A0A060W418_ONCMY Loading...

ATP-dependent RNA helicase DHX8

Involved in pre-mRNA splicing as component of the spliceosome. Facilitates nuclear export of spliced mRNA by releasing the RNA from the spliceosome.

AlphaFold DB , UniProt , Accession A0A060W418, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110491480, Length 1,222 aa.

						>A0A060W418_ONCMY|A0A060W418|LOC110491480
MLLFSSEHKTVSWIMSHIGDNELEQLEYLSLVSKVCTELDNHLGISDKDLAEFVISLAEKQPTFDGFKSLLLKNGAEFTDSLVGNLLRLIQTMRPPPKASSSKAFEPVVKQKSDKDKLKELFPALCRPDDPAPKAILDEDDVKIADAAMKELEMFMPSVSRSDSKSKSRSDKKRRHSRSRSRDRDRRRRHRSRSRSRSRSRSRDRDRQRERDRERDRDRGKKRASRWNERSRTPSPHRDRDRDTKEGSDRWKDKHVDRPPPEEPTVGDIFNGKITSIMQFGCFVQLEGLRKRWEGLVHISELRREGRVANVADVVQKGQRVKIKVLSFTGSKTSLSMKDVDQETGEDLNPNRRRNQGPDGEEEKIMRNPDRPTNLNLGHAPELEDDTLERKRLTKISDPEKWEIKQMIAANVLSKEEFPDFDEETGILPKVDDEEDEDLEIELVEEEPPFLRGHTKQSMDMSPVKIVKNPDGSLSQAAMMQSALAKERREVKQCQREAEMDSIPMGLNKHWVDPLPDVDGRQIAANMRGIGMMPTDIPEWKKHAFGGNKASYGKKTAMSILEQRESLPIYKLKEQLIQAVHDNQILIVIGETGSGKTTQITQYLAEAGYTTRGKIGCTQPRRVAAMSVAKRVSEEYGCCLGQEVGYTIRFEDCTSPETVIKYMTDGMLLRECLIDPDLGQYAIIMLDEAHERTIHTDVLFGLLKKTVQKRTDMKLIVTSATLDAVKFSQYFYEAPIFTIPGRTYPVEVLYTKEPETDYLDASLITVMQIHLTEPPGDVLVFLTGQEEIDTACEILYERMKSLGPEVPELIILPVYSALPSEMQTRIFDPAPPGSRKVVIATNIAETSLTIDGIYYVVDPGFVKQKVYNSKTGIDQLVVTPISQAQAKQRAGRAGRTGPGKTYRLYTERAYRDEMLTTNVPEIQRTNLASTVLSLKAMGINDLLSFDFMDAPPMETLITAMEQLYTLGSLDDEGLLTRLGRRMAEFPLEPMLCKMLIMSVHLGCSEEMLTIVSMLSVQNVFYRPKDKQALADQKKAKFHQAEGDHLTLLAVYNSWKNNKFSNPWCYENFIQARSLRRAQDIRKQMLGIMDRHKLDVVTCGKATVRVQKAICSGFFRNAAKKDPQEGYRTLIDQQVVYIHPSSALFNRQPEWVVYHELVLTTKEYMREVTTIDPRWLVEFSPAFFKVSDPTRLSKQKKQQRLEPLYNRYEEPNAWRISRAFRRR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	30.8	Very low	222 Å²	222	131.5 Å²	131.5	100%	1.094	68%	0.68	S	S	*	*				0	-29.7	0	-94.4	173.1	170.9	0	0	114.6	L3	M1-L3 PolarHBondContact O-N 3.14Å
2	L	25.1	Very low	30.8	Very low	172 Å²	172	127.2 Å²	127.2	90%	0.901	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-5.2	-176.2	-73.2	166.5	0	0	0	116.6
3	L	26.4	Very low	31.2	Very low	148 Å²	148	131.2 Å²	131.2	78%	0.775	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-17.1	179.3	-79.8	162.6	0	0	0	114.7	M1 S6	M1-L3 PolarHBondContact O-N 3.14Å; L3-S6 PolarHBondContact O-OG 2.9Å
4	F	26.2	Very low	31.8	Very low	159 Å²	159	127.7 Å²	127.7	70%	0.697	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-0.9	-172.3	-91.6	-83.4	0	0	0	115.1
5	S	30.9	Very low	32	Very low	87 Å²	87	125.5 Å²	125.5	61%	0.608	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-11.7	-175.9	-173.4	0	0	0	0	114.7
6	S	31.1	Very low	32.5	Very low	72 Å²	72	122.3 Å²	122.3	50%	0.503	63%	0.632	S	S	.	*	S	Bend	trans	-81.4	-51.5	-179.8	45.6	0	0	0	0	111.6	L3 H8 K9	L3-S6 PolarHBondContact O-OG 2.9Å; S6-H8 VanDerWaalsContact C-N 3.27Å; S6-H8 PolarHBondContact O-N 2.68Å; S6-K9 PolarHBondContact O-N 2.61Å
7	E	30.7	Very low	32.9	Very low	122 Å²	122	123.6 Å²	123.6	57%	0.57	64%	0.635	S	S	*	*	H	α-helix	trans	-53.4	-41.2	-176.1	-62.2	-176.7	142	0	0	112.8	K9 T10 V11	E7-K9 PolarHBondContact O-N 3.38Å; E7-K9 VanDerWaalsContact O-N 3.15Å; E7-T10 PolarHBondContact O-N 3.39Å; E7-T10 VanDerWaalsContact O-N 3.17Å; E7-V11 WeakPolarHBondContact O-CB 3.45Å; E7-V11 WeakPolarHBondContact O-CG2 3.32Å; E7-V11 PolarHBondContact O-N 3.47Å
8	H	30.2	Very low	33.5	Very low	151 Å²	151	119.5 Å²	119.5	70%	0.699	61%	0.613	S	S	*	*	H	α-helix	trans	-57.3	-29.6	180	-99.6	-68.8	0	0	0	114.5	S6 S12	S6-H8 VanDerWaalsContact C-N 3.27Å; S6-H8 PolarHBondContact O-N 2.68Å; H8-S12 VanDerWaalsContact O-CB 3.26Å; H8-S12 WeakPolarHBondContact O-CB 3.48Å; H8-S12 PolarHBondContact O-N 3.43Å; H8-S12 VanDerWaalsContact O-N 3.16Å
9	K	34.6	Very low	34.1	Very low	162 Å²	162	115.1 Å²	115.1	70%	0.704	60%	0.601	S	S	*	*	H	α-helix	trans	-82.8	-40	177	-72	-177.1	-179.2	174.9	0	112	S6 E7 S12 W13	S6-K9 PolarHBondContact O-N 2.61Å; E7-K9 PolarHBondContact O-N 3.38Å; E7-K9 VanDerWaalsContact O-N 3.15Å; K9-S12 PolarHBondContact O-N 3.21Å; K9-W13 PolarHBondContact O-N 3.37Å
10	T	33.8	Very low	35	Very low	86 Å²	86	115.5 Å²	115.5	53%	0.528	60%	0.603	S	S	.	*	H	α-helix	trans	-63.8	-44.4	176.7	-38.7	0	0	0	0	110.7	E7 W13 I14	E7-T10 PolarHBondContact O-N 3.39Å; E7-T10 VanDerWaalsContact O-N 3.17Å; T10-W13 PolarHBondContact O-N 3.26Å; T10-I14 HydrophobicContact CG2-CD1 4.28Å; T10-I14 WeakPolarHBondContact O-CG1 3.4Å; T10-I14 PolarHBondContact O-N 3.01Å
11	V	35.4	Very low	35.7	Very low	66 Å²	66	115.9 Å²	115.9	40%	0.4	61%	0.606	S	S	.	*	H	α-helix	trans	-60.7	-45.6	172.2	173.2	0	0	0	0	110.7	E7 W13 I14 M15	E7-V11 WeakPolarHBondContact O-CB 3.45Å; E7-V11 WeakPolarHBondContact O-CG2 3.32Å; E7-V11 PolarHBondContact O-N 3.47Å; V11-W13 PolarHBondContact O-N 3.06Å; V11-I14 PolarHBondContact O-N 3.02Å; V11-M15 HydrophobicContact CG1-CE 3.78Å; V11-M15 HydrophobicContact CG1-CG 4Å; V11-M15 HydrophobicContact CG1-SD 3.71Å; V11-M15 WeakPolarHBondContact O-CB 3.24Å; V11-M15 VanDerWaalsContact O-CG 3.26Å; V11-M15 WeakPolarHBondContact O-CG 3.44Å; V11-M15 PolarHBondContact O-N 3.44Å
12	S	31.4	Very low	36.7	Very low	79 Å²	79	110.5 Å²	110.5	55%	0.552	58%	0.579	S	S	*	*	H	α-helix	trans	-62.1	-24.2	177.1	-176.4	0	0	0	0	114.3	H8 K9	H8-S12 VanDerWaalsContact O-CB 3.26Å; H8-S12 WeakPolarHBondContact O-CB 3.48Å; H8-S12 PolarHBondContact O-N 3.43Å; H8-S12 VanDerWaalsContact O-N 3.16Å; K9-S12 PolarHBondContact O-N 3.21Å
13	W	36.2	Very low	38.3	Very low	180 Å²	180	104.1 Å²	104.1	68%	0.682	55%	0.545	S	S	*	.	H	α-helix	trans	-81.9	-44.5	173.3	-169.5	75.5	0	0	0	111.2	K9 T10 V11 M15 S16	K9-W13 PolarHBondContact O-N 3.37Å; T10-W13 PolarHBondContact O-N 3.26Å; V11-W13 PolarHBondContact O-N 3.06Å; W13-M15 VanDerWaalsContact C-N 3.34Å; W13-M15 PolarHBondContact O-N 2.99Å; W13-S16 WeakPolarHBondContact O-CB 3.44Å; W13-S16 PolarHBondContact O-N 2.6Å; W13-S16 PolarHBondContact O-OG 2.95Å
14	I	38.9	Very low	40	Very low	82 Å²	82	102 Å²	102	42%	0.421	53%	0.531	S	S	.	.	H	α-helix	trans	-58.8	-44.9	175.3	-68.5	165	0	0	0	111.1	T10 V11 S16 H17 I18	T10-I14 HydrophobicContact CG2-CD1 4.28Å; T10-I14 WeakPolarHBondContact O-CG1 3.4Å; T10-I14 PolarHBondContact O-N 3.01Å; V11-I14 PolarHBondContact O-N 3.02Å; I14-S16 PolarHBondContact O-N 3.44Å; I14-S16 VanDerWaalsContact O-N 3.07Å; I14-H17 PolarHBondContact O-N 3.4Å; I14-H17 VanDerWaalsContact O-N 3.12Å; I14-I18 HydrophobicContact CG2-CD1 3.53Å; I14-I18 HydrophobicContact CG2-CG1 4.33Å; I14-I18 PolarHBondContact O-N 2.99Å
15	M	35.7	Very low	42	Very low	95 Å²	95	100.5 Å²	100.5	47%	0.468	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-13.5	175.3	-73.5	-177.4	157.9	0	0	114.4	V11 W13 L23	V11-M15 HydrophobicContact CG1-CE 3.78Å; V11-M15 HydrophobicContact CG1-CG 4Å; V11-M15 HydrophobicContact CG1-SD 3.71Å; V11-M15 WeakPolarHBondContact O-CB 3.24Å; V11-M15 VanDerWaalsContact O-CG 3.26Å; V11-M15 WeakPolarHBondContact O-CG 3.44Å; V11-M15 PolarHBondContact O-N 3.44Å; W13-M15 VanDerWaalsContact C-N 3.34Å; W13-M15 PolarHBondContact O-N 2.99Å; M15-L23 HydrophobicContact CB-CD1 4.29Å; M15-L23 HydrophobicContact CG-CD1 4.01Å
16	S	39.2	Very low	43.6	Very low	74 Å²	74	101 Å²	101	52%	0.517	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-5.5	177.1	72.6	0	0	0	0	114.3	W13 I14	W13-S16 WeakPolarHBondContact O-CB 3.44Å; W13-S16 PolarHBondContact O-N 2.6Å; W13-S16 PolarHBondContact O-OG 2.95Å; I14-S16 PolarHBondContact O-N 3.44Å; I14-S16 VanDerWaalsContact O-N 3.07Å
17	H	40.3	Very low	45.6	Very low	145 Å²	145	101.6 Å²	101.6	67%	0.671	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129	-0.5	-175.2	-74.9	70	0	0	0	114.2	I14	I14-H17 PolarHBondContact O-N 3.4Å; I14-H17 VanDerWaalsContact O-N 3.12Å
18	I	42.6	Very low	47.9	Very low	49 Å²	49	99 Å²	99	25%	0.251	50%	0.502	S	S	.	.	S	Bend	trans	-98.8	137.8	173.8	-65.3	179.6	0	0	0	108.2	I14 E22 L23 L26	I14-I18 HydrophobicContact CG2-CD1 3.53Å; I14-I18 HydrophobicContact CG2-CG1 4.33Å; I14-I18 PolarHBondContact O-N 2.99Å; I18-E22 HydrophobicContact CG2-CB 3.54Å; I18-L23 HydrophobicContact CG2-CB 4.02Å; I18-L26 HydrophobicContact CD1-CD1 3.96Å; I18-L26 HydrophobicContact CG2-CD1 4.47Å
19	G	45.8	Very low	50.2	Low	36 Å²	36	95.9 Å²	95.9	37%	0.371	49%	0.49	S	S	.	.			trans	-72.7	146.6	177	0	0	0	0	0	112.3	N21 E22 L23	G19-N21 PolarHBondContact O-N 2.92Å; G19-E22 PolarHBondContact N-OE2 3.01Å; G19-E22 WeakPolarHBondContact O-CA 3.49Å; G19-E22 WeakPolarHBondContact O-CB 3.42Å; G19-E22 PolarHBondContact O-N 2.84Å; G19-L23 PolarHBondContact O-N 3.28Å
20	D	51	Low	52.4	Low	122 Å²	122	90.6 Å²	90.6	65%	0.652	47%	0.473	S	S	*	.	H	α-helix	trans	-45.4	-43.2	-178.1	-75	-4.5	0	0	0	113.4	L23 E24	D20-L23 PolarHBondContact O-N 3.02Å; D20-E24 PolarHBondContact O-N 3.33Å
21	N	50	Low	54.8	Low	124 Å²	124	86.6 Å²	86.6	66%	0.663	45%	0.449	S	S	*	.	H	α-helix	trans	-66.4	-35.7	178.4	-69.3	-3.5	0	0	0	113.8	G19 L23 Q25	G19-N21 PolarHBondContact O-N 2.92Å; N21-L23 VanDerWaalsContact C-N 3.35Å; N21-Q25 WeakPolarHBondContact O-CG 3.34Å; N21-Q25 PolarHBondContact O-N 2.94Å
22	E	54.5	Low	57.1	Low	110 Å²	110	83.6 Å²	83.6	51%	0.514	43%	0.431	S	S	.	.	H	α-helix	trans	-73.9	-32.8	177.5	-62.5	172.9	138.5	0	0	110.3	I18 G19 Q25 L26	I18-E22 HydrophobicContact CG2-CB 3.54Å; G19-E22 PolarHBondContact N-OE2 3.01Å; G19-E22 WeakPolarHBondContact O-CA 3.49Å; G19-E22 WeakPolarHBondContact O-CB 3.42Å; G19-E22 PolarHBondContact O-N 2.84Å; E22-Q25 PolarHBondContact O-N 2.65Å; E22-L26 WeakPolarHBondContact O-CG 3.29Å; E22-L26 PolarHBondContact O-N 3.2Å
23	L	59.1	Low	59.6	Low	37 Å²	37	83.3 Å²	83.3	19%	0.194	43%	0.429	C	S	.	.	H	α-helix	trans	-69.6	-45.6	175.3	-156.9	155.9	0	0	0	110.7	M15 I18 G19 D20 N21 Q25 L26 E27	M15-L23 HydrophobicContact CB-CD1 4.29Å; M15-L23 HydrophobicContact CG-CD1 4.01Å; I18-L23 HydrophobicContact CG2-CB 4.02Å; G19-L23 PolarHBondContact O-N 3.28Å; D20-L23 PolarHBondContact O-N 3.02Å; N21-L23 VanDerWaalsContact C-N 3.35Å; L23-Q25 VanDerWaalsContact C-N 3.29Å; L23-Q25 PolarHBondContact O-N 3.45Å; L23-L26 PolarHBondContact O-N 3.32Å; L23-E27 HydrophobicContact CD2-CG 4.3Å; L23-E27 PolarHBondContact O-N 3.09Å
24	E	63.2	Low	61.8	Low	103 Å²	103	79 Å²	79	48%	0.481	42%	0.415	S	S	.	.	H	α-helix	trans	-60.3	-35.7	170.6	-73.9	-172.9	-175.7	0	0	112.1	D20 Y28	D20-E24 PolarHBondContact O-N 3.33Å; E24-Y28 WeakPolarHBondContact O-CB 3.48Å; E24-Y28 PolarHBondContact O-N 3.06Å
25	Q	66.9	Low	63.9	Low	129 Å²	129	75.1 Å²	75.1	60%	0.603	40%	0.395	S	S	*	.	H	α-helix	trans	-67.4	-41.2	173.2	-79.6	-179.1	1.3	0	0	112.9	N21 E22 L23 Y28 L29	N21-Q25 WeakPolarHBondContact O-CG 3.34Å; N21-Q25 PolarHBondContact O-N 2.94Å; E22-Q25 PolarHBondContact O-N 2.65Å; L23-Q25 VanDerWaalsContact C-N 3.29Å; L23-Q25 PolarHBondContact O-N 3.45Å; Q25-Y28 PolarHBondContact O-N 3.07Å; Q25-L29 WeakPolarHBondContact O-CB 3.33Å; Q25-L29 VanDerWaalsContact O-CG 3.3Å; Q25-L29 WeakPolarHBondContact O-CG 3.23Å; Q25-L29 PolarHBondContact O-N 3.48Å
26	L	65.6	Low	66.2	Low	98 Å²	98	71.6 Å²	71.6	51%	0.513	38%	0.379	S	S	.	.	H	α-helix	trans	-67	-38.6	176.7	-75.5	165.8	0	0	0	112	I18 E22 L23 S30	I18-L26 HydrophobicContact CD1-CD1 3.96Å; I18-L26 HydrophobicContact CG2-CD1 4.47Å; E22-L26 WeakPolarHBondContact O-CG 3.29Å; E22-L26 PolarHBondContact O-N 3.2Å; L23-L26 PolarHBondContact O-N 3.32Å; L26-S30 WeakPolarHBondContact O-CB 3.5Å; L26-S30 PolarHBondContact O-N 3.19Å
27	E	72	Confident	68.3	Low	83 Å²	83	71.4 Å²	71.4	39%	0.388	38%	0.375	S	S	.	.	H	α-helix	trans	-64.9	-43	172.5	-72.1	-172.2	168.1	0	0	111.8	L23 S30 L31	L23-E27 HydrophobicContact CD2-CG 4.3Å; L23-E27 PolarHBondContact O-N 3.09Å; E27-S30 WeakPolarHBondContact O-CB 3.45Å; E27-S30 PolarHBondContact O-N 3.33Å; E27-L31 PolarHBondContact O-N 2.77Å
28	Y	78.8	Confident	70.3	Confident	68 Å²	68	67 Å²	67	27%	0.267	36%	0.355	S	S	.	.	H	α-helix	trans	-61.8	-46.1	174.7	-177.5	-99.3	0	0	0	112.1	E24 Q25 S30 L31 V32 E52 I55	E24-Y28 WeakPolarHBondContact O-CB 3.48Å; E24-Y28 PolarHBondContact O-N 3.06Å; Q25-Y28 PolarHBondContact O-N 3.07Å; Y28-S30 VanDerWaalsContact C-N 3.29Å; Y28-S30 PolarHBondContact O-N 2.75Å; Y28-L31 WeakPolarHBondContact O-CB 3.23Å; Y28-L31 PolarHBondContact O-N 2.89Å; Y28-L31 VanDerWaalsContact O-N 3.13Å; Y28-V32 HydrophobicContact CD1-CG2 4.03Å; Y28-V32 HydrophobicContact CE1-CG2 3.65Å; Y28-V32 HydrophobicContact CE2-CG2 4.45Å; Y28-V32 WeakPolarHBondContact O-CG2 3.41Å; Y28-V32 PolarHBondContact O-N 3.44Å; Y28-E52 HydrophobicContact CE1-CG 4.36Å; Y28-I55 HydrophobicContact CE2-CG2 4.24Å
29	L	79.2	Confident	72.2	Confident	86 Å²	86	64.7 Å²	64.7	45%	0.45	34%	0.343	S	S	.	.	H	α-helix	trans	-63.1	-34.5	175.9	-72.2	168.7	0	0	0	112.2	Q25 S33	Q25-L29 WeakPolarHBondContact O-CB 3.33Å; Q25-L29 VanDerWaalsContact O-CG 3.3Å; Q25-L29 WeakPolarHBondContact O-CG 3.23Å; Q25-L29 PolarHBondContact O-N 3.48Å; L29-S33 WeakPolarHBondContact O-CB 3.31Å; L29-S33 PolarHBondContact O-N 3.48Å
30	S	80.6	Confident	73.9	Confident	50 Å²	50	66 Å²	66	35%	0.35	34%	0.342	S	S	.	.	H	α-helix	trans	-65.4	-40.4	172	-166.9	0	0	0	0	112.2	L26 E27 Y28 K34	L26-S30 WeakPolarHBondContact O-CB 3.5Å; L26-S30 PolarHBondContact O-N 3.19Å; E27-S30 WeakPolarHBondContact O-CB 3.45Å; E27-S30 PolarHBondContact O-N 3.33Å; Y28-S30 VanDerWaalsContact C-N 3.29Å; Y28-S30 PolarHBondContact O-N 2.75Å; S30-K34 WeakPolarHBondContact O-CG 3.45Å; S30-K34 PolarHBondContact O-N 3.34Å
31	L	84.5	Confident	75.3	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-63.8	-47.9	173.7	172.6	57.8	0	0	0	111.6	E27 Y28 S33 K34 V35 I55 L89 I90 M93	E27-L31 PolarHBondContact O-N 2.77Å; Y28-L31 WeakPolarHBondContact O-CB 3.23Å; Y28-L31 PolarHBondContact O-N 2.89Å; Y28-L31 VanDerWaalsContact O-N 3.13Å; L31-S33 VanDerWaalsContact C-N 3.32Å; L31-S33 PolarHBondContact O-N 3.02Å; L31-K34 PolarHBondContact O-N 3.41Å; L31-V35 HydrophobicContact CD1-CG2 3.82Å; L31-V35 HydrophobicContact CG-CG2 4.5Å; L31-V35 WeakPolarHBondContact O-CG2 3.44Å; L31-V35 PolarHBondContact O-N 3.3Å; L31-I55 HydrophobicContact CD2-CD1 4.38Å; L31-I55 HydrophobicContact CG-CD1 3.99Å; L31-L89 HydrophobicContact CD1-CD2 3.48Å; L31-L89 VanDerWaalsContact CD1-CD2 3.48Å; L31-I90 HydrophobicContact CD1-CG1 4.13Å; L31-I90 HydrophobicContact CD2-CG2 4.49Å; L31-M93 HydrophobicContact CB-CE 4.22Å; L31-M93 HydrophobicContact CD1-CB 3.93Å; L31-M93 HydrophobicContact CD1-CG 4.32Å
32	V	83.7	Confident	76.6	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.024	33%	0.329	C	S	.	.	H	α-helix	trans	-57.8	-44.9	176.6	173.9	0	0	0	0	111	Y28 K34 V35 C36 K48 A51 E52 I55	Y28-V32 HydrophobicContact CD1-CG2 4.03Å; Y28-V32 HydrophobicContact CE1-CG2 3.65Å; Y28-V32 HydrophobicContact CE2-CG2 4.45Å; Y28-V32 WeakPolarHBondContact O-CG2 3.41Å; Y28-V32 PolarHBondContact O-N 3.44Å; V32-K34 PolarHBondContact O-N 2.83Å; V32-V35 PolarHBondContact O-N 3.38Å; V32-C36 VanDerWaalsContact O-CB 3.24Å; V32-C36 WeakPolarHBondContact O-CB 3.43Å; V32-C36 PolarHBondContact O-N 3.49Å; V32-K48 HydrophobicContact CG1-CG 3.83Å; V32-A51 HydrophobicContact CG1-CB 4.22Å; V32-E52 HydrophobicContact CB-CG 4.38Å; V32-E52 HydrophobicContact CG1-CG 3.82Å; V32-E52 HydrophobicContact CG2-CG 3.55Å; V32-I55 HydrophobicContact CB-CD1 4.43Å; V32-I55 HydrophobicContact CG2-CD1 3.72Å
33	S	83.6	Confident	77.5	Confident	73 Å²	73	62.7 Å²	62.7	51%	0.51	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-41.9	176.3	174.9	0	0	0	0	112.6	L29 L31 T37	L29-S33 WeakPolarHBondContact O-CB 3.31Å; L29-S33 PolarHBondContact O-N 3.48Å; L31-S33 VanDerWaalsContact C-N 3.32Å; L31-S33 PolarHBondContact O-N 3.02Å; S33-T37 WeakPolarHBondContact O-CB 3.37Å; S33-T37 PolarHBondContact O-N 3.17Å; S33-T37 PolarHBondContact O-OG1 3.49Å
34	K	82	Confident	78.3	Confident	90 Å²	90	63.7 Å²	63.7	39%	0.391	34%	0.343	S	S	.	.	H	α-helix	trans	-69.8	-41.4	176.8	-70.8	177.4	-168.5	178.5	0	112.7	S30 L31 V32 T37 E38 L89 M93	S30-K34 WeakPolarHBondContact O-CG 3.45Å; S30-K34 PolarHBondContact O-N 3.34Å; L31-K34 PolarHBondContact O-N 3.41Å; V32-K34 PolarHBondContact O-N 2.83Å; K34-T37 WeakPolarHBondContact O-CB 3.44Å; K34-T37 PolarHBondContact O-N 3.03Å; K34-E38 PolarHBondContact O-N 2.74Å; K34-L89 HydrophobicContact CB-CD1 4.36Å; K34-L89 HydrophobicContact CB-CD2 4Å; K34-M93 HydrophobicContact CD-CE 3.9Å; K34-M93 HydrophobicContact CD-SD 4.08Å; K34-M93 PolarHBondContact NZ-SD 3.24Å
35	V	83.8	Confident	78.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-63.8	-42.5	175.9	169.8	0	0	0	0	110.9	L31 V32 T37 E38 L39 A51 I55 L86 L89 I90	L31-V35 HydrophobicContact CD1-CG2 3.82Å; L31-V35 HydrophobicContact CG-CG2 4.5Å; L31-V35 WeakPolarHBondContact O-CG2 3.44Å; L31-V35 PolarHBondContact O-N 3.3Å; V32-V35 PolarHBondContact O-N 3.38Å; V35-T37 VanDerWaalsContact C-N 3.32Å; V35-T37 PolarHBondContact O-N 3.07Å; V35-E38 PolarHBondContact O-N 3.38Å; V35-L39 HydrophobicContact CG1-CD1 4.04Å; V35-L39 VanDerWaalsContact O-CG 3.3Å; V35-L39 WeakPolarHBondContact O-CG 3.33Å; V35-L39 PolarHBondContact O-N 3.49Å; V35-A51 HydrophobicContact CB-CB 4.39Å; V35-A51 HydrophobicContact CG1-CB 3.95Å; V35-I55 HydrophobicContact CB-CD1 4.34Å; V35-I55 HydrophobicContact CG2-CD1 4.17Å; V35-I55 HydrophobicContact CG2-CG1 4.17Å; V35-L86 HydrophobicContact CG1-CD2 4.06Å; V35-L89 HydrophobicContact CG2-CD2 4.25Å; V35-I90 HydrophobicContact CG2-CD1 4.37Å; V35-I90 HydrophobicContact CG2-CG1 3.97Å
36	C	84.1	Confident	79	Confident	21 Å²	21	60.4 Å²	60.4	14%	0.142	34%	0.338	C	S	.	.	H	α-helix	trans	-59.9	-41.2	172.1	-173.9	0	0	0	0	111.8	V32 L39 D40 S46 A51	V32-C36 VanDerWaalsContact O-CB 3.24Å; V32-C36 WeakPolarHBondContact O-CB 3.43Å; V32-C36 PolarHBondContact O-N 3.49Å; C36-L39 PolarHBondContact O-N 3.12Å; C36-D40 WeakPolarHBondContact O-CB 3.3Å; C36-D40 PolarHBondContact O-N 3.11Å; C36-S46 VanDerWaalsContact SG-CA 3.56Å; C36-A51 HydrophobicContact CB-CB 3.99Å
37	T	83.6	Confident	79.6	Confident	69 Å²	69	59.4 Å²	59.4	42%	0.423	33%	0.334	S	S	.	.	H	α-helix	trans	-64.5	-41.1	176.9	-53.2	0	0	0	0	112.5	S33 K34 V35 D40 N41	S33-T37 WeakPolarHBondContact O-CB 3.37Å; S33-T37 PolarHBondContact O-N 3.17Å; S33-T37 PolarHBondContact O-OG1 3.49Å; K34-T37 WeakPolarHBondContact O-CB 3.44Å; K34-T37 PolarHBondContact O-N 3.03Å; V35-T37 VanDerWaalsContact C-N 3.32Å; V35-T37 PolarHBondContact O-N 3.07Å; T37-D40 PolarHBondContact O-N 2.61Å; T37-N41 WeakPolarHBondContact O-CB 3.39Å; T37-N41 PolarHBondContact O-N 3.47Å; T37-N41 PolarHBondContact O-ND2 2.92Å
38	E	81.6	Confident	80	Confident	53 Å²	53	60.3 Å²	60.3	25%	0.248	34%	0.336	C	S	.	.	H	α-helix	trans	-68.8	-35.3	175.9	-70.6	-64.9	136.7	0	0	112.4	K34 V35 H42 L86 L89	K34-E38 PolarHBondContact O-N 2.74Å; V35-E38 PolarHBondContact O-N 3.38Å; E38-H42 WeakPolarHBondContact O-CB 3.49Å; E38-H42 PolarHBondContact O-N 2.89Å; E38-L86 HydrophobicContact CB-CD2 3.99Å; E38-L89 HydrophobicContact CG-CD1 3.88Å
39	L	82	Confident	80.1	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-67.5	-41.8	172.5	-69.5	169.3	0	0	0	111.5	V35 C36 H42 L43 L50 A51 F78 L86	V35-L39 HydrophobicContact CG1-CD1 4.04Å; V35-L39 VanDerWaalsContact O-CG 3.3Å; V35-L39 WeakPolarHBondContact O-CG 3.33Å; V35-L39 PolarHBondContact O-N 3.49Å; C36-L39 PolarHBondContact O-N 3.12Å; L39-H42 PolarHBondContact O-N 3.39Å; L39-L43 HydrophobicContact CD2-CD1 3.92Å; L39-L43 WeakPolarHBondContact O-CA 3.34Å; L39-L43 VanDerWaalsContact O-CB 3.3Å; L39-L43 WeakPolarHBondContact O-CB 3.26Å; L39-L43 PolarHBondContact O-N 2.94Å; L39-L50 HydrophobicContact CD1-CG 4.47Å; L39-A51 HydrophobicContact CD1-CB 4.33Å; L39-F78 HydrophobicContact CD2-CE2 4.12Å; L39-F78 HydrophobicContact CD2-CZ 4.02Å; L39-L86 HydrophobicContact CD2-CD1 4.11Å
40	D	82	Confident	80.2	Confident	65 Å²	65	60.9 Å²	60.9	35%	0.348	34%	0.344	S	S	.	.	H	α-helix	trans	-65	-45.7	176.4	-160.7	59	0	0	0	111.5	C36 T37 H42 G44 S46	C36-D40 WeakPolarHBondContact O-CB 3.3Å; C36-D40 PolarHBondContact O-N 3.11Å; T37-D40 PolarHBondContact O-N 2.61Å; D40-H42 VanDerWaalsContact C-N 3.26Å; D40-H42 PolarHBondContact O-N 3.38Å; D40-G44 VanDerWaalsContact O-CA 3.28Å; D40-G44 WeakPolarHBondContact O-CA 3.38Å; D40-G44 PolarHBondContact O-N 3.2Å; D40-S46 VanDerWaalsContact OD1-CB 3.25Å; D40-S46 WeakPolarHBondContact OD1-CB 3.3Å; D40-S46 PolarHBondContact OD1-N 3.38Å; D40-S46 PolarHBondContact OD1-OG 2.98Å
41	N	81.4	Confident	80.2	Confident	110 Å²	110	58.5 Å²	58.5	59%	0.588	33%	0.327	S	S	*	.	H	α-helix	trans	-58.5	-32.3	176.2	-78.5	-27.6	0	0	0	114.1	T37	T37-N41 WeakPolarHBondContact O-CB 3.39Å; T37-N41 PolarHBondContact O-N 3.47Å; T37-N41 PolarHBondContact O-ND2 2.92Å
42	H	75.4	Confident	80.2	Confident	100 Å²	100	61 Å²	61	46%	0.463	34%	0.339	S	S	.	.	H	α-helix	trans	-106.4	-21.1	-174	-83.4	-70.4	0	0	0	115.3	E38 L39 D40 L82	E38-H42 WeakPolarHBondContact O-CB 3.49Å; E38-H42 PolarHBondContact O-N 2.89Å; L39-H42 PolarHBondContact O-N 3.39Å; D40-H42 VanDerWaalsContact C-N 3.26Å; D40-H42 PolarHBondContact O-N 3.38Å; H42-L82 HydrophobicContact CB-CD1 4.1Å; H42-L82 HydrophobicContact CB-CD2 3.92Å
43	L	75.3	Confident	80.2	Confident	76 Å²	76	65.3 Å²	65.3	40%	0.398	36%	0.358	S	S	.	.	H	α-helix	trans	-131	-13.2	-175	-55.7	170	0	0	0	113.4	L39 I45 F78 L82	L39-L43 HydrophobicContact CD2-CD1 3.92Å; L39-L43 WeakPolarHBondContact O-CA 3.34Å; L39-L43 VanDerWaalsContact O-CB 3.3Å; L39-L43 WeakPolarHBondContact O-CB 3.26Å; L39-L43 PolarHBondContact O-N 2.94Å; L43-I45 VanDerWaalsContact C-N 3.34Å; L43-I45 HydrophobicContact CB-CD1 4.22Å; L43-I45 HydrophobicContact CB-CG1 4.2Å; L43-F78 HydrophobicContact CD1-CD1 3.94Å; L43-F78 HydrophobicContact CD1-CE1 3.44Å; L43-F78 VanDerWaalsContact CD1-CE1 3.44Å; L43-F78 HydrophobicContact CD1-CZ 4.04Å; L43-L82 HydrophobicContact CD1-CD2 4.43Å; L43-L82 HydrophobicContact CG-CD2 4.46Å
44	G	74.9	Confident	80.2	Confident	58 Å²	58	62 Å²	62	60%	0.598	33%	0.334	S	S	*	.	S	Bend	trans	70.1	27.4	-172.8	0	0	0	0	0	113.9	D40	D40-G44 VanDerWaalsContact O-CA 3.28Å; D40-G44 WeakPolarHBondContact O-CA 3.38Å; D40-G44 PolarHBondContact O-N 3.2Å
45	I	74.6	Confident	80.3	Confident	77 Å²	77	57.7 Å²	57.7	40%	0.395	32%	0.316	S	S	.	.			trans	-120.8	101.2	-177.6	-55.6	174.5	0	0	0	109.9	L43 D47 L50	L43-I45 VanDerWaalsContact C-N 3.34Å; L43-I45 HydrophobicContact CB-CD1 4.22Å; L43-I45 HydrophobicContact CB-CG1 4.2Å; I45-D47 VanDerWaalsContact C-N 3.34Å; I45-D47 HydrophobicContact CG2-CB 3.98Å; I45-D47 PolarHBondContact O-N 3.35Å; I45-L50 HydrophobicContact CG2-CD2 3.86Å
46	S	70.6	Confident	80.2	Confident	85 Å²	85	59 Å²	59	59%	0.594	33%	0.325	S	S	*	.			trans	-94.5	45	178.6	16.2	0	0	0	0	112.7	C36 D40	C36-S46 VanDerWaalsContact SG-CA 3.56Å; D40-S46 VanDerWaalsContact OD1-CB 3.25Å; D40-S46 WeakPolarHBondContact OD1-CB 3.3Å; D40-S46 PolarHBondContact OD1-N 3.38Å; D40-S46 PolarHBondContact OD1-OG 2.98Å
47	D	77.9	Confident	80.1	Confident	78 Å²	78	58.4 Å²	58.4	42%	0.417	32%	0.32	S	S	.	.			trans	-90.8	123.3	179.5	-171.6	-14.1	0	0	0	112.1	I45 D49 L50 A51	I45-D47 VanDerWaalsContact C-N 3.34Å; I45-D47 HydrophobicContact CG2-CB 3.98Å; I45-D47 PolarHBondContact O-N 3.35Å; D47-D49 PolarHBondContact OD1-N 2.98Å; D47-L50 HydrophobicContact CB-CB 3.89Å; D47-A51 PolarHBondContact O-N 3.43Å
48	K	81.3	Confident	79.9	Confident	101 Å²	101	55.3 Å²	55.3	44%	0.439	30%	0.302	S	S	.	.	H	α-helix	trans	-71.3	-38.2	179.8	-176.5	177.3	173.5	-67.3	0	112.7	V32 L50 A51 E52	V32-K48 HydrophobicContact CG1-CG 3.83Å; K48-L50 VanDerWaalsContact C-N 3.34Å; K48-A51 PolarHBondContact O-N 2.83Å; K48-E52 WeakPolarHBondContact CE-OE1 3.29Å; K48-E52 IonicContact NZ-OE1 2.68Å; K48-E52 PolarHBondContact NZ-OE1 3.37Å; K48-E52 PolarHBondContact O-N 2.59Å
49	D	80.2	Confident	79.7	Confident	116 Å²	116	57.7 Å²	57.7	62%	0.62	31%	0.313	S	S	*	.	H	α-helix	trans	-73.7	-34	-176.7	-69.4	-2.5	0	0	0	109.9	D47 F53	D47-D49 PolarHBondContact OD1-N 2.98Å; D49-F53 WeakPolarHBondContact O-CB 3.45Å; D49-F53 PolarHBondContact O-N 3.4Å
50	L	79.9	Confident	79.6	Confident	51 Å²	51	63.6 Å²	63.6	27%	0.267	34%	0.338	S	S	.	.	H	α-helix	trans	-62.9	-44.2	168.7	-176.1	63.3	0	0	0	112	L39 I45 D47 K48 F53 V54	L39-L50 HydrophobicContact CD1-CG 4.47Å; I45-L50 HydrophobicContact CG2-CD2 3.86Å; D47-L50 HydrophobicContact CB-CB 3.89Å; K48-L50 VanDerWaalsContact C-N 3.34Å; L50-F53 PolarHBondContact O-N 2.88Å; L50-V54 HydrophobicContact CD1-CG2 4.47Å; L50-V54 VanDerWaalsContact O-CG2 3.31Å; L50-V54 WeakPolarHBondContact O-CG2 3.49Å; L50-V54 PolarHBondContact O-N 3.39Å
51	A	82.3	Confident	79.3	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.6	-44.8	177.5	0	0	0	0	0	112.1	V32 V35 C36 L39 D47 K48 V54 I55	V32-A51 HydrophobicContact CG1-CB 4.22Å; V35-A51 HydrophobicContact CB-CB 4.39Å; V35-A51 HydrophobicContact CG1-CB 3.95Å; C36-A51 HydrophobicContact CB-CB 3.99Å; L39-A51 HydrophobicContact CD1-CB 4.33Å; D47-A51 PolarHBondContact O-N 3.43Å; K48-A51 PolarHBondContact O-N 2.83Å; A51-V54 PolarHBondContact O-N 3.14Å; A51-I55 WeakPolarHBondContact O-CD1 3.2Å; A51-I55 VanDerWaalsContact O-CG1 3.3Å; A51-I55 WeakPolarHBondContact O-CG1 3.32Å; A51-I55 PolarHBondContact O-N 2.88Å
52	E	84.6	Confident	79	Confident	53 Å²	53	63.2 Å²	63.2	25%	0.248	34%	0.338	C	S	.	.	H	α-helix	trans	-65.5	-38.9	174.9	-72.9	-173.5	-149.9	0	0	112.5	Y28 V32 K48 I55 S56	Y28-E52 HydrophobicContact CE1-CG 4.36Å; V32-E52 HydrophobicContact CB-CG 4.38Å; V32-E52 HydrophobicContact CG1-CG 3.82Å; V32-E52 HydrophobicContact CG2-CG 3.55Å; K48-E52 WeakPolarHBondContact CE-OE1 3.29Å; K48-E52 IonicContact NZ-OE1 2.68Å; K48-E52 PolarHBondContact NZ-OE1 3.37Å; K48-E52 PolarHBondContact O-N 2.59Å; E52-I55 PolarHBondContact O-N 3.12Å; E52-S56 PolarHBondContact O-N 3.17Å
53	F	82.6	Confident	79.2	Confident	96 Å²	96	62.2 Å²	62.2	42%	0.421	34%	0.339	S	S	.	.	H	α-helix	trans	-62.1	-45.2	174.6	-177.5	-113.6	0	0	0	112.1	D49 L50 I55 S56 L57	D49-F53 WeakPolarHBondContact O-CB 3.45Å; D49-F53 PolarHBondContact O-N 3.4Å; L50-F53 PolarHBondContact O-N 2.88Å; F53-I55 VanDerWaalsContact C-N 3.35Å; F53-I55 PolarHBondContact O-N 3.14Å; F53-S56 WeakPolarHBondContact O-CB 3.37Å; F53-S56 PolarHBondContact O-N 3.19Å; F53-S56 VanDerWaalsContact O-N 3.13Å; F53-S56 PolarHBondContact O-OG 3.13Å; F53-L57 HydrophobicContact CD1-CD1 4.1Å; F53-L57 HydrophobicContact CE1-CD1 3.71Å; F53-L57 HydrophobicContact CE1-CG 4.34Å; F53-L57 HydrophobicContact CZ-CD1 4.12Å; F53-L57 HydrophobicContact CZ-CD2 4.28Å; F53-L57 HydrophobicContact CZ-CG 4.36Å; F53-L57 WeakPolarHBondContact O-CG 3.44Å; F53-L57 PolarHBondContact O-N 2.96Å; F53-L57 VanDerWaalsContact O-N 3.08Å
54	V	83	Confident	79.4	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.018	33%	0.334	C	S	.	.	H	α-helix	trans	-61.3	-41	176.5	169.3	0	0	0	0	111.5	L50 A51 L57 A58 F67 L71 F78	L50-V54 HydrophobicContact CD1-CG2 4.47Å; L50-V54 VanDerWaalsContact O-CG2 3.31Å; L50-V54 WeakPolarHBondContact O-CG2 3.49Å; L50-V54 PolarHBondContact O-N 3.39Å; A51-V54 PolarHBondContact O-N 3.14Å; V54-L57 PolarHBondContact O-N 3.47Å; V54-A58 PolarHBondContact O-N 3.05Å; V54-A58 VanDerWaalsContact O-N 3.14Å; V54-F67 HydrophobicContact CG1-CE2 4.49Å; V54-F67 HydrophobicContact CG1-CZ 3.97Å; V54-L71 HydrophobicContact CG2-CD2 4.44Å; V54-F78 HydrophobicContact CG2-CE2 4.4Å
