPolarHBondContact O-CG1 3.24Å; L622-I625 HydrophobicContact CD2-CD1 4.33Å; L622-I625 PolarHBondContact O-N 2.74Å; I625-C629 HydrophobicContact CG2-CB 4.01Å; I625-K634 HydrophobicContact CD1-CB 3.93Å; I625-T635 WeakPolarHBondContact CD1-OG1 3.42Å
626	E	78.8	Confident	84.5	Confident	105 Å²	105	46.2 Å²	46.2	49%	0.491	25%	0.247	S	C	.	.			trans	-63.7	152.4	-177	-66.3	-167.4	176.2	0	0	113.2	R353 D628 C629 H874	R353-E626 PolarHBondContact NH2-O 3.3Å; E626-D628 VanDerWaalsContact C-N 3.28Å; E626-D628 PolarHBondContact O-N 2.93Å; E626-C629 WeakPolarHBondContact O-CB 3.25Å; E626-C629 PolarHBondContact O-N 3.18Å; E626-H874 IonicContact OE2-CD2 3.1Å; E626-H874 IonicContact OE2-NE2 2.65Å
627	T	70.1	Confident	83.8	Confident	94 Å²	94	47.7 Å²	47.7	58%	0.577	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-26.7	-173.4	48.7	0	0	0	0	113.3	R353	R353-T627 VanDerWaalsContact CZ-O 3.23Å; R353-T627 PolarHBondContact NH1-O 3.22Å; R353-T627 PolarHBondContact NH2-O 3.05Å
628	D	76.6	Confident	83.5	Confident	136 Å²	136	44.5 Å²	44.5	73%	0.727	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.5	13.1	-178.3	-60	-26.7	0	0	0	113.4	E626 P630	E626-D628 VanDerWaalsContact C-N 3.28Å; E626-D628 PolarHBondContact O-N 2.93Å; D628-P630 WeakPolarHBondContact O-CD 3.35Å
629	C	83.6	Confident	83.1	Confident	20 Å²	20	45.8 Å²	45.8	14%	0.135	25%	0.247	C	C	.	.			trans	-62.7	119.4	-179.3	-172.8	0	0	0	0	112.2	I625 E626 L631 Y870	I625-C629 HydrophobicContact CG2-CB 4.01Å; E626-C629 WeakPolarHBondContact O-CB 3.25Å; E626-C629 PolarHBondContact O-N 3.18Å; C629-L631 VanDerWaalsContact C-N 3.33Å; C629-L631 PolarHBondContact SG-N 3.43Å; C629-L631 PolarHBondContact SG-O 2.92Å; C629-Y870 HydrophobicContact CB-CE1 4.38Å; C629-Y870 HydrophobicContact CB-CE2 4.21Å; C629-Y870 VanDerWaalsContact SG-CE1 3.52Å
630	P	84.4	Confident	82.6	Confident	12 Å²	12	49 Å²	49	8%	0.078	26%	0.261	C	S	.	.			trans	-86.9	-2.7	176	37.4	-36.4	0	0	0	113.3	D628 K866 Q867 Y870	D628-P630 WeakPolarHBondContact O-CD 3.35Å; P630-K866 HydrophobicContact CB-CD 3.84Å; P630-K866 HydrophobicContact CB-CG 3.86Å; P630-K866 HydrophobicContact CG-CG 4.27Å; P630-Q867 HydrophobicContact CB-CG 4.31Å; P630-Q867 HydrophobicContact CG-CG 4.46Å; P630-Q867 PolarHBondContact O-NE2 3.17Å; P630-Y870 VanDerWaalsContact CD-CD2 3.46Å; P630-Y870 VanDerWaalsContact CG-CB 3.48Å; P630-Y870 HydrophobicContact CG-CD1 4.36Å; P630-Y870 HydrophobicContact CG-CD2 4.32Å; P630-Y870 HydrophobicContact CG-CG 3.82Å
631	L	82.3	Confident	82.3	Confident	13 Å²	13	47 Å²	47	7%	0.068	25%	0.25	C	S	.	.			trans	-89.4	126.6	171.2	-55.4	175.8	0	0	0	107.8	C629 L841 E842 Q867 Y870 V871	C629-L631 VanDerWaalsContact C-N 3.33Å; C629-L631 PolarHBondContact SG-N 3.43Å; C629-L631 PolarHBondContact SG-O 2.92Å; L631-L841 HydrophobicContact CD1-CB 4.29Å; L631-L841 HydrophobicContact CD2-CB 4.4Å; L631-L841 HydrophobicContact CD2-CD1 4.2Å; L631-E842 HydrophobicContact CB-CG 3.75Å; L631-E842 WeakPolarHBondContact CB-OE2 3.46Å; L631-E842 HydrophobicContact CD1-CG 3.83Å; L631-E842 HydrophobicContact CG-CG 4.34Å; L631-Q867 HydrophobicContact CD2-CB 3.79Å; L631-Q867 HydrophobicContact CD2-CG 3.74Å; L631-Y870 HydrophobicContact CD1-CD1 4.07Å; L631-Y870 HydrophobicContact CD1-CE1 4.34Å; L631-Y870 HydrophobicContact CG-CD1 4.27Å; L631-V871 HydrophobicContact CD1-CG2 3.9Å
632	V	78.1	Confident	82.3	Confident	18 Å²	18	45 Å²	45	11%	0.109	24%	0.236	C	C	.	.			trans	-123.4	-3.7	-163.7	-75.7	0	0	0	0	112.9	P342 M347 L352 T635 S636 E842	P342-V632 HydrophobicContact CB-CG2 4.43Å; P342-V632 HydrophobicContact CG-CB 4.22Å; P342-V632 HydrophobicContact CG-CG2 3.33Å; M347-V632 HydrophobicContact CG-CG2 3.83Å; M347-V632 HydrophobicContact SD-CG2 4.45Å; L352-V632 HydrophobicContact CD1-CB 4.37Å; L352-V632 HydrophobicContact CD1-CG1 4.03Å; V632-T635 PolarHBondContact O-N 3.43Å; V632-S636 WeakPolarHBondContact O-CB 3.42Å; V632-S636 PolarHBondContact O-N 3.19Å; V632-S636 PolarHBondContact O-OG 3.15Å; V632-S636 VanDerWaalsContact O-OG 3.06Å; V632-E842 PolarHBondContact N-OE2 2.87Å
633	Y	79.8	Confident	82.2	Confident	41 Å²	41	50.9 Å²	50.9	16%	0.161	26%	0.263	C	S	.	.	H	α-helix	trans	-68.4	-48	-177.5	171.6	-96.1	0	0	0	111.5	I341 T635 S636 E637 L797 C839 E842	I341-Y633 HydrophobicContact CG1-CD2 4.3Å; I341-Y633 HydrophobicContact CG1-CE2 4.41Å; Y633-T635 VanDerWaalsContact C-N 3.3Å; Y633-T635 PolarHBondContact O-N 3.03Å; Y633-S636 PolarHBondContact O-N 3.1Å; Y633-E637 WeakPolarHBondContact CE1-OE2 3.32Å; Y633-E637 VanDerWaalsContact O-CB 3.25Å; Y633-E637 WeakPolarHBondContact O-CB 3.32Å; Y633-E637 PolarHBondContact O-N 3.2Å; Y633-L797 HydrophobicContact CE2-CD2 4.43Å; Y633-C839 HydrophobicContact CD1-CB 4.1Å; Y633-C839 HydrophobicContact CD2-CB 3.63Å; Y633-C839 WeakPolarHBondContact CD2-SG 3.32Å; Y633-C839 HydrophobicContact CE2-CB 4.16Å; Y633-C839 HydrophobicContact CG-CB 3.59Å; Y633-E842 WeakPolarHBondContact CA-OE2 3.43Å; Y633-E842 VanDerWaalsContact CB-OE2 3.25Å; Y633-E842 WeakPolarHBondContact CB-OE2 3.46Å; Y633-E842 PolarHBondContact N-OE2 3.36Å
634	K	81.2	Confident	82.1	Confident	71 Å²	71	50.4 Å²	50.4	31%	0.309	27%	0.266	S	S	.	.	H	α-helix	trans	-61.7	-39.4	176.2	-77.1	177.9	158.4	164.4	0	111.9	I625 E637 M638 E842 D844	I625-K634 HydrophobicContact CD1-CB 3.93Å; K634-E637 PolarHBondContact O-N 2.84Å; K634-M638 WeakPolarHBondContact O-CB 3.42Å; K634-M638 VanDerWaalsContact O-CG 3.3Å; K634-M638 WeakPolarHBondContact O-CG 3.31Å; K634-M638 PolarHBondContact O-N 3.39Å; K634-E842 WeakPolarHBondContact CB-OE1 3.4Å; K634-E842 HydrophobicContact CD-CB 4Å; K634-E842 WeakPolarHBondContact CE-O 3.32Å; K634-E842 HydrophobicContact CG-CB 4Å; K634-E842 VanDerWaalsContact CG-OE1 3.24Å; K634-E842 WeakPolarHBondContact CG-OE1 3.28Å; K634-E842 PolarHBondContact N-OE1 2.96Å; K634-E842 PolarHBondContact N-OE2 3.3Å; K634-E842 PolarHBondContact NZ-O 3.03Å; K634-D844 IonicContact NZ-OD1 3.31Å
635	T	82.7	Confident	82.2	Confident	9 Å²	9	46.3 Å²	46.3	6%	0.055	24%	0.236	C	C	.	.	H	α-helix	trans	-60.4	-53.4	176.1	-52.1	0	0	0	0	111.2	Y455 L622 I625 V632 Y633 E637 M638 L639	Y455-T635 HydrophobicContact CE1-CG2 4.01Å; L622-T635 HydrophobicContact CD2-CG2 4Å; I625-T635 WeakPolarHBondContact CD1-OG1 3.42Å; V632-T635 PolarHBondContact O-N 3.43Å; Y633-T635 VanDerWaalsContact C-N 3.3Å; Y633-T635 PolarHBondContact O-N 3.03Å; T635-E637 VanDerWaalsContact C-N 3.33Å; T635-E637 PolarHBondContact O-N 3.04Å; T635-M638 PolarHBondContact O-N 3.3Å; T635-L639 HydrophobicContact CG2-CD1 4.05Å; T635-L639 VanDerWaalsContact O-CG 3.3Å; T635-L639 WeakPolarHBondContact O-CG 3.41Å; T635-L639 PolarHBondContact O-N 3.32Å
636	S	78.2	Confident	82.5	Confident	28 Å²	28	45.6 Å²	45.6	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-38.7	178.3	-64.3	0	0	0	0	112.6	V632 Y633 K640	V632-S636 WeakPolarHBondContact O-CB 3.42Å; V632-S636 PolarHBondContact O-N 3.19Å; V632-S636 PolarHBondContact O-OG 3.15Å; V632-S636 VanDerWaalsContact O-OG 3.06Å; Y633-S636 PolarHBondContact O-N 3.1Å; S636-K640 WeakPolarHBondContact O-CB 3.37Å; S636-K640 PolarHBondContact O-N 3.32Å; S636-K640 VanDerWaalsContact O-N 3.09Å
637	E	78.8	Confident	83	Confident	44 Å²	44	44.1 Å²	44.1	21%	0.206	23%	0.232	C	C	.	.	H	α-helix	trans	-65.1	-48	177.2	-170.6	-177.5	-171.9	0	0	111.8	Y633 K634 T635 K640 R641	Y633-E637 WeakPolarHBondContact CE1-OE2 3.32Å; Y633-E637 VanDerWaalsContact O-CB 3.25Å; Y633-E637 WeakPolarHBondContact O-CB 3.32Å; Y633-E637 PolarHBondContact O-N 3.2Å; K634-E637 PolarHBondContact O-N 2.84Å; T635-E637 VanDerWaalsContact C-N 3.33Å; T635-E637 PolarHBondContact O-N 3.04Å; E637-K640 PolarHBondContact O-N 3.35Å; E637-R641 VanDerWaalsContact O-CG 3.32Å; E637-R641 WeakPolarHBondContact O-CG 3.32Å; E637-R641 PolarHBondContact O-N 2.72Å; E637-R641 IonicContact OE1-CZ 3.57Å; E637-R641 IonicContact OE1-NE 2.7Å; E637-R641 IonicContact OE1-NH2 3.59Å; E637-R641 PolarHBondContact OE1-NH2 3.13Å
638	M	84.6	Confident	84.1	Confident	9 Å²	9	40.2 Å²	40.2	4%	0.044	21%	0.208	C	C	.	.	H	α-helix	trans	-67	-37.7	179.9	-68	-53.2	102.8	0	0	112.3	C618 L622 K634 T635 R641 L642 V735	C618-M638 HydrophobicContact CB-SD 4.47Å; L622-M638 HydrophobicContact CD1-CB 4.14Å; L622-M638 HydrophobicContact CD2-CB 3.71Å; L622-M638 HydrophobicContact CD2-CG 4.42Å; L622-M638 HydrophobicContact CG-CB 3.63Å; L622-M638 HydrophobicContact CG-CG 4.31Å; K634-M638 WeakPolarHBondContact O-CB 3.42Å; K634-M638 VanDerWaalsContact O-CG 3.3Å; K634-M638 WeakPolarHBondContact O-CG 3.31Å; K634-M638 PolarHBondContact O-N 3.39Å; T635-M638 PolarHBondContact O-N 3.3Å; M638-R641 PolarHBondContact O-N 3.36Å; M638-L642 WeakPolarHBondContact O-CG 3.29Å; M638-L642 PolarHBondContact O-N 2.89Å; M638-V735 HydrophobicContact SD-CG2 4.09Å
639	L	83.1	Confident	84.9	Confident	28 Å²	28	33.8 Å²	33.8	15%	0.147	17%	0.173	C	C	.	.	H	α-helix	trans	-63.4	-46.1	175.2	-70.8	169.9	0	0	0	111.8	Y455 L622 T635 R641 L642 E643	Y455-L639 HydrophobicContact CD1-CD1 3.6Å; Y455-L639 HydrophobicContact CD1-CD2 3.86Å; Y455-L639 HydrophobicContact CD1-CG 4.33Å; Y455-L639 HydrophobicContact CD2-CD2 4.46Å; Y455-L639 HydrophobicContact CE1-CD1 3.86Å; Y455-L639 HydrophobicContact CG-CD1 4.41Å; Y455-L639 HydrophobicContact CG-CD2 3.82Å; L622-L639 HydrophobicContact CD1-CD2 3.91Å; L622-L639 HydrophobicContact CD1-CG 4.33Å; L622-L639 HydrophobicContact CD2-CG 4.41Å; T635-L639 HydrophobicContact CG2-CD1 4.05Å; T635-L639 VanDerWaalsContact O-CG 3.3Å; T635-L639 WeakPolarHBondContact O-CG 3.41Å; T635-L639 PolarHBondContact O-N 3.32Å; L639-R641 VanDerWaalsContact C-N 3.3Å; L639-R641 PolarHBondContact O-N 2.79Å; L639-L642 PolarHBondContact O-N 3.04Å; L639-L642 VanDerWaalsContact O-N 3.14Å; L639-E643 PolarHBondContact O-N 3.02Å
640	K	80.4	Confident	85.3	Confident	66 Å²	66	35.7 Å²	35.7	29%	0.287	18%	0.182	S	C	.	.	H	α-helix	trans	-62.5	-36.7	175.7	-173.5	176.4	-179.2	175.5	0	112.3	D336 T340 S636 E637 E643 V644	D336-K640 PolarHBondContact O-NZ 3.14Å; T340-K640 HydrophobicContact CG2-CB 4.36Å; T340-K640 HydrophobicContact CG2-CD 3.23Å; T340-K640 HydrophobicContact CG2-CG 4.42Å; S636-K640 WeakPolarHBondContact O-CB 3.37Å; S636-K640 PolarHBondContact O-N 3.32Å; S636-K640 VanDerWaalsContact O-N 3.09Å; E637-K640 PolarHBondContact O-N 3.35Å; K640-E643 PolarHBondContact O-N 3.08Å; K640-V644 WeakPolarHBondContact O-CG2 3.41Å; K640-V644 PolarHBondContact O-N 3.43Å; K640-V644 VanDerWaalsContact O-N 3.16Å
641	R	85.2	Confident	85.5	Confident	41 Å²	41	36 Å²	36	16%	0.155	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-45.8	172.2	-70.9	174.2	-174	-145.9	8.3	111.1	E637 M638 L639 E643 V644 E645 D733	E637-R641 VanDerWaalsContact O-CG 3.32Å; E637-R641 WeakPolarHBondContact O-CG 3.32Å; E637-R641 PolarHBondContact O-N 2.72Å; E637-R641 IonicContact OE1-CZ 3.57Å; E637-R641 IonicContact OE1-NE 2.7Å; E637-R641 IonicContact OE1-NH2 3.59Å; E637-R641 PolarHBondContact OE1-NH2 3.13Å; M638-R641 PolarHBondContact O-N 3.36Å; L639-R641 VanDerWaalsContact C-N 3.3Å; L639-R641 PolarHBondContact O-N 2.79Å; R641-E643 VanDerWaalsContact C-N 3.31Å; R641-E643 PolarHBondContact O-N 2.92Å; R641-V644 PolarHBondContact O-N 3.3Å; R641-E645 WeakPolarHBondContact O-CG 3.44Å; R641-E645 PolarHBondContact O-N 2.76Å; R641-D733 IonicContact NH1-OD1 3.48Å; R641-D733 IonicContact NH1-OD2 3.51Å; R641-D733 PolarHBondContact NH1-OD2 2.78Å
642	L	89	Confident	85.9	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-61.5	-36.2	177.1	-75.1	165.4	0	0	0	112.9	L458 L461 I615 C618 L619 L622 M638 L639 T646	L458-L642 HydrophobicContact CD2-CB 4.38Å; L458-L642 HydrophobicContact CD2-CD1 3.84Å; L461-L642 HydrophobicContact CD2-CD2 4.04Å; I615-L642 HydrophobicContact CB-CD2 4.23Å; I615-L642 HydrophobicContact CG1-CD2 4.24Å; I615-L642 HydrophobicContact CG2-CD2 3.87Å; C618-L642 HydrophobicContact CB-CD1 4.01Å; C618-L642 HydrophobicContact CB-CD2 3.64Å; C618-L642 HydrophobicContact CB-CG 3.61Å; L619-L642 HydrophobicContact CD2-CD1 3.85Å; L619-L642 HydrophobicContact CD2-CD2 4.41Å; L619-L642 HydrophobicContact CG-CD1 4.33Å; L619-L642 HydrophobicContact CG-CD2 4.21Å; L622-L642 HydrophobicContact CD1-CD1 3.54Å; M638-L642 WeakPolarHBondContact O-CG 3.29Å; M638-L642 PolarHBondContact O-N 2.89Å; L639-L642 PolarHBondContact O-N 3.04Å; L639-L642 VanDerWaalsContact O-N 3.14Å; L642-T646 VanDerWaalsContact O-CB 3.31Å; L642-T646 WeakPolarHBondContact O-CB 3.46Å; L642-T646 PolarHBondContact O-N 3.45Å; L642-T646 PolarHBondContact O-OG1 2.86Å
643	E	86.9	Confident	86.5	Confident	129 Å²	129	34.6 Å²	34.6	60%	0.603	18%	0.175	S	C	*	.	H	α-helix	trans	-60	-50.1	171.8	-173.3	-176.2	-168.1	0	0	111.4	L639 K640 R641 E645 T646 V647	L639-E643 PolarHBondContact O-N 3.02Å; K640-E643 PolarHBondContact O-N 3.08Å; R641-E643 VanDerWaalsContact C-N 3.31Å; R641-E643 PolarHBondContact O-N 2.92Å; E643-E645 PolarHBondContact O-N 2.74Å; E643-T646 WeakPolarHBondContact O-CB 2.93Å; E643-T646 PolarHBondContact O-N 3.06Å; E643-T646 VanDerWaalsContact O-N 3.16Å; E643-V647 PolarHBondContact O-N 3.1Å
644	V	86.8	Confident	86.9	Confident	69 Å²	69	37.3 Å²	37.3	42%	0.418	19%	0.185	S	C	.	.	H	α-helix	trans	-62.4	-42.9	178.3	172.6	0	0	0	0	112.3	K640 R641 T646 V647 T648	K640-V644 WeakPolarHBondContact O-CG2 3.41Å; K640-V644 PolarHBondContact O-N 3.43Å; K640-V644 VanDerWaalsContact O-N 3.16Å; R641-V644 PolarHBondContact O-N 3.3Å; V644-T646 VanDerWaalsContact C-N 3.31Å; V644-T646 PolarHBondContact O-N 3.21Å; V644-V647 PolarHBondContact O-N 2.77Å; V644-T648 WeakPolarHBondContact O-CB 3.49Å; V644-T648 PolarHBondContact O-N 3.13Å; V644-T648 PolarHBondContact O-OG1 3.06Å
645	E	90.4	Very high	87	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.019	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-33.9	175.2	-62.2	-58	137.8	0	0	111.7	H611 R614 I615 R641 E643 T648 L649	H611-E645 IonicContact CE1-OE2 3.35Å; H611-E645 IonicContact CG-OE2 2.71Å; H611-E645 IonicContact ND1-OE2 3.14Å; H611-E645 PolarHBondContact ND1-OE2 3.41Å; R614-E645 HydrophobicContact CB-CG 4.3Å; R614-E645 IonicContact CZ-OE1 2.85Å; R614-E645 VanDerWaalsContact NE-CD 3.34Å; R614-E645 IonicContact NE-OE1 3.21Å; R614-E645 PolarHBondContact NE-OE1 2.99Å; R614-E645 IonicContact NE-OE2 3.33Å; R614-E645 IonicContact NH2-OE1 2.88Å; R614-E645 PolarHBondContact NH2-OE1 3.41Å; R614-E645 VanDerWaalsContact NH2-OE1 3.14Å; I615-E645 HydrophobicContact CD1-CB 3.88Å; I615-E645 HydrophobicContact CG1-CB 3.5Å; I615-E645 HydrophobicContact CG1-CG 4.06Å; R641-E645 WeakPolarHBondContact O-CG 3.44Å; R641-E645 PolarHBondContact O-N 2.76Å; E643-E645 PolarHBondContact O-N 2.74Å; E645-T648 WeakPolarHBondContact O-CB 3.31Å; E645-T648 PolarHBondContact O-N 3.06Å; E645-L649 WeakPolarHBondContact O-CB 3.32Å; E645-L649 WeakPolarHBondContact O-CG 3.32Å; E645-L649 PolarHBondContact O-N 3.38Å
646	T	91.4	Very high	87.2	Confident	18 Å²	18	33.9 Å²	33.9	11%	0.11	17%	0.171	C	C	.	.	H	α-helix	trans	-65.7	-45.3	176.2	-59.7	0	0	0	0	111.4	L461 L464 L642 E643 V644 T648 L649 D650	L461-T646 HydrophobicContact CB-CG2 4.3Å; L464-T646 HydrophobicContact CD2-CG2 3.94Å; L464-T646 WeakPolarHBondContact CD2-O 3.47Å; L642-T646 VanDerWaalsContact O-CB 3.31Å; L642-T646 WeakPolarHBondContact O-CB 3.46Å; L642-T646 PolarHBondContact O-N 3.45Å; L642-T646 PolarHBondContact O-OG1 2.86Å; E643-T646 WeakPolarHBondContact O-CB 2.93Å; E643-T646 PolarHBondContact O-N 3.06Å; E643-T646 VanDerWaalsContact O-N 3.16Å; V644-T646 VanDerWaalsContact C-N 3.31Å; V644-T646 PolarHBondContact O-N 3.21Å; T646-T648 VanDerWaalsContact C-N 3.32Å; T646-T648 PolarHBondContact O-N 3.39Å; T646-L649 PolarHBondContact O-N 2.89Å; T646-D650 PolarHBondContact O-N 3.49Å
647	V	90.6	Very high	87.4	Confident	74 Å²	74	38.6 Å²	38.6	45%	0.448	19%	0.187	S	C	.	.	H	α-helix	trans	-60.8	-44.4	173.5	175.7	0	0	0	0	110.5	E643 V644 L649 D650 D651	E643-V647 PolarHBondContact O-N 3.1Å; V644-V647 PolarHBondContact O-N 2.77Å; V647-L649 VanDerWaalsContact C-N 3.32Å; V647-L649 PolarHBondContact O-N 2.95Å; V647-D650 PolarHBondContact O-N 3.02Å; V647-D651 PolarHBondContact O-N 2.82Å; V647-D651 VanDerWaalsContact O-N 3.09Å
648	T	91.8	Very high	87.1	Confident	13 Å²	13	39.7 Å²	39.7	8%	0.08	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-40.6	178.1	-60.3	0	0	0	0	112.5	H611 V644 E645 T646 D650 L652 F745	H611-T648 VanDerWaalsContact CE1-CG2 3.49Å; H611-T648 WeakPolarHBondContact CE1-CG2 3.36Å; V644-T648 WeakPolarHBondContact O-CB 3.49Å; V644-T648 PolarHBondContact O-N 3.13Å; V644-T648 PolarHBondContact O-OG1 3.06Å; E645-T648 WeakPolarHBondContact O-CB 3.31Å; E645-T648 PolarHBondContact O-N 3.06Å; T646-T648 VanDerWaalsContact C-N 3.32Å; T646-T648 PolarHBondContact O-N 3.39Å; T648-D650 VanDerWaalsContact C-N 3.31Å; T648-D650 PolarHBondContact O-N 3.42Å; T648-L652 VanDerWaalsContact O-CB 3.3Å; T648-L652 WeakPolarHBondContact O-CB 3.41Å; T648-L652 PolarHBondContact O-N 3.07Å; T648-F745 HydrophobicContact CG2-CB 3.4Å; T648-F745 HydrophobicContact CG2-CD1 4.1Å; T648-F745 HydrophobicContact CG2-CD2 4.37Å; T648-F745 HydrophobicContact CG2-CG 3.72Å
649	L	93.6	Very high	86.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.5	-25.8	175.3	-78	-164.6	0	0	0	113.4	L461 L464 L465 W468 L608 H611 L612 I615 E645 T646 V647 L653	L461-L649 HydrophobicContact CD1-CD1 4.42Å; L464-L649 HydrophobicContact CD2-CB 3.49Å; L464-L649 VanDerWaalsContact CD2-CB 3.49Å; L464-L649 HydrophobicContact CG-CB 4.17Å; L465-L649 HydrophobicContact CD2-CD1 4.38Å; W468-L649 WeakPolarHBondContact CZ2-O 3.48Å; W468-L649 PolarHBondContact NE1-O 2.66Å; L608-L649 HydrophobicContact CD1-CD2 3.56Å; H611-L649 HydrophobicContact CB-CD2 3.88Å; L612-L649 HydrophobicContact CD2-CD1 4.05Å; I615-L649 HydrophobicContact CD1-CD1 3.34Å; I615-L649 HydrophobicContact CD1-CG 3.85Å; E645-L649 WeakPolarHBondContact O-CB 3.32Å; E645-L649 WeakPolarHBondContact O-CG 3.32Å; E645-L649 PolarHBondContact O-N 3.38Å; T646-L649 PolarHBondContact O-N 2.89Å; V647-L649 VanDerWaalsContact C-N 3.32Å; V647-L649 PolarHBondContact O-N 2.95Å; L649-L653 VanDerWaalsContact O-CB 3.23Å; L649-L653 WeakPolarHBondContact O-CB 3.49Å; L649-L653 PolarHBondContact O-N 3.4Å
650	D	91.8	Very high	84.9	Confident	60 Å²	60	43.7 Å²	43.7	32%	0.321	23%	0.23	S	C	.	.	H	α-helix	trans	-77.9	-44.8	175.7	-174.3	76.9	0	0	0	111.4	L464 T646 V647 T648 L652 L653 R654	L464-D650 HydrophobicContact CD1-CB 4.29Å; L464-D650 HydrophobicContact CD2-CB 4.21Å; T646-D650 PolarHBondContact O-N 3.49Å; V647-D650 PolarHBondContact O-N 3.02Å; T648-D650 VanDerWaalsContact C-N 3.31Å; T648-D650 PolarHBondContact O-N 3.42Å; D650-L652 VanDerWaalsContact C-N 3.31Å; D650-L652 PolarHBondContact O-N 3.31Å; D650-L653 WeakPolarHBondContact O-CB 3.41Å; D650-L653 PolarHBondContact O-N 2.89Å; D650-R654 PolarHBondContact O-N 3.06Å; D650-R654 IonicContact OD2-CZ 3.53Å; D650-R654 IonicContact OD2-NH2 3.11Å; D650-R654 PolarHBondContact OD2-NH2 3.33Å
651	D	89.8	Confident	84.1	Confident	20 Å²	20	44.2 Å²	44.2	11%	0.107	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-44.1	174.1	-71.3	-31	0	0	0	110.7	V647 L653 R654 I655 I672 F745	V647-D651 PolarHBondContact O-N 2.82Å; V647-D651 VanDerWaalsContact O-N 3.09Å; D651-L653 VanDerWaalsContact C-N 3.32Å; D651-L653 PolarHBondContact O-N 2.9Å; D651-R654 WeakPolarHBondContact O-CB 3.43Å; D651-R654 PolarHBondContact O-N 3.36Å; D651-R654 IonicContact OD1-CZ 3.6Å; D651-R654 VanDerWaalsContact OD1-CZ 3.23Å; D651-R654 IonicContact OD1-NH1 3.42Å; D651-R654 PolarHBondContact OD1-NH1 2.81Å; D651-R654 IonicContact OD1-NH2 3.35Å; D651-R654 PolarHBondContact OD1-NH2 3.44Å; D651-I655 WeakPolarHBondContact O-CG1 3.43Å; D651-I655 PolarHBondContact O-N 3.04Å; D651-I655 VanDerWaalsContact O-N 3.15Å; D651-I672 HydrophobicContact CB-CG2 4.42Å; D651-F745 HydrophobicContact CB-CE1 4.13Å
652	L	91	Very high	83	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.6	-33.7	174.3	-172.4	65.9	0	0	0	112.4	W468 V604 C607 L608 T648 D650 I655 A656 F745	W468-L652 HydrophobicContact CH2-CB 4.45Å; W468-L652 HydrophobicContact CH2-CD2 4.33Å; W468-L652 HydrophobicContact CH2-CG 3.95Å; W468-L652 HydrophobicContact CZ2-CB 3.97Å; W468-L652 HydrophobicContact CZ2-CD2 4.15Å; W468-L652 HydrophobicContact CZ2-CG 3.89Å; V604-L652 HydrophobicContact CG1-CD1 4.09Å; V604-L652 HydrophobicContact CG1-CG 4.4Å; C607-L652 HydrophobicContact CB-CD1 4.06Å; C607-L652 HydrophobicContact CB-CD2 4Å; L608-L652 HydrophobicContact CB-CD2 3.92Å; L608-L652 HydrophobicContact CD1-CD2 4.29Å; T648-L652 VanDerWaalsContact O-CB 3.3Å; T648-L652 WeakPolarHBondContact O-CB 3.41Å; T648-L652 PolarHBondContact O-N 3.07Å; D650-L652 VanDerWaalsContact C-N 3.31Å; D650-L652 PolarHBondContact O-N 3.31Å; L652-I655 PolarHBondContact O-N 3.39Å; L652-A656 WeakPolarHBondContact O-CB 3.43Å; L652-A656 PolarHBondContact O-N 2.9Å; L652-F745 HydrophobicContact CB-CZ 4.47Å; L652-F745 HydrophobicContact CD1-CE2 3.88Å; L652-F745 HydrophobicContact CD1-CZ 4.05Å
653	L	89.9	Confident	81.9	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-68.7	-36.2	176.9	179.5	61.1	0	0	0	111.5	L464 Q467 W468 L471 L649 D650 D651 A656 K657	L464-L653 HydrophobicContact CD1-CD2 3.62Å; Q467-L653 HydrophobicContact CB-CD2 3.86Å; W468-L653 HydrophobicContact CD2-CB 4.47Å; W468-L653 HydrophobicContact CD2-CD1 3.85Å; W468-L653 HydrophobicContact CE3-CD1 3.9Å; W468-L653 HydrophobicContact CG-CD1 4.43Å; W468-L653 HydrophobicContact CH2-CB 4.23Å; W468-L653 HydrophobicContact CH2-CD1 4.26Å; W468-L653 HydrophobicContact CZ2-CB 3.61Å; W468-L653 HydrophobicContact CZ2-CD1 4.21Å; W468-L653 HydrophobicContact CZ3-CD1 4.08Å; L471-L653 HydrophobicContact CD1-CD1 3.67Å; L649-L653 VanDerWaalsContact O-CB 3.23Å; L649-L653 WeakPolarHBondContact O-CB 3.49Å; L649-L653 PolarHBondContact O-N 3.4Å; D650-L653 WeakPolarHBondContact O-CB 3.41Å; D650-L653 PolarHBondContact O-N 2.89Å; D651-L653 VanDerWaalsContact C-N 3.32Å; D651-L653 PolarHBondContact O-N 2.9Å; L653-A656 PolarHBondContact O-N 2.95Å; L653-K657 HydrophobicContact CG-CD 4.34Å; L653-K657 WeakPolarHBondContact O-CD 3.5Å; L653-K657 VanDerWaalsContact O-CG 3.26Å; L653-K657 WeakPolarHBondContact O-CG 3.39Å; L653-K657 PolarHBondContact O-N 2.86Å
654	R	87.3	Confident	81.4	Confident	97 Å²	97	41.4 Å²	41.4	37%	0.366	24%	0.241	S	C	.	.	H	α-helix	trans	-64.5	-41.3	175.1	-156.7	-177	-56.7	133.1	16.3	111.5	D650 D651 S658 E671	D650-R654 PolarHBondContact O-N 3.06Å; D650-R654 IonicContact OD2-CZ 3.53Å; D650-R654 IonicContact OD2-NH2 3.11Å; D650-R654 PolarHBondContact OD2-NH2 3.33Å; D651-R654 WeakPolarHBondContact O-CB 3.43Å; D651-R654 PolarHBondContact O-N 3.36Å; D651-R654 IonicContact OD1-CZ 3.6Å; D651-R654 VanDerWaalsContact OD1-CZ 3.23Å; D651-R654 IonicContact OD1-NH1 3.42Å; D651-R654 PolarHBondContact OD1-NH1 2.81Å; D651-R654 IonicContact OD1-NH2 3.35Å; D651-R654 PolarHBondContact OD1-NH2 3.44Å; R654-S658 PolarHBondContact O-OG 2.9Å; R654-E671 WeakPolarHBondContact CD-OE1 3.23Å; R654-E671 IonicContact CZ-OE1 2.71Å; R654-E671 IonicContact NE-OE1 2.83Å; R654-E671 IonicContact NH1-OE1 2.69Å; R654-E671 PolarHBondContact NH1-OE1 3.42Å
655	I	84.5	Confident	81.1	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-66.6	-46.4	173.8	-68.1	160.9	0	0	0	110.8	V604 D651 L652 K657 S658 L662 P663 V668 F745	V604-I655 HydrophobicContact CG2-CG2 4.46Å; D651-I655 WeakPolarHBondContact O-CG1 3.43Å; D651-I655 PolarHBondContact O-N 3.04Å; D651-I655 VanDerWaalsContact O-N 3.15Å; L652-I655 PolarHBondContact O-N 3.39Å; I655-K657 VanDerWaalsContact C-N 3.31Å; I655-K657 PolarHBondContact O-N 3.46Å; I655-S658 WeakPolarHBondContact O-CB 3.43Å; I655-S658 PolarHBondContact O-N 3.45Å; I655-L662 HydrophobicContact CG2-CD2 4.03Å; I655-P663 HydrophobicContact CG1-CG 4.19Å; I655-P663 HydrophobicContact CG2-CG 4.12Å; I655-V668 HydrophobicContact CD1-CG1 3.81Å; I655-V668 HydrophobicContact CD1-CG2 4.07Å; I655-V668 HydrophobicContact CG1-CG2 4.47Å; I655-F745 HydrophobicContact CD1-CE1 4.11Å; I655-F745 HydrophobicContact CD1-CZ 3.67Å
656	A	85.4	Confident	80.3	Confident	5 Å²	5	40 Å²	40	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-34.9	179	0	0	0	0	0	113.3	W468 L471 T599 V604 L652 L653 S658 A659	W468-A656 HydrophobicContact CH2-CB 3.58Å; W468-A656 HydrophobicContact CZ3-CB 3.69Å; L471-A656 HydrophobicContact CD1-CB 4.47Å; T599-A656 HydrophobicContact CG2-CB 4.45Å; V604-A656 HydrophobicContact CG1-CB 3.9Å; L652-A656 WeakPolarHBondContact O-CB 3.43Å; L652-A656 PolarHBondContact O-N 2.9Å; L653-A656 PolarHBondContact O-N 2.95Å; A656-S658 PolarHBondContact O-N 3.37Å; A656-S658 VanDerWaalsContact O-N 3.15Å; A656-A659 VanDerWaalsContact O-CB 3.28Å; A656-A659 WeakPolarHBondContact O-CB 3.15Å; A656-A659 PolarHBondContact O-N 3.28Å; A656-A659 VanDerWaalsContact O-N 3.11Å
657	K	82.4	Confident	79.6	Confident	126 Å²	126	43.9 Å²	43.9	55%	0.548	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.6	172.8	-76.1	164.6	-179.7	165.4	0	113.7	L471 L653 I655	L471-K657 HydrophobicContact CD1-CG 4.09Å; L653-K657 HydrophobicContact CG-CD 4.34Å; L653-K657 WeakPolarHBondContact O-CD 3.5Å; L653-K657 VanDerWaalsContact O-CG 3.26Å; L653-K657 WeakPolarHBondContact O-CG 3.39Å; L653-K657 PolarHBondContact O-N 2.86Å; I655-K657 VanDerWaalsContact C-N 3.31Å; I655-K657 PolarHBondContact O-N 3.46Å