55	I	85.1	Confident	79.7	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.1	-45.8	172.5	-67.8	160.5	0	0	0	110.5	Y28 L31 V32 V35 A51 E52 F53 L57 A58 E59 I90	Y28-I55 HydrophobicContact CE2-CG2 4.24Å; L31-I55 HydrophobicContact CD2-CD1 4.38Å; L31-I55 HydrophobicContact CG-CD1 3.99Å; V32-I55 HydrophobicContact CB-CD1 4.43Å; V32-I55 HydrophobicContact CG2-CD1 3.72Å; V35-I55 HydrophobicContact CB-CD1 4.34Å; V35-I55 HydrophobicContact CG2-CD1 4.17Å; V35-I55 HydrophobicContact CG2-CG1 4.17Å; A51-I55 WeakPolarHBondContact O-CD1 3.2Å; A51-I55 VanDerWaalsContact O-CG1 3.3Å; A51-I55 WeakPolarHBondContact O-CG1 3.32Å; A51-I55 PolarHBondContact O-N 2.88Å; E52-I55 PolarHBondContact O-N 3.12Å; F53-I55 VanDerWaalsContact C-N 3.35Å; F53-I55 PolarHBondContact O-N 3.14Å; I55-L57 PolarHBondContact O-N 3.35Å; I55-L57 VanDerWaalsContact O-N 3.17Å; I55-A58 PolarHBondContact O-N 3.41Å; I55-A58 VanDerWaalsContact O-N 3.12Å; I55-E59 PolarHBondContact O-N 3.31Å; I55-E59 VanDerWaalsContact O-N 3.07Å; I55-I90 HydrophobicContact CG1-CD1 4Å; I55-I90 HydrophobicContact CG1-CG1 4.11Å
56	S	82.1	Confident	79.9	Confident	28 Å²	28	61.7 Å²	61.7	20%	0.196	32%	0.324	C	S	.	.	H	α-helix	trans	-64.6	-18.3	177.7	92.2	0	0	0	0	114.6	E52 F53 K60	E52-S56 PolarHBondContact O-N 3.17Å; F53-S56 WeakPolarHBondContact O-CB 3.37Å; F53-S56 PolarHBondContact O-N 3.19Å; F53-S56 VanDerWaalsContact O-N 3.13Å; F53-S56 PolarHBondContact O-OG 3.13Å; S56-K60 VanDerWaalsContact O-CD 3.23Å; S56-K60 WeakPolarHBondContact O-CD 3.42Å; S56-K60 VanDerWaalsContact O-CE 3.29Å; S56-K60 WeakPolarHBondContact O-CE 3.45Å; S56-K60 WeakPolarHBondContact O-CG 3.25Å; S56-K60 PolarHBondContact O-NZ 3.08Å; S56-K60 VanDerWaalsContact O-NZ 3.09Å; S56-K60 PolarHBondContact OG-NZ 2.96Å
57	L	82	Confident	80.6	Confident	7 Å²	7	57.6 Å²	57.6	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-84.3	-38.5	173.4	-68.4	176.2	0	0	0	111.3	F53 V54 I55 E59 K60 Q61 F67 L71 N74	F53-L57 HydrophobicContact CD1-CD1 4.1Å; F53-L57 HydrophobicContact CE1-CD1 3.71Å; F53-L57 HydrophobicContact CE1-CG 4.34Å; F53-L57 HydrophobicContact CZ-CD1 4.12Å; F53-L57 HydrophobicContact CZ-CD2 4.28Å; F53-L57 HydrophobicContact CZ-CG 4.36Å; F53-L57 WeakPolarHBondContact O-CG 3.44Å; F53-L57 PolarHBondContact O-N 2.96Å; F53-L57 VanDerWaalsContact O-N 3.08Å; V54-L57 PolarHBondContact O-N 3.47Å; I55-L57 PolarHBondContact O-N 3.35Å; I55-L57 VanDerWaalsContact O-N 3.17Å; L57-E59 VanDerWaalsContact C-N 3.31Å; L57-E59 PolarHBondContact O-N 2.92Å; L57-K60 PolarHBondContact O-N 2.68Å; L57-Q61 PolarHBondContact O-N 3.38Å; L57-F67 HydrophobicContact CB-CD2 4.32Å; L57-F67 HydrophobicContact CB-CE2 4Å; L57-L71 HydrophobicContact CD1-CD2 4.04Å; L57-N74 WeakPolarHBondContact CD1-ND2 3.42Å
58	A	78.9	Confident	80.7	Confident	5 Å²	5	56.5 Å²	56.5	4%	0.041	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-35.2	174.8	0	0	0	0	0	112.2	V54 I55 K60 Q61 F67 L87 I90	V54-A58 PolarHBondContact O-N 3.05Å; V54-A58 VanDerWaalsContact O-N 3.14Å; I55-A58 PolarHBondContact O-N 3.41Å; I55-A58 VanDerWaalsContact O-N 3.12Å; A58-K60 VanDerWaalsContact C-N 3.31Å; A58-K60 PolarHBondContact O-N 2.92Å; A58-Q61 CarbonylContact O-C 3.29Å; A58-Q61 VanDerWaalsContact O-C 3.29Å; A58-F67 HydrophobicContact CB-CD2 4.03Å; A58-F67 HydrophobicContact CB-CE2 3.67Å; A58-F67 HydrophobicContact CB-CZ 4.04Å; A58-L87 HydrophobicContact CB-CD1 4.03Å; A58-I90 HydrophobicContact CB-CD1 3.8Å; A58-I90 HydrophobicContact CB-CG2 4.07Å
59	E	77.1	Confident	80.7	Confident	102 Å²	102	54.6 Å²	54.6	48%	0.477	29%	0.286	S	S	.	.	H	α-helix	trans	-59.3	-39.9	171.7	-71.9	178.6	-164.5	0	0	112.8	I55 L57 R94	I55-E59 PolarHBondContact O-N 3.31Å; I55-E59 VanDerWaalsContact O-N 3.07Å; L57-E59 VanDerWaalsContact C-N 3.31Å; L57-E59 PolarHBondContact O-N 2.92Å; E59-R94 VanDerWaalsContact CD-NH1 3.34Å; E59-R94 IonicContact OE1-CZ 3.6Å; E59-R94 IonicContact OE1-NH1 3.66Å; E59-R94 PolarHBondContact OE1-NH1 2.86Å; E59-R94 IonicContact OE1-NH2 2.6Å
60	K	79.4	Confident	80.6	Confident	124 Å²	124	51.3 Å²	51.3	54%	0.539	27%	0.268	S	S	.	.	H	α-helix	trans	-76	-26.5	-174.5	-70.6	165.4	-170.4	134.9	0	113	S56 L57 A58	S56-K60 VanDerWaalsContact O-CD 3.23Å; S56-K60 WeakPolarHBondContact O-CD 3.42Å; S56-K60 VanDerWaalsContact O-CE 3.29Å; S56-K60 WeakPolarHBondContact O-CE 3.45Å; S56-K60 WeakPolarHBondContact O-CG 3.25Å; S56-K60 PolarHBondContact O-NZ 3.08Å; S56-K60 VanDerWaalsContact O-NZ 3.09Å; S56-K60 PolarHBondContact OG-NZ 2.96Å; L57-K60 PolarHBondContact O-N 2.68Å; A58-K60 VanDerWaalsContact C-N 3.31Å; A58-K60 PolarHBondContact O-N 2.92Å
61	Q	77.4	Confident	80.6	Confident	88 Å²	88	49.1 Å²	49.1	41%	0.411	26%	0.257	S	S	.	.			trans	-145	97.7	174.3	-72.2	-63.2	-68.6	0	0	110.2	L57 A58 T63 L70	L57-Q61 PolarHBondContact O-N 3.38Å; A58-Q61 CarbonylContact O-C 3.29Å; A58-Q61 VanDerWaalsContact O-C 3.29Å; Q61-T63 PolarHBondContact O-N 3.39Å; Q61-L70 HydrophobicContact CB-CD1 3.93Å; Q61-L70 HydrophobicContact CG-CD1 3.54Å
62	P	74.2	Confident	80.4	Confident	80 Å²	80	53.2 Å²	53.2	52%	0.519	28%	0.278	S	S	.	.			trans	-77.6	4.8	-179.5	31.7	-36.4	0	0	0	114.1	Q91	P62-Q91 PolarHBondContact O-NE2 2.96Å
63	T	79.6	Confident	80.2	Confident	78 Å²	78	58.9 Å²	58.9	48%	0.479	30%	0.302	S	S	.	.	S	Bend	trans	-94.6	139.4	175.9	52.8	0	0	0	0	110.7	Q61 D65 G66 F67	Q61-T63 PolarHBondContact O-N 3.39Å; T63-D65 PolarHBondContact O-N 3.26Å; T63-G66 PolarHBondContact O-N 3.11Å; T63-G66 VanDerWaalsContact O-N 3.14Å; T63-F67 WeakPolarHBondContact O-CB 3.5Å; T63-F67 PolarHBondContact O-N 3.06Å
64	F	80.5	Confident	79.9	Confident	70 Å²	70	58.2 Å²	58.2	31%	0.307	30%	0.303	S	S	.	.	H	α-helix	trans	-53.6	-51.3	-176.6	176.6	-100	0	0	0	113	G66 F67 K68 D80 V83 L87	F64-G66 VanDerWaalsContact C-N 3.32Å; F64-G66 PolarHBondContact O-N 3.38Å; F64-F67 PolarHBondContact O-N 3.42Å; F64-K68 HydrophobicContact CE1-CD 4.4Å; F64-K68 VanDerWaalsContact O-CB 3.29Å; F64-K68 WeakPolarHBondContact O-CB 3.27Å; F64-K68 PolarHBondContact O-N 3.02Å; F64-D80 WeakPolarHBondContact CE2-O 3.12Å; F64-D80 HydrophobicContact CZ-CB 4.2Å; F64-V83 HydrophobicContact CD2-CG1 4.19Å; F64-V83 HydrophobicContact CE2-CB 4.09Å; F64-V83 HydrophobicContact CE2-CG1 3.88Å; F64-L87 HydrophobicContact CB-CD2 4.18Å
65	D	80.6	Confident	79.2	Confident	115 Å²	115	61.3 Å²	61.3	62%	0.615	34%	0.336	S	S	*	.	H	α-helix	trans	-66.6	-33.2	-179.6	-56.3	-53.2	0	0	0	112.7	T63 S69	T63-D65 PolarHBondContact O-N 3.26Å; D65-S69 WeakPolarHBondContact O-CB 3.35Å; D65-S69 PolarHBondContact O-N 3.4Å; D65-S69 PolarHBondContact O-OG 3.34Å
66	G	79.2	Confident	78.4	Confident	15 Å²	15	62.4 Å²	62.4	16%	0.155	34%	0.344	C	S	.	.	H	α-helix	trans	-69.9	-44.6	176.6	0	0	0	0	0	112.2	T63 F64 S69 L70	T63-G66 PolarHBondContact O-N 3.11Å; T63-G66 VanDerWaalsContact O-N 3.14Å; F64-G66 VanDerWaalsContact C-N 3.32Å; F64-G66 PolarHBondContact O-N 3.38Å; G66-S69 PolarHBondContact O-N 3.08Å; G66-L70 PolarHBondContact O-N 3.29Å
67	F	83.6	Confident	77.7	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-64.5	-47.7	175.3	-177.6	-129.3	0	0	0	111.5	V54 L57 A58 T63 F64 S69 L70 L71 V83 L86 L87	V54-F67 HydrophobicContact CG1-CE2 4.49Å; V54-F67 HydrophobicContact CG1-CZ 3.97Å; L57-F67 HydrophobicContact CB-CD2 4.32Å; L57-F67 HydrophobicContact CB-CE2 4Å; A58-F67 HydrophobicContact CB-CD2 4.03Å; A58-F67 HydrophobicContact CB-CE2 3.67Å; A58-F67 HydrophobicContact CB-CZ 4.04Å; T63-F67 WeakPolarHBondContact O-CB 3.5Å; T63-F67 PolarHBondContact O-N 3.06Å; F64-F67 PolarHBondContact O-N 3.42Å; F67-S69 VanDerWaalsContact C-N 3.32Å; F67-S69 PolarHBondContact O-N 3.07Å; F67-L70 PolarHBondContact O-N 3.38Å; F67-L70 VanDerWaalsContact O-N 3.11Å; F67-L71 HydrophobicContact CD1-CD1 4.04Å; F67-L71 HydrophobicContact CD2-CD1 4.31Å; F67-L71 HydrophobicContact CD2-CG 4.41Å; F67-L71 HydrophobicContact CE1-CD1 3.78Å; F67-L71 HydrophobicContact CE2-CD1 4.04Å; F67-L71 HydrophobicContact CE2-CD2 4.37Å; F67-L71 HydrophobicContact CE2-CG 4.2Å; F67-L71 HydrophobicContact CG-CD1 4.31Å; F67-L71 HydrophobicContact CZ-CD1 3.78Å; F67-L71 HydrophobicContact CZ-CG 4.39Å; F67-L71 WeakPolarHBondContact O-CG 3.42Å; F67-L71 PolarHBondContact O-N 3.48Å; F67-V83 HydrophobicContact CD1-CG1 3.64Å; F67-V83 HydrophobicContact CE1-CG1 4.02Å; F67-L86 HydrophobicContact CE1-CB 4.5Å; F67-L87 HydrophobicContact CB-CD2 4.41Å; F67-L87 HydrophobicContact CD1-CB 3.86Å; F67-L87 HydrophobicContact CD1-CD1 4.07Å; F67-L87 HydrophobicContact CD1-CD2 4.26Å; F67-L87 HydrophobicContact CD1-CG 4.29Å; F67-L87 HydrophobicContact CE1-CB 3.99Å; F67-L87 HydrophobicContact CE1-CD1 4.49Å; F67-L87 HydrophobicContact CG-CD1 4.28Å
68	K	81.5	Confident	77.5	Confident	55 Å²	55	70.5 Å²	70.5	24%	0.239	38%	0.378	C	S	.	.	H	α-helix	trans	-56.3	-44.9	173.8	-170.4	-178.3	-177.2	-177.6	0	111.7	F64 L70 L71 L72 D80 V83	F64-K68 HydrophobicContact CE1-CD 4.4Å; F64-K68 VanDerWaalsContact O-CB 3.29Å; F64-K68 WeakPolarHBondContact O-CB 3.27Å; F64-K68 PolarHBondContact O-N 3.02Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 2.86Å; K68-L71 PolarHBondContact O-N 3.1Å; K68-L72 HydrophobicContact CG-CD1 4.15Å; K68-L72 WeakPolarHBondContact O-CG 3.36Å; K68-L72 PolarHBondContact O-N 3.16Å; K68-D80 VanDerWaalsContact CE-OD1 3.22Å; K68-D80 WeakPolarHBondContact CE-OD1 3.42Å; K68-D80 IonicContact NZ-OD1 2.89Å; K68-D80 PolarHBondContact NZ-OD1 3.33Å; K68-D80 IonicContact NZ-OD2 2.77Å; K68-D80 PolarHBondContact NZ-OD2 3.31Å; K68-V83 HydrophobicContact CB-CG1 4.17Å
69	S	80.8	Confident	77.6	Confident	60 Å²	60	74 Å²	74	42%	0.42	40%	0.4	S	S	.	.	H	α-helix	trans	-65.8	-29	178	-63.1	0	0	0	0	113.6	D65 G66 F67 K73	D65-S69 WeakPolarHBondContact O-CB 3.35Å; D65-S69 PolarHBondContact O-N 3.4Å; D65-S69 PolarHBondContact O-OG 3.34Å; G66-S69 PolarHBondContact O-N 3.08Å; F67-S69 VanDerWaalsContact C-N 3.32Å; F67-S69 PolarHBondContact O-N 3.07Å; S69-K73 WeakPolarHBondContact O-CB 3.21Å; S69-K73 VanDerWaalsContact O-CG 3.25Å; S69-K73 WeakPolarHBondContact O-CG 3.37Å; S69-K73 PolarHBondContact O-N 3.03Å
70	L	77.6	Confident	77.6	Confident	47 Å²	47	73.2 Å²	73.2	25%	0.246	40%	0.399	C	S	.	.	H	α-helix	trans	-77.8	-41	174.6	-86.5	166.5	0	0	0	112.4	Q61 G66 F67 K68 K73 N74	Q61-L70 HydrophobicContact CB-CD1 3.93Å; Q61-L70 HydrophobicContact CG-CD1 3.54Å; G66-L70 PolarHBondContact O-N 3.29Å; F67-L70 PolarHBondContact O-N 3.38Å; F67-L70 VanDerWaalsContact O-N 3.11Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 2.86Å; L70-K73 PolarHBondContact O-N 3.19Å; L70-N74 VanDerWaalsContact O-CG 3.3Å; L70-N74 PolarHBondContact O-N 2.75Å; L70-N74 VanDerWaalsContact O-N 3.08Å; L70-N74 PolarHBondContact O-ND2 3.08Å
71	L	79.9	Confident	77.5	Confident	5 Å²	5	71 Å²	71	3%	0.026	40%	0.399	C	S	.	.	H	α-helix	trans	-60.3	-48.6	174.9	-71.1	168.3	0	0	0	111.1	V54 L57 F67 K68 K73 N74 G75 A76 F78 V83	V54-L71 HydrophobicContact CG2-CD2 4.44Å; L57-L71 HydrophobicContact CD1-CD2 4.04Å; F67-L71 HydrophobicContact CD1-CD1 4.04Å; F67-L71 HydrophobicContact CD2-CD1 4.31Å; F67-L71 HydrophobicContact CD2-CG 4.41Å; F67-L71 HydrophobicContact CE1-CD1 3.78Å; F67-L71 HydrophobicContact CE2-CD1 4.04Å; F67-L71 HydrophobicContact CE2-CD2 4.37Å; F67-L71 HydrophobicContact CE2-CG 4.2Å; F67-L71 HydrophobicContact CG-CD1 4.31Å; F67-L71 HydrophobicContact CZ-CD1 3.78Å; F67-L71 HydrophobicContact CZ-CG 4.39Å; F67-L71 WeakPolarHBondContact O-CG 3.42Å; F67-L71 PolarHBondContact O-N 3.48Å; K68-L71 PolarHBondContact O-N 3.1Å; L71-K73 PolarHBondContact O-N 3.07Å; L71-N74 CarbonylContact O-C 3.5Å; L71-N74 PolarHBondContact O-N 2.72Å; L71-G75 PolarHBondContact O-N 3.37Å; L71-A76 HydrophobicContact CB-CB 4.22Å; L71-A76 HydrophobicContact CD2-CB 4.32Å; L71-A76 PolarHBondContact O-N 3.47Å; L71-F78 HydrophobicContact CD1-CD2 3.98Å; L71-F78 HydrophobicContact CD2-CD2 4.21Å; L71-F78 HydrophobicContact CD2-CE2 3.97Å; L71-V83 HydrophobicContact CD1-CG1 4.1Å; L71-V83 HydrophobicContact CD1-CG2 3.97Å
72	L	79.6	Confident	77.7	Confident	86 Å²	86	66.9 Å²	66.9	45%	0.45	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-40.8	175.9	-71.3	169.1	0	0	0	112.7	K68 N74 G75 E77	K68-L72 HydrophobicContact CG-CD1 4.15Å; K68-L72 WeakPolarHBondContact O-CG 3.36Å; K68-L72 PolarHBondContact O-N 3.16Å; L72-N74 PolarHBondContact O-N 3.26Å; L72-G75 PolarHBondContact O-N 2.91Å; L72-G75 VanDerWaalsContact O-N 3.16Å; L72-E77 HydrophobicContact CD2-CG 4.25Å
73	K	80.3	Confident	78.1	Confident	172 Å²	172	63.1 Å²	63.1	75%	0.748	36%	0.355	S	S	*	.	H	α-helix	trans	-64.7	-26	175.2	-82.1	176.2	178.5	179.7	0	113.8	S69 L70 L71	S69-K73 WeakPolarHBondContact O-CB 3.21Å; S69-K73 VanDerWaalsContact O-CG 3.25Å; S69-K73 WeakPolarHBondContact O-CG 3.37Å; S69-K73 PolarHBondContact O-N 3.03Å; L70-K73 PolarHBondContact O-N 3.19Å; L71-K73 PolarHBondContact O-N 3.07Å
74	N	75.3	Confident	78.1	Confident	83 Å²	83	60.6 Å²	60.6	44%	0.444	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	11.6	177.5	-64.3	-21.8	0	0	0	112.7	L57 L70 L71 L72	L57-N74 WeakPolarHBondContact CD1-ND2 3.42Å; L70-N74 VanDerWaalsContact O-CG 3.3Å; L70-N74 PolarHBondContact O-N 2.75Å; L70-N74 VanDerWaalsContact O-N 3.08Å; L70-N74 PolarHBondContact O-ND2 3.08Å; L71-N74 CarbonylContact O-C 3.5Å; L71-N74 PolarHBondContact O-N 2.72Å; L72-N74 PolarHBondContact O-N 3.26Å
75	G	68.8	Low	78.2	Confident	68 Å²	68	61.1 Å²	61.1	70%	0.701	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	11.3	175.4	0	0	0	0	0	115.7	L71 L72	L71-G75 PolarHBondContact O-N 3.37Å; L72-G75 PolarHBondContact O-N 2.91Å; L72-G75 VanDerWaalsContact O-N 3.16Å
76	A	67.1	Low	78.4	Confident	22 Å²	22	55.6 Å²	55.6	18%	0.182	32%	0.321	C	S	.	.			trans	-96.9	96.3	-179.7	0	0	0	0	0	111.9	L71 F78	L71-A76 HydrophobicContact CB-CB 4.22Å; L71-A76 HydrophobicContact CD2-CB 4.32Å; L71-A76 PolarHBondContact O-N 3.47Å; A76-F78 VanDerWaalsContact C-N 3.3Å; A76-F78 HydrophobicContact CB-CD1 4.17Å; A76-F78 HydrophobicContact CB-CD2 4.44Å; A76-F78 HydrophobicContact CB-CE1 3.84Å; A76-F78 HydrophobicContact CB-CE2 4.14Å; A76-F78 HydrophobicContact CB-CG 4.45Å; A76-F78 HydrophobicContact CB-CZ 3.83Å; A76-F78 PolarHBondContact O-N 2.9Å
77	E	67.8	Low	78.6	Confident	176 Å²	176	55.3 Å²	55.3	82%	0.822	32%	0.316	S	S	*	.			trans	-79.8	73.5	171.7	-66.6	-165.1	157	0	0	111.5	L72	L72-E77 HydrophobicContact CD2-CG 4.25Å
78	F	79.3	Confident	78.5	Confident	29 Å²	29	63.8 Å²	63.8	13%	0.127	35%	0.348	C	S	.	.			trans	-87.1	145.9	173.9	-62	-13.5	0	0	0	111.4	L39 L43 V54 L71 A76 L82 V83 L86	L39-F78 HydrophobicContact CD2-CE2 4.12Å; L39-F78 HydrophobicContact CD2-CZ 4.02Å; L43-F78 HydrophobicContact CD1-CD1 3.94Å; L43-F78 HydrophobicContact CD1-CE1 3.44Å; L43-F78 VanDerWaalsContact CD1-CE1 3.44Å; L43-F78 HydrophobicContact CD1-CZ 4.04Å; V54-F78 HydrophobicContact CG2-CE2 4.4Å; L71-F78 HydrophobicContact CD1-CD2 3.98Å; L71-F78 HydrophobicContact CD2-CD2 4.21Å; L71-F78 HydrophobicContact CD2-CE2 3.97Å; A76-F78 VanDerWaalsContact C-N 3.3Å; A76-F78 HydrophobicContact CB-CD1 4.17Å; A76-F78 HydrophobicContact CB-CD2 4.44Å; A76-F78 HydrophobicContact CB-CE1 3.84Å; A76-F78 HydrophobicContact CB-CE2 4.14Å; A76-F78 HydrophobicContact CB-CG 4.45Å; A76-F78 HydrophobicContact CB-CZ 3.83Å; A76-F78 PolarHBondContact O-N 2.9Å; F78-L82 HydrophobicContact CB-CD2 4.22Å; F78-L82 HydrophobicContact CG-CD2 4.24Å; F78-V83 HydrophobicContact CB-CG2 3.62Å; F78-L86 HydrophobicContact CD2-CD1 4.34Å; F78-L86 HydrophobicContact CE2-CD1 4.47Å
79	T	80.1	Confident	78.5	Confident	80 Å²	80	62.7 Å²	62.7	49%	0.491	35%	0.345	S	S	.	.			trans	-68.1	145.8	176.7	55.5	0	0	0	0	111.6	S81 L82 V83	T79-S81 PolarHBondContact O-N 2.86Å; T79-S81 VanDerWaalsContact O-N 3.11Å; T79-S81 PolarHBondContact OG1-OG 2.86Å; T79-L82 WeakPolarHBondContact O-CA 3.49Å; T79-L82 WeakPolarHBondContact O-CB 2.97Å; T79-L82 PolarHBondContact O-N 3.43Å; T79-L82 WeakPolarHBondContact OG1-CB 3.31Å; T79-V83 WeakPolarHBondContact O-CG2 3.41Å; T79-V83 PolarHBondContact O-N 2.92Å
80	D	76.6	Confident	78.7	Confident	84 Å²	84	60.4 Å²	60.4	45%	0.449	33%	0.328	S	S	.	.	H	α-helix	trans	-54	-34.2	-178.7	-74.3	45	0	0	0	113.7	F64 K68 G84	F64-D80 WeakPolarHBondContact CE2-O 3.12Å; F64-D80 HydrophobicContact CZ-CB 4.2Å; K68-D80 VanDerWaalsContact CE-OD1 3.22Å; K68-D80 WeakPolarHBondContact CE-OD1 3.42Å; K68-D80 IonicContact NZ-OD1 2.89Å; K68-D80 PolarHBondContact NZ-OD1 3.33Å; K68-D80 IonicContact NZ-OD2 2.77Å; K68-D80 PolarHBondContact NZ-OD2 3.31Å; D80-G84 PolarHBondContact O-N 2.87Å
81	S	78.8	Confident	78.7	Confident	78 Å²	78	63 Å²	63	55%	0.545	34%	0.339	S	S	.	.	H	α-helix	trans	-67.9	-42.3	173.4	48.3	0	0	0	0	112.8	T79 G84 N85	T79-S81 PolarHBondContact O-N 2.86Å; T79-S81 VanDerWaalsContact O-N 3.11Å; T79-S81 PolarHBondContact OG1-OG 2.86Å; S81-G84 PolarHBondContact O-N 2.98Å; S81-N85 WeakPolarHBondContact O-CB 3.06Å; S81-N85 VanDerWaalsContact O-CG 3.31Å; S81-N85 PolarHBondContact O-N 3.39Å
82	L	81.6	Confident	78.5	Confident	2 Å²	2	67.8 Å²	67.8	1%	0.01	37%	0.368	C	S	.	.	H	α-helix	trans	-66.5	-45.7	175.9	179.5	60.2	0	0	0	111.1	H42 L43 F78 T79 G84 N85 L86	H42-L82 HydrophobicContact CB-CD1 4.1Å; H42-L82 HydrophobicContact CB-CD2 3.92Å; L43-L82 HydrophobicContact CD1-CD2 4.43Å; L43-L82 HydrophobicContact CG-CD2 4.46Å; F78-L82 HydrophobicContact CB-CD2 4.22Å; F78-L82 HydrophobicContact CG-CD2 4.24Å; T79-L82 WeakPolarHBondContact O-CA 3.49Å; T79-L82 WeakPolarHBondContact O-CB 2.97Å; T79-L82 PolarHBondContact O-N 3.43Å; T79-L82 WeakPolarHBondContact OG1-CB 3.31Å; L82-G84 VanDerWaalsContact C-N 3.28Å; L82-G84 PolarHBondContact O-N 3.22Å; L82-N85 PolarHBondContact O-N 2.77Å; L82-L86 HydrophobicContact CD1-CD1 3.96Å; L82-L86 HydrophobicContact CD1-CG 3.96Å; L82-L86 HydrophobicContact CG-CD1 3.89Å; L82-L86 HydrophobicContact CG-CG 4.32Å; L82-L86 WeakPolarHBondContact O-CB 3.25Å; L82-L86 VanDerWaalsContact O-CG 3.29Å; L82-L86 WeakPolarHBondContact O-CG 3.26Å; L82-L86 PolarHBondContact O-N 3.17Å
83	V	81.9	Confident	78.1	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.006	36%	0.359	C	S	.	.	H	α-helix	trans	-58.6	-41.7	175.8	178.7	0	0	0	0	111	F64 F67 K68 L71 F78 T79 L87	F64-V83 HydrophobicContact CD2-CG1 4.19Å; F64-V83 HydrophobicContact CE2-CB 4.09Å; F64-V83 HydrophobicContact CE2-CG1 3.88Å; F67-V83 HydrophobicContact CD1-CG1 3.64Å; F67-V83 HydrophobicContact CE1-CG1 4.02Å; K68-V83 HydrophobicContact CB-CG1 4.17Å; L71-V83 HydrophobicContact CD1-CG1 4.1Å; L71-V83 HydrophobicContact CD1-CG2 3.97Å; F78-V83 HydrophobicContact CB-CG2 3.62Å; T79-V83 WeakPolarHBondContact O-CG2 3.41Å; T79-V83 PolarHBondContact O-N 2.92Å; V83-L87 WeakPolarHBondContact O-CB 3.48Å; V83-L87 PolarHBondContact O-N 3.43Å
84	G	79.6	Confident	77.4	Confident	25 Å²	25	63.5 Å²	63.5	26%	0.258	34%	0.344	S	S	.	.	H	α-helix	trans	-67.4	-43.1	177.7	0	0	0	0	0	112.9	D80 S81 L82 R88	D80-G84 PolarHBondContact O-N 2.87Å; S81-G84 PolarHBondContact O-N 2.98Å; L82-G84 VanDerWaalsContact C-N 3.28Å; L82-G84 PolarHBondContact O-N 3.22Å; G84-R88 WeakPolarHBondContact O-CB 3.31Å; G84-R88 PolarHBondContact O-N 2.96Å
85	N	82.6	Confident	76.5	Confident	80 Å²	80	63.4 Å²	63.4	43%	0.428	35%	0.348	S	S	.	.	H	α-helix	trans	-64.8	-47.8	176.2	-77.7	-6.5	0	0	0	111.7	S81 L82 R88 L89	S81-N85 WeakPolarHBondContact O-CB 3.06Å; S81-N85 VanDerWaalsContact O-CG 3.31Å; S81-N85 PolarHBondContact O-N 3.39Å; L82-N85 PolarHBondContact O-N 2.77Å; N85-R88 PolarHBondContact O-N 3.29Å; N85-L89 VanDerWaalsContact O-CB 3.28Å; N85-L89 WeakPolarHBondContact O-CB 3.23Å; N85-L89 PolarHBondContact O-N 3.41Å
86	L	83.6	Confident	75.4	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-59.8	-49.7	178.4	-71.9	173.3	0	0	0	111.5	V35 E38 L39 F67 F78 L82 R88 L89 I90	V35-L86 HydrophobicContact CG1-CD2 4.06Å; E38-L86 HydrophobicContact CB-CD2 3.99Å; L39-L86 HydrophobicContact CD2-CD1 4.11Å; F67-L86 HydrophobicContact CE1-CB 4.5Å; F78-L86 HydrophobicContact CD2-CD1 4.34Å; F78-L86 HydrophobicContact CE2-CD1 4.47Å; L82-L86 HydrophobicContact CD1-CD1 3.96Å; L82-L86 HydrophobicContact CD1-CG 3.96Å; L82-L86 HydrophobicContact CG-CD1 3.89Å; L82-L86 HydrophobicContact CG-CG 4.32Å; L82-L86 WeakPolarHBondContact O-CB 3.25Å; L82-L86 VanDerWaalsContact O-CG 3.29Å; L82-L86 WeakPolarHBondContact O-CG 3.26Å; L82-L86 PolarHBondContact O-N 3.17Å; L86-R88 VanDerWaalsContact C-N 3.33Å; L86-R88 PolarHBondContact O-N 2.87Å; L86-L89 PolarHBondContact O-N 2.86Å; L86-I90 WeakPolarHBondContact O-CB 3.35Å; L86-I90 WeakPolarHBondContact O-CD1 3.3Å; L86-I90 VanDerWaalsContact O-CG1 3.24Å; L86-I90 WeakPolarHBondContact O-CG1 3.22Å; L86-I90 PolarHBondContact O-N 3.28Å
87	L	83.3	Confident	74.2	Confident	9 Å²	9	70.5 Å²	70.5	5%	0.047	38%	0.38	C	S	.	.	H	α-helix	trans	-60.9	-42.6	178.6	-175.1	61.3	0	0	0	111.6	A58 F64 F67 V83 Q91	A58-L87 HydrophobicContact CB-CD1 4.03Å; F64-L87 HydrophobicContact CB-CD2 4.18Å; F67-L87 HydrophobicContact CB-CD2 4.41Å; F67-L87 HydrophobicContact CD1-CB 3.86Å; F67-L87 HydrophobicContact CD1-CD1 4.07Å; F67-L87 HydrophobicContact CD1-CD2 4.26Å; F67-L87 HydrophobicContact CD1-CG 4.29Å; F67-L87 HydrophobicContact CE1-CB 3.99Å; F67-L87 HydrophobicContact CE1-CD1 4.49Å; F67-L87 HydrophobicContact CG-CD1 4.28Å; V83-L87 WeakPolarHBondContact O-CB 3.48Å; V83-L87 PolarHBondContact O-N 3.43Å; L87-Q91 HydrophobicContact CD1-CG 4.45Å; L87-Q91 WeakPolarHBondContact O-CB 3.32Å; L87-Q91 VanDerWaalsContact O-CG 3.26Å; L87-Q91 WeakPolarHBondContact O-CG 3.28Å; L87-Q91 PolarHBondContact O-N 3.35Å
88	R	81.9	Confident	72.7	Confident	177 Å²	177	70.6 Å²	70.6	67%	0.668	38%	0.377	S	S	*	.	H	α-helix	trans	-64.4	-43.1	176.4	-176.9	179.2	-178.1	174.9	1.3	112.2	G84 N85 L86 Q91 T92	G84-R88 WeakPolarHBondContact O-CB 3.31Å; G84-R88 PolarHBondContact O-N 2.96Å; N85-R88 PolarHBondContact O-N 3.29Å; L86-R88 VanDerWaalsContact C-N 3.33Å; L86-R88 PolarHBondContact O-N 2.87Å; R88-Q91 PolarHBondContact O-N 2.89Å; R88-T92 HydrophobicContact CG-CG2 4.31Å; R88-T92 WeakPolarHBondContact O-CB 3.43Å; R88-T92 VanDerWaalsContact O-CG2 3.31Å; R88-T92 WeakPolarHBondContact O-CG2 3.47Å; R88-T92 PolarHBondContact O-N 3.08Å; R88-T92 PolarHBondContact O-OG1 3.02Å
89	L	82.3	Confident	70.5	Confident	32 Å²	32	73.8 Å²	73.8	17%	0.168	41%	0.409	C	S	.	.	H	α-helix	trans	-62.5	-47.6	179.6	-162.9	160.9	0	0	0	109.8	L31 K34 V35 E38 N85 L86 Q91 T92 M93	L31-L89 HydrophobicContact CD1-CD2 3.48Å; L31-L89 VanDerWaalsContact CD1-CD2 3.48Å; K34-L89 HydrophobicContact CB-CD1 4.36Å; K34-L89 HydrophobicContact CB-CD2 4Å; V35-L89 HydrophobicContact CG2-CD2 4.25Å; E38-L89 HydrophobicContact CG-CD1 3.88Å; N85-L89 VanDerWaalsContact O-CB 3.28Å; N85-L89 WeakPolarHBondContact O-CB 3.23Å; N85-L89 PolarHBondContact O-N 3.41Å; L86-L89 PolarHBondContact O-N 2.86Å; L89-Q91 PolarHBondContact O-N 2.85Å; L89-T92 PolarHBondContact O-N 2.99Å; L89-T92 PolarHBondContact O-OG1 3.32Å; L89-T92 VanDerWaalsContact O-OG1 3.1Å; L89-M93 HydrophobicContact CD2-CG 3.98Å; L89-M93 VanDerWaalsContact O-CB 3.29Å; L89-M93 WeakPolarHBondContact O-CB 3.38Å; L89-M93 WeakPolarHBondContact O-CG 3.38Å; L89-M93 PolarHBondContact O-N 3.42Å; L89-M93 VanDerWaalsContact O-N 3.1Å
90	I	83.8	Confident	68.3	Low	12 Å²	12	76.2 Å²	76.2	6%	0.062	43%	0.43	C	S	.	.	H	α-helix	trans	-59.9	-42.9	175.9	-65.2	163	0	0	0	111.8	L31 V35 I55 A58 L86	L31-I90 HydrophobicContact CD1-CG1 4.13Å; L31-I90 HydrophobicContact CD2-CG2 4.49Å; V35-I90 HydrophobicContact CG2-CD1 4.37Å; V35-I90 HydrophobicContact CG2-CG1 3.97Å; I55-I90 HydrophobicContact CG1-CD1 4Å; I55-I90 HydrophobicContact CG1-CG1 4.11Å; A58-I90 HydrophobicContact CB-CD1 3.8Å; A58-I90 HydrophobicContact CB-CG2 4.07Å; L86-I90 WeakPolarHBondContact O-CB 3.35Å; L86-I90 WeakPolarHBondContact O-CD1 3.3Å; L86-I90 VanDerWaalsContact O-CG1 3.24Å; L86-I90 WeakPolarHBondContact O-CG1 3.22Å; L86-I90 PolarHBondContact O-N 3.28Å
91	Q	79.1	Confident	66.1	Low	103 Å²	103	78 Å²	78	48%	0.481	45%	0.449	S	S	.	.	H	α-helix	trans	-72.4	-30.4	179.6	-73.9	177.6	-1.1	0	0	114.3	P62 L87 R88 L89	P62-Q91 PolarHBondContact O-NE2 2.96Å; L87-Q91 HydrophobicContact CD1-CG 4.45Å; L87-Q91 WeakPolarHBondContact O-CB 3.32Å; L87-Q91 VanDerWaalsContact O-CG 3.26Å; L87-Q91 WeakPolarHBondContact O-CG 3.28Å; L87-Q91 PolarHBondContact O-N 3.35Å; R88-Q91 PolarHBondContact O-N 2.89Å; L89-Q91 PolarHBondContact O-N 2.85Å
92	T	76.1	Confident	63.7	Low	104 Å²	104	79.2 Å²	79.2	64%	0.638	46%	0.457	S	S	*	.	H	α-helix	trans	-82.2	-25.7	178.7	52.9	0	0	0	0	113.7	R88 L89	R88-T92 HydrophobicContact CG-CG2 4.31Å; R88-T92 WeakPolarHBondContact O-CB 3.43Å; R88-T92 VanDerWaalsContact O-CG2 3.31Å; R88-T92 WeakPolarHBondContact O-CG2 3.47Å; R88-T92 PolarHBondContact O-N 3.08Å; R88-T92 PolarHBondContact O-OG1 3.02Å; L89-T92 PolarHBondContact O-N 2.99Å; L89-T92 PolarHBondContact O-OG1 3.32Å; L89-T92 VanDerWaalsContact O-OG1 3.1Å
93	M	69.4	Low	61.3	Low	52 Å²	52	88.9 Å²	88.9	26%	0.256	50%	0.499	S	S	.	.	S	Bend	trans	-93.8	-2.2	-173.8	-77.5	-83.9	-55.7	0	0	114.6	L31 K34 L89	L31-M93 HydrophobicContact CB-CE 4.22Å; L31-M93 HydrophobicContact CD1-CB 3.93Å; L31-M93 HydrophobicContact CD1-CG 4.32Å; K34-M93 HydrophobicContact CD-CE 3.9Å; K34-M93 HydrophobicContact CD-SD 4.08Å; K34-M93 PolarHBondContact NZ-SD 3.24Å; L89-M93 HydrophobicContact CD2-CG 3.98Å; L89-M93 VanDerWaalsContact O-CB 3.29Å; L89-M93 WeakPolarHBondContact O-CB 3.38Å; L89-M93 WeakPolarHBondContact O-CG 3.38Å; L89-M93 PolarHBondContact O-N 3.42Å; L89-M93 VanDerWaalsContact O-N 3.1Å
94	R	66.8	Low	59.1	Low	117 Å²	117	93.2 Å²	93.2	44%	0.442	54%	0.535	S	S	.	.	S	Bend	trans	-131.5	130.9	-176.3	-161.1	-176.8	-168.2	177.6	8.5	112.7	E59	E59-R94 VanDerWaalsContact CD-NH1 3.34Å; E59-R94 IonicContact OE1-CZ 3.6Å; E59-R94 IonicContact OE1-NH1 3.66Å; E59-R94 PolarHBondContact OE1-NH1 2.86Å; E59-R94 IonicContact OE1-NH2 2.6Å
95	P	55.8	Low	56.6	Low	80 Å²	80	102.2 Å²	102.2	52%	0.519	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-70.2	153.2	174.4	29.4	-35	0	0	0	112.1
96	P	46.1	Very low	53.9	Low	113 Å²	113	106.9 Å²	106.9	73%	0.734	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-69.5	145.3	175.3	29.5	-34.9	0	0	0	111.4	K98	P96-K98 PolarHBondContact O-N 3.49Å
97	P	41.3	Very low	52.2	Low	127 Å²	127	112.3 Å²	112.3	83%	0.825	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-65	132.4	-176.8	25.9	-34.2	0	0	0	112.1	A99	P97-A99 PolarHBondContact O-N 3.01Å
98	K	37.3	Very low	49.6	Very low	177 Å²	177	118.7 Å²	118.7	77%	0.77	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-62.4	127	174.7	-68.3	164.3	-176.1	152.2	0	109.6	P96 S100	P96-K98 PolarHBondContact O-N 3.49Å; K98-S100 PolarHBondContact O-N 2.79Å
99	A	33.2	Very low	47.7	Very low	96 Å²	96	116.4 Å²	116.4	79%	0.793	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-63	128.8	176.1	0	0	0	0	0	110.9	P97 S101	P97-A99 PolarHBondContact O-N 3.01Å; A99-S101 PolarHBondContact O-N 2.87Å; A99-S101 VanDerWaalsContact O-N 3.14Å
100	S	34	Very low	45.3	Very low	132 Å²	132	124.6 Å²	124.6	92%	0.923	70%	0.7	S	S	*	*			trans	-71.7	106.6	-176.2	43.7	0	0	0	0	111.7	K98	K98-S100 PolarHBondContact O-N 2.79Å
101	S	29.7	Very low	43.1	Very low	121 Å²	121	133.1 Å²	133.1	85%	0.846	74%	0.74	S	S	*	*			trans	-102.2	133.2	168.9	48.9	0	0	0	0	109.8	A99	A99-S101 PolarHBondContact O-N 2.87Å; A99-S101 VanDerWaalsContact O-N 3.14Å
102	S	29.4	Very low	41.2	Very low	103 Å²	103	134 Å²	134	72%	0.72	74%	0.742	S	S	*	*			trans	-118.6	156.1	-177.4	64.9	0	0	0	0	111.2
103	K	30.7	Very low	39.8	Very low	206 Å²	206	131.7 Å²	131.7	90%	0.896	73%	0.731	S	S	*	*			trans	80.6	123	174.6	-56.2	179.5	178.5	177.8	0	116.6
104	A	34.3	Very low	38.7	Very low	92 Å²	92	134.2 Å²	134.2	76%	0.76	75%	0.745	S	S	*	*			trans	-61.5	163.7	178.9	0	0	0	0	0	115.7
105	F	27.3	Very low	37.7	Very low	214 Å²	214	136.9 Å²	136.9	94%	0.939	76%	0.76	S	S	*	*			trans	-153	161.9	131.6	-122.3	-81.7	0	0	0	111.4
106	E	27.5	Very low	37.6	Very low	177 Å²	177	136 Å²	136	83%	0.827	75%	0.751	S	S	*	*			trans	-84	169.6	-174.1	-99.2	-165.8	145.7	0	0	115
107	P	46.8	Very low	37.9	Very low	114 Å²	114	135.2 Å²	135.2	74%	0.74	74%	0.736	S	S	*	*			trans	-92.8	156.5	-154.8	36	-37.8	0	0	0	116.3
108	V	28.8	Very low	38.2	Very low	143 Å²	143	134.4 Å²	134.4	87%	0.867	72%	0.724	S	S	*	*			trans	-135.3	131.9	161.6	-179	0	0	0	0	110.1
109	V	42.1	Very low	39	Very low	130 Å²	130	132.1 Å²	132.1	79%	0.788	71%	0.714	S	S	*	*			trans	-77.4	139.7	-177.8	176.8	0	0	0	0	112
110	K	31.3	Very low	39.8	Very low	203 Å²	203	133.5 Å²	133.5	88%	0.883	70%	0.704	S	S	*	*			trans	-122	148.8	154.2	-80.9	-174.5	175.8	177	0	110.3
111	Q	38.4	Very low	40.5	Very low	191 Å²	191	133 Å²	133	89%	0.893	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-71.8	131.9	-169.4	-66.1	166.8	-29.3	0	0	111.7
112	K	38.8	Very low	41.2	Very low	122 Å²	122	133.1 Å²	133.1	53%	0.53	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-58.9	139.3	167.7	-80.9	-174.2	176.8	177.9	0	110.1	D116 E120	K112-D116 HydrophobicContact CB-CB 4.36Å; K112-D116 HydrophobicContact CD-CB 4.49Å; K112-E120 IonicContact NZ-OE1 2.64Å; K112-E120 PolarHBondContact NZ-OE1 3.43Å; K112-E120 IonicContact NZ-OE2 3.64Å
113	S	47.3	Very low	41.9	Very low	56 Å²	56	132.5 Å²	132.5	39%	0.392	67%	0.669	S	S	.	*	P	Polyproline II helix	trans	-76.2	159.7	175.4	79.3	0	0	0	0	111.1	K115 D116 K117	S113-K115 PolarHBondContact O-N 2.92Å; S113-K115 PolarHBondContact OG-N 3.43Å; S113-D116 WeakPolarHBondContact CA-OD2 3.28Å; S113-D116 VanDerWaalsContact CB-OD2 3.32Å; S113-D116 WeakPolarHBondContact CB-OD2 3.26Å; S113-D116 PolarHBondContact N-OD2 3.22Å; S113-D116 WeakPolarHBondContact O-CB 3.45Å; S113-D116 PolarHBondContact O-N 3.14Å; S113-D116 PolarHBondContact OG-OD2 3.03Å; S113-K117 PolarHBondContact O-N 3.2Å
114	D	46.8	Very low	42.6	Very low	105 Å²	105	126.9 Å²	126.9	56%	0.561	66%	0.662	S	S	*	*	H	α-helix	trans	-66.5	-18.6	176.8	-62.7	-48.4	0	0	0	112.9	D116 K117 L118	D114-D116 VanDerWaalsContact C-N 3.32Å; D114-K117 PolarHBondContact O-N 3.02Å; D114-K117 WeakPolarHBondContact OD1-CD 3.26Å; D114-K117 WeakPolarHBondContact OD1-CE 3.42Å; D114-K117 IonicContact OD1-NZ 2.68Å; D114-K117 PolarHBondContact OD1-NZ 3.25Å; D114-L118 VanDerWaalsContact O-CD1 3.24Å; D114-L118 WeakPolarHBondContact O-CD1 3.37Å; D114-L118 PolarHBondContact O-N 3.4Å
115	K	45	Very low	42.9	Very low	172 Å²	172	129.6 Å²	129.6	75%	0.748	66%	0.662	S	S	*	*	H	α-helix	trans	-66.6	-33.4	169	-78.9	-172	172.3	-175.5	0	112.6	S113 L118 K119	S113-K115 PolarHBondContact O-N 2.92Å; S113-K115 PolarHBondContact OG-N 3.43Å; K115-L118 PolarHBondContact O-N 3.47Å; K115-K119 PolarHBondContact O-N 3.06Å
116	D	54.5	Low	43.5	Very low	63 Å²	63	123.4 Å²	123.4	34%	0.337	64%	0.644	S	S	.	*	H	α-helix	trans	-72.8	-37.6	178.5	-52.1	-55.4	0	0	0	110.4	K112 S113 D114 K119 E120	K112-D116 HydrophobicContact CB-CB 4.36Å; K112-D116 HydrophobicContact CD-CB 4.49Å; S113-D116 WeakPolarHBondContact CA-OD2 3.28Å; S113-D116 VanDerWaalsContact CB-OD2 3.32Å; S113-D116 WeakPolarHBondContact CB-OD2 3.26Å; S113-D116 PolarHBondContact N-OD2 3.22Å; S113-D116 WeakPolarHBondContact O-CB 3.45Å; S113-D116 PolarHBondContact O-N 3.14Å; S113-D116 PolarHBondContact OG-OD2 3.03Å; D114-D116 VanDerWaalsContact C-N 3.32Å; D116-K119 WeakPolarHBondContact O-CB 3.44Å; D116-K119 PolarHBondContact O-N 2.94Å; D116-E120 PolarHBondContact O-N 2.83Å
117	K	50.8	Low	44.3	Very low	96 Å²	96	125.1 Å²	125.1	42%	0.417	64%	0.643	S	S	.	*	H	α-helix	trans	-63.2	-41.5	171.2	-57.9	176	-165.6	160.2	0	112	S113 D114 K119 E120 L121	S113-K117 PolarHBondContact O-N 3.2Å; D114-K117 PolarHBondContact O-N 3.02Å; D114-K117 WeakPolarHBondContact OD1-CD 3.26Å; D114-K117 WeakPolarHBondContact OD1-CE 3.42Å; D114-K117 IonicContact OD1-NZ 2.68Å; D114-K117 PolarHBondContact OD1-NZ 3.25Å; K117-K119 VanDerWaalsContact C-N 3.34Å; K117-E120 PolarHBondContact O-N 3.2Å; K117-L121 WeakPolarHBondContact O-CB 3.31Å; K117-L121 PolarHBondContact O-N 2.82Å
118	L	49.3	Very low	44	Very low	110 Å²	110	125.3 Å²	125.3	58%	0.576	65%	0.645	S	S	*	*	H	α-helix	trans	-65.8	-34.2	174.7	-97	82	0	0	0	112.7	D114 K115 L121 F122	D114-L118 VanDerWaalsContact O-CD1 3.24Å; D114-L118 WeakPolarHBondContact O-CD1 3.37Å; D114-L118 PolarHBondContact O-N 3.4Å; K115-L118 PolarHBondContact O-N 3.47Å; L118-L121 PolarHBondContact O-N 3.16Å; L118-F122 PolarHBondContact O-N 3.03Å
119	K	53	Low	44.2	Very low	129 Å²	129	126.2 Å²	126.2	56%	0.561	65%	0.645	S	S	*	*	H	α-helix	trans	-63.8	-38.7	172	-88.3	-174.5	169.2	-173.8	0	112.7	K115 D116 K117	K115-K119 PolarHBondContact O-N 3.06Å; D116-K119 WeakPolarHBondContact O-CB 3.44Å; D116-K119 PolarHBondContact O-N 2.94Å; K117-K119 VanDerWaalsContact C-N 3.34Å
120	E	51.3	Low	44	Very low	125 Å²	125	127.7 Å²	127.7	58%	0.584	65%	0.648	S	S	*	*	H	α-helix	trans	-70.4	-35	176.2	-72.4	170.9	171.6	0	0	112.1	K112 D116 K117	K112-E120 IonicContact NZ-OE1 2.64Å; K112-E120 PolarHBondContact NZ-OE1 3.43Å; K112-E120 IonicContact NZ-OE2 3.64Å; D116-E120 PolarHBondContact O-N 2.83Å; K117-E120 PolarHBondContact O-N 3.2Å
121	L	47.5	Very low	44.4	Very low	120 Å²	120	123.6 Å²	123.6	63%	0.628	64%	0.643	S	S	*	*	H	α-helix	trans	-79.2	-34.8	179.5	-85.9	154.8	0	0	0	114.7	K117 L118	K117-L121 WeakPolarHBondContact O-CB 3.31Å; K117-L121 PolarHBondContact O-N 2.82Å; L118-L121 PolarHBondContact O-N 3.16Å
122	F	44.3	Very low	44.2	Very low	125 Å²	125	118.9 Å²	118.9	55%	0.548	64%	0.636	S	S	.	*			trans	-136.3	60.1	-175.6	-60.5	-72.6	0	0	0	113.6	L118 A124 L125	L118-F122 PolarHBondContact O-N 3.03Å; F122-A124 PolarHBondContact O-N 3.23Å; F122-A124 VanDerWaalsContact O-N 3.11Å; F122-L125 HydrophobicContact CB-CD1 4.33Å; F122-L125 PolarHBondContact O-N 2.68Å
123	P	43.8	Very low	44.2	Very low	89 Å²	89	118.8 Å²	118.8	58%	0.578	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-61.4	-23.6	-175.6	24.2	-34.8	0	0	0	114.3	L125 C126	P123-L125 VanDerWaalsContact C-N 3.31Å; P123-L125 PolarHBondContact O-N 2.94Å; P123-C126 PolarHBondContact O-N 3.26Å
124	A	45.5	Very low	43.5	Very low	89 Å²	89	126 Å²	126	74%	0.736	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-65.7	-28.3	178.3	0	0	0	0	0	114	F122 C126	F122-A124 PolarHBondContact O-N 3.23Å; F122-A124 VanDerWaalsContact O-N 3.11Å; A124-C126 VanDerWaalsContact C-N 3.28Å; A124-C126 PolarHBondContact O-N 2.94Å
125	L	40.9	Very low	42.9	Very low	149 Å²	149	124.9 Å²	124.9	78%	0.78	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-85	7.3	-176.9	-82.1	166.2	0	0	0	114.1	F122 P123	F122-L125 HydrophobicContact CB-CD1 4.33Å; F122-L125 PolarHBondContact O-N 2.68Å; P123-L125 VanDerWaalsContact C-N 3.31Å; P123-L125 PolarHBondContact O-N 2.94Å
126	C	40.3	Very low	42.7	Very low	83 Å²	83	124.5 Å²	124.5	56%	0.561	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-122.3	20.1	-176.8	-75.5	0	0	0	0	114	P123 A124	P123-C126 PolarHBondContact O-N 3.26Å; A124-C126 VanDerWaalsContact C-N 3.28Å; A124-C126 PolarHBondContact O-N 2.94Å
127	R	44.7	Very low	41.9	Very low	213 Å²	213	127.6 Å²	127.6	80%	0.804	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-84.3	138.1	164.8	-74.7	-174.8	165.7	-141.8	-8	109.9
128	P	39.8	Very low	41.8	Very low	118 Å²	118	129 Å²	129	77%	0.766	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-65.9	148.3	161.2	-13.6	29.2	0	0	0	110.1
129	D	33.8	Very low	41.6	Very low	163 Å²	163	130.7 Å²	130.7	87%	0.872	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-74.3	133.3	172.4	-62.7	-59.6	0	0	0	110.9
130	D	37.8	Very low	41.4	Very low	160 Å²	160	129.5 Å²	129.5	86%	0.856	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-78	138	175.6	-103.3	-44.9	0	0	0	111.1	A132	D130-A132 PolarHBondContact O-N 2.91Å
131	P	38.3	Very low	41.4	Very low	118 Å²	118	128.4 Å²	128.4	77%	0.766	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-71.6	126.8	179.6	28.9	-33.7	0	0	0	111.9
132	A	34.8	Very low	41.7	Very low	92 Å²	92	126.4 Å²	126.4	76%	0.76	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-63.6	148.5	-176.4	0	0	0	0	0	113.7	D130	D130-A132 PolarHBondContact O-N 2.91Å
133	P	39.6	Very low	42.2	Very low	119 Å²	119	125.6 Å²	125.6	77%	0.773	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-70.4	148.7	177.9	30.2	-35.6	0	0	0	112.1	A135	P133-A135 PolarHBondContact O-N 3.1Å
134	K	31.7	Very low	43	Very low	208 Å²	208	127 Å²	127	90%	0.904	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-61.5	121.3	-179.4	-64.1	-178.4	178.1	-176.8	0	111.9
135	A	33.4	Very low	43.3	Very low	82 Å²	82	125.2 Å²	125.2	68%	0.678	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-76.8	147.5	155.8	0	0	0	0	0	109.7	P133	P133-A135 PolarHBondContact O-N 3.1Å
136	I	40.6	Very low	43.9	Very low	164 Å²	164	123.3 Å²	123.3	84%	0.841	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-100.6	121.2	164.1	-60.8	173.5	0	0	0	105.7
137	L	38.1	Very low	44.8	Very low	127 Å²	127	122.2 Å²	122.2	67%	0.665	68%	0.676	S	S	*	*			trans	-137.8	142.3	174.1	-69.2	173.4	0	0	0	107
138	D	50.2	Low	45.3	Very low	126 Å²	126	114.6 Å²	114.6	67%	0.674	66%	0.658	S	S	*	*			trans	-79.3	151.9	-174.6	-66.3	-55	0	0	0	111.9	D140 D141	D138-D140 PolarHBondContact O-N 2.9Å; D138-D141 PolarHBondContact O-N 3.33Å
139	E	43.8	Very low	45.9	Very low	145 Å²	145	114.4 Å²	114.4	68%	0.678	65%	0.649	S	S	*	*	H	α-helix	trans	-63.2	-19.7	-167.4	-64.8	-167.5	159	0	0	115.1	K143	E139-K143 WeakPolarHBondContact O-CD 3.29Å; E139-K143 WeakPolarHBondContact O-CE 3.45Å; E139-K143 WeakPolarHBondContact O-CG 3.34Å; E139-K143 PolarHBondContact O-N 2.97Å; E139-K143 IonicContact OE2-NZ 2.75Å
140	D	49.2	Very low	46.8	Very low	105 Å²	105	113.9 Å²	113.9	56%	0.561	64%	0.639	S	S	*	*	H	α-helix	trans	-81.7	-30.9	-175.8	-67.6	-28.4	0	0	0	113	D138 V142 K143 I144	D138-D140 PolarHBondContact O-N 2.9Å; D140-V142 VanDerWaalsContact C-N 3.27Å; D140-V142 PolarHBondContact O-N 3.26Å; D140-K143 PolarHBondContact O-N 2.89Å; D140-K143 WeakPolarHBondContact OD1-CD 3.28Å; D140-K143 IonicContact OD1-NZ 3.7Å; D140-K143 PolarHBondContact OD1-NZ 2.83Å; D140-I144 WeakPolarHBondContact O-CG1 3.37Å; D140-I144 PolarHBondContact O-N 3.13Å; D140-I144 VanDerWaalsContact O-N 3.16Å
141	D	51.3	Low	47.3	Very low	102 Å²	102	113.4 Å²	113.4	55%	0.545	63%	0.631	S	S	.	*	H	α-helix	trans	-63.1	-37.1	171.1	-78.9	-21.2	0	0	0	111.1	D138 I144 A145	D138-D141 PolarHBondContact O-N 3.33Å; D141-I144 PolarHBondContact O-N 3.03Å; D141-A145 PolarHBondContact O-N 2.94Å
142	V	53.8	Low	47.7	Very low	77 Å²	77	113.5 Å²	113.5	47%	0.467	63%	0.625	S	S	.	*	H	α-helix	trans	-64	-42.5	177.3	-174.8	0	0	0	0	110.9	D140 I144 A145 D146	D140-V142 VanDerWaalsContact C-N 3.27Å; D140-V142 PolarHBondContact O-N 3.26Å; V142-I144 VanDerWaalsContact C-N 3.33Å; V142-I144 PolarHBondContact O-N 3.38Å; V142-A145 PolarHBondContact O-N 3.1Å; V142-D146 PolarHBondContact O-N 3.41Å
143	K	53.8	Low	48.2	Very low	108 Å²	108	116.3 Å²	116.3	47%	0.47	62%	0.622	S	S	.	*	H	α-helix	trans	-65.3	-35.8	178.6	-65.6	160.5	-156.4	157.3	0	111.9	E139 D140 A147	E139-K143 WeakPolarHBondContact O-CD 3.29Å; E139-K143 WeakPolarHBondContact O-CE 3.45Å; E139-K143 WeakPolarHBondContact O-CG 3.34Å; E139-K143 PolarHBondContact O-N 2.97Å; E139-K143 IonicContact OE2-NZ 2.75Å; D140-K143 PolarHBondContact O-N 2.89Å; D140-K143 WeakPolarHBondContact OD1-CD 3.28Å; D140-K143 IonicContact OD1-NZ 3.7Å; D140-K143 PolarHBondContact OD1-NZ 2.83Å; K143-A147 WeakPolarHBondContact O-CB 3.37Å; K143-A147 PolarHBondContact O-N 3.04Å; K143-A147 VanDerWaalsContact O-N 3.16Å
144	I	61.2	Low	48.4	Very low	118 Å²	118	118.3 Å²	118.3	61%	0.605	62%	0.623	S	S	*	*	H	α-helix	trans	-70	-42	176.3	-65.7	165.5	0	0	0	110.6	D140 D141 V142 A147 A148	D140-I144 WeakPolarHBondContact O-CG1 3.37Å; D140-I144 PolarHBondContact O-N 3.13Å; D140-I144 VanDerWaalsContact O-N 3.16Å; D141-I144 PolarHBondContact O-N 3.03Å; V142-I144 VanDerWaalsContact C-N 3.33Å; V142-I144 PolarHBondContact O-N 3.38Å; I144-A147 PolarHBondContact O-N 2.88Å; I144-A148 PolarHBondContact O-N 3.41Å
145	A	51.9	Low	48.9	Very low	53 Å²	53	117 Å²	117	44%	0.438	62%	0.618	S	S	.	*	H	α-helix	trans	-63.9	-46	176.1	0	0	0	0	0	112.6	D141 V142 A147 A148 M149	D141-A145 PolarHBondContact O-N 2.94Å; V142-A145 PolarHBondContact O-N 3.1Å; A145-A147 VanDerWaalsContact C-N 3.32Å; A145-A147 PolarHBondContact O-N 3.04Å; A145-A148 PolarHBondContact O-N 3.33Å; A145-M149 WeakPolarHBondContact O-CB 3.22Å; A145-M149 WeakPolarHBondContact O-CG 3.34Å; A145-M149 PolarHBondContact O-N 3.4Å
146	D	53.9	Low	49.1	Very low	109 Å²	109	121 Å²	121	58%	0.583	62%	0.624	S	S	*	*	H	α-helix	trans	-61.6	-38.4	177.1	-89	-5.2	0	0	0	112.1	V142 K150	V142-D146 PolarHBondContact O-N 3.41Å; D146-K150 VanDerWaalsContact O-CB 3.25Å; D146-K150 WeakPolarHBondContact O-CB 3.33Å; D146-K150 PolarHBondContact O-N 3Å; D146-K150 VanDerWaalsContact O-N 3.09Å
147	A	58.9	Low	48.9	Very low	59 Å²	59	119 Å²	119	49%	0.488	62%	0.622	S	S	.	*	H	α-helix	trans	-62.6	-47.6	175.9	0	0	0	0	0	111.9	K143 I144 A145 K150 E151	K143-A147 WeakPolarHBondContact O-CB 3.37Å; K143-A147 PolarHBondContact O-N 3.04Å; K143-A147 VanDerWaalsContact O-N 3.16Å; I144-A147 PolarHBondContact O-N 2.88Å; A145-A147 VanDerWaalsContact C-N 3.32Å; A145-A147 PolarHBondContact O-N 3.04Å; A147-K150 PolarHBondContact O-N 3.26Å; A147-E151 PolarHBondContact O-N 3.18Å
148	A	54.3	Low	48.6	Very low	53 Å²	53	118.7 Å²	118.7	44%	0.438	63%	0.63	S	S	.	*	H	α-helix	trans	-66.8	-39.7	179.8	0	0	0	0	0	113	I144 A145 K150 E151 L152	I144-A148 PolarHBondContact O-N 3.41Å; A145-A148 PolarHBondContact O-N 3.33Å; A148-K150 VanDerWaalsContact C-N 3.31Å; A148-K150 PolarHBondContact O-N 2.89Å; A148-E151 PolarHBondContact O-N 2.89Å; A148-L152 PolarHBondContact O-N 2.73Å
149	M	53.8	Low	47.6	Very low	114 Å²	114	119.8 Å²	119.8	56%	0.562	64%	0.641	S	S	*	*	H	α-helix	trans	-62.4	-38.9	174.9	-75.6	-70.1	-70.5	0	0	111.8	A145 E151 L152 E153	A145-M149 WeakPolarHBondContact O-CB 3.22Å; A145-M149 WeakPolarHBondContact O-CG 3.34Å; A145-M149 PolarHBondContact O-N 3.4Å; M149-E151 PolarHBondContact O-N 2.66Å; M149-L152 WeakPolarHBondContact O-CB 3.41Å; M149-L152 PolarHBondContact O-N 3.05Å; M149-L152 VanDerWaalsContact O-N 3.14Å; M149-E153 PolarHBondContact O-N 3.24Å
150	K	52.5	Low	46.9	Very low	152 Å²	152	118.5 Å²	118.5	66%	0.661	65%	0.648	S	S	*	*	H	α-helix	trans	-70.1	-29.2	-177.8	-165	169.8	-171.1	169.8	0	113.9	D146 A147 A148	D146-K150 VanDerWaalsContact O-CB 3.25Å; D146-K150 WeakPolarHBondContact O-CB 3.33Å; D146-K150 PolarHBondContact O-N 3Å; D146-K150 VanDerWaalsContact O-N 3.09Å; A147-K150 PolarHBondContact O-N 3.26Å; A148-K150 VanDerWaalsContact C-N 3.31Å; A148-K150 PolarHBondContact O-N 2.89Å
151	E	48.6	Very low	45.9	Very low	150 Å²	150	124.4 Å²	124.4	70%	0.701	66%	0.663	S	S	*	*	H	α-helix	trans	-71.5	-33.4	169.5	-67.5	-164.9	140	0	0	112.2	A147 A148 M149	A147-E151 PolarHBondContact O-N 3.18Å; A148-E151 PolarHBondContact O-N 2.89Å; M149-E151 PolarHBondContact O-N 2.66Å
152	L	46.6	Very low	44.7	Very low	121 Å²	121	124.9 Å²	124.9	63%	0.634	67%	0.674	S	S	*	*	H	α-helix	trans	-72.4	-38.3	177.4	-80.1	162.2	0	0	0	113.2	A148 M149 M154 F155	A148-L152 PolarHBondContact O-N 2.73Å; M149-L152 WeakPolarHBondContact O-CB 3.41Å; M149-L152 PolarHBondContact O-N 3.05Å; M149-L152 VanDerWaalsContact O-N 3.14Å; L152-M154 PolarHBondContact O-N 2.94Å; L152-F155 PolarHBondContact O-N 2.76Å
153	E	45.9	Very low	43.3	Very low	151 Å²	151	128 Å²	128	71%	0.706	69%	0.689	S	S	*	*	H	α-helix	trans	-63	-22.9	177.9	-73.7	-166.3	144.7	0	0	113.5	M149 F155	M149-E153 PolarHBondContact O-N 3.24Å; E153-F155 PolarHBondContact O-N 2.94Å
154	M	41.9	Very low	41.9	Very low	161 Å²	161	127.3 Å²	127.3	79%	0.793	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-8.2	177.3	-71.1	-175.1	60.8	0	0	114.5	L152	L152-M154 PolarHBondContact O-N 2.94Å
155	F	43.9	Very low	40.2	Very low	181 Å²	181	130.9 Å²	130.9	79%	0.794	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	4.7	-169.6	-90.6	-79.5	0	0	0	116.8	L152 E153	L152-F155 PolarHBondContact O-N 2.76Å; E153-F155 PolarHBondContact O-N 2.94Å
156	M	37.8	Very low	38.9	Very low	165 Å²	165	133.7 Å²	133.7	81%	0.813	73%	0.725	S	S	*	*			trans	-115.1	127.8	179.4	-69.6	-162.7	70	0	0	114.3
157	P	34.9	Very low	37.5	Very low	121 Å²	121	137.6 Å²	137.6	79%	0.786	74%	0.736	S	S	*	*			trans	-80.2	144.2	176.3	32.7	-34.4	0	0	0	112.4
158	S	31.3	Very low	35.8	Very low	121 Å²	121	139.7 Å²	139.7	85%	0.846	75%	0.748	S	S	*	*			trans	-91.1	145.4	-175.6	54.9	0	0	0	0	113.9
159	V	29.5	Very low	34.4	Very low	149 Å²	149	148.1 Å²	148.1	90%	0.903	77%	0.768	S	S	*	*			trans	-138.9	136.1	167.4	-175.4	0	0	0	0	109.4
160	S	29.8	Very low	33.1	Very low	118 Å²	118	147.7 Å²	147.7	83%	0.825	78%	0.776	S	S	*	*			trans	-102.7	179.1	-173.5	54.5	0	0	0	0	113.8
161	R	28.1	Very low	31.8	Very low	229 Å²	229	146 Å²	146	86%	0.864	78%	0.775	S	S	*	*			trans	-81.5	159.6	-166.3	-69.8	175.9	166.2	170.2	-4.8	115.3
162	S	26.3	Very low	30.8	Very low	112 Å²	112	146.3 Å²	146.3	78%	0.783	77%	0.774	S	S	*	*			trans	66.2	148.7	146.7	60.3	0	0	0	0	117.7
163	D	25.1	Very low	29.8	Very low	144 Å²	144	149.3 Å²	149.3	77%	0.77	78%	0.781	S	S	*	*			cis	-162.4	166.9	10	-145.2	-38.1	0	0	0	112.8
164	S	24.8	Very low	29	Very low	92 Å²	92	153.3 Å²	153.3	64%	0.643	79%	0.79	S	S	*	*			trans	75.7	127.4	146.9	82.2	0	0	0	0	124
165	K	24.5	Very low	28.3	Very low	194 Å²	194	157.4 Å²	157.4	84%	0.843	80%	0.797	S	S	*	*			trans	56.1	104.6	135.6	-69.3	177.1	179.6	170.4	0	122.3
166	S	24.7	Very low	27.6	Very low	112 Å²	112	156.9 Å²	156.9	78%	0.783	80%	0.796	S	S	*	*				112.9	138.4	105.2	78.8	0	0	0	0	122.5
167	K	24.6	Very low	27.3	Very low	191 Å²	191	153.1 Å²	153.1	83%	0.83	79%	0.786	S	S	*	*			trans	44.6	95.9	147.2	-71.4	-175.5	175.6	178.2	0	121.6
168	S	23.9	Very low	26.9	Very low	103 Å²	103	158.6 Å²	158.6	72%	0.72	79%	0.791	S	S	*	*				87.6	150.2	109.2	80.7	0	0	0	0	122.7
169	R	24.5	Very low	26.8	Very low	229 Å²	229	158.2 Å²	158.2	86%	0.864	79%	0.788	S	S	*	*			trans	73.9	96.5	152.3	-77.9	-177.4	174.4	-178.3	-1.6	121
170	S	25.3	Very low	26.7	Very low	105 Å²	105	163 Å²	163	73%	0.734	79%	0.79	S	S	*	*				77.4	137.7	116.3	66.4	0	0	0	0	123.2
171	D	25.6	Very low	26.7	Very low	118 Å²	118	162.4 Å²	162.4	63%	0.631	79%	0.786	S	S	*	*			trans	100	102.1	135.8	-110.8	23.1	0	0	0	122.6
172	K	27.3	Very low	26.6	Very low	156 Å²	156	162.4 Å²	162.4	68%	0.678	79%	0.786	S	S	*	*				75	143.6	124.9	-82	-178.4	-166.4	83.9	0	122.9
173	K	26.8	Very low	26.8	Very low	183 Å²	183	163.3 Å²	163.3	80%	0.796	78%	0.782	S	S	*	*			trans	83.9	91.8	147.7	-73.2	164	179.3	176.6	0	121
174	R	28.5	Very low	27	Very low	235 Å²	235	166.4 Å²	166.4	89%	0.887	78%	0.783	S	S	*	*				35.9	135.7	109	-74.4	-177.5	162.8	-178.8	-4.8	120.5
175	R	27.9	Very low	27.2	Very low	247 Å²	247	166.8 Å²	166.8	93%	0.932	78%	0.778	S	S	*	*			trans	113.5	150.2	149	-70.1	178.6	170.5	173.6	-3.4	114.8
176	H	29.6	Very low	27.4	Very low	170 Å²	170	166.1 Å²	166.1	79%	0.787	77%	0.77	S	S	*	*			cis	-174	160.4	-27.7	-173	54.1	0	0	0	110.1
177	S	31.5	Very low	27.5	Very low	86 Å²	86	170.2 Å²	170.2	60%	0.601	77%	0.768	S	S	*	*			trans	70.1	161.4	165.8	82.1	0	0	0	0	116.4
178	R	26.2	Very low	27.7	Very low	237 Å²	237	170.7 Å²	170.7	89%	0.894	77%	0.765	S	S	*	*			cis	-130	165.4	13.1	-74.8	-173.7	165.2	102.8	-3.7	114
179	S	28.9	Very low	27.8	Very low	112 Å²	112	175.8 Å²	175.8	78%	0.783	77%	0.768	S	S	*	*			trans	-97.1	169.6	175.4	53.3	0	0	0	0	113.7
180	R	27.2	Very low	28	Very low	249 Å²	249	172.6 Å²	172.6	94%	0.94	76%	0.763	S	S	*	*			trans	-151.9	158.7	153.4	-108.8	172.7	-176.7	165.9	1.1	110.4
181	S	28.9	Very low	28	Very low	106 Å²	106	178.3 Å²	178.3	74%	0.741	77%	0.769	S	S	*	*			trans	-158.1	159.7	-166.1	54.5	0	0	0	0	114
182	R	27	Very low	28.2	Very low	229 Å²	229	177.1 Å²	177.1	86%	0.864	77%	0.769	S	S	*	*			trans	173.4	133.6	154.7	-94.2	153.1	-176.3	-167	-0.4	107.5
183	D	31.1	Very low	28.2	Very low	131 Å²	131	181 Å²	181	70%	0.701	78%	0.779	S	S	*	*				66	136.9	69.9	-71.7	-58.2	0	0	0	113.2
184	R	28.5	Very low	28.4	Very low	209 Å²	209	176.7 Å²	176.7	79%	0.789	77%	0.773	S	S	*	*			cis	-164.5	157.9	11.6	-132.5	178.6	-152	-178.3	2.3	115.5
185	D	29.4	Very low	28.3	Very low	100 Å²	100	176.7 Å²	176.7	54%	0.535	77%	0.773	S	S	.	*			trans	45.3	116.1	139.9	-93.2	-8.4	0	0	0	125.8
186	R	27.8	Very low	28.5	Very low	181 Å²	181	169.8 Å²	169.8	68%	0.683	76%	0.762	S	S	*	*				63.2	122.4	114.5	-70.7	176.7	-174.3	143.6	-6.6	125.1
187	R	27	Very low	28.4	Very low	198 Å²	198	172.9 Å²	172.9	75%	0.747	77%	0.767	S	S	*	*				84.8	145.8	120.5	-75.9	177	169.5	179.5	-3.7	122.7
188	R	28	Very low	28.4	Very low	201 Å²	201	173.2 Å²	173.2	76%	0.758	77%	0.769	S	S	*	*			trans	76.9	150.5	153	-75.4	166.4	-179.6	-173.1	1.3	116.8
189	R	26.4	Very low	28.6	Very low	209 Å²	209	172.9 Å²	172.9	79%	0.789	77%	0.768	S	S	*	*			cis	-168.7	-175.8	-20.3	-124.6	-178.5	-173.7	172.1	-1.1	110
190	H	28.6	Very low	28.7	Very low	163 Å²	163	171.9 Å²	171.9	76%	0.755	76%	0.761	S	S	*	*			trans	110	117.2	167.1	-67.2	-92.1	0	0	0	113.1
191	R	26.6	Very low	28.8	Very low	225 Å²	225	170.6 Å²	170.6	85%	0.849	76%	0.756	S	S	*	*				76.2	134	53.1	-80	-171.4	166	175.7	-5.3	112.9
192	S	29.6	Very low	28.8	Very low	92 Å²	92	170.2 Å²	170.2	64%	0.643	75%	0.754	S	S	*	*			cis	177.3	146.4	-12.1	46.3	0	0	0	0	111.6
193	R	26.3	Very low	28.8	Very low	237 Å²	237	169.6 Å²	169.6	89%	0.894	75%	0.751	S	S	*	*			trans	141.5	157.3	148.6	-83.9	172.4	168.7	146.1	-4.7	112.3
194	S	30.8	Very low	28.8	Very low	93 Å²	93	169 Å²	169	65%	0.65	75%	0.748	S	S	*	*			cis	176	130.8	-49.8	49.3	0	0	0	0	112.7
195	R	27.8	Very low	28.8	Very low	236 Å²	236	169.5 Å²	169.5	89%	0.891	75%	0.75	S	S	*	*			trans	160.8	120.2	147.3	-90.8	157.2	176	173.2	-1.7	107.8
196	S	32.5	Very low	28.8	Very low	101 Å²	101	170.2 Å²	170.2	71%	0.706	75%	0.754	S	S	*	*				79.1	128.6	52.8	75.7	0	0	0	0	112.9
197	R	26.3	Very low	28.9	Very low	235 Å²	235	172.6 Å²	172.6	89%	0.887	76%	0.763	S	S	*	*			cis	-134.3	165	34.6	-60.7	159.6	178.4	154.1	-3.3	110.3
198	S	32.2	Very low	28.9	Very low	93 Å²	93	172.5 Å²	172.5	65%	0.65	77%	0.771	S	S	*	*			cis	81.8	111.8	14.7	82.3	0	0	0	0	117.4
199	R	30.1	Very low	29.2	Very low	230 Å²	230	173.3 Å²	173.3	87%	0.868	77%	0.774	S	S	*	*				-176	134.3	79.4	-93.2	171.9	-178.4	159.9	-0.8	110.4
200	S	31.1	Very low	29.3	Very low	92 Å²	92	171.7 Å²	171.7	64%	0.643	78%	0.775	S	S	*	*				79.4	146.9	78.5	89.4	0	0	0	0	115.2
201	R	28.4	Very low	29.3	Very low	222 Å²	222	174 Å²	174	84%	0.838	78%	0.777	S	S	*	*			cis	-178.4	144	36.1	-142.2	175.6	-162	169.3	0.8	114
202	S	29.8	Very low	29.5	Very low	98 Å²	98	168.6 Å²	168.6	69%	0.685	77%	0.765	S	S	*	*			trans	56.2	155.5	138.9	58.8	0	0	0	0	122.8
203	R	27.2	Very low	29.5	Very low	216 Å²	216	173.7 Å²	173.7	82%	0.815	77%	0.77	S	S	*	*			cis	-168.9	158.4	4.9	-125.4	-176.9	167.8	148.6	1.1	114.3
204	D	29.9	Very low	29.8	Very low	118 Å²	118	169 Å²	169	63%	0.631	76%	0.759	S	S	*	*			trans	45.9	123.7	140.6	-60.7	-21.2	0	0	0	126
205	R	28.3	Very low	29.9	Very low	219 Å²	219	173.1 Å²	173.1	83%	0.826	76%	0.76	S	S	*	*				80.8	128	128.2	-72.6	-172.2	-179.9	174	-1.7	126.4
206	D	29.6	Very low	30.2	Very low	116 Å²	116	166.5 Å²	166.5	62%	0.62	74%	0.742	S	S	*	*			trans	56.4	111.4	131.3	-66.3	-59.3	0	0	0	124.9
207	R	30.8	Very low	30	Very low	230 Å²	230	172.7 Å²	172.7	87%	0.868	75%	0.75	S	S	*	*				55	143.1	124.2	-70.8	178.8	168.3	167.2	-1.6	123.5
208	Q	27.5	Very low	30.3	Very low	196 Å²	196	166.2 Å²	166.2	92%	0.916	73%	0.733	S	S	*	*			trans	102.8	159.6	154.9	-80.5	-173.3	-39.5	0	0	120.2
209	R	32.9	Very low	30.1	Very low	219 Å²	219	172.3 Å²	172.3	83%	0.826	74%	0.742	S	S	*	*			trans	-66.9	169.3	-177	-60.2	175	-179.8	162.3	-2.1	110
210	E	28.2	Very low	30	Very low	174 Å²	174	164.5 Å²	164.5	81%	0.813	73%	0.733	S	S	*	*			cis	-157.2	-135.7	37	-153.8	142.4	-101.9	0	0	114.3
211	R	30.3	Very low	30	Very low	212 Å²	212	169.8 Å²	169.8	80%	0.8	74%	0.744	S	S	*	*			trans	-107	173	-164	-81.8	-174.2	170	171.9	-1	114.9
212	D	30.3	Very low	30.1	Very low	111 Å²	111	168.5 Å²	168.5	59%	0.594	75%	0.745	S	S	*	*			trans	75.8	155.7	150.1	-73.6	-48.4	0	0	0	117
213	R	29.1	Very low	30	Very low	199 Å²	199	174.9 Å²	174.9	75%	0.751	75%	0.754	S	S	*	*			cis	-176.2	162.6	-34.3	-135.5	-174.2	-167.6	113.9	-11	108.1
214	E	33.3	Very low	30.1	Very low	140 Å²	140	168.8 Å²	168.8	65%	0.654	75%	0.75	S	S	*	*			trans	65.2	165.3	160.1	-63.8	-162.4	129.9	0	0	117
215	R	31.7	Very low	30.1	Very low	178 Å²	178	168.5 Å²	168.5	67%	0.672	76%	0.757	S	S	*	*			cis	-149.6	-170.7	-20	-120.7	-172	-71.7	115.5	2.8	107.2
216	D	34.1	Very low	30.1	Very low	98 Å²	98	168.9 Å²	168.9	52%	0.524	76%	0.758	S	S	.	*			cis	-154.1	-167.2	12.8	-140.6	-40.2	0	0	0	110.5
217	R	29.8	Very low	29.9	Very low	230 Å²	230	173.9 Å²	173.9	87%	0.868	77%	0.769	S	S	*	*			trans	100.2	95.5	173.7	-59.3	177.5	179.7	179.7	0.6	113.5
218	D	31.5	Very low	29.8	Very low	100 Å²	100	168.2 Å²	168.2	54%	0.535	76%	0.756	S	S	.	*			cis	109.2	143.5	41.7	-82.4	-27.9	0	0	0	110
219	R	28.7	Very low	29.7	Very low	221 Å²	221	165 Å²	165	83%	0.834	74%	0.741	S	S	*	*			cis	-163.6	158.3	-14.6	-90.7	163.7	-156.5	166.7	21.8	105.8
220	G	27.6	Very low	29.3	Very low	66 Å²	66	164.5 Å²	164.5	68%	0.68	74%	0.739	S	S	*	*			cis	-144.1	-166.9	-3.1	0	0	0	0	0	109.6
221	K	31.2	Very low	29.2	Very low	203 Å²	203	161.3 Å²	161.3	88%	0.883	74%	0.736	S	S	*	*			cis	82.1	127.6	21	-68.7	175.6	-176.7	169.1	0	114.1
222	K	29.7	Very low	28.9	Very low	195 Å²	195	162.1 Å²	162.1	85%	0.848	74%	0.739	S	S	*	*			cis	-155.4	173	10.5	-97	170.4	175.3	177.8	0	107.9
223	R	28.6	Very low	28.9	Very low	231 Å²	231	162.2 Å²	162.2	87%	0.872	74%	0.744	S	S	*	*			cis	-177.4	146	-20	178.3	-160	-171.4	-157.6	5.6	108.3
224	A	27.9	Very low	29.1	Very low	88 Å²	88	159.1 Å²	159.1	73%	0.727	75%	0.75	S	S	*	*			trans	71.1	154.8	166.1	0	0	0	0	0	117.2
225	S	30.8	Very low	28.8	Very low	113 Å²	113	157 Å²	157	79%	0.79	75%	0.75	S	S	*	*			cis	-160.2	143.9	-13.7	40.3	0	0	0	0	113.1
226	R	29.3	Very low	29.2	Very low	226 Å²	226	153.7 Å²	153.7	85%	0.853	75%	0.751	S	S	*	*			trans	8.1	123.3	152.4	-164.5	-174.8	-152.5	173.1	5.8	118.9
227	W	25.4	Very low	28.9	Very low	221 Å²	221	156.6 Å²	156.6	84%	0.837	76%	0.762	S	S	*	*				176.7	151.7	122.9	-101	98.3	0	0	0	113.2
228	N	27.6	Very low	28.8	Very low	111 Å²	111	154.8 Å²	154.8	59%	0.594	76%	0.755	S	S	*	*			trans	43	140.5	160.7	-101.9	31.7	0	0	0	127.5