658	S	72.9	Confident	79.1	Confident	68 Å²	68	40.5 Å²	40.5	48%	0.476	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-4.1	176.7	-51.9	0	0	0	0	113.6	R654 I655 A656 A661	R654-S658 PolarHBondContact O-OG 2.9Å; I655-S658 WeakPolarHBondContact O-CB 3.43Å; I655-S658 PolarHBondContact O-N 3.45Å; A656-S658 PolarHBondContact O-N 3.37Å; A656-S658 VanDerWaalsContact O-N 3.15Å; S658-A661 PolarHBondContact O-N 2.67Å
659	A	63.9	Low	78.6	Confident	26 Å²	26	39.9 Å²	39.9	22%	0.215	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	149.1	177.6	0	0	0	0	0	111.8	A656	A656-A659 VanDerWaalsContact O-CB 3.28Å; A656-A659 WeakPolarHBondContact O-CB 3.15Å; A656-A659 PolarHBondContact O-N 3.28Å; A656-A659 VanDerWaalsContact O-N 3.11Å
660	P	57.5	Low	77.9	Confident	94 Å²	94	44.1 Å²	44.1	61%	0.61	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.5	-10.3	10.1	33.6	-36.8	0	0	0	115	L662	P660-L662 PolarHBondContact O-N 3.22Å
661	A	63.3	Low	77.4	Confident	77 Å²	77	45.4 Å²	45.4	64%	0.636	26%	0.261	S	S	*	.	S	Bend	trans	-81.7	85.9	-179.8	0	0	0	0	0	110.6	S658	S658-A661 PolarHBondContact O-N 2.67Å
662	L	63.6	Low	77	Confident	36 Å²	36	44.8 Å²	44.8	19%	0.188	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-58.7	138.2	178.8	-69.3	179.1	0	0	0	111.7	V604 I655 P660	V604-L662 HydrophobicContact CG2-CD2 3.58Å; I655-L662 HydrophobicContact CG2-CD2 4.03Å; P660-L662 PolarHBondContact O-N 3.22Å
663	P	65.6	Low	76.5	Confident	42 Å²	42	51.3 Å²	51.3	27%	0.273	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-62	146.3	171.5	25.6	-32.7	0	0	0	110.8	I655 I665 V668	I655-P663 HydrophobicContact CG1-CG 4.19Å; I655-P663 HydrophobicContact CG2-CG 4.12Å; P663-I665 PolarHBondContact O-N 2.99Å; P663-V668 HydrophobicContact CB-CG2 4.16Å; P663-V668 HydrophobicContact CG-CG2 3.64Å
664	N	74.9	Confident	76	Confident	35 Å²	35	51.6 Å²	51.6	19%	0.187	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-51.5	131.9	174.9	-177.3	-49	0	0	0	109.8	S666 N667 V668	N664-S666 PolarHBondContact O-N 3.14Å; N664-S666 VanDerWaalsContact OD1-CB 3.28Å; N664-S666 WeakPolarHBondContact OD1-CB 3.48Å; N664-S666 PolarHBondContact OD1-N 3.2Å; N664-S666 PolarHBondContact OD1-OG 3.48Å; N664-N667 WeakPolarHBondContact O-CA 3.43Å; N664-N667 VanDerWaalsContact O-CB 3.3Å; N664-N667 WeakPolarHBondContact O-CB 3.45Å; N664-N667 PolarHBondContact O-N 3.43Å; N664-V668 PolarHBondContact O-N 3.48Å; N664-V668 VanDerWaalsContact O-N 3.13Å
665	I	81.4	Confident	75.7	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.015	29%	0.285	C	S	.	.	H	α-helix	trans	-55.1	-29.1	-177	-176.8	57.1	0	0	0	113.1	W585 P663 N667 V668 L669 L683 S692 L693 V744	W585-I665 HydrophobicContact CD2-CG2 4.16Å; W585-I665 HydrophobicContact CE3-CG2 4.06Å; W585-I665 HydrophobicContact CH2-CG2 3.7Å; W585-I665 HydrophobicContact CZ2-CG2 3.78Å; W585-I665 HydrophobicContact CZ3-CG2 3.84Å; P663-I665 PolarHBondContact O-N 2.99Å; I665-N667 VanDerWaalsContact C-N 3.34Å; I665-V668 HydrophobicContact CD1-CB 4.32Å; I665-V668 PolarHBondContact O-N 3.5Å; I665-L669 HydrophobicContact CD1-CG 4.39Å; I665-L669 HydrophobicContact CG1-CD1 4.19Å; I665-L669 HydrophobicContact CG1-CG 4.44Å; I665-L669 WeakPolarHBondContact O-CB 3.43Å; I665-L669 VanDerWaalsContact O-CG 3.28Å; I665-L669 WeakPolarHBondContact O-CG 3.4Å; I665-L669 PolarHBondContact O-N 3.43Å; I665-L683 HydrophobicContact CG1-CD2 4.22Å; I665-L683 HydrophobicContact CG2-CD2 3.66Å; I665-S692 WeakPolarHBondContact CD1-O 3.29Å; I665-L693 HydrophobicContact CD1-CD2 4.07Å; I665-V744 HydrophobicContact CD1-CG2 4.42Å
666	S	74.5	Confident	75.6	Confident	42 Å²	42	51.4 Å²	51.4	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-67	-34.2	174.5	-42.7	0	0	0	0	112.5	N664 T670	N664-S666 PolarHBondContact O-N 3.14Å; N664-S666 VanDerWaalsContact OD1-CB 3.28Å; N664-S666 WeakPolarHBondContact OD1-CB 3.48Å; N664-S666 PolarHBondContact OD1-N 3.2Å; N664-S666 PolarHBondContact OD1-OG 3.48Å; S666-T670 WeakPolarHBondContact O-CB 3.32Å; S666-T670 PolarHBondContact O-N 2.94Å; S666-T670 VanDerWaalsContact O-N 3.1Å; S666-T670 PolarHBondContact O-OG1 2.9Å
667	N	77	Confident	75.7	Confident	99 Å²	99	54.9 Å²	54.9	53%	0.529	32%	0.318	S	S	.	.	H	α-helix	trans	-72.1	-44.5	174.4	-62.2	-8.6	0	0	0	110	N664 I665 L669 T670 E671	N664-N667 WeakPolarHBondContact O-CA 3.43Å; N664-N667 VanDerWaalsContact O-CB 3.3Å; N664-N667 WeakPolarHBondContact O-CB 3.45Å; N664-N667 PolarHBondContact O-N 3.43Å; I665-N667 VanDerWaalsContact C-N 3.34Å; N667-L669 PolarHBondContact O-N 3.22Å; N667-T670 WeakPolarHBondContact O-CB 3.25Å; N667-T670 PolarHBondContact O-N 3.4Å; N667-T670 VanDerWaalsContact O-N 3.11Å; N667-E671 WeakPolarHBondContact O-CB 3.45Å; N667-E671 PolarHBondContact O-N 3Å
668	V	80.1	Confident	75.9	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-56.6	-50.5	174.8	175.4	0	0	0	0	110.7	I655 P663 N664 I665 T670 E671 I672 L693 F745	I655-V668 HydrophobicContact CD1-CG1 3.81Å; I655-V668 HydrophobicContact CD1-CG2 4.07Å; I655-V668 HydrophobicContact CG1-CG2 4.47Å; P663-V668 HydrophobicContact CB-CG2 4.16Å; P663-V668 HydrophobicContact CG-CG2 3.64Å; N664-V668 PolarHBondContact O-N 3.48Å; N664-V668 VanDerWaalsContact O-N 3.13Å; I665-V668 HydrophobicContact CD1-CB 4.32Å; I665-V668 PolarHBondContact O-N 3.5Å; V668-T670 VanDerWaalsContact C-N 3.25Å; V668-T670 PolarHBondContact O-N 2.84Å; V668-E671 PolarHBondContact O-N 3.23Å; V668-E671 VanDerWaalsContact O-N 3.12Å; V668-I672 WeakPolarHBondContact O-CG1 3.45Å; V668-I672 PolarHBondContact O-N 3.07Å; V668-L693 HydrophobicContact CG1-CD2 4.22Å; V668-F745 HydrophobicContact CG1-CZ 4.37Å
669	L	79.9	Confident	76.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-57.7	-35.7	176	-79	168.3	0	0	0	113.1	I665 N667 A674 Q679 W682 L683 V744 V748	I665-L669 HydrophobicContact CD1-CG 4.39Å; I665-L669 HydrophobicContact CG1-CD1 4.19Å; I665-L669 HydrophobicContact CG1-CG 4.44Å; I665-L669 WeakPolarHBondContact O-CB 3.43Å; I665-L669 VanDerWaalsContact O-CG 3.28Å; I665-L669 WeakPolarHBondContact O-CG 3.4Å; I665-L669 PolarHBondContact O-N 3.43Å; N667-L669 PolarHBondContact O-N 3.22Å; L669-A674 HydrophobicContact CB-CB 4.35Å; L669-A674 HydrophobicContact CD2-CB 3.92Å; L669-A674 VanDerWaalsContact O-CB 3.23Å; L669-A674 WeakPolarHBondContact O-CB 3.5Å; L669-A674 PolarHBondContact O-N 3.09Å; L669-Q679 HydrophobicContact CB-CG 4.06Å; L669-Q679 HydrophobicContact CD1-CB 4.25Å; L669-Q679 HydrophobicContact CD1-CG 4.28Å; L669-Q679 HydrophobicContact CD2-CG 4.47Å; L669-W682 HydrophobicContact CD2-CB 4.36Å; L669-W682 HydrophobicContact CD2-CG 4.37Å; L669-L683 HydrophobicContact CD1-CD1 4.19Å; L669-L683 HydrophobicContact CD1-CD2 3.84Å; L669-L683 HydrophobicContact CD1-CG 3.81Å; L669-V744 HydrophobicContact CD2-CG2 3.55Å; L669-V744 HydrophobicContact CG-CG2 4.32Å; L669-V748 HydrophobicContact CD2-CG2 4.02Å
670	T	79.9	Confident	77.4	Confident	89 Å²	89	50.4 Å²	50.4	55%	0.546	29%	0.287	S	S	.	.	H	α-helix	trans	-73.2	-38.8	176.4	-58.6	0	0	0	0	111.5	S666 N667 V668 E673	S666-T670 WeakPolarHBondContact O-CB 3.32Å; S666-T670 PolarHBondContact O-N 2.94Å; S666-T670 VanDerWaalsContact O-N 3.1Å; S666-T670 PolarHBondContact O-OG1 2.9Å; N667-T670 WeakPolarHBondContact O-CB 3.25Å; N667-T670 PolarHBondContact O-N 3.4Å; N667-T670 VanDerWaalsContact O-N 3.11Å; V668-T670 VanDerWaalsContact C-N 3.25Å; V668-T670 PolarHBondContact O-N 2.84Å; T670-E673 PolarHBondContact O-N 2.78Å
671	E	80.1	Confident	78.8	Confident	87 Å²	87	46 Å²	46	41%	0.407	26%	0.258	S	S	.	.	H	α-helix	trans	-68.2	-38.1	179.4	-176.3	167.9	-165.3	0	0	112.5	R654 N667 V668 E673	R654-E671 WeakPolarHBondContact CD-OE1 3.23Å; R654-E671 IonicContact CZ-OE1 2.71Å; R654-E671 IonicContact NE-OE1 2.83Å; R654-E671 IonicContact NH1-OE1 2.69Å; R654-E671 PolarHBondContact NH1-OE1 3.42Å; N667-E671 WeakPolarHBondContact O-CB 3.45Å; N667-E671 PolarHBondContact O-N 3Å; V668-E671 PolarHBondContact O-N 3.23Å; V668-E671 VanDerWaalsContact O-N 3.12Å; E671-E673 PolarHBondContact O-N 2.76Å
672	I	81.6	Confident	80.1	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.041	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	11.7	173.5	69.4	-175.8	0	0	0	113.7	D651 V668 A674 V744 F745 V748	D651-I672 HydrophobicContact CB-CG2 4.42Å; V668-I672 WeakPolarHBondContact O-CG1 3.45Å; V668-I672 PolarHBondContact O-N 3.07Å; I672-A674 PolarHBondContact O-N 3.47Å; I672-V744 HydrophobicContact CD1-CG1 4.44Å; I672-V744 HydrophobicContact CD1-CG2 3.97Å; I672-F745 HydrophobicContact CD1-CD1 4.32Å; I672-F745 HydrophobicContact CG2-CD1 3.9Å; I672-F745 HydrophobicContact CG2-CE1 3.77Å; I672-V748 HydrophobicContact CD1-CB 4.04Å; I672-V748 HydrophobicContact CD1-CG1 4.22Å; I672-V748 HydrophobicContact CD1-CG2 3.85Å; I672-V748 HydrophobicContact CG1-CB 4.49Å; I672-V748 HydrophobicContact CG1-CG1 4.12Å; I672-V748 HydrophobicContact CG1-CG2 4.44Å
673	E	81.2	Confident	81.1	Confident	136 Å²	136	42.9 Å²	42.9	64%	0.636	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	29.9	173.1	-52.8	173.7	131.9	0	0	115	T670 E671 C675 K752	T670-E673 PolarHBondContact O-N 2.78Å; E671-E673 PolarHBondContact O-N 2.76Å; E673-C675 PolarHBondContact O-N 2.93Å; E673-K752 WeakPolarHBondContact OE2-CE 3.47Å; E673-K752 IonicContact OE2-NZ 3.58Å; E673-K752 PolarHBondContact OE2-NZ 3.3Å
674	A	80	Confident	81.9	Confident	8 Å²	8	42.6 Å²	42.6	7%	0.066	23%	0.23	C	C	.	.			trans	-66.2	130.2	177.9	0	0	0	0	0	111.7	L669 I672 V678 Q679 V748	L669-A674 HydrophobicContact CB-CB 4.35Å; L669-A674 HydrophobicContact CD2-CB 3.92Å; L669-A674 VanDerWaalsContact O-CB 3.23Å; L669-A674 WeakPolarHBondContact O-CB 3.5Å; L669-A674 PolarHBondContact O-N 3.09Å; I672-A674 PolarHBondContact O-N 3.47Å; A674-V678 HydrophobicContact CB-CG1 4.36Å; A674-Q679 HydrophobicContact CB-CG 3.81Å; A674-Q679 PolarHBondContact O-NE2 2.81Å; A674-V748 HydrophobicContact CB-CB 4.46Å; A674-V748 HydrophobicContact CB-CG1 3.77Å; A674-V748 HydrophobicContact CB-CG2 3.75Å
675	C	81	Confident	82.4	Confident	35 Å²	35	41.1 Å²	41.1	24%	0.236	22%	0.222	C	C	.	.			trans	-71.3	156.4	176.1	77.9	0	0	0	0	112.1	E673 E677 V678 Q679	E673-C675 PolarHBondContact O-N 2.93Å; C675-E677 VanDerWaalsContact C-N 3.26Å; C675-E677 PolarHBondContact O-N 3.45Å; C675-E677 VanDerWaalsContact O-N 3.11Å; C675-E677 PolarHBondContact SG-OE2 3.07Å; C675-V678 PolarHBondContact O-N 3.04Å; C675-V678 WeakPolarHBondContact SG-CG2 3.4Å; C675-Q679 WeakPolarHBondContact O-CG 3.45Å; C675-Q679 PolarHBondContact O-N 3.26Å
676	P	81.5	Confident	82.5	Confident	61 Å²	61	41 Å²	41	40%	0.396	22%	0.221	S	C	.	.	H	α-helix	trans	-55.3	-35.1	-170.6	-27.7	36.3	0	0	0	115.1	Q679 E680	P676-Q679 PolarHBondContact O-N 3.41Å; P676-E680 WeakPolarHBondContact O-CB 3.35Å; P676-E680 PolarHBondContact O-N 2.98Å
677	E	87.2	Confident	82.6	Confident	79 Å²	79	47 Å²	47	37%	0.369	24%	0.239	S	C	.	.	H	α-helix	trans	-68.8	-42	179.3	-56.8	74.8	-162.7	0	0	111.3	C675 E680 I681 F756	C675-E677 VanDerWaalsContact C-N 3.26Å; C675-E677 PolarHBondContact O-N 3.45Å; C675-E677 VanDerWaalsContact O-N 3.11Å; C675-E677 PolarHBondContact SG-OE2 3.07Å; E677-E680 PolarHBondContact O-N 2.99Å; E677-I681 WeakPolarHBondContact O-CG1 3.44Å; E677-I681 PolarHBondContact O-N 3.35Å; E677-F756 HydrophobicContact CB-CB 4.2Å; E677-F756 HydrophobicContact CB-CD1 3.53Å; E677-F756 HydrophobicContact CB-CD2 4.1Å; E677-F756 HydrophobicContact CB-CE1 3.85Å; E677-F756 HydrophobicContact CB-CE2 4.38Å; E677-F756 HydrophobicContact CB-CG 3.66Å; E677-F756 HydrophobicContact CB-CZ 4.27Å; E677-F756 HydrophobicContact CG-CB 4.27Å; E677-F756 HydrophobicContact CG-CD1 3.71Å; E677-F756 HydrophobicContact CG-CE1 4.31Å; E677-F756 HydrophobicContact CG-CG 4.08Å
678	V	87	Confident	82.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68.6	-39.5	175.8	173	0	0	0	0	110.5	A674 C675 E680 I681 W682 F747 V748 F751 F756	A674-V678 HydrophobicContact CB-CG1 4.36Å; C675-V678 PolarHBondContact O-N 3.04Å; C675-V678 WeakPolarHBondContact SG-CG2 3.4Å; V678-E680 VanDerWaalsContact C-N 3.35Å; V678-E680 PolarHBondContact O-N 3.36Å; V678-I681 PolarHBondContact O-N 2.87Å; V678-W682 PolarHBondContact O-N 2.9Å; V678-F747 HydrophobicContact CG1-CD1 4.07Å; V678-F747 HydrophobicContact CG1-CE1 3.58Å; V678-F747 HydrophobicContact CG1-CZ 4.21Å; V678-V748 HydrophobicContact CG1-CG2 3.84Å; V678-F751 HydrophobicContact CG1-CD2 4.4Å; V678-F751 HydrophobicContact CG2-CB 3.77Å; V678-F751 HydrophobicContact CG2-CD1 4.08Å; V678-F751 HydrophobicContact CG2-CD2 3.79Å; V678-F751 HydrophobicContact CG2-CE2 4.42Å; V678-F751 HydrophobicContact CG2-CG 3.6Å; V678-F756 HydrophobicContact CG2-CD2 3.75Å; V678-F756 HydrophobicContact CG2-CE2 4.04Å
679	Q	85.4	Confident	82.3	Confident	45 Å²	45	49.9 Å²	49.9	21%	0.21	26%	0.259	C	S	.	.	H	α-helix	trans	-59.3	-44.9	170.8	-62.5	-170.4	12.1	0	0	111.4	L669 A674 C675 P676 I681 W682 L683	L669-Q679 HydrophobicContact CB-CG 4.06Å; L669-Q679 HydrophobicContact CD1-CB 4.25Å; L669-Q679 HydrophobicContact CD1-CG 4.28Å; L669-Q679 HydrophobicContact CD2-CG 4.47Å; A674-Q679 HydrophobicContact CB-CG 3.81Å; A674-Q679 PolarHBondContact O-NE2 2.81Å; C675-Q679 WeakPolarHBondContact O-CG 3.45Å; C675-Q679 PolarHBondContact O-N 3.26Å; P676-Q679 PolarHBondContact O-N 3.41Å; Q679-I681 PolarHBondContact O-N 3.01Å; Q679-W682 PolarHBondContact O-N 2.71Å; Q679-L683 WeakPolarHBondContact O-CB 3.36Å; Q679-L683 VanDerWaalsContact O-CG 3.26Å; Q679-L683 WeakPolarHBondContact O-CG 3.4Å; Q679-L683 PolarHBondContact O-N 2.69Å
680	E	83.2	Confident	82	Confident	80 Å²	80	53.7 Å²	53.7	37%	0.374	28%	0.279	S	S	.	.	H	α-helix	trans	-66	-38.1	-179.3	-167.2	171.9	135.2	0	0	112.4	K278 P676 E677 V678 S684 Q707	K278-E680 IonicContact NZ-OE2 3.36Å; P676-E680 WeakPolarHBondContact O-CB 3.35Å; P676-E680 PolarHBondContact O-N 2.98Å; E677-E680 PolarHBondContact O-N 2.99Å; V678-E680 VanDerWaalsContact C-N 3.35Å; V678-E680 PolarHBondContact O-N 3.36Å; E680-S684 WeakPolarHBondContact O-CB 3.28Å; E680-S684 PolarHBondContact O-N 2.83Å; E680-S684 PolarHBondContact O-OG 2.86Å; E680-Q707 PolarHBondContact OE1-NE2 2.87Å
681	I	87.5	Confident	82	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-47.5	172.5	-68.8	162.7	0	0	0	110.8	E677 V678 Q679 T685 L700 Q703 I704 Q707 F747 F756	E677-I681 WeakPolarHBondContact O-CG1 3.44Å; E677-I681 PolarHBondContact O-N 3.35Å; V678-I681 PolarHBondContact O-N 2.87Å; Q679-I681 PolarHBondContact O-N 3.01Å; I681-T685 PolarHBondContact O-N 2.91Å; I681-T685 PolarHBondContact O-OG1 2.99Å; I681-L700 HydrophobicContact CG2-CD1 3.7Å; I681-Q703 HydrophobicContact CG2-CB 4.27Å; I681-I704 HydrophobicContact CG2-CG1 3.79Å; I681-Q707 HydrophobicContact CD1-CB 4.12Å; I681-Q707 HydrophobicContact CG1-CB 3.76Å; I681-Q707 HydrophobicContact CG1-CG 3.67Å; I681-F747 HydrophobicContact CB-CE1 4.27Å; I681-F747 HydrophobicContact CB-CZ 4.04Å; I681-F747 HydrophobicContact CD1-CZ 4.37Å; I681-F747 HydrophobicContact CG2-CE1 3.97Å; I681-F747 HydrophobicContact CG2-CE2 4.42Å; I681-F747 HydrophobicContact CG2-CZ 3.52Å; I681-F756 HydrophobicContact CD1-CE2 3.86Å; I681-F756 HydrophobicContact CD1-CZ 3.66Å
682	W	90.6	Very high	82.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.5	-53.5	-178	-165.7	-101.6	0	0	0	111.7	L669 V678 Q679 S684 T685 C686 S692 V695 L700 V742 V744 F747	L669-W682 HydrophobicContact CD2-CB 4.36Å; L669-W682 HydrophobicContact CD2-CG 4.37Å; V678-W682 PolarHBondContact O-N 2.9Å; Q679-W682 PolarHBondContact O-N 2.71Å; W682-S684 VanDerWaalsContact C-N 3.32Å; W682-S684 PolarHBondContact O-N 3.12Å; W682-T685 CarbonylContact O-C 3.58Å; W682-T685 WeakPolarHBondContact O-CA 3.31Å; W682-T685 VanDerWaalsContact O-CB 3.3Å; W682-T685 WeakPolarHBondContact O-CB 3.39Å; W682-T685 PolarHBondContact O-N 2.84Å; W682-C686 VanDerWaalsContact CD1-SG 3.56Å; W682-C686 PolarHBondContact NE1-SG 3.3Å; W682-C686 PolarHBondContact O-N 2.98Å; W682-C686 PolarHBondContact O-SG 3.31Å; W682-S692 PolarHBondContact NE1-O 2.97Å; W682-V695 HydrophobicContact CE3-CG2 4.35Å; W682-V695 HydrophobicContact CH2-CB 4.32Å; W682-V695 HydrophobicContact CH2-CG1 4.14Å; W682-V695 HydrophobicContact CH2-CG2 3.48Å; W682-V695 VanDerWaalsContact CH2-CG2 3.48Å; W682-V695 HydrophobicContact CZ2-CG1 3.9Å; W682-V695 HydrophobicContact CZ2-CG2 4.13Å; W682-V695 HydrophobicContact CZ3-CG2 3.61Å; W682-L700 HydrophobicContact CE3-CD1 3.92Å; W682-L700 HydrophobicContact CZ3-CD1 4.16Å; W682-L700 HydrophobicContact CZ3-CD2 4.08Å; W682-V742 HydrophobicContact CH2-CG1 4.47Å; W682-V742 WeakPolarHBondContact CH2-O 3.3Å; W682-V742 HydrophobicContact CZ3-CG1 4.38Å; W682-V744 HydrophobicContact CD2-CB 4.21Å; W682-V744 HydrophobicContact CD2-CG2 3.96Å; W682-V744 VanDerWaalsContact CE2-CB 3.49Å; W682-V744 HydrophobicContact CG-CG2 4.07Å; W682-V744 HydrophobicContact CH2-CB 4.17Å; W682-V744 VanDerWaalsContact CH2-N 3.3Å; W682-V744 HydrophobicContact CZ2-CB 3.5Å; W682-V744 HydrophobicContact CZ2-CG2 4.18Å; W682-V744 VanDerWaalsContact CZ2-N 3.32Å; W682-F747 HydrophobicContact CB-CD1 4.5Å; W682-F747 HydrophobicContact CB-CE1 4.37Å; W682-F747 HydrophobicContact CD2-CD1 4.23Å; W682-F747 HydrophobicContact CE3-CB 3.97Å; W682-F747 AromaticContact CE3-CD1 3.32Å; W682-F747 HydrophobicContact CE3-CD1 3.32Å; W682-F747 HydrophobicContact CE3-CE1 4.03Å; W682-F747 AromaticContact CE3-CG 3.84Å; W682-F747 HydrophobicContact CE3-CG 3.84Å; W682-F747 HydrophobicContact CZ3-CB 3.61Å; W682-F747 AromaticContact CZ3-CD1 3.89Å; W682-F747 HydrophobicContact CZ3-CD1 3.89Å; W682-F747 AromaticContact CZ3-CG 3.92Å; W682-F747 HydrophobicContact CZ3-CG 3.92Å
683	L	83.8	Confident	82.4	Confident	48 Å²	48	47.3 Å²	47.3	25%	0.251	25%	0.248	S	C	.	.	H	α-helix	trans	-62.1	-38	-178.6	-65.5	171.7	0	0	0	112.2	I665 L669 Q679 T685 C686 Y687	I665-L683 HydrophobicContact CG1-CD2 4.22Å; I665-L683 HydrophobicContact CG2-CD2 3.66Å; L669-L683 HydrophobicContact CD1-CD1 4.19Å; L669-L683 HydrophobicContact CD1-CD2 3.84Å; L669-L683 HydrophobicContact CD1-CG 3.81Å; Q679-L683 WeakPolarHBondContact O-CB 3.36Å; Q679-L683 VanDerWaalsContact O-CG 3.26Å; Q679-L683 WeakPolarHBondContact O-CG 3.4Å; Q679-L683 PolarHBondContact O-N 2.69Å; L683-T685 PolarHBondContact O-N 2.7Å; L683-C686 PolarHBondContact O-N 3.14Å; L683-Y687 WeakPolarHBondContact O-CB 3.3Å; L683-Y687 PolarHBondContact O-N 2.71Å
684	S	82.8	Confident	82.7	Confident	37 Å²	37	41.9 Å²	41.9	26%	0.259	22%	0.224	S	C	.	.	H	α-helix	trans	-65.5	-22.8	172.5	-64.3	0	0	0	0	113.6	E680 W682 P688 Q703	E680-S684 WeakPolarHBondContact O-CB 3.28Å; E680-S684 PolarHBondContact O-N 2.83Å; E680-S684 PolarHBondContact O-OG 2.86Å; W682-S684 VanDerWaalsContact C-N 3.32Å; W682-S684 PolarHBondContact O-N 3.12Å; S684-P688 WeakPolarHBondContact O-CD 3.47Å; S684-Q703 PolarHBondContact O-NE2 3.3Å
685	T	85.4	Confident	83.3	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-84.1	-40.7	173.4	-51.5	0	0	0	0	111.4	I681 W682 L683 P688 L689 V695 K699 L700 Q703	I681-T685 PolarHBondContact O-N 2.91Å; I681-T685 PolarHBondContact O-OG1 2.99Å; W682-T685 CarbonylContact O-C 3.58Å; W682-T685 WeakPolarHBondContact O-CA 3.31Å; W682-T685 VanDerWaalsContact O-CB 3.3Å; W682-T685 WeakPolarHBondContact O-CB 3.39Å; W682-T685 PolarHBondContact O-N 2.84Å; L683-T685 PolarHBondContact O-N 2.7Å; T685-P688 WeakPolarHBondContact O-CD 3.34Å; T685-L689 HydrophobicContact CG2-CD1 4.4Å; T685-L689 VanDerWaalsContact O-CD1 3.31Å; T685-L689 WeakPolarHBondContact O-CD1 3.44Å; T685-L689 WeakPolarHBondContact O-CG 3.26Å; T685-V695 HydrophobicContact CG2-CB 3.81Å; T685-V695 HydrophobicContact CG2-CG1 3.93Å; T685-V695 HydrophobicContact CG2-CG2 3.83Å; T685-K699 HydrophobicContact CG2-CB 3.92Å; T685-L700 HydrophobicContact CG2-CB 4.16Å; T685-L700 HydrophobicContact CG2-CD1 4.41Å; T685-Q703 VanDerWaalsContact OG1-CG 3.31Å; T685-Q703 WeakPolarHBondContact OG1-CG 3.45Å
686	C	83.1	Confident	83.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-47.9	178.9	-73.5	0	0	0	0	113.7	W585 W682 L683 L689 N690 S691	W585-C686 HydrophobicContact CH2-CB 4.37Å; W682-C686 VanDerWaalsContact CD1-SG 3.56Å; W682-C686 PolarHBondContact NE1-SG 3.3Å; W682-C686 PolarHBondContact O-N 2.98Å; W682-C686 PolarHBondContact O-SG 3.31Å; L683-C686 PolarHBondContact O-N 3.14Å; C686-L689 PolarHBondContact O-N 3.17Å; C686-N690 PolarHBondContact O-N 2.97Å; C686-N690 VanDerWaalsContact O-N 3.08Å; C686-S691 WeakPolarHBondContact CB-O 3.44Å; C686-S691 PolarHBondContact SG-O 3.4Å
687	Y	76.8	Confident	84.1	Confident	170 Å²	170	39.4 Å²	39.4	67%	0.667	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-42.1	-169.3	-175.4	-89.7	0	0	0	114.6	L683 L689	L683-Y687 WeakPolarHBondContact O-CB 3.3Å; L683-Y687 PolarHBondContact O-N 2.71Å; Y687-L689 VanDerWaalsContact C-N 3.27Å; Y687-L689 PolarHBondContact O-N 3.46Å
688	P	74.9	Confident	84.2	Confident	93 Å²	93	41.6 Å²	41.6	60%	0.604	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-10.8	176.5	-16.5	32.8	0	0	0	114.9	S684 T685	S684-P688 WeakPolarHBondContact O-CD 3.47Å; T685-P688 WeakPolarHBondContact O-CD 3.34Å
689	L	75.3	Confident	84.4	Confident	67 Å²	67	47.2 Å²	47.2	35%	0.351	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-15.8	-171.1	-60.5	179.7	0	0	0	113.7	T685 C686 Y687 S691 V695 P696 K699	T685-L689 HydrophobicContact CG2-CD1 4.4Å; T685-L689 VanDerWaalsContact O-CD1 3.31Å; T685-L689 WeakPolarHBondContact O-CD1 3.44Å; T685-L689 WeakPolarHBondContact O-CG 3.26Å; C686-L689 PolarHBondContact O-N 3.17Å; Y687-L689 VanDerWaalsContact C-N 3.27Å; Y687-L689 PolarHBondContact O-N 3.46Å; L689-S691 VanDerWaalsContact C-N 3.31Å; L689-S691 PolarHBondContact O-N 3.44Å; L689-V695 HydrophobicContact CD1-CB 4.48Å; L689-P696 HydrophobicContact CD1-CG 4.27Å; L689-K699 HydrophobicContact CD1-CB 4.19Å; L689-K699 HydrophobicContact CD1-CG 4.17Å; L689-K699 HydrophobicContact CD2-CG 4.44Å
690	N	74	Confident	84.7	Confident	81 Å²	81	45.1 Å²	45.1	43%	0.433	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	42.6	-172.5	-162.5	72.3	0	0	0	112.9	F584 C686	F584-N690 WeakPolarHBondContact CE2-OD1 3.42Å; F584-N690 WeakPolarHBondContact CZ-OD1 3.24Å; C686-N690 PolarHBondContact O-N 2.97Å; C686-N690 VanDerWaalsContact O-N 3.08Å
691	S	79.4	Confident	85.1	Confident	30 Å²	30	44 Å²	44	21%	0.21	23%	0.227	C	C	.	.			trans	-127.9	153.8	173.8	-146.9	0	0	0	0	109.7	E603 C686 L689 I694	E603-S691 PolarHBondContact OE1-OG 3.25Å; C686-S691 WeakPolarHBondContact CB-O 3.44Å; C686-S691 PolarHBondContact SG-O 3.4Å; L689-S691 VanDerWaalsContact C-N 3.31Å; L689-S691 PolarHBondContact O-N 3.44Å; S691-I694 WeakPolarHBondContact CB-O 3.07Å; S691-I694 PolarHBondContact OG-O 2.85Å
692	S	81.6	Confident	85.2	Confident	15 Å²	15	46.3 Å²	46.3	11%	0.105	25%	0.247	C	C	.	.	S	Bend	trans	-116.8	-55.7	-171.5	-47.9	0	0	0	0	112.8	W585 E603 I665 W682	W585-S692 WeakPolarHBondContact CZ3-OG 3.44Å; E603-S692 PolarHBondContact OE1-N 2.86Å; E603-S692 WeakPolarHBondContact OE2-CB 3.48Å; I665-S692 WeakPolarHBondContact CD1-O 3.29Å; W682-S692 PolarHBondContact NE1-O 2.97Å
693	L	87.9	Confident	85.1	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.021	26%	0.257	C	S	.	.	S	Bend	trans	-98.4	-18.4	-171.1	-55	174.3	0	0	0	113.3	E603 V604 C607 I665 V668 T743 V744	E603-L693 VanDerWaalsContact CD-N 3.3Å; E603-L693 HydrophobicContact CG-CB 4.04Å; E603-L693 HydrophobicContact CG-CD1 4.47Å; E603-L693 HydrophobicContact CG-CG 4.47Å; E603-L693 PolarHBondContact OE1-N 2.81Å; V604-L693 HydrophobicContact CG2-CD1 3.93Å; C607-L693 VanDerWaalsContact SG-CB 3.56Å; I665-L693 HydrophobicContact CD1-CD2 4.07Å; V668-L693 HydrophobicContact CG1-CD2 4.22Å; L693-T743 CarbonylContact O-C 3.56Å; L693-T743 VanDerWaalsContact O-CA 3.27Å; L693-T743 WeakPolarHBondContact O-CA 3.32Å; L693-V744 HydrophobicContact CB-CG1 4.46Å; L693-V744 HydrophobicContact CD2-CG1 4Å; L693-V744 PolarHBondContact O-N 3.47Å
694	I	89.5	Confident	85.5	Confident	23 Å²	23	46.1 Å²	46.1	12%	0.118	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	140.9	-179	-166.3	169.5	0	0	0	111.9	E603 T606 S691 H741 V742	E603-I694 HydrophobicContact CG-CG2 3.96Å; E603-I694 PolarHBondContact OE1-N 3.37Å; T606-I694 HydrophobicContact CG2-CD1 3.58Å; S691-I694 WeakPolarHBondContact CB-O 3.07Å; S691-I694 PolarHBondContact OG-O 2.85Å; I694-H741 HydrophobicContact CD1-CB 3.92Å; I694-H741 HydrophobicContact CG1-CB 3.97Å; I694-V742 WeakPolarHBondContact CA-O 3.43Å; I694-V742 WeakPolarHBondContact CG1-O 3.34Å