229	E	25.7	Very low	28.6	Very low	129 Å²	129	155.6 Å²	155.6	60%	0.603	76%	0.759	S	S	*	*			trans	58.1	129.8	136.3	-81.5	-172.7	118.8	0	0	126.1
230	R	24.9	Very low	28.6	Very low	208 Å²	208	155.1 Å²	155.1	79%	0.785	76%	0.757	S	S	*	*				37	155.4	125.1	-67	178	168.4	154.3	-15	122.5
231	S	26	Very low	28.7	Very low	108 Å²	108	158.4 Å²	158.4	76%	0.755	76%	0.759	S	S	*	*			trans	103.8	110.4	162.4	-52.7	0	0	0	0	112.9
232	R	24.5	Very low	28.5	Very low	229 Å²	229	158.4 Å²	158.4	86%	0.864	75%	0.754	S	S	*	*				81.3	115.1	76.3	-83.7	-178.7	167.8	173.6	-4.2	113.2
233	T	28.9	Very low	28.5	Very low	112 Å²	112	154.4 Å²	154.4	69%	0.687	74%	0.742	S	S	*	*			trans	33.7	143.1	139.2	57.5	0	0	0	0	120.8
234	P	33.6	Very low	28.4	Very low	135 Å²	135	149.2 Å²	149.2	88%	0.877	74%	0.736	S	S	*	*				-119	125.4	113	-4.8	24.5	0	0	0	113.9
235	S	28	Very low	28.4	Very low	96 Å²	96	154.3 Å²	154.3	67%	0.671	74%	0.742	S	S	*	*			trans	-85.2	170	146.9	-42.6	0	0	0	0	108.1
236	P	39.9	Very low	28.2	Very low	107 Å²	107	158.3 Å²	158.3	70%	0.695	75%	0.748	S	S	*	*				-156.9	149.1	82	38.4	-18.8	0	0	0	118
237	H	26.7	Very low	27.9	Very low	160 Å²	160	151.1 Å²	151.1	74%	0.741	74%	0.744	S	S	*	*			trans	60.7	156.5	147.2	-65.3	-32.6	0	0	0	119.1
238	R	28.2	Very low	27.8	Very low	192 Å²	192	145.3 Å²	145.3	73%	0.725	74%	0.737	S	S	*	*			cis	-156.1	163.8	-9.3	-115.3	176.8	-154.8	-179.2	3.5	105.3
239	D	28.1	Very low	27.7	Very low	116 Å²	116	146.9 Å²	146.9	62%	0.62	75%	0.746	S	S	*	*			cis	-148.9	178.2	19.6	-106.2	-50.7	0	0	0	110.2
240	R	27.8	Very low	27.7	Very low	211 Å²	211	152.1 Å²	152.1	80%	0.796	76%	0.76	S	S	*	*			trans	21.9	148	146.5	-70.1	176.8	-173	169.7	1.5	121.8
241	D	29.5	Very low	27.7	Very low	136 Å²	136	153.2 Å²	153.2	73%	0.727	76%	0.764	S	S	*	*			cis	-152.5	-165.2	16.6	-127.5	-42.6	0	0	0	114.1
242	R	28.5	Very low	27.8	Very low	202 Å²	202	156.8 Å²	156.8	76%	0.762	77%	0.766	S	S	*	*			trans	-74.6	161.9	-165	-71.1	174.8	88.5	153.2	8.9	119.7
243	D	28.7	Very low	28.1	Very low	112 Å²	112	151.2 Å²	151.2	60%	0.599	75%	0.753	S	S	*	*			trans	34	137.4	132	-48	-29.4	0	0	0	120.1
244	T	27.3	Very low	28.1	Very low	122 Å²	122	155.4 Å²	155.4	75%	0.748	76%	0.762	S	S	*	*			cis	-169	149.6	-0	15.2	0	0	0	0	110.8
245	K	28.2	Very low	27.7	Very low	195 Å²	195	156.5 Å²	156.5	85%	0.848	76%	0.755	S	S	*	*			trans	57.5	147.8	154.6	-82.8	-167	172.5	-171.3	0	122
246	E	25.8	Very low	28.1	Very low	197 Å²	197	158.5 Å²	158.5	92%	0.921	76%	0.763	S	S	*	*			trans	78.1	157.1	168.2	-51.1	-162.8	164.4	0	0	117.9
247	G	23	Very low	27.9	Very low	75 Å²	75	160.2 Å²	160.2	77%	0.773	77%	0.767	S	S	*	*			trans	125.1	94.4	167.5	0	0	0	0	0	117.2
248	S	23.8	Very low	28.7	Very low	99 Å²	99	163.6 Å²	163.6	69%	0.692	77%	0.773	S	S	*	*			trans	-37.6	155.6	154.1	52.5	0	0	0	0	118.3
249	D	25.9	Very low	29.5	Very low	144 Å²	144	159.5 Å²	159.5	77%	0.77	77%	0.771	S	S	*	*			trans	47.5	123.5	141.7	-50.6	-25.1	0	0	0	121.7
250	R	25.1	Very low	30.5	Very low	238 Å²	238	157.4 Å²	157.4	90%	0.898	76%	0.764	S	S	*	*				-177.1	150.6	98.9	-99.5	169.4	-176.8	176.6	2.3	116.4
251	W	25.6	Very low	31.8	Very low	231 Å²	231	150.9 Å²	150.9	88%	0.875	75%	0.749	S	S	*	*			trans	-42.4	142.7	168.9	-52.5	-42.7	0	0	0	116.3
252	K	27.1	Very low	33	Very low	183 Å²	183	149.9 Å²	149.9	80%	0.796	74%	0.74	S	S	*	*				-177.6	127	90	-93.6	-163.2	178	-169.3	0	109.6
253	D	29.8	Very low	34.5	Very low	112 Å²	112	146.4 Å²	146.4	60%	0.599	73%	0.732	S	S	*	*				104	116.5	54.5	177	19	0	0	0	110.4	H255	D253-H255 IonicContact OD1-CD2 3.96Å
254	K	29.1	Very low	36.3	Very low	201 Å²	201	141.4 Å²	141.4	87%	0.874	71%	0.706	S	S	*	*			trans	-160.2	91.4	157.6	-119.8	176.8	-175.7	179.4	0	110
255	H	26.7	Very low	38.2	Very low	157 Å²	157	139 Å²	139	73%	0.727	69%	0.691	S	S	*	*			trans	-52.5	138.5	167.5	-90.2	-110.4	0	0	0	112.3	D253	D253-H255 IonicContact OD1-CD2 3.96Å
256	V	35.5	Very low	40.4	Very low	138 Å²	138	133.8 Å²	133.8	84%	0.836	68%	0.675	S	S	*	*			trans	-136.7	123.2	151.8	-178.6	0	0	0	0	106.1	R258	V256-R258 PolarHBondContact O-N 3.29Å
257	D	36.5	Very low	42.3	Very low	144 Å²	144	125.1 Å²	125.1	77%	0.77	64%	0.638	S	S	*	*			trans	-70.2	130.1	-167.2	-60.4	-66.6	0	0	0	113.1
258	R	42.4	Very low	44.9	Very low	230 Å²	230	124.5 Å²	124.5	87%	0.868	62%	0.618	S	S	*	*			trans	-120.3	127.1	166.5	-164	175.8	-169.9	-176.8	2.1	107.4	V256	V256-R258 PolarHBondContact O-N 3.29Å
259	P	45.8	Very low	47.6	Very low	106 Å²	106	122.8 Å²	122.8	69%	0.688	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-62	145.2	-178.6	25.6	-34.1	0	0	0	110.7
260	P	48.7	Very low	50.2	Low	72 Å²	72	117.5 Å²	117.5	47%	0.468	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-63.3	145.1	177.7	27.2	-34.5	0	0	0	110.5
261	P	55.4	Low	52.9	Low	74 Å²	74	110.8 Å²	110.8	48%	0.481	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-62.2	147.8	178.2	27.5	-34.7	0	0	0	111.2	L289	P261-L289 WeakPolarHBondContact O-CD2 3.24Å
262	E	54.8	Low	55.7	Low	115 Å²	115	99.8 Å²	99.8	54%	0.537	51%	0.511	S	S	.	.	S	Bend	trans	-86	-12.6	-176.1	-57.4	-164.4	128.5	0	0	112.9	R290	E262-R290 WeakPolarHBondContact OE1-CD 3.43Å; E262-R290 IonicContact OE1-CZ 2.86Å; E262-R290 IonicContact OE1-NE 3.46Å; E262-R290 IonicContact OE1-NH1 2.84Å; E262-R290 PolarHBondContact OE1-NH1 2.84Å
263	E	60.1	Low	58.6	Low	129 Å²	129	95.2 Å²	95.2	60%	0.603	49%	0.491	S	S	*	.	S	Bend	trans	-132.2	146.4	-178.7	-59.1	-169.9	146.8	0	0	111.9	T265	E263-T265 PolarHBondContact O-N 2.72Å
264	P	65.9	Low	61.2	Low	8 Å²	8	90 Å²	90	5%	0.052	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-78.6	116.9	179.4	29.3	-32	0	0	0	112.6	F270 L286 L289 V325 F328	P264-F270 HydrophobicContact CB-CE2 4.38Å; P264-L286 HydrophobicContact CB-CD1 4.23Å; P264-L286 HydrophobicContact CG-CD1 4.46Å; P264-L289 HydrophobicContact CB-CD1 3.98Å; P264-L289 HydrophobicContact CG-CD1 4.35Å; P264-V325 HydrophobicContact CB-CG2 4.31Å; P264-F328 HydrophobicContact CG-CD2 3.81Å; P264-F328 HydrophobicContact CG-CE2 3.74Å
265	T	66.9	Low	63.8	Low	71 Å²	71	82.1 Å²	82.1	44%	0.436	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-73.2	137.6	175.9	33.7	0	0	0	0	113	E263 D268	E263-T265 PolarHBondContact O-N 2.72Å; T265-D268 VanDerWaalsContact CB-OD2 3.31Å; T265-D268 WeakPolarHBondContact CB-OD2 3.38Å; T265-D268 PolarHBondContact OG1-OD2 3.09Å
266	V	74.1	Confident	66.4	Low	86 Å²	86	76.8 Å²	76.8	52%	0.521	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	132.3	-179.7	177.5	0	0	0	0	110.9	V325 L326 F328	V266-V325 HydrophobicContact CG2-CG1 4.26Å; V266-L326 WeakPolarHBondContact CG1-O 3.46Å; V266-F328 HydrophobicContact CG2-CB 3.99Å
267	G	67.3	Low	68.6	Low	14 Å²	14	72.7 Å²	72.7	14%	0.144	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	-0.6	178.6	0	0	0	0	0	115.2	K324 V325 R353	G267-K324 WeakPolarHBondContact O-CE 3.49Å; G267-V325 WeakPolarHBondContact CA-O 3.24Å; G267-V325 PolarHBondContact N-O 3.12Å; G267-R353 PolarHBondContact O-NH2 3.35Å
268	D	76.2	Confident	70.7	Confident	63 Å²	63	69.9 Å²	69.9	34%	0.337	37%	0.368	S	S	.	.			trans	-91.4	160.2	171.2	-66.2	-33.6	0	0	0	111.6	T265 F270 K324 V325 R353	T265-D268 VanDerWaalsContact CB-OD2 3.31Å; T265-D268 WeakPolarHBondContact CB-OD2 3.38Å; T265-D268 PolarHBondContact OG1-OD2 3.09Å; D268-F270 HydrophobicContact CB-CE2 4.08Å; D268-K324 WeakPolarHBondContact O-CA 3.38Å; D268-V325 PolarHBondContact O-N 2.88Å; D268-R353 IonicContact OD1-NH2 2.78Å; D268-R353 PolarHBondContact OD1-NH2 3.09Å
269	I	80.3	Confident	72.2	Confident	62 Å²	62	67.9 Å²	67.9	32%	0.318	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.8	-173.9	-60.5	172.1	0	0	0	109.5	K322 I323 K324 V340 D347	I269-K322 HydrophobicContact CG2-CB 4.4Å; I269-I323 WeakPolarHBondContact CA-O 3.47Å; I269-K324 HydrophobicContact CG1-CB 4.36Å; I269-K324 HydrophobicContact CG1-CG 4.31Å; I269-V340 HydrophobicContact CD1-CG1 4.05Å; I269-V340 HydrophobicContact CD1-CG2 3.8Å; I269-V340 HydrophobicContact CG1-CG2 3.84Å; I269-V340 HydrophobicContact CG2-CG1 3.89Å; I269-V340 HydrophobicContact CG2-CG2 4.24Å; I269-D347 HydrophobicContact CD1-CB 4.08Å
270	F	81.1	Confident	73.5	Confident	34 Å²	34	67.6 Å²	67.6	15%	0.149	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	154.9	178.3	-69	-92.3	0	0	0	111	P264 D268 L286 L289 I323 V325	P264-F270 HydrophobicContact CB-CE2 4.38Å; D268-F270 HydrophobicContact CB-CE2 4.08Å; F270-L286 HydrophobicContact CB-CD2 3.47Å; F270-L286 VanDerWaalsContact CB-CD2 3.47Å; F270-L286 HydrophobicContact CD2-CD2 4.31Å; F270-L286 HydrophobicContact CG-CD2 3.95Å; F270-L289 HydrophobicContact CE1-CD2 3.96Å; F270-L289 HydrophobicContact CE1-CG 4.27Å; F270-L289 HydrophobicContact CZ-CD2 4.44Å; F270-I323 PolarHBondContact N-O 3.11Å; F270-I323 WeakPolarHBondContact O-CG1 3.31Å; F270-I323 PolarHBondContact O-N 2.77Å; F270-V325 HydrophobicContact CD2-CG2 3.98Å; F270-V325 HydrophobicContact CE2-CG2 4.13Å
271	N	81.9	Confident	75.2	Confident	97 Å²	97	64.2 Å²	64.2	52%	0.519	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	141.5	163.1	-66.3	-45.8	0	0	0	108.7	E287	N271-E287 PolarHBondContact O-N 2.91Å
272	G	84.6	Confident	76.5	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	161	176.3	0	0	0	0	0	113.2	Q285 R320 V321	G272-Q285 CarbonylContact C-O 3.47Å; G272-Q285 WeakPolarHBondContact CA-O 3.45Å; G272-R320 CarbonylContact O-C 3.57Å; G272-R320 VanDerWaalsContact O-CA 3.31Å; G272-R320 WeakPolarHBondContact O-CA 3.22Å; G272-V321 PolarHBondContact N-O 3.23Å; G272-V321 PolarHBondContact O-N 3.32Å
273	K	86.8	Confident	78.1	Confident	87 Å²	87	58 Å²	58	38%	0.378	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.6	179.8	-171.9	177	-177.3	176.8	0	110.2	T275 Q285 G318 Q319 R320	K273-T275 PolarHBondContact O-N 3.41Å; K273-Q285 PolarHBondContact N-O 3.22Å; K273-Q285 PolarHBondContact O-N 2.8Å; K273-G318 WeakPolarHBondContact CE-O 2.97Å; K273-Q319 WeakPolarHBondContact CA-O 3.47Å; K273-R320 HydrophobicContact CB-CG 4.46Å
274	I	85.5	Confident	79.4	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	114.2	-178.2	-68	139.9	0	0	0	109.8	I277 C282 F283 V284 V315 G318 Q319 V321	I274-I277 HydrophobicContact CG2-CD1 4.34Å; I274-I277 HydrophobicContact CG2-CG1 3.87Å; I274-C282 HydrophobicContact CG2-CB 4.26Å; I274-F283 CarbonylContact C-O 3.56Å; I274-F283 WeakPolarHBondContact CA-O 3.44Å; I274-V284 HydrophobicContact CG1-CG2 3.93Å; I274-V315 HydrophobicContact CD1-CB 3.79Å; I274-V315 HydrophobicContact CD1-CG1 3.82Å; I274-G318 WeakPolarHBondContact O-CA 3.46Å; I274-G318 PolarHBondContact O-N 3.4Å; I274-Q319 HydrophobicContact CD1-CB 3.85Å; I274-Q319 HydrophobicContact CD1-CG 4.3Å; I274-Q319 PolarHBondContact N-O 3.15Å; I274-V321 HydrophobicContact CD1-CG1 3.7Å; I274-V321 HydrophobicContact CD1-CG2 4.18Å; I274-V321 HydrophobicContact CG1-CG2 4.26Å
275	T	84.2	Confident	80.3	Confident	36 Å²	36	53.5 Å²	53.5	22%	0.221	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-39.3	-178.9	49.8	0	0	0	0	112.2	K273 F283 Q285 E294 K317	K273-T275 PolarHBondContact O-N 3.41Å; T275-F283 PolarHBondContact N-O 3.32Å; T275-F283 WeakPolarHBondContact OG1-CB 3.26Å; T275-F283 PolarHBondContact OG1-O 3Å; T275-Q285 HydrophobicContact CG2-CB 3.55Å; T275-E294 PolarHBondContact OG1-OE2 2.85Å; T275-K317 WeakPolarHBondContact O-CE 3.46Å
276	S	79.8	Confident	81.1	Confident	44 Å²	44	50.4 Å²	50.4	31%	0.308	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	155.3	179.8	-162	0	0	0	0	112	C282 F283	S276-C282 WeakPolarHBondContact O-CA 3.43Å; S276-F283 PolarHBondContact O-N 2.94Å
277	I	82.5	Confident	81	Confident	53 Å²	53	49.3 Å²	49.3	27%	0.272	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.1	177.8	-62.9	167.5	0	0	0	107.4	I274 C282 V311 V315 K317	I274-I277 HydrophobicContact CG2-CD1 4.34Å; I274-I277 HydrophobicContact CG2-CG1 3.87Å; I277-C282 HydrophobicContact CG1-CB 4.25Å; I277-V311 HydrophobicContact CG2-CB 3.91Å; I277-V311 HydrophobicContact CG2-CG1 3.77Å; I277-V315 HydrophobicContact CD1-CG2 4.24Å; I277-V315 VanDerWaalsContact CD1-O 3.23Å; I277-V315 WeakPolarHBondContact CD1-O 3.3Å; I277-V315 HydrophobicContact CG1-CG2 4.38Å; I277-K317 HydrophobicContact CD1-CB 4.49Å
278	M	81.4	Confident	80.9	Confident	84 Å²	84	51.7 Å²	51.7	41%	0.414	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	167.6	175.8	-63.7	-165	-179.4	0	0	110.1	F280 G281 F283 V311	M278-F280 HydrophobicContact CB-CD1 4.3Å; M278-F280 HydrophobicContact CB-CE1 3.98Å; M278-F280 HydrophobicContact CB-CZ 4.18Å; M278-F280 PolarHBondContact O-N 3.42Å; M278-F280 HydrophobicContact SD-CE1 3.83Å; M278-F280 HydrophobicContact SD-CZ 3.6Å; M278-F280 VanDerWaalsContact SD-CZ 3.6Å; M278-G281 CarbonylContact C-O 3.56Å; M278-G281 WeakPolarHBondContact CA-O 3.23Å; M278-G281 PolarHBondContact N-O 3.35Å; M278-G281 PolarHBondContact O-N 2.99Å; M278-F283 HydrophobicContact CE-CD2 4.34Å; M278-F283 HydrophobicContact CE-CE2 3.84Å; M278-F283 HydrophobicContact CG-CE2 4.41Å; M278-F283 HydrophobicContact SD-CE2 3.82Å; M278-V311 WeakPolarHBondContact O-CG2 3.47Å
279	Q	73.1	Confident	80.4	Confident	188 Å²	188	49.9 Å²	49.9	88%	0.879	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-26.5	-176.4	-69.7	175	-21.1	0	0	113.6
280	F	73.6	Confident	79.3	Confident	101 Å²	101	55.7 Å²	55.7	44%	0.443	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-3.3	-178.9	58.6	-95.4	0	0	0	114.6	M278 L296 H298 I299	M278-F280 HydrophobicContact CB-CD1 4.3Å; M278-F280 HydrophobicContact CB-CE1 3.98Å; M278-F280 HydrophobicContact CB-CZ 4.18Å; M278-F280 PolarHBondContact O-N 3.42Å; M278-F280 HydrophobicContact SD-CE1 3.83Å; M278-F280 HydrophobicContact SD-CZ 3.6Å; M278-F280 VanDerWaalsContact SD-CZ 3.6Å; F280-L296 HydrophobicContact CD2-CD1 4.38Å; F280-L296 HydrophobicContact CD2-CD2 4.2Å; F280-L296 HydrophobicContact CE2-CD1 3.95Å; F280-L296 HydrophobicContact CE2-CD2 3.86Å; F280-H298 PolarHBondContact O-CD2 3.08Å; F280-I299 PolarHBondContact O-N 3.33Å
281	G	83	Confident	78.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.8	178.3	-176.9	0	0	0	0	0	113.9	M278 V297	M278-G281 CarbonylContact C-O 3.56Å; M278-G281 WeakPolarHBondContact CA-O 3.23Å; M278-G281 PolarHBondContact N-O 3.35Å; M278-G281 PolarHBondContact O-N 2.99Å; G281-V297 CarbonylContact C-O 3.59Å; G281-V297 WeakPolarHBondContact CA-O 3.5Å
282	C	84.3	Confident	78	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.5	173.9	62.9	0	0	0	0	111.7	I274 S276 I277 V297 V311 V315	I274-C282 HydrophobicContact CG2-CB 4.26Å; S276-C282 WeakPolarHBondContact O-CA 3.43Å; I277-C282 HydrophobicContact CG1-CB 4.25Å; C282-V297 PolarHBondContact N-O 2.92Å; C282-V297 PolarHBondContact O-N 3.4Å; C282-V311 HydrophobicContact CB-CG1 4.09Å; C282-V315 HydrophobicContact CB-CG2 4.15Å
283	F	87.1	Confident	77.4	Confident	59 Å²	59	67.2 Å²	67.2	26%	0.259	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131.4	170.6	-76.5	-86.6	0	0	0	109.4	I274 T275 S276 M278 G295 L296	I274-F283 CarbonylContact C-O 3.56Å; I274-F283 WeakPolarHBondContact CA-O 3.44Å; T275-F283 PolarHBondContact N-O 3.32Å; T275-F283 WeakPolarHBondContact OG1-CB 3.26Å; T275-F283 PolarHBondContact OG1-O 3Å; S276-F283 PolarHBondContact O-N 2.94Å; M278-F283 HydrophobicContact CE-CD2 4.34Å; M278-F283 HydrophobicContact CE-CE2 3.84Å; M278-F283 HydrophobicContact CG-CE2 4.41Å; M278-F283 HydrophobicContact SD-CE2 3.82Å; F283-G295 CarbonylContact C-O 3.58Å; F283-G295 WeakPolarHBondContact CA-O 3.14Å; F283-L296 HydrophobicContact CD1-CB 4.48Å; F283-L296 HydrophobicContact CD1-CD1 4.44Å; F283-L296 HydrophobicContact CD2-CD1 4.12Å; F283-L296 HydrophobicContact CE1-CB 4.18Å; F283-L296 HydrophobicContact CE1-CD1 4.22Å; F283-L296 HydrophobicContact CE2-CD1 3.86Å; F283-L296 HydrophobicContact CG-CD1 4.41Å; F283-L296 HydrophobicContact CZ-CD1 3.93Å
284	V	87.2	Confident	77.2	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.8	-178.3	-167.8	0	0	0	0	108.9	I274 E294 G295 V297 V321 I323 L335	I274-V284 HydrophobicContact CG1-CG2 3.93Å; V284-E294 WeakPolarHBondContact O-CA 3.47Å; V284-G295 PolarHBondContact N-O 3.49Å; V284-G295 PolarHBondContact O-N 2.87Å; V284-V297 HydrophobicContact CG2-CG2 3.83Å; V284-V321 HydrophobicContact CG1-CG2 3.83Å; V284-V321 HydrophobicContact CG2-CG2 4.41Å; V284-I323 HydrophobicContact CB-CD1 4.08Å; V284-I323 HydrophobicContact CG1-CD1 3.64Å; V284-L335 HydrophobicContact CB-CD1 4.17Å
285	Q	86.1	Confident	77	Confident	42 Å²	42	67.4 Å²	67.4	20%	0.196	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.6	172.9	-177.1	-177.5	5.6	0	0	109.8	G272 K273 T275 W293 E294	G272-Q285 CarbonylContact C-O 3.47Å; G272-Q285 WeakPolarHBondContact CA-O 3.45Å; K273-Q285 PolarHBondContact N-O 3.22Å; K273-Q285 PolarHBondContact O-N 2.8Å; T275-Q285 HydrophobicContact CG2-CB 3.55Å; Q285-W293 WeakPolarHBondContact CA-O 3.44Å; Q285-E294 HydrophobicContact CB-CG 3.96Å; Q285-E294 HydrophobicContact CG-CG 4.15Å
286	L	83.4	Confident	77.1	Confident	7 Å²	7	68 Å²	68	4%	0.037	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	127.8	177.8	-69.1	159.3	0	0	0	110.4	P264 F270 L289 W293 I323	P264-L286 HydrophobicContact CB-CD1 4.23Å; P264-L286 HydrophobicContact CG-CD1 4.46Å; F270-L286 HydrophobicContact CB-CD2 3.47Å; F270-L286 VanDerWaalsContact CB-CD2 3.47Å; F270-L286 HydrophobicContact CD2-CD2 4.31Å; F270-L286 HydrophobicContact CG-CD2 3.95Å; L286-L289 HydrophobicContact CB-CD1 4.03Å; L286-L289 HydrophobicContact CD1-CD1 4Å; L286-W293 HydrophobicContact CD1-CB 4Å; L286-W293 PolarHBondContact N-O 3.36Å; L286-I323 HydrophobicContact CD2-CD1 3.54Å; L286-I323 HydrophobicContact CD2-CG1 4.3Å; L286-I323 HydrophobicContact CG-CD1 4.35Å
287	E	72.7	Confident	77.4	Confident	63 Å²	63	65.9 Å²	65.9	29%	0.294	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.3	172.3	-66.6	-172.4	163.3	0	0	109.9	N271 R320	N271-E287 PolarHBondContact O-N 2.91Å; E287-R320 IonicContact OE1-CZ 3.16Å; E287-R320 IonicContact OE1-NE 3.17Å; E287-R320 PolarHBondContact OE1-NE 3.36Å; E287-R320 VanDerWaalsContact OE1-NE 3.16Å; E287-R320 IonicContact OE1-NH2 3.18Å; E287-R320 PolarHBondContact OE1-NH2 2.81Å; E287-R320 IonicContact OE2-CZ 2.94Å; E287-R320 IonicContact OE2-NE 3.73Å; E287-R320 PolarHBondContact OE2-NE 2.9Å; E287-R320 IonicContact OE2-NH2 3.95Å; E287-R320 PolarHBondContact OE2-NH2 2.77Å
288	G	63.6	Low	77.3	Confident	64 Å²	64	67.6 Å²	67.6	66%	0.66	31%	0.314	S	S	*	.	S	Bend	trans	110.1	-8	177.5	0	0	0	0	0	116
289	L	66.4	Low	77.2	Confident	24 Å²	24	65.2 Å²	65.2	13%	0.126	30%	0.303	C	S	.	.	S	Bend	trans	-92	154.2	173.7	-65.6	169.1	0	0	0	111.8	P261 P264 F270 L286 K291 W293	P261-L289 WeakPolarHBondContact O-CD2 3.24Å; P264-L289 HydrophobicContact CB-CD1 3.98Å; P264-L289 HydrophobicContact CG-CD1 4.35Å; F270-L289 HydrophobicContact CE1-CD2 3.96Å; F270-L289 HydrophobicContact CE1-CG 4.27Å; F270-L289 HydrophobicContact CZ-CD2 4.44Å; L286-L289 HydrophobicContact CB-CD1 4.03Å; L286-L289 HydrophobicContact CD1-CD1 4Å; L289-K291 VanDerWaalsContact C-N 3.28Å; L289-K291 PolarHBondContact O-N 3.09Å; L289-W293 HydrophobicContact CD1-CB 4.47Å
290	R	57.3	Low	77.5	Confident	185 Å²	185	59.6 Å²	59.6	70%	0.698	29%	0.285	S	S	*	.	S	Bend	trans	-70.4	-21.5	-177.5	-145.4	-178.4	-166.6	-172.6	3.2	114	E262	E262-R290 WeakPolarHBondContact OE1-CD 3.43Å; E262-R290 IonicContact OE1-CZ 2.86Å; E262-R290 IonicContact OE1-NE 3.46Å; E262-R290 IonicContact OE1-NH1 2.84Å; E262-R290 PolarHBondContact OE1-NH1 2.84Å
291	K	65.6	Low	77.7	Confident	133 Å²	133	56.4 Å²	56.4	58%	0.578	27%	0.271	S	S	*	.	S	Bend	trans	-118.4	143.3	178.2	-177.1	179	178.8	-174.7	0	108.9	L289 W293	L289-K291 VanDerWaalsContact C-N 3.28Å; L289-K291 PolarHBondContact O-N 3.09Å; K291-W293 HydrophobicContact CD-CZ2 4.5Å; K291-W293 PolarHBondContact O-N 2.63Å
292	R	69.4	Low	77.4	Confident	207 Å²	207	56.9 Å²	56.9	78%	0.781	27%	0.273	S	S	*	.			trans	-67	119.3	172.1	-70.2	-170.2	173.2	-174.2	0.7	109.3
293	W	73.1	Confident	76.9	Confident	32 Å²	32	64.4 Å²	64.4	12%	0.121	30%	0.302	C	S	.	.			trans	-122.9	136.7	174.1	-79.2	101	0	0	0	109.5	Q285 L286 L289 K291 F328 T333	Q285-W293 WeakPolarHBondContact CA-O 3.44Å; L286-W293 HydrophobicContact CD1-CB 4Å; L286-W293 PolarHBondContact N-O 3.36Å; L289-W293 HydrophobicContact CD1-CB 4.47Å; K291-W293 HydrophobicContact CD-CZ2 4.5Å; K291-W293 PolarHBondContact O-N 2.63Å; W293-F328 HydrophobicContact CE3-CE2 4.34Å; W293-F328 AromaticContact CH2-CE2 3.73Å; W293-F328 HydrophobicContact CH2-CE2 3.73Å; W293-F328 AromaticContact CH2-CZ 3.54Å; W293-F328 HydrophobicContact CH2-CZ 3.54Å; W293-F328 HydrophobicContact CZ2-CE2 4.21Å; W293-F328 HydrophobicContact CZ2-CZ 4.08Å; W293-F328 AromaticContact CZ3-CE2 3.8Å; W293-F328 HydrophobicContact CZ3-CE2 3.8Å; W293-F328 HydrophobicContact CZ3-CZ 4.02Å; W293-T333 HydrophobicContact CE3-CG2 4.19Å; W293-T333 HydrophobicContact CZ3-CG2 4.32Å
294	E	81.3	Confident	75.7	Confident	91 Å²	91	69.1 Å²	69.1	43%	0.425	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	147.6	172.6	-59	-164.4	-159.3	0	0	109.8	T275 V284 Q285 T333	T275-E294 PolarHBondContact OG1-OE2 2.85Å; V284-E294 WeakPolarHBondContact O-CA 3.47Å; Q285-E294 HydrophobicContact CB-CG 3.96Å; Q285-E294 HydrophobicContact CG-CG 4.15Å; E294-T333 PolarHBondContact O-OG1 3.47Å; E294-T333 VanDerWaalsContact O-OG1 3.13Å
295	G	82.7	Confident	74.3	Confident	3 Å²	3	76.3 Å²	76.3	3%	0.031	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	163.4	177.7	0	0	0	0	0	112.3	F283 V284 T333	F283-G295 CarbonylContact C-O 3.58Å; F283-G295 WeakPolarHBondContact CA-O 3.14Å; V284-G295 PolarHBondContact N-O 3.49Å; V284-G295 PolarHBondContact O-N 2.87Å; G295-T333 WeakPolarHBondContact CA-O 3.42Å; G295-T333 WeakPolarHBondContact CA-OG1 3.41Å
296	L	85.9	Confident	72.9	Confident	47 Å²	47	77.5 Å²	77.5	25%	0.246	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.2	-178.5	-177.9	70.7	0	0	0	110.6	F280 F283 T333 L335	F280-L296 HydrophobicContact CD2-CD1 4.38Å; F280-L296 HydrophobicContact CD2-CD2 4.2Å; F280-L296 HydrophobicContact CE2-CD1 3.95Å; F280-L296 HydrophobicContact CE2-CD2 3.86Å; F283-L296 HydrophobicContact CD1-CB 4.48Å; F283-L296 HydrophobicContact CD1-CD1 4.44Å; F283-L296 HydrophobicContact CD2-CD1 4.12Å; F283-L296 HydrophobicContact CE1-CB 4.18Å; F283-L296 HydrophobicContact CE1-CD1 4.22Å; F283-L296 HydrophobicContact CE2-CD1 3.86Å; F283-L296 HydrophobicContact CG-CD1 4.41Å; F283-L296 HydrophobicContact CZ-CD1 3.93Å; L296-T333 PolarHBondContact N-O 3.19Å; L296-L335 PolarHBondContact O-N 2.85Å
297	V	85.1	Confident	71.8	Confident	0 Å²	0	88.5 Å²	88.5	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113.2	161.1	-173.3	0	0	0	0	107.5	G281 C282 V284 E301 L302 I323 L335 M337	G281-V297 CarbonylContact C-O 3.59Å; G281-V297 WeakPolarHBondContact CA-O 3.5Å; C282-V297 PolarHBondContact N-O 2.92Å; C282-V297 PolarHBondContact O-N 3.4Å; V284-V297 HydrophobicContact CG2-CG2 3.83Å; V297-E301 HydrophobicContact CG1-CB 4.24Å; V297-L302 HydrophobicContact CB-CD1 4.29Å; V297-L302 HydrophobicContact CG1-CD1 3.77Å; V297-L302 HydrophobicContact CG1-CG 4.08Å; V297-I323 HydrophobicContact CG2-CG2 4.13Å; V297-L335 HydrophobicContact CG2-CB 3.65Å; V297-L335 HydrophobicContact CG2-CD1 4.48Å; V297-M337 HydrophobicContact CG1-CG 4.22Å; V297-M337 HydrophobicContact CG1-SD 4.44Å; V297-M337 HydrophobicContact CG2-CG 4.19Å; V297-M337 HydrophobicContact CG2-SD 4.46Å
298	H	81.2	Confident	71.5	Confident	89 Å²	89	87 Å²	87	41%	0.412	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	149.9	176.7	-172.8	-111.4	0	0	0	111.1	F280 S300 E301	F280-H298 PolarHBondContact O-CD2 3.08Å; H298-S300 PolarHBondContact CE1-OG 3.06Å; H298-S300 PolarHBondContact ND1-OG 2.62Å; H298-S300 VanDerWaalsContact ND1-OG 3.08Å; H298-S300 PolarHBondContact O-N 3.22Å; H298-E301 WeakPolarHBondContact O-CA 3.34Å; H298-E301 PolarHBondContact O-N 2.84Å
299	I	80.2	Confident	71.7	Confident	35 Å²	35	88 Å²	88	18%	0.179	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-52.6	-31.5	-176	-168	168.1	0	0	0	114.2	F280 E301 V308 V311	F280-I299 PolarHBondContact O-N 3.33Å; I299-E301 PolarHBondContact O-N 3.41Å; I299-V308 HydrophobicContact CD1-CG1 4.2Å; I299-V308 WeakPolarHBondContact CD1-O 3.36Å; I299-V308 HydrophobicContact CG1-CB 4.07Å; I299-V308 HydrophobicContact CG1-CG1 3.98Å; I299-V311 HydrophobicContact CB-CG2 4.19Å; I299-V311 HydrophobicContact CD1-CG2 3.78Å; I299-V311 HydrophobicContact CG1-CG2 3.94Å
300	S	77.4	Confident	72.1	Confident	70 Å²	70	91.6 Å²	91.6	49%	0.49	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-70.6	-12.4	176.1	-40.6	0	0	0	0	115.4	H298 K338	H298-S300 PolarHBondContact CE1-OG 3.06Å; H298-S300 PolarHBondContact ND1-OG 2.62Å; H298-S300 VanDerWaalsContact ND1-OG 3.08Å; H298-S300 PolarHBondContact O-N 3.22Å; S300-K338 PolarHBondContact O-NZ 2.95Å
301	E	79.4	Confident	72.8	Confident	34 Å²	34	83 Å²	83	16%	0.159	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-118	8.4	-173.7	-68.5	-62.4	127	0	0	112.8	V297 H298 I299 S336 M337 K338	V297-E301 HydrophobicContact CG1-CB 4.24Å; H298-E301 WeakPolarHBondContact O-CA 3.34Å; H298-E301 PolarHBondContact O-N 2.84Å; I299-E301 PolarHBondContact O-N 3.41Å; E301-S336 WeakPolarHBondContact OE2-CB 3.22Å; E301-S336 PolarHBondContact OE2-OG 3.27Å; E301-M337 PolarHBondContact O-N 3.46Å; E301-K338 WeakPolarHBondContact O-CB 3.2Å; E301-K338 PolarHBondContact O-N 2.62Å; E301-K338 VanDerWaalsContact O-N 3.08Å; E301-K338 IonicContact OE1-NZ 3.68Å; E301-K338 PolarHBondContact OE1-NZ 3.34Å
302	L	77.1	Confident	73.2	Confident	9 Å²	9	79.8 Å²	79.8	5%	0.047	40%	0.399	C	S	.	.	S	Bend	trans	-80.2	-32.1	174	-98.8	98.7	0	0	0	114.1	V297 V311 V314 V315 M337	V297-L302 HydrophobicContact CB-CD1 4.29Å; V297-L302 HydrophobicContact CG1-CD1 3.77Å; V297-L302 HydrophobicContact CG1-CG 4.08Å; L302-V311 HydrophobicContact CD1-CG1 4.25Å; L302-V311 HydrophobicContact CD2-CG1 3.88Å; L302-V314 HydrophobicContact CD2-CB 4.05Å; L302-V314 HydrophobicContact CD2-CG1 4Å; L302-V315 HydrophobicContact CD2-CB 4.39Å; L302-V315 HydrophobicContact CD2-CG1 3.81Å; L302-V315 HydrophobicContact CD2-CG2 3.69Å; L302-M337 HydrophobicContact CG-SD 4.35Å
303	R	73.8	Confident	73.4	Confident	158 Å²	158	75.6 Å²	75.6	60%	0.596	39%	0.392	S	S	*	.			trans	-144.4	147.9	-173.7	-154.6	175.9	-170.2	-165	3.7	112.1	E305 V308	R303-E305 WeakPolarHBondContact CD-O 3.29Å; R303-V308 HydrophobicContact CB-CG2 3.95Å
304	R	61.4	Low	73.3	Confident	159 Å²	159	76.3 Å²	76.3	60%	0.6	40%	0.4	S	S	*	.	S	Bend	trans	-80.8	-32.4	179.8	-172.6	175.3	178.2	161.3	1.8	113.8	K338	R304-K338 HydrophobicContact CB-CG 4.3Å
305	E	56.5	Low	73.1	Confident	150 Å²	150	72.1 Å²	72.1	70%	0.701	38%	0.381	S	S	*	.	S	Bend	trans	-129.1	138.1	-173.3	-64.5	-179.6	174.4	0	0	111.4	R303	R303-E305 WeakPolarHBondContact CD-O 3.29Å
306	G	58	Low	73	Confident	68 Å²	68	79 Å²	79	70%	0.701	41%	0.412	S	S	*	.	S	Bend	trans	79.2	151	-171.5	0	0	0	0	0	113.8
307	R	59.1	Low	72.8	Confident	237 Å²	237	84.4 Å²	84.4	89%	0.894	43%	0.434	S	S	*	.			trans	-80.6	125.3	166.9	-73.3	-177	178.7	166.6	0.4	108.6