695	V	90.9	Very high	85.8	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	155.2	178	-57.2	0	0	0	0	112.4	W682 T685 L689 L700 H741 V742	W682-V695 HydrophobicContact CE3-CG2 4.35Å; W682-V695 HydrophobicContact CH2-CB 4.32Å; W682-V695 HydrophobicContact CH2-CG1 4.14Å; W682-V695 HydrophobicContact CH2-CG2 3.48Å; W682-V695 VanDerWaalsContact CH2-CG2 3.48Å; W682-V695 HydrophobicContact CZ2-CG1 3.9Å; W682-V695 HydrophobicContact CZ2-CG2 4.13Å; W682-V695 HydrophobicContact CZ3-CG2 3.61Å; T685-V695 HydrophobicContact CG2-CB 3.81Å; T685-V695 HydrophobicContact CG2-CG1 3.93Å; T685-V695 HydrophobicContact CG2-CG2 3.83Å; L689-V695 HydrophobicContact CD1-CB 4.48Å; V695-L700 HydrophobicContact CG2-CB 4.08Å; V695-L700 HydrophobicContact CG2-CD2 4.45Å; V695-H741 CarbonylContact O-C 3.58Å; V695-H741 WeakPolarHBondContact O-CA 3.42Å; V695-V742 HydrophobicContact CG2-CG1 3.85Å; V695-V742 PolarHBondContact N-O 2.83Å; V695-V742 PolarHBondContact O-N 3.29Å
696	P	90.7	Very high	85.8	Confident	38 Å²	38	54.5 Å²	54.5	25%	0.247	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	134.9	172.1	-14.8	29.3	0	0	0	111.7	L689 D698 K699 L700	L689-P696 HydrophobicContact CD1-CG 4.27Å; P696-D698 VanDerWaalsContact C-N 3.31Å; P696-D698 PolarHBondContact O-N 2.94Å; P696-K699 HydrophobicContact CB-CG 4.16Å; P696-K699 HydrophobicContact CG-CG 4.24Å; P696-K699 PolarHBondContact O-N 3.1Å; P696-L700 PolarHBondContact O-N 3.45Å
697	K	89.7	Confident	85.9	Confident	12 Å²	12	56.6 Å²	56.6	5%	0.052	29%	0.291	C	S	.	.	H	α-helix	trans	-58.6	-37.2	-175	-75.1	-178.8	177.8	165.8	0	113.5	K699 L700 K701 L731 N732 C739 S740 H741 V742	K697-K699 VanDerWaalsContact C-N 3.3Å; K697-K699 PolarHBondContact O-N 2.85Å; K697-L700 PolarHBondContact O-N 3.49Å; K697-K701 VanDerWaalsContact O-CB 3.26Å; K697-K701 WeakPolarHBondContact O-CB 3.48Å; K697-K701 PolarHBondContact O-N 3.44Å; K697-L731 PolarHBondContact NZ-O 3.45Å; K697-N732 PolarHBondContact NZ-OD1 2.75Å; K697-C739 VanDerWaalsContact CD-O 3.31Å; K697-C739 WeakPolarHBondContact CD-O 2.93Å; K697-C739 VanDerWaalsContact CE-O 3.28Å; K697-C739 WeakPolarHBondContact CE-O 3.37Å; K697-C739 PolarHBondContact NZ-O 2.84Å; K697-S740 PolarHBondContact N-O 3.29Å; K697-H741 VanDerWaalsContact CE-O 3.24Å; K697-H741 WeakPolarHBondContact CE-O 3.49Å; K697-V742 HydrophobicContact CG-CB 4.07Å; K697-V742 HydrophobicContact CG-CG1 3.91Å
698	D	89.3	Confident	86.4	Confident	126 Å²	126	48.5 Å²	48.5	67%	0.674	26%	0.26	S	S	*	.	H	α-helix	trans	-64.3	-32.9	178.2	-69.4	-38.5	0	0	0	113.5	P696 A702	P696-D698 VanDerWaalsContact C-N 3.31Å; P696-D698 PolarHBondContact O-N 2.94Å; D698-A702 PolarHBondContact O-N 3.21Å
699	K	90.6	Very high	86.8	Confident	118 Å²	118	45.1 Å²	45.1	51%	0.513	24%	0.24	S	C	.	.	H	α-helix	trans	-73.4	-43.3	177.2	-57.2	-58.3	-177.5	-173	0	110.2	T685 L689 P696 K697 A702 Q703	T685-K699 HydrophobicContact CG2-CB 3.92Å; L689-K699 HydrophobicContact CD1-CB 4.19Å; L689-K699 HydrophobicContact CD1-CG 4.17Å; L689-K699 HydrophobicContact CD2-CG 4.44Å; P696-K699 HydrophobicContact CB-CG 4.16Å; P696-K699 HydrophobicContact CG-CG 4.24Å; P696-K699 PolarHBondContact O-N 3.1Å; K697-K699 VanDerWaalsContact C-N 3.3Å; K697-K699 PolarHBondContact O-N 2.85Å; K699-A702 PolarHBondContact O-N 2.9Å; K699-Q703 PolarHBondContact O-N 2.85Å
700	L	92.1	Very high	86.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-45.4	174.4	-174.6	66.6	0	0	0	111.5	I681 W682 T685 V695 P696 K697 A702 Q703 I704 L731 V742 F747	I681-L700 HydrophobicContact CG2-CD1 3.7Å; W682-L700 HydrophobicContact CE3-CD1 3.92Å; W682-L700 HydrophobicContact CZ3-CD1 4.16Å; W682-L700 HydrophobicContact CZ3-CD2 4.08Å; T685-L700 HydrophobicContact CG2-CB 4.16Å; T685-L700 HydrophobicContact CG2-CD1 4.41Å; V695-L700 HydrophobicContact CG2-CB 4.08Å; V695-L700 HydrophobicContact CG2-CD2 4.45Å; P696-L700 PolarHBondContact O-N 3.45Å; K697-L700 PolarHBondContact O-N 3.49Å; L700-A702 VanDerWaalsContact C-N 3.28Å; L700-A702 PolarHBondContact O-N 3.3Å; L700-Q703 PolarHBondContact O-N 3.3Å; L700-I704 HydrophobicContact CD1-CD1 4.5Å; L700-I704 HydrophobicContact CD2-CD1 4.27Å; L700-I704 HydrophobicContact CG-CD1 3.8Å; L700-I704 HydrophobicContact CG-CG1 4.28Å; L700-I704 WeakPolarHBondContact O-CG1 3.3Å; L700-I704 PolarHBondContact O-N 2.89Å; L700-L731 HydrophobicContact CD2-CD1 3.96Å; L700-V742 HydrophobicContact CD2-CG1 3.56Å; L700-F747 HydrophobicContact CD1-CD1 4.5Å; L700-F747 HydrophobicContact CD1-CD2 4.44Å; L700-F747 HydrophobicContact CD1-CE1 4.31Å; L700-F747 HydrophobicContact CD1-CE2 4.27Å; L700-F747 HydrophobicContact CD1-CZ 4.21Å; L700-F747 HydrophobicContact CD2-CB 4.42Å; L700-F747 HydrophobicContact CD2-CD2 3.73Å; L700-F747 HydrophobicContact CD2-CE2 4.17Å; L700-F747 HydrophobicContact CD2-CG 4.06Å; L700-F747 HydrophobicContact CG-CD2 4.5Å; L700-F747 HydrophobicContact CG-CE2 4.48Å
701	K	92.4	Very high	87.1	Confident	56 Å²	56	43.2 Å²	43.2	24%	0.243	23%	0.226	C	C	.	.	H	α-helix	trans	-54.6	-41.3	175.7	-176.7	173.8	-178.3	170.5	0	112.6	K697 K705 E725 I728	K697-K701 VanDerWaalsContact O-CB 3.26Å; K697-K701 WeakPolarHBondContact O-CB 3.48Å; K697-K701 PolarHBondContact O-N 3.44Å; K701-K705 VanDerWaalsContact O-CB 3.28Å; K701-K705 WeakPolarHBondContact O-CB 3.17Å; K701-K705 PolarHBondContact O-N 2.92Å; K701-E725 WeakPolarHBondContact CE-OE1 3.41Å; K701-E725 WeakPolarHBondContact CE-OE2 3.41Å; K701-E725 IonicContact NZ-OE1 3.28Å; K701-E725 PolarHBondContact NZ-OE1 3.4Å; K701-E725 IonicContact NZ-OE2 2.66Å; K701-E725 PolarHBondContact NZ-OE2 3.34Å; K701-I728 HydrophobicContact CB-CD1 3.82Å; K701-I728 HydrophobicContact CB-CG1 3.81Å; K701-I728 HydrophobicContact CD-CG1 4.06Å; K701-I728 HydrophobicContact CG-CD1 4.4Å; K701-I728 HydrophobicContact CG-CG1 3.83Å
702	A	88.2	Confident	87	Confident	50 Å²	50	42 Å²	42	41%	0.413	22%	0.217	S	C	.	.	H	α-helix	trans	-64.4	-42.7	175.6	0	0	0	0	0	112	D698 K699 L700 K705 L706	D698-A702 PolarHBondContact O-N 3.21Å; K699-A702 PolarHBondContact O-N 2.9Å; L700-A702 VanDerWaalsContact C-N 3.28Å; L700-A702 PolarHBondContact O-N 3.3Å; A702-K705 PolarHBondContact O-N 3Å; A702-L706 WeakPolarHBondContact O-CG 3.07Å; A702-L706 PolarHBondContact O-N 3.26Å; A702-L706 VanDerWaalsContact O-N 3.08Å
703	Q	88.8	Confident	86.8	Confident	44 Å²	44	46.8 Å²	46.8	21%	0.206	24%	0.238	C	C	.	.	H	α-helix	trans	-70.9	-42.4	178	-63.3	-61.7	0.6	0	0	112.9	I681 S684 T685 K699 L700 K705 L706 Q707	I681-Q703 HydrophobicContact CG2-CB 4.27Å; S684-Q703 PolarHBondContact O-NE2 3.3Å; T685-Q703 VanDerWaalsContact OG1-CG 3.31Å; T685-Q703 WeakPolarHBondContact OG1-CG 3.45Å; K699-Q703 PolarHBondContact O-N 2.85Å; L700-Q703 PolarHBondContact O-N 3.3Å; Q703-K705 VanDerWaalsContact C-N 3.32Å; Q703-K705 PolarHBondContact O-N 2.88Å; Q703-L706 PolarHBondContact O-N 3.21Å; Q703-Q707 WeakPolarHBondContact O-CG 3.5Å; Q703-Q707 PolarHBondContact O-N 2.94Å
704	I	91.4	Very high	85.9	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-52	-53.8	170.3	-70	165.7	0	0	0	109.2	I681 L700 L706 Q707 I708 A724 I727 I728 F747	I681-I704 HydrophobicContact CG2-CG1 3.79Å; L700-I704 HydrophobicContact CD1-CD1 4.5Å; L700-I704 HydrophobicContact CD2-CD1 4.27Å; L700-I704 HydrophobicContact CG-CD1 3.8Å; L700-I704 HydrophobicContact CG-CG1 4.28Å; L700-I704 WeakPolarHBondContact O-CG1 3.3Å; L700-I704 PolarHBondContact O-N 2.89Å; I704-L706 VanDerWaalsContact C-N 3.32Å; I704-L706 PolarHBondContact O-N 2.82Å; I704-Q707 PolarHBondContact O-N 3.04Å; I704-Q707 VanDerWaalsContact O-N 3.17Å; I704-I708 HydrophobicContact CG2-CD1 4.14Å; I704-I708 HydrophobicContact CG2-CG2 4.23Å; I704-I708 WeakPolarHBondContact O-CG1 3.28Å; I704-I708 WeakPolarHBondContact O-CG2 3.48Å; I704-I708 PolarHBondContact O-N 2.93Å; I704-A724 HydrophobicContact CG2-CB 4.11Å; I704-I727 HydrophobicContact CD1-CG2 3.84Å; I704-I727 HydrophobicContact CG2-CB 4.47Å; I704-I727 HydrophobicContact CG2-CD1 3.61Å; I704-I728 HydrophobicContact CD1-CD1 3.91Å; I704-F747 HydrophobicContact CD1-CE2 3.94Å; I704-F747 HydrophobicContact CG1-CE2 4.2Å; I704-F747 HydrophobicContact CG1-CZ 4.48Å
705	K	90.4	Very high	84.7	Confident	95 Å²	95	55.8 Å²	55.8	41%	0.413	28%	0.281	S	S	.	.	H	α-helix	trans	-58.1	-40.7	-178.6	-179.9	172.2	173.5	169.7	0	112.9	K701 A702 Q703 A709 V720 S721 A724	K701-K705 VanDerWaalsContact O-CB 3.28Å; K701-K705 WeakPolarHBondContact O-CB 3.17Å; K701-K705 PolarHBondContact O-N 2.92Å; A702-K705 PolarHBondContact O-N 3Å; Q703-K705 VanDerWaalsContact C-N 3.32Å; Q703-K705 PolarHBondContact O-N 2.88Å; K705-A709 WeakPolarHBondContact O-CB 3.43Å; K705-A709 PolarHBondContact O-N 3.49Å; K705-V720 HydrophobicContact CG-CG1 4.05Å; K705-S721 WeakPolarHBondContact CE-OG 3.45Å; K705-S721 PolarHBondContact NZ-OG 2.95Å; K705-A724 HydrophobicContact CB-CB 3.98Å
706	L	84.3	Confident	83.9	Confident	120 Å²	120	56.9 Å²	56.9	63%	0.628	29%	0.285	S	S	*	.	H	α-helix	trans	-65.4	-45.2	176.9	-73.3	169	0	0	0	111.6	A702 Q703 I704	A702-L706 WeakPolarHBondContact O-CG 3.07Å; A702-L706 PolarHBondContact O-N 3.26Å; A702-L706 VanDerWaalsContact O-N 3.08Å; Q703-L706 PolarHBondContact O-N 3.21Å; I704-L706 VanDerWaalsContact C-N 3.32Å; I704-L706 PolarHBondContact O-N 2.82Å
707	Q	85.1	Confident	82.8	Confident	45 Å²	45	58.8 Å²	58.8	21%	0.21	30%	0.298	C	S	.	.	H	α-helix	trans	-73.7	-39.7	-176	-67.8	-69.6	7.1	0	0	112.5	E680 I681 Q703 I704 A709 H710	E680-Q707 PolarHBondContact OE1-NE2 2.87Å; I681-Q707 HydrophobicContact CD1-CB 4.12Å; I681-Q707 HydrophobicContact CG1-CB 3.76Å; I681-Q707 HydrophobicContact CG1-CG 3.67Å; Q703-Q707 WeakPolarHBondContact O-CG 3.5Å; Q703-Q707 PolarHBondContact O-N 2.94Å; I704-Q707 PolarHBondContact O-N 3.04Å; I704-Q707 VanDerWaalsContact O-N 3.17Å; Q707-A709 VanDerWaalsContact C-N 3.34Å; Q707-A709 PolarHBondContact O-N 2.87Å; Q707-H710 PolarHBondContact O-CE1 2.81Å; Q707-H710 PolarHBondContact O-ND1 2.99Å
708	I	87	Confident	82.4	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-78.8	-14.2	179.8	75	176.2	0	0	0	114.1	I704 H710 I711 T712 V720 V723 A724 I727 F756 I760	I704-I708 HydrophobicContact CG2-CD1 4.14Å; I704-I708 HydrophobicContact CG2-CG2 4.23Å; I704-I708 WeakPolarHBondContact O-CG1 3.28Å; I704-I708 WeakPolarHBondContact O-CG2 3.48Å; I704-I708 PolarHBondContact O-N 2.93Å; I708-H710 VanDerWaalsContact C-N 3.31Å; I708-H710 PolarHBondContact O-N 3.03Å; I708-I711 PolarHBondContact O-N 3.01Å; I708-T712 PolarHBondContact O-N 3.12Å; I708-T712 PolarHBondContact O-OG1 3.32Å; I708-V720 HydrophobicContact CD1-CG1 4.44Å; I708-V720 HydrophobicContact CG1-CG1 3.93Å; I708-V723 HydrophobicContact CD1-CB 3.97Å; I708-V723 HydrophobicContact CD1-CG1 3.74Å; I708-A724 HydrophobicContact CD1-CB 3.98Å; I708-I727 HydrophobicContact CD1-CD1 4.2Å; I708-I727 HydrophobicContact CG2-CD1 4.48Å; I708-F756 HydrophobicContact CG2-CE1 4.45Å; I708-F756 HydrophobicContact CG2-CZ 3.94Å; I708-I760 HydrophobicContact CB-CG2 3.86Å; I708-I760 HydrophobicContact CG2-CD1 3.72Å; I708-I760 HydrophobicContact CG2-CG1 3.95Å; I708-I760 HydrophobicContact CG2-CG2 4.08Å
709	A	83.4	Confident	82.1	Confident	22 Å²	22	61.6 Å²	61.6	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-54.8	-45.9	-175.1	0	0	0	0	0	112.6	K705 Q707 I711 T712 E713 V720	K705-A709 WeakPolarHBondContact O-CB 3.43Å; K705-A709 PolarHBondContact O-N 3.49Å; Q707-A709 VanDerWaalsContact C-N 3.34Å; Q707-A709 PolarHBondContact O-N 2.87Å; A709-I711 PolarHBondContact O-N 3.43Å; A709-T712 PolarHBondContact O-N 2.92Å; A709-E713 VanDerWaalsContact O-CB 3.3Å; A709-E713 WeakPolarHBondContact O-CB 3.19Å; A709-E713 VanDerWaalsContact O-CG 3.31Å; A709-E713 WeakPolarHBondContact O-CG 3.47Å; A709-E713 PolarHBondContact O-N 3.11Å; A709-V720 HydrophobicContact CB-CG1 3.95Å
710	H	79.2	Confident	81.9	Confident	99 Å²	99	56.2 Å²	56.2	46%	0.458	28%	0.284	S	S	.	.	H	α-helix	trans	-66.1	-21.7	-178	78.8	-84.6	0	0	0	113.6	Q707 I708 Q714	Q707-H710 PolarHBondContact O-CE1 2.81Å; Q707-H710 PolarHBondContact O-ND1 2.99Å; I708-H710 VanDerWaalsContact C-N 3.31Å; I708-H710 PolarHBondContact O-N 3.03Å; H710-Q714 WeakPolarHBondContact O-CG 3.35Å; H710-Q714 PolarHBondContact O-NE2 3.11Å
711	I	78.2	Confident	81.8	Confident	9 Å²	9	58.9 Å²	58.9	5%	0.046	30%	0.303	C	S	.	.	H	α-helix	trans	-83.3	-58.6	175.1	-54.6	164.2	0	0	0	108.2	I708 A709 E713 Q714 F756 E757 I760 E761	I708-I711 PolarHBondContact O-N 3.01Å; A709-I711 PolarHBondContact O-N 3.43Å; I711-E713 PolarHBondContact O-N 3.5Å; I711-Q714 PolarHBondContact O-N 2.98Å; I711-F756 HydrophobicContact CD1-CD1 4.19Å; I711-F756 HydrophobicContact CD1-CE1 3.84Å; I711-E757 HydrophobicContact CD1-CB 4.25Å; I711-E757 HydrophobicContact CD1-CG 4.08Å; I711-I760 HydrophobicContact CB-CG2 4.02Å; I711-I760 HydrophobicContact CD1-CB 4.21Å; I711-I760 HydrophobicContact CD1-CG1 4.34Å; I711-I760 HydrophobicContact CD1-CG2 4.08Å; I711-I760 HydrophobicContact CG2-CB 4.28Å; I711-I760 HydrophobicContact CG2-CG2 3.86Å; I711-E761 HydrophobicContact CG2-CG 3.61Å
712	T	76.1	Confident	81.6	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-68	-37.9	-171.5	-53	0	0	0	0	112.9	I708 A709 Q714 I715 Y716 L719 V720 V723	I708-T712 PolarHBondContact O-N 3.12Å; I708-T712 PolarHBondContact O-OG1 3.32Å; A709-T712 PolarHBondContact O-N 2.92Å; T712-Q714 VanDerWaalsContact C-N 3.28Å; T712-Q714 PolarHBondContact O-N 3.45Å; T712-I715 PolarHBondContact O-N 3.22Å; T712-Y716 CarbonylContact O-C 3.47Å; T712-Y716 VanDerWaalsContact O-C 3.27Å; T712-Y716 VanDerWaalsContact O-CA 3.3Å; T712-Y716 WeakPolarHBondContact O-CA 3.46Å; T712-Y716 PolarHBondContact O-N 2.77Å; T712-L719 HydrophobicContact CG2-CB 4.25Å; T712-V720 HydrophobicContact CG2-CG2 4.3Å; T712-V723 HydrophobicContact CG2-CG2 3.91Å
713	E	77.4	Confident	81.5	Confident	117 Å²	117	58 Å²	58	55%	0.547	29%	0.288	S	S	.	.	H	α-helix	trans	-68.7	-22.8	-177.8	-67.1	-171.2	163.2	0	0	114	A709 I711 I715 V720	A709-E713 VanDerWaalsContact O-CB 3.3Å; A709-E713 WeakPolarHBondContact O-CB 3.19Å; A709-E713 VanDerWaalsContact O-CG 3.31Å; A709-E713 WeakPolarHBondContact O-CG 3.47Å; A709-E713 PolarHBondContact O-N 3.11Å; I711-E713 PolarHBondContact O-N 3.5Å; E713-I715 VanDerWaalsContact C-N 3.28Å; E713-I715 PolarHBondContact O-N 2.75Å; E713-V720 HydrophobicContact CG-CG2 3.26Å
714	Q	70	Confident	81.5	Confident	145 Å²	145	56 Å²	56	68%	0.678	28%	0.278	S	S	*	.	H	α-helix	trans	-67.9	-29.4	178.2	-72	-173.6	61.1	0	0	112.9	H710 I711 T712	H710-Q714 WeakPolarHBondContact O-CG 3.35Å; H710-Q714 PolarHBondContact O-NE2 3.11Å; I711-Q714 PolarHBondContact O-N 2.98Å; T712-Q714 VanDerWaalsContact C-N 3.28Å; T712-Q714 PolarHBondContact O-N 3.45Å
715	I	63.2	Low	81.4	Confident	71 Å²	71	59.7 Å²	59.7	36%	0.364	30%	0.295	S	S	.	.	H	α-helix	trans	-113.2	-39.1	-174.7	-48.6	179.4	0	0	0	110.7	T712 E713 E761	T712-I715 PolarHBondContact O-N 3.22Å; E713-I715 VanDerWaalsContact C-N 3.28Å; E713-I715 PolarHBondContact O-N 2.75Å; I715-E761 HydrophobicContact CD1-CG 3.95Å
716	Y	75.4	Confident	81.2	Confident	24 Å²	24	56.9 Å²	56.9	9%	0.094	29%	0.287	C	S	.	.			trans	-132.4	68.9	-171.2	-68	-62.6	0	0	0	112.1	T712 H718 L719 H765 W768	T712-Y716 CarbonylContact O-C 3.47Å; T712-Y716 VanDerWaalsContact O-C 3.27Å; T712-Y716 VanDerWaalsContact O-CA 3.3Å; T712-Y716 WeakPolarHBondContact O-CA 3.46Å; T712-Y716 PolarHBondContact O-N 2.77Å; Y716-H718 PolarHBondContact O-N 2.84Å; Y716-L719 HydrophobicContact CD1-CD1 3.95Å; Y716-L719 HydrophobicContact CG-CD1 4.02Å; Y716-L719 PolarHBondContact O-N 3.03Å; Y716-H765 HydrophobicContact CE2-CB 4.46Å; Y716-H765 AromaticContact CE2-CE1 3.77Å; Y716-H765 AromaticContact CE2-CG 3.92Å; Y716-H765 AromaticContact CE2-ND1 3.43Å; Y716-H765 WeakPolarHBondContact CE2-ND1 3.06Å; Y716-H765 AromaticContact CZ-ND1 3.49Å; Y716-H765 PolarHBondContact OH-CE1 3.26Å; Y716-H765 PolarHBondContact OH-ND1 3.28Å; Y716-W768 HydrophobicContact CD1-CB 3.84Å; Y716-W768 AromaticContact CD1-CD1 3.78Å; Y716-W768 AromaticContact CD1-CG 3.89Å; Y716-W768 HydrophobicContact CD1-CG 3.89Å; Y716-W768 HydrophobicContact CE1-CB 3.45Å; Y716-W768 VanDerWaalsContact CE1-CB 3.45Å; Y716-W768 AromaticContact CE1-CD1 3.46Å; Y716-W768 VanDerWaalsContact CE1-CD1 3.46Å; Y716-W768 AromaticContact CE1-CD2 3.95Å; Y716-W768 HydrophobicContact CE1-CD2 3.95Å; Y716-W768 AromaticContact CE1-CG 3.28Å; Y716-W768 HydrophobicContact CE1-CG 3.28Å; Y716-W768 AromaticContact CZ-CG 4Å
717	P	66.9	Low	81.4	Confident	78 Å²	78	51.1 Å²	51.1	51%	0.506	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	136.3	170.6	24.5	-34.1	0	0	0	109.6
718	H	80.8	Confident	81.5	Confident	174 Å²	174	49.3 Å²	49.3	81%	0.806	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	-16.2	-173.3	-39.9	-59.6	0	0	0	117.7	Y716	Y716-H718 PolarHBondContact O-N 2.84Å
719	L	83.8	Confident	81.4	Confident	22 Å²	22	52.7 Å²	52.7	12%	0.115	27%	0.272	C	S	.	.			trans	-85.1	-8.8	-179	-63.4	-171.1	0	0	0	115.3	T712 Y716 S721 R722 V723 A767 W768	T712-L719 HydrophobicContact CG2-CB 4.25Å; Y716-L719 HydrophobicContact CD1-CD1 3.95Å; Y716-L719 HydrophobicContact CG-CD1 4.02Å; Y716-L719 PolarHBondContact O-N 3.03Å; L719-S721 PolarHBondContact O-N 2.86Å; L719-S721 VanDerWaalsContact O-N 3.1Å; L719-R722 WeakPolarHBondContact O-CA 3.43Å; L719-R722 PolarHBondContact O-N 3.11Å; L719-V723 HydrophobicContact CB-CG2 4.49Å; L719-V723 PolarHBondContact O-N 3.36Å; L719-A767 HydrophobicContact CD1-CB 4.43Å; L719-W768 HydrophobicContact CD1-CB 3.58Å; L719-W768 HydrophobicContact CD1-CG 4.44Å
720	V	86.3	Confident	81.4	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.03	28%	0.282	C	S	.	.	H	α-helix	trans	-47.5	-45	-179.9	-164.8	0	0	0	0	112.9	K705 I708 A709 T712 E713 V723 A724	K705-V720 HydrophobicContact CG-CG1 4.05Å; I708-V720 HydrophobicContact CD1-CG1 4.44Å; I708-V720 HydrophobicContact CG1-CG1 3.93Å; A709-V720 HydrophobicContact CB-CG1 3.95Å; T712-V720 HydrophobicContact CG2-CG2 4.3Å; E713-V720 HydrophobicContact CG-CG2 3.26Å; V720-V723 PolarHBondContact O-N 3.3Å; V720-A724 WeakPolarHBondContact O-CB 3.36Å; V720-A724 PolarHBondContact O-N 3Å
721	S	89.6	Confident	81.5	Confident	57 Å²	57	50.5 Å²	50.5	40%	0.399	26%	0.26	S	S	.	.	H	α-helix	trans	-68.3	-35.3	-180	-50.4	0	0	0	0	112.2	K705 L719 E725	K705-S721 WeakPolarHBondContact CE-OG 3.45Å; K705-S721 PolarHBondContact NZ-OG 2.95Å; L719-S721 PolarHBondContact O-N 2.86Å; L719-S721 VanDerWaalsContact O-N 3.1Å; S721-E725 WeakPolarHBondContact O-CB 3.49Å; S721-E725 PolarHBondContact O-N 2.92Å
722	R	87.9	Confident	81.3	Confident	88 Å²	88	53 Å²	53	33%	0.332	27%	0.274	S	S	.	.	H	α-helix	trans	-71.9	-40.9	177.1	-169.6	171.5	-177.1	147.5	9.1	110.9	L719 E725 S726 A767 V770 T771 D774	L719-R722 WeakPolarHBondContact O-CA 3.43Å; L719-R722 PolarHBondContact O-N 3.11Å; R722-E725 WeakPolarHBondContact O-CB 3.47Å; R722-E725 PolarHBondContact O-N 3.21Å; R722-S726 PolarHBondContact O-N 2.76Å; R722-S726 PolarHBondContact O-OG 3Å; R722-S726 VanDerWaalsContact O-OG 3.14Å; R722-A767 HydrophobicContact CG-CB 4.12Å; R722-V770 VanDerWaalsContact NH2-CG1 3.28Å; R722-T771 WeakPolarHBondContact CD-OG1 3.43Å; R722-T771 PolarHBondContact NH1-OG1 2.86Å; R722-D774 IonicContact CZ-OD2 2.7Å; R722-D774 IonicContact NH1-OD2 3.48Å; R722-D774 PolarHBondContact NH1-OD2 2.81Å; R722-D774 IonicContact NH2-OD2 3.96Å; R722-D774 PolarHBondContact NH2-OD2 3.36Å
723	V	86.2	Confident	81	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-42.8	175	-178.8	0	0	0	0	111.3	I708 T712 L719 V720 E725 S726 I727 I760 M763 A767	I708-V723 HydrophobicContact CD1-CB 3.97Å; I708-V723 HydrophobicContact CD1-CG1 3.74Å; T712-V723 HydrophobicContact CG2-CG2 3.91Å; L719-V723 HydrophobicContact CB-CG2 4.49Å; L719-V723 PolarHBondContact O-N 3.36Å; V720-V723 PolarHBondContact O-N 3.3Å; V723-E725 VanDerWaalsContact C-N 3.31Å; V723-E725 PolarHBondContact O-N 2.96Å; V723-S726 WeakPolarHBondContact O-CB 3.42Å; V723-S726 PolarHBondContact O-N 3.2Å; V723-I727 HydrophobicContact CG1-CD1 4.47Å; V723-I727 WeakPolarHBondContact O-CG1 3.37Å; V723-I727 PolarHBondContact O-N 2.88Å; V723-I727 VanDerWaalsContact O-N 3.1Å; V723-I760 HydrophobicContact CG1-CG2 4.46Å; V723-M763 HydrophobicContact CG1-CB 3.84Å; V723-A767 HydrophobicContact CG2-CB 4.17Å
724	A	89.8	Confident	80.2	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-38	173.4	0	0	0	0	0	111.9	I704 K705 I708 V720 I727 I728	I704-A724 HydrophobicContact CG2-CB 4.11Å; K705-A724 HydrophobicContact CB-CB 3.98Å; I708-A724 HydrophobicContact CD1-CB 3.98Å; V720-A724 WeakPolarHBondContact O-CB 3.36Å; V720-A724 PolarHBondContact O-N 3Å; A724-I727 PolarHBondContact O-N 3.45Å; A724-I728 WeakPolarHBondContact O-CG1 3.38Å; A724-I728 PolarHBondContact O-N 3.17Å
725	E	88.6	Confident	80.1	Confident	79 Å²	79	44.4 Å²	44.4	37%	0.369	25%	0.245	S	C	.	.	H	α-helix	trans	-61.8	-47.6	171.6	-158.9	71.6	-101.7	0	0	111.3	K701 S721 R722 V723 I727 I728 C729	K701-E725 WeakPolarHBondContact CE-OE1 3.41Å; K701-E725 WeakPolarHBondContact CE-OE2 3.41Å; K701-E725 IonicContact NZ-OE1 3.28Å; K701-E725 PolarHBondContact NZ-OE1 3.4Å; K701-E725 IonicContact NZ-OE2 2.66Å; K701-E725 PolarHBondContact NZ-OE2 3.34Å; S721-E725 WeakPolarHBondContact O-CB 3.49Å; S721-E725 PolarHBondContact O-N 2.92Å; R722-E725 WeakPolarHBondContact O-CB 3.47Å; R722-E725 PolarHBondContact O-N 3.21Å; V723-E725 VanDerWaalsContact C-N 3.31Å; V723-E725 PolarHBondContact O-N 2.96Å; E725-I727 VanDerWaalsContact C-N 3.28Å; E725-I727 PolarHBondContact O-N 3.18Å; E725-I728 CarbonylContact O-C 3.48Å; E725-I728 WeakPolarHBondContact O-CA 3.38Å; E725-I728 PolarHBondContact O-N 3.31Å; E725-C729 PolarHBondContact O-N 3.47Å; E725-C729 PolarHBondContact O-SG 3.1Å; E725-C729 VanDerWaalsContact O-SG 3.34Å
726	S	86	Confident	80.4	Confident	35 Å²	35	41.6 Å²	41.6	25%	0.245	23%	0.23	C	C	.	.	H	α-helix	trans	-56.3	-38.8	178	-64.5	0	0	0	0	112.8	R722 V723 C729 L730	R722-S726 PolarHBondContact O-N 2.76Å; R722-S726 PolarHBondContact O-OG 3Å; R722-S726 VanDerWaalsContact O-OG 3.14Å; V723-S726 WeakPolarHBondContact O-CB 3.42Å; V723-S726 PolarHBondContact O-N 3.2Å; S726-C729 WeakPolarHBondContact O-CB 3.35Å; S726-C729 PolarHBondContact O-N 3.18Å; S726-L730 WeakPolarHBondContact O-CG 3.46Å; S726-L730 PolarHBondContact O-N 3.34Å; S726-L730 VanDerWaalsContact O-N 3.1Å
727	I	88	Confident	79.8	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.4	-38.9	174.7	-61.3	162.2	0	0	0	111.3	I704 I708 V723 A724 E725 L730 L731 F751 I760 M763	I704-I727 HydrophobicContact CD1-CG2 3.84Å; I704-I727 HydrophobicContact CG2-CB 4.47Å; I704-I727 HydrophobicContact CG2-CD1 3.61Å; I708-I727 HydrophobicContact CD1-CD1 4.2Å; I708-I727 HydrophobicContact CG2-CD1 4.48Å; V723-I727 HydrophobicContact CG1-CD1 4.47Å; V723-I727 WeakPolarHBondContact O-CG1 3.37Å; V723-I727 PolarHBondContact O-N 2.88Å; V723-I727 VanDerWaalsContact O-N 3.1Å; A724-I727 PolarHBondContact O-N 3.45Å; E725-I727 VanDerWaalsContact C-N 3.28Å; E725-I727 PolarHBondContact O-N 3.18Å; I727-L730 PolarHBondContact O-N 2.76Å; I727-L731 PolarHBondContact O-N 3.26Å; I727-F751 HydrophobicContact CG2-CE2 4.36Å; I727-F751 HydrophobicContact CG2-CZ 4.01Å; I727-I760 HydrophobicContact CD1-CD1 3.63Å; I727-M763 HydrophobicContact CB-CE 4.46Å; I727-M763 HydrophobicContact CD1-SD 4.39Å; I727-M763 HydrophobicContact CG1-CE 3.57Å; I727-M763 HydrophobicContact CG1-SD 3.71Å
728	I	88.6	Confident	79.7	Confident	7 Å²	7	49.7 Å²	49.7	4%	0.036	27%	0.265	C	S	.	.	H	α-helix	trans	-71.1	-31.3	175	-63.2	-64.4	0	0	0	111.8	K701 I704 A724 E725 L730 L731 N732	K701-I728 HydrophobicContact CB-CD1 3.82Å; K701-I728 HydrophobicContact CB-CG1 3.81Å; K701-I728 HydrophobicContact CD-CG1 4.06Å; K701-I728 HydrophobicContact CG-CD1 4.4Å; K701-I728 HydrophobicContact CG-CG1 3.83Å; I704-I728 HydrophobicContact CD1-CD1 3.91Å; A724-I728 WeakPolarHBondContact O-CG1 3.38Å; A724-I728 PolarHBondContact O-N 3.17Å; E725-I728 CarbonylContact O-C 3.48Å; E725-I728 WeakPolarHBondContact O-CA 3.38Å; E725-I728 PolarHBondContact O-N 3.31Å; I728-L730 VanDerWaalsContact C-N 3.34Å; I728-L731 HydrophobicContact CD1-CD1 4.17Å; I728-L731 CarbonylContact O-C 3.58Å; I728-L731 WeakPolarHBondContact O-CA 3.23Å; I728-L731 WeakPolarHBondContact O-CB 3.28Å; I728-L731 PolarHBondContact O-N 3.23Å; I728-L731 VanDerWaalsContact O-N 3.11Å; I728-N732 PolarHBondContact O-N 3.25Å; I728-N732 VanDerWaalsContact O-N 3.12Å
729	C	84	Confident	79.5	Confident	71 Å²	71	43.3 Å²	43.3	48%	0.48	24%	0.24	S	C	.	.	H	α-helix	trans	-64.6	-37.2	172.5	-70.4	0	0	0	0	111.9	E725 S726 L731 N732	E725-C729 PolarHBondContact O-N 3.47Å; E725-C729 PolarHBondContact O-SG 3.1Å; E725-C729 VanDerWaalsContact O-SG 3.34Å; S726-C729 WeakPolarHBondContact O-CB 3.35Å; S726-C729 PolarHBondContact O-N 3.18Å; C729-L731 PolarHBondContact O-N 2.86Å; C729-N732 CarbonylContact O-C 3.59Å; C729-N732 VanDerWaalsContact O-C 3.27Å; C729-N732 WeakPolarHBondContact O-CA 3.4Å; C729-N732 PolarHBondContact O-N 2.96Å
730	L	82.9	Confident	79.6	Confident	74 Å²	74	46.2 Å²	46.2	39%	0.387	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-28.1	171.8	-65.7	168.9	0	0	0	112.3	S726 I727 I728 I750 Y759 M763	S726-L730 WeakPolarHBondContact O-CG 3.46Å; S726-L730 PolarHBondContact O-N 3.34Å; S726-L730 VanDerWaalsContact O-N 3.1Å; I727-L730 PolarHBondContact O-N 2.76Å; I728-L730 VanDerWaalsContact C-N 3.34Å; L730-I750 HydrophobicContact CB-CD1 3.71Å; L730-I750 HydrophobicContact CB-CG1 4.33Å; L730-I750 HydrophobicContact CD1-CG2 4.04Å; L730-Y759 WeakPolarHBondContact CD1-OH 3.39Å; L730-M763 HydrophobicContact CD1-CE 3.82Å