308	V	67	Low	72.3	Confident	32 Å²	32	86 Å²	86	19%	0.194	45%	0.45	C	S	.	.			trans	-79.8	120.8	172.8	179.2	0	0	0	0	108.5	I299 R303 N310 V314	I299-V308 HydrophobicContact CD1-CG1 4.2Å; I299-V308 WeakPolarHBondContact CD1-O 3.36Å; I299-V308 HydrophobicContact CG1-CB 4.07Å; I299-V308 HydrophobicContact CG1-CG1 3.98Å; R303-V308 HydrophobicContact CB-CG2 3.95Å; V308-N310 WeakPolarHBondContact CG1-O 3.22Å; V308-V314 HydrophobicContact CB-CG2 4.46Å; V308-V314 HydrophobicContact CG1-CG2 3.67Å; V308-V314 HydrophobicContact CG2-CG2 3.92Å
309	A	67.6	Low	72.3	Confident	84 Å²	84	85.5 Å²	85.5	69%	0.694	45%	0.448	S	S	*	.	S	Bend	trans	-85.9	-46.6	178.7	0	0	0	0	0	112.1
310	N	74.6	Confident	72.5	Confident	100 Å²	100	92.1 Å²	92.1	54%	0.535	47%	0.47	S	S	.	.			trans	-121.6	140.8	171.2	-60.4	-62.5	0	0	0	110.8	V308 A312 D313	V308-N310 WeakPolarHBondContact CG1-O 3.22Å; N310-A312 VanDerWaalsContact C-N 3.29Å; N310-A312 PolarHBondContact O-N 3.02Å; N310-D313 WeakPolarHBondContact CB-OD2 3.4Å; N310-D313 PolarHBondContact O-N 2.87Å
311	V	72.1	Confident	72.8	Confident	4 Å²	4	89.2 Å²	89.2	2%	0.024	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-65.9	-33	178.5	-174.2	0	0	0	0	111.9	I277 M278 C282 I299 L302 D313 V314 V315	I277-V311 HydrophobicContact CG2-CB 3.91Å; I277-V311 HydrophobicContact CG2-CG1 3.77Å; M278-V311 WeakPolarHBondContact O-CG2 3.47Å; C282-V311 HydrophobicContact CB-CG1 4.09Å; I299-V311 HydrophobicContact CB-CG2 4.19Å; I299-V311 HydrophobicContact CD1-CG2 3.78Å; I299-V311 HydrophobicContact CG1-CG2 3.94Å; L302-V311 HydrophobicContact CD1-CG1 4.25Å; L302-V311 HydrophobicContact CD2-CG1 3.88Å; V311-D313 PolarHBondContact O-N 2.93Å; V311-V314 PolarHBondContact O-N 3.34Å; V311-V315 HydrophobicContact CG1-CG2 3.68Å; V311-V315 WeakPolarHBondContact O-CG2 3.14Å; V311-V315 PolarHBondContact O-N 3.22Å
312	A	74.8	Confident	73.1	Confident	66 Å²	66	89.5 Å²	89.5	55%	0.545	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-65.4	-20.7	-178.5	0	0	0	0	0	114.3	N310 V314	N310-A312 VanDerWaalsContact C-N 3.29Å; N310-A312 PolarHBondContact O-N 3.02Å; A312-V314 PolarHBondContact O-N 3.34Å
313	D	74.3	Confident	73.5	Confident	120 Å²	120	89.1 Å²	89.1	64%	0.642	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-76.3	-12.7	178.8	-53.7	-22.7	0	0	0	112.2	N310 V311	N310-D313 WeakPolarHBondContact CB-OD2 3.4Å; N310-D313 PolarHBondContact O-N 2.87Å; V311-D313 PolarHBondContact O-N 2.93Å
314	V	70.4	Confident	73.9	Confident	47 Å²	47	81.8 Å²	81.8	29%	0.285	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-29.3	-172.2	-173.6	0	0	0	0	112.6	L302 V308 V311 A312	L302-V314 HydrophobicContact CD2-CB 4.05Å; L302-V314 HydrophobicContact CD2-CG1 4Å; V308-V314 HydrophobicContact CB-CG2 4.46Å; V308-V314 HydrophobicContact CG1-CG2 3.67Å; V308-V314 HydrophobicContact CG2-CG2 3.92Å; V311-V314 PolarHBondContact O-N 3.34Å; A312-V314 PolarHBondContact O-N 3.34Å
315	V	76	Confident	74.9	Confident	3 Å²	3	74.3 Å²	74.3	2%	0.018	39%	0.393	C	S	.	.			trans	-139.5	144.8	-177.4	-72.4	0	0	0	0	112.7	I274 I277 C282 L302 V311 M337	I274-V315 HydrophobicContact CD1-CB 3.79Å; I274-V315 HydrophobicContact CD1-CG1 3.82Å; I277-V315 HydrophobicContact CD1-CG2 4.24Å; I277-V315 VanDerWaalsContact CD1-O 3.23Å; I277-V315 WeakPolarHBondContact CD1-O 3.3Å; I277-V315 HydrophobicContact CG1-CG2 4.38Å; C282-V315 HydrophobicContact CB-CG2 4.15Å; L302-V315 HydrophobicContact CD2-CB 4.39Å; L302-V315 HydrophobicContact CD2-CG1 3.81Å; L302-V315 HydrophobicContact CD2-CG2 3.69Å; V311-V315 HydrophobicContact CG1-CG2 3.68Å; V311-V315 WeakPolarHBondContact O-CG2 3.14Å; V311-V315 PolarHBondContact O-N 3.22Å; V315-M337 HydrophobicContact CG1-CE 3.88Å; V315-M337 HydrophobicContact CG1-SD 4.22Å
316	Q	81.4	Confident	76	Confident	147 Å²	147	69.3 Å²	69.3	69%	0.687	37%	0.37	S	S	*	.			trans	-111.8	148.7	176.3	-62.6	-173.4	6.3	0	0	112.3	G318 Q319	Q316-G318 PolarHBondContact O-N 3.14Å; Q316-Q319 WeakPolarHBondContact O-CB 3.38Å; Q316-Q319 PolarHBondContact O-N 3.5Å; Q316-Q319 VanDerWaalsContact O-N 3.09Å
317	K	80.8	Confident	76.7	Confident	161 Å²	161	68.4 Å²	68.4	70%	0.7	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	123.6	-179.9	-172.9	178	-178.7	175.6	0	110.4	T275 I277	T275-K317 WeakPolarHBondContact O-CE 3.46Å; I277-K317 HydrophobicContact CD1-CB 4.49Å
318	G	74.6	Confident	77.1	Confident	33 Å²	33	60.1 Å²	60.1	34%	0.34	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-2.3	-176.8	0	0	0	0	0	115.5	K273 I274 Q316	K273-G318 WeakPolarHBondContact CE-O 2.97Å; I274-G318 WeakPolarHBondContact O-CA 3.46Å; I274-G318 PolarHBondContact O-N 3.4Å; Q316-G318 PolarHBondContact O-N 3.14Å
319	Q	82.8	Confident	76.6	Confident	79 Å²	79	63.2 Å²	63.2	37%	0.369	34%	0.343	S	S	.	.			trans	-63.5	146.7	171.3	-179.1	179.3	-2.8	0	0	110.9	K273 I274 Q316 V321	K273-Q319 WeakPolarHBondContact CA-O 3.47Å; I274-Q319 HydrophobicContact CD1-CB 3.85Å; I274-Q319 HydrophobicContact CD1-CG 4.3Å; I274-Q319 PolarHBondContact N-O 3.15Å; Q316-Q319 WeakPolarHBondContact O-CB 3.38Å; Q316-Q319 PolarHBondContact O-N 3.5Å; Q316-Q319 VanDerWaalsContact O-N 3.09Å; Q319-V321 HydrophobicContact CG-CG1 4.4Å
320	R	83	Confident	76.4	Confident	174 Å²	174	61.9 Å²	61.9	66%	0.657	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	138.8	172.4	-80.2	-179.5	163.3	162.4	-4.7	110.7	G272 K273 E287	G272-R320 CarbonylContact O-C 3.57Å; G272-R320 VanDerWaalsContact O-CA 3.31Å; G272-R320 WeakPolarHBondContact O-CA 3.22Å; K273-R320 HydrophobicContact CB-CG 4.46Å; E287-R320 IonicContact OE1-CZ 3.16Å; E287-R320 IonicContact OE1-NE 3.17Å; E287-R320 PolarHBondContact OE1-NE 3.36Å; E287-R320 VanDerWaalsContact OE1-NE 3.16Å; E287-R320 IonicContact OE1-NH2 3.18Å; E287-R320 PolarHBondContact OE1-NH2 2.81Å; E287-R320 IonicContact OE2-CZ 2.94Å; E287-R320 IonicContact OE2-NE 3.73Å; E287-R320 PolarHBondContact OE2-NE 2.9Å; E287-R320 IonicContact OE2-NH2 3.95Å; E287-R320 PolarHBondContact OE2-NH2 2.77Å
321	V	85.2	Confident	75.6	Confident	8 Å²	8	62 Å²	62	5%	0.048	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.9	-175.3	-67.1	0	0	0	0	110.3	G272 I274 V284 Q319 I323 M337	G272-V321 PolarHBondContact N-O 3.23Å; G272-V321 PolarHBondContact O-N 3.32Å; I274-V321 HydrophobicContact CD1-CG1 3.7Å; I274-V321 HydrophobicContact CD1-CG2 4.18Å; I274-V321 HydrophobicContact CG1-CG2 4.26Å; V284-V321 HydrophobicContact CG1-CG2 3.83Å; V284-V321 HydrophobicContact CG2-CG2 4.41Å; Q319-V321 HydrophobicContact CG-CG1 4.4Å; V321-I323 HydrophobicContact CG2-CG2 4.21Å; V321-M337 HydrophobicContact CB-CE 4.01Å; V321-M337 HydrophobicContact CB-SD 4.29Å; V321-M337 HydrophobicContact CG1-CE 3.58Å; V321-M337 HydrophobicContact CG1-SD 4.21Å; V321-M337 HydrophobicContact CG2-SD 4.24Å
322	K	84.6	Confident	75.3	Confident	41 Å²	41	69.3 Å²	69.3	18%	0.178	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.9	170.8	-62.7	178.3	-173.1	157.8	0	109.1	I269 V340 Q342 E343 T344 G345	I269-K322 HydrophobicContact CG2-CB 4.4Å; K322-V340 HydrophobicContact CB-CG1 3.79Å; K322-Q342 WeakPolarHBondContact CD-O 3.28Å; K322-Q342 WeakPolarHBondContact CE-O 3.33Å; K322-Q342 PolarHBondContact NZ-O 3.44Å; K322-Q342 PolarHBondContact O-NE2 2.77Å; K322-Q342 PolarHBondContact O-OE1 2.99Å; K322-E343 PolarHBondContact NZ-O 2.64Å; K322-T344 PolarHBondContact NZ-O 3.44Å; K322-G345 VanDerWaalsContact NZ-N 3.13Å
323	I	85.4	Confident	75.5	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	136.6	-170.5	38	165.4	0	0	0	111.5	I269 F270 V284 L286 V297 V321 L335 S336 M337	I269-I323 WeakPolarHBondContact CA-O 3.47Å; F270-I323 PolarHBondContact N-O 3.11Å; F270-I323 WeakPolarHBondContact O-CG1 3.31Å; F270-I323 PolarHBondContact O-N 2.77Å; V284-I323 HydrophobicContact CB-CD1 4.08Å; V284-I323 HydrophobicContact CG1-CD1 3.64Å; L286-I323 HydrophobicContact CD2-CD1 3.54Å; L286-I323 HydrophobicContact CD2-CG1 4.3Å; L286-I323 HydrophobicContact CG-CD1 4.35Å; V297-I323 HydrophobicContact CG2-CG2 4.13Å; V321-I323 HydrophobicContact CG2-CG2 4.21Å; I323-L335 HydrophobicContact CD1-CD1 3.69Å; I323-L335 HydrophobicContact CD1-CD2 4.33Å; I323-S336 WeakPolarHBondContact CA-O 3.33Å; I323-M337 HydrophobicContact CG2-CG 3.52Å
324	K	83.2	Confident	75.8	Confident	5 Å²	5	63.2 Å²	63.2	2%	0.022	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134	174	-165.5	176.3	-165.3	175.6	0	109.9	G267 D268 I269 L326 L335 S336 D339 V340 D347 N349	G267-K324 WeakPolarHBondContact O-CE 3.49Å; D268-K324 WeakPolarHBondContact O-CA 3.38Å; I269-K324 HydrophobicContact CG1-CB 4.36Å; I269-K324 HydrophobicContact CG1-CG 4.31Å; K324-L326 PolarHBondContact O-N 2.76Å; K324-L335 WeakPolarHBondContact O-CA 3.45Å; K324-S336 PolarHBondContact N-O 3.1Å; K324-S336 PolarHBondContact O-N 3.07Å; K324-D339 HydrophobicContact CD-CB 3.92Å; K324-V340 HydrophobicContact CB-CG2 3.61Å; K324-V340 HydrophobicContact CD-CG2 4.48Å; K324-D347 IonicContact NZ-OD1 3.19Å; K324-D347 PolarHBondContact NZ-OD1 3.15Å; K324-D347 IonicContact NZ-OD2 3.84Å; K324-D347 PolarHBondContact NZ-OD2 3.17Å; K324-N349 PolarHBondContact NZ-O 2.8Å
325	V	81.9	Confident	76.6	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	114.8	174	-176	0	0	0	0	108.7	P264 V266 G267 D268 F270 L335	P264-V325 HydrophobicContact CB-CG2 4.31Å; V266-V325 HydrophobicContact CG2-CG1 4.26Å; G267-V325 WeakPolarHBondContact CA-O 3.24Å; G267-V325 PolarHBondContact N-O 3.12Å; D268-V325 PolarHBondContact O-N 2.88Å; F270-V325 HydrophobicContact CD2-CG2 3.98Å; F270-V325 HydrophobicContact CE2-CG2 4.13Å; V325-L335 HydrophobicContact CG2-CD2 4.07Å
326	L	79.1	Confident	77	Confident	44 Å²	44	61 Å²	61	23%	0.23	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-40.6	178.9	-68.3	-168.3	0	0	0	112.7	V266 K324 S334	V266-L326 WeakPolarHBondContact CG1-O 3.46Å; K324-L326 PolarHBondContact O-N 2.76Å; L326-S334 PolarHBondContact N-O 2.77Å
327	S	74	Confident	76.9	Confident	49 Å²	49	54.7 Å²	54.7	34%	0.343	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	149	176.8	58.2	0	0	0	0	111.4	S334	S327-S334 PolarHBondContact N-O 3.22Å; S327-S334 PolarHBondContact O-N 3.43Å; S327-S334 WeakPolarHBondContact OG-CB 3.35Å; S327-S334 PolarHBondContact OG-OG 3.13Å
328	F	67.6	Low	76.8	Confident	64 Å²	64	50.2 Å²	50.2	28%	0.281	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.1	178.4	-176.4	-86.7	0	0	0	107.9	P264 V266 W293 T333	P264-F328 HydrophobicContact CG-CD2 3.81Å; P264-F328 HydrophobicContact CG-CE2 3.74Å; V266-F328 HydrophobicContact CG2-CB 3.99Å; W293-F328 HydrophobicContact CE3-CE2 4.34Å; W293-F328 AromaticContact CH2-CE2 3.73Å; W293-F328 HydrophobicContact CH2-CE2 3.73Å; W293-F328 AromaticContact CH2-CZ 3.54Å; W293-F328 HydrophobicContact CH2-CZ 3.54Å; W293-F328 HydrophobicContact CZ2-CE2 4.21Å; W293-F328 HydrophobicContact CZ2-CZ 4.08Å; W293-F328 AromaticContact CZ3-CE2 3.8Å; W293-F328 HydrophobicContact CZ3-CE2 3.8Å; W293-F328 HydrophobicContact CZ3-CZ 4.02Å; F328-T333 HydrophobicContact CD2-CG2 3.45Å; F328-T333 VanDerWaalsContact CD2-CG2 3.45Å; F328-T333 HydrophobicContact CE2-CG2 3.7Å; F328-T333 HydrophobicContact CG-CG2 4.46Å
329	T	54.8	Low	76.7	Confident	97 Å²	97	49 Å²	49	60%	0.595	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	90.7	-179.6	28.1	0	0	0	0	109.9	S331 K332	T329-S331 PolarHBondContact O-N 2.86Å; T329-S331 VanDerWaalsContact O-N 3.08Å; T329-K332 PolarHBondContact N-O 3.26Å; T329-K332 PolarHBondContact O-N 3.22Å; T329-K332 PolarHBondContact OG1-O 3.1Å
330	G	64.3	Low	76.4	Confident	56 Å²	56	45.4 Å²	45.4	58%	0.577	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	-108.5	-179.9	0	0	0	0	0	112.2
331	S	57.1	Low	76	Confident	102 Å²	102	39.3 Å²	39.3	71%	0.713	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.8	179.1	57.6	0	0	0	0	114.7	T329	T329-S331 PolarHBondContact O-N 2.86Å; T329-S331 VanDerWaalsContact O-N 3.08Å
332	K	65.9	Low	75.7	Confident	157 Å²	157	42 Å²	42	68%	0.683	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.4	-177.2	-66.3	178.6	-177.4	174.3	0	110.4	T329	T329-K332 PolarHBondContact N-O 3.26Å; T329-K332 PolarHBondContact O-N 3.22Å; T329-K332 PolarHBondContact OG1-O 3.1Å
333	T	78.9	Confident	74.8	Confident	7 Å²	7	48.3 Å²	48.3	4%	0.043	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.7	175.7	70.4	0	0	0	0	110	W293 E294 G295 L296 F328	W293-T333 HydrophobicContact CE3-CG2 4.19Å; W293-T333 HydrophobicContact CZ3-CG2 4.32Å; E294-T333 PolarHBondContact O-OG1 3.47Å; E294-T333 VanDerWaalsContact O-OG1 3.13Å; G295-T333 WeakPolarHBondContact CA-O 3.42Å; G295-T333 WeakPolarHBondContact CA-OG1 3.41Å; L296-T333 PolarHBondContact N-O 3.19Å; F328-T333 HydrophobicContact CD2-CG2 3.45Å; F328-T333 VanDerWaalsContact CD2-CG2 3.45Å; F328-T333 HydrophobicContact CE2-CG2 3.7Å; F328-T333 HydrophobicContact CG-CG2 4.46Å
334	S	81.3	Confident	73.6	Confident	51 Å²	51	52.6 Å²	52.6	36%	0.357	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.5	-180	-56	0	0	0	0	109.8	L326 S327	L326-S334 PolarHBondContact N-O 2.77Å; S327-S334 PolarHBondContact N-O 3.22Å; S327-S334 PolarHBondContact O-N 3.43Å; S327-S334 WeakPolarHBondContact OG-CB 3.35Å; S327-S334 PolarHBondContact OG-OG 3.13Å
335	L	87	Confident	72.7	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	152.1	-169.1	-58.7	173.6	0	0	0	110.9	V284 L296 V297 I323 K324 V325	V284-L335 HydrophobicContact CB-CD1 4.17Å; L296-L335 PolarHBondContact O-N 2.85Å; V297-L335 HydrophobicContact CG2-CB 3.65Å; V297-L335 HydrophobicContact CG2-CD1 4.48Å; I323-L335 HydrophobicContact CD1-CD1 3.69Å; I323-L335 HydrophobicContact CD1-CD2 4.33Å; K324-L335 WeakPolarHBondContact O-CA 3.45Å; V325-L335 HydrophobicContact CG2-CD2 4.07Å
336	S	84	Confident	71.9	Confident	0 Å²	0	60 Å²	60	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.6	170.5	-176.9	0	0	0	0	111.4	E301 I323 K324 K338 D339	E301-S336 WeakPolarHBondContact OE2-CB 3.22Å; E301-S336 PolarHBondContact OE2-OG 3.27Å; I323-S336 WeakPolarHBondContact CA-O 3.33Å; K324-S336 PolarHBondContact N-O 3.1Å; K324-S336 PolarHBondContact O-N 3.07Å; S336-K338 PolarHBondContact OG-N 2.91Å; S336-D339 PolarHBondContact OG-N 2.99Å
337	M	79.1	Confident	71.4	Confident	15 Å²	15	60.1 Å²	60.1	7%	0.074	34%	0.338	C	S	.	.	S	Bend	trans	-93.7	-19.5	167.4	-69.7	173.5	54.5	0	0	111.7	V297 E301 L302 V315 V321 I323 Q342	V297-M337 HydrophobicContact CG1-CG 4.22Å; V297-M337 HydrophobicContact CG1-SD 4.44Å; V297-M337 HydrophobicContact CG2-CG 4.19Å; V297-M337 HydrophobicContact CG2-SD 4.46Å; E301-M337 PolarHBondContact O-N 3.46Å; L302-M337 HydrophobicContact CG-SD 4.35Å; V315-M337 HydrophobicContact CG1-CE 3.88Å; V315-M337 HydrophobicContact CG1-SD 4.22Å; V321-M337 HydrophobicContact CB-CE 4.01Å; V321-M337 HydrophobicContact CB-SD 4.29Å; V321-M337 HydrophobicContact CG1-CE 3.58Å; V321-M337 HydrophobicContact CG1-SD 4.21Å; V321-M337 HydrophobicContact CG2-SD 4.24Å; I323-M337 HydrophobicContact CG2-CG 3.52Å; M337-Q342 PolarHBondContact O-NE2 3.18Å
338	K	79.9	Confident	71	Confident	66 Å²	66	61.4 Å²	61.4	29%	0.287	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-32.3	-174.4	164.8	-175.4	168	-163.3	0	114.2	S300 E301 R304 S336 V340	S300-K338 PolarHBondContact O-NZ 2.95Å; E301-K338 WeakPolarHBondContact O-CB 3.2Å; E301-K338 PolarHBondContact O-N 2.62Å; E301-K338 VanDerWaalsContact O-N 3.08Å; E301-K338 IonicContact OE1-NZ 3.68Å; E301-K338 PolarHBondContact OE1-NZ 3.34Å; R304-K338 HydrophobicContact CB-CG 4.3Å; S336-K338 PolarHBondContact OG-N 2.91Å; K338-V340 PolarHBondContact O-N 2.7Å
339	D	72.5	Confident	70.6	Confident	8 Å²	8	61.5 Å²	61.5	4%	0.043	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	1.6	176.7	-81.8	-21.2	0	0	0	112.7	K324 S336 L348 N349 R352	K324-D339 HydrophobicContact CD-CB 3.92Å; S336-D339 PolarHBondContact OG-N 2.99Å; D339-L348 PolarHBondContact O-N 3.38Å; D339-N349 HydrophobicContact CB-CB 4.32Å; D339-N349 VanDerWaalsContact OD1-CB 3.29Å; D339-N349 WeakPolarHBondContact OD1-CB 3.43Å; D339-N349 PolarHBondContact OD1-ND2 2.94Å; D339-R352 IonicContact OD2-NH1 2.84Å; D339-R352 PolarHBondContact OD2-NH1 3.46Å
340	V	75.6	Confident	70.7	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.024	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-132.4	132.6	-175.7	-177.6	0	0	0	0	111.4	I269 K322 K324 K338 Q342	I269-V340 HydrophobicContact CD1-CG1 4.05Å; I269-V340 HydrophobicContact CD1-CG2 3.8Å; I269-V340 HydrophobicContact CG1-CG2 3.84Å; I269-V340 HydrophobicContact CG2-CG1 3.89Å; I269-V340 HydrophobicContact CG2-CG2 4.24Å; K322-V340 HydrophobicContact CB-CG1 3.79Å; K324-V340 HydrophobicContact CB-CG2 3.61Å; K324-V340 HydrophobicContact CD-CG2 4.48Å; K338-V340 PolarHBondContact O-N 2.7Å; V340-Q342 PolarHBondContact O-N 3.11Å; V340-Q342 PolarHBondContact O-NE2 3Å
341	D	75.1	Confident	69.9	Low	46 Å²	46	63 Å²	63	25%	0.246	34%	0.339	C	S	.	.			trans	-71.1	125.5	167.9	178.8	22.5	0	0	0	110.7	E343 T344 G345 E346 L348	D341-E343 VanDerWaalsContact C-N 3.35Å; D341-E343 PolarHBondContact OD1-N 3.36Å; D341-E343 VanDerWaalsContact OD1-N 3.11Å; D341-T344 WeakPolarHBondContact CB-OG1 3.41Å; D341-T344 VanDerWaalsContact OD2-CB 3.26Å; D341-T344 WeakPolarHBondContact OD2-CB 3.35Å; D341-T344 VanDerWaalsContact OD2-CG2 3.27Å; D341-T344 WeakPolarHBondContact OD2-CG2 3.19Å; D341-T344 PolarHBondContact OD2-N 3.44Å; D341-T344 PolarHBondContact OD2-OG1 2.9Å; D341-G345 WeakPolarHBondContact O-CA 3.17Å; D341-G345 PolarHBondContact O-N 2.92Å; D341-E346 PolarHBondContact N-O 2.87Å; D341-E346 VanDerWaalsContact N-O 3.09Å; D341-L348 HydrophobicContact CB-CD1 3.99Å; D341-L348 HydrophobicContact CB-CD2 4.22Å; D341-L348 HydrophobicContact CB-CG 4.07Å
342	Q	77.6	Confident	69.5	Low	63 Å²	63	64.6 Å²	64.6	29%	0.294	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-33.6	-178.5	-58.4	-59.2	-57	0	0	111.5	K322 M337 V340	K322-Q342 WeakPolarHBondContact CD-O 3.28Å; K322-Q342 WeakPolarHBondContact CE-O 3.33Å; K322-Q342 PolarHBondContact NZ-O 3.44Å; K322-Q342 PolarHBondContact O-NE2 2.77Å; K322-Q342 PolarHBondContact O-OE1 2.99Å; M337-Q342 PolarHBondContact O-NE2 3.18Å; V340-Q342 PolarHBondContact O-N 3.11Å; V340-Q342 PolarHBondContact O-NE2 3Å
343	E	66.1	Low	68.5	Low	174 Å²	174	64.9 Å²	64.9	81%	0.813	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-61.1	-177.2	-65.2	-168.8	176.8	0	0	111.8	K322 D341	K322-E343 PolarHBondContact NZ-O 2.64Å; D341-E343 VanDerWaalsContact C-N 3.35Å; D341-E343 PolarHBondContact OD1-N 3.36Å; D341-E343 VanDerWaalsContact OD1-N 3.11Å
344	T	61.5	Low	66.5	Low	90 Å²	90	73.5 Å²	73.5	55%	0.552	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-42.3	178.9	63.7	0	0	0	0	112.3	K322 D341 E346	K322-T344 PolarHBondContact NZ-O 3.44Å; D341-T344 WeakPolarHBondContact CB-OG1 3.41Å; D341-T344 VanDerWaalsContact OD2-CB 3.26Å; D341-T344 WeakPolarHBondContact OD2-CB 3.35Å; D341-T344 VanDerWaalsContact OD2-CG2 3.27Å; D341-T344 WeakPolarHBondContact OD2-CG2 3.19Å; D341-T344 PolarHBondContact OD2-N 3.44Å; D341-T344 PolarHBondContact OD2-OG1 2.9Å; T344-E346 PolarHBondContact OG1-N 3.33Å
345	G	62.6	Low	64.4	Low	24 Å²	24	78.2 Å²	78.2	25%	0.247	38%	0.379	C	S	.	.			trans	90.4	8.6	-170.4	0	0	0	0	0	114.4	K322 D341	K322-G345 VanDerWaalsContact NZ-N 3.13Å; D341-G345 WeakPolarHBondContact O-CA 3.17Å; D341-G345 PolarHBondContact O-N 2.92Å
346	E	65.1	Low	62.2	Low	140 Å²	140	87.3 Å²	87.3	65%	0.654	42%	0.422	S	S	*	.			trans	-72.1	148.4	175.6	-64	-168	158.7	0	0	112.3	D341 T344 L348	D341-E346 PolarHBondContact N-O 2.87Å; D341-E346 VanDerWaalsContact N-O 3.09Å; T344-E346 PolarHBondContact OG1-N 3.33Å; E346-L348 PolarHBondContact O-N 3.01Å
347	D	69.8	Low	59.6	Low	46 Å²	46	89.2 Å²	89.2	25%	0.246	44%	0.441	C	S	.	.	B	Isolated β-bridge	trans	-74.3	105.7	173.7	-177.9	1.7	0	0	0	109.5	I269 K324 N349 P350	I269-D347 HydrophobicContact CD1-CB 4.08Å; K324-D347 IonicContact NZ-OD1 3.19Å; K324-D347 PolarHBondContact NZ-OD1 3.15Å; K324-D347 IonicContact NZ-OD2 3.84Å; K324-D347 PolarHBondContact NZ-OD2 3.17Å; D347-N349 PolarHBondContact O-N 3.4Å; D347-N349 VanDerWaalsContact OD1-C 3.29Å; D347-N349 PolarHBondContact OD1-N 3.47Å; D347-P350 WeakPolarHBondContact OD2-CA 3.33Å
348	L	65.6	Low	57.7	Low	75 Å²	75	94 Å²	94	39%	0.393	47%	0.473	S	S	.	.	S	Bend	trans	-74.2	-7.1	-178.6	-68.2	176.1	0	0	0	113.1	D339 D341 E346	D339-L348 PolarHBondContact O-N 3.38Å; D341-L348 HydrophobicContact CB-CD1 3.99Å; D341-L348 HydrophobicContact CB-CD2 4.22Å; D341-L348 HydrophobicContact CB-CG 4.07Å; E346-L348 PolarHBondContact O-N 3.01Å
349	N	59.9	Low	55.4	Low	66 Å²	66	98.6 Å²	98.6	35%	0.353	50%	0.501	S	S	.	.			trans	-145.7	61.7	-174.1	-160.1	3.3	0	0	0	113.1	K324 D339 D347 N351 R352	K324-N349 PolarHBondContact NZ-O 2.8Å; D339-N349 HydrophobicContact CB-CB 4.32Å; D339-N349 VanDerWaalsContact OD1-CB 3.29Å; D339-N349 WeakPolarHBondContact OD1-CB 3.43Å; D339-N349 PolarHBondContact OD1-ND2 2.94Å; D347-N349 PolarHBondContact O-N 3.4Å; D347-N349 VanDerWaalsContact OD1-C 3.29Å; D347-N349 PolarHBondContact OD1-N 3.47Å; N349-N351 VanDerWaalsContact C-N 3.27Å; N349-N351 PolarHBondContact O-N 3.14Å; N349-R352 PolarHBondContact O-N 3.14Å
350	P	56.2	Low	53.4	Low	76 Å²	76	99.4 Å²	99.4	49%	0.494	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-69.3	-22.7	-174.7	28.6	-35.9	0	0	0	113.4	D347 R352 R353	D347-P350 WeakPolarHBondContact OD2-CA 3.33Å; P350-R352 PolarHBondContact O-N 2.83Å; P350-R352 VanDerWaalsContact O-N 3.07Å; P350-R353 PolarHBondContact O-N 2.85Å; P350-R353 VanDerWaalsContact O-N 3.08Å
351	N	46.6	Very low	51.3	Low	109 Å²	109	105.9 Å²	105.9	58%	0.583	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-62	-17.4	-179.6	-83	-24.7	0	0	0	113.7	N349 R353 R354	N349-N351 VanDerWaalsContact C-N 3.27Å; N349-N351 PolarHBondContact O-N 3.14Å; N351-R353 PolarHBondContact O-N 3.25Å; N351-R354 WeakPolarHBondContact O-CB 3.38Å; N351-R354 PolarHBondContact O-N 3.27Å
352	R	49.6	Very low	49.3	Very low	135 Å²	135	112 Å²	112	51%	0.509	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-63.5	-21.1	174.3	-153.3	172	-174.1	167.7	1.3	113	D339 N349 P350 R354	D339-R352 IonicContact OD2-NH1 2.84Å; D339-R352 PolarHBondContact OD2-NH1 3.46Å; N349-R352 PolarHBondContact O-N 3.14Å; P350-R352 PolarHBondContact O-N 2.83Å; P350-R352 VanDerWaalsContact O-N 3.07Å; R352-R354 PolarHBondContact O-N 3.16Å
353	R	44.3	Very low	47.2	Very low	164 Å²	164	116.9 Å²	116.9	62%	0.619	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-71.2	-10.9	168.6	-76.1	-174.3	170.8	-179.1	-2.3	113.9	G267 D268 P350 N351	G267-R353 PolarHBondContact O-NH2 3.35Å; D268-R353 IonicContact OD1-NH2 2.78Å; D268-R353 PolarHBondContact OD1-NH2 3.09Å; P350-R353 PolarHBondContact O-N 2.85Å; P350-R353 VanDerWaalsContact O-N 3.08Å; N351-R353 PolarHBondContact O-N 3.25Å
354	R	36.3	Very low	45.8	Very low	187 Å²	187	115.6 Å²	115.6	71%	0.706	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-18	-172.4	-156	170.6	-177	170.1	0.1	114.7	N351 R352 Q356 G357	N351-R354 WeakPolarHBondContact O-CB 3.38Å; N351-R354 PolarHBondContact O-N 3.27Å; R352-R354 PolarHBondContact O-N 3.16Å; R354-Q356 PolarHBondContact O-N 3.27Å; R354-Q356 VanDerWaalsContact O-N 3.09Å; R354-G357 PolarHBondContact O-N 2.95Å
355	N	37.7	Very low	44.7	Very low	150 Å²	150	116.5 Å²	116.5	80%	0.802	58%	0.583	S	S	*	*	S	Bend	trans	-77.3	16.9	177.2	-79.6	30.5	0	0	0	114.5
356	Q	40.5	Very low	43.5	Very low	196 Å²	196	120.9 Å²	120.9	92%	0.916	60%	0.599	S	S	*	*	S	Bend	trans	-122.7	51.8	162.8	-67.5	-172.5	-4.5	0	0	109.4	R354	R354-Q356 PolarHBondContact O-N 3.27Å; R354-Q356 VanDerWaalsContact O-N 3.09Å
357	G	29.8	Very low	42.6	Very low	39 Å²	39	120.2 Å²	120.2	40%	0.402	59%	0.59	S	S	.	*	S	Bend	trans	-122.6	170.1	170.3	0	0	0	0	0	110.9	R354 D359	R354-G357 PolarHBondContact O-N 2.95Å; G357-D359 PolarHBondContact O-N 3.04Å
358	P	38.6	Very low	41.3	Very low	117 Å²	117	118.7 Å²	118.7	76%	0.76	58%	0.582	S	S	*	*	S	Bend	trans	-78.9	25.1	-160.6	32.1	-37.4	0	0	0	117	G360	P358-G360 PolarHBondContact O-N 3.08Å
359	D	32.1	Very low	40.3	Very low	162 Å²	162	118.2 Å²	118.2	87%	0.866	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	39.4	177.5	-61.2	-37.7	0	0	0	113	G357	G357-D359 PolarHBondContact O-N 3.04Å
360	G	31.9	Very low	39.6	Very low	25 Å²	25	118.1 Å²	118.1	26%	0.258	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.3	11	179.5	0	0	0	0	0	114	P358 K364	P358-G360 PolarHBondContact O-N 3.08Å; G360-K364 WeakPolarHBondContact O-CB 3.3Å; G360-K364 WeakPolarHBondContact O-CD 3.46Å; G360-K364 WeakPolarHBondContact O-CG 3.45Å; G360-K364 PolarHBondContact O-N 3.06Å
361	E	30.3	Very low	39.2	Very low	139 Å²	139	119 Å²	119	65%	0.65	58%	0.576	S	S	*	*	H	α-helix	trans	-75.4	-37	-178.2	-60.1	-147.1	130	0	0	112.8	E363 K364 I365	E361-E363 PolarHBondContact O-N 3.03Å; E361-K364 PolarHBondContact O-N 3.05Å; E361-I365 WeakPolarHBondContact O-CG1 3.29Å; E361-I365 PolarHBondContact O-N 3.46Å; E361-I365 VanDerWaalsContact O-N 3.08Å
362	E	32.8	Very low	38.7	Very low	174 Å²	174	117.7 Å²	117.7	81%	0.813	57%	0.574	S	S	*	*	H	α-helix	trans	-65.4	-39.4	178	-61.8	-163.3	148.2	0	0	112.4
363	E	34.3	Very low	38.2	Very low	167 Å²	167	116 Å²	116	78%	0.78	58%	0.579	S	S	*	*	H	α-helix	trans	-70.6	-33.7	172.3	-72.9	-150.9	131.8	0	0	113.1	E361 I365 M366 R367	E361-E363 PolarHBondContact O-N 3.03Å; E363-I365 VanDerWaalsContact C-N 3.34Å; E363-I365 PolarHBondContact O-N 2.84Å; E363-M366 PolarHBondContact O-N 2.82Å; E363-R367 PolarHBondContact O-N 2.88Å
364	K	35.9	Very low	37.8	Very low	146 Å²	146	114.6 Å²	114.6	64%	0.635	58%	0.583	S	S	*	*	H	α-helix	trans	-64.3	-37	176.9	-81.3	169.6	-175.1	173	0	112.2	G360 E361 M366 R367	G360-K364 WeakPolarHBondContact O-CB 3.3Å; G360-K364 WeakPolarHBondContact O-CD 3.46Å; G360-K364 WeakPolarHBondContact O-CG 3.45Å; G360-K364 PolarHBondContact O-N 3.06Å; E361-K364 PolarHBondContact O-N 3.05Å; K364-M366 PolarHBondContact O-N 2.82Å; K364-R367 PolarHBondContact O-N 2.99Å; K364-R367 VanDerWaalsContact O-N 3.17Å
365	I	38.1	Very low	37.7	Very low	110 Å²	110	110.9 Å²	110.9	56%	0.564	58%	0.577	S	S	*	*	H	α-helix	trans	-62.7	-28.4	177	-68.5	162	0	0	0	111.6	E361 E363	E361-I365 WeakPolarHBondContact O-CG1 3.29Å; E361-I365 PolarHBondContact O-N 3.46Å; E361-I365 VanDerWaalsContact O-N 3.08Å; E363-I365 VanDerWaalsContact C-N 3.34Å; E363-I365 PolarHBondContact O-N 2.84Å
366	M	38.4	Very low	37.2	Very low	116 Å²	116	110.9 Å²	110.9	57%	0.571	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	4.7	177.3	-67.5	-137.8	175.5	0	0	115.1	E363 K364	E363-M366 PolarHBondContact O-N 2.82Å; K364-M366 PolarHBondContact O-N 2.82Å
367	R	45.4	Very low	37.1	Very low	126 Å²	126	109.6 Å²	109.6	48%	0.475	58%	0.576	S	S	.	*	S	Bend	trans	-96.5	128.1	-178.2	-167.5	169.1	-177.9	150.7	3.4	112.2	E363 K364 T373	E363-R367 PolarHBondContact O-N 2.88Å; K364-R367 PolarHBondContact O-N 2.99Å; K364-R367 VanDerWaalsContact O-N 3.17Å; R367-T373 PolarHBondContact NH2-O 3.04Å
368	N	43.5	Very low	37.3	Very low	13 Å²	13	111 Å²	111	7%	0.07	59%	0.589	C	S	.	*			trans	-56.3	122.1	170.2	172.7	13	0	0	0	110.2	D370 R371 S1053	N368-D370 VanDerWaalsContact C-N 3.28Å; N368-D370 PolarHBondContact O-N 3.02Å; N368-D370 PolarHBondContact OD1-N 3.43Å; N368-D370 VanDerWaalsContact OD1-N 3.11Å; N368-R371 HydrophobicContact CB-CB 4.15Å; N368-R371 PolarHBondContact O-N 3.48Å; N368-S1053 PolarHBondContact OD1-OG 3.33Å