731	L	81.1	Confident	79.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-4.9	171.9	-66.3	172.9	0	0	0	114.5	K697 L700 I727 I728 C729 V742 H746 F747 I750	K697-L731 PolarHBondContact NZ-O 3.45Å; L700-L731 HydrophobicContact CD2-CD1 3.96Å; I727-L731 PolarHBondContact O-N 3.26Å; I728-L731 HydrophobicContact CD1-CD1 4.17Å; I728-L731 CarbonylContact O-C 3.58Å; I728-L731 WeakPolarHBondContact O-CA 3.23Å; I728-L731 WeakPolarHBondContact O-CB 3.28Å; I728-L731 PolarHBondContact O-N 3.23Å; I728-L731 VanDerWaalsContact O-N 3.11Å; C729-L731 PolarHBondContact O-N 2.86Å; L731-V742 HydrophobicContact CD1-CG2 3.98Å; L731-V742 HydrophobicContact CD2-CG2 3.67Å; L731-V742 HydrophobicContact CG-CG2 4.36Å; L731-H746 HydrophobicContact CD2-CB 4.48Å; L731-F747 HydrophobicContact CD1-CD2 4.36Å; L731-I750 HydrophobicContact CD1-CD1 4.49Å; L731-I750 HydrophobicContact CD2-CD1 3.36Å; L731-I750 HydrophobicContact CD2-CG1 4.4Å; L731-I750 HydrophobicContact CG-CD1 3.5Å
732	N	75.3	Confident	79.9	Confident	63 Å²	63	46.9 Å²	46.9	34%	0.337	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	43.1	174.8	-71.3	-24.5	0	0	0	109.3	K697 I728 C729	K697-N732 PolarHBondContact NZ-OD1 2.75Å; I728-N732 PolarHBondContact O-N 3.25Å; I728-N732 VanDerWaalsContact O-N 3.12Å; C729-N732 CarbonylContact O-C 3.59Å; C729-N732 VanDerWaalsContact O-C 3.27Å; C729-N732 WeakPolarHBondContact O-CA 3.4Å; C729-N732 PolarHBondContact O-N 2.96Å
733	D	68.7	Low	80.1	Confident	21 Å²	21	42.7 Å²	42.7	11%	0.112	24%	0.242	C	C	.	.			trans	-59.9	171.3	-179.4	70.1	17.1	0	0	0	112.6	R614 R641 V735 Q736 K737	R614-D733 IonicContact CZ-OD2 3.47Å; R614-D733 IonicContact NH1-OD1 2.86Å; R614-D733 PolarHBondContact NH1-OD1 2.93Å; R614-D733 IonicContact NH1-OD2 2.77Å; R614-D733 PolarHBondContact NH1-OD2 2.85Å; R614-D733 IonicContact NH2-OD2 3.38Å; R614-D733 PolarHBondContact NH2-OD2 2.93Å; R641-D733 IonicContact NH1-OD1 3.48Å; R641-D733 IonicContact NH1-OD2 3.51Å; R641-D733 PolarHBondContact NH1-OD2 2.78Å; D733-V735 PolarHBondContact O-N 3.35Å; D733-V735 WeakPolarHBondContact OD1-CA 3.46Å; D733-V735 WeakPolarHBondContact OD1-CB 3.47Å; D733-V735 PolarHBondContact OD1-N 3.34Å; D733-Q736 CarbonylContact O-C 3.56Å; D733-Q736 PolarHBondContact O-N 3.44Å; D733-Q736 WeakPolarHBondContact OD1-CB 3.42Å; D733-Q736 PolarHBondContact OD1-N 3.03Å; D733-K737 PolarHBondContact O-N 3.41Å
734	A	61.9	Low	80.4	Confident	61 Å²	61	42.7 Å²	42.7	50%	0.504	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-24.3	179.5	0	0	0	0	0	114.7
735	V	67.7	Low	80.5	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.012	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-24.2	-177.9	166.2	0	0	0	0	110.8	R614 K617 M638 D733	R614-V735 HydrophobicContact CB-CG1 3.78Å; R614-V735 HydrophobicContact CG-CG1 4.02Å; R614-V735 WeakPolarHBondContact O-CG1 3.22Å; K617-V735 HydrophobicContact CB-CG1 4Å; K617-V735 HydrophobicContact CD-CG1 4.49Å; K617-V735 WeakPolarHBondContact CD-O 3.34Å; K617-V735 PolarHBondContact NZ-O 3.22Å; M638-V735 HydrophobicContact SD-CG2 4.09Å; D733-V735 PolarHBondContact O-N 3.35Å; D733-V735 WeakPolarHBondContact OD1-CA 3.46Å; D733-V735 WeakPolarHBondContact OD1-CB 3.47Å; D733-V735 PolarHBondContact OD1-N 3.34Å
736	Q	68.7	Low	80.6	Confident	12 Å²	12	40.2 Å²	40.2	6%	0.056	23%	0.231	C	C	.	.			trans	-133.5	41.5	-172.6	-156.1	157.1	38	0	0	115	Y610 R614 D733 C739 H746	Y610-Q736 VanDerWaalsContact CD2-NE2 3.34Å; Y610-Q736 VanDerWaalsContact CE1-OE1 3.32Å; Y610-Q736 PolarHBondContact OH-OE1 2.72Å; R614-Q736 VanDerWaalsContact CD-OE1 3.24Å; D733-Q736 CarbonylContact O-C 3.56Å; D733-Q736 PolarHBondContact O-N 3.44Å; D733-Q736 WeakPolarHBondContact OD1-CB 3.42Å; D733-Q736 PolarHBondContact OD1-N 3.03Å; Q736-C739 HydrophobicContact CG-CB 3.79Å; Q736-H746 PolarHBondContact OE1-CE1 3.04Å; Q736-H746 PolarHBondContact OE1-ND1 3.36Å
737	K	63.3	Low	80.9	Confident	108 Å²	108	38.6 Å²	38.6	47%	0.47	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	138.6	157.3	-64.1	172.8	179.3	166.8	0	109.5	D733 C739 D844	D733-K737 PolarHBondContact O-N 3.41Å; K737-C739 PolarHBondContact O-N 3.08Å; K737-D844 IonicContact NZ-OD2 3.32Å
738	D	65.6	Low	81.1	Confident	163 Å²	163	38.8 Å²	38.8	87%	0.872	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.3	6.9	170.2	-44.6	-48.7	0	0	0	119.8
739	C	76	Confident	80.9	Confident	41 Å²	41	40.1 Å²	40.1	28%	0.277	24%	0.236	S	C	.	.			trans	-81.5	122.7	172.3	-169.1	0	0	0	0	112.4	K697 Q736 K737 H741	K697-C739 VanDerWaalsContact CD-O 3.31Å; K697-C739 WeakPolarHBondContact CD-O 2.93Å; K697-C739 VanDerWaalsContact CE-O 3.28Å; K697-C739 WeakPolarHBondContact CE-O 3.37Å; K697-C739 PolarHBondContact NZ-O 2.84Å; Q736-C739 HydrophobicContact CG-CB 3.79Å; K737-C739 PolarHBondContact O-N 3.08Å; C739-H741 VanDerWaalsContact C-N 3.33Å; C739-H741 PolarHBondContact O-N 3.31Å; C739-H741 PolarHBondContact SG-O 3.42Å; C739-H741 VanDerWaalsContact SG-O 3.41Å
740	S	86.1	Confident	81	Confident	82 Å²	82	37.8 Å²	37.8	57%	0.573	22%	0.218	S	C	*	.	S	Bend	trans	-74.8	-15.4	-180	55.3	0	0	0	0	115.2	K697	K697-S740 PolarHBondContact N-O 3.29Å
741	H	88.9	Confident	81	Confident	76 Å²	76	34.7 Å²	34.7	35%	0.352	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	166	-177.1	-67.3	76.3	0	0	0	111.5	Y610 I694 V695 K697 C739	Y610-H741 WeakPolarHBondContact CE2-O 3.44Å; I694-H741 HydrophobicContact CD1-CB 3.92Å; I694-H741 HydrophobicContact CG1-CB 3.97Å; V695-H741 CarbonylContact O-C 3.58Å; V695-H741 WeakPolarHBondContact O-CA 3.42Å; K697-H741 VanDerWaalsContact CE-O 3.24Å; K697-H741 WeakPolarHBondContact CE-O 3.49Å; C739-H741 VanDerWaalsContact C-N 3.33Å; C739-H741 PolarHBondContact O-N 3.31Å; C739-H741 PolarHBondContact SG-O 3.42Å; C739-H741 VanDerWaalsContact SG-O 3.41Å
742	V	92.1	Very high	80.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	143.8	177.9	55.6	0	0	0	0	110.3	Y610 W682 I694 V695 K697 L700 L731 H746 F747	Y610-V742 WeakPolarHBondContact OH-CA 3.43Å; W682-V742 HydrophobicContact CH2-CG1 4.47Å; W682-V742 WeakPolarHBondContact CH2-O 3.3Å; W682-V742 HydrophobicContact CZ3-CG1 4.38Å; I694-V742 WeakPolarHBondContact CA-O 3.43Å; I694-V742 WeakPolarHBondContact CG1-O 3.34Å; V695-V742 HydrophobicContact CG2-CG1 3.85Å; V695-V742 PolarHBondContact N-O 2.83Å; V695-V742 PolarHBondContact O-N 3.29Å; K697-V742 HydrophobicContact CG-CB 4.07Å; K697-V742 HydrophobicContact CG-CG1 3.91Å; L700-V742 HydrophobicContact CD2-CG1 3.56Å; L731-V742 HydrophobicContact CD1-CG2 3.98Å; L731-V742 HydrophobicContact CD2-CG2 3.67Å; L731-V742 HydrophobicContact CG-CG2 4.36Å; V742-H746 HydrophobicContact CG2-CB 4.24Å; V742-F747 HydrophobicContact CG2-CB 4.29Å
743	T	93.1	Very high	80.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	156.1	177.3	63.2	0	0	0	0	111.9	C607 Y610 H611 L693 F745 H746 F747	C607-T743 HydrophobicContact CB-CG2 4.16Å; Y610-T743 HydrophobicContact CD1-CG2 3.52Å; Y610-T743 HydrophobicContact CD2-CG2 4.07Å; Y610-T743 HydrophobicContact CE1-CG2 3.92Å; Y610-T743 HydrophobicContact CE2-CG2 4.42Å; Y610-T743 HydrophobicContact CG-CG2 3.59Å; H611-T743 PolarHBondContact CE1-OG1 3.22Å; H611-T743 VanDerWaalsContact CE1-OG1 3.3Å; H611-T743 PolarHBondContact NE2-OG1 2.87Å; L693-T743 CarbonylContact O-C 3.56Å; L693-T743 VanDerWaalsContact O-CA 3.27Å; L693-T743 WeakPolarHBondContact O-CA 3.32Å; T743-F745 PolarHBondContact O-N 3.5Å; T743-H746 PolarHBondContact O-N 2.99Å; T743-H746 WeakPolarHBondContact OG1-CB 3.46Å; T743-H746 PolarHBondContact OG1-N 3.09Å; T743-F747 PolarHBondContact O-N 2.86Å; T743-F747 VanDerWaalsContact O-N 3.08Å
744	V	92.9	Very high	80.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.5	-40	177.3	65.2	0	0	0	0	111.4	I665 L669 I672 W682 L693 F747 V748	I665-V744 HydrophobicContact CD1-CG2 4.42Å; L669-V744 HydrophobicContact CD2-CG2 3.55Å; L669-V744 HydrophobicContact CG-CG2 4.32Å; I672-V744 HydrophobicContact CD1-CG1 4.44Å; I672-V744 HydrophobicContact CD1-CG2 3.97Å; W682-V744 HydrophobicContact CD2-CB 4.21Å; W682-V744 HydrophobicContact CD2-CG2 3.96Å; W682-V744 VanDerWaalsContact CE2-CB 3.49Å; W682-V744 HydrophobicContact CG-CG2 4.07Å; W682-V744 HydrophobicContact CH2-CB 4.17Å; W682-V744 VanDerWaalsContact CH2-N 3.3Å; W682-V744 HydrophobicContact CZ2-CB 3.5Å; W682-V744 HydrophobicContact CZ2-CG2 4.18Å; W682-V744 VanDerWaalsContact CZ2-N 3.32Å; L693-V744 HydrophobicContact CB-CG1 4.46Å; L693-V744 HydrophobicContact CD2-CG1 4Å; L693-V744 PolarHBondContact O-N 3.47Å; V744-F747 PolarHBondContact O-N 3.38Å; V744-V748 HydrophobicContact CG2-CG2 4.21Å; V744-V748 WeakPolarHBondContact O-CB 3.42Å; V744-V748 VanDerWaalsContact O-CG2 3.28Å; V744-V748 WeakPolarHBondContact O-CG2 3.41Å; V744-V748 PolarHBondContact O-N 3.34Å
745	F	92.1	Very high	81.4	Confident	10 Å²	10	44.3 Å²	44.3	4%	0.044	25%	0.25	C	S	.	.	H	α-helix	trans	-64.9	-45.6	-180	-52.1	-88.3	0	0	0	112.2	T648 D651 L652 I655 V668 I672 T743 G749	T648-F745 HydrophobicContact CG2-CB 3.4Å; T648-F745 HydrophobicContact CG2-CD1 4.1Å; T648-F745 HydrophobicContact CG2-CD2 4.37Å; T648-F745 HydrophobicContact CG2-CG 3.72Å; D651-F745 HydrophobicContact CB-CE1 4.13Å; L652-F745 HydrophobicContact CB-CZ 4.47Å; L652-F745 HydrophobicContact CD1-CE2 3.88Å; L652-F745 HydrophobicContact CD1-CZ 4.05Å; I655-F745 HydrophobicContact CD1-CE1 4.11Å; I655-F745 HydrophobicContact CD1-CZ 3.67Å; V668-F745 HydrophobicContact CG1-CZ 4.37Å; I672-F745 HydrophobicContact CD1-CD1 4.32Å; I672-F745 HydrophobicContact CG2-CD1 3.9Å; I672-F745 HydrophobicContact CG2-CE1 3.77Å; T743-F745 PolarHBondContact O-N 3.5Å; F745-G749 PolarHBondContact O-N 3.32Å
746	H	90.5	Very high	82	Confident	19 Å²	19	44.8 Å²	44.8	9%	0.088	25%	0.252	C	S	.	.	H	α-helix	trans	-66.5	-40.3	178.5	-171.6	-169.5	0	0	0	111.4	Y610 R614 L731 Q736 V742 T743 G749	Y610-H746 HydrophobicContact CE1-CB 3.94Å; Y610-H746 AromaticContact CE1-ND1 3.61Å; Y610-H746 AromaticContact CZ-ND1 3.68Å; Y610-H746 PolarHBondContact OH-ND1 3.24Å; R614-H746 PolarHBondContact NH1-CE1 2.97Å; L731-H746 HydrophobicContact CD2-CB 4.48Å; Q736-H746 PolarHBondContact OE1-CE1 3.04Å; Q736-H746 PolarHBondContact OE1-ND1 3.36Å; V742-H746 HydrophobicContact CG2-CB 4.24Å; T743-H746 PolarHBondContact O-N 2.99Å; T743-H746 WeakPolarHBondContact OG1-CB 3.46Å; T743-H746 PolarHBondContact OG1-N 3.09Å; H746-G749 PolarHBondContact O-N 3.44Å
747	F	92.6	Very high	82.5	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-48.4	175.8	174.6	-114.7	0	0	0	113	V678 I681 W682 L700 I704 L731 V742 T743 V744 G749 I750 F751	V678-F747 HydrophobicContact CG1-CD1 4.07Å; V678-F747 HydrophobicContact CG1-CE1 3.58Å; V678-F747 HydrophobicContact CG1-CZ 4.21Å; I681-F747 HydrophobicContact CB-CE1 4.27Å; I681-F747 HydrophobicContact CB-CZ 4.04Å; I681-F747 HydrophobicContact CD1-CZ 4.37Å; I681-F747 HydrophobicContact CG2-CE1 3.97Å; I681-F747 HydrophobicContact CG2-CE2 4.42Å; I681-F747 HydrophobicContact CG2-CZ 3.52Å; W682-F747 HydrophobicContact CB-CD1 4.5Å; W682-F747 HydrophobicContact CB-CE1 4.37Å; W682-F747 HydrophobicContact CD2-CD1 4.23Å; W682-F747 HydrophobicContact CE3-CB 3.97Å; W682-F747 AromaticContact CE3-CD1 3.32Å; W682-F747 HydrophobicContact CE3-CD1 3.32Å; W682-F747 HydrophobicContact CE3-CE1 4.03Å; W682-F747 AromaticContact CE3-CG 3.84Å; W682-F747 HydrophobicContact CE3-CG 3.84Å; W682-F747 HydrophobicContact CZ3-CB 3.61Å; W682-F747 AromaticContact CZ3-CD1 3.89Å; W682-F747 HydrophobicContact CZ3-CD1 3.89Å; W682-F747 AromaticContact CZ3-CG 3.92Å; W682-F747 HydrophobicContact CZ3-CG 3.92Å; L700-F747 HydrophobicContact CD1-CD1 4.5Å; L700-F747 HydrophobicContact CD1-CD2 4.44Å; L700-F747 HydrophobicContact CD1-CE1 4.31Å; L700-F747 HydrophobicContact CD1-CE2 4.27Å; L700-F747 HydrophobicContact CD1-CZ 4.21Å; L700-F747 HydrophobicContact CD2-CB 4.42Å; L700-F747 HydrophobicContact CD2-CD2 3.73Å; L700-F747 HydrophobicContact CD2-CE2 4.17Å; L700-F747 HydrophobicContact CD2-CG 4.06Å; L700-F747 HydrophobicContact CG-CD2 4.5Å; L700-F747 HydrophobicContact CG-CE2 4.48Å; I704-F747 HydrophobicContact CD1-CE2 3.94Å; I704-F747 HydrophobicContact CG1-CE2 4.2Å; I704-F747 HydrophobicContact CG1-CZ 4.48Å; L731-F747 HydrophobicContact CD1-CD2 4.36Å; V742-F747 HydrophobicContact CG2-CB 4.29Å; T743-F747 PolarHBondContact O-N 2.86Å; T743-F747 VanDerWaalsContact O-N 3.08Å; V744-F747 PolarHBondContact O-N 3.38Å; F747-G749 VanDerWaalsContact C-N 3.3Å; F747-G749 PolarHBondContact O-N 3.4Å; F747-I750 PolarHBondContact O-N 3.07Å; F747-F751 HydrophobicContact CD2-CE2 4.17Å; F747-F751 HydrophobicContact CE2-CD2 4.4Å; F747-F751 AromaticContact CE2-CE2 3.6Å; F747-F751 HydrophobicContact CE2-CE2 3.6Å; F747-F751 HydrophobicContact CE2-CZ 4.42Å; F747-F751 HydrophobicContact CZ-CE2 4.02Å; F747-F751 WeakPolarHBondContact O-CD2 3.45Å
748	V	90.4	Very high	83.1	Confident	5 Å²	5	45.1 Å²	45.1	3%	0.03	26%	0.258	C	S	.	.	H	α-helix	trans	-65.1	-36.2	178	173.1	0	0	0	0	111.2	L669 I672 A674 V678 V744 I750 F751 K752	L669-V748 HydrophobicContact CD2-CG2 4.02Å; I672-V748 HydrophobicContact CD1-CB 4.04Å; I672-V748 HydrophobicContact CD1-CG1 4.22Å; I672-V748 HydrophobicContact CD1-CG2 3.85Å; I672-V748 HydrophobicContact CG1-CB 4.49Å; I672-V748 HydrophobicContact CG1-CG1 4.12Å; I672-V748 HydrophobicContact CG1-CG2 4.44Å; A674-V748 HydrophobicContact CB-CB 4.46Å; A674-V748 HydrophobicContact CB-CG1 3.77Å; A674-V748 HydrophobicContact CB-CG2 3.75Å; V678-V748 HydrophobicContact CG1-CG2 3.84Å; V744-V748 HydrophobicContact CG2-CG2 4.21Å; V744-V748 WeakPolarHBondContact O-CB 3.42Å; V744-V748 VanDerWaalsContact O-CG2 3.28Å; V744-V748 WeakPolarHBondContact O-CG2 3.41Å; V744-V748 PolarHBondContact O-N 3.34Å; V748-I750 PolarHBondContact O-N 3.28Å; V748-F751 CarbonylContact O-C 3.47Å; V748-F751 PolarHBondContact O-N 3.12Å; V748-K752 PolarHBondContact O-N 3.39Å
749	G	86	Confident	83.6	Confident	35 Å²	35	38.4 Å²	38.4	36%	0.361	22%	0.22	S	C	.	.	H	α-helix	trans	-54.6	-33.9	178.7	0	0	0	0	0	114.2	F745 H746 F747 F751 K752	F745-G749 PolarHBondContact O-N 3.32Å; H746-G749 PolarHBondContact O-N 3.44Å; F747-G749 VanDerWaalsContact C-N 3.3Å; F747-G749 PolarHBondContact O-N 3.4Å; G749-F751 PolarHBondContact O-N 2.95Å; G749-K752 PolarHBondContact O-N 3.31Å
750	I	85.2	Confident	83.9	Confident	21 Å²	21	36.4 Å²	36.4	11%	0.108	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-32.8	175.3	-70.9	172.2	0	0	0	112.4	L730 L731 F747 V748 R754 Y759	L730-I750 HydrophobicContact CB-CD1 3.71Å; L730-I750 HydrophobicContact CB-CG1 4.33Å; L730-I750 HydrophobicContact CD1-CG2 4.04Å; L731-I750 HydrophobicContact CD1-CD1 4.49Å; L731-I750 HydrophobicContact CD2-CD1 3.36Å; L731-I750 HydrophobicContact CD2-CG1 4.4Å; L731-I750 HydrophobicContact CG-CD1 3.5Å; F747-I750 PolarHBondContact O-N 3.07Å; V748-I750 PolarHBondContact O-N 3.28Å; I750-R754 WeakPolarHBondContact O-CD 3.17Å; I750-Y759 HydrophobicContact CG2-CE1 4.23Å
751	F	82.6	Confident	83.5	Confident	10 Å²	10	35.8 Å²	35.8	4%	0.044	20%	0.195	C	C	.	.	H	α-helix	trans	-103.5	-4.8	-175.6	-59.8	-86.9	0	0	0	113.2	V678 I727 F747 V748 G749 G753 R754 F756 Y759 I760	V678-F751 HydrophobicContact CG1-CD2 4.4Å; V678-F751 HydrophobicContact CG2-CB 3.77Å; V678-F751 HydrophobicContact CG2-CD1 4.08Å; V678-F751 HydrophobicContact CG2-CD2 3.79Å; V678-F751 HydrophobicContact CG2-CE2 4.42Å; V678-F751 HydrophobicContact CG2-CG 3.6Å; I727-F751 HydrophobicContact CG2-CE2 4.36Å; I727-F751 HydrophobicContact CG2-CZ 4.01Å; F747-F751 HydrophobicContact CD2-CE2 4.17Å; F747-F751 HydrophobicContact CE2-CD2 4.4Å; F747-F751 AromaticContact CE2-CE2 3.6Å; F747-F751 HydrophobicContact CE2-CE2 3.6Å; F747-F751 HydrophobicContact CE2-CZ 4.42Å; F747-F751 HydrophobicContact CZ-CE2 4.02Å; F747-F751 WeakPolarHBondContact O-CD2 3.45Å; V748-F751 CarbonylContact O-C 3.47Å; V748-F751 PolarHBondContact O-N 3.12Å; G749-F751 PolarHBondContact O-N 2.95Å; F751-G753 PolarHBondContact O-N 3.28Å; F751-R754 WeakPolarHBondContact O-CB 3.36Å; F751-R754 PolarHBondContact O-N 2.98Å; F751-F756 AromaticContact CD1-CD2 3.77Å; F751-F756 HydrophobicContact CD1-CD2 3.77Å; F751-F756 HydrophobicContact CD1-CE2 4.08Å; F751-F756 AromaticContact CE1-CD2 3.79Å; F751-F756 HydrophobicContact CE1-CD2 3.79Å; F751-F756 AromaticContact CE1-CE2 3.64Å; F751-F756 HydrophobicContact CE1-CE2 3.64Å; F751-F756 HydrophobicContact CZ-CE2 4.15Å; F751-Y759 AromaticContact CD1-CD1 3.82Å; F751-Y759 HydrophobicContact CD1-CD1 3.82Å; F751-Y759 HydrophobicContact CD1-CE1 4.13Å; F751-Y759 AromaticContact CE1-CD1 3.72Å; F751-Y759 HydrophobicContact CE1-CD1 3.72Å; F751-Y759 AromaticContact CE1-CE1 3.92Å; F751-Y759 HydrophobicContact CE1-CE1 3.92Å; F751-I760 HydrophobicContact CE1-CD1 4.23Å
752	K	78.8	Confident	82.9	Confident	86 Å²	86	33 Å²	33	37%	0.374	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	129.6	-177.9	-168.5	163.9	-175.4	157.7	0	110.4	E673 V748 G749 R754	E673-K752 WeakPolarHBondContact OE2-CE 3.47Å; E673-K752 IonicContact OE2-NZ 3.58Å; E673-K752 PolarHBondContact OE2-NZ 3.3Å; V748-K752 PolarHBondContact O-N 3.39Å; G749-K752 PolarHBondContact O-N 3.31Å; K752-R754 VanDerWaalsContact C-N 3.29Å; K752-R754 PolarHBondContact O-N 3.29Å
753	G	69.9	Low	82.5	Confident	75 Å²	75	34 Å²	34	77%	0.773	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	9.5	-175.3	0	0	0	0	0	115.7	F751	F751-G753 PolarHBondContact O-N 3.28Å
754	R	73.4	Confident	81.8	Confident	48 Å²	48	34 Å²	34	18%	0.181	19%	0.187	C	C	.	.	S	Bend	trans	-120.5	140.1	-174.6	-58.9	173.2	-172.8	-121.4	-15.3	111.6	D336 I750 F751 K752	D336-R754 IonicContact OD2-CZ 2.72Å; D336-R754 IonicContact OD2-NE 3.48Å; D336-R754 IonicContact OD2-NH2 2.87Å; D336-R754 PolarHBondContact OD2-NH2 2.87Å; I750-R754 WeakPolarHBondContact O-CD 3.17Å; F751-R754 WeakPolarHBondContact O-CB 3.36Å; F751-R754 PolarHBondContact O-N 2.98Å; K752-R754 VanDerWaalsContact C-N 3.29Å; K752-R754 PolarHBondContact O-N 3.29Å
755	H	73.8	Confident	81.2	Confident	138 Å²	138	36.1 Å²	36.1	64%	0.639	20%	0.197	S	C	*	.			trans	-75.7	126.9	170.3	-68.7	-70.4	0	0	0	109.9	M329 P758 Y759	M329-H755 HydrophobicContact SD-CB 4.33Å; H755-P758 HydrophobicContact CB-CG 4.13Å; H755-P758 WeakPolarHBondContact O-CD 3.1Å; H755-Y759 WeakPolarHBondContact O-CB 3.39Å; H755-Y759 PolarHBondContact O-N 2.78Å; H755-Y759 VanDerWaalsContact O-N 3.12Å
756	F	80.9	Confident	80.6	Confident	12 Å²	12	37.2 Å²	37.2	5%	0.053	20%	0.203	C	C	.	.	H	α-helix	trans	-62.3	-62.1	-169.9	-175.1	-96.9	0	0	0	113.6	E677 V678 I681 I708 I711 F751 Y759 I760	E677-F756 HydrophobicContact CB-CB 4.2Å; E677-F756 HydrophobicContact CB-CD1 3.53Å; E677-F756 HydrophobicContact CB-CD2 4.1Å; E677-F756 HydrophobicContact CB-CE1 3.85Å; E677-F756 HydrophobicContact CB-CE2 4.38Å; E677-F756 HydrophobicContact CB-CG 3.66Å; E677-F756 HydrophobicContact CB-CZ 4.27Å; E677-F756 HydrophobicContact CG-CB 4.27Å; E677-F756 HydrophobicContact CG-CD1 3.71Å; E677-F756 HydrophobicContact CG-CE1 4.31Å; E677-F756 HydrophobicContact CG-CG 4.08Å; V678-F756 HydrophobicContact CG2-CD2 3.75Å; V678-F756 HydrophobicContact CG2-CE2 4.04Å; I681-F756 HydrophobicContact CD1-CE2 3.86Å; I681-F756 HydrophobicContact CD1-CZ 3.66Å; I708-F756 HydrophobicContact CG2-CE1 4.45Å; I708-F756 HydrophobicContact CG2-CZ 3.94Å; I711-F756 HydrophobicContact CD1-CD1 4.19Å; I711-F756 HydrophobicContact CD1-CE1 3.84Å; F751-F756 AromaticContact CD1-CD2 3.77Å; F751-F756 HydrophobicContact CD1-CD2 3.77Å; F751-F756 HydrophobicContact CD1-CE2 4.08Å; F751-F756 AromaticContact CE1-CD2 3.79Å; F751-F756 HydrophobicContact CE1-CD2 3.79Å; F751-F756 AromaticContact CE1-CE2 3.64Å; F751-F756 HydrophobicContact CE1-CE2 3.64Å; F751-F756 HydrophobicContact CZ-CE2 4.15Å; F756-Y759 PolarHBondContact O-N 3.28Å; F756-I760 HydrophobicContact CD1-CG1 4.27Å; F756-I760 HydrophobicContact CE1-CG1 3.92Å; F756-I760 HydrophobicContact CE2-CD1 4.26Å; F756-I760 HydrophobicContact CE2-CG1 4.19Å; F756-I760 HydrophobicContact CZ-CD1 4.17Å; F756-I760 HydrophobicContact CZ-CG1 3.87Å; F756-I760 WeakPolarHBondContact O-CG1 3.43Å; F756-I760 PolarHBondContact O-N 3.23Å
757	E	78.7	Confident	80.2	Confident	100 Å²	100	36.4 Å²	36.4	47%	0.467	20%	0.2	S	C	.	.	H	α-helix	trans	-55.9	-48.5	-175.6	-53.6	-179.5	146.3	0	0	112.8	I711 Y759 I760 E761	I711-E757 HydrophobicContact CD1-CB 4.25Å; I711-E757 HydrophobicContact CD1-CG 4.08Å; E757-Y759 VanDerWaalsContact C-N 3.35Å; E757-Y759 PolarHBondContact O-N 2.93Å; E757-I760 WeakPolarHBondContact O-CB 3.35Å; E757-I760 PolarHBondContact O-N 3Å; E757-E761 WeakPolarHBondContact O-CG 3.44Å; E757-E761 PolarHBondContact O-N 3.01Å
758	P	76.3	Confident	79.8	Confident	27 Å²	27	38.5 Å²	38.5	18%	0.175	21%	0.208	C	C	.	.	H	α-helix	trans	-68.5	-31.2	-179.5	-21.6	36.4	0	0	0	113.5	M329 H755 E761 N762	M329-P758 HydrophobicContact CE-CB 3.55Å; M329-P758 HydrophobicContact CE-CG 3.5Å; M329-P758 VanDerWaalsContact CE-CG 3.5Å; M329-P758 HydrophobicContact SD-CB 3.34Å; M329-P758 WeakPolarHBondContact SD-CB 3.37Å; M329-P758 HydrophobicContact SD-CG 3.49Å; M329-P758 WeakPolarHBondContact SD-CG 3.4Å; H755-P758 HydrophobicContact CB-CG 4.13Å; H755-P758 WeakPolarHBondContact O-CD 3.1Å; P758-E761 PolarHBondContact O-N 3.43Å; P758-N762 WeakPolarHBondContact O-CB 3.44Å; P758-N762 VanDerWaalsContact O-CG 3.29Å; P758-N762 PolarHBondContact O-N 3.05Å; P758-N762 PolarHBondContact O-ND2 3.43Å
759	Y	75.9	Confident	79.5	Confident	21 Å²	21	39.4 Å²	39.4	8%	0.082	21%	0.212	C	C	.	.	H	α-helix	trans	-63.5	-43.4	172.8	-176.6	-112.6	0	0	0	110.8	I333 L730 I750 F751 H755 F756 E757 N762 M763	I333-Y759 HydrophobicContact CD1-CD2 3.54Å; I333-Y759 HydrophobicContact CD1-CE2 3.98Å; I333-Y759 HydrophobicContact CG1-CD2 3.8Å; I333-Y759 HydrophobicContact CG1-CE2 4.09Å; L730-Y759 WeakPolarHBondContact CD1-OH 3.39Å; I750-Y759 HydrophobicContact CG2-CE1 4.23Å; F751-Y759 AromaticContact CD1-CD1 3.82Å; F751-Y759 HydrophobicContact CD1-CD1 3.82Å; F751-Y759 HydrophobicContact CD1-CE1 4.13Å; F751-Y759 AromaticContact CE1-CD1 3.72Å; F751-Y759 HydrophobicContact CE1-CD1 3.72Å; F751-Y759 AromaticContact CE1-CE1 3.92Å; F751-Y759 HydrophobicContact CE1-CE1 3.92Å; H755-Y759 WeakPolarHBondContact O-CB 3.39Å; H755-Y759 PolarHBondContact O-N 2.78Å; H755-Y759 VanDerWaalsContact O-N 3.12Å; F756-Y759 PolarHBondContact O-N 3.28Å; E757-Y759 VanDerWaalsContact C-N 3.35Å; E757-Y759 PolarHBondContact O-N 2.93Å; Y759-N762 PolarHBondContact O-N 2.97Å; Y759-M763 HydrophobicContact CD1-SD 4.04Å; Y759-M763 HydrophobicContact CE1-CG 4.41Å; Y759-M763 HydrophobicContact CE1-SD 3.5Å; Y759-M763 WeakPolarHBondContact CE1-SD 3.43Å; Y759-M763 WeakPolarHBondContact O-CG 3.37Å; Y759-M763 PolarHBondContact O-N 2.98Å
760	I	82.7	Confident	79.6	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.9	-42.9	174.4	-63.1	-53.4	0	0	0	112	I708 I711 V723 I727 F751 F756 E757 N762 M763 G764	I708-I760 HydrophobicContact CB-CG2 3.86Å; I708-I760 HydrophobicContact CG2-CD1 3.72Å; I708-I760 HydrophobicContact CG2-CG1 3.95Å; I708-I760 HydrophobicContact CG2-CG2 4.08Å; I711-I760 HydrophobicContact CB-CG2 4.02Å; I711-I760 HydrophobicContact CD1-CB 4.21Å; I711-I760 HydrophobicContact CD1-CG1 4.34Å; I711-I760 HydrophobicContact CD1-CG2 4.08Å; I711-I760 HydrophobicContact CG2-CB 4.28Å; I711-I760 HydrophobicContact CG2-CG2 3.86Å; V723-I760 HydrophobicContact CG1-CG2 4.46Å; I727-I760 HydrophobicContact CD1-CD1 3.63Å; F751-I760 HydrophobicContact CE1-CD1 4.23Å; F756-I760 HydrophobicContact CD1-CG1 4.27Å; F756-I760 HydrophobicContact CE1-CG1 3.92Å; F756-I760 HydrophobicContact CE2-CD1 4.26Å; F756-I760 HydrophobicContact CE2-CG1 4.19Å; F756-I760 HydrophobicContact CZ-CD1 4.17Å; F756-I760 HydrophobicContact CZ-CG1 3.87Å; F756-I760 WeakPolarHBondContact O-CG1 3.43Å; F756-I760 PolarHBondContact O-N 3.23Å; E757-I760 WeakPolarHBondContact O-CB 3.35Å; E757-I760 PolarHBondContact O-N 3Å; I760-N762 PolarHBondContact O-N 2.83Å; I760-M763 PolarHBondContact O-N 3.35Å; I760-G764 PolarHBondContact O-N 3.2Å
761	E	77.1	Confident	79.7	Confident	68 Å²	68	39.1 Å²	39.1	32%	0.318	21%	0.205	S	C	.	.	H	α-helix	trans	-59.5	-45	174.5	-70.1	-174.6	161.7	0	0	111.6	I711 I715 E757 P758 M763 G764 H765	I711-E761 HydrophobicContact CG2-CG 3.61Å; I715-E761 HydrophobicContact CD1-CG 3.95Å; E757-E761 WeakPolarHBondContact O-CG 3.44Å; E757-E761 PolarHBondContact O-N 3.01Å; P758-E761 PolarHBondContact O-N 3.43Å; E761-M763 PolarHBondContact O-N 3.02Å; E761-G764 CarbonylContact O-C 3.5Å; E761-G764 WeakPolarHBondContact O-CA 3.4Å; E761-G764 PolarHBondContact O-N 3.46Å; E761-H765 PolarHBondContact O-CD2 2.94Å; E761-H765 PolarHBondContact O-N 3.41Å
762	N	76.9	Confident	79.9	Confident	17 Å²	17	39.7 Å²	39.7	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-39.2	177	-76	-22.1	0	0	0	112.8	I333 P758 Y759 I760 G764 H765 D766	I333-N762 HydrophobicContact CD1-CB 3.84Å; P758-N762 WeakPolarHBondContact O-CB 3.44Å; P758-N762 VanDerWaalsContact O-CG 3.29Å; P758-N762 PolarHBondContact O-N 3.05Å; P758-N762 PolarHBondContact O-ND2 3.43Å; Y759-N762 PolarHBondContact O-N 2.97Å; I760-N762 PolarHBondContact O-N 2.83Å; N762-G764 VanDerWaalsContact C-N 3.29Å; N762-G764 PolarHBondContact O-N 3.43Å; N762-H765 WeakPolarHBondContact O-CB 3.36Å; N762-H765 PolarHBondContact O-N 3.28Å; N762-D766 PolarHBondContact O-N 2.99Å
763	M	82.3	Confident	80.5	Confident	21 Å²	21	35.7 Å²	35.7	10%	0.103	19%	0.191	C	C	.	.	H	α-helix	trans	-65.7	-33.1	171.2	-66.6	-176.8	81.1	0	0	112	V723 I727 L730 Y759 I760 E761 A767	V723-M763 HydrophobicContact CG1-CB 3.84Å; I727-M763 HydrophobicContact CB-CE 4.46Å; I727-M763 HydrophobicContact CD1-SD 4.39Å; I727-M763 HydrophobicContact CG1-CE 3.57Å; I727-M763 HydrophobicContact CG1-SD 3.71Å; L730-M763 HydrophobicContact CD1-CE 3.82Å; Y759-M763 HydrophobicContact CD1-SD 4.04Å; Y759-M763 HydrophobicContact CE1-CG 4.41Å; Y759-M763 HydrophobicContact CE1-SD 3.5Å; Y759-M763 WeakPolarHBondContact CE1-SD 3.43Å; Y759-M763 WeakPolarHBondContact O-CG 3.37Å; Y759-M763 PolarHBondContact O-N 2.98Å; I760-M763 PolarHBondContact O-N 3.35Å; E761-M763 PolarHBondContact O-N 3.02Å; M763-A767 WeakPolarHBondContact O-CB 3.33Å; M763-A767 PolarHBondContact O-N 3.41Å
764	G	79	Confident	81.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.6	-42	170.2	0	0	0	0	0	113.2	I760 E761 N762 W768	I760-G764 PolarHBondContact O-N 3.2Å; E761-G764 CarbonylContact O-C 3.5Å; E761-G764 WeakPolarHBondContact O-CA 3.4Å; E761-G764 PolarHBondContact O-N 3.46Å; N762-G764 VanDerWaalsContact C-N 3.29Å; N762-G764 PolarHBondContact O-N 3.43Å; G764-W768 WeakPolarHBondContact O-CB 3.49Å; G764-W768 PolarHBondContact O-N 3.38Å
765	H	79.5	Confident	82.2	Confident	45 Å²	45	35 Å²	35	21%	0.208	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-47.5	174.4	-74.2	-61.9	0	0	0	112	Y716 E761 N762 W768 M769	Y716-H765 HydrophobicContact CE2-CB 4.46Å; Y716-H765 AromaticContact CE2-CE1 3.77Å; Y716-H765 AromaticContact CE2-CG 3.92Å; Y716-H765 AromaticContact CE2-ND1 3.43Å; Y716-H765 WeakPolarHBondContact CE2-ND1 3.06Å; Y716-H765 AromaticContact CZ-ND1 3.49Å; Y716-H765 PolarHBondContact OH-CE1 3.26Å; Y716-H765 PolarHBondContact OH-ND1 3.28Å; E761-H765 PolarHBondContact O-CD2 2.94Å; E761-H765 PolarHBondContact O-N 3.41Å; N762-H765 WeakPolarHBondContact O-CB 3.36Å; N762-H765 PolarHBondContact O-N 3.28Å; H765-W768 WeakPolarHBondContact O-CB 3.41Å; H765-W768 PolarHBondContact O-N 2.92Å; H765-M769 WeakPolarHBondContact O-CG 3.48Å; H765-M769 PolarHBondContact O-N 3.22Å
766	D	79.7	Confident	83	Confident	33 Å²	33	32 Å²	32	18%	0.176	16%	0.161	C	C	.	.	H	α-helix	trans	-65.7	-48.5	177.7	-175	48.7	0	0	0	111.7	N762 W768 M769 V770 P796 S799	N762-D766 PolarHBondContact O-N 2.99Å; D766-W768 PolarHBondContact O-N 3.31Å; D766-W768 VanDerWaalsContact O-N 3.14Å; D766-M769 PolarHBondContact O-N 2.93Å; D766-V770 WeakPolarHBondContact O-CG2 3.06Å; D766-V770 PolarHBondContact O-N 2.8Å; D766-P796 HydrophobicContact CB-CG 4.08Å; D766-P796 WeakPolarHBondContact OD1-CB 3.3Å; D766-P796 WeakPolarHBondContact OD1-CG 3.29Å; D766-S799 PolarHBondContact OD1-OG 3.15Å
767	A	83.1	Confident	83.4	Confident	3 Å²	3	36.7 Å²	36.7	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-56.1	-34	174.5	0	0	0	0	0	112.6	L719 R722 V723 M763 T771	L719-A767 HydrophobicContact CD1-CB 4.43Å; R722-A767 HydrophobicContact CG-CB 4.12Å; V723-A767 HydrophobicContact CG2-CB 4.17Å; M763-A767 WeakPolarHBondContact O-CB 3.33Å; M763-A767 PolarHBondContact O-N 3.41Å; A767-T771 VanDerWaalsContact O-CB 3.22Å; A767-T771 WeakPolarHBondContact O-CB 3.4Å; A767-T771 PolarHBondContact O-N 3.42Å; A767-T771 PolarHBondContact O-OG1 2.9Å
768	W	84.1	Confident	84	Confident	43 Å²	43	34.9 Å²	34.9	16%	0.163	18%	0.176	C	C	.	.	H	α-helix	trans	-68.9	-46.2	173.8	174.6	80	0	0	0	112.6	Y716 L719 G764 H765 D766 T771 L772 V784	Y716-W768 HydrophobicContact CD1-CB 3.84Å; Y716-W768 AromaticContact CD1-CD1 3.78Å; Y716-W768 AromaticContact CD1-CG 3.89Å; Y716-W768 HydrophobicContact CD1-CG 3.89Å; Y716-W768 HydrophobicContact CE1-CB 3.45Å; Y716-W768 VanDerWaalsContact CE1-CB 3.45Å; Y716-W768 AromaticContact CE1-CD1 3.46Å; Y716-W768 VanDerWaalsContact CE1-CD1 3.46Å; Y716-W768 AromaticContact CE1-CD2 3.95Å; Y716-W768 HydrophobicContact CE1-CD2 3.95Å; Y716-W768 AromaticContact CE1-CG 3.28Å; Y716-W768 HydrophobicContact CE1-CG 3.28Å; Y716-W768 AromaticContact CZ-CG 4Å; L719-W768 HydrophobicContact CD1-CB 3.58Å; L719-W768 HydrophobicContact CD1-CG 4.44Å; G764-W768 WeakPolarHBondContact O-CB 3.49Å; G764-W768 PolarHBondContact O-N 3.38Å; H765-W768 WeakPolarHBondContact O-CB 3.41Å; H765-W768 PolarHBondContact O-N 2.92Å; D766-W768 PolarHBondContact O-N 3.31Å; D766-W768 VanDerWaalsContact O-N 3.14Å; W768-T771 PolarHBondContact O-N 2.77Å; W768-L772 HydrophobicContact CD2-CD1 4.3Å; W768-L772 HydrophobicContact CH2-CD1 3.71Å; W768-L772 HydrophobicContact CZ2-CD1 3.21Å; W768-L772 HydrophobicContact CZ2-CG 4.41Å; W768-L772 HydrophobicContact CZ3-CD1 4.47Å; W768-L772 PolarHBondContact O-N 3.13Å; W768-V784 HydrophobicContact CH2-CG2 4.38Å; W768-V784 HydrophobicContact CZ3-CG2 4.42Å
769	M	84.4	Confident	84.6	Confident	24 Å²	24	41.5 Å²	41.5	12%	0.118	20%	0.204	C	C	.	.	H	α-helix	trans	-60.5	-53.7	177.5	-70.8	-172.6	-67.9	0	0	110.5	H765 D766 T771 L772 L773 V784 L788 P796	H765-M769 WeakPolarHBondContact O-CG 3.48Å; H765-M769 PolarHBondContact O-N 3.22Å; D766-M769 PolarHBondContact O-N 2.93Å; M769-T771 VanDerWaalsContact C-N 3.33Å; M769-T771 PolarHBondContact O-N 3.25Å; M769-L772 PolarHBondContact O-N 3.39Å; M769-L773 WeakPolarHBondContact O-CG 3.44Å; M769-L773 PolarHBondContact O-N 2.84Å; M769-V784 HydrophobicContact CB-CG1 4.23Å; M769-V784 HydrophobicContact CG-CG1 4.16Å; M769-V784 HydrophobicContact SD-CG1 4.44Å; M769-L788 HydrophobicContact SD-CD2 3.9Å; M769-P796 HydrophobicContact CE-CG 3.87Å
770	V	86.9	Confident	85.3	Confident	7 Å²	7	44.1 Å²	44.1	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-57.4	-45.5	178.6	-178.6	0	0	0	0	110.7	R722 D766 L772 L773 D774	R722-V770 VanDerWaalsContact NH2-CG1 3.28Å; D766-V770 WeakPolarHBondContact O-CG2 3.06Å; D766-V770 PolarHBondContact O-N 2.8Å; V770-L772 PolarHBondContact O-N 3.38Å; V770-L772 VanDerWaalsContact O-N 3.11Å; V770-L773 PolarHBondContact O-N 3.11Å; V770-L773 VanDerWaalsContact O-N 3.11Å; V770-D774 WeakPolarHBondContact O-CB 3.36Å; V770-D774 PolarHBondContact O-N 2.78Å
771	T	87.3	Confident	85.7	Confident	44 Å²	44	44.1 Å²	44.1	27%	0.27	22%	0.216	S	C	.	.	H	α-helix	trans	-57	-30.4	176.4	-60.4	0	0	0	0	113.8	R722 A767 W768 M769 T775	R722-T771 WeakPolarHBondContact CD-OG1 3.43Å; R722-T771 PolarHBondContact NH1-OG1 2.86Å; A767-T771 VanDerWaalsContact O-CB 3.22Å; A767-T771 WeakPolarHBondContact O-CB 3.4Å; A767-T771 PolarHBondContact O-N 3.42Å; A767-T771 PolarHBondContact O-OG1 2.9Å; W768-T771 PolarHBondContact O-N 2.77Å; M769-T771 VanDerWaalsContact C-N 3.33Å; M769-T771 PolarHBondContact O-N 3.25Å; T771-T775 VanDerWaalsContact O-CG2 3.25Å; T771-T775 WeakPolarHBondContact O-CG2 3.31Å
772	L	86.3	Confident	86.3	Confident	21 Å²	21	42.6 Å²	42.6	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-83.4	-38.3	176.2	-70.5	-173.7	0	0	0	112.7	W768 M769 V770 T775 K780 V784	W768-L772 HydrophobicContact CD2-CD1 4.3Å; W768-L772 HydrophobicContact CH2-CD1 3.71Å; W768-L772 HydrophobicContact CZ2-CD1 3.21Å; W768-L772 HydrophobicContact CZ2-CG 4.41Å; W768-L772 HydrophobicContact CZ3-CD1 4.47Å; W768-L772 PolarHBondContact O-N 3.13Å; M769-L772 PolarHBondContact O-N 3.39Å; V770-L772 PolarHBondContact O-N 3.38Å; V770-L772 VanDerWaalsContact O-N 3.11Å; L772-T775 PolarHBondContact O-N 3.26Å; L772-T775 PolarHBondContact O-OG1 3.47Å; L772-K780 HydrophobicContact CB-CB 4.3Å; L772-K780 HydrophobicContact CD2-CB 4.2Å; L772-K780 HydrophobicContact CD2-CD 3.94Å; L772-K780 HydrophobicContact CD2-CG 4.06Å; L772-V784 HydrophobicContact CB-CG2 3.63Å; L772-V784 HydrophobicContact CD1-CG2 3.86Å; L772-V784 HydrophobicContact CG-CG2 4.38Å
773	L	91.4	Very high	86.7	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-44.3	175.2	-63	176.9	0	0	0	111.1	M769 V770 T775 E776 V781 V784 H802 L803 L806	M769-L773 WeakPolarHBondContact O-CG 3.44Å; M769-L773 PolarHBondContact O-N 2.84Å; V770-L773 PolarHBondContact O-N 3.11Å; V770-L773 VanDerWaalsContact O-N 3.11Å; L773-T775 PolarHBondContact O-N 3.08Å; L773-E776 PolarHBondContact O-N 2.81Å; L773-V781 HydrophobicContact CD2-CB 4.46Å; L773-V781 HydrophobicContact CD2-CG1 3.99Å; L773-V781 HydrophobicContact CD2-CG2 4.33Å; L773-V784 HydrophobicContact CD1-CG1 4.44Å; L773-V784 HydrophobicContact CD2-CB 4.04Å; L773-V784 HydrophobicContact CD2-CG1 4.03Å; L773-V784 HydrophobicContact CD2-CG2 4.29Å; L773-V784 HydrophobicContact CG-CG1 4.28Å; L773-V784 HydrophobicContact CG-CG2 4.45Å; L773-H802 HydrophobicContact CB-CB 4.09Å; L773-H802 HydrophobicContact CD1-CB 3.86Å; L773-L803 HydrophobicContact CD1-CD2 4.05Å; L773-L803 HydrophobicContact CD1-CG 3.98Å; L773-L803 HydrophobicContact CD2-CD2 3.71Å; L773-L806 HydrophobicContact CB-CD1 4.23Å; L773-L806 HydrophobicContact CD2-CD1 3.89Å
774	D	90.9	Very high	86.9	Confident	69 Å²	69	44.8 Å²	44.8	37%	0.369	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-24.3	174.7	-72.5	-19.3	0	0	0	113.9	R722 V770 E776 H802	R722-D774 IonicContact CZ-OD2 2.7Å; R722-D774 IonicContact NH1-OD2 3.48Å; R722-D774 PolarHBondContact NH1-OD2 2.81Å; R722-D774 IonicContact NH2-OD2 3.96Å; R722-D774 PolarHBondContact NH2-OD2 3.36Å; V770-D774 WeakPolarHBondContact O-CB 3.36Å; V770-D774 PolarHBondContact O-N 2.78Å; D774-E776 VanDerWaalsContact C-N 3.28Å; D774-E776 PolarHBondContact O-N 3.15Å; D774-H802 IonicContact OD1-CD2 3.12Å; D774-H802 PolarHBondContact OD1-CD2 2.99Å; D774-H802 IonicContact OD1-NE2 3.95Å
775	T	89.4	Confident	87.4	Confident	39 Å²	39	45 Å²	45	24%	0.239	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.2	-178.1	69.1	0	0	0	0	114.1	T771 L772 L773 H777 K780	T771-T775 VanDerWaalsContact O-CG2 3.25Å; T771-T775 WeakPolarHBondContact O-CG2 3.31Å; L772-T775 PolarHBondContact O-N 3.26Å; L772-T775 PolarHBondContact O-OG1 3.47Å; L773-T775 PolarHBondContact O-N 3.08Å; T775-H777 PolarHBondContact O-N 3.5Å; T775-H777 PolarHBondContact O-ND1 3.01Å; T775-H777 PolarHBondContact OG1-N 2.82Å; T775-K780 HydrophobicContact CG2-CD 3.82Å; T775-K780 WeakPolarHBondContact OG1-CD 3.49Å
776	E	90.4	Very high	87.6	Confident	75 Å²	75	47.9 Å²	47.9	35%	0.35	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	26	-174.9	-50.6	-167.9	173.1	0	0	112.8	L773 D774 L806 R809 I814	L773-E776 PolarHBondContact O-N 2.81Å; D774-E776 VanDerWaalsContact C-N 3.28Å; D774-E776 PolarHBondContact O-N 3.15Å; E776-L806 HydrophobicContact CB-CD2 4.37Å; E776-L806 HydrophobicContact CG-CD2 3.89Å; E776-R809 IonicContact OE1-CZ 2.78Å; E776-R809 IonicContact OE1-NE 3.92Å; E776-R809 PolarHBondContact OE1-NE 3.4Å; E776-R809 VanDerWaalsContact OE1-NE 3.1Å; E776-R809 IonicContact OE1-NH2 3.72Å; E776-R809 PolarHBondContact OE1-NH2 3.32Å; E776-I814 WeakPolarHBondContact O-CD1 3.33Å
777	H	89.3	Confident	87.6	Confident	112 Å²	112	50.6 Å²	50.6	52%	0.519	25%	0.25	S	S	.	.			trans	-96.5	120.3	178.5	-70.1	-18	0	0	0	110.6	T775 Q779 K780 V781	T775-H777 PolarHBondContact O-N 3.5Å; T775-H777 PolarHBondContact O-ND1 3.01Å; T775-H777 PolarHBondContact OG1-N 2.82Å; H777-Q779 VanDerWaalsContact C-N 3.26Å; H777-Q779 PolarHBondContact O-N 3.32Å; H777-K780 HydrophobicContact CB-CB 4.29Å; H777-K780 HydrophobicContact CB-CD 4.16Å; H777-K780 HydrophobicContact CB-CG 4.33Å; H777-K780 PolarHBondContact O-N 2.88Å; H777-V781 PolarHBondContact O-N 2.91Å
778	I	90.9	Very high	87.6	Confident	62 Å²	62	51 Å²	51	32%	0.318	25%	0.252	S	S	.	.	H	α-helix	trans	-46.6	-42	-175.6	-164.8	176.5	0	0	0	114.7	A782 R813 I814 I817	I778-A782 WeakPolarHBondContact O-CB 3.5Å; I778-A782 PolarHBondContact O-N 3.31Å; I778-R813 HydrophobicContact CD1-CB 3.66Å; I778-I814 HydrophobicContact CB-CG1 4.17Å; I778-I814 HydrophobicContact CG1-CG1 4.28Å; I778-I817 HydrophobicContact CD1-CD1 4.1Å; I778-I817 HydrophobicContact CG1-CD1 3.5Å; I778-I817 VanDerWaalsContact CG1-CD1 3.5Å
779	Q	89.9	Confident	87.5	Confident	165 Å²	165	52 Å²	52	77%	0.771	27%	0.265	S	S	*	.	H	α-helix	trans	-70.5	-34.1	179.6	-66.7	-179.5	-7.3	0	0	113.3	H777 Q783	H777-Q779 VanDerWaalsContact C-N 3.26Å; H777-Q779 PolarHBondContact O-N 3.32Å; Q779-Q783 WeakPolarHBondContact O-CB 3.38Å; Q779-Q783 PolarHBondContact O-N 3.31Å
780	K	89.3	Confident	87.1	Confident	77 Å²	77	55.1 Å²	55.1	34%	0.335	28%	0.283	S	S	.	.	H	α-helix	trans	-77.6	-40.2	178.8	-70.5	178	174.7	178.4	0	111.1	L772 T775 H777 Q783 V784	L772-K780 HydrophobicContact CB-CB 4.3Å; L772-K780 HydrophobicContact CD2-CB 4.2Å; L772-K780 HydrophobicContact CD2-CD 3.94Å; L772-K780 HydrophobicContact CD2-CG 4.06Å; T775-K780 HydrophobicContact CG2-CD 3.82Å; T775-K780 WeakPolarHBondContact OG1-CD 3.49Å; H777-K780 HydrophobicContact CB-CB 4.29Å; H777-K780 HydrophobicContact CB-CD 4.16Å; H777-K780 HydrophobicContact CB-CG 4.33Å; H777-K780 PolarHBondContact O-N 2.88Å; K780-Q783 WeakPolarHBondContact O-CB 3.39Å; K780-Q783 PolarHBondContact O-N 2.82Å; K780-V784 PolarHBondContact O-N 3.08Å; K780-V784 VanDerWaalsContact O-N 3.16Å
781	V	90.9	Very high	86.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-47.1	171.8	-178.6	0	0	0	0	110.3	L773 H777 Q783 V784 V785 L806 I814 V818	L773-V781 HydrophobicContact CD2-CB 4.46Å; L773-V781 HydrophobicContact CD2-CG1 3.99Å; L773-V781 HydrophobicContact CD2-CG2 4.33Å; H777-V781 PolarHBondContact O-N 2.91Å; V781-Q783 VanDerWaalsContact C-N 3.26Å; V781-Q783 PolarHBondContact O-N 2.88Å; V781-V784 PolarHBondContact O-N 3Å; V781-V785 HydrophobicContact CG1-CG2 4.03Å; V781-V785 WeakPolarHBondContact O-CG2 3.44Å; V781-V785 PolarHBondContact O-N 2.89Å; V781-L806 HydrophobicContact CG1-CD1 3.92Å; V781-L806 HydrophobicContact CG2-CD1 3.81Å; V781-I814 HydrophobicContact CB-CG2 4.24Å; V781-I814 HydrophobicContact CG1-CG2 3.92Å; V781-I814 HydrophobicContact CG2-CG2 4.08Å; V781-V818 HydrophobicContact CG1-CG2 4.21Å
782	A	89.5	Confident	85.2	Confident	35 Å²	35	58.7 Å²	58.7	29%	0.289	31%	0.306	S	S	.	.	H	α-helix	trans	-56.5	-38.3	174.3	0	0	0	0	0	112.7	I778 V785 D786 I817	I778-A782 WeakPolarHBondContact O-CB 3.5Å; I778-A782 PolarHBondContact O-N 3.31Å; A782-V785 PolarHBondContact O-N 3.29Å; A782-D786 WeakPolarHBondContact O-CB 3.4Å; A782-D786 PolarHBondContact O-N 2.85Å; A782-I817 HydrophobicContact CB-CD1 4.27Å
783	Q	85.5	Confident	84.2	Confident	83 Å²	83	59.7 Å²	59.7	39%	0.388	31%	0.313	S	S	.	.	H	α-helix	trans	-64	-37.5	175.8	-179	-176.5	13.4	0	0	113.1	Q779 K780 V781 R787	Q779-Q783 WeakPolarHBondContact O-CB 3.38Å; Q779-Q783 PolarHBondContact O-N 3.31Å; K780-Q783 WeakPolarHBondContact O-CB 3.39Å; K780-Q783 PolarHBondContact O-N 2.82Å; V781-Q783 VanDerWaalsContact C-N 3.26Å; V781-Q783 PolarHBondContact O-N 2.88Å; Q783-R787 WeakPolarHBondContact O-CG 3.26Å; Q783-R787 PolarHBondContact O-N 3.01Å
784	V	86.9	Confident	83.3	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-71.2	-49.1	174.7	176.3	0	0	0	0	109.8	W768 M769 L772 L773 K780 V781 D786 R787 L788	W768-V784 HydrophobicContact CH2-CG2 4.38Å; W768-V784 HydrophobicContact CZ3-CG2 4.42Å; M769-V784 HydrophobicContact CB-CG1 4.23Å; M769-V784 HydrophobicContact CG-CG1 4.16Å; M769-V784 HydrophobicContact SD-CG1 4.44Å; L772-V784 HydrophobicContact CB-CG2 3.63Å; L772-V784 HydrophobicContact CD1-CG2 3.86Å; L772-V784 HydrophobicContact CG-CG2 4.38Å; L773-V784 HydrophobicContact CD1-CG1 4.44Å; L773-V784 HydrophobicContact CD2-CB 4.04Å; L773-V784 HydrophobicContact CD2-CG1 4.03Å; L773-V784 HydrophobicContact CD2-CG2 4.29Å; L773-V784 HydrophobicContact CG-CG1 4.28Å; L773-V784 HydrophobicContact CG-CG2 4.45Å; K780-V784 PolarHBondContact O-N 3.08Å; K780-V784 VanDerWaalsContact O-N 3.16Å; V781-V784 PolarHBondContact O-N 3Å; V784-D786 PolarHBondContact O-N 2.7Å; V784-R787 WeakPolarHBondContact O-CB 3.49Å; V784-R787 PolarHBondContact O-N 3.33Å; V784-R787 VanDerWaalsContact O-N 3.14Å; V784-L788 HydrophobicContact CG1-CD1 4.04Å; V784-L788 HydrophobicContact CG1-CG 4.29Å; V784-L788 WeakPolarHBondContact O-CG 3.37Å; V784-L788 PolarHBondContact O-N 3.05Å
785	V	89.8	Confident	82.8	Confident	6 Å²	6	57.4 Å²	57.4	4%	0.036	30%	0.302	C	S	.	.	H	α-helix	trans	-67	-38.2	-175.5	176.4	0	0	0	0	112.8	V781 A782 R787 L788 S789 L803 I817 V818 Y821	V781-V785 HydrophobicContact CG1-CG2 4.03Å; V781-V785 WeakPolarHBondContact O-CG2 3.44Å; V781-V785 PolarHBondContact O-N 2.89Å; A782-V785 PolarHBondContact O-N 3.29Å; V785-R787 VanDerWaalsContact C-N 3.32Å; V785-R787 PolarHBondContact O-N 3.5Å; V785-L788 PolarHBondContact O-N 2.88Å; V785-S789 WeakPolarHBondContact O-CB 3.34Å; V785-S789 PolarHBondContact O-N 3.18Å; V785-S789 PolarHBondContact O-OG 2.81Å; V785-L803 HydrophobicContact CG2-CD2 3.95Å; V785-I817 HydrophobicContact CB-CG2 3.89Å; V785-I817 HydrophobicContact CG1-CG2 3.88Å; V785-I817 HydrophobicContact CG2-CG2 4.1Å; V785-V818 HydrophobicContact CG2-CG2 4.42Å; V785-Y821 VanDerWaalsContact CG1-CB 3.42Å; V785-Y821 HydrophobicContact CG1-CG 3.99Å
786	D	83.5	Confident	82.3	Confident	105 Å²	105	56.7 Å²	56.7	56%	0.561	30%	0.298	S	S	*	.	H	α-helix	trans	-60	-42.1	171.4	174.7	67.1	0	0	0	111.2	A782 V784 S789 N790	A782-D786 WeakPolarHBondContact O-CB 3.4Å; A782-D786 PolarHBondContact O-N 2.85Å; V784-D786 PolarHBondContact O-N 2.7Å; D786-S789 PolarHBondContact O-N 3.35Å; D786-N790 PolarHBondContact O-N 2.81Å; D786-N790 PolarHBondContact O-ND2 3.3Å
787	R	79.2	Confident	81.8	Confident	90 Å²	90	54.8 Å²	54.8	34%	0.34	29%	0.29	S	S	.	.	H	α-helix	trans	-62.7	-52.6	174.1	-74.4	-179.6	-178.8	-162.8	-2.5	111.3	Q783 V784 V785 S789 N790 V791	Q783-R787 WeakPolarHBondContact O-CG 3.26Å; Q783-R787 PolarHBondContact O-N 3.01Å; V784-R787 WeakPolarHBondContact O-CB 3.49Å; V784-R787 PolarHBondContact O-N 3.33Å; V784-R787 VanDerWaalsContact O-N 3.14Å; V785-R787 VanDerWaalsContact C-N 3.32Å; V785-R787 PolarHBondContact O-N 3.5Å; R787-S789 PolarHBondContact O-N 2.73Å; R787-N790 WeakPolarHBondContact O-CB 3.41Å; R787-N790 PolarHBondContact O-N 3.04Å; R787-V791 WeakPolarHBondContact O-CG2 3.23Å
788	L	83.4	Confident	81.5	Confident	12 Å²	12	53.4 Å²	53.4	6%	0.063	28%	0.284	C	S	.	.	H	α-helix	trans	-57.7	-34	178.6	-65.7	-178.7	0	0	0	112.5	M769 V784 V785 N790 V791 P795 L803 Y821	M769-L788 HydrophobicContact SD-CD2 3.9Å; V784-L788 HydrophobicContact CG1-CD1 4.04Å; V784-L788 HydrophobicContact CG1-CG 4.29Å; V784-L788 WeakPolarHBondContact O-CG 3.37Å; V784-L788 PolarHBondContact O-N 3.05Å; V785-L788 PolarHBondContact O-N 2.88Å; L788-N790 PolarHBondContact O-N 2.75Å; L788-V791 WeakPolarHBondContact O-CB 3.45Å; L788-V791 PolarHBondContact O-N 2.83Å; L788-P795 HydrophobicContact CD1-CB 4.34Å; L788-P795 HydrophobicContact CD1-CG 3.92Å; L788-P795 HydrophobicContact CD2-CB 4.14Å; L788-P795 HydrophobicContact CD2-CG 3.97Å; L788-P795 HydrophobicContact CG-CG 4.46Å; L788-L803 HydrophobicContact CD1-CD1 3.87Å; L788-Y821 HydrophobicContact CB-CD2 4.33Å; L788-Y821 HydrophobicContact CB-CE2 3.71Å
789	S	82.3	Confident	81.4	Confident	62 Å²	62	50.5 Å²	50.5	43%	0.434	27%	0.269	S	S	.	.	H	α-helix	trans	-65.8	-16.9	175.7	-57.8	0	0	0	0	113.8	V785 D786 R787	V785-S789 WeakPolarHBondContact O-CB 3.34Å; V785-S789 PolarHBondContact O-N 3.18Å; V785-S789 PolarHBondContact O-OG 2.81Å; D786-S789 PolarHBondContact O-N 3.35Å; R787-S789 PolarHBondContact O-N 2.73Å
790	N	75.4	Confident	81.4	Confident	91 Å²	91	42.6 Å²	42.6	49%	0.487	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	5.2	173.6	-73.1	-89.5	0	0	0	112.8	D786 R787 L788	D786-N790 PolarHBondContact O-N 2.81Å; D786-N790 PolarHBondContact O-ND2 3.3Å; R787-N790 WeakPolarHBondContact O-CB 3.41Å; R787-N790 PolarHBondContact O-N 3.04Å; L788-N790 PolarHBondContact O-N 2.75Å
791	V	68.2	Low	81.5	Confident	18 Å²	18	40.6 Å²	40.6	11%	0.109	22%	0.223	C	C	.	.			trans	-114.2	116.3	-174.2	178.7	0	0	0	0	110.8	W323 T327 R787 L788 V793	W323-V791 HydrophobicContact CD2-CG2 4.47Å; W323-V791 HydrophobicContact CH2-CB 3.69Å; W323-V791 HydrophobicContact CH2-CG1 3.57Å; W323-V791 HydrophobicContact CH2-CG2 3.52Å; W323-V791 HydrophobicContact CZ2-CB 3.57Å; W323-V791 HydrophobicContact CZ2-CG1 3.3Å; W323-V791 HydrophobicContact CZ2-CG2 3.06Å; W323-V791 HydrophobicContact CZ3-CG2 4.32Å; T327-V791 HydrophobicContact CG2-CG1 4.46Å; R787-V791 WeakPolarHBondContact O-CG2 3.23Å; L788-V791 WeakPolarHBondContact O-CB 3.45Å; L788-V791 PolarHBondContact O-N 2.83Å; V791-V793 HydrophobicContact CG1-CB 3.75Å; V791-V793 HydrophobicContact CG1-CG2 4.28Å; V791-V793 WeakPolarHBondContact CG1-O 3.45Å; V791-V793 PolarHBondContact O-N 2.96Å; V791-V793 VanDerWaalsContact O-N 3.13Å
792	P	65.8	Low	81.7	Confident	108 Å²	108	42.6 Å²	42.6	70%	0.701	23%	0.233	S	C	*	.	S	Bend	trans	-85.4	36	174.9	37.2	-36	0	0	0	112.2
793	V	66.6	Low	82	Confident	42 Å²	42	41 Å²	41	26%	0.255	22%	0.219	S	C	.	.	S	Bend	trans	-136.9	142.4	-176.3	-173.9	0	0	0	0	108.4	T327 L330 V791	T327-V793 HydrophobicContact CG2-CB 4.37Å; T327-V793 HydrophobicContact CG2-CG2 3.88Å; L330-V793 HydrophobicContact CD1-CG1 4.14Å; V791-V793 HydrophobicContact CG1-CB 3.75Å; V791-V793 HydrophobicContact CG1-CG2 4.28Å; V791-V793 WeakPolarHBondContact CG1-O 3.45Å; V791-V793 PolarHBondContact O-N 2.96Å; V791-V793 VanDerWaalsContact O-N 3.13Å
794	V	72.6	Confident	82.4	Confident	18 Å²	18	37 Å²	37	11%	0.109	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-61	138.8	177.2	68.8	0	0	0	0	110.4	Y334 L800 L829 D832 L833	Y334-V794 HydrophobicContact CD1-CG1 3.72Å; Y334-V794 HydrophobicContact CE1-CG1 4.03Å; Y334-V794 WeakPolarHBondContact CE1-O 3.35Å; V794-L800 HydrophobicContact CG2-CD1 3.83Å; V794-L829 HydrophobicContact CB-CD1 4.39Å; V794-D832 HydrophobicContact CB-CB 3.88Å; V794-D832 HydrophobicContact CG1-CB 4.21Å; V794-D832 HydrophobicContact CG2-CB 4.21Å; V794-L833 HydrophobicContact CG2-CD2 4.01Å; V794-L833 HydrophobicContact CG2-CG 4.32Å
795	P	79.5	Confident	82.9	Confident	5 Å²	5	37.4 Å²	37.4	3%	0.032	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-70.5	166.3	172.3	-15	28.4	0	0	0	112.6	L788 L800 Y821	L788-P795 HydrophobicContact CD1-CB 4.34Å; L788-P795 HydrophobicContact CD1-CG 3.92Å; L788-P795 HydrophobicContact CD2-CB 4.14Å; L788-P795 HydrophobicContact CD2-CG 3.97Å; L788-P795 HydrophobicContact CG-CG 4.46Å; P795-L800 HydrophobicContact CB-CD2 4.08Å; P795-L800 HydrophobicContact CB-CG 4.13Å; P795-L800 HydrophobicContact CG-CD2 3.74Å; P795-L800 HydrophobicContact CG-CG 4.29Å; P795-Y821 VanDerWaalsContact CG-OH 3.3Å; P795-Y821 WeakPolarHBondContact CG-OH 3.47Å
796	P	79.4	Confident	83.2	Confident	24 Å²	24	37.3 Å²	37.3	16%	0.156	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-56.8	146	173.5	-20.2	30	0	0	0	111.7	Y334 D766 M769 E798 S799 L800	Y334-P796 WeakPolarHBondContact OH-CD 3.43Å; Y334-P796 VanDerWaalsContact OH-CG 3.22Å; Y334-P796 WeakPolarHBondContact OH-CG 3.2Å; D766-P796 HydrophobicContact CB-CG 4.08Å; D766-P796 WeakPolarHBondContact OD1-CB 3.3Å; D766-P796 WeakPolarHBondContact OD1-CG 3.29Å; M769-P796 HydrophobicContact CE-CG 3.87Å; P796-E798 VanDerWaalsContact C-N 3.27Å; P796-E798 PolarHBondContact O-N 3.42Å; P796-S799 CarbonylContact O-C 3.58Å; P796-S799 WeakPolarHBondContact O-CA 3.47Å; P796-S799 WeakPolarHBondContact O-CB 3.4Å; P796-S799 PolarHBondContact O-N 2.98Å; P796-L800 PolarHBondContact O-N 3.24Å
797	L	79.8	Confident	83.7	Confident	34 Å²	34	32.6 Å²	32.6	18%	0.178	18%	0.177	C	C	.	.	H	α-helix	trans	-57.7	-38.2	-177.9	-168.6	64.2	0	0	0	112.6	Y633 L800 K801 S836 L840	Y633-L797 HydrophobicContact CE2-CD2 4.43Å; L797-L800 PolarHBondContact O-N 3.23Å; L797-K801 WeakPolarHBondContact O-CB 3.37Å; L797-K801 PolarHBondContact O-N 2.63Å; L797-S836 WeakPolarHBondContact CD1-O 3.47Å; L797-L840 HydrophobicContact CD1-CD1 4.16Å; L797-L840 HydrophobicContact CD1-CD2 4.03Å; L797-L840 HydrophobicContact CD1-CG 3.82Å; L797-L840 HydrophobicContact CG-CD2 4.05Å; L797-L840 HydrophobicContact CG-CG 4.4Å
798	E	83.1	Confident	84.3	Confident	84 Å²	84	29 Å²	29	39%	0.393	17%	0.166	S	C	.	.	H	α-helix	trans	-66.8	-40.8	173.4	-78.8	-64.6	137.4	0	0	112.4	P796 L800 K801 H802	P796-E798 VanDerWaalsContact C-N 3.27Å; P796-E798 PolarHBondContact O-N 3.42Å; E798-L800 VanDerWaalsContact C-N 3.34Å; E798-L800 PolarHBondContact O-N 3.08Å; E798-K801 WeakPolarHBondContact O-CB 3.3Å; E798-K801 PolarHBondContact O-N 2.66Å; E798-K801 WeakPolarHBondContact OE1-CD 3.14Å; E798-K801 IonicContact OE1-NZ 3.24Å; E798-K801 PolarHBondContact OE1-NZ 3.24Å; E798-K801 IonicContact OE2-NZ 2.67Å; E798-H802 PolarHBondContact O-N 3.42Å; E798-H802 PolarHBondContact O-ND1 3.47Å; E798-H802 IonicContact OE2-CE1 2.79Å
799	S	87.8	Confident	84.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-39.4	171.4	-81.3	0	0	0	0	112.3	D766 P796 H802 L803	D766-S799 PolarHBondContact OD1-OG 3.15Å; P796-S799 CarbonylContact O-C 3.58Å; P796-S799 WeakPolarHBondContact O-CA 3.47Å; P796-S799 WeakPolarHBondContact O-CB 3.4Å; P796-S799 PolarHBondContact O-N 2.98Å; S799-H802 PolarHBondContact O-N 2.94Å; S799-L803 WeakPolarHBondContact O-CG 2.98Å; S799-L803 PolarHBondContact O-N 2.73Å