369	P	45.1	Very low	36.8	Very low	65 Å²	65	114.6 Å²	114.6	42%	0.422	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.6	-33.9	-178.1	-19.9	30.8	0	0	0	113.5	R371 N1056	P369-R371 VanDerWaalsContact C-N 3.34Å; P369-N1056 WeakPolarHBondContact CG-ND2 3.26Å
370	D	44.7	Very low	36.6	Very low	64 Å²	64	111.2 Å²	111.2	34%	0.342	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.4	-2.7	-171	-55.6	-32.1	0	0	0	112.2	N368 P372 Q1039 A1049 N1052	N368-D370 VanDerWaalsContact C-N 3.28Å; N368-D370 PolarHBondContact O-N 3.02Å; N368-D370 PolarHBondContact OD1-N 3.43Å; N368-D370 VanDerWaalsContact OD1-N 3.11Å; D370-P372 WeakPolarHBondContact O-CD 3.35Å; D370-Q1039 VanDerWaalsContact C-NE2 3.32Å; D370-Q1039 PolarHBondContact O-NE2 2.84Å; D370-A1049 HydrophobicContact CB-CB 4.37Å; D370-N1052 VanDerWaalsContact OD2-CB 3.29Å; D370-N1052 WeakPolarHBondContact OD2-CB 2.87Å; D370-N1052 PolarHBondContact OD2-ND2 3.2Å
371	R	46.8	Very low	36.5	Very low	95 Å²	95	115.8 Å²	115.8	36%	0.358	62%	0.615	S	S	.	*	S	Bend	trans	-77.8	118.9	177.4	-173.6	176.3	177.4	-147	-8.1	109.3	N368 P369 T373 L375	N368-R371 HydrophobicContact CB-CB 4.15Å; N368-R371 PolarHBondContact O-N 3.48Å; P369-R371 VanDerWaalsContact C-N 3.34Å; R371-T373 PolarHBondContact O-N 2.81Å; R371-L375 PolarHBondContact NH2-O 3.19Å
372	P	37.3	Very low	36.8	Very low	82 Å²	82	118 Å²	118	53%	0.532	63%	0.626	S	S	.	*			trans	-55.3	140.9	174.9	23	-33	0	0	0	110.4	D370 N374	D370-P372 WeakPolarHBondContact O-CD 3.35Å; P372-N374 PolarHBondContact O-N 2.75Å
373	T	38.2	Very low	36.5	Very low	99 Å²	99	116.7 Å²	116.7	61%	0.607	62%	0.623	S	S	*	*	S	Bend	trans	-65.3	-25.6	-169.5	41.2	0	0	0	0	113.7	R367 R371	R367-T373 PolarHBondContact NH2-O 3.04Å; R371-T373 PolarHBondContact O-N 2.81Å
374	N	36.3	Very low	36.3	Very low	134 Å²	134	117.3 Å²	117.3	72%	0.717	63%	0.626	S	S	*	*			trans	-107.1	75.2	-162	-58.8	6.1	0	0	0	111	P372	P372-N374 PolarHBondContact O-N 2.75Å
375	L	33.6	Very low	36	Very low	110 Å²	110	118.6 Å²	118.6	58%	0.576	64%	0.64	S	S	*	*			trans	-150.9	63.9	164	-109.8	176.9	0	0	0	110.8	R371	R371-L375 PolarHBondContact NH2-O 3.19Å
376	N	28.2	Very low	35.5	Very low	150 Å²	150	119.9 Å²	119.9	80%	0.802	65%	0.648	S	S	*	*			trans	-97.6	142.8	152.4	-84.9	0.4	0	0	0	107.9
377	L	37.2	Very low	35.2	Very low	169 Å²	169	119.9 Å²	119.9	89%	0.885	66%	0.655	S	S	*	*	S	Bend	trans	-76	127.2	168.2	-85.6	66.5	0	0	0	108.8
378	G	33.9	Very low	34.6	Very low	67 Å²	67	122.3 Å²	122.3	69%	0.691	68%	0.677	S	S	*	*	S	Bend	trans	99.2	116.3	177.7	0	0	0	0	0	113.9
379	H	29.6	Very low	34	Very low	194 Å²	194	130.1 Å²	130.1	90%	0.898	71%	0.712	S	S	*	*			trans	47.3	108	176.1	-74.8	-38	0	0	0	118.1
380	A	27.3	Very low	33.5	Very low	91 Å²	91	135.5 Å²	135.5	75%	0.752	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-86.3	135.6	157.2	0	0	0	0	0	110.2
381	P	28.8	Very low	32.9	Very low	120 Å²	120	139 Å²	139	78%	0.779	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-84.2	145.1	154.9	33.5	-28.7	0	0	0	110
382	E	36.5	Very low	32.3	Very low	187 Å²	187	146.3 Å²	146.3	87%	0.874	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-81.3	155.2	173.2	-64.1	161.4	137.5	0	0	110.9
383	L	28.2	Very low	32.6	Very low	145 Å²	145	147.9 Å²	147.9	76%	0.759	77%	0.767	S	S	*	*			trans	-174	130.8	139.6	-102.1	168.8	0	0	0	110.4
384	E	30.1	Very low	32.9	Very low	180 Å²	180	149.1 Å²	149.1	84%	0.841	78%	0.775	S	S	*	*			trans	44.3	100.3	150.6	-68.5	163.7	-166.6	0	0	119.5
385	D	28.5	Very low	33.4	Very low	174 Å²	174	151.1 Å²	151.1	93%	0.93	78%	0.777	S	S	*	*			trans	-134.9	140	140.5	-152	-6.3	0	0	0	107.3
386	D	27.4	Very low	34.8	Very low	137 Å²	137	148.7 Å²	148.7	73%	0.733	76%	0.764	S	S	*	*			trans	-105.8	148.3	-157	-159.7	1.1	0	0	0	113.7
387	T	32.5	Very low	36.7	Very low	116 Å²	116	144.1 Å²	144.1	71%	0.712	74%	0.744	S	S	*	*	S	Bend	trans	58.5	76.4	172.9	60.8	0	0	0	0	118.5
388	L	33.8	Very low	37.8	Very low	177 Å²	177	142.4 Å²	142.4	93%	0.927	74%	0.736	S	S	*	*				174.9	98.5	125.5	-95.4	167.6	0	0	0	110.5	R390	L388-R390 PolarHBondContact O-N 3.43Å
389	E	29.7	Very low	39.7	Very low	176 Å²	176	143.2 Å²	143.2	82%	0.822	73%	0.729	S	S	*	*			trans	-73.4	112.2	179.7	-64.9	-165.1	169.1	0	0	112.5
390	R	34.1	Very low	41.7	Very low	178 Å²	178	138.6 Å²	138.6	67%	0.672	71%	0.708	S	S	*	*			trans	-101.4	103.3	147.1	-79.5	-169.2	174.7	-153	0.2	107.8	L388 R392 D432	L388-R390 PolarHBondContact O-N 3.43Å; R390-R392 PolarHBondContact O-N 3.26Å; R390-D432 IonicContact CZ-OD1 2.78Å; R390-D432 IonicContact CZ-OD2 2.63Å; R390-D432 IonicContact NH1-OD1 2.91Å; R390-D432 PolarHBondContact NH1-OD1 3.5Å; R390-D432 IonicContact NH1-OD2 3.54Å; R390-D432 PolarHBondContact NH1-OD2 3.42Å; R390-D432 IonicContact NH2-OD1 2.97Å; R390-D432 PolarHBondContact NH2-OD1 3.39Å
391	K	33.2	Very low	43.9	Very low	137 Å²	137	139 Å²	139	60%	0.596	69%	0.693	S	S	*	*			trans	-53.9	132.1	172	-68.2	174.7	-175.7	171.6	0	108.9	L393 D422	K391-L393 PolarHBondContact O-N 3.49Å; K391-D422 IonicContact NZ-OD1 3.81Å; K391-D422 PolarHBondContact NZ-OD1 3.16Å
392	R	33.2	Very low	46	Very low	250 Å²	250	140.8 Å²	140.8	94%	0.943	68%	0.684	S	S	*	*			trans	-72.5	93.1	174	-85.2	-175.9	168.5	177.4	-2.8	110	R390 T394	R390-R392 PolarHBondContact O-N 3.26Å; R392-T394 PolarHBondContact O-N 3.26Å
393	L	44	Very low	48	Very low	114 Å²	114	137.3 Å²	137.3	60%	0.597	67%	0.668	S	S	*	*			trans	-55.6	133	166.9	-71.1	163.6	0	0	0	109.9	K391 K395	K391-L393 PolarHBondContact O-N 3.49Å; L393-K395 PolarHBondContact O-N 2.93Å
394	T	44.8	Very low	50.3	Low	126 Å²	126	132.2 Å²	132.2	77%	0.773	64%	0.641	S	S	*	*			trans	-69.3	120	171.4	42.7	0	0	0	0	109.2	R392 I396	R392-T394 PolarHBondContact O-N 3.26Å; T394-I396 PolarHBondContact O-N 3.38Å
395	K	46.9	Very low	52.4	Low	175 Å²	175	131 Å²	131	76%	0.761	63%	0.633	S	S	*	*			trans	-59.6	109.5	175.5	-83.3	-145	174.9	-156	0	109.6	L393 D436	L393-K395 PolarHBondContact O-N 2.93Å; K395-D436 IonicContact NZ-OD1 2.7Å; K395-D436 IonicContact NZ-OD2 3.64Å; K395-D436 PolarHBondContact NZ-OD2 3.28Å
396	I	63.5	Low	54.8	Low	59 Å²	59	127.1 Å²	127.1	30%	0.303	61%	0.609	S	S	.	*			trans	-63.3	140.8	169.6	-55.2	167.8	0	0	0	108.2	T394 E400 K401 I404 P419	T394-I396 PolarHBondContact O-N 3.38Å; I396-E400 HydrophobicContact CG2-CB 3.44Å; I396-E400 VanDerWaalsContact CG2-CB 3.44Å; I396-K401 HydrophobicContact CG2-CB 4.22Å; I396-I404 HydrophobicContact CD1-CD1 4.5Å; I396-I404 HydrophobicContact CG2-CD1 4.36Å; I396-P419 HydrophobicContact CD1-CB 3.59Å; I396-P419 HydrophobicContact CD1-CG 3.68Å
397	S	68.3	Low	57.2	Low	55 Å²	55	124.2 Å²	124.2	39%	0.385	59%	0.592	S	S	.	*			trans	-76.5	156.3	176.6	70	0	0	0	0	112.3	P399 E400 K401	S397-P399 VanDerWaalsContact C-CD 3.48Å; S397-E400 VanDerWaalsContact CB-OE2 3.28Å; S397-E400 WeakPolarHBondContact CB-OE2 3.48Å; S397-E400 PolarHBondContact N-OE2 2.83Å; S397-E400 PolarHBondContact O-N 2.94Å; S397-E400 VanDerWaalsContact O-N 3.12Å; S397-E400 VanDerWaalsContact OG-CD 3.23Å; S397-E400 WeakPolarHBondContact OG-CG 3.47Å; S397-E400 PolarHBondContact OG-OE2 2.87Å; S397-K401 WeakPolarHBondContact O-CB 3.39Å; S397-K401 PolarHBondContact O-N 3.38Å
398	D	60.1	Low	59.3	Low	132 Å²	132	121.8 Å²	121.8	71%	0.706	57%	0.574	S	S	*	*	H	α-helix	trans	-57.2	-37.4	-176.8	-60.4	-57.9	0	0	0	114.8	K401 W402	D398-K401 PolarHBondContact O-N 3.02Å; D398-W402 WeakPolarHBondContact O-CB 3.48Å; D398-W402 PolarHBondContact O-N 2.92Å
399	P	73.5	Confident	61.3	Low	85 Å²	85	117.3 Å²	117.3	55%	0.552	56%	0.562	S	S	*	*	H	α-helix	trans	-61	-48.6	171.9	-23.8	35.1	0	0	0	112.8	S397 K401 W402 E403	S397-P399 VanDerWaalsContact C-CD 3.48Å; P399-K401 VanDerWaalsContact C-N 3.33Å; P399-K401 PolarHBondContact O-N 3.33Å; P399-W402 WeakPolarHBondContact O-CB 3.4Å; P399-W402 PolarHBondContact O-N 3.49Å; P399-W402 VanDerWaalsContact O-N 3.1Å; P399-E403 WeakPolarHBondContact O-CG 3.39Å; P399-E403 PolarHBondContact O-N 3.48Å
400	E	71.1	Confident	63.8	Low	97 Å²	97	112 Å²	112	45%	0.453	55%	0.549	S	S	.	.	H	α-helix	trans	-63	-40.3	178.5	-65	164.1	134.4	0	0	110.9	I396 S397 W402 E403 I404	I396-E400 HydrophobicContact CG2-CB 3.44Å; I396-E400 VanDerWaalsContact CG2-CB 3.44Å; S397-E400 VanDerWaalsContact CB-OE2 3.28Å; S397-E400 WeakPolarHBondContact CB-OE2 3.48Å; S397-E400 PolarHBondContact N-OE2 2.83Å; S397-E400 PolarHBondContact O-N 2.94Å; S397-E400 VanDerWaalsContact O-N 3.12Å; S397-E400 VanDerWaalsContact OG-CD 3.23Å; S397-E400 WeakPolarHBondContact OG-CG 3.47Å; S397-E400 PolarHBondContact OG-OE2 2.87Å; E400-W402 VanDerWaalsContact C-N 3.26Å; E400-W402 PolarHBondContact O-N 3.17Å; E400-E403 PolarHBondContact O-N 3.21Å; E400-I404 WeakPolarHBondContact O-CB 3.43Å; E400-I404 WeakPolarHBondContact O-CD1 3.49Å; E400-I404 VanDerWaalsContact O-CG1 3.23Å; E400-I404 WeakPolarHBondContact O-CG1 3.27Å; E400-I404 PolarHBondContact O-N 3.04Å
401	K	73.3	Confident	65.9	Low	98 Å²	98	110.9 Å²	110.9	43%	0.426	56%	0.556	S	S	.	*	H	α-helix	trans	-63.7	-31.4	175.4	-164.8	175.2	-176.3	179.6	0	111.8	I396 S397 D398 P399 K405	I396-K401 HydrophobicContact CG2-CB 4.22Å; S397-K401 WeakPolarHBondContact O-CB 3.39Å; S397-K401 PolarHBondContact O-N 3.38Å; D398-K401 PolarHBondContact O-N 3.02Å; P399-K401 VanDerWaalsContact C-N 3.33Å; P399-K401 PolarHBondContact O-N 3.33Å; K401-K405 WeakPolarHBondContact O-CB 3.36Å; K401-K405 PolarHBondContact O-N 3.33Å
402	W	73.6	Confident	68.1	Low	159 Å²	159	109.2 Å²	109.2	60%	0.602	56%	0.557	S	S	*	*	H	α-helix	trans	-75.9	-45.4	172.7	-174.8	93.4	0	0	0	112.3	D398 P399 E400 K405 Q406	D398-W402 WeakPolarHBondContact O-CB 3.48Å; D398-W402 PolarHBondContact O-N 2.92Å; P399-W402 WeakPolarHBondContact O-CB 3.4Å; P399-W402 PolarHBondContact O-N 3.49Å; P399-W402 VanDerWaalsContact O-N 3.1Å; E400-W402 VanDerWaalsContact C-N 3.26Å; E400-W402 PolarHBondContact O-N 3.17Å; W402-K405 WeakPolarHBondContact O-CB 3.33Å; W402-K405 PolarHBondContact O-N 2.61Å; W402-K405 VanDerWaalsContact O-N 3.17Å; W402-Q406 HydrophobicContact CD2-CG 4.06Å; W402-Q406 HydrophobicContact CE3-CG 3.94Å; W402-Q406 HydrophobicContact CH2-CG 3.78Å; W402-Q406 HydrophobicContact CZ2-CG 3.9Å; W402-Q406 HydrophobicContact CZ3-CG 3.8Å; W402-Q406 WeakPolarHBondContact O-CG 3.47Å; W402-Q406 PolarHBondContact O-N 3.19Å
403	E	78.1	Confident	70	Confident	113 Å²	113	98.9 Å²	98.9	53%	0.528	52%	0.52	S	S	.	.	H	α-helix	trans	-62.4	-45.4	178.4	-72.5	-179.5	168.4	0	0	111.9	P399 E400 K405 Q406 M407	P399-E403 WeakPolarHBondContact O-CG 3.39Å; P399-E403 PolarHBondContact O-N 3.48Å; E400-E403 PolarHBondContact O-N 3.21Å; E403-K405 VanDerWaalsContact C-N 3.29Å; E403-K405 PolarHBondContact O-N 3.27Å; E403-Q406 WeakPolarHBondContact O-CB 3.42Å; E403-Q406 PolarHBondContact O-N 2.88Å; E403-Q406 VanDerWaalsContact O-N 3.11Å; E403-M407 WeakPolarHBondContact O-CG 3.29Å; E403-M407 PolarHBondContact O-N 3.41Å
404	I	76.9	Confident	71.2	Confident	38 Å²	38	95.7 Å²	95.7	20%	0.195	51%	0.508	C	S	.	.	H	α-helix	trans	-58.8	-41.5	173.3	-70.1	165.7	0	0	0	110.5	I396 E400 Q406 M407 I408 L413 P419	I396-I404 HydrophobicContact CD1-CD1 4.5Å; I396-I404 HydrophobicContact CG2-CD1 4.36Å; E400-I404 WeakPolarHBondContact O-CB 3.43Å; E400-I404 WeakPolarHBondContact O-CD1 3.49Å; E400-I404 VanDerWaalsContact O-CG1 3.23Å; E400-I404 WeakPolarHBondContact O-CG1 3.27Å; E400-I404 PolarHBondContact O-N 3.04Å; I404-Q406 VanDerWaalsContact C-N 3.33Å; I404-Q406 PolarHBondContact O-N 3.37Å; I404-M407 HydrophobicContact CG1-CE 4.45Å; I404-M407 PolarHBondContact O-N 3.25Å; I404-I408 HydrophobicContact CG2-CD1 3.82Å; I404-I408 HydrophobicContact CG2-CG1 4.46Å; I404-I408 WeakPolarHBondContact O-CB 3.21Å; I404-I408 VanDerWaalsContact O-CG1 3.28Å; I404-I408 WeakPolarHBondContact O-CG1 3.36Å; I404-I408 PolarHBondContact O-N 3.24Å; I404-L413 HydrophobicContact CG2-CD2 4.02Å; I404-P419 HydrophobicContact CD1-CG 3.97Å
405	K	74.7	Confident	72	Confident	154 Å²	154	96.7 Å²	96.7	67%	0.67	50%	0.501	S	S	*	.	H	α-helix	trans	-65	-34.2	176.4	-170.3	172.1	-176.2	174.2	0	112.6	K401 W402 E403 A409	K401-K405 WeakPolarHBondContact O-CB 3.36Å; K401-K405 PolarHBondContact O-N 3.33Å; W402-K405 WeakPolarHBondContact O-CB 3.33Å; W402-K405 PolarHBondContact O-N 2.61Å; W402-K405 VanDerWaalsContact O-N 3.17Å; E403-K405 VanDerWaalsContact C-N 3.29Å; E403-K405 PolarHBondContact O-N 3.27Å; K405-A409 WeakPolarHBondContact O-CB 3.43Å; K405-A409 PolarHBondContact O-N 3.34Å
406	Q	79.1	Confident	72.7	Confident	94 Å²	94	95.6 Å²	95.6	44%	0.439	50%	0.499	S	S	.	.	H	α-helix	trans	-70.5	-42.6	171.7	-65.6	-60.3	-24.1	0	0	112	W402 E403 I404 I408 A409 A410	W402-Q406 HydrophobicContact CD2-CG 4.06Å; W402-Q406 HydrophobicContact CE3-CG 3.94Å; W402-Q406 HydrophobicContact CH2-CG 3.78Å; W402-Q406 HydrophobicContact CZ2-CG 3.9Å; W402-Q406 HydrophobicContact CZ3-CG 3.8Å; W402-Q406 WeakPolarHBondContact O-CG 3.47Å; W402-Q406 PolarHBondContact O-N 3.19Å; E403-Q406 WeakPolarHBondContact O-CB 3.42Å; E403-Q406 PolarHBondContact O-N 2.88Å; E403-Q406 VanDerWaalsContact O-N 3.11Å; I404-Q406 VanDerWaalsContact C-N 3.33Å; I404-Q406 PolarHBondContact O-N 3.37Å; Q406-I408 VanDerWaalsContact C-N 3.32Å; Q406-I408 PolarHBondContact O-N 3.18Å; Q406-A409 PolarHBondContact O-N 2.94Å; Q406-A410 WeakPolarHBondContact O-CB 3.27Å; Q406-A410 PolarHBondContact O-N 2.88Å
407	M	77.6	Confident	72.8	Confident	75 Å²	75	98.4 Å²	98.4	37%	0.369	51%	0.511	S	S	.	.	H	α-helix	trans	-65.8	-33.8	177.5	-68.7	-164.1	-71	0	0	112.7	E403 I404 N411 V412 L413	E403-M407 WeakPolarHBondContact O-CG 3.29Å; E403-M407 PolarHBondContact O-N 3.41Å; I404-M407 HydrophobicContact CG1-CE 4.45Å; I404-M407 PolarHBondContact O-N 3.25Å; M407-N411 PolarHBondContact O-N 3.3Å; M407-V412 HydrophobicContact CB-CB 4.36Å; M407-V412 PolarHBondContact O-N 2.98Å; M407-L413 HydrophobicContact CB-CB 4.15Å; M407-L413 HydrophobicContact CE-CD1 4.31Å; M407-L413 PolarHBondContact O-N 3.5Å
408	I	76.9	Confident	72.8	Confident	66 Å²	66	98 Å²	98	34%	0.338	50%	0.502	S	S	.	.	H	α-helix	trans	-66.7	-47.1	169.6	-68.4	167.9	0	0	0	110.6	I404 Q406 A410 N411 L413 F418	I404-I408 HydrophobicContact CG2-CD1 3.82Å; I404-I408 HydrophobicContact CG2-CG1 4.46Å; I404-I408 WeakPolarHBondContact O-CB 3.21Å; I404-I408 VanDerWaalsContact O-CG1 3.28Å; I404-I408 WeakPolarHBondContact O-CG1 3.36Å; I404-I408 PolarHBondContact O-N 3.24Å; Q406-I408 VanDerWaalsContact C-N 3.32Å; Q406-I408 PolarHBondContact O-N 3.18Å; I408-A410 PolarHBondContact O-N 3.35Å; I408-N411 PolarHBondContact O-N 3.18Å; I408-L413 HydrophobicContact CG1-CB 4.31Å; I408-L413 HydrophobicContact CG1-CD2 4.16Å; I408-F418 HydrophobicContact CD1-CD1 4.43Å; I408-F418 HydrophobicContact CD1-CE1 4.07Å; I408-F418 HydrophobicContact CD1-CZ 4.13Å; I408-F418 HydrophobicContact CG1-CE1 3.83Å; I408-F418 HydrophobicContact CG1-CZ 4.06Å; I408-F418 HydrophobicContact CG2-CZ 4.46Å
409	A	74.3	Confident	73	Confident	82 Å²	82	94.5 Å²	94.5	68%	0.678	49%	0.487	S	S	*	.	H	α-helix	trans	-62.6	-29.5	178.2	0	0	0	0	0	113.3	K405 Q406 N411	K405-A409 WeakPolarHBondContact O-CB 3.43Å; K405-A409 PolarHBondContact O-N 3.34Å; Q406-A409 PolarHBondContact O-N 2.94Å; A409-N411 VanDerWaalsContact C-N 3.34Å
410	A	82.3	Confident	72.4	Confident	66 Å²	66	93 Å²	93	55%	0.545	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	0.1	174.4	0	0	0	0	0	114.2	Q406 I408 V412	Q406-A410 WeakPolarHBondContact O-CB 3.27Å; Q406-A410 PolarHBondContact O-N 2.88Å; I408-A410 PolarHBondContact O-N 3.35Å; A410-V412 HydrophobicContact CB-CG2 3.76Å; A410-V412 PolarHBondContact O-N 3.2Å
411	N	77.8	Confident	72	Confident	154 Å²	154	91.8 Å²	91.8	82%	0.824	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	25.6	-172.8	-98.8	-1.9	0	0	0	114	M407 I408 A409	M407-N411 PolarHBondContact O-N 3.3Å; I408-N411 PolarHBondContact O-N 3.18Å; A409-N411 VanDerWaalsContact C-N 3.34Å
412	V	79.3	Confident	71.4	Confident	102 Å²	102	88.7 Å²	88.7	62%	0.618	46%	0.456	S	S	*	.			trans	-83.3	-35.1	-179.8	173.5	0	0	0	0	111.5	M407 A410	M407-V412 HydrophobicContact CB-CB 4.36Å; M407-V412 PolarHBondContact O-N 2.98Å; A410-V412 HydrophobicContact CB-CG2 3.76Å; A410-V412 PolarHBondContact O-N 3.2Å
413	L	73.7	Confident	70.3	Confident	32 Å²	32	90.4 Å²	90.4	17%	0.168	47%	0.47	C	S	.	.	S	Bend	trans	-89.3	128.3	-179	-154.4	72	0	0	0	110.8	I404 M407 I408 E417 F418	I404-L413 HydrophobicContact CG2-CD2 4.02Å; M407-L413 HydrophobicContact CB-CB 4.15Å; M407-L413 HydrophobicContact CE-CD1 4.31Å; M407-L413 PolarHBondContact O-N 3.5Å; I408-L413 HydrophobicContact CG1-CB 4.31Å; I408-L413 HydrophobicContact CG1-CD2 4.16Å; L413-E417 HydrophobicContact CD1-CB 3.9Å; L413-E417 HydrophobicContact CG-CB 3.92Å; L413-F418 HydrophobicContact CD2-CD1 4.04Å; L413-F418 HydrophobicContact CD2-CE1 4.37Å; L413-F418 HydrophobicContact CG-CD1 4.45Å
414	S	70.2	Confident	69.1	Low	48 Å²	48	93.8 Å²	93.8	34%	0.336	49%	0.486	S	S	.	.			trans	-76.4	160.9	174.9	74.8	0	0	0	0	111.6	E416 E417 F418	S414-E416 PolarHBondContact O-N 3.38Å; S414-E417 VanDerWaalsContact CB-OE2 3.22Å; S414-E417 WeakPolarHBondContact CB-OE2 3.48Å; S414-E417 PolarHBondContact N-OE2 2.86Å; S414-E417 PolarHBondContact O-N 2.74Å; S414-E417 VanDerWaalsContact O-N 3.15Å; S414-E417 VanDerWaalsContact OG-CD 3.27Å; S414-E417 WeakPolarHBondContact OG-CG 3.3Å; S414-E417 PolarHBondContact OG-OE2 2.71Å; S414-F418 WeakPolarHBondContact O-CD1 3.48Å; S414-F418 VanDerWaalsContact O-CE1 3.28Å; S414-F418 WeakPolarHBondContact O-CE1 3.3Å
415	K	60.2	Low	68.1	Low	146 Å²	146	96.3 Å²	96.3	64%	0.635	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-65.5	-22.8	-178.8	-66.2	-177.1	179.8	-179.5	0	113.8	F418 F421	K415-F418 HydrophobicContact CG-CZ 4.38Å; K415-F421 VanDerWaalsContact O-CD2 3.25Å; K415-F421 WeakPolarHBondContact O-CD2 3.44Å; K415-F421 WeakPolarHBondContact O-CG 3.49Å
416	E	62.1	Low	67.8	Low	153 Å²	153	90 Å²	90	72%	0.715	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-80.8	-20.3	179.4	-69	151.8	-140.8	0	0	111.5	S414 F421	S414-E416 PolarHBondContact O-N 3.38Å; E416-F421 HydrophobicContact CB-CE1 4.32Å; E416-F421 HydrophobicContact CG-CE1 4.07Å; E416-F421 HydrophobicContact CG-CZ 4.04Å
417	E	66	Low	66.7	Low	117 Å²	117	89.5 Å²	89.5	55%	0.547	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-92.5	6.9	176	-65.8	163.2	127.4	0	0	112.7	L413 S414	L413-E417 HydrophobicContact CD1-CB 3.9Å; L413-E417 HydrophobicContact CG-CB 3.92Å; S414-E417 VanDerWaalsContact CB-OE2 3.22Å; S414-E417 WeakPolarHBondContact CB-OE2 3.48Å; S414-E417 PolarHBondContact N-OE2 2.86Å; S414-E417 PolarHBondContact O-N 2.74Å; S414-E417 VanDerWaalsContact O-N 3.15Å; S414-E417 VanDerWaalsContact OG-CD 3.27Å; S414-E417 WeakPolarHBondContact OG-CG 3.3Å; S414-E417 PolarHBondContact OG-OE2 2.71Å
418	F	67.4	Low	65.5	Low	47 Å²	47	90.6 Å²	90.6	21%	0.206	49%	0.488	C	S	.	.			trans	-73.4	131	176.6	-75.2	16.6	0	0	0	109.6	I408 L413 S414 K415 D420 F421 I427	I408-F418 HydrophobicContact CD1-CD1 4.43Å; I408-F418 HydrophobicContact CD1-CE1 4.07Å; I408-F418 HydrophobicContact CD1-CZ 4.13Å; I408-F418 HydrophobicContact CG1-CE1 3.83Å; I408-F418 HydrophobicContact CG1-CZ 4.06Å; I408-F418 HydrophobicContact CG2-CZ 4.46Å; L413-F418 HydrophobicContact CD2-CD1 4.04Å; L413-F418 HydrophobicContact CD2-CE1 4.37Å; L413-F418 HydrophobicContact CG-CD1 4.45Å; S414-F418 WeakPolarHBondContact O-CD1 3.48Å; S414-F418 VanDerWaalsContact O-CE1 3.28Å; S414-F418 WeakPolarHBondContact O-CE1 3.3Å; K415-F418 HydrophobicContact CG-CZ 4.38Å; F418-D420 PolarHBondContact O-N 2.81Å; F418-D420 VanDerWaalsContact O-N 3.07Å; F418-F421 HydrophobicContact CB-CB 4.15Å; F418-F421 WeakPolarHBondContact O-CB 3.47Å; F418-F421 PolarHBondContact O-N 3.16Å; F418-I427 HydrophobicContact CD2-CD1 3.57Å; F418-I427 HydrophobicContact CD2-CG1 4.13Å; F418-I427 HydrophobicContact CE2-CD1 3.75Å
419	P	64.9	Low	64.1	Low	58 Å²	58	92.9 Å²	92.9	38%	0.377	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.9	-178	-26.1	34.2	0	0	0	115.5	I396 I404	I396-P419 HydrophobicContact CD1-CB 3.59Å; I396-P419 HydrophobicContact CD1-CG 3.68Å; I404-P419 HydrophobicContact CD1-CG 3.97Å
420	D	61	Low	62.8	Low	54 Å²	54	94.2 Å²	94.2	29%	0.289	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	16.7	179.5	-53.8	-37.1	0	0	0	112.3	F418	F418-D420 PolarHBondContact O-N 2.81Å; F418-D420 VanDerWaalsContact O-N 3.07Å
421	F	62.1	Low	61	Low	71 Å²	71	95.7 Å²	95.7	31%	0.311	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.7	178.6	-173.6	-99.4	0	0	0	111.9	K415 E416 F418 I427	K415-F421 VanDerWaalsContact O-CD2 3.25Å; K415-F421 WeakPolarHBondContact O-CD2 3.44Å; K415-F421 WeakPolarHBondContact O-CG 3.49Å; E416-F421 HydrophobicContact CB-CE1 4.32Å; E416-F421 HydrophobicContact CG-CE1 4.07Å; E416-F421 HydrophobicContact CG-CZ 4.04Å; F418-F421 HydrophobicContact CB-CB 4.15Å; F418-F421 WeakPolarHBondContact O-CB 3.47Å; F418-F421 PolarHBondContact O-N 3.16Å; F421-I427 HydrophobicContact CD2-CG1 3.98Å
422	D	61	Low	59.4	Low	34 Å²	34	92 Å²	92	18%	0.182	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.7	-179.6	177.2	74.6	0	0	0	109.8	K391 E424 T425 G426 L428	K391-D422 IonicContact NZ-OD1 3.81Å; K391-D422 PolarHBondContact NZ-OD1 3.16Å; D422-E424 PolarHBondContact O-N 3.47Å; D422-T425 PolarHBondContact O-N 2.92Å; D422-T425 VanDerWaalsContact O-N 3.15Å; D422-T425 PolarHBondContact OD2-N 3.37Å; D422-T425 PolarHBondContact OD2-OG1 2.64Å; D422-G426 PolarHBondContact N-O 3.33Å; D422-G426 WeakPolarHBondContact O-CA 3.13Å; D422-G426 PolarHBondContact O-N 3.1Å; D422-L428 HydrophobicContact CB-CD1 4.14Å
423	E	50.9	Low	57.7	Low	194 Å²	194	91.2 Å²	91.2	91%	0.907	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.7	-168.7	-66.8	-172.4	137	0	0	114.5
424	E	53.7	Low	56.2	Low	185 Å²	185	96.9 Å²	96.9	86%	0.864	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-25.2	-179.4	-171	166.5	-158.6	0	0	113.1	D422	D422-E424 PolarHBondContact O-N 3.47Å
425	T	55.4	Low	54.9	Low	90 Å²	90	100.3 Å²	100.3	55%	0.552	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	-12	-172	58.1	0	0	0	0	115.4	D422	D422-T425 PolarHBondContact O-N 2.92Å; D422-T425 VanDerWaalsContact O-N 3.15Å; D422-T425 PolarHBondContact OD2-N 3.37Å; D422-T425 PolarHBondContact OD2-OG1 2.64Å
426	G	67.3	Low	54.1	Low	22 Å²	22	99 Å²	99	23%	0.227	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	81.1	-143.1	-177.2	0	0	0	0	0	112.7	D422	D422-G426 PolarHBondContact N-O 3.33Å; D422-G426 WeakPolarHBondContact O-CA 3.13Å; D422-G426 PolarHBondContact O-N 3.1Å
427	I	56.4	Low	53.5	Low	83 Å²	83	98 Å²	98	43%	0.426	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	114.1	174.1	-55.2	167.7	0	0	0	107.7	F418 F421	F418-I427 HydrophobicContact CD2-CD1 3.57Å; F418-I427 HydrophobicContact CD2-CG1 4.13Å; F418-I427 HydrophobicContact CE2-CD1 3.75Å; F421-I427 HydrophobicContact CD2-CG1 3.98Å
428	L	52.3	Low	53	Low	98 Å²	98	98.3 Å²	98.3	51%	0.513	51%	0.51	S	S	.	.			trans	-64.9	135.8	176.5	-81.3	95.8	0	0	0	111	D422 K430	D422-L428 HydrophobicContact CB-CD1 4.14Å; L428-K430 PolarHBondContact O-N 2.75Å
429	P	48.6	Very low	52.7	Low	114 Å²	114	98.5 Å²	98.5	74%	0.74	51%	0.513	S	S	*	.			trans	-66.9	120.6	171.1	28.4	-32.8	0	0	0	108.9	V431	P429-V431 PolarHBondContact O-N 2.75Å; P429-V431 VanDerWaalsContact O-N 3.13Å
430	K	46.9	Very low	52.7	Low	111 Å²	111	97 Å²	97	48%	0.483	50%	0.5	S	S	.	.			trans	-64.9	113.9	-178.6	-63.3	-167.1	177.4	-168.1	0	111.4	L428 D433	L428-K430 PolarHBondContact O-N 2.75Å; K430-D433 HydrophobicContact CB-CB 4.23Å; K430-D433 HydrophobicContact CD-CB 3.93Å; K430-D433 WeakPolarHBondContact CD-OD1 3.28Å; K430-D433 WeakPolarHBondContact CD-OD2 3.37Å; K430-D433 IonicContact NZ-OD1 2.66Å; K430-D433 PolarHBondContact NZ-OD1 3.15Å; K430-D433 IonicContact NZ-OD2 2.69Å; K430-D433 PolarHBondContact NZ-OD2 2.9Å
431	V	43.4	Very low	53.4	Low	97 Å²	97	95.6 Å²	95.6	59%	0.588	49%	0.493	S	S	*	.	S	Bend	trans	-92.2	-24.1	164.6	-170.8	0	0	0	0	110.4	P429	P429-V431 PolarHBondContact O-N 2.75Å; P429-V431 VanDerWaalsContact O-N 3.13Å
432	D	44.5	Very low	53.9	Low	75 Å²	75	95.2 Å²	95.2	40%	0.401	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-91.5	-8.9	-168.5	-56	5.5	0	0	0	113.4	R390 E434 E435	R390-D432 IonicContact CZ-OD1 2.78Å; R390-D432 IonicContact CZ-OD2 2.63Å; R390-D432 IonicContact NH1-OD1 2.91Å; R390-D432 PolarHBondContact NH1-OD1 3.5Å; R390-D432 IonicContact NH1-OD2 3.54Å; R390-D432 PolarHBondContact NH1-OD2 3.42Å; R390-D432 IonicContact NH2-OD1 2.97Å; R390-D432 PolarHBondContact NH2-OD1 3.39Å; D432-E434 PolarHBondContact O-N 3.18Å; D432-E435 PolarHBondContact O-N 3.17Å
433	D	43.2	Very low	54.6	Low	87 Å²	87	96.6 Å²	96.6	47%	0.465	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-69	-14.5	171.8	-102	21.3	0	0	0	111.6	K430	K430-D433 HydrophobicContact CB-CB 4.23Å; K430-D433 HydrophobicContact CD-CB 3.93Å; K430-D433 WeakPolarHBondContact CD-OD1 3.28Å; K430-D433 WeakPolarHBondContact CD-OD2 3.37Å; K430-D433 IonicContact NZ-OD1 2.66Å; K430-D433 PolarHBondContact NZ-OD1 3.15Å; K430-D433 IonicContact NZ-OD2 2.69Å; K430-D433 PolarHBondContact NZ-OD2 2.9Å
434	E	42.1	Very low	55.7	Low	150 Å²	150	89.6 Å²	89.6	70%	0.701	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-85.3	-1.3	169	-70.5	-172.9	-178.4	0	0	113.5	D432 R1173	D432-E434 PolarHBondContact O-N 3.18Å; E434-R1173 PolarHBondContact O-NH2 2.66Å
435	E	43.5	Very low	56.1	Low	120 Å²	120	87.6 Å²	87.6	56%	0.561	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-20.6	180	-59.6	-150.2	126.3	0	0	114.4	D432 R1173	D432-E435 PolarHBondContact O-N 3.17Å; E435-R1173 IonicContact OE1-NH1 3.93Å; E435-R1173 PolarHBondContact OE1-NH1 3.21Å
436	D	43.6	Very low	56.6	Low	119 Å²	119	91 Å²	91	64%	0.636	47%	0.47	S	S	*	.	S	Bend	trans	-94.6	8.6	174	-80.9	-23.9	0	0	0	112.1	K395	K395-D436 IonicContact NZ-OD1 2.7Å; K395-D436 IonicContact NZ-OD2 3.64Å; K395-D436 PolarHBondContact NZ-OD2 3.28Å
437	E	48.5	Very low	56.5	Low	131 Å²	131	91.8 Å²	91.8	61%	0.612	47%	0.468	S	S	*	.	S	Bend	trans	-78.3	125.9	168.6	-75.5	-157	159.9	0	0	111.8	L439	E437-L439 PolarHBondContact O-N 3.44Å
438	D	55.5	Low	57.2	Low	125 Å²	125	88.3 Å²	88.3	67%	0.668	45%	0.451	S	S	*	.			trans	-61.3	87.2	174.7	-93.9	-38.6	0	0	0	111.6	E440	D438-E440 VanDerWaalsContact C-N 3.27Å; D438-E440 PolarHBondContact O-N 3.22Å
439	L	61.7	Low	58.2	Low	51 Å²	51	86.4 Å²	86.4	27%	0.267	44%	0.444	S	S	.	.			trans	-65.5	80.5	176.5	-92	152.1	0	0	0	111.9	E437 P1172 R1173 V1185	E437-L439 PolarHBondContact O-N 3.44Å; L439-P1172 HydrophobicContact CB-CG 4.37Å; L439-R1173 HydrophobicContact CD1-CG 3.77Å; L439-R1173 VanDerWaalsContact CD1-NE 3.3Å; L439-V1185 HydrophobicContact CD2-CG1 3.89Å; L439-V1185 HydrophobicContact CD2-CG2 4.32Å
440	E	66.1	Low	59.5	Low	25 Å²	25	83.5 Å²	83.5	12%	0.117	42%	0.42	C	S	.	.			trans	-71.6	130.6	172.9	175.1	176.3	-149	0	0	110.3	D438 S1186 S1192 K1195	D438-E440 VanDerWaalsContact C-N 3.27Å; D438-E440 PolarHBondContact O-N 3.22Å; E440-S1186 WeakPolarHBondContact CB-OG 3.49Å; E440-S1186 PolarHBondContact O-N 2.86Å; E440-S1186 PolarHBondContact O-OG 3.22Å; E440-S1186 VanDerWaalsContact O-OG 3.12Å; E440-S1192 VanDerWaalsContact OE1-CB 3.23Å; E440-S1192 WeakPolarHBondContact OE1-CB 3.42Å; E440-S1192 PolarHBondContact OE1-OG 3.03Å; E440-K1195 IonicContact OE1-NZ 3.19Å; E440-K1195 WeakPolarHBondContact OE2-CD 3.46Å; E440-K1195 WeakPolarHBondContact OE2-CE 3.27Å; E440-K1195 IonicContact OE2-NZ 2.73Å; E440-K1195 PolarHBondContact OE2-NZ 3.42Å