800	L	90.6	Very high	84.4	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65	-38	174.4	-72.7	-179.6	0	0	0	113.1	V794 P795 P796 L797 E798 L803 G804 L833 S836 Y837 L840	V794-L800 HydrophobicContact CG2-CD1 3.83Å; P795-L800 HydrophobicContact CB-CD2 4.08Å; P795-L800 HydrophobicContact CB-CG 4.13Å; P795-L800 HydrophobicContact CG-CD2 3.74Å; P795-L800 HydrophobicContact CG-CG 4.29Å; P796-L800 PolarHBondContact O-N 3.24Å; L797-L800 PolarHBondContact O-N 3.23Å; E798-L800 VanDerWaalsContact C-N 3.34Å; E798-L800 PolarHBondContact O-N 3.08Å; L800-L803 HydrophobicContact CD2-CD1 4.26Å; L800-L803 WeakPolarHBondContact O-CB 3.24Å; L800-L803 PolarHBondContact O-N 3.32Å; L800-G804 PolarHBondContact O-N 3.22Å; L800-L833 HydrophobicContact CD1-CD2 4.05Å; L800-L833 HydrophobicContact CD2-CD2 3.56Å; L800-L833 HydrophobicContact CG-CD2 4.47Å; L800-S836 VanDerWaalsContact CD1-CB 3.45Å; L800-Y837 HydrophobicContact CB-CE1 4.43Å; L800-Y837 HydrophobicContact CD2-CE2 4.12Å; L800-Y837 PolarHBondContact O-OH 3Å; L800-L840 HydrophobicContact CB-CD1 4.11Å
801	K	92.6	Very high	84.9	Confident	34 Å²	34	31.4 Å²	31.4	15%	0.148	17%	0.168	C	C	.	.	H	α-helix	trans	-59.6	-45.9	172.7	175	172.6	173	174.5	0	111.8	L797 E798 L803 G804 V805 L840 D843 A848	L797-K801 WeakPolarHBondContact O-CB 3.37Å; L797-K801 PolarHBondContact O-N 2.63Å; E798-K801 WeakPolarHBondContact O-CB 3.3Å; E798-K801 PolarHBondContact O-N 2.66Å; E798-K801 WeakPolarHBondContact OE1-CD 3.14Å; E798-K801 IonicContact OE1-NZ 3.24Å; E798-K801 PolarHBondContact OE1-NZ 3.24Å; E798-K801 IonicContact OE2-NZ 2.67Å; K801-L803 PolarHBondContact O-N 2.81Å; K801-G804 WeakPolarHBondContact O-CA 3.01Å; K801-G804 PolarHBondContact O-N 3.18Å; K801-G804 VanDerWaalsContact O-N 3.14Å; K801-V805 WeakPolarHBondContact O-CG2 3.44Å; K801-V805 PolarHBondContact O-N 3.36Å; K801-L840 HydrophobicContact CB-CD1 4.2Å; K801-L840 HydrophobicContact CB-CD2 3.8Å; K801-L840 HydrophobicContact CD-CD2 4.25Å; K801-L840 HydrophobicContact CG-CD2 4.27Å; K801-D843 WeakPolarHBondContact CE-OD1 3.35Å; K801-D843 WeakPolarHBondContact CE-OD2 3.25Å; K801-D843 IonicContact NZ-OD1 3.58Å; K801-D843 PolarHBondContact NZ-OD1 3.28Å; K801-D843 IonicContact NZ-OD2 2.98Å; K801-D843 PolarHBondContact NZ-OD2 2.83Å; K801-A848 HydrophobicContact CD-CB 4.42Å; K801-A848 HydrophobicContact CG-CB 3.82Å
802	H	94.4	Very high	85.9	Confident	43 Å²	43	37.6 Å²	37.6	20%	0.199	19%	0.194	C	C	.	.	H	α-helix	trans	-66.9	-36.4	176.7	-68.6	78.4	0	0	0	112	L773 D774 E798 S799 V805 L806	L773-H802 HydrophobicContact CB-CB 4.09Å; L773-H802 HydrophobicContact CD1-CB 3.86Å; D774-H802 IonicContact OD1-CD2 3.12Å; D774-H802 PolarHBondContact OD1-CD2 2.99Å; D774-H802 IonicContact OD1-NE2 3.95Å; E798-H802 PolarHBondContact O-N 3.42Å; E798-H802 PolarHBondContact O-ND1 3.47Å; E798-H802 IonicContact OE2-CE1 2.79Å; S799-H802 PolarHBondContact O-N 2.94Å; H802-V805 PolarHBondContact O-N 3.29Å; H802-L806 WeakPolarHBondContact O-CG 3.36Å; H802-L806 PolarHBondContact O-N 3.47Å
803	L	94.8	Very high	87.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.7	-40.1	169.4	-69.3	172.3	0	0	0	112.2	L773 V785 L788 S799 L800 K801 L806 L807 V818 Y821	L773-L803 HydrophobicContact CD1-CD2 4.05Å; L773-L803 HydrophobicContact CD1-CG 3.98Å; L773-L803 HydrophobicContact CD2-CD2 3.71Å; V785-L803 HydrophobicContact CG2-CD2 3.95Å; L788-L803 HydrophobicContact CD1-CD1 3.87Å; S799-L803 WeakPolarHBondContact O-CG 2.98Å; S799-L803 PolarHBondContact O-N 2.73Å; L800-L803 HydrophobicContact CD2-CD1 4.26Å; L800-L803 WeakPolarHBondContact O-CB 3.24Å; L800-L803 PolarHBondContact O-N 3.32Å; K801-L803 PolarHBondContact O-N 2.81Å; L803-L806 PolarHBondContact O-N 3.11Å; L803-L807 PolarHBondContact O-N 3.46Å; L803-L807 VanDerWaalsContact O-N 3.09Å; L803-V818 HydrophobicContact CB-CG1 4.03Å; L803-V818 HydrophobicContact CD2-CG1 4.15Å; L803-V818 HydrophobicContact CD2-CG2 3.89Å; L803-Y821 HydrophobicContact CD1-CE1 4.37Å
804	G	95.6	Very high	88.5	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-49.2	173.6	0	0	0	0	0	112.2	L800 K801 L806 L807 A808 G851	L800-G804 PolarHBondContact O-N 3.22Å; K801-G804 WeakPolarHBondContact O-CA 3.01Å; K801-G804 PolarHBondContact O-N 3.18Å; K801-G804 VanDerWaalsContact O-N 3.14Å; G804-L806 PolarHBondContact O-N 2.94Å; G804-L807 CarbonylContact O-C 3.27Å; G804-L807 WeakPolarHBondContact O-CA 3.3Å; G804-L807 WeakPolarHBondContact O-CB 3.41Å; G804-L807 PolarHBondContact O-N 3.16Å; G804-A808 PolarHBondContact O-N 3.15Å; G804-G851 WeakPolarHBondContact O-CA 3.33Å
805	V	96	Very high	89.4	Confident	10 Å²	10	37.2 Å²	37.2	6%	0.061	17%	0.174	C	C	.	.	H	α-helix	trans	-56.6	-39.2	175.7	171.2	0	0	0	0	111.3	K801 H802 A808 R809 D847 A848	K801-V805 WeakPolarHBondContact O-CG2 3.44Å; K801-V805 PolarHBondContact O-N 3.36Å; H802-V805 PolarHBondContact O-N 3.29Å; V805-A808 WeakPolarHBondContact O-CB 3.36Å; V805-A808 PolarHBondContact O-N 3.36Å; V805-A808 VanDerWaalsContact O-N 3.14Å; V805-R809 HydrophobicContact CG1-CG 4.43Å; V805-R809 PolarHBondContact O-N 3.29Å; V805-D847 HydrophobicContact CB-CB 4.48Å; V805-D847 HydrophobicContact CG1-CB 4.18Å; V805-D847 HydrophobicContact CG2-CB 3.95Å; V805-A848 HydrophobicContact CG2-CB 4.34Å
806	L	95.7	Very high	90.1	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-65	-36.8	173.8	-69	173.7	0	0	0	112.9	L773 E776 V781 H802 L803 G804 A808 G810 I814 S815 V818	L773-L806 HydrophobicContact CB-CD1 4.23Å; L773-L806 HydrophobicContact CD2-CD1 3.89Å; E776-L806 HydrophobicContact CB-CD2 4.37Å; E776-L806 HydrophobicContact CG-CD2 3.89Å; V781-L806 HydrophobicContact CG1-CD1 3.92Å; V781-L806 HydrophobicContact CG2-CD1 3.81Å; H802-L806 WeakPolarHBondContact O-CG 3.36Å; H802-L806 PolarHBondContact O-N 3.47Å; L803-L806 PolarHBondContact O-N 3.11Å; G804-L806 PolarHBondContact O-N 2.94Å; L806-A808 VanDerWaalsContact C-N 3.33Å; L806-G810 VanDerWaalsContact O-CA 3.22Å; L806-G810 WeakPolarHBondContact O-CA 3.4Å; L806-G810 PolarHBondContact O-N 3.05Å; L806-I814 HydrophobicContact CB-CG2 4.22Å; L806-I814 HydrophobicContact CD1-CG2 4.21Å; L806-I814 HydrophobicContact CD2-CG2 4.19Å; L806-I814 HydrophobicContact CG-CG2 4.45Å; L806-S815 PolarHBondContact O-OG 3.11Å; L806-V818 HydrophobicContact CB-CG2 4.49Å
807	L	94.6	Very high	90.8	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-66.4	-35.9	169.8	-65.1	170.1	0	0	0	111.9	L803 G804 V818 E819 L822 K854 A855 I858	L803-L807 PolarHBondContact O-N 3.46Å; L803-L807 VanDerWaalsContact O-N 3.09Å; G804-L807 CarbonylContact O-C 3.27Å; G804-L807 WeakPolarHBondContact O-CA 3.3Å; G804-L807 WeakPolarHBondContact O-CB 3.41Å; G804-L807 PolarHBondContact O-N 3.16Å; L807-V818 HydrophobicContact CD1-CG1 3.98Å; L807-V818 HydrophobicContact CD2-CB 3.8Å; L807-V818 HydrophobicContact CD2-CG1 3.83Å; L807-V818 HydrophobicContact CG-CB 4.2Å; L807-V818 HydrophobicContact CG-CG1 3.77Å; L807-E819 HydrophobicContact CD2-CG 3.71Å; L807-L822 HydrophobicContact CD1-CD1 3.7Å; L807-K854 HydrophobicContact CB-CB 4.2Å; L807-K854 HydrophobicContact CB-CD 4.26Å; L807-K854 WeakPolarHBondContact O-CD 3.31Å; L807-K854 PolarHBondContact O-NZ 3.39Å; L807-A855 HydrophobicContact CD1-CB 4.07Å; L807-I858 HydrophobicContact CD1-CD1 4.4Å
808	A	92.6	Very high	91.5	Very high	14 Å²	14	41.1 Å²	41.1	12%	0.116	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-52.6	-178.9	0	0	0	0	0	111.9	G804 V805 L806 D847 L850 K854	G804-A808 PolarHBondContact O-N 3.15Å; V805-A808 WeakPolarHBondContact O-CB 3.36Å; V805-A808 PolarHBondContact O-N 3.36Å; V805-A808 VanDerWaalsContact O-N 3.14Å; L806-A808 VanDerWaalsContact C-N 3.33Å; A808-D847 HydrophobicContact CB-CB 4.38Å; A808-D847 VanDerWaalsContact CB-O 3.24Å; A808-D847 WeakPolarHBondContact CB-O 3.34Å; A808-L850 HydrophobicContact CB-CB 4.37Å; A808-L850 HydrophobicContact CB-CD2 4.42Å; A808-L850 HydrophobicContact CB-CG 4.38Å; A808-K854 PolarHBondContact O-NZ 3.44Å
809	R	88.1	Confident	92.1	Very high	134 Å²	134	39.3 Å²	39.3	51%	0.506	18%	0.183	S	C	.	.	H	α-helix	trans	-128.1	-6.5	-167.7	81.5	-165.1	-171.8	-162.3	-0.4	116.4	E776 V805 D847	E776-R809 IonicContact OE1-CZ 2.78Å; E776-R809 IonicContact OE1-NE 3.92Å; E776-R809 PolarHBondContact OE1-NE 3.4Å; E776-R809 VanDerWaalsContact OE1-NE 3.1Å; E776-R809 IonicContact OE1-NH2 3.72Å; E776-R809 PolarHBondContact OE1-NH2 3.32Å; V805-R809 HydrophobicContact CG1-CG 4.43Å; V805-R809 PolarHBondContact O-N 3.29Å; R809-D847 VanDerWaalsContact CD-OD2 3.29Å; R809-D847 WeakPolarHBondContact CD-OD2 3.41Å; R809-D847 IonicContact CZ-OD2 3.51Å; R809-D847 IonicContact NE-OD2 2.74Å; R809-D847 IonicContact NH1-OD2 3.44Å; R809-D847 PolarHBondContact NH1-OD2 3.36Å
810	G	78.1	Confident	92.4	Very high	17 Å²	17	44.1 Å²	44.1	18%	0.175	21%	0.205	C	C	.	.	S	Bend	trans	-69.2	165.2	-173.4	0	0	0	0	0	114.2	L806 F812	L806-G810 VanDerWaalsContact O-CA 3.22Å; L806-G810 WeakPolarHBondContact O-CA 3.4Å; L806-G810 PolarHBondContact O-N 3.05Å; G810-F812 PolarHBondContact O-N 2.86Å
811	D	87.3	Confident	92.5	Very high	65 Å²	65	44.5 Å²	44.5	35%	0.348	21%	0.207	S	C	.	.			trans	-51.7	135.1	167.1	177.8	-28.2	0	0	0	109.6	R813 I814 S815	D811-R813 PolarHBondContact O-N 3.15Å; D811-R813 WeakPolarHBondContact OD1-CB 3.45Å; D811-R813 WeakPolarHBondContact OD1-CG 3.43Å; D811-R813 PolarHBondContact OD1-N 3.33Å; D811-R813 IonicContact OD1-NE 3.4Å; D811-R813 PolarHBondContact OD1-NE 2.89Å; D811-R813 IonicContact OD2-CZ 3.9Å; D811-R813 VanDerWaalsContact OD2-CZ 3.24Å; D811-R813 IonicContact OD2-NE 2.65Å; D811-R813 PolarHBondContact OD2-NE 2.66Å; D811-R813 IonicContact OD2-NH2 3.7Å; D811-R813 PolarHBondContact OD2-NH2 3.42Å; D811-I814 HydrophobicContact CB-CD1 4.09Å; D811-I814 HydrophobicContact CB-CG1 4.14Å; D811-I814 WeakPolarHBondContact O-CA 3.25Å; D811-I814 WeakPolarHBondContact O-CB 3.28Å; D811-I814 PolarHBondContact O-N 3.04Å; D811-S815 PolarHBondContact O-N 2.97Å; D811-S815 PolarHBondContact O-OG 3.15Å
812	F	89.8	Confident	92.6	Very high	148 Å²	148	42.9 Å²	42.9	65%	0.649	20%	0.2	S	C	*	.	H	α-helix	trans	-42.2	-40	175.4	175.2	-101.9	0	0	0	113.5	G810 I814 S815 M816	G810-F812 PolarHBondContact O-N 2.86Å; F812-I814 VanDerWaalsContact C-N 3.33Å; F812-I814 PolarHBondContact O-N 3.48Å; F812-S815 PolarHBondContact O-N 3.4Å; F812-M816 HydrophobicContact CD1-CG 4.46Å; F812-M816 HydrophobicContact CD1-SD 4.19Å; F812-M816 HydrophobicContact CE1-CG 4.05Å; F812-M816 HydrophobicContact CE1-SD 3.44Å; F812-M816 WeakPolarHBondContact CE1-SD 3.49Å; F812-M816 HydrophobicContact CE2-CG 4.38Å; F812-M816 HydrophobicContact CZ-CG 4Å; F812-M816 HydrophobicContact CZ-SD 3.69Å; F812-M816 WeakPolarHBondContact O-CG 3.27Å; F812-M816 PolarHBondContact O-N 2.97Å
813	R	92.6	Very high	92.6	Very high	142 Å²	142	47.2 Å²	47.2	54%	0.536	22%	0.215	S	C	.	.	H	α-helix	trans	-68	-30.6	178.5	-59.4	176	-66.8	171.7	-0.1	113.4	I778 D811 I817	I778-R813 HydrophobicContact CD1-CB 3.66Å; D811-R813 PolarHBondContact O-N 3.15Å; D811-R813 WeakPolarHBondContact OD1-CB 3.45Å; D811-R813 WeakPolarHBondContact OD1-CG 3.43Å; D811-R813 PolarHBondContact OD1-N 3.33Å; D811-R813 IonicContact OD1-NE 3.4Å; D811-R813 PolarHBondContact OD1-NE 2.89Å; D811-R813 IonicContact OD2-CZ 3.9Å; D811-R813 VanDerWaalsContact OD2-CZ 3.24Å; D811-R813 IonicContact OD2-NE 2.65Å; D811-R813 PolarHBondContact OD2-NE 2.66Å; D811-R813 IonicContact OD2-NH2 3.7Å; D811-R813 PolarHBondContact OD2-NH2 3.42Å; R813-I817 WeakPolarHBondContact O-CD1 3.13Å; R813-I817 WeakPolarHBondContact O-CG1 3.38Å
814	I	93.2	Very high	92.4	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-76.7	-44.5	175	-62.4	176.9	0	0	0	109.3	E776 I778 V781 L806 D811 F812 M816 I817 V818	E776-I814 WeakPolarHBondContact O-CD1 3.33Å; I778-I814 HydrophobicContact CB-CG1 4.17Å; I778-I814 HydrophobicContact CG1-CG1 4.28Å; V781-I814 HydrophobicContact CB-CG2 4.24Å; V781-I814 HydrophobicContact CG1-CG2 3.92Å; V781-I814 HydrophobicContact CG2-CG2 4.08Å; L806-I814 HydrophobicContact CB-CG2 4.22Å; L806-I814 HydrophobicContact CD1-CG2 4.21Å; L806-I814 HydrophobicContact CD2-CG2 4.19Å; L806-I814 HydrophobicContact CG-CG2 4.45Å; D811-I814 HydrophobicContact CB-CD1 4.09Å; D811-I814 HydrophobicContact CB-CG1 4.14Å; D811-I814 WeakPolarHBondContact O-CA 3.25Å; D811-I814 WeakPolarHBondContact O-CB 3.28Å; D811-I814 PolarHBondContact O-N 3.04Å; F812-I814 VanDerWaalsContact C-N 3.33Å; F812-I814 PolarHBondContact O-N 3.48Å; I814-M816 VanDerWaalsContact C-N 3.33Å; I814-M816 PolarHBondContact O-N 3.35Å; I814-I817 WeakPolarHBondContact O-CB 3.28Å; I814-I817 PolarHBondContact O-N 2.87Å; I814-V818 PolarHBondContact O-N 3.46Å; I814-V818 VanDerWaalsContact O-N 3.11Å
815	S	92.9	Very high	92	Very high	13 Å²	13	52.2 Å²	52.2	9%	0.091	24%	0.243	C	C	.	.	H	α-helix	trans	-55.1	-48.6	173.9	-52.9	0	0	0	0	110.9	L806 D811 F812 I817 V818 E819	L806-S815 PolarHBondContact O-OG 3.11Å; D811-S815 PolarHBondContact O-N 2.97Å; D811-S815 PolarHBondContact O-OG 3.15Å; F812-S815 PolarHBondContact O-N 3.4Å; S815-I817 VanDerWaalsContact C-N 3.26Å; S815-I817 PolarHBondContact O-N 3.15Å; S815-V818 PolarHBondContact O-N 2.88Å; S815-V818 VanDerWaalsContact O-N 3.1Å; S815-E819 WeakPolarHBondContact O-CB 3.47Å; S815-E819 VanDerWaalsContact O-CG 3.26Å; S815-E819 WeakPolarHBondContact O-CG 3.28Å; S815-E819 PolarHBondContact O-N 3.09Å
816	M	93.3	Very high	91.4	Very high	102 Å²	102	57.3 Å²	57.3	50%	0.502	27%	0.27	S	S	.	.	H	α-helix	trans	-53.6	-37.4	174.9	-76	-167.5	77.7	0	0	114.2	F812 I814 Q820	F812-M816 HydrophobicContact CD1-CG 4.46Å; F812-M816 HydrophobicContact CD1-SD 4.19Å; F812-M816 HydrophobicContact CE1-CG 4.05Å; F812-M816 HydrophobicContact CE1-SD 3.44Å; F812-M816 WeakPolarHBondContact CE1-SD 3.49Å; F812-M816 HydrophobicContact CE2-CG 4.38Å; F812-M816 HydrophobicContact CZ-CG 4Å; F812-M816 HydrophobicContact CZ-SD 3.69Å; F812-M816 WeakPolarHBondContact O-CG 3.27Å; F812-M816 PolarHBondContact O-N 2.97Å; I814-M816 VanDerWaalsContact C-N 3.33Å; I814-M816 PolarHBondContact O-N 3.35Å; M816-Q820 WeakPolarHBondContact O-CB 3.36Å; M816-Q820 PolarHBondContact O-N 2.91Å
817	I	94.4	Very high	90.8	Very high	43 Å²	43	59.9 Å²	59.9	22%	0.221	30%	0.297	C	S	.	.	H	α-helix	trans	-68.7	-46	178.5	-69	161.4	0	0	0	110.5	I778 A782 V785 R813 I814 S815 Q820 Y821	I778-I817 HydrophobicContact CD1-CD1 4.1Å; I778-I817 HydrophobicContact CG1-CD1 3.5Å; I778-I817 VanDerWaalsContact CG1-CD1 3.5Å; A782-I817 HydrophobicContact CB-CD1 4.27Å; V785-I817 HydrophobicContact CB-CG2 3.89Å; V785-I817 HydrophobicContact CG1-CG2 3.88Å; V785-I817 HydrophobicContact CG2-CG2 4.1Å; R813-I817 WeakPolarHBondContact O-CD1 3.13Å; R813-I817 WeakPolarHBondContact O-CG1 3.38Å; I814-I817 WeakPolarHBondContact O-CB 3.28Å; I814-I817 PolarHBondContact O-N 2.87Å; S815-I817 VanDerWaalsContact C-N 3.26Å; S815-I817 PolarHBondContact O-N 3.15Å; I817-Q820 PolarHBondContact O-N 3.5Å; I817-Y821 PolarHBondContact O-N 3.49Å
818	V	94.9	Very high	89.9	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-67.3	-44.6	178.6	-178.3	0	0	0	0	110.6	V781 V785 L803 L806 L807 I814 S815 Q820 Y821 L822	V781-V818 HydrophobicContact CG1-CG2 4.21Å; V785-V818 HydrophobicContact CG2-CG2 4.42Å; L803-V818 HydrophobicContact CB-CG1 4.03Å; L803-V818 HydrophobicContact CD2-CG1 4.15Å; L803-V818 HydrophobicContact CD2-CG2 3.89Å; L806-V818 HydrophobicContact CB-CG2 4.49Å; L807-V818 HydrophobicContact CD1-CG1 3.98Å; L807-V818 HydrophobicContact CD2-CB 3.8Å; L807-V818 HydrophobicContact CD2-CG1 3.83Å; L807-V818 HydrophobicContact CG-CB 4.2Å; L807-V818 HydrophobicContact CG-CG1 3.77Å; I814-V818 PolarHBondContact O-N 3.46Å; I814-V818 VanDerWaalsContact O-N 3.11Å; S815-V818 PolarHBondContact O-N 2.88Å; S815-V818 VanDerWaalsContact O-N 3.1Å; V818-Q820 VanDerWaalsContact C-N 3.32Å; V818-Q820 PolarHBondContact O-N 3.09Å; V818-Y821 WeakPolarHBondContact O-CB 3.26Å; V818-Y821 PolarHBondContact O-N 3.47Å; V818-L822 HydrophobicContact CG1-CD1 4.37Å; V818-L822 WeakPolarHBondContact O-CG 3.37Å; V818-L822 PolarHBondContact O-N 2.97Å
819	E	95.1	Very high	89.3	Confident	47 Å²	47	67.8 Å²	67.8	22%	0.22	33%	0.332	C	S	.	.	H	α-helix	trans	-57.9	-41.9	175.6	-69.6	179.7	-155.7	0	0	112.3	L807 S815 Y821 L822 R823 I858	L807-E819 HydrophobicContact CD2-CG 3.71Å; S815-E819 WeakPolarHBondContact O-CB 3.47Å; S815-E819 VanDerWaalsContact O-CG 3.26Å; S815-E819 WeakPolarHBondContact O-CG 3.28Å; S815-E819 PolarHBondContact O-N 3.09Å; E819-Y821 VanDerWaalsContact C-N 3.29Å; E819-Y821 PolarHBondContact O-N 2.85Å; E819-L822 PolarHBondContact O-N 3.38Å; E819-R823 WeakPolarHBondContact O-CB 3.48Å; E819-R823 WeakPolarHBondContact O-CG 3.24Å; E819-R823 PolarHBondContact O-N 2.83Å; E819-R823 IonicContact OE2-CZ 2.7Å; E819-R823 IonicContact OE2-NH1 3.18Å; E819-R823 PolarHBondContact OE2-NH1 3.37Å; E819-R823 IonicContact OE2-NH2 3.91Å; E819-R823 PolarHBondContact OE2-NH2 3.47Å; E819-I858 HydrophobicContact CB-CD1 4.15Å; E819-I858 HydrophobicContact CG-CD1 3.71Å
820	Q	94.2	Very high	89.1	Confident	100 Å²	100	63.8 Å²	63.8	47%	0.467	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-35.9	179.4	-175.7	60.7	65.4	0	0	112.1	M816 I817 V818 N824	M816-Q820 WeakPolarHBondContact O-CB 3.36Å; M816-Q820 PolarHBondContact O-N 2.91Å; I817-Q820 PolarHBondContact O-N 3.5Å; V818-Q820 VanDerWaalsContact C-N 3.32Å; V818-Q820 PolarHBondContact O-N 3.09Å; Q820-N824 PolarHBondContact NE2-OD1 3.49Å; Q820-N824 PolarHBondContact O-N 3.36Å; Q820-N824 PolarHBondContact O-ND2 3.36Å; Q820-N824 PolarHBondContact O-OD1 3Å
821	Y	93.1	Very high	89.1	Confident	8 Å²	8	65.3 Å²	65.3	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-66.5	-45.6	173.1	161.7	-105.7	0	0	0	111.7	V785 L788 P795 L803 I817 V818 E819 R823 N824 A825	V785-Y821 VanDerWaalsContact CG1-CB 3.42Å; V785-Y821 HydrophobicContact CG1-CG 3.99Å; L788-Y821 HydrophobicContact CB-CD2 4.33Å; L788-Y821 HydrophobicContact CB-CE2 3.71Å; P795-Y821 VanDerWaalsContact CG-OH 3.3Å; P795-Y821 WeakPolarHBondContact CG-OH 3.47Å; L803-Y821 HydrophobicContact CD1-CE1 4.37Å; I817-Y821 PolarHBondContact O-N 3.49Å; V818-Y821 WeakPolarHBondContact O-CB 3.26Å; V818-Y821 PolarHBondContact O-N 3.47Å; E819-Y821 VanDerWaalsContact C-N 3.29Å; E819-Y821 PolarHBondContact O-N 2.85Å; Y821-R823 PolarHBondContact O-N 3.28Å; Y821-N824 PolarHBondContact O-N 3.33Å; Y821-N824 VanDerWaalsContact O-N 3.16Å; Y821-A825 PolarHBondContact O-N 3.02Å
822	L	94.1	Very high	88.6	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-40.6	178	-63.7	-177.3	0	0	0	112.5	L807 V818 E819 N824 A825 L833 Y837 A855 I858 F859	L807-L822 HydrophobicContact CD1-CD1 3.7Å; V818-L822 HydrophobicContact CG1-CD1 4.37Å; V818-L822 WeakPolarHBondContact O-CG 3.37Å; V818-L822 PolarHBondContact O-N 2.97Å; E819-L822 PolarHBondContact O-N 3.38Å; L822-N824 PolarHBondContact O-N 3.05Å; L822-A825 WeakPolarHBondContact O-CB 3.28Å; L822-A825 PolarHBondContact O-N 2.92Å; L822-L833 HydrophobicContact CD2-CD1 4.4Å; L822-Y837 HydrophobicContact CD1-CE2 4.41Å; L822-Y837 HydrophobicContact CD2-CE2 3.93Å; L822-A855 HydrophobicContact CD1-CB 3.71Å; L822-I858 HydrophobicContact CB-CD1 4.47Å; L822-I858 HydrophobicContact CB-CG2 4.11Å; L822-I858 HydrophobicContact CD1-CD1 3.96Å; L822-F859 HydrophobicContact CB-CE1 3.92Å; L822-F859 HydrophobicContact CB-CZ 4.47Å; L822-F859 HydrophobicContact CD2-CE1 4.23Å; L822-F859 HydrophobicContact CD2-CZ 4.03Å
823	R	94.4	Very high	88.4	Confident	134 Å²	134	58.5 Å²	58.5	51%	0.506	30%	0.298	S	S	.	.	H	α-helix	trans	-64	-23.3	174.3	-73.3	-175.1	-174.1	105.1	10.6	113.9	E819 Y821 I858	E819-R823 WeakPolarHBondContact O-CB 3.48Å; E819-R823 WeakPolarHBondContact O-CG 3.24Å; E819-R823 PolarHBondContact O-N 2.83Å; E819-R823 IonicContact OE2-CZ 2.7Å; E819-R823 IonicContact OE2-NH1 3.18Å; E819-R823 PolarHBondContact OE2-NH1 3.37Å; E819-R823 IonicContact OE2-NH2 3.91Å; E819-R823 PolarHBondContact OE2-NH2 3.47Å; Y821-R823 PolarHBondContact O-N 3.28Å; R823-I858 HydrophobicContact CB-CG2 4.44Å; R823-I858 HydrophobicContact CG-CG2 3.41Å; R823-I858 VanDerWaalsContact CG-CG2 3.41Å
824	N	90.7	Very high	87.9	Confident	91 Å²	91	51.8 Å²	51.8	49%	0.487	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-12	178.2	-70.3	-11.1	0	0	0	112.9	Q820 Y821 L822 N826	Q820-N824 PolarHBondContact NE2-OD1 3.49Å; Q820-N824 PolarHBondContact O-N 3.36Å; Q820-N824 PolarHBondContact O-ND2 3.36Å; Q820-N824 PolarHBondContact O-OD1 3Å; Y821-N824 PolarHBondContact O-N 3.33Å; Y821-N824 VanDerWaalsContact O-N 3.16Å; L822-N824 PolarHBondContact O-N 3.05Å; N824-N826 PolarHBondContact O-ND2 2.94Å
825	A	87.4	Confident	87.3	Confident	13 Å²	13	51.9 Å²	51.9	11%	0.107	27%	0.274	C	S	.	.			trans	-66.3	135.9	179.2	0	0	0	0	0	111.5	Y821 L822 L829 L830 L833	Y821-A825 PolarHBondContact O-N 3.02Å; L822-A825 WeakPolarHBondContact O-CB 3.28Å; L822-A825 PolarHBondContact O-N 2.92Å; A825-L829 HydrophobicContact CB-CG 4.39Å; A825-L830 HydrophobicContact CB-CB 4.33Å; A825-L830 HydrophobicContact CB-CD1 4.28Å; A825-L833 HydrophobicContact CB-CD1 3.58Å
826	N	83.8	Confident	86.8	Confident	118 Å²	118	51.7 Å²	51.7	63%	0.631	27%	0.273	S	S	*	.			trans	-149.9	165.6	-179.2	60.2	78.8	0	0	0	111.1	N824 H828 L829 L830	N824-N826 PolarHBondContact O-ND2 2.94Å; N826-H828 PolarHBondContact O-N 2.94Å; N826-L829 PolarHBondContact O-N 3Å; N826-L830 PolarHBondContact O-N 3.41Å
827	G	83	Confident	86.6	Confident	57 Å²	57	46.8 Å²	46.8	59%	0.588	25%	0.249	S	C	*	.	H	α-helix	trans	57	-135.7	179.5	0	0	0	0	0	112.8	L829 L830 S831	G827-L829 PolarHBondContact O-N 3.44Å; G827-L830 PolarHBondContact O-N 2.96Å; G827-S831 PolarHBondContact O-N 3.42Å
828	H	75.5	Confident	86.2	Confident	161 Å²	161	45 Å²	45	75%	0.745	24%	0.24	S	C	*	.	H	α-helix	trans	-59.2	-42.2	179.9	-64	-71.5	0	0	0	112.9	N826 L830 S831 D832	N826-H828 PolarHBondContact O-N 2.94Å; H828-L830 PolarHBondContact O-N 3.34Å; H828-S831 WeakPolarHBondContact O-CA 3.34Å; H828-S831 WeakPolarHBondContact O-CB 3.28Å; H828-S831 PolarHBondContact O-N 2.9Å; H828-D832 VanDerWaalsContact O-CG 3.28Å; H828-D832 PolarHBondContact O-N 2.81Å
829	L	79.4	Confident	85.7	Confident	26 Å²	26	45.3 Å²	45.3	14%	0.136	24%	0.242	C	C	.	.	H	α-helix	trans	-58	-36.7	179.8	178.9	61.9	0	0	0	112.4	V794 A825 N826 G827 L833	V794-L829 HydrophobicContact CB-CD1 4.39Å; A825-L829 HydrophobicContact CB-CG 4.39Å; N826-L829 PolarHBondContact O-N 3Å; G827-L829 PolarHBondContact O-N 3.44Å; L829-L833 HydrophobicContact CD1-CD1 4.03Å; L829-L833 HydrophobicContact CD1-CG 4.12Å; L829-L833 HydrophobicContact CG-CD1 3.9Å; L829-L833 HydrophobicContact CG-CG 4.44Å; L829-L833 VanDerWaalsContact O-CB 3.29Å; L829-L833 WeakPolarHBondContact O-CB 3.08Å; L829-L833 WeakPolarHBondContact O-CD1 3.38Å; L829-L833 WeakPolarHBondContact O-CG 3.36Å; L829-L833 PolarHBondContact O-N 2.94Å
830	L	84.9	Confident	85.4	Confident	50 Å²	50	43.2 Å²	43.2	26%	0.262	23%	0.232	S	C	.	.	H	α-helix	trans	-67.3	-41.4	175.4	178.7	61.8	0	0	0	111.9	A825 N826 G827 H828 L834 F859	A825-L830 HydrophobicContact CB-CB 4.33Å; A825-L830 HydrophobicContact CB-CD1 4.28Å; N826-L830 PolarHBondContact O-N 3.41Å; G827-L830 PolarHBondContact O-N 2.96Å; H828-L830 PolarHBondContact O-N 3.34Å; L830-L834 VanDerWaalsContact O-CB 3.22Å; L830-L834 WeakPolarHBondContact O-CB 3.43Å; L830-L834 PolarHBondContact O-N 3.32Å; L830-F859 HydrophobicContact CD1-CB 4.1Å; L830-F859 HydrophobicContact CD1-CD1 3.37Å; L830-F859 HydrophobicContact CD1-CE1 3.86Å; L830-F859 HydrophobicContact CD1-CG 3.77Å
831	S	77.6	Confident	85.3	Confident	49 Å²	49	38.7 Å²	38.7	34%	0.343	21%	0.211	S	C	.	.	H	α-helix	trans	-62.5	-43.5	175.9	-178.2	0	0	0	0	111.8	G827 H828 S835	G827-S831 PolarHBondContact O-N 3.42Å; H828-S831 WeakPolarHBondContact O-CA 3.34Å; H828-S831 WeakPolarHBondContact O-CB 3.28Å; H828-S831 PolarHBondContact O-N 2.9Å; S831-S835 WeakPolarHBondContact O-CB 3.47Å; S831-S835 PolarHBondContact O-N 3.3Å; S831-S835 PolarHBondContact O-OG 2.59Å
832	D	77.3	Confident	85	Confident	69 Å²	69	39.3 Å²	39.3	37%	0.369	21%	0.214	S	C	.	.	H	α-helix	trans	-71.2	-40.4	-178.3	-59.4	-22.1	0	0	0	111.5	V794 H828 S835 S836	V794-D832 HydrophobicContact CB-CB 3.88Å; V794-D832 HydrophobicContact CG1-CB 4.21Å; V794-D832 HydrophobicContact CG2-CB 4.21Å; H828-D832 VanDerWaalsContact O-CG 3.28Å; H828-D832 PolarHBondContact O-N 2.81Å; D832-S835 PolarHBondContact O-N 3.22Å; D832-S836 VanDerWaalsContact O-CB 3.31Å; D832-S836 WeakPolarHBondContact O-CB 3.38Å; D832-S836 PolarHBondContact O-N 2.9Å; D832-S836 PolarHBondContact O-OG 3.33Å