441	I	74.1	Confident	60.6	Low	25 Å²	25	78.6 Å²	78.6	13%	0.128	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123	-178.8	-59.2	177.5	0	0	0	108	W1150 P1172 L1175 V1176 F1183 K1184	I441-W1150 HydrophobicContact CB-CH2 4.35Å; I441-W1150 HydrophobicContact CD1-CH2 4.08Å; I441-W1150 HydrophobicContact CD1-CZ3 4.16Å; I441-W1150 HydrophobicContact CG1-CH2 4.19Å; I441-P1172 HydrophobicContact CD1-CB 3.68Å; I441-P1172 WeakPolarHBondContact CD1-O 3.47Å; I441-P1172 HydrophobicContact CG1-CB 4.43Å; I441-L1175 HydrophobicContact CD1-CB 4.05Å; I441-L1175 HydrophobicContact CD1-CD1 3.93Å; I441-V1176 HydrophobicContact CD1-CG2 4.16Å; I441-V1176 HydrophobicContact CG1-CG2 4.27Å; I441-V1176 HydrophobicContact CG2-CG2 4.37Å; I441-F1183 HydrophobicContact CG2-CB 3.65Å; I441-F1183 HydrophobicContact CG2-CD1 3.48Å; I441-F1183 VanDerWaalsContact CG2-CD1 3.48Å; I441-F1183 HydrophobicContact CG2-CE1 4.38Å; I441-F1183 HydrophobicContact CG2-CG 3.83Å; I441-K1184 CarbonylContact C-O 3.56Å; I441-K1184 WeakPolarHBondContact CA-O 3.19Å
442	E	72.3	Confident	61.8	Low	64 Å²	64	82 Å²	82	30%	0.299	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	150.4	169.7	-69.4	-171.9	134.1	0	0	110.8	K1184 S1192	E442-K1184 PolarHBondContact N-O 3.32Å; E442-K1184 PolarHBondContact O-N 2.83Å; E442-S1192 WeakPolarHBondContact OE1-CA 3.32Å; E442-S1192 WeakPolarHBondContact OE1-CB 3.2Å
443	L	75.8	Confident	62.7	Low	63 Å²	63	80.2 Å²	80.2	33%	0.33	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	142.1	170.7	-71.7	163.5	0	0	0	110.6	E445 L1129 F1182 F1183	L443-E445 PolarHBondContact O-N 3.26Å; L443-L1129 WeakPolarHBondContact CD1-O 3.22Å; L443-F1182 WeakPolarHBondContact CA-O 3.48Å; L443-F1182 HydrophobicContact CD2-CD1 3.94Å; L443-F1182 HydrophobicContact CD2-CE1 3.41Å; L443-F1182 VanDerWaalsContact CD2-CE1 3.41Å; L443-F1182 HydrophobicContact CD2-CZ 3.75Å; L443-F1183 HydrophobicContact CD2-CD1 3.93Å; L443-F1183 HydrophobicContact CD2-CE1 3.56Å; L443-F1183 HydrophobicContact CD2-CZ 4.47Å
444	V	73.8	Confident	63.9	Low	46 Å²	46	81.4 Å²	81.4	28%	0.279	40%	0.403	S	S	.	.			trans	-82.2	107.9	173.1	179.5	0	0	0	0	109.1	E446 F1182 K1184	V444-E446 HydrophobicContact CG1-CB 4.07Å; V444-E446 HydrophobicContact CG1-CG 4.18Å; V444-E446 PolarHBondContact O-N 2.66Å; V444-F1182 PolarHBondContact N-O 3.08Å; V444-K1184 HydrophobicContact CG2-CB 4.12Å
445	E	63	Low	64.6	Low	144 Å²	144	75.3 Å²	75.3	67%	0.673	38%	0.376	S	S	*	.			trans	-78.8	13.4	-178.2	-62.9	179.1	167.3	0	0	114.4	L443 K1193	L443-E445 PolarHBondContact O-N 3.26Å; E445-K1193 IonicContact OE1-NZ 3.26Å; E445-K1193 PolarHBondContact OE1-NZ 2.84Å; E445-K1193 IonicContact OE2-NZ 2.86Å; E445-K1193 PolarHBondContact OE2-NZ 3.05Å
446	E	65.9	Low	65.2	Low	161 Å²	161	76.4 Å²	76.4	75%	0.752	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-85.9	120	-176	-63.5	-161.8	165.4	0	0	112.8	V444	V444-E446 HydrophobicContact CG1-CB 4.07Å; V444-E446 HydrophobicContact CG1-CG 4.18Å; V444-E446 PolarHBondContact O-N 2.66Å
447	E	65.1	Low	65.5	Low	39 Å²	39	77.4 Å²	77.4	18%	0.182	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-65.9	136.1	178	-77	170.7	-141.9	0	0	112.6	R452 G453 K456	E447-R452 HydrophobicContact CB-CG 4.24Å; E447-R452 WeakPolarHBondContact OE2-CA 3.4Å; E447-G453 PolarHBondContact OE2-N 3.49Å; E447-K456 WeakPolarHBondContact OE1-CE 3.5Å; E447-K456 WeakPolarHBondContact OE1-CG 3.13Å; E447-K456 IonicContact OE1-NZ 2.76Å; E447-K456 PolarHBondContact OE1-NZ 2.8Å
448	P	71.3	Confident	65.6	Low	10 Å²	10	72 Å²	72	7%	0.065	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-53.7	137.9	173.7	-26.4	35.3	0	0	0	111.8	F450 L451 R452 Y964	P448-F450 VanDerWaalsContact C-N 3.27Å; P448-F450 HydrophobicContact CB-CD1 4.18Å; P448-F450 HydrophobicContact CB-CE1 3.79Å; P448-F450 HydrophobicContact CB-CZ 4.25Å; P448-F450 PolarHBondContact O-N 2.96Å; P448-F450 VanDerWaalsContact O-N 3.1Å; P448-L451 HydrophobicContact CB-CB 4.47Å; P448-L451 HydrophobicContact CB-CD1 4.37Å; P448-L451 HydrophobicContact CB-CG 4.46Å; P448-L451 HydrophobicContact CG-CD1 4.19Å; P448-L451 PolarHBondContact O-N 3.31Å; P448-R452 PolarHBondContact O-N 2.91Å; P448-Y964 HydrophobicContact CB-CD1 3.79Å; P448-Y964 HydrophobicContact CB-CE1 3.65Å; P448-Y964 HydrophobicContact CB-CE2 4.45Å; P448-Y964 HydrophobicContact CB-CG 4.25Å; P448-Y964 HydrophobicContact CG-CD1 3.51Å; P448-Y964 HydrophobicContact CG-CE1 3.58Å; P448-Y964 HydrophobicContact CG-CG 4.3Å
449	P	72.7	Confident	65.4	Low	58 Å²	58	72 Å²	72	38%	0.377	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-52.1	-40.5	-171.8	-30.3	36.6	0	0	0	114.8	L451 D971	P449-L451 PolarHBondContact O-N 3.05Å; P449-D971 HydrophobicContact CG-CB 4.25Å
450	F	75.8	Confident	64.8	Low	52 Å²	52	76.6 Å²	76.6	23%	0.228	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-77.6	-8.3	179.7	68.8	-87.2	0	0	0	115.4	P448 M960 Y964 D970 D971	P448-F450 VanDerWaalsContact C-N 3.27Å; P448-F450 HydrophobicContact CB-CD1 4.18Å; P448-F450 HydrophobicContact CB-CE1 3.79Å; P448-F450 HydrophobicContact CB-CZ 4.25Å; P448-F450 PolarHBondContact O-N 2.96Å; P448-F450 VanDerWaalsContact O-N 3.1Å; F450-M960 HydrophobicContact CD2-CE 4.25Å; F450-M960 HydrophobicContact CE2-CB 4.39Å; F450-M960 HydrophobicContact CE2-CE 3.84Å; F450-Y964 AromaticContact CE1-CD2 3.63Å; F450-Y964 HydrophobicContact CE1-CD2 3.63Å; F450-Y964 HydrophobicContact CE1-CE2 4.13Å; F450-Y964 AromaticContact CE1-CG 3.98Å; F450-Y964 HydrophobicContact CE1-CG 3.98Å; F450-Y964 HydrophobicContact CZ-CD2 4.31Å; F450-Y964 HydrophobicContact CZ-CG 4.28Å; F450-D970 WeakPolarHBondContact CE1-O 3.28Å; F450-D971 WeakPolarHBondContact CD1-O 3.27Å
451	L	70.9	Confident	64.3	Low	9 Å²	9	80.7 Å²	80.7	5%	0.047	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-107.5	-4.4	177.7	-65.6	179.6	0	0	0	113.7	P448 P449 G453 H454 I957 E961	P448-L451 HydrophobicContact CB-CB 4.47Å; P448-L451 HydrophobicContact CB-CD1 4.37Å; P448-L451 HydrophobicContact CB-CG 4.46Å; P448-L451 HydrophobicContact CG-CD1 4.19Å; P448-L451 PolarHBondContact O-N 3.31Å; P449-L451 PolarHBondContact O-N 3.05Å; L451-G453 PolarHBondContact O-N 3.08Å; L451-G453 VanDerWaalsContact O-N 3.13Å; L451-H454 WeakPolarHBondContact O-CB 3.43Å; L451-H454 PolarHBondContact O-N 3.31Å; L451-I957 HydrophobicContact CD1-CG2 4.3Å; L451-I957 HydrophobicContact CD2-CG2 4.42Å; L451-E961 HydrophobicContact CD1-CB 4.24Å
452	R	69.5	Low	63.3	Low	169 Å²	169	83.8 Å²	83.8	64%	0.638	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	116.9	-170.7	-76.5	180	172.7	-171.4	-3.1	112.9	E447 P448	E447-R452 HydrophobicContact CB-CG 4.24Å; E447-R452 WeakPolarHBondContact OE2-CA 3.4Å; P448-R452 PolarHBondContact O-N 2.91Å
453	G	63.2	Low	62.7	Low	37 Å²	37	84.6 Å²	84.6	38%	0.381	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-15.3	178.8	0	0	0	0	0	115.7	E447 L451	E447-G453 PolarHBondContact OE2-N 3.49Å; L451-G453 PolarHBondContact O-N 3.08Å; L451-G453 VanDerWaalsContact O-N 3.13Å
454	H	66.8	Low	62.1	Low	112 Å²	112	84.4 Å²	84.4	52%	0.519	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-44.5	171.6	-71.8	-76.7	0	0	0	111.3	L451 K456 Q457 S458 I957	L451-H454 WeakPolarHBondContact O-CB 3.43Å; L451-H454 PolarHBondContact O-N 3.31Å; H454-K456 VanDerWaalsContact C-N 3.27Å; H454-K456 PolarHBondContact O-N 2.87Å; H454-Q457 PolarHBondContact O-N 3.41Å; H454-S458 PolarHBondContact O-N 3.18Å; H454-S458 PolarHBondContact O-OG 3.23Å; H454-I957 HydrophobicContact CB-CD1 4.19Å
455	T	58.3	Low	61.7	Low	21 Å²	21	89.7 Å²	89.7	13%	0.129	45%	0.454	C	S	.	.	H	α-helix	trans	-57.7	-37	-174.9	-43.8	0	0	0	0	113.2	S458 M459	T455-S458 WeakPolarHBondContact CA-OG 3.49Å; T455-S458 PolarHBondContact O-N 2.95Å; T455-S458 PolarHBondContact O-OG 3.3Å; T455-M459 PolarHBondContact O-N 3.03Å
456	K	54.8	Low	61.9	Low	144 Å²	144	84 Å²	84	63%	0.626	43%	0.428	S	S	*	.	H	α-helix	trans	-72.6	-25.8	177.6	-74	-177.4	169.1	96.3	0	113.8	E447 H454	E447-K456 WeakPolarHBondContact OE1-CE 3.5Å; E447-K456 WeakPolarHBondContact OE1-CG 3.13Å; E447-K456 IonicContact OE1-NZ 2.76Å; E447-K456 PolarHBondContact OE1-NZ 2.8Å; H454-K456 VanDerWaalsContact C-N 3.27Å; H454-K456 PolarHBondContact O-N 2.87Å
457	Q	50.1	Low	62.3	Low	140 Å²	140	78.2 Å²	78.2	65%	0.654	40%	0.403	S	S	*	.	H	α-helix	trans	-79.8	-32.6	174.9	-64.7	-178.5	7.1	0	0	111.8	H454 M459 D460	H454-Q457 PolarHBondContact O-N 3.41Å; Q457-M459 VanDerWaalsContact C-N 3.27Å; Q457-M459 PolarHBondContact O-N 2.94Å; Q457-D460 PolarHBondContact O-N 2.89Å
458	S	51.7	Low	62.7	Low	18 Å²	18	80.6 Å²	80.6	13%	0.126	41%	0.413	C	S	.	.	H	α-helix	trans	-66.8	-24.6	174.7	37.7	0	0	0	0	113.9	H454 T455 D460 M461	H454-S458 PolarHBondContact O-N 3.18Å; H454-S458 PolarHBondContact O-OG 3.23Å; T455-S458 WeakPolarHBondContact CA-OG 3.49Å; T455-S458 PolarHBondContact O-N 2.95Å; T455-S458 PolarHBondContact O-OG 3.3Å; S458-D460 VanDerWaalsContact C-N 3.27Å; S458-D460 PolarHBondContact O-N 3.18Å; S458-M461 PolarHBondContact O-N 3.43Å
459	M	51.2	Low	62.9	Low	124 Å²	124	83.4 Å²	83.4	61%	0.611	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-31.5	176.3	-77.9	-71.6	-179.3	0	0	113.4	T455 Q457 K870	T455-M459 PolarHBondContact O-N 3.03Å; Q457-M459 VanDerWaalsContact C-N 3.27Å; Q457-M459 PolarHBondContact O-N 2.94Å; M459-K870 PolarHBondContact O-NZ 2.98Å
460	D	49	Very low	62.7	Low	147 Å²	147	84.1 Å²	84.1	79%	0.786	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-11.4	-177.5	-72.1	-25.3	0	0	0	113.9	Q457 S458	Q457-D460 PolarHBondContact O-N 2.89Å; S458-D460 VanDerWaalsContact C-N 3.27Å; S458-D460 PolarHBondContact O-N 3.18Å
461	M	54.8	Low	62.7	Low	112 Å²	112	88 Å²	88	55%	0.552	46%	0.455	S	S	*	.	S	Bend	trans	-75	144.6	-177.3	-67	-64	-70.9	0	0	112.3	S458 K870	S458-M461 PolarHBondContact O-N 3.43Å; M461-K870 PolarHBondContact O-NZ 2.98Å
462	S	53	Low	63.2	Low	90 Å²	90	88 Å²	88	63%	0.629	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-77.4	139.1	174.7	62.4	0	0	0	0	111.5
463	P	60.6	Low	63.8	Low	80 Å²	80	81.6 Å²	81.6	52%	0.519	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-61.2	158.6	175.1	27.4	-35.5	0	0	0	112	K465	P463-K465 PolarHBondContact O-N 3.36Å
464	V	63.7	Low	64.8	Low	59 Å²	59	80.3 Å²	80.3	36%	0.358	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-57.3	122.4	-175.3	-178.4	0	0	0	0	111.3	I466 P952	V464-I466 HydrophobicContact CG1-CG1 4.46Å; V464-I466 PolarHBondContact O-N 3.07Å; V464-P952 HydrophobicContact CG2-CB 4.29Å; V464-P952 HydrophobicContact CG2-CG 3.33Å
465	K	63.6	Low	65.5	Low	158 Å²	158	75.4 Å²	75.4	69%	0.687	40%	0.402	S	S	*	.			trans	-72.1	94.2	173.5	-66.9	-172.9	179.2	-176	0	110.3	P463 V467	P463-K465 PolarHBondContact O-N 3.36Å; K465-V467 VanDerWaalsContact C-N 3.26Å
466	I	68.7	Low	66.6	Low	25 Å²	25	80.3 Å²	80.3	13%	0.128	42%	0.423	C	S	.	.			trans	-73.1	-21.6	176.6	-65.3	170.6	0	0	0	111.7	V464 V866 T879 L915 R924	V464-I466 HydrophobicContact CG1-CG1 4.46Å; V464-I466 PolarHBondContact O-N 3.07Å; I466-V866 HydrophobicContact CD1-CB 4.12Å; I466-V866 HydrophobicContact CD1-CG1 3.51Å; I466-V866 HydrophobicContact CD1-CG2 3.56Å; I466-T879 HydrophobicContact CG2-CG2 4Å; I466-L915 WeakPolarHBondContact O-CD1 3.33Å; I466-R924 HydrophobicContact CD1-CG 4Å; I466-R924 HydrophobicContact CG1-CG 4.17Å
467	V	73.6	Confident	67.9	Low	38 Å²	38	73.9 Å²	73.9	23%	0.23	40%	0.397	C	S	.	.	S	Bend	trans	-112.2	136.7	173.4	-170.5	0	0	0	0	109.4	K465 N469 S475 P880	K465-V467 VanDerWaalsContact C-N 3.26Å; V467-N469 WeakPolarHBondContact CG1-O 3.34Å; V467-S475 WeakPolarHBondContact CG1-OG 3.42Å; V467-P880 HydrophobicContact CG1-CG 4.39Å
468	K	72.9	Confident	69.4	Low	89 Å²	89	67.5 Å²	67.5	39%	0.387	37%	0.368	S	S	.	.	S	Bend	trans	-62.8	-51.8	-179.7	-167	-179.6	177.4	-167.9	0	111.7	R911 D912 E913 M914 L915	K468-R911 PolarHBondContact NZ-O 2.84Å; K468-D912 WeakPolarHBondContact CD-O 3.47Å; K468-D912 WeakPolarHBondContact CE-O 3.11Å; K468-D912 PolarHBondContact NZ-O 2.86Å; K468-E913 WeakPolarHBondContact CB-O 3.44Å; K468-M914 WeakPolarHBondContact CD-O 3.48Å; K468-M914 PolarHBondContact NZ-O 2.93Å; K468-L915 HydrophobicContact CB-CD2 3.86Å; K468-L915 HydrophobicContact CB-CG 4.4Å; K468-L915 HydrophobicContact CD-CD2 4.4Å; K468-L915 HydrophobicContact CG-CD2 4.23Å
469	N	75.3	Confident	70.7	Confident	70 Å²	70	73.3 Å²	73.3	37%	0.374	40%	0.395	S	S	.	.			trans	-120.9	103.5	177.2	-63.3	-8	0	0	0	109.1	V467 D471 G472 S475	V467-N469 WeakPolarHBondContact CG1-O 3.34Å; N469-D471 VanDerWaalsContact C-N 3.26Å; N469-D471 PolarHBondContact O-N 3.38Å; N469-G472 PolarHBondContact O-N 2.93Å; N469-S475 PolarHBondContact O-OG 3.23Å; N469-S475 VanDerWaalsContact O-OG 3.07Å
470	P	69.3	Low	72.1	Confident	73 Å²	73	71.7 Å²	71.7	47%	0.474	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-30.5	-178.8	25.9	-32.6	0	0	0	112.5	G472 S475	P470-G472 VanDerWaalsContact C-N 3.31Å; P470-G472 PolarHBondContact O-N 2.79Å; P470-S475 WeakPolarHBondContact O-CB 3.23Å; P470-S475 PolarHBondContact O-OG 3.4Å
471	D	76.3	Confident	73.4	Confident	132 Å²	132	65 Å²	65	71%	0.706	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	3.5	179.7	-43.4	-73.4	0	0	0	113.5	N469 Q476	N469-D471 VanDerWaalsContact C-N 3.26Å; N469-D471 PolarHBondContact O-N 3.38Å; D471-Q476 PolarHBondContact O-NE2 3.28Å
472	G	79.9	Confident	74.3	Confident	9 Å²	9	62.8 Å²	62.8	9%	0.093	35%	0.347	C	S	.	.	S	Bend	trans	-66.4	160.7	-177.5	0	0	0	0	0	114.4	N469 P470 L474 S475 Q476	N469-G472 PolarHBondContact O-N 2.93Å; P470-G472 VanDerWaalsContact C-N 3.31Å; P470-G472 PolarHBondContact O-N 2.79Å; G472-L474 VanDerWaalsContact C-N 3.3Å; G472-L474 PolarHBondContact O-N 2.93Å; G472-S475 WeakPolarHBondContact O-CB 3.3Å; G472-S475 PolarHBondContact O-N 2.66Å; G472-Q476 WeakPolarHBondContact O-CG 3.42Å; G472-Q476 PolarHBondContact O-N 2.92Å
473	S	83.7	Confident	75.4	Confident	35 Å²	35	61.4 Å²	61.4	25%	0.245	34%	0.341	C	S	.	.	H	α-helix	trans	-58.6	-38.9	-177.2	61.3	0	0	0	0	113.1	S475 Q476 A477 E913	S473-S475 VanDerWaalsContact C-N 3.35Å; S473-S475 PolarHBondContact O-N 3.44Å; S473-Q476 PolarHBondContact O-N 3.07Å; S473-A477 PolarHBondContact O-N 3.11Å; S473-A477 VanDerWaalsContact O-N 3.1Å; S473-E913 WeakPolarHBondContact CB-OE1 3.5Å; S473-E913 VanDerWaalsContact N-CD 3.29Å; S473-E913 PolarHBondContact N-OE1 3.05Å; S473-E913 PolarHBondContact N-OE2 3.22Å; S473-E913 VanDerWaalsContact OG-CD 3.3Å; S473-E913 PolarHBondContact OG-OE1 2.64Å; S473-E913 PolarHBondContact OG-OE2 3.09Å
474	L	83.1	Confident	76.3	Confident	10 Å²	10	59.4 Å²	59.4	5%	0.052	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-37.4	176.2	-65.2	172.5	0	0	0	112.1	G472 A477 A478 F861 P880 A909 E913 M914	G472-L474 VanDerWaalsContact C-N 3.3Å; G472-L474 PolarHBondContact O-N 2.93Å; L474-A477 PolarHBondContact O-N 3.23Å; L474-A478 PolarHBondContact O-N 2.92Å; L474-F861 HydrophobicContact CB-CE1 4.28Å; L474-F861 HydrophobicContact CB-CZ 4.33Å; L474-F861 HydrophobicContact CD2-CZ 4.06Å; L474-F861 VanDerWaalsContact O-CE1 3.24Å; L474-F861 WeakPolarHBondContact O-CE1 3.44Å; L474-F861 WeakPolarHBondContact O-CZ 3.37Å; L474-P880 HydrophobicContact CB-CB 4.3Å; L474-P880 HydrophobicContact CB-CG 3.84Å; L474-P880 HydrophobicContact CD1-CB 4.23Å; L474-A909 HydrophobicContact CD1-CB 4.06Å; L474-A909 HydrophobicContact CG-CB 4.18Å; L474-E913 WeakPolarHBondContact CB-OE2 3.37Å; L474-E913 HydrophobicContact CD1-CB 4.11Å; L474-E913 WeakPolarHBondContact CG-OE2 3.27Å; L474-E913 PolarHBondContact N-OE2 3.23Å; L474-M914 HydrophobicContact CD1-CE 3.72Å; L474-M914 HydrophobicContact CD1-CG 3.85Å
475	S	81.4	Confident	76.7	Confident	10 Å²	10	58.3 Å²	58.3	7%	0.07	32%	0.323	C	S	.	.	H	α-helix	trans	-68.3	-42.1	179.2	-55	0	0	0	0	111.6	V467 N469 P470 G472 S473 A478 M479	V467-S475 WeakPolarHBondContact CG1-OG 3.42Å; N469-S475 PolarHBondContact O-OG 3.23Å; N469-S475 VanDerWaalsContact O-OG 3.07Å; P470-S475 WeakPolarHBondContact O-CB 3.23Å; P470-S475 PolarHBondContact O-OG 3.4Å; G472-S475 WeakPolarHBondContact O-CB 3.3Å; G472-S475 PolarHBondContact O-N 2.66Å; S473-S475 VanDerWaalsContact C-N 3.35Å; S473-S475 PolarHBondContact O-N 3.44Å; S475-A478 PolarHBondContact O-N 3.49Å; S475-M479 PolarHBondContact O-N 3.24Å; S475-M479 VanDerWaalsContact O-N 3.12Å
476	Q	82.4	Confident	77.3	Confident	123 Å²	123	55.3 Å²	55.3	58%	0.575	31%	0.31	S	S	*	.	H	α-helix	trans	-62.7	-43.7	175.4	-64.3	-179.7	29.5	0	0	111.3	D471 G472 S473 A478 M479 M480	D471-Q476 PolarHBondContact O-NE2 3.28Å; G472-Q476 WeakPolarHBondContact O-CG 3.42Å; G472-Q476 PolarHBondContact O-N 2.92Å; S473-Q476 PolarHBondContact O-N 3.07Å; Q476-A478 PolarHBondContact O-N 2.88Å; Q476-M479 PolarHBondContact O-N 2.82Å; Q476-M480 WeakPolarHBondContact O-CB 3.38Å; Q476-M480 PolarHBondContact O-N 2.7Å
477	A	81	Confident	77.8	Confident	10 Å²	10	59.5 Å²	59.5	8%	0.083	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-38.5	175.4	0	0	0	0	0	113	S473 L474 M480 Q481 F861	S473-A477 PolarHBondContact O-N 3.11Å; S473-A477 VanDerWaalsContact O-N 3.1Å; L474-A477 PolarHBondContact O-N 3.23Å; A477-M480 PolarHBondContact O-N 3.34Å; A477-Q481 WeakPolarHBondContact O-CB 3.45Å; A477-Q481 PolarHBondContact O-N 3.44Å; A477-F861 HydrophobicContact CB-CZ 4.09Å
478	A	81.6	Confident	77.9	Confident	6 Å²	6	62 Å²	62	5%	0.05	33%	0.334	C	S	.	.	H	α-helix	trans	-64.3	-39.7	175.3	0	0	0	0	0	113	L474 S475 Q476 S482 F861 V878	L474-A478 PolarHBondContact O-N 2.92Å; S475-A478 PolarHBondContact O-N 3.49Å; Q476-A478 PolarHBondContact O-N 2.88Å; A478-S482 PolarHBondContact O-N 3.28Å; A478-S482 PolarHBondContact O-OG 3.4Å; A478-F861 HydrophobicContact CB-CD1 4.25Å; A478-F861 HydrophobicContact CB-CE1 3.89Å; A478-V878 HydrophobicContact CB-CB 4.34Å; A478-V878 HydrophobicContact CB-CG1 3.89Å
479	M	79.2	Confident	77.9	Confident	140 Å²	140	63.1 Å²	63.1	69%	0.69	34%	0.336	S	S	*	.	H	α-helix	trans	-68	-46.2	173.3	-66.4	-173.5	-172.5	0	0	111.4	S475 Q476 S482 A483	S475-M479 PolarHBondContact O-N 3.24Å; S475-M479 VanDerWaalsContact O-N 3.12Å; Q476-M479 PolarHBondContact O-N 2.82Å; M479-S482 WeakPolarHBondContact O-CB 3.28Å; M479-S482 PolarHBondContact O-N 2.98Å; M479-S482 VanDerWaalsContact O-N 3.14Å; M479-A483 PolarHBondContact O-N 2.87Å
480	M	80.2	Confident	78	Confident	90 Å²	90	64.7 Å²	64.7	44%	0.443	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-45.2	-179.1	-174.4	169.2	179	0	0	112.1	Q476 A477 S482 A483 L484 T756	Q476-M480 WeakPolarHBondContact O-CB 3.38Å; Q476-M480 PolarHBondContact O-N 2.7Å; A477-M480 PolarHBondContact O-N 3.34Å; M480-S482 PolarHBondContact O-N 3.06Å; M480-A483 WeakPolarHBondContact O-CB 3.38Å; M480-A483 PolarHBondContact O-N 3.31Å; M480-L484 HydrophobicContact CE-CD1 4.27Å; M480-L484 HydrophobicContact CG-CD1 4.05Å; M480-L484 HydrophobicContact CG-CG 4.31Å; M480-L484 WeakPolarHBondContact O-CG 3.47Å; M480-L484 PolarHBondContact O-N 2.99Å; M480-T756 HydrophobicContact SD-CG2 4.22Å
481	Q	77.6	Confident	78.5	Confident	5 Å²	5	64.5 Å²	64.5	2%	0.023	34%	0.338	C	S	.	.	H	α-helix	trans	-61.8	-33.5	175.4	-171.6	70.9	-100	0	0	112.1	A477 A483 L484 A485 D757 Y758	A477-Q481 WeakPolarHBondContact O-CB 3.45Å; A477-Q481 PolarHBondContact O-N 3.44Å; Q481-A483 VanDerWaalsContact C-N 3.26Å; Q481-A483 PolarHBondContact O-N 3.25Å; Q481-L484 PolarHBondContact O-N 2.55Å; Q481-A485 WeakPolarHBondContact O-CB 3.24Å; Q481-A485 PolarHBondContact O-N 2.94Å; Q481-D757 PolarHBondContact NE2-OD1 3.04Å; Q481-Y758 HydrophobicContact CB-CD1 4.29Å; Q481-Y758 HydrophobicContact CB-CE1 3.62Å; Q481-Y758 HydrophobicContact CG-CD1 4.35Å; Q481-Y758 HydrophobicContact CG-CE1 3.59Å
482	S	73.8	Confident	78.3	Confident	67 Å²	67	61.9 Å²	61.9	47%	0.469	32%	0.321	S	S	.	.	H	α-helix	trans	-65.5	-31.2	176.3	-58.5	0	0	0	0	112.2	A478 M479 M480	A478-S482 PolarHBondContact O-N 3.28Å; A478-S482 PolarHBondContact O-OG 3.4Å; M479-S482 WeakPolarHBondContact O-CB 3.28Å; M479-S482 PolarHBondContact O-N 2.98Å; M479-S482 VanDerWaalsContact O-N 3.14Å; M480-S482 PolarHBondContact O-N 3.06Å
483	A	76.6	Confident	77.9	Confident	61 Å²	61	65.9 Å²	65.9	50%	0.504	34%	0.337	S	S	.	.	H	α-helix	trans	-76.1	-47.5	170.5	0	0	0	0	0	112.4	M479 M480 Q481 A485 K486 E487	M479-A483 PolarHBondContact O-N 2.87Å; M480-A483 WeakPolarHBondContact O-CB 3.38Å; M480-A483 PolarHBondContact O-N 3.31Å; Q481-A483 VanDerWaalsContact C-N 3.26Å; Q481-A483 PolarHBondContact O-N 3.25Å; A483-A485 VanDerWaalsContact C-N 3.31Å; A483-A485 PolarHBondContact O-N 2.84Å; A483-K486 WeakPolarHBondContact O-CA 3.33Å; A483-K486 WeakPolarHBondContact O-CB 3.4Å; A483-K486 PolarHBondContact O-N 3.47Å; A483-E487 PolarHBondContact O-N 2.9Å
484	L	77.5	Confident	77.4	Confident	37 Å²	37	67.9 Å²	67.9	19%	0.194	35%	0.35	C	S	.	.	H	α-helix	trans	-60.8	-36.8	178.5	-68.1	172.4	0	0	0	112.5	M480 Q481 K486 E487 R488 D757	M480-L484 HydrophobicContact CE-CD1 4.27Å; M480-L484 HydrophobicContact CG-CD1 4.05Å; M480-L484 HydrophobicContact CG-CG 4.31Å; M480-L484 WeakPolarHBondContact O-CG 3.47Å; M480-L484 PolarHBondContact O-N 2.99Å; Q481-L484 PolarHBondContact O-N 2.55Å; L484-K486 VanDerWaalsContact C-N 3.33Å; L484-E487 PolarHBondContact O-N 3.23Å; L484-R488 VanDerWaalsContact O-CB 3.26Å; L484-R488 WeakPolarHBondContact O-CB 3.38Å; L484-R488 WeakPolarHBondContact O-CG 3.48Å; L484-R488 PolarHBondContact O-N 3.2Å; L484-D757 HydrophobicContact CD1-CB 4.36Å
485	A	72.3	Confident	77	Confident	36 Å²	36	72.6 Å²	72.6	30%	0.298	37%	0.372	S	S	.	.	H	α-helix	trans	-67.3	-33.1	175.2	0	0	0	0	0	112.4	Q481 A483 R489	Q481-A485 WeakPolarHBondContact O-CB 3.24Å; Q481-A485 PolarHBondContact O-N 2.94Å; A483-A485 VanDerWaalsContact C-N 3.31Å; A483-A485 PolarHBondContact O-N 2.84Å; A485-R489 WeakPolarHBondContact O-CB 3.48Å; A485-R489 PolarHBondContact O-N 2.96Å; A485-R489 VanDerWaalsContact O-N 3.16Å
486	K	76.5	Confident	76.4	Confident	96 Å²	96	78.4 Å²	78.4	42%	0.417	39%	0.392	S	S	.	.	H	α-helix	trans	-68.9	-48.4	171.6	-179.9	-165.5	161.8	-165.5	0	110.5	A483 L484 R488 R489 E490	A483-K486 WeakPolarHBondContact O-CA 3.33Å; A483-K486 WeakPolarHBondContact O-CB 3.4Å; A483-K486 PolarHBondContact O-N 3.47Å; L484-K486 VanDerWaalsContact C-N 3.33Å; K486-R488 PolarHBondContact O-N 2.92Å; K486-R489 WeakPolarHBondContact O-CA 3.42Å; K486-R489 WeakPolarHBondContact O-CB 3.34Å; K486-R489 PolarHBondContact O-N 2.92Å; K486-R489 VanDerWaalsContact O-N 3.1Å; K486-E490 VanDerWaalsContact CE-CD 3.4Å; K486-E490 WeakPolarHBondContact CE-OE1 3.24Å; K486-E490 WeakPolarHBondContact CE-OE2 3.31Å; K486-E490 IonicContact NZ-OE1 2.91Å; K486-E490 WeakPolarHBondContact O-CG 3.43Å; K486-E490 PolarHBondContact O-N 3.2Å
487	E	79.3	Confident	75.8	Confident	112 Å²	112	77.2 Å²	77.2	52%	0.523	39%	0.387	S	S	.	.	H	α-helix	trans	-58.6	-48.9	177.3	-175.9	-178.6	-179.6	0	0	111.5	A483 L484 R489 E490 V491	A483-E487 PolarHBondContact O-N 2.9Å; L484-E487 PolarHBondContact O-N 3.23Å; E487-R489 PolarHBondContact O-N 3.17Å; E487-E490 PolarHBondContact O-N 2.78Å; E487-E490 VanDerWaalsContact O-N 3.09Å; E487-V491 HydrophobicContact CG-CG2 4.43Å; E487-V491 WeakPolarHBondContact O-CB 3.36Å; E487-V491 WeakPolarHBondContact O-CG2 3.41Å; E487-V491 PolarHBondContact O-N 3.38Å
488	R	77.1	Confident	75.4	Confident	91 Å²	91	79.4 Å²	79.4	34%	0.343	41%	0.405	S	S	.	.	H	α-helix	trans	-55.3	-37.5	173.7	-76.8	168.4	161	151.2	-0.5	112.7	L484 K486 K492 D757	L484-R488 VanDerWaalsContact O-CB 3.26Å; L484-R488 WeakPolarHBondContact O-CB 3.38Å; L484-R488 WeakPolarHBondContact O-CG 3.48Å; L484-R488 PolarHBondContact O-N 3.2Å; K486-R488 PolarHBondContact O-N 2.92Å; R488-K492 VanDerWaalsContact O-CB 3.26Å; R488-K492 WeakPolarHBondContact O-CB 3.47Å; R488-K492 PolarHBondContact O-N 3.17Å; R488-D757 IonicContact CZ-OD2 3.38Å; R488-D757 IonicContact NH1-OD1 2.76Å; R488-D757 PolarHBondContact NH1-OD1 3.06Å; R488-D757 IonicContact NH1-OD2 3.55Å; R488-D757 PolarHBondContact NH1-OD2 3.16Å; R488-D757 IonicContact NH2-OD2 2.95Å; R488-D757 PolarHBondContact NH2-OD2 3.16Å
489	R	71.6	Confident	74.7	Confident	112 Å²	112	84.3 Å²	84.3	42%	0.423	43%	0.426	S	S	.	.	H	α-helix	trans	-70.5	-42.5	175.9	-172.1	-165.7	-67	174	-4.5	111.9	A485 K486 E487 K492 Q493 E786	A485-R489 WeakPolarHBondContact O-CB 3.48Å; A485-R489 PolarHBondContact O-N 2.96Å; A485-R489 VanDerWaalsContact O-N 3.16Å; K486-R489 WeakPolarHBondContact O-CA 3.42Å; K486-R489 WeakPolarHBondContact O-CB 3.34Å; K486-R489 PolarHBondContact O-N 2.92Å; K486-R489 VanDerWaalsContact O-N 3.1Å; E487-R489 PolarHBondContact O-N 3.17Å; R489-K492 CarbonylContact O-C 3.45Å; R489-K492 PolarHBondContact O-N 3.01Å; R489-Q493 WeakPolarHBondContact O-CB 3.46Å; R489-Q493 PolarHBondContact O-N 2.85Å; R489-E786 IonicContact CZ-OE2 3.17Å; R489-E786 IonicContact NE-OE2 2.63Å; R489-E786 IonicContact NH2-OE1 3.22Å; R489-E786 PolarHBondContact NH2-OE1 2.91Å; R489-E786 IonicContact NH2-OE2 2.64Å; R489-E786 PolarHBondContact NH2-OE2 2.88Å
490	E	77.7	Confident	73.8	Confident	104 Å²	104	83.2 Å²	83.2	49%	0.486	42%	0.421	S	S	.	.	H	α-helix	trans	-68.3	-42.3	178.7	-73	172.5	168.9	0	0	111.1	K486 E487 Q493 C494	K486-E490 VanDerWaalsContact CE-CD 3.4Å; K486-E490 WeakPolarHBondContact CE-OE1 3.24Å; K486-E490 WeakPolarHBondContact CE-OE2 3.31Å; K486-E490 IonicContact NZ-OE1 2.91Å; K486-E490 WeakPolarHBondContact O-CG 3.43Å; K486-E490 PolarHBondContact O-N 3.2Å; E487-E490 PolarHBondContact O-N 2.78Å; E487-E490 VanDerWaalsContact O-N 3.09Å; E490-Q493 PolarHBondContact O-N 3.13Å; E490-C494 WeakPolarHBondContact O-CB 3.43Å; E490-C494 PolarHBondContact O-N 3.04Å
491	V	79.1	Confident	72.8	Confident	69 Å²	69	84.2 Å²	84.2	42%	0.418	43%	0.428	S	S	.	.	H	α-helix	trans	-61.3	-49	170.8	172.9	0	0	0	0	111.1	E487 Q493 C494 Q495	E487-V491 HydrophobicContact CG-CG2 4.43Å; E487-V491 WeakPolarHBondContact O-CB 3.36Å; E487-V491 WeakPolarHBondContact O-CG2 3.41Å; E487-V491 PolarHBondContact O-N 3.38Å; V491-Q493 PolarHBondContact O-N 2.94Å; V491-C494 PolarHBondContact O-N 3.24Å; V491-Q495 HydrophobicContact CG1-CG 4.3Å; V491-Q495 WeakPolarHBondContact O-CB 3.45Å; V491-Q495 VanDerWaalsContact O-CG 3.3Å; V491-Q495 WeakPolarHBondContact O-CG 3.47Å; V491-Q495 PolarHBondContact O-N 2.93Å
492	K	73.3	Confident	72	Confident	77 Å²	77	88.1 Å²	88.1	34%	0.335	46%	0.456	S	S	.	.	H	α-helix	trans	-72.5	-5.3	177.1	-168.8	154.9	-175.2	163.1	0	113.5	R488 R489 R496 E793	R488-K492 VanDerWaalsContact O-CB 3.26Å; R488-K492 WeakPolarHBondContact O-CB 3.47Å; R488-K492 PolarHBondContact O-N 3.17Å; R489-K492 CarbonylContact O-C 3.45Å; R489-K492 PolarHBondContact O-N 3.01Å; K492-R496 VanDerWaalsContact O-CZ 3.24Å; K492-R496 PolarHBondContact O-NE 3.43Å; K492-R496 PolarHBondContact O-NH2 3.1Å; K492-E793 IonicContact NZ-OE1 2.81Å; K492-E793 PolarHBondContact NZ-OE1 3.4Å; K492-E793 IonicContact NZ-OE2 3.85Å; K492-E793 PolarHBondContact NZ-OE2 2.72Å