833	L	83.8	Confident	84.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-45.1	173.4	-76.4	169.1	0	0	0	111.9	V794 L800 L822 A825 L829 S835 S836 Y837 F859	V794-L833 HydrophobicContact CG2-CD2 4.01Å; V794-L833 HydrophobicContact CG2-CG 4.32Å; L800-L833 HydrophobicContact CD1-CD2 4.05Å; L800-L833 HydrophobicContact CD2-CD2 3.56Å; L800-L833 HydrophobicContact CG-CD2 4.47Å; L822-L833 HydrophobicContact CD2-CD1 4.4Å; A825-L833 HydrophobicContact CB-CD1 3.58Å; L829-L833 HydrophobicContact CD1-CD1 4.03Å; L829-L833 HydrophobicContact CD1-CG 4.12Å; L829-L833 HydrophobicContact CG-CD1 3.9Å; L829-L833 HydrophobicContact CG-CG 4.44Å; L829-L833 VanDerWaalsContact O-CB 3.29Å; L829-L833 WeakPolarHBondContact O-CB 3.08Å; L829-L833 WeakPolarHBondContact O-CD1 3.38Å; L829-L833 WeakPolarHBondContact O-CG 3.36Å; L829-L833 PolarHBondContact O-N 2.94Å; L833-S835 VanDerWaalsContact C-N 3.32Å; L833-S835 PolarHBondContact O-N 3.36Å; L833-S836 PolarHBondContact O-N 2.9Å; L833-Y837 HydrophobicContact CD2-CE2 4.29Å; L833-Y837 VanDerWaalsContact O-CD2 3.27Å; L833-Y837 WeakPolarHBondContact O-CD2 3.41Å; L833-Y837 PolarHBondContact O-N 3.45Å; L833-F859 HydrophobicContact CB-CE2 4.28Å; L833-F859 HydrophobicContact CB-CZ 3.81Å
834	L	83.2	Confident	84.5	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-44.4	177	-179.2	149.1	0	0	0	110.8	V344 L830 Y837 L838 L856 F859 N861 I864	V344-L834 HydrophobicContact CB-CD2 4.33Å; V344-L834 HydrophobicContact CG1-CD2 3.8Å; V344-L834 HydrophobicContact CG2-CD2 3.58Å; L830-L834 VanDerWaalsContact O-CB 3.22Å; L830-L834 WeakPolarHBondContact O-CB 3.43Å; L830-L834 PolarHBondContact O-N 3.32Å; L834-Y837 PolarHBondContact O-N 2.93Å; L834-L838 HydrophobicContact CD2-CD1 3.75Å; L834-L838 HydrophobicContact CD2-CG 4.47Å; L834-L838 WeakPolarHBondContact O-CG 3.44Å; L834-L838 PolarHBondContact O-N 3Å; L834-L856 HydrophobicContact CG-CD2 4.08Å; L834-F859 HydrophobicContact CB-CD2 4.09Å; L834-F859 HydrophobicContact CB-CE2 4.37Å; L834-F859 HydrophobicContact CD1-CB 4.46Å; L834-F859 HydrophobicContact CD1-CD2 4.49Å; L834-F859 HydrophobicContact CG-CD2 4.47Å; L834-N861 HydrophobicContact CD1-CB 3.57Å; L834-N861 WeakPolarHBondContact CD1-ND2 3.38Å; L834-I864 HydrophobicContact CD1-CG2 4.24Å; L834-I864 HydrophobicContact CD2-CG2 3.8Å; L834-I864 HydrophobicContact CG-CG2 4.27Å
835	S	79.2	Confident	84.6	Confident	6 Å²	6	38.4 Å²	38.4	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-43.9	176.6	-51.1	0	0	0	0	111.8	V344 S831 D832 L833 Y837 L838 C839	V344-S835 WeakPolarHBondContact CG2-OG 3.47Å; S831-S835 WeakPolarHBondContact O-CB 3.47Å; S831-S835 PolarHBondContact O-N 3.3Å; S831-S835 PolarHBondContact O-OG 2.59Å; D832-S835 PolarHBondContact O-N 3.22Å; L833-S835 VanDerWaalsContact C-N 3.32Å; L833-S835 PolarHBondContact O-N 3.36Å; S835-Y837 PolarHBondContact O-N 3.07Å; S835-L838 WeakPolarHBondContact O-CB 3.33Å; S835-L838 PolarHBondContact O-N 3.24Å; S835-C839 PolarHBondContact O-N 3.05Å; S835-C839 VanDerWaalsContact O-N 3.15Å; S835-C839 PolarHBondContact O-SG 3.06Å
836	S	83.8	Confident	85	Confident	9 Å²	9	40.4 Å²	40.4	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-40.7	178	-58.5	0	0	0	0	112.8	L797 L800 D832 L833 C839 L840	L797-S836 WeakPolarHBondContact CD1-O 3.47Å; L800-S836 VanDerWaalsContact CD1-CB 3.45Å; D832-S836 VanDerWaalsContact O-CB 3.31Å; D832-S836 WeakPolarHBondContact O-CB 3.38Å; D832-S836 PolarHBondContact O-N 2.9Å; D832-S836 PolarHBondContact O-OG 3.33Å; L833-S836 PolarHBondContact O-N 2.9Å; S836-C839 WeakPolarHBondContact O-CB 3.48Å; S836-C839 PolarHBondContact O-N 3.33Å; S836-L840 PolarHBondContact O-N 3.18Å
837	Y	89.3	Confident	85.6	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-73	-27.7	176.3	-80	-65.3	0	0	0	112.8	L800 L822 L833 L834 S835 C839 L840 L841 A852 A855 F859	L800-Y837 HydrophobicContact CB-CE1 4.43Å; L800-Y837 HydrophobicContact CD2-CE2 4.12Å; L800-Y837 PolarHBondContact O-OH 3Å; L822-Y837 HydrophobicContact CD1-CE2 4.41Å; L822-Y837 HydrophobicContact CD2-CE2 3.93Å; L833-Y837 HydrophobicContact CD2-CE2 4.29Å; L833-Y837 VanDerWaalsContact O-CD2 3.27Å; L833-Y837 WeakPolarHBondContact O-CD2 3.41Å; L833-Y837 PolarHBondContact O-N 3.45Å; L834-Y837 PolarHBondContact O-N 2.93Å; S835-Y837 PolarHBondContact O-N 3.07Å; Y837-C839 VanDerWaalsContact C-N 3.35Å; Y837-L840 HydrophobicContact CD1-CD1 3.68Å; Y837-L840 HydrophobicContact CE1-CD1 3.86Å; Y837-L840 PolarHBondContact O-N 3.19Å; Y837-L841 PolarHBondContact O-N 3.09Å; Y837-A852 HydrophobicContact CD1-CB 3.9Å; Y837-A852 WeakPolarHBondContact O-CB 3.4Å; Y837-A855 HydrophobicContact CD1-CB 3.68Å; Y837-A855 HydrophobicContact CD2-CB 3.67Å; Y837-A855 HydrophobicContact CE1-CB 3.71Å; Y837-A855 HydrophobicContact CE2-CB 3.69Å; Y837-A855 HydrophobicContact CG-CB 3.66Å; Y837-F859 AromaticContact CD2-CE2 3.83Å; Y837-F859 HydrophobicContact CD2-CE2 3.83Å; Y837-F859 AromaticContact CD2-CZ 4Å; Y837-F859 HydrophobicContact CD2-CZ 4Å; Y837-F859 HydrophobicContact CE2-CZ 4.28Å
838	L	85.2	Confident	86.1	Confident	6 Å²	6	34.4 Å²	34.4	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-62.7	-40.5	168	-74.9	170.9	0	0	0	111.9	M347 L834 S835 L840 L841 L856 I864 Q867	M347-L838 HydrophobicContact CE-CD1 3.51Å; M347-L838 HydrophobicContact SD-CB 4.24Å; M347-L838 HydrophobicContact SD-CD1 3.77Å; L834-L838 HydrophobicContact CD2-CD1 3.75Å; L834-L838 HydrophobicContact CD2-CG 4.47Å; L834-L838 WeakPolarHBondContact O-CG 3.44Å; L834-L838 PolarHBondContact O-N 3Å; S835-L838 WeakPolarHBondContact O-CB 3.33Å; S835-L838 PolarHBondContact O-N 3.24Å; L838-L840 VanDerWaalsContact C-N 3.29Å; L838-L840 PolarHBondContact O-N 2.62Å; L838-L841 HydrophobicContact CD2-CD1 3.78Å; L838-L841 VanDerWaalsContact O-CB 3.28Å; L838-L841 WeakPolarHBondContact O-CB 3.5Å; L838-L841 PolarHBondContact O-N 3.08Å; L838-L841 VanDerWaalsContact O-N 3.11Å; L838-L856 HydrophobicContact CD2-CD1 3.97Å; L838-L856 HydrophobicContact CD2-CD2 4.43Å; L838-L856 HydrophobicContact CG-CD1 4.44Å; L838-L856 HydrophobicContact CG-CD2 4.22Å; L838-I864 HydrophobicContact CD1-CG2 3.87Å; L838-I864 HydrophobicContact CD2-CB 4.15Å; L838-I864 HydrophobicContact CD2-CG2 4.15Å; L838-I864 HydrophobicContact CG-CG2 4.41Å; L838-Q867 HydrophobicContact CD2-CB 3.98Å; L838-Q867 HydrophobicContact CD2-CG 4.19Å
839	C	85.3	Confident	87.1	Confident	5 Å²	5	27.7 Å²	27.7	3%	0.034	15%	0.153	C	C	.	.	H	α-helix	trans	-62.6	-36.4	174.3	-56.5	0	0	0	0	112.4	Y633 S835 S836 Y837 L841 E842	Y633-C839 HydrophobicContact CD1-CB 4.1Å; Y633-C839 HydrophobicContact CD2-CB 3.63Å; Y633-C839 WeakPolarHBondContact CD2-SG 3.32Å; Y633-C839 HydrophobicContact CE2-CB 4.16Å; Y633-C839 HydrophobicContact CG-CB 3.59Å; S835-C839 PolarHBondContact O-N 3.05Å; S835-C839 VanDerWaalsContact O-N 3.15Å; S835-C839 PolarHBondContact O-SG 3.06Å; S836-C839 WeakPolarHBondContact O-CB 3.48Å; S836-C839 PolarHBondContact O-N 3.33Å; Y837-C839 VanDerWaalsContact C-N 3.35Å; C839-L841 PolarHBondContact O-N 3.33Å; C839-E842 PolarHBondContact O-N 3.39Å
840	L	88.8	Confident	88	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.021	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-69.9	-10.1	176	-67.9	173.4	0	0	0	114	L797 L800 K801 S836 Y837 L838 E842 D843 R849 A852	L797-L840 HydrophobicContact CD1-CD1 4.16Å; L797-L840 HydrophobicContact CD1-CD2 4.03Å; L797-L840 HydrophobicContact CD1-CG 3.82Å; L797-L840 HydrophobicContact CG-CD2 4.05Å; L797-L840 HydrophobicContact CG-CG 4.4Å; L800-L840 HydrophobicContact CB-CD1 4.11Å; K801-L840 HydrophobicContact CB-CD1 4.2Å; K801-L840 HydrophobicContact CB-CD2 3.8Å; K801-L840 HydrophobicContact CD-CD2 4.25Å; K801-L840 HydrophobicContact CG-CD2 4.27Å; S836-L840 PolarHBondContact O-N 3.18Å; Y837-L840 HydrophobicContact CD1-CD1 3.68Å; Y837-L840 HydrophobicContact CE1-CD1 3.86Å; Y837-L840 PolarHBondContact O-N 3.19Å; L838-L840 VanDerWaalsContact C-N 3.29Å; L838-L840 PolarHBondContact O-N 2.62Å; L840-E842 PolarHBondContact O-N 3.41Å; L840-D843 PolarHBondContact O-N 2.97Å; L840-R849 WeakPolarHBondContact O-CG 3.21Å; L840-A852 HydrophobicContact CB-CB 3.73Å
841	L	91.3	Very high	88.5	Confident	5 Å²	5	25.4 Å²	25.4	3%	0.026	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-70.5	-13.1	166.5	-59.4	177.1	0	0	0	112.8	L631 Y837 L838 C839 R849 A852 L853 L856 I868 V871	L631-L841 HydrophobicContact CD1-CB 4.29Å; L631-L841 HydrophobicContact CD2-CB 4.4Å; L631-L841 HydrophobicContact CD2-CD1 4.2Å; Y837-L841 PolarHBondContact O-N 3.09Å; L838-L841 HydrophobicContact CD2-CD1 3.78Å; L838-L841 VanDerWaalsContact O-CB 3.28Å; L838-L841 WeakPolarHBondContact O-CB 3.5Å; L838-L841 PolarHBondContact O-N 3.08Å; L838-L841 VanDerWaalsContact O-N 3.11Å; C839-L841 PolarHBondContact O-N 3.33Å; L841-R849 WeakPolarHBondContact O-CD 3.26Å; L841-A852 HydrophobicContact CD2-CB 3.94Å; L841-L853 HydrophobicContact CD2-CD2 3.59Å; L841-L853 HydrophobicContact CD2-CG 3.71Å; L841-L856 HydrophobicContact CD1-CD1 3.74Å; L841-L856 HydrophobicContact CD2-CD1 4.07Å; L841-L856 HydrophobicContact CG-CD1 4.03Å; L841-I868 HydrophobicContact CD1-CD1 4.23Å; L841-V871 HydrophobicContact CB-CG2 4.26Å; L841-V871 HydrophobicContact CD1-CG2 4.16Å
842	E	86.5	Confident	89.4	Confident	21 Å²	21	23 Å²	23	10%	0.098	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-100.7	1.1	176	-62.4	-169.5	66.9	0	0	113	L631 V632 Y633 K634 C839 L840	L631-E842 HydrophobicContact CB-CG 3.75Å; L631-E842 WeakPolarHBondContact CB-OE2 3.46Å; L631-E842 HydrophobicContact CD1-CG 3.83Å; L631-E842 HydrophobicContact CG-CG 4.34Å; V632-E842 PolarHBondContact N-OE2 2.87Å; Y633-E842 WeakPolarHBondContact CA-OE2 3.43Å; Y633-E842 VanDerWaalsContact CB-OE2 3.25Å; Y633-E842 WeakPolarHBondContact CB-OE2 3.46Å; Y633-E842 PolarHBondContact N-OE2 3.36Å; K634-E842 WeakPolarHBondContact CB-OE1 3.4Å; K634-E842 HydrophobicContact CD-CB 4Å; K634-E842 WeakPolarHBondContact CE-O 3.32Å; K634-E842 HydrophobicContact CG-CB 4Å; K634-E842 VanDerWaalsContact CG-OE1 3.24Å; K634-E842 WeakPolarHBondContact CG-OE1 3.28Å; K634-E842 PolarHBondContact N-OE1 2.96Å; K634-E842 PolarHBondContact N-OE2 3.3Å; K634-E842 PolarHBondContact NZ-O 3.03Å; C839-E842 PolarHBondContact O-N 3.39Å; L840-E842 PolarHBondContact O-N 3.41Å
843	D	89.8	Confident	90.3	Very high	31 Å²	31	19.8 Å²	19.8	17%	0.166	11%	0.107	C	C	.	.			trans	-66.4	143.8	-177.8	-165.9	-89	0	0	0	112.7	K801 L840 N845 A848 R849	K801-D843 WeakPolarHBondContact CE-OD1 3.35Å; K801-D843 WeakPolarHBondContact CE-OD2 3.25Å; K801-D843 IonicContact NZ-OD1 3.58Å; K801-D843 PolarHBondContact NZ-OD1 3.28Å; K801-D843 IonicContact NZ-OD2 2.98Å; K801-D843 PolarHBondContact NZ-OD2 2.83Å; L840-D843 PolarHBondContact O-N 2.97Å; D843-N845 PolarHBondContact O-N 2.83Å; D843-N845 WeakPolarHBondContact OD1-CB 3.27Å; D843-N845 PolarHBondContact OD1-N 3.5Å; D843-A848 HydrophobicContact CB-CB 4.11Å; D843-R849 HydrophobicContact CB-CG 4.43Å; D843-R849 VanDerWaalsContact O-CD 3.23Å; D843-R849 WeakPolarHBondContact O-CD 3.14Å; D843-R849 WeakPolarHBondContact O-CG 3.13Å; D843-R849 PolarHBondContact O-NH1 3.36Å
844	D	88.8	Confident	90.8	Very high	109 Å²	109	22.5 Å²	22.5	58%	0.583	12%	0.119	S	C	*	.	S	Bend	trans	-60.7	-28.7	178.7	-68.7	-7.6	0	0	0	112.1	K634 K737 R849	K634-D844 IonicContact NZ-OD1 3.31Å; K737-D844 IonicContact NZ-OD2 3.32Å; D844-R849 PolarHBondContact O-NH1 2.61Å; D844-R849 VanDerWaalsContact O-NH1 3.15Å
845	N	92.9	Very high	91.4	Very high	66 Å²	66	22.4 Å²	22.4	35%	0.353	12%	0.119	S	C	.	.			trans	-84.3	119.4	-177.5	-175.1	-7.2	0	0	0	112.9	D843 D847 A848 R849	D843-N845 PolarHBondContact O-N 2.83Å; D843-N845 WeakPolarHBondContact OD1-CB 3.27Å; D843-N845 PolarHBondContact OD1-N 3.5Å; N845-D847 VanDerWaalsContact C-N 3.33Å; N845-D847 PolarHBondContact O-N 2.73Å; N845-D847 PolarHBondContact OD1-N 3.46Å; N845-A848 HydrophobicContact CB-CB 4Å; N845-A848 WeakPolarHBondContact O-CB 3.41Å; N845-A848 PolarHBondContact O-N 3.43Å; N845-R849 PolarHBondContact O-N 3.48Å; N845-R849 VanDerWaalsContact O-N 3.1Å
846	T	96.3	Very high	92.2	Very high	56 Å²	56	22.1 Å²	22.1	34%	0.344	12%	0.117	S	C	.	.	H	α-helix	trans	-54.6	-40.4	175.3	-56.4	0	0	0	0	113.9	A848 R849 L850 S877 V880	T846-A848 VanDerWaalsContact C-N 3.28Å; T846-A848 PolarHBondContact O-N 3.18Å; T846-R849 PolarHBondContact O-N 3.07Å; T846-L850 WeakPolarHBondContact O-CB 3.49Å; T846-L850 PolarHBondContact O-N 3.49Å; T846-S877 WeakPolarHBondContact CG2-OG 3.29Å; T846-V880 HydrophobicContact CG2-CG2 3.86Å
847	D	95.3	Very high	92.6	Very high	47 Å²	47	23.6 Å²	23.6	25%	0.251	13%	0.129	S	C	.	.	H	α-helix	trans	-65.4	-34	177.1	-77	-16.9	0	0	0	111.3	V805 A808 R809 N845 G851	V805-D847 HydrophobicContact CB-CB 4.48Å; V805-D847 HydrophobicContact CG1-CB 4.18Å; V805-D847 HydrophobicContact CG2-CB 3.95Å; A808-D847 HydrophobicContact CB-CB 4.38Å; A808-D847 VanDerWaalsContact CB-O 3.24Å; A808-D847 WeakPolarHBondContact CB-O 3.34Å; R809-D847 VanDerWaalsContact CD-OD2 3.29Å; R809-D847 WeakPolarHBondContact CD-OD2 3.41Å; R809-D847 IonicContact CZ-OD2 3.51Å; R809-D847 IonicContact NE-OD2 2.74Å; R809-D847 IonicContact NH1-OD2 3.44Å; R809-D847 PolarHBondContact NH1-OD2 3.36Å; N845-D847 VanDerWaalsContact C-N 3.33Å; N845-D847 PolarHBondContact O-N 2.73Å; N845-D847 PolarHBondContact OD1-N 3.46Å; D847-G851 PolarHBondContact O-N 3.43Å
848	A	95	Very high	92.8	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-69.4	-45.9	177.9	0	0	0	0	0	110.9	K801 V805 D843 N845 T846 G851 A852	K801-A848 HydrophobicContact CD-CB 4.42Å; K801-A848 HydrophobicContact CG-CB 3.82Å; V805-A848 HydrophobicContact CG2-CB 4.34Å; D843-A848 HydrophobicContact CB-CB 4.11Å; N845-A848 HydrophobicContact CB-CB 4Å; N845-A848 WeakPolarHBondContact O-CB 3.41Å; N845-A848 PolarHBondContact O-N 3.43Å; T846-A848 VanDerWaalsContact C-N 3.28Å; T846-A848 PolarHBondContact O-N 3.18Å; A848-G851 PolarHBondContact O-N 3.49Å; A848-A852 WeakPolarHBondContact O-CB 3.43Å; A848-A852 PolarHBondContact O-N 3.13Å
849	R	96.4	Very high	93.1	Very high	20 Å²	20	26 Å²	26	8%	0.075	14%	0.14	C	C	.	.	H	α-helix	trans	-63.3	-45.4	176.6	-60.3	-161.2	-58.9	-75.7	1.4	112.3	L840 L841 D843 D844 N845 T846 G851 A852 L853 D875 V880	L840-R849 WeakPolarHBondContact O-CG 3.21Å; L841-R849 WeakPolarHBondContact O-CD 3.26Å; D843-R849 HydrophobicContact CB-CG 4.43Å; D843-R849 VanDerWaalsContact O-CD 3.23Å; D843-R849 WeakPolarHBondContact O-CD 3.14Å; D843-R849 WeakPolarHBondContact O-CG 3.13Å; D843-R849 PolarHBondContact O-NH1 3.36Å; D844-R849 PolarHBondContact O-NH1 2.61Å; D844-R849 VanDerWaalsContact O-NH1 3.15Å; N845-R849 PolarHBondContact O-N 3.48Å; N845-R849 VanDerWaalsContact O-N 3.1Å; T846-R849 PolarHBondContact O-N 3.07Å; R849-G851 VanDerWaalsContact C-N 3.32Å; R849-G851 PolarHBondContact O-N 3.42Å; R849-A852 WeakPolarHBondContact O-CB 3.41Å; R849-A852 PolarHBondContact O-N 3.16Å; R849-L853 PolarHBondContact O-N 2.71Å; R849-D875 WeakPolarHBondContact CD-OD2 3.38Å; R849-D875 IonicContact CZ-OD1 3.57Å; R849-D875 IonicContact CZ-OD2 3.25Å; R849-D875 IonicContact NE-OD1 2.61Å; R849-D875 PolarHBondContact NE-OD1 3.45Å; R849-D875 IonicContact NE-OD2 3.67Å; R849-D875 PolarHBondContact NE-OD2 3.4Å; R849-D875 IonicContact NH2-OD1 3.61Å; R849-D875 PolarHBondContact NH2-OD1 3.18Å; R849-D875 IonicContact NH2-OD2 3.51Å; R849-V880 HydrophobicContact CB-CG1 4.35Å; R849-V880 HydrophobicContact CB-CG2 4.41Å
850	L	96.8	Very high	93.1	Very high	28 Å²	28	30.7 Å²	30.7	15%	0.147	17%	0.165	C	C	.	.	H	α-helix	trans	-63.3	-39.8	175.1	-177.2	60.3	0	0	0	111.8	A808 T846 A852 L853 K854 V880 F883	A808-L850 HydrophobicContact CB-CB 4.37Å; A808-L850 HydrophobicContact CB-CD2 4.42Å; A808-L850 HydrophobicContact CB-CG 4.38Å; T846-L850 WeakPolarHBondContact O-CB 3.49Å; T846-L850 PolarHBondContact O-N 3.49Å; L850-A852 VanDerWaalsContact C-N 3.35Å; L850-L853 PolarHBondContact O-N 2.66Å; L850-K854 WeakPolarHBondContact O-CG 3.33Å; L850-K854 PolarHBondContact O-N 3.05Å; L850-V880 HydrophobicContact CB-CG2 4.16Å; L850-F883 HydrophobicContact CD1-CB 3.72Å; L850-F883 HydrophobicContact CD1-CD1 4.39Å; L850-F883 HydrophobicContact CD1-CD2 4.3Å; L850-F883 HydrophobicContact CD1-CG 3.87Å
851	G	96.2	Very high	92.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-39.7	174.1	0	0	0	0	0	113.4	G804 D847 A848 R849 K854 A855	G804-G851 WeakPolarHBondContact O-CA 3.33Å; D847-G851 PolarHBondContact O-N 3.43Å; A848-G851 PolarHBondContact O-N 3.49Å; R849-G851 VanDerWaalsContact C-N 3.32Å; R849-G851 PolarHBondContact O-N 3.42Å; G851-K854 PolarHBondContact O-N 3.42Å; G851-A855 PolarHBondContact O-N 2.76Å
852	A	95.9	Very high	92.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67	-44.7	175.2	0	0	0	0	0	112.1	Y837 L840 L841 A848 R849 L850 K854 A855 L856	Y837-A852 HydrophobicContact CD1-CB 3.9Å; Y837-A852 WeakPolarHBondContact O-CB 3.4Å; L840-A852 HydrophobicContact CB-CB 3.73Å; L841-A852 HydrophobicContact CD2-CB 3.94Å; A848-A852 WeakPolarHBondContact O-CB 3.43Å; A848-A852 PolarHBondContact O-N 3.13Å; R849-A852 WeakPolarHBondContact O-CB 3.41Å; R849-A852 PolarHBondContact O-N 3.16Å; L850-A852 VanDerWaalsContact C-N 3.35Å; A852-K854 VanDerWaalsContact C-N 3.3Å; A852-K854 PolarHBondContact O-N 3.22Å; A852-A855 WeakPolarHBondContact O-CB 3.31Å; A852-A855 PolarHBondContact O-N 3.21Å; A852-A855 VanDerWaalsContact O-N 3.13Å; A852-L856 WeakPolarHBondContact O-CB 3.46Å; A852-L856 VanDerWaalsContact O-CG 3.25Å; A852-L856 WeakPolarHBondContact O-CG 3.31Å; A852-L856 PolarHBondContact O-N 3.48Å
853	L	96.6	Very high	92.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.5	-43	171.7	-72.2	177.5	0	0	0	112.1	L841 R849 L850 A855 L856 A857 I868 V871 V880 F883 A884	L841-L853 HydrophobicContact CD2-CD2 3.59Å; L841-L853 HydrophobicContact CD2-CG 3.71Å; R849-L853 PolarHBondContact O-N 2.71Å; L850-L853 PolarHBondContact O-N 2.66Å; L853-A855 VanDerWaalsContact C-N 3.35Å; L853-A855 PolarHBondContact O-N 2.86Å; L853-L856 PolarHBondContact O-N 3.08Å; L853-A857 WeakPolarHBondContact O-CB 3.39Å; L853-A857 PolarHBondContact O-N 3.46Å; L853-I868 HydrophobicContact CD2-CD1 3.58Å; L853-I868 HydrophobicContact CD2-CG2 4.48Å; L853-V871 HydrophobicContact CD1-CG1 4.16Å; L853-V871 HydrophobicContact CD2-CG1 4.27Å; L853-V880 HydrophobicContact CD1-CG1 3.55Å; L853-V880 WeakPolarHBondContact CD1-O 3.35Å; L853-F883 HydrophobicContact CB-CD1 3.66Å; L853-F883 HydrophobicContact CB-CE1 3.91Å; L853-F883 HydrophobicContact CD1-CB 4.47Å; L853-F883 HydrophobicContact CD1-CD1 4.09Å; L853-A884 HydrophobicContact CD1-CB 3.9Å; L853-A884 HydrophobicContact CD2-CB 4.27Å
854	K	95.5	Very high	92.1	Very high	57 Å²	57	40.9 Å²	40.9	25%	0.248	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-40.1	175.1	-75.3	175.8	172.6	-172.4	0	112.3	L807 A808 L850 G851 A852 I858 F883	L807-K854 HydrophobicContact CB-CB 4.2Å; L807-K854 HydrophobicContact CB-CD 4.26Å; L807-K854 WeakPolarHBondContact O-CD 3.31Å; L807-K854 PolarHBondContact O-NZ 3.39Å; A808-K854 PolarHBondContact O-NZ 3.44Å; L850-K854 WeakPolarHBondContact O-CG 3.33Å; L850-K854 PolarHBondContact O-N 3.05Å; G851-K854 PolarHBondContact O-N 3.42Å; A852-K854 VanDerWaalsContact C-N 3.3Å; A852-K854 PolarHBondContact O-N 3.22Å; K854-I858 WeakPolarHBondContact O-CD1 3.38Å; K854-I858 WeakPolarHBondContact O-CG1 3.3Å; K854-I858 PolarHBondContact O-N 3.45Å; K854-F883 HydrophobicContact CB-CZ 4.41Å; K854-F883 HydrophobicContact CG-CE1 3.99Å; K854-F883 HydrophobicContact CG-CE2 3.93Å; K854-F883 HydrophobicContact CG-CZ 3.56Å
855	A	95.8	Very high	92.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-45.4	174.2	0	0	0	0	0	112.1	L807 L822 Y837 G851 A852 L853 A857 I858 F859	L807-A855 HydrophobicContact CD1-CB 4.07Å; L822-A855 HydrophobicContact CD1-CB 3.71Å; Y837-A855 HydrophobicContact CD1-CB 3.68Å; Y837-A855 HydrophobicContact CD2-CB 3.67Å; Y837-A855 HydrophobicContact CE1-CB 3.71Å; Y837-A855 HydrophobicContact CE2-CB 3.69Å; Y837-A855 HydrophobicContact CG-CB 3.66Å; G851-A855 PolarHBondContact O-N 2.76Å; A852-A855 WeakPolarHBondContact O-CB 3.31Å; A852-A855 PolarHBondContact O-N 3.21Å; A852-A855 VanDerWaalsContact O-N 3.13Å; L853-A855 VanDerWaalsContact C-N 3.35Å; L853-A855 PolarHBondContact O-N 2.86Å; A855-A857 VanDerWaalsContact C-N 3.33Å; A855-A857 PolarHBondContact O-N 3.38Å; A855-I858 WeakPolarHBondContact O-CB 3.35Å; A855-I858 PolarHBondContact O-N 3.24Å; A855-I858 VanDerWaalsContact O-N 3.08Å; A855-F859 WeakPolarHBondContact O-CD2 3.26Å; A855-F859 PolarHBondContact O-N 3.23Å
856	L	94.3	Very high	92	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.4	-35.5	178.5	-67.3	168.5	0	0	0	112.4	L834 L838 L841 A852 L853 I858 F859 D860 I864 I868 M887	L834-L856 HydrophobicContact CG-CD2 4.08Å; L838-L856 HydrophobicContact CD2-CD1 3.97Å; L838-L856 HydrophobicContact CD2-CD2 4.43Å; L838-L856 HydrophobicContact CG-CD1 4.44Å; L838-L856 HydrophobicContact CG-CD2 4.22Å; L841-L856 HydrophobicContact CD1-CD1 3.74Å; L841-L856 HydrophobicContact CD2-CD1 4.07Å; L841-L856 HydrophobicContact CG-CD1 4.03Å; A852-L856 WeakPolarHBondContact O-CB 3.46Å; A852-L856 VanDerWaalsContact O-CG 3.25Å; A852-L856 WeakPolarHBondContact O-CG 3.31Å; A852-L856 PolarHBondContact O-N 3.48Å; L853-L856 PolarHBondContact O-N 3.08Å; L856-I858 PolarHBondContact O-N 2.92Å; L856-F859 HydrophobicContact CD2-CD2 4.15Å; L856-F859 HydrophobicContact CD2-CE2 4.44Å; L856-F859 PolarHBondContact O-N 2.87Å; L856-D860 PolarHBondContact O-N 3.45Å; L856-I864 HydrophobicContact CB-CD1 3.81Å; L856-I864 HydrophobicContact CD1-CD1 4.32Å; L856-I864 HydrophobicContact CD2-CD1 3.93Å; L856-I864 HydrophobicContact CG-CD1 4.22Å; L856-I868 HydrophobicContact CD1-CD1 4.06Å; L856-M887 HydrophobicContact CB-CE 4.06Å
857	A	93.4	Very high	91.8	Very high	39 Å²	39	38.2 Å²	38.2	32%	0.322	20%	0.195	S	C	.	.	H	α-helix	trans	-65.3	-22.5	173	0	0	0	0	0	113.7	L853 A855 F883 M887	L853-A857 WeakPolarHBondContact O-CB 3.39Å; L853-A857 PolarHBondContact O-N 3.46Å; A855-A857 VanDerWaalsContact C-N 3.33Å; A855-A857 PolarHBondContact O-N 3.38Å; A857-F883 HydrophobicContact CB-CE1 4.37Å; A857-F883 HydrophobicContact CB-CZ 4.49Å; A857-M887 HydrophobicContact CB-CE 4.16Å; A857-M887 HydrophobicContact CB-CG 4.32Å; A857-M887 HydrophobicContact CB-SD 3.92Å
858	I	93.6	Very high	91.8	Very high	34 Å²	34	36 Å²	36	17%	0.174	18%	0.183	C	C	.	.	H	α-helix	trans	-79.2	-28.7	174.8	-63.8	158.4	0	0	0	111.4	L807 E819 L822 R823 K854 A855 L856	L807-I858 HydrophobicContact CD1-CD1 4.4Å; E819-I858 HydrophobicContact CB-CD1 4.15Å; E819-I858 HydrophobicContact CG-CD1 3.71Å; L822-I858 HydrophobicContact CB-CD1 4.47Å; L822-I858 HydrophobicContact CB-CG2 4.11Å; L822-I858 HydrophobicContact CD1-CD1 3.96Å; R823-I858 HydrophobicContact CB-CG2 4.44Å; R823-I858 HydrophobicContact CG-CG2 3.41Å; R823-I858 VanDerWaalsContact CG-CG2 3.41Å; K854-I858 WeakPolarHBondContact O-CD1 3.38Å; K854-I858 WeakPolarHBondContact O-CG1 3.3Å; K854-I858 PolarHBondContact O-N 3.45Å; A855-I858 WeakPolarHBondContact O-CB 3.35Å; A855-I858 PolarHBondContact O-N 3.24Å; A855-I858 VanDerWaalsContact O-N 3.08Å; L856-I858 PolarHBondContact O-N 2.92Å
859	F	90.6	Very high	91.7	Very high	22 Å²	22	38.3 Å²	38.3	10%	0.096	20%	0.199	C	C	.	.	H	α-helix	trans	-80.9	-14.9	179.3	-55.1	-38.6	0	0	0	113.9	L822 L830 L833 L834 Y837 A855 L856 N861	L822-F859 HydrophobicContact CB-CE1 3.92Å; L822-F859 HydrophobicContact CB-CZ 4.47Å; L822-F859 HydrophobicContact CD2-CE1 4.23Å; L822-F859 HydrophobicContact CD2-CZ 4.03Å; L830-F859 HydrophobicContact CD1-CB 4.1Å; L830-F859 HydrophobicContact CD1-CD1 3.37Å; L830-F859 HydrophobicContact CD1-CE1 3.86Å; L830-F859 HydrophobicContact CD1-CG 3.77Å; L833-F859 HydrophobicContact CB-CE2 4.28Å; L833-F859 HydrophobicContact CB-CZ 3.81Å; L834-F859 HydrophobicContact CB-CD2 4.09Å; L834-F859 HydrophobicContact CB-CE2 4.37Å; L834-F859 HydrophobicContact CD1-CB 4.46Å; L834-F859 HydrophobicContact CD1-CD2 4.49Å; L834-F859 HydrophobicContact CG-CD2 4.47Å; Y837-F859 AromaticContact CD2-CE2 3.83Å; Y837-F859 HydrophobicContact CD2-CE2 3.83Å; Y837-F859 AromaticContact CD2-CZ 4Å; Y837-F859 HydrophobicContact CD2-CZ 4Å; Y837-F859 HydrophobicContact CE2-CZ 4.28Å; A855-F859 WeakPolarHBondContact O-CD2 3.26Å; A855-F859 PolarHBondContact O-N 3.23Å; L856-F859 HydrophobicContact CD2-CD2 4.15Å; L856-F859 HydrophobicContact CD2-CE2 4.44Å; L856-F859 PolarHBondContact O-N 2.87Å; F859-N861 VanDerWaalsContact C-N 3.29Å; F859-N861 PolarHBondContact O-N 3.37Å; F859-N861 VanDerWaalsContact O-N 3.16Å
860	D	85.6	Confident	91.6	Very high	105 Å²	105	39.2 Å²	39.2	56%	0.561	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	48	45.9	171.6	-163.1	31.1	0	0	0	114	L856 F891	L856-D860 PolarHBondContact O-N 3.45Å; D860-F891 VanDerWaalsContact OD1-CE1 3.32Å; D860-F891 WeakPolarHBondContact OD1-CE1 3.22Å
861	N	84.8	Confident	91.5	Very high	39 Å²	39	38.1 Å²	38.1	21%	0.209	20%	0.197	C	C	.	.			trans	-104.9	114.1	-172.2	-169.1	-37.2	0	0	0	111.4	L834 F859 R863 I864	L834-N861 HydrophobicContact CD1-CB 3.57Å; L834-N861 WeakPolarHBondContact CD1-ND2 3.38Å; F859-N861 VanDerWaalsContact C-N 3.29Å; F859-N861 PolarHBondContact O-N 3.37Å; F859-N861 VanDerWaalsContact O-N 3.16Å; N861-R863 PolarHBondContact O-N 3.35Å; N861-R863 VanDerWaalsContact O-N 3.13Å; N861-R863 VanDerWaalsContact OD1-CB 3.3Å; N861-R863 WeakPolarHBondContact OD1-CB 3.39Å; N861-R863 WeakPolarHBondContact OD1-CG 3.38Å; N861-R863 PolarHBondContact OD1-N 3.05Å; N861-I864 WeakPolarHBondContact O-CG1 3.31Å
862	P	80.7	Confident	91.4	Very high	92 Å²	92	38.5 Å²	38.5	60%	0.597	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-71.7	-7.8	-175.9	28.9	-36.1	0	0	0	114.5	I864 T865	P862-I864 VanDerWaalsContact C-N 3.27Å; P862-I864 PolarHBondContact O-N 3.14Å; P862-T865 PolarHBondContact O-OG1 3.19Å
863	R	83.7	Confident	91.3	Very high	141 Å²	141	43.7 Å²	43.7	53%	0.532	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-71.8	-18.2	-179.9	-63.9	-175.7	177.7	-164.9	-2.7	113.8	D345 N861	D345-R863 IonicContact OD1-CZ 3.86Å; D345-R863 IonicContact OD1-NH1 3.84Å; D345-R863 PolarHBondContact OD1-NH1 3.27Å; N861-R863 PolarHBondContact O-N 3.35Å; N861-R863 VanDerWaalsContact O-N 3.13Å; N861-R863 VanDerWaalsContact OD1-CB 3.3Å; N861-R863 WeakPolarHBondContact OD1-CB 3.39Å; N861-R863 WeakPolarHBondContact OD1-CG 3.38Å; N861-R863 PolarHBondContact OD1-N 3.05Å
864	I	86.9	Confident	91.1	Very high	2 Å²	2	48 Å²	48	1%	0.01	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-93.3	2.4	-177	71.1	-177.1	0	0	0	113.7	L834 L838 L856 N861 P862 K866 Q867 I868 M887	L834-I864 HydrophobicContact CD1-CG2 4.24Å; L834-I864 HydrophobicContact CD2-CG2 3.8Å; L834-I864 HydrophobicContact CG-CG2 4.27Å; L838-I864 HydrophobicContact CD1-CG2 3.87Å; L838-I864 HydrophobicContact CD2-CB 4.15Å; L838-I864 HydrophobicContact CD2-CG2 4.15Å; L838-I864 HydrophobicContact CG-CG2 4.41Å; L856-I864 HydrophobicContact CB-CD1 3.81Å; L856-I864 HydrophobicContact CD1-CD1 4.32Å; L856-I864 HydrophobicContact CD2-CD1 3.93Å; L856-I864 HydrophobicContact CG-CD1 4.22Å; N861-I864 WeakPolarHBondContact O-CG1 3.31Å; P862-I864 VanDerWaalsContact C-N 3.27Å; P862-I864 PolarHBondContact O-N 3.14Å; I864-K866 PolarHBondContact O-N 3.44Å; I864-K866 VanDerWaalsContact O-N 3.15Å; I864-Q867 WeakPolarHBondContact O-CA 3.35Å; I864-Q867 WeakPolarHBondContact O-CB 3.45Å; I864-Q867 PolarHBondContact O-N 3.32Å; I864-Q867 PolarHBondContact O-OE1 3.19Å; I864-I868 HydrophobicContact CD1-CD1 4.09Å; I864-I868 HydrophobicContact CD1-CG1 4.06Å; I864-I868 HydrophobicContact CG1-CD1 4.35Å; I864-I868 HydrophobicContact CG1-CG1 3.81Å; I864-I868 WeakPolarHBondContact O-CG1 3.28Å; I864-I868 PolarHBondContact O-N 2.76Å; I864-M887 HydrophobicContact CD1-CE 4.08Å
865	T	89	Confident	91.1	Very high	53 Å²	53	46.2 Å²	46.2	33%	0.325	24%	0.241	S	C	.	.	H	α-helix	trans	-56.1	-34.6	-173.5	-58	0	0	0	0	113.1	P862 I868 S869 L888	P862-T865 PolarHBondContact O-OG1 3.19Å; T865-I868 PolarHBondContact O-N 2.83Å; T865-S869 WeakPolarHBondContact O-CB 3.3Å; T865-S869 PolarHBondContact O-N 3.41Å; T865-L888 HydrophobicContact CG2-CD2 3.75Å
866	K	89.7	Confident	91	Very high	118 Å²	118	52.7 Å²	52.7	51%	0.513	28%	0.28	S	S	.	.	H	α-helix	trans	-61	-45.5	174.7	-169	-173.9	-178.4	-171.4	0	111.2	D351 P630 I864 Y870	D351-K866 IonicContact OD1-NZ 3.94Å; P630-K866 HydrophobicContact CB-CD 3.84Å; P630-K866 HydrophobicContact CB-CG 3.86Å; P630-K866 HydrophobicContact CG-CG 4.27Å; I864-K866 PolarHBondContact O-N 3.44Å; I864-K866 VanDerWaalsContact O-N 3.15Å; K866-Y870 PolarHBondContact O-N 3.19Å; K866-Y870 VanDerWaalsContact O-N 3.13Å
867	Q	92.2	Very high	91.1	Very high	5 Å²	5	53.5 Å²	53.5	2%	0.023	29%	0.286	C	S	.	.	H	α-helix	trans	-66.2	-44.7	177.9	-69.3	77.3	7.7	0	0	112	M347 P630 L631 L838 I864 Y870 V871	M347-Q867 PolarHBondContact O-NE2 3.2Å; P630-Q867 HydrophobicContact CB-CG 4.31Å; P630-Q867 HydrophobicContact CG-CG 4.46Å; P630-Q867 PolarHBondContact O-NE2 3.17Å; L631-Q867 HydrophobicContact CD2-CB 3.79Å; L631-Q867 HydrophobicContact CD2-CG 3.74Å; L838-Q867 HydrophobicContact CD2-CB 3.98Å; L838-Q867 HydrophobicContact CD2-CG 4.19Å; I864-Q867 WeakPolarHBondContact O-CA 3.35Å; I864-Q867 WeakPolarHBondContact O-CB 3.45Å; I864-Q867 PolarHBondContact O-N 3.32Å; I864-Q867 PolarHBondContact O-OE1 3.19Å; Q867-Y870 PolarHBondContact O-N 2.64Å; Q867-V871 WeakPolarHBondContact O-CG2 3.45Å; Q867-V871 PolarHBondContact O-N 2.97Å
868	I	94.3	Very high	91.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.6	-37.7	179.6	-53.9	-63.1	0	0	0	111.4	L841 L853 L856 I864 T865 V871 A872 A884 M887 L888	L841-I868 HydrophobicContact CD1-CD1 4.23Å; L853-I868 HydrophobicContact CD2-CD1 3.58Å; L853-I868 HydrophobicContact CD2-CG2 4.48Å; L856-I868 HydrophobicContact CD1-CD1 4.06Å; I864-I868 HydrophobicContact CD1-CD1 4.09Å; I864-I868 HydrophobicContact CD1-CG1 4.06Å; I864-I868 HydrophobicContact CG1-CD1 4.35Å; I864-I868 HydrophobicContact CG1-CG1 3.81Å; I864-I868 WeakPolarHBondContact O-CG1 3.28Å; I864-I868 PolarHBondContact O-N 2.76Å; T865-I868 PolarHBondContact O-N 2.83Å; I868-V871 PolarHBondContact O-N 3.39Å; I868-A872 WeakPolarHBondContact O-CB 3.47Å; I868-A872 PolarHBondContact O-N 2.87Å; I868-A884 HydrophobicContact CG2-CB 3.96Å; I868-M887 HydrophobicContact CD1-CE 4.09Å; I868-M887 HydrophobicContact CD1-SD 4.15Å; I868-M887 HydrophobicContact CG1-CE 4.1Å; I868-M887 HydrophobicContact CG1-SD 4.36Å; I868-M887 HydrophobicContact CG2-CG 4.46Å; I868-M887 HydrophobicContact CG2-SD 4.08Å; I868-L888 HydrophobicContact CB-CD2 4.09Å; I868-L888 HydrophobicContact CB-CG 4.47Å; I868-L888 HydrophobicContact CG2-CD1 4.23Å; I868-L888 HydrophobicContact CG2-CD2 3.98Å; I868-L888 HydrophobicContact CG2-CG 3.84Å
869	S	93.5	Very high	91.1	Very high	49 Å²	49	58.2 Å²	58.2	34%	0.343	31%	0.306	S	S	.	.	H	α-helix	trans	-60	-47.6	172.7	-165.3	0	0	0	0	111.3	T865 V871 A872 D873	T865-S869 WeakPolarHBondContact O-CB 3.3Å; T865-S869 PolarHBondContact O-N 3.41Å; S869-V871 VanDerWaalsContact C-N 3.33Å; S869-V871 PolarHBondContact O-N 3.35Å; S869-A872 WeakPolarHBondContact O-CB 3.37Å; S869-A872 PolarHBondContact O-N 3.33Å; S869-A872 VanDerWaalsContact O-N 3.12Å; S869-D873 PolarHBondContact O-N 3.05Å; S869-D873 VanDerWaalsContact O-N 3.07Å
870	Y	93.9	Very high	91.4	Very high	40 Å²	40	57.2 Å²	57.2	16%	0.157	30%	0.302	C	S	.	.	H	α-helix	trans	-59.5	-43.4	177.8	-178.4	-95	0	0	0	112.2	C629 P630 L631 K866 Q867 D873 H874	C629-Y870 HydrophobicContact CB-CE1 4.38Å; C629-Y870 HydrophobicContact CB-CE2 4.21Å; C629-Y870 VanDerWaalsContact SG-CE1 3.52Å; P630-Y870 VanDerWaalsContact CD-CD2 3.46Å; P630-Y870 VanDerWaalsContact CG-CB 3.48Å; P630-Y870 HydrophobicContact CG-CD1 4.36Å; P630-Y870 HydrophobicContact CG-CD2 4.32Å; P630-Y870 HydrophobicContact CG-CG 3.82Å; L631-Y870 HydrophobicContact CD1-CD1 4.07Å; L631-Y870 HydrophobicContact CD1-CE1 4.34Å; L631-Y870 HydrophobicContact CG-CD1 4.27Å; K866-Y870 PolarHBondContact O-N 3.19Å; K866-Y870 VanDerWaalsContact O-N 3.13Å; Q867-Y870 PolarHBondContact O-N 2.64Å; Y870-D873 PolarHBondContact O-N 2.78Å; Y870-H874 AromaticContact CD2-CE1 3.71Å; Y870-H874 AromaticContact CD2-CG 3.97Å; Y870-H874 AromaticContact CD2-ND1 3.4Å; Y870-H874 WeakPolarHBondContact CD2-ND1 3.49Å; Y870-H874 HydrophobicContact CE1-CB 4.21Å; Y870-H874 HydrophobicContact CE2-CB 4.28Å; Y870-H874 AromaticContact CE2-CD2 3.97Å; Y870-H874 AromaticContact CE2-CE1 3.9Å; Y870-H874 AromaticContact CE2-CG 3.71Å; Y870-H874 AromaticContact CE2-ND1 3.62Å; Y870-H874 AromaticContact CG-ND1 3.88Å; Y870-H874 AromaticContact CZ-CG 4Å; Y870-H874 WeakPolarHBondContact O-CB 2.98Å; Y870-H874 PolarHBondContact O-N 3.33Å; Y870-H874 PolarHBondContact O-ND1 2.95Å
871	V	94.6	Very high	91.9	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.024	29%	0.287	C	S	.	.	H	α-helix	trans	-63.8	-39.3	174.5	173.4	0	0	0	0	112.1	L631 L841 L853 Q867 I868 S869 D873 D875 V880 A884	L631-V871 HydrophobicContact CD1-CG2 3.9Å; L841-V871 HydrophobicContact CB-CG2 4.26Å; L841-V871 HydrophobicContact CD1-CG2 4.16Å; L853-V871 HydrophobicContact CD1-CG1 4.16Å; L853-V871 HydrophobicContact CD2-CG1 4.27Å; Q867-V871 WeakPolarHBondContact O-CG2 3.45Å; Q867-V871 PolarHBondContact O-N 2.97Å; I868-V871 PolarHBondContact O-N 3.39Å; S869-V871 VanDerWaalsContact C-N 3.33Å; S869-V871 PolarHBondContact O-N 3.35Å; V871-D873 PolarHBondContact O-N 3.02Å; V871-D875 HydrophobicContact CG1-CB 4.13Å; V871-D875 VanDerWaalsContact O-CB 3.3Å; V871-D875 WeakPolarHBondContact O-CB 3.23Å; V871-D875 PolarHBondContact O-N 3.07Å; V871-D875 VanDerWaalsContact O-N 3.16Å; V871-V880 HydrophobicContact CG1-CG1 3.75Å; V871-A884 HydrophobicContact CG1-CB 4.22Å
872	A	95.1	Very high	92.4	Very high	8 Å²	8	61 Å²	61	7%	0.066	31%	0.305	C	S	.	.	H	α-helix	trans	-61.8	-33.1	177.2	0	0	0	0	0	112.9	I868 S869 R881 A884 L888	I868-A872 WeakPolarHBondContact O-CB 3.47Å; I868-A872 PolarHBondContact O-N 2.87Å; S869-A872 WeakPolarHBondContact O-CB 3.37Å; S869-A872 PolarHBondContact O-N 3.33Å; S869-A872 VanDerWaalsContact O-N 3.12Å; A872-R881 WeakPolarHBondContact O-CB 3.4Å; A872-R881 VanDerWaalsContact O-CD 3.31Å; A872-R881 WeakPolarHBondContact O-CD 3.41Å; A872-R881 WeakPolarHBondContact O-CG 3.39Å; A872-A884 HydrophobicContact CB-CB 3.7Å; A872-L888 HydrophobicContact CB-CD1 3.83Å
873	D	93.7	Very high	93.1	Very high	109 Å²	109	59.8 Å²	59.8	58%	0.583	29%	0.291	S	S	*	.	H	α-helix	trans	-91.6	-37.1	-177.6	-65.8	-36.3	0	0	0	113.1	S869 Y870 V871	S869-D873 PolarHBondContact O-N 3.05Å; S869-D873 VanDerWaalsContact O-N 3.07Å; Y870-D873 PolarHBondContact O-N 2.78Å; V871-D873 PolarHBondContact O-N 3.02Å
874	H	92.6	Very high	93.7	Very high	92 Å²	92	53 Å²	53	43%	0.426	27%	0.265	S	S	.	.	H	α-helix	trans	-115	-9.1	-165.3	-53.3	77.6	0	0	0	115.7	E626 Y870	E626-H874 IonicContact OE2-CD2 3.1Å; E626-H874 IonicContact OE2-NE2 2.65Å; Y870-H874 AromaticContact CD2-CE1 3.71Å; Y870-H874 AromaticContact CD2-CG 3.97Å; Y870-H874 AromaticContact CD2-ND1 3.4Å; Y870-H874 WeakPolarHBondContact CD2-ND1 3.49Å; Y870-H874 HydrophobicContact CE1-CB 4.21Å; Y870-H874 HydrophobicContact CE2-CB 4.28Å; Y870-H874 AromaticContact CE2-CD2 3.97Å; Y870-H874 AromaticContact CE2-CE1 3.9Å; Y870-H874 AromaticContact CE2-CG 3.71Å; Y870-H874 AromaticContact CE2-ND1 3.62Å; Y870-H874 AromaticContact CG-ND1 3.88Å; Y870-H874 AromaticContact CZ-CG 4Å; Y870-H874 WeakPolarHBondContact O-CB 2.98Å; Y870-H874 PolarHBondContact O-N 3.33Å; Y870-H874 PolarHBondContact O-ND1 2.95Å
875	D	94.9	Very high	94	Very high	18 Å²	18	56.7 Å²	56.7	10%	0.096	29%	0.288	C	S	.	.			trans	-64.6	139.7	-179.8	-163.3	-72.4	0	0	0	112.1	R849 V871 S877 V880 R881	R849-D875 WeakPolarHBondContact CD-OD2 3.38Å; R849-D875 IonicContact CZ-OD1 3.57Å; R849-D875 IonicContact CZ-OD2 3.25Å; R849-D875 IonicContact NE-OD1 2.61Å; R849-D875 PolarHBondContact NE-OD1 3.45Å; R849-D875 IonicContact NE-OD2 3.67Å; R849-D875 PolarHBondContact NE-OD2 3.4Å; R849-D875 IonicContact NH2-OD1 3.61Å; R849-D875 PolarHBondContact NH2-OD1 3.18Å; R849-D875 IonicContact NH2-OD2 3.51Å; V871-D875 HydrophobicContact CG1-CB 4.13Å; V871-D875 VanDerWaalsContact O-CB 3.3Å; V871-D875 WeakPolarHBondContact O-CB 3.23Å; V871-D875 PolarHBondContact O-N 3.07Å; V871-D875 VanDerWaalsContact O-N 3.16Å; D875-S877 PolarHBondContact O-N 3.26Å; D875-S877 WeakPolarHBondContact OD1-CB 3.08Å; D875-S877 PolarHBondContact OD1-N 2.7Å; D875-V880 HydrophobicContact CB-CB 4.29Å; D875-V880 HydrophobicContact CB-CG1 4.03Å; D875-V880 WeakPolarHBondContact OD2-CG1 3.45Å; D875-R881 HydrophobicContact CB-CG 3.82Å; D875-R881 WeakPolarHBondContact O-CD 3.15Å; D875-R881 WeakPolarHBondContact O-CG 3.11Å; D875-R881 PolarHBondContact O-NH1 3.45Å
876	V	93.7	Very high	94.2	Very high	136 Å²	136	57.2 Å²	57.2	82%	0.824	29%	0.293	S	S	*	.	S	Bend	trans	-60.8	-30	179	-174.2	0	0	0	0	112.4	R881	V876-R881 PolarHBondContact O-NH1 3.28Å
877	S	96.3	Very high	94.3	Very high	18 Å²	18	52.4 Å²	52.4	13%	0.126	27%	0.273	C	S	.	.			trans	-92.4	123.5	-177.1	177.5	0	0	0	0	113.3	T846 D875 D879 V880 R881	T846-S877 WeakPolarHBondContact CG2-OG 3.29Å; D875-S877 PolarHBondContact O-N 3.26Å; D875-S877 WeakPolarHBondContact OD1-CB 3.08Å; D875-S877 PolarHBondContact OD1-N 2.7Å; S877-D879 PolarHBondContact O-N 3.11Å; S877-D879 PolarHBondContact OG-N 2.85Å; S877-V880 PolarHBondContact O-N 2.75Å; S877-R881 VanDerWaalsContact C-NH1 3.34Å; S877-R881 WeakPolarHBondContact O-CG 3.45Å; S877-R881 PolarHBondContact O-N 3.18Å
878	D	94.9	Very high	94.1	Very high	77 Å²	77	53.4 Å²	53.4	41%	0.412	28%	0.278	S	S	.	.	H	α-helix	trans	-51.5	-39	171.3	-84.8	40.3	0	0	0	113.5	R881 R882	D878-R881 IonicContact OD1-CZ 2.75Å; D878-R881 IonicContact OD1-NH1 2.76Å; D878-R881 PolarHBondContact OD1-NH1 3.41Å; D878-R881 IonicContact OD1-NH2 3.92Å; D878-R881 PolarHBondContact OD1-NH2 3Å; D878-R881 IonicContact OD2-NH2 3.2Å; D878-R882 WeakPolarHBondContact O-CB 3.24Å; D878-R882 WeakPolarHBondContact O-CD 3.24Å; D878-R882 WeakPolarHBondContact O-CG 3.19Å; D878-R882 PolarHBondContact O-N 3.19Å; D878-R882 IonicContact OD2-NH2 3.54Å; D878-R882 PolarHBondContact OD2-NH2 3.44Å
879	D	92.9	Very high	93.7	Very high	95 Å²	95	60.1 Å²	60.1	51%	0.508	30%	0.304	S	S	.	.	H	α-helix	trans	-76.2	-34.7	-175.7	-64.6	-38.8	0	0	0	111.8	S877 R882 F883	S877-D879 PolarHBondContact O-N 3.11Å; S877-D879 PolarHBondContact OG-N 2.85Å; D879-R882 IonicContact OD1-NH1 2.72Å; D879-R882 PolarHBondContact OD1-NH1 3.24Å; D879-F883 WeakPolarHBondContact O-CB 3.46Å; D879-F883 PolarHBondContact O-N 3.49Å; D879-F883 VanDerWaalsContact O-N 3.1Å
880	V	96.3	Very high	92.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.9	-48.8	171.8	-178.4	0	0	0	0	109.9	T846 R849 L850 L853 V871 D875 S877 R882 F883 A884	T846-V880 HydrophobicContact CG2-CG2 3.86Å; R849-V880 HydrophobicContact CB-CG1 4.35Å; R849-V880 HydrophobicContact CB-CG2 4.41Å; L850-V880 HydrophobicContact CB-CG2 4.16Å; L853-V880 HydrophobicContact CD1-CG1 3.55Å; L853-V880 WeakPolarHBondContact CD1-O 3.35Å; V871-V880 HydrophobicContact CG1-CG1 3.75Å; D875-V880 HydrophobicContact CB-CB 4.29Å; D875-V880 HydrophobicContact CB-CG1 4.03Å; D875-V880 WeakPolarHBondContact OD2-CG1 3.45Å; S877-V880 PolarHBondContact O-N 2.75Å; V880-R882 PolarHBondContact O-N 3.07Å; V880-F883 PolarHBondContact O-N 3.47Å; V880-A884 PolarHBondContact O-N 3.06Å
881	R	96.9	Very high	91.8	Very high	68 Å²	68	58.9 Å²	58.9	26%	0.257	30%	0.304	S	S	.	.	H	α-helix	trans	-56.4	-51.3	176.4	-68.3	-160	-52.2	-72.6	-2.7	111.7	A872 D875 V876 S877 D878 F883 A884 T885	A872-R881 WeakPolarHBondContact O-CB 3.4Å; A872-R881 VanDerWaalsContact O-CD 3.31Å; A872-R881 WeakPolarHBondContact O-CD 3.41Å; A872-R881 WeakPolarHBondContact O-CG 3.39Å; D875-R881 HydrophobicContact CB-CG 3.82Å; D875-R881 WeakPolarHBondContact O-CD 3.15Å; D875-R881 WeakPolarHBondContact O-CG 3.11Å; D875-R881 PolarHBondContact O-NH1 3.45Å; V876-R881 PolarHBondContact O-NH1 3.28Å; S877-R881 VanDerWaalsContact C-NH1 3.34Å; S877-R881 WeakPolarHBondContact O-CG 3.45Å; S877-R881 PolarHBondContact O-N 3.18Å; D878-R881 IonicContact OD1-CZ 2.75Å; D878-R881 IonicContact OD1-NH1 2.76Å; D878-R881 PolarHBondContact OD1-NH1 3.41Å; D878-R881 IonicContact OD1-NH2 3.92Å; D878-R881 PolarHBondContact OD1-NH2 3Å; D878-R881 IonicContact OD2-NH2 3.2Å; R881-F883 VanDerWaalsContact C-N 3.33Å; R881-F883 PolarHBondContact O-N 3.42Å; R881-A884 PolarHBondContact O-N 3.25Å; R881-T885 PolarHBondContact O-N 3.09Å; R881-T885 PolarHBondContact O-OG1 2.87Å
882	R	94.9	Very high	90.2	Very high	155 Å²	155	64.8 Å²	64.8	59%	0.585	33%	0.331	S	S	*	.	H	α-helix	trans	-58.1	-41	179	-75.2	167.4	-171.6	165	7.1	113.1	D878 D879 V880 S886	D878-R882 WeakPolarHBondContact O-CB 3.24Å; D878-R882 WeakPolarHBondContact O-CD 3.24Å; D878-R882 WeakPolarHBondContact O-CG 3.19Å; D878-R882 PolarHBondContact O-N 3.19Å; D878-R882 IonicContact OD2-NH2 3.54Å; D878-R882 PolarHBondContact OD2-NH2 3.44Å; D879-R882 IonicContact OD1-NH1 2.72Å; D879-R882 PolarHBondContact OD1-NH1 3.24Å; V880-R882 PolarHBondContact O-N 3.07Å; R882-S886 PolarHBondContact O-N 2.6Å
883	F	95.2	Very high	88.7	Confident	67 Å²	67	68.4 Å²	68.4	29%	0.294	35%	0.347	S	S	.	.	H	α-helix	trans	-67.8	-43.9	177.9	-170.4	-85.8	0	0	0	111.2	L850 L853 K854 A857 D879 V880 R881 T885 S886 M887	L850-F883 HydrophobicContact CD1-CB 3.72Å; L850-F883 HydrophobicContact CD1-CD1 4.39Å; L850-F883 HydrophobicContact CD1-CD2 4.3Å; L850-F883 HydrophobicContact CD1-CG 3.87Å; L853-F883 HydrophobicContact CB-CD1 3.66Å; L853-F883 HydrophobicContact CB-CE1 3.91Å; L853-F883 HydrophobicContact CD1-CB 4.47Å; L853-F883 HydrophobicContact CD1-CD1 4.09Å; K854-F883 HydrophobicContact CB-CZ 4.41Å; K854-F883 HydrophobicContact CG-CE1 3.99Å; K854-F883 HydrophobicContact CG-CE2 3.93Å; K854-F883 HydrophobicContact CG-CZ 3.56Å; A857-F883 HydrophobicContact CB-CE1 4.37Å; A857-F883 HydrophobicContact CB-CZ 4.49Å; D879-F883 WeakPolarHBondContact O-CB 3.46Å; D879-F883 PolarHBondContact O-N 3.49Å; D879-F883 VanDerWaalsContact O-N 3.1Å; V880-F883 PolarHBondContact O-N 3.47Å; R881-F883 VanDerWaalsContact C-N 3.33Å; R881-F883 PolarHBondContact O-N 3.42Å; F883-T885 PolarHBondContact O-N 3.33Å; F883-S886 PolarHBondContact O-N 3.25Å; F883-S886 VanDerWaalsContact O-N 3.16Å; F883-M887 PolarHBondContact O-N 3.2Å
884	A	95.6	Very high	86.8	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.2	-44.8	175.2	0	0	0	0	0	112.2	L853 I868 V871 A872 V880 R881 S886 M887 L888	L853-A884 HydrophobicContact CD1-CB 3.9Å; L853-A884 HydrophobicContact CD2-CB 4.27Å; I868-A884 HydrophobicContact CG2-CB 3.96Å; V871-A884 HydrophobicContact CG1-CB 4.22Å; A872-A884 HydrophobicContact CB-CB 3.7Å; V880-A884 PolarHBondContact O-N 3.06Å; R881-A884 PolarHBondContact O-N 3.25Å; A884-S886 VanDerWaalsContact C-N 3.31Å; A884-S886 PolarHBondContact O-N 3.09Å; A884-M887 WeakPolarHBondContact O-CB 3.47Å; A884-M887 PolarHBondContact O-N 2.9Å; A884-L888 WeakPolarHBondContact O-CG 3.43Å; A884-L888 PolarHBondContact O-N 3.36Å
885	T	94.6	Very high	84.9	Confident	79 Å²	79	68.3 Å²	68.3	49%	0.485	35%	0.35	S	S	.	.	H	α-helix	trans	-59.2	-40.5	173.2	-45	0	0	0	0	112.2	R881 F883 M887 L888 R889	R881-T885 PolarHBondContact O-N 3.09Å; R881-T885 PolarHBondContact O-OG1 2.87Å; F883-T885 PolarHBondContact O-N 3.33Å; T885-M887 VanDerWaalsContact C-N 3.34Å; T885-L888 PolarHBondContact O-N 3.34Å; T885-R889 PolarHBondContact O-N 3.3Å; T885-R889 VanDerWaalsContact O-N 3.17Å
886	S	92.8	Very high	82.6	Confident	63 Å²	63	73 Å²	73	44%	0.441	38%	0.379	S	S	.	.	H	α-helix	trans	-68.4	-32.8	178	-169	0	0	0	0	112.9	R882 F883 A884 G890	R882-S886 PolarHBondContact O-N 2.6Å; F883-S886 PolarHBondContact O-N 3.25Å; F883-S886 VanDerWaalsContact O-N 3.16Å; A884-S886 VanDerWaalsContact C-N 3.31Å; A884-S886 PolarHBondContact O-N 3.09Å; S886-G890 PolarHBondContact O-N 3.33Å
887	M	91.1	Very high	80.2	Confident	17 Å²	17	74.6 Å²	74.6	8%	0.084	37%	0.37	C	S	.	.	H	α-helix	trans	-67.9	-44.3	174.9	179.8	176.5	172.3	0	0	111	L856 A857 I864 I868 F883 A884 T885 R889 G890 F891	L856-M887 HydrophobicContact CB-CE 4.06Å; A857-M887 HydrophobicContact CB-CE 4.16Å; A857-M887 HydrophobicContact CB-CG 4.32Å; A857-M887 HydrophobicContact CB-SD 3.92Å; I864-M887 HydrophobicContact CD1-CE 4.08Å; I868-M887 HydrophobicContact CD1-CE 4.09Å; I868-M887 HydrophobicContact CD1-SD 4.15Å; I868-M887 HydrophobicContact CG1-CE 4.1Å; I868-M887 HydrophobicContact CG1-SD 4.36Å; I868-M887 HydrophobicContact CG2-CG 4.46Å; I868-M887 HydrophobicContact CG2-SD 4.08Å; F883-M887 PolarHBondContact O-N 3.2Å; A884-M887 WeakPolarHBondContact O-CB 3.47Å; A884-M887 PolarHBondContact O-N 2.9Å; T885-M887 VanDerWaalsContact C-N 3.34Å; M887-R889 PolarHBondContact O-N 3.48Å; M887-G890 PolarHBondContact O-N 2.99Å; M887-G890 VanDerWaalsContact O-N 3.13Å; M887-F891 HydrophobicContact CE-CE2 3.68Å; M887-F891 HydrophobicContact CE-CZ 3.57Å; M887-F891 HydrophobicContact CG-CD2 4.48Å; M887-F891 HydrophobicContact CG-CE2 3.82Å; M887-F891 HydrophobicContact CG-CZ 4.24Å; M887-F891 PolarHBondContact O-N 3.43Å
888	L	89.3	Confident	77.5	Confident	26 Å²	26	82.8 Å²	82.8	14%	0.136	41%	0.41	C	S	.	.	H	α-helix	trans	-60	-45.7	177	-68.7	163.6	0	0	0	112.5	T865 I868 A872 A884 T885 G890 F891 E892	T865-L888 HydrophobicContact CG2-CD2 3.75Å; I868-L888 HydrophobicContact CB-CD2 4.09Å; I868-L888 HydrophobicContact CB-CG 4.47Å; I868-L888 HydrophobicContact CG2-CD1 4.23Å; I868-L888 HydrophobicContact CG2-CD2 3.98Å; I868-L888 HydrophobicContact CG2-CG 3.84Å; A872-L888 HydrophobicContact CB-CD1 3.83Å; A884-L888 WeakPolarHBondContact O-CG 3.43Å; A884-L888 PolarHBondContact O-N 3.36Å; T885-L888 PolarHBondContact O-N 3.34Å; L888-G890 PolarHBondContact O-N 3.34Å; L888-F891 PolarHBondContact O-N 3.09Å; L888-F891 VanDerWaalsContact O-N 3.11Å; L888-E892 PolarHBondContact O-N 3.4Å
889	R	85.8	Confident	76.7	Confident	142 Å²	142	83.1 Å²	83.1	54%	0.536	41%	0.41	S	S	.	.	H	α-helix	trans	-60.4	-34.5	175.8	-165.7	-176	72.1	-136.2	-11	112.3	T885 M887 E892 E893	T885-R889 PolarHBondContact O-N 3.3Å; T885-R889 VanDerWaalsContact O-N 3.17Å; M887-R889 PolarHBondContact O-N 3.48Å; R889-E892 PolarHBondContact O-N 3.11Å; R889-E893 IonicContact NE-OE1 3.72Å; R889-E893 PolarHBondContact NE-OE1 3.44Å; R889-E893 WeakPolarHBondContact O-CG 3.15Å; R889-E893 PolarHBondContact O-N 3.49Å
890	G	76.1	Confident	75.8	Confident	38 Å²	38	82.4 Å²	82.4	39%	0.392	41%	0.405	S	S	.	.	H	α-helix	trans	-59.8	-45.8	173.9	0	0	0	0	0	112.4	S886 M887 L888 E893 E894	S886-G890 PolarHBondContact O-N 3.33Å; M887-G890 PolarHBondContact O-N 2.99Å; M887-G890 VanDerWaalsContact O-N 3.13Å; L888-G890 PolarHBondContact O-N 3.34Å; G890-E893 PolarHBondContact O-N 3.27Å; G890-E894 PolarHBondContact O-N 3.47Å
891	F	70.6	Confident	74.7	Confident	24 Å²	24	87 Å²	87	11%	0.105	43%	0.428	C	S	.	.	H	α-helix	trans	-63.3	-40.4	174.8	-63.8	-50.6	0	0	0	112.6	D860 M887 L888 E894 V895	D860-F891 VanDerWaalsContact OD1-CE1 3.32Å; D860-F891 WeakPolarHBondContact OD1-CE1 3.22Å; M887-F891 HydrophobicContact CE-CE2 3.68Å; M887-F891 HydrophobicContact CE-CZ 3.57Å; M887-F891 HydrophobicContact CG-CD2 4.48Å; M887-F891 HydrophobicContact CG-CE2 3.82Å; M887-F891 HydrophobicContact CG-CZ 4.24Å; M887-F891 PolarHBondContact O-N 3.43Å; L888-F891 PolarHBondContact O-N 3.09Å; L888-F891 VanDerWaalsContact O-N 3.11Å; F891-E894 PolarHBondContact O-N 3.32Å; F891-V895 WeakPolarHBondContact O-CB 3.48Å; F891-V895 VanDerWaalsContact O-CG2 3.31Å; F891-V895 WeakPolarHBondContact O-CG2 3.39Å; F891-V895 PolarHBondContact O-N 3.4Å
892	E	61.3	Low	73.3	Confident	128 Å²	128	88.1 Å²	88.1	60%	0.598	44%	0.438	S	S	*	.	H	α-helix	trans	-64.3	-39.7	177.6	-68.6	179.1	162.3	0	0	112.7	L888 R889 E894 T896	L888-E892 PolarHBondContact O-N 3.4Å; R889-E892 PolarHBondContact O-N 3.11Å; E892-E894 VanDerWaalsContact C-N 3.31Å; E892-E894 PolarHBondContact O-N 3.36Å; E892-T896 WeakPolarHBondContact O-CB 3.4Å; E892-T896 WeakPolarHBondContact O-CG2 3.48Å; E892-T896 PolarHBondContact O-N 3.43Å; E892-T896 PolarHBondContact O-OG1 3.29Å
893	E	62.6	Low	72	Confident	84 Å²	84	83.9 Å²	83.9	39%	0.393	43%	0.429	S	S	.	.	H	α-helix	trans	-67.9	-27.3	176.2	-74.1	-179.9	-140.9	0	0	113	R889 G890 T896 R897	R889-E893 IonicContact NE-OE1 3.72Å; R889-E893 PolarHBondContact NE-OE1 3.44Å; R889-E893 WeakPolarHBondContact O-CG 3.15Å; R889-E893 PolarHBondContact O-N 3.49Å; G890-E893 PolarHBondContact O-N 3.27Å; E893-T896 PolarHBondContact O-OG1 3.36Å; E893-R897 WeakPolarHBondContact O-CD 3.35Å; E893-R897 VanDerWaalsContact O-CG 3.31Å; E893-R897 WeakPolarHBondContact O-CG 3.18Å; E893-R897 PolarHBondContact O-NE 2.99Å; E893-R897 IonicContact OE2-NH2 3.26Å
894	E	54.2	Low	70.4	Confident	98 Å²	98	85.1 Å²	85.1	46%	0.458	44%	0.438	S	S	.	.	H	α-helix	trans	-81.1	-44.8	175.4	-156.8	69.6	-168.7	0	0	110.9	G890 F891 E892 T896 R897 I898	G890-E894 PolarHBondContact O-N 3.47Å; F891-E894 PolarHBondContact O-N 3.32Å; E892-E894 VanDerWaalsContact C-N 3.31Å; E892-E894 PolarHBondContact O-N 3.36Å; E894-T896 PolarHBondContact O-N 3.09Å; E894-R897 PolarHBondContact O-N 3.28Å; E894-R897 IonicContact OE2-NH1 2.7Å; E894-R897 PolarHBondContact OE2-NH1 3.17Å; E894-I898 PolarHBondContact O-N 3.27Å
895	V	52.8	Low	68.7	Low	101 Å²	101	91.1 Å²	91.1	61%	0.612	47%	0.469	S	S	*	.	H	α-helix	trans	-63.4	-27.8	177	170.9	0	0	0	0	112.6	F891	F891-V895 WeakPolarHBondContact O-CB 3.48Å; F891-V895 VanDerWaalsContact O-CG2 3.31Å; F891-V895 WeakPolarHBondContact O-CG2 3.39Å; F891-V895 PolarHBondContact O-N 3.4Å
896	T	46.7	Very low	66.7	Low	116 Å²	116	92.1 Å²	92.1	71%	0.712	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-3.3	175.2	48.2	0	0	0	0	114.6	E892 E893 E894	E892-T896 WeakPolarHBondContact O-CB 3.4Å; E892-T896 WeakPolarHBondContact O-CG2 3.48Å; E892-T896 PolarHBondContact O-N 3.43Å; E892-T896 PolarHBondContact O-OG1 3.29Å; E893-T896 PolarHBondContact O-OG1 3.36Å; E894-T896 PolarHBondContact O-N 3.09Å
897	R	42.8	Very low	64.5	Low	171 Å²	171	94.5 Å²	94.5	65%	0.645	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-14.6	171.8	-71.8	174.8	-161.7	160.5	8.7	113.9	E893 E894	E893-R897 WeakPolarHBondContact O-CD 3.35Å; E893-R897 VanDerWaalsContact O-CG 3.31Å; E893-R897 WeakPolarHBondContact O-CG 3.18Å; E893-R897 PolarHBondContact O-NE 2.99Å; E893-R897 IonicContact OE2-NH2 3.26Å; E894-R897 PolarHBondContact O-N 3.28Å; E894-R897 IonicContact OE2-NH1 2.7Å; E894-R897 PolarHBondContact OE2-NH1 3.17Å
898	I	40.8	Very low	62.1	Low	189 Å²	189	101.5 Å²	101.5	97%	0.969	51%	0.505	S	S	*	.			trans	-91.5	0	178.1	-60.4	168.3	0	0	0	109.7	E894	E894-I898 PolarHBondContact O-N 3.27Å

Retrieved 898 of 898 residues in 877.4 ms (Link to these results)

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