493	Q	71.4	Confident	71.2	Confident	92 Å²	92	89 Å²	89	43%	0.43	46%	0.455	S	S	.	.	H	α-helix	trans	-89.1	-53.2	165.6	176.4	166.2	-19.2	0	0	110.2	R489 E490 V491 Q495 R496 E497	R489-Q493 WeakPolarHBondContact O-CB 3.46Å; R489-Q493 PolarHBondContact O-N 2.85Å; E490-Q493 PolarHBondContact O-N 3.13Å; V491-Q493 PolarHBondContact O-N 2.94Å; Q493-Q495 PolarHBondContact O-N 3.16Å; Q493-R496 PolarHBondContact O-N 3.47Å; Q493-E497 HydrophobicContact CG-CG 4.39Å; Q493-E497 WeakPolarHBondContact CG-OE1 3.49Å; Q493-E497 PolarHBondContact NE2-OE1 3Å; Q493-E497 PolarHBondContact O-N 2.93Å
494	C	72.6	Confident	69.9	Low	78 Å²	78	91 Å²	91	53%	0.527	46%	0.463	S	S	.	.	H	α-helix	trans	-56.9	-35.1	176.4	-172.4	0	0	0	0	112.8	E490 V491 E497 A498	E490-C494 WeakPolarHBondContact O-CB 3.43Å; E490-C494 PolarHBondContact O-N 3.04Å; V491-C494 PolarHBondContact O-N 3.24Å; C494-E497 PolarHBondContact O-N 3.47Å; C494-A498 VanDerWaalsContact O-CB 3.22Å; C494-A498 WeakPolarHBondContact O-CB 3.48Å; C494-A498 PolarHBondContact O-N 2.86Å
495	Q	74.8	Confident	68.5	Low	109 Å²	109	96.1 Å²	96.1	51%	0.509	49%	0.487	S	S	.	.	H	α-helix	trans	-63.6	-44.2	172.6	-78.6	173.6	-24.9	0	0	112	V491 Q493 A498 E499	V491-Q495 HydrophobicContact CG1-CG 4.3Å; V491-Q495 WeakPolarHBondContact O-CB 3.45Å; V491-Q495 VanDerWaalsContact O-CG 3.3Å; V491-Q495 WeakPolarHBondContact O-CG 3.47Å; V491-Q495 PolarHBondContact O-N 2.93Å; Q493-Q495 PolarHBondContact O-N 3.16Å; Q495-A498 PolarHBondContact O-N 3.15Å; Q495-E499 WeakPolarHBondContact O-CB 3.28Å; Q495-E499 VanDerWaalsContact O-CG 3.27Å; Q495-E499 WeakPolarHBondContact O-CG 3.3Å; Q495-E499 PolarHBondContact O-N 3.48Å
496	R	69.3	Low	67.1	Low	132 Å²	132	96.8 Å²	96.8	50%	0.498	50%	0.497	S	S	.	.	H	α-helix	trans	-72.3	-32.4	177	-83.1	176.9	-65.2	125.2	10.1	112.6	K492 Q493 E499 M500	K492-R496 VanDerWaalsContact O-CZ 3.24Å; K492-R496 PolarHBondContact O-NE 3.43Å; K492-R496 PolarHBondContact O-NH2 3.1Å; Q493-R496 PolarHBondContact O-N 3.47Å; R496-E499 WeakPolarHBondContact CG-OE2 3.45Å; R496-E499 PolarHBondContact O-N 2.91Å; R496-M500 WeakPolarHBondContact O-CB 3.15Å; R496-M500 VanDerWaalsContact O-CG 3.22Å; R496-M500 WeakPolarHBondContact O-CG 3.43Å; R496-M500 PolarHBondContact O-N 2.74Å
497	E	68.5	Low	65.7	Low	98 Å²	98	97.3 Å²	97.3	46%	0.458	50%	0.504	S	S	.	.	H	α-helix	trans	-66.8	-44.1	172.6	-72.3	165	177.4	0	0	110.1	Q493 C494 M500 D501	Q493-E497 HydrophobicContact CG-CG 4.39Å; Q493-E497 WeakPolarHBondContact CG-OE1 3.49Å; Q493-E497 PolarHBondContact NE2-OE1 3Å; Q493-E497 PolarHBondContact O-N 2.93Å; C494-E497 PolarHBondContact O-N 3.47Å; E497-M500 PolarHBondContact O-N 3.43Å; E497-D501 WeakPolarHBondContact O-CB 3.34Å; E497-D501 PolarHBondContact O-N 3.37Å
498	A	73.4	Confident	64	Low	56 Å²	56	97.7 Å²	97.7	46%	0.463	51%	0.51	S	S	.	.	H	α-helix	trans	-65.2	-36.2	172	0	0	0	0	0	113.4	C494 Q495 D501 S502	C494-A498 VanDerWaalsContact O-CB 3.22Å; C494-A498 WeakPolarHBondContact O-CB 3.48Å; C494-A498 PolarHBondContact O-N 2.86Å; Q495-A498 PolarHBondContact O-N 3.15Å; A498-D501 PolarHBondContact O-N 3.3Å; A498-S502 VanDerWaalsContact O-CB 3.24Å; A498-S502 WeakPolarHBondContact O-CB 3.24Å; A498-S502 PolarHBondContact O-N 2.84Å
499	E	67.7	Low	62.5	Low	108 Å²	108	101.7 Å²	101.7	51%	0.505	53%	0.53	S	S	.	.	H	α-helix	trans	-62.2	-46	171.1	-78.2	169	172	0	0	110.8	Q495 R496 S502 I503	Q495-E499 WeakPolarHBondContact O-CB 3.28Å; Q495-E499 VanDerWaalsContact O-CG 3.27Å; Q495-E499 WeakPolarHBondContact O-CG 3.3Å; Q495-E499 PolarHBondContact O-N 3.48Å; R496-E499 WeakPolarHBondContact CG-OE2 3.45Å; R496-E499 PolarHBondContact O-N 2.91Å; E499-S502 PolarHBondContact O-N 2.83Å; E499-S502 PolarHBondContact O-OG 2.9Å; E499-I503 PolarHBondContact O-N 2.78Å
500	M	60.2	Low	61.1	Low	117 Å²	117	101.9 Å²	101.9	58%	0.576	54%	0.535	S	S	*	.	H	α-helix	trans	-64.6	-39.8	176.6	-69.2	-62.6	97.1	0	0	112.5	R496 E497 S502 I503	R496-M500 WeakPolarHBondContact O-CB 3.15Å; R496-M500 VanDerWaalsContact O-CG 3.22Å; R496-M500 WeakPolarHBondContact O-CG 3.43Å; R496-M500 PolarHBondContact O-N 2.74Å; E497-M500 PolarHBondContact O-N 3.43Å; M500-S502 VanDerWaalsContact C-N 3.32Å; M500-I503 HydrophobicContact CE-CD1 3.59Å; M500-I503 WeakPolarHBondContact O-CB 3.25Å; M500-I503 PolarHBondContact O-N 2.79Å; M500-I503 HydrophobicContact SD-CD1 4.15Å
501	D	59.5	Low	59.5	Low	112 Å²	112	107.6 Å²	107.6	60%	0.599	55%	0.552	S	S	*	*	H	α-helix	trans	-72.2	-24.6	175	-78.6	-17.2	0	0	0	112.8	E497 A498 I503	E497-D501 WeakPolarHBondContact O-CB 3.34Å; E497-D501 PolarHBondContact O-N 3.37Å; A498-D501 PolarHBondContact O-N 3.3Å; D501-I503 VanDerWaalsContact C-N 3.28Å; D501-I503 PolarHBondContact O-N 2.89Å
502	S	60.5	Low	57.9	Low	87 Å²	87	110.1 Å²	110.1	61%	0.608	57%	0.568	S	S	*	*	H	α-helix	trans	-73.3	-18.1	172.7	79.9	0	0	0	0	113.3	A498 E499 M500 P504	A498-S502 VanDerWaalsContact O-CB 3.24Å; A498-S502 WeakPolarHBondContact O-CB 3.24Å; A498-S502 PolarHBondContact O-N 2.84Å; E499-S502 PolarHBondContact O-N 2.83Å; E499-S502 PolarHBondContact O-OG 2.9Å; M500-S502 VanDerWaalsContact C-N 3.32Å; S502-P504 VanDerWaalsContact O-CD 3.29Å; S502-P504 WeakPolarHBondContact O-CD 3.4Å
503	I	56.8	Low	56.4	Low	86 Å²	86	110.8 Å²	110.8	44%	0.441	58%	0.575	S	S	.	*	S	Bend	trans	-71.4	117	170.3	-62.2	171.4	0	0	0	107.8	E499 M500 D501 M505	E499-I503 PolarHBondContact O-N 2.78Å; M500-I503 HydrophobicContact CE-CD1 3.59Å; M500-I503 WeakPolarHBondContact O-CB 3.25Å; M500-I503 PolarHBondContact O-N 2.79Å; M500-I503 HydrophobicContact SD-CD1 4.15Å; D501-I503 VanDerWaalsContact C-N 3.28Å; D501-I503 PolarHBondContact O-N 2.89Å; I503-M505 PolarHBondContact O-N 3.44Å; I503-M505 VanDerWaalsContact O-N 3.11Å
504	P	49.3	Very low	55.4	Low	102 Å²	102	111.9 Å²	111.9	66%	0.662	59%	0.59	S	S	*	*			trans	-59.1	119.9	-172	-27.1	36.3	0	0	0	113.1	S502 G506 L507	S502-P504 VanDerWaalsContact O-CD 3.29Å; S502-P504 WeakPolarHBondContact O-CD 3.4Å; P504-G506 PolarHBondContact O-N 2.76Å; P504-L507 PolarHBondContact O-N 3.03Å; P504-L507 VanDerWaalsContact O-N 3.12Å
505	M	47.7	Very low	54.1	Low	145 Å²	145	113.4 Å²	113.4	71%	0.714	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-5.9	-173.7	-66.9	-172.2	175.9	0	0	115.5	I503 L507	I503-M505 PolarHBondContact O-N 3.44Å; I503-M505 VanDerWaalsContact O-N 3.11Å; M505-L507 VanDerWaalsContact C-N 3.3Å; M505-L507 PolarHBondContact O-N 2.9Å
506	G	43.1	Very low	52.4	Low	49 Å²	49	109.8 Å²	109.8	51%	0.505	58%	0.579	S	S	.	*	H	α-helix	trans	-67.6	-22.8	171.2	0	0	0	0	0	114.8	P504 H510	P504-G506 PolarHBondContact O-N 2.76Å; G506-H510 PolarHBondContact O-ND1 3.03Å
507	L	46	Very low	51.6	Low	108 Å²	108	109.7 Å²	109.7	57%	0.565	59%	0.588	S	S	*	*	H	α-helix	trans	-74.3	-37.7	-176.1	-134.2	72.8	0	0	0	112.8	P504 M505 K509 H510	P504-L507 PolarHBondContact O-N 3.03Å; P504-L507 VanDerWaalsContact O-N 3.12Å; M505-L507 VanDerWaalsContact C-N 3.3Å; M505-L507 PolarHBondContact O-N 2.9Å; L507-K509 VanDerWaalsContact C-N 3.29Å; L507-K509 PolarHBondContact O-N 3.45Å; L507-H510 PolarHBondContact O-N 3.27Å
508	N	44.2	Very low	50.8	Low	120 Å²	120	109.5 Å²	109.5	64%	0.642	59%	0.593	S	S	*	*	H	α-helix	trans	-70.6	-26.5	-179	-125.6	-12.5	0	0	0	112.3	H510 W511	N508-H510 VanDerWaalsContact C-N 3.29Å; N508-H510 PolarHBondContact O-N 3.47Å; N508-W511 WeakPolarHBondContact O-CB 3.47Å; N508-W511 PolarHBondContact O-N 3.28Å; N508-W511 VanDerWaalsContact O-N 3.07Å
509	K	45.9	Very low	49.6	Very low	174 Å²	174	112.7 Å²	112.7	76%	0.757	60%	0.602	S	S	*	*	H	α-helix	trans	-66.7	-30.7	180	-149	174.1	-173	-179.8	0	112.8	L507 W511	L507-K509 VanDerWaalsContact C-N 3.29Å; L507-K509 PolarHBondContact O-N 3.45Å; K509-W511 VanDerWaalsContact C-N 3.32Å
510	H	42.8	Very low	48.8	Very low	116 Å²	116	108.5 Å²	108.5	54%	0.537	59%	0.589	S	S	.	*	H	α-helix	trans	-79.7	-10.1	173.5	-72.4	94	0	0	0	114.1	G506 L507 N508	G506-H510 PolarHBondContact O-ND1 3.03Å; L507-H510 PolarHBondContact O-N 3.27Å; N508-H510 VanDerWaalsContact C-N 3.29Å; N508-H510 PolarHBondContact O-N 3.47Å
511	W	42.9	Very low	48.4	Very low	224 Å²	224	109.2 Å²	109.2	85%	0.848	59%	0.585	S	S	*	*	H	α-helix	trans	-89.2	-16.4	177.3	-107.6	75.3	0	0	0	113.5	N508 K509	N508-W511 WeakPolarHBondContact O-CB 3.47Å; N508-W511 PolarHBondContact O-N 3.28Å; N508-W511 VanDerWaalsContact O-N 3.07Å; K509-W511 VanDerWaalsContact C-N 3.32Å
512	V	45.4	Very low	47.7	Very low	123 Å²	123	109.2 Å²	109.2	75%	0.745	58%	0.581	S	S	*	*	H	α-helix	trans	-104.5	-14.8	-177.2	-177.4	0	0	0	0	112.2
513	D	42.1	Very low	47	Very low	90 Å²	90	110.3 Å²	110.3	48%	0.481	58%	0.579	S	S	.	*			trans	-85.4	123.6	173.7	-162.6	-37.7	0	0	0	111.2	L515 P516	D513-L515 VanDerWaalsContact C-N 3.26Å; D513-L515 PolarHBondContact O-N 3.31Å; D513-L515 PolarHBondContact OD1-N 2.61Å; D513-P516 WeakPolarHBondContact O-CD 3.49Å
514	P	51.1	Low	46.5	Very low	116 Å²	116	108.8 Å²	108.8	75%	0.753	58%	0.579	S	S	*	*	S	Bend	trans	-74.4	-6.8	176	30.7	-35.7	0	0	0	114.7
515	L	44.2	Very low	46.4	Very low	109 Å²	109	106.5 Å²	106.5	57%	0.571	57%	0.569	S	S	*	*	S	Bend	trans	-131.4	74.8	169.6	-78.5	98.4	0	0	0	111.8	D513	D513-L515 VanDerWaalsContact C-N 3.26Å; D513-L515 PolarHBondContact O-N 3.31Å; D513-L515 PolarHBondContact OD1-N 2.61Å
516	P	39.5	Very low	46.1	Very low	34 Å²	34	104.7 Å²	104.7	22%	0.221	56%	0.562	C	S	.	*			trans	-63.4	144	163.3	30	-34.5	0	0	0	109.8	D513 R521	D513-P516 WeakPolarHBondContact O-CD 3.49Å; P516-R521 HydrophobicContact CG-CG 4.16Å; P516-R521 PolarHBondContact O-NE 3.39Å; P516-R521 PolarHBondContact O-NH2 3.21Å; P516-R521 VanDerWaalsContact O-NH2 3.08Å
517	D	53.1	Low	46.2	Very low	129 Å²	129	108 Å²	108	69%	0.69	57%	0.566	S	S	*	*			trans	-67.1	166.7	179.6	-150.6	-16.4	0	0	0	111.9	D519 G520 R521	D517-D519 PolarHBondContact O-N 2.92Å; D517-G520 WeakPolarHBondContact O-CA 3.47Å; D517-G520 PolarHBondContact O-N 3.41Å; D517-R521 PolarHBondContact O-N 3.16Å
518	V	51.3	Low	46.1	Very low	94 Å²	94	113 Å²	113	57%	0.57	58%	0.577	S	S	*	*	H	α-helix	trans	-58.9	-45.7	-167.9	-175.5	0	0	0	0	112	G520 R521 Q522	V518-G520 VanDerWaalsContact C-N 3.32Å; V518-G520 PolarHBondContact O-N 2.98Å; V518-R521 WeakPolarHBondContact O-CB 3.49Å; V518-R521 PolarHBondContact O-N 3.1Å; V518-R521 VanDerWaalsContact O-N 3.12Å; V518-Q522 PolarHBondContact O-N 2.69Å
519	D	48.4	Very low	45.8	Very low	123 Å²	123	110.5 Å²	110.5	66%	0.658	58%	0.58	S	S	*	*	H	α-helix	trans	-65.6	-34.9	176.5	-71.9	-34.1	0	0	0	112.5	D517 R521 Q522 I523	D517-D519 PolarHBondContact O-N 2.92Å; D519-R521 VanDerWaalsContact C-N 3.26Å; D519-R521 PolarHBondContact O-N 3.41Å; D519-Q522 WeakPolarHBondContact O-CB 3.4Å; D519-Q522 PolarHBondContact O-N 2.94Å; D519-Q522 VanDerWaalsContact O-N 3.12Å; D519-I523 WeakPolarHBondContact O-CG1 3.48Å; D519-I523 PolarHBondContact O-N 3.13Å
520	G	51.7	Low	45.5	Very low	21 Å²	21	108.8 Å²	108.8	22%	0.216	58%	0.578	C	S	.	*	H	α-helix	trans	-61.4	-35.6	172.9	0	0	0	0	0	112.2	D517 V518 A524	D517-G520 WeakPolarHBondContact O-CA 3.47Å; D517-G520 PolarHBondContact O-N 3.41Å; V518-G520 VanDerWaalsContact C-N 3.32Å; V518-G520 PolarHBondContact O-N 2.98Å; G520-A524 VanDerWaalsContact O-CB 3.26Å; G520-A524 WeakPolarHBondContact O-CB 3.38Å; G520-A524 PolarHBondContact O-N 3.23Å
521	R	50.9	Low	44.9	Very low	131 Å²	131	105.6 Å²	105.6	49%	0.494	58%	0.576	S	S	.	*	H	α-helix	trans	-71.6	-38.5	171.9	-60	176.7	-164.6	-152.3	-0.8	112	P516 D517 V518 D519 I523 A524 A525	P516-R521 HydrophobicContact CG-CG 4.16Å; P516-R521 PolarHBondContact O-NE 3.39Å; P516-R521 PolarHBondContact O-NH2 3.21Å; P516-R521 VanDerWaalsContact O-NH2 3.08Å; D517-R521 PolarHBondContact O-N 3.16Å; V518-R521 WeakPolarHBondContact O-CB 3.49Å; V518-R521 PolarHBondContact O-N 3.1Å; V518-R521 VanDerWaalsContact O-N 3.12Å; D519-R521 VanDerWaalsContact C-N 3.26Å; D519-R521 PolarHBondContact O-N 3.41Å; R521-I523 VanDerWaalsContact C-N 3.34Å; R521-A524 PolarHBondContact O-N 2.85Å; R521-A525 WeakPolarHBondContact O-CB 3.43Å; R521-A525 PolarHBondContact O-N 2.64Å
522	Q	46	Very low	44.4	Very low	113 Å²	113	103.3 Å²	103.3	53%	0.528	58%	0.577	S	S	.	*	H	α-helix	trans	-60.6	-45.4	176.5	-147.2	77	0.1	0	0	110.7	V518 D519 A525 N526	V518-Q522 PolarHBondContact O-N 2.69Å; D519-Q522 WeakPolarHBondContact O-CB 3.4Å; D519-Q522 PolarHBondContact O-N 2.94Å; D519-Q522 VanDerWaalsContact O-N 3.12Å; Q522-A525 PolarHBondContact O-N 2.7Å; Q522-N526 WeakPolarHBondContact O-CB 3.47Å; Q522-N526 PolarHBondContact O-N 2.62Å; Q522-N526 PolarHBondContact O-ND2 2.61Å
523	I	45.4	Very low	43.6	Very low	110 Å²	110	105 Å²	105	56%	0.564	58%	0.579	S	S	*	*	H	α-helix	trans	-64.6	-48.7	175.9	-65.3	164.7	0	0	0	110.6	D519 R521 A525 N526 M527	D519-I523 WeakPolarHBondContact O-CG1 3.48Å; D519-I523 PolarHBondContact O-N 3.13Å; R521-I523 VanDerWaalsContact C-N 3.34Å; I523-A525 VanDerWaalsContact C-N 3.29Å; I523-A525 PolarHBondContact O-N 2.78Å; I523-N526 PolarHBondContact O-N 3.16Å; I523-M527 PolarHBondContact O-N 2.89Å
524	A	45.8	Very low	43.4	Very low	54 Å²	54	105.5 Å²	105.5	45%	0.446	59%	0.587	S	S	.	*	H	α-helix	trans	-67	-25.5	178.9	0	0	0	0	0	114	G520 R521 R528	G520-A524 VanDerWaalsContact O-CB 3.26Å; G520-A524 WeakPolarHBondContact O-CB 3.38Å; G520-A524 PolarHBondContact O-N 3.23Å; R521-A524 PolarHBondContact O-N 2.85Å; A524-R528 PolarHBondContact O-N 3.12Å
525	A	46.7	Very low	43	Very low	54 Å²	54	106 Å²	106	45%	0.446	59%	0.588	S	S	.	*	H	α-helix	trans	-79.7	-39.9	173.6	0	0	0	0	0	111.7	R521 Q522 I523 R528 G529	R521-A525 WeakPolarHBondContact O-CB 3.43Å; R521-A525 PolarHBondContact O-N 2.64Å; Q522-A525 PolarHBondContact O-N 2.7Å; I523-A525 VanDerWaalsContact C-N 3.29Å; I523-A525 PolarHBondContact O-N 2.78Å; A525-R528 CarbonylContact O-C 3.58Å; A525-R528 WeakPolarHBondContact O-CA 3.47Å; A525-R528 VanDerWaalsContact O-CB 3.27Å; A525-R528 WeakPolarHBondContact O-CB 3.49Å; A525-R528 PolarHBondContact O-N 2.91Å; A525-G529 PolarHBondContact O-N 3.26Å
526	N	42.3	Very low	43.1	Very low	107 Å²	107	104.5 Å²	104.5	57%	0.572	58%	0.581	S	S	*	*	H	α-helix	trans	-65.7	-38.1	174	-70.4	-15.3	0	0	0	111.4	Q522 I523 R528 G529 I530	Q522-N526 WeakPolarHBondContact O-CB 3.47Å; Q522-N526 PolarHBondContact O-N 2.62Å; Q522-N526 PolarHBondContact O-ND2 2.61Å; I523-N526 PolarHBondContact O-N 3.16Å; N526-R528 PolarHBondContact O-N 3.3Å; N526-G529 PolarHBondContact O-N 3.3Å; N526-G529 VanDerWaalsContact O-N 3.12Å; N526-I530 PolarHBondContact O-N 3.14Å
527	M	44.6	Very low	44	Very low	117 Å²	117	106.9 Å²	106.9	58%	0.576	59%	0.591	S	S	*	*	H	α-helix	trans	-68.2	-12.5	166.7	-92.4	-173.2	161.3	0	0	114.4	I523	I523-M527 PolarHBondContact O-N 2.89Å
528	R	44.8	Very low	44.3	Very low	213 Å²	213	103.1 Å²	103.1	80%	0.804	57%	0.573	S	S	*	*	H	α-helix	trans	-87.1	-23.5	169.3	-157.1	-179.3	-64.7	-164.8	-1.2	111.9	A524 A525 N526	A524-R528 PolarHBondContact O-N 3.12Å; A525-R528 CarbonylContact O-C 3.58Å; A525-R528 WeakPolarHBondContact O-CA 3.47Å; A525-R528 VanDerWaalsContact O-CB 3.27Å; A525-R528 WeakPolarHBondContact O-CB 3.49Å; A525-R528 PolarHBondContact O-N 2.91Å; N526-R528 PolarHBondContact O-N 3.3Å
529	G	36.4	Very low	44.9	Very low	68 Å²	68	103.2 Å²	103.2	70%	0.701	57%	0.567	S	S	*	*	H	α-helix	trans	-79.8	-40.5	171.4	0	0	0	0	0	113.1	A525 N526 G531	A525-G529 PolarHBondContact O-N 3.26Å; N526-G529 PolarHBondContact O-N 3.3Å; N526-G529 VanDerWaalsContact O-N 3.12Å; G529-G531 PolarHBondContact O-N 3.18Å
530	I	40.8	Very low	45.9	Very low	139 Å²	139	98 Å²	98	71%	0.713	54%	0.539	S	S	*	.	S	Bend	trans	-79.3	77.2	163.4	-53.8	175.7	0	0	0	106.9	N526 M532	N526-I530 PolarHBondContact O-N 3.14Å; I530-M532 PolarHBondContact O-N 3.12Å
531	G	30.1	Very low	46.7	Very low	49 Å²	49	98.7 Å²	98.7	51%	0.505	54%	0.535	S	S	.	.			trans	-50.6	125.5	-174.2	0	0	0	0	0	111.2	G529 M533	G529-G531 PolarHBondContact O-N 3.18Å; G531-M533 PolarHBondContact O-N 2.8Å
532	M	31.7	Very low	47.4	Very low	176 Å²	176	96.8 Å²	96.8	87%	0.867	53%	0.531	S	S	*	.			trans	-51.9	109.8	167.8	-74	-179.9	69	0	0	107.4	I530	I530-M532 PolarHBondContact O-N 3.12Å
533	M	28.2	Very low	48.2	Very low	159 Å²	159	95.8 Å²	95.8	78%	0.783	53%	0.526	S	S	*	.			trans	-50.3	134.5	169.5	-70.1	-67.7	-162.9	0	0	106.9	G531 T535	G531-M533 PolarHBondContact O-N 2.8Å; M533-T535 PolarHBondContact O-N 3.42Å
534	P	37.6	Very low	48.9	Very low	99 Å²	99	90.8 Å²	90.8	64%	0.643	50%	0.501	S	S	*	.			trans	-54.7	124.6	160.9	26.6	-31.6	0	0	0	105.6	D536	P534-D536 PolarHBondContact O-N 3.02Å
535	T	43.2	Very low	49.9	Very low	126 Å²	126	91.2 Å²	91.2	77%	0.773	49%	0.493	S	S	*	.			trans	-75.1	63.8	171.5	34.3	0	0	0	0	109.2	M533	M533-T535 PolarHBondContact O-N 3.42Å
536	D	47.5	Very low	49.8	Very low	79 Å²	79	91.3 Å²	91.3	42%	0.422	50%	0.499	S	S	.	.				34.1	101.5	129.7	-80.1	-2.9	0	0	0	114.9	P534 P538 K542	P534-D536 PolarHBondContact O-N 3.02Å; D536-P538 VanDerWaalsContact O-N 3.11Å; D536-K542 VanDerWaalsContact CG-CE 3.4Å; D536-K542 WeakPolarHBondContact OD1-CE 3.43Å; D536-K542 IonicContact OD1-NZ 2.79Å; D536-K542 PolarHBondContact OD1-NZ 3.33Å; D536-K542 IonicContact OD2-NZ 3.26Å; D536-K542 PolarHBondContact OD2-NZ 2.99Å
537	I	56.7	Low	50	Low	84 Å²	84	88.8 Å²	88.8	43%	0.431	50%	0.498	S	S	.	.	S	Bend	trans	-23.6	117.2	137.8	-62	168.5	0	0	0	107.8	K541 K542	I537-K541 HydrophobicContact CG2-CB 3.44Å; I537-K541 VanDerWaalsContact CG2-CB 3.44Å; I537-K542 HydrophobicContact CB-CG 4.23Å; I537-K542 HydrophobicContact CG2-CG 4.22Å; I537-K542 WeakPolarHBondContact O-CG 3.43Å
538	P	61	Low	49.9	Very low	50 Å²	50	91.2 Å²	91.2	33%	0.325	51%	0.513	S	S	.	.			trans	-46.7	143.2	-172.1	-33.6	35.1	0	0	0	112.3	D536 W540 K541 K542	D536-P538 VanDerWaalsContact O-N 3.11Å; P538-W540 HydrophobicContact CB-CG 4.47Å; P538-W540 PolarHBondContact O-N 3.02Å; P538-K541 CarbonylContact O-C 3.49Å; P538-K541 VanDerWaalsContact O-CA 3.31Å; P538-K541 WeakPolarHBondContact O-CA 3.49Å; P538-K541 WeakPolarHBondContact O-CB 3.45Å; P538-K541 PolarHBondContact O-N 3.47Å; P538-K542 PolarHBondContact O-N 2.94Å
539	E	63.9	Low	49.7	Very low	96 Å²	96	91.3 Å²	91.3	45%	0.449	52%	0.52	S	S	.	.	H	α-helix	trans	-51.3	-39.6	-172.7	-63.4	172.9	143.9	0	0	112.2	K541 K542 H543 Y796 K800	E539-K541 VanDerWaalsContact C-N 3.35Å; E539-K541 PolarHBondContact O-N 2.79Å; E539-K542 WeakPolarHBondContact O-CB 3.3Å; E539-K542 PolarHBondContact O-N 3.3Å; E539-H543 PolarHBondContact O-N 3.3Å; E539-Y796 HydrophobicContact CB-CE1 3.74Å; E539-Y796 WeakPolarHBondContact CB-OH 3.37Å; E539-K800 VanDerWaalsContact CD-NZ 3.3Å; E539-K800 IonicContact OE1-NZ 2.79Å; E539-K800 PolarHBondContact OE1-NZ 3.44Å; E539-K800 VanDerWaalsContact OE1-NZ 3.17Å; E539-K800 IonicContact OE2-NZ 2.68Å; E539-K800 PolarHBondContact OE2-NZ 2.9Å
540	W	69.4	Low	50.1	Low	13 Å²	13	90.2 Å²	90.2	5%	0.049	50%	0.504	C	S	.	.	H	α-helix	trans	-60.4	-38.9	173.9	78.9	-105.9	0	0	0	113.6	P538 H543 A544 D789 C792 Y796 P813	P538-W540 HydrophobicContact CB-CG 4.47Å; P538-W540 PolarHBondContact O-N 3.02Å; W540-H543 PolarHBondContact O-N 2.71Å; W540-A544 VanDerWaalsContact O-CB 3.26Å; W540-A544 WeakPolarHBondContact O-CB 3.37Å; W540-A544 PolarHBondContact O-N 2.83Å; W540-D789 VanDerWaalsContact CZ2-O 3.25Å; W540-D789 WeakPolarHBondContact CZ2-O 3.42Å; W540-C792 HydrophobicContact CD2-CB 3.99Å; W540-C792 HydrophobicContact CE3-CB 3.69Å; W540-C792 HydrophobicContact CH2-CB 3.36Å; W540-C792 HydrophobicContact CZ2-CB 3.68Å; W540-C792 HydrophobicContact CZ3-CB 3.39Å; W540-Y796 HydrophobicContact CB-CD1 3.86Å; W540-Y796 HydrophobicContact CB-CD2 3.58Å; W540-Y796 HydrophobicContact CB-CE1 4.37Å; W540-Y796 HydrophobicContact CB-CE2 4.13Å; W540-Y796 HydrophobicContact CB-CG 3.43Å; W540-Y796 VanDerWaalsContact CB-CG 3.43Å; W540-Y796 HydrophobicContact CG-CG 4.47Å; W540-P813 HydrophobicContact CZ3-CG 4.21Å
541	K	68.4	Low	50	Low	35 Å²	35	87.1 Å²	87.1	15%	0.152	50%	0.495	C	S	.	.	H	α-helix	trans	-72.2	-37.1	174.1	-72.9	-168.5	174	-161.5	0	111.9	I537 P538 E539 H543 A544 F545 D789	I537-K541 HydrophobicContact CG2-CB 3.44Å; I537-K541 VanDerWaalsContact CG2-CB 3.44Å; P538-K541 CarbonylContact O-C 3.49Å; P538-K541 VanDerWaalsContact O-CA 3.31Å; P538-K541 WeakPolarHBondContact O-CA 3.49Å; P538-K541 WeakPolarHBondContact O-CB 3.45Å; P538-K541 PolarHBondContact O-N 3.47Å; E539-K541 VanDerWaalsContact C-N 3.35Å; E539-K541 PolarHBondContact O-N 2.79Å; K541-H543 VanDerWaalsContact C-N 3.29Å; K541-H543 PolarHBondContact O-N 2.58Å; K541-A544 PolarHBondContact O-N 3.36Å; K541-F545 HydrophobicContact CB-CD2 3.94Å; K541-F545 HydrophobicContact CB-CE2 3.65Å; K541-F545 HydrophobicContact CB-CZ 4.48Å; K541-F545 HydrophobicContact CD-CE2 3.95Å; K541-F545 HydrophobicContact CG-CE2 3.8Å; K541-F545 HydrophobicContact CG-CZ 4.28Å; K541-F545 VanDerWaalsContact O-CB 3.27Å; K541-F545 WeakPolarHBondContact O-CB 3.2Å; K541-F545 WeakPolarHBondContact O-CD2 3.24Å; K541-F545 WeakPolarHBondContact O-CG 3.07Å; K541-F545 PolarHBondContact O-N 3.29Å; K541-D789 IonicContact NZ-OD1 3.31Å; K541-D789 IonicContact NZ-OD2 3.75Å; K541-D789 PolarHBondContact NZ-OD2 3.34Å
542	K	66.1	Low	50.7	Low	91 Å²	91	92.8 Å²	92.8	40%	0.396	50%	0.502	S	S	.	.	H	α-helix	trans	-58.3	-43.8	169.5	-80	179	171.5	-168.3	0	110.9	D536 I537 P538 E539 F545 G546	D536-K542 VanDerWaalsContact CG-CE 3.4Å; D536-K542 WeakPolarHBondContact OD1-CE 3.43Å; D536-K542 IonicContact OD1-NZ 2.79Å; D536-K542 PolarHBondContact OD1-NZ 3.33Å; D536-K542 IonicContact OD2-NZ 3.26Å; D536-K542 PolarHBondContact OD2-NZ 2.99Å; I537-K542 HydrophobicContact CB-CG 4.23Å; I537-K542 HydrophobicContact CG2-CG 4.22Å; I537-K542 WeakPolarHBondContact O-CG 3.43Å; P538-K542 PolarHBondContact O-N 2.94Å; E539-K542 WeakPolarHBondContact O-CB 3.3Å; E539-K542 PolarHBondContact O-N 3.3Å; K542-F545 PolarHBondContact O-N 3.46Å; K542-G546 WeakPolarHBondContact O-CA 3.39Å; K542-G546 PolarHBondContact O-N 3.48Å
543	H	62	Low	51.5	Low	93 Å²	93	86.8 Å²	86.8	43%	0.431	49%	0.485	S	S	.	.	H	α-helix	trans	-67.6	-46.7	178.7	-149.2	-121.2	0	0	0	112.1	E539 W540 K541 F545 E808 R825	E539-H543 PolarHBondContact O-N 3.3Å; W540-H543 PolarHBondContact O-N 2.71Å; K541-H543 VanDerWaalsContact C-N 3.29Å; K541-H543 PolarHBondContact O-N 2.58Å; H543-F545 VanDerWaalsContact C-N 3.27Å; H543-F545 PolarHBondContact O-N 3.28Å; H543-E808 IonicContact CE1-OE1 3.15Å; H543-E808 PolarHBondContact CE1-OE1 3.04Å; H543-E808 IonicContact NE2-OE1 3.54Å; H543-R825 PolarHBondContact O-NH1 3.2Å
544	A	60.4	Low	52.3	Low	5 Å²	5	85.1 Å²	85.1	4%	0.041	47%	0.473	C	S	.	.	H	α-helix	trans	-65.2	-22.7	177.5	0	0	0	0	0	114.1	W540 K541 L812 R825	W540-A544 VanDerWaalsContact O-CB 3.26Å; W540-A544 WeakPolarHBondContact O-CB 3.37Å; W540-A544 PolarHBondContact O-N 2.83Å; K541-A544 PolarHBondContact O-N 3.36Å; A544-L812 HydrophobicContact CB-CD2 4.32Å; A544-R825 WeakPolarHBondContact O-CD 3.45Å; A544-R825 PolarHBondContact O-NH1 2.76Å
545	F	65.8	Low	52.8	Low	63 Å²	63	89.8 Å²	89.8	28%	0.276	48%	0.484	S	S	.	.	H	α-helix	trans	-116.2	-14.6	-176.6	-51	-34.3	0	0	0	115.4	K541 K542 H543 G547 M822	K541-F545 HydrophobicContact CB-CD2 3.94Å; K541-F545 HydrophobicContact CB-CE2 3.65Å; K541-F545 HydrophobicContact CB-CZ 4.48Å; K541-F545 HydrophobicContact CD-CE2 3.95Å; K541-F545 HydrophobicContact CG-CE2 3.8Å; K541-F545 HydrophobicContact CG-CZ 4.28Å; K541-F545 VanDerWaalsContact O-CB 3.27Å; K541-F545 WeakPolarHBondContact O-CB 3.2Å; K541-F545 WeakPolarHBondContact O-CD2 3.24Å; K541-F545 WeakPolarHBondContact O-CG 3.07Å; K541-F545 PolarHBondContact O-N 3.29Å; K542-F545 PolarHBondContact O-N 3.46Å; H543-F545 VanDerWaalsContact C-N 3.27Å; H543-F545 PolarHBondContact O-N 3.28Å; F545-G547 PolarHBondContact O-N 2.82Å; F545-G547 VanDerWaalsContact O-N 3.14Å; F545-M822 HydrophobicContact CB-CE 4.49Å; F545-M822 HydrophobicContact CD1-CB 4.32Å; F545-M822 HydrophobicContact CD1-CE 3.75Å; F545-M822 HydrophobicContact CD1-CG 3.63Å; F545-M822 HydrophobicContact CD1-SD 3.62Å; F545-M822 HydrophobicContact CD2-CE 3.95Å; F545-M822 HydrophobicContact CE1-CB 4.3Å; F545-M822 HydrophobicContact CE1-CE 3.92Å; F545-M822 HydrophobicContact CE1-CG 3.85Å; F545-M822 HydrophobicContact CE1-SD 3.37Å; F545-M822 WeakPolarHBondContact CE1-SD 3.19Å; F545-M822 HydrophobicContact CE2-CE 4.08Å; F545-M822 HydrophobicContact CE2-SD 4.41Å; F545-M822 HydrophobicContact CG-CE 3.8Å; F545-M822 HydrophobicContact CG-CG 4.47Å; F545-M822 HydrophobicContact CG-SD 4.3Å; F545-M822 HydrophobicContact CZ-CE 4.09Å; F545-M822 HydrophobicContact CZ-SD 3.81Å
546	G	44.7	Very low	53.1	Low	55 Å²	55	87.2 Å²	87.2	57%	0.567	47%	0.468	S	S	*	.			trans	-74.5	96.8	175.3	0	0	0	0	0	112	K542 R825	K542-G546 WeakPolarHBondContact O-CA 3.39Å; K542-G546 PolarHBondContact O-N 3.48Å; G546-R825 PolarHBondContact O-NH1 3.37Å
547	G	46.4	Very low	53.3	Low	54 Å²	54	88.9 Å²	88.9	56%	0.557	49%	0.492	S	S	*	.			trans	-161.3	154	177.8	0	0	0	0	0	112.9	F545	F545-G547 PolarHBondContact O-N 2.82Å; F545-G547 VanDerWaalsContact O-N 3.14Å
548	N	43.5	Very low	53.5	Low	168 Å²	168	90 Å²	90	90%	0.898	50%	0.497	S	S	*	.			trans	-71.2	162.1	173.9	-91.3	-39.2	0	0	0	111.8	A550	N548-A550 PolarHBondContact O-N 3.28Å
549	K	41	Very low	54.2	Low	216 Å²	216	90.2 Å²	90.2	94%	0.939	50%	0.5	S	S	*	.			trans	-50	111.2	-178.8	-68.6	179.4	178.3	176.4	0	112
550	A	42.8	Very low	54.8	Low	44 Å²	44	89.1 Å²	89.1	36%	0.364	50%	0.496	S	S	.	.			trans	-66.7	142.2	-176.7	0	0	0	0	0	112.8	N548 T824	N548-A550 PolarHBondContact O-N 3.28Å; A550-T824 HydrophobicContact CB-CG2 3.78Å
551	S	39.8	Very low	55.2	Low	74 Å²	74	94 Å²	94	52%	0.517	52%	0.523	S	S	.	.			trans	-91.8	138.8	167.5	-179.6	0	0	0	0	109.1	G553	S551-G553 PolarHBondContact O-N 2.72Å
552	Y	44.7	Very low	55.8	Low	169 Å²	169	97.5 Å²	97.5	66%	0.663	54%	0.539	S	S	*	.	S	Bend	trans	-72.1	115.3	173.2	-79.8	-88.3	0	0	0	110.7	T824	Y552-T824 HydrophobicContact CD1-CG2 4.44Å; Y552-T824 HydrophobicContact CE1-CG2 4.43Å
553	G	48.7	Very low	56.4	Low	49 Å²	49	94.4 Å²	94.4	51%	0.505	53%	0.527	S	S	.	.	S	Bend	trans	79.9	159.1	171.1	0	0	0	0	0	115.7	S551 K555	S551-G553 PolarHBondContact O-N 2.72Å; G553-K555 PolarHBondContact O-N 2.68Å
554	K	45.7	Very low	57.3	Low	124 Å²	124	92 Å²	92	54%	0.539	51%	0.513	S	S	.	.			trans	-64.2	126.6	169.3	-74.6	172.1	179.3	162.1	0	109.7	T556 D851	K554-T556 VanDerWaalsContact C-N 3.33Å; K554-T556 PolarHBondContact O-N 2.99Å; K554-D851 WeakPolarHBondContact CE-OD2 3.35Å; K554-D851 IonicContact NZ-OD2 2.65Å; K554-D851 PolarHBondContact NZ-OD2 2.73Å
555	K	46.8	Very low	58.5	Low	198 Å²	198	95.9 Å²	95.9	86%	0.861	53%	0.531	S	S	*	.			trans	-66.1	95.4	159.4	-70.8	-175.1	178.1	-178.1	0	108.3	G553	G553-K555 PolarHBondContact O-N 2.68Å
556	T	50.3	Low	59.4	Low	72 Å²	72	95.4 Å²	95.4	44%	0.442	54%	0.535	S	S	.	.			trans	-74.1	143.5	176	14.9	0	0	0	0	110.1	K554 Q563	K554-T556 VanDerWaalsContact C-N 3.33Å; K554-T556 PolarHBondContact O-N 2.99Å; T556-Q563 PolarHBondContact OG1-NE2 2.85Å
557	A	51.8	Low	61.3	Low	113 Å²	113	94.4 Å²	94.4	93%	0.934	52%	0.517	S	S	*	.	S	Bend	trans	-84.8	-16.6	178	0	0	0	0	0	113.6
558	M	60	Low	63	Low	107 Å²	107	92.4 Å²	92.4	53%	0.527	49%	0.494	S	S	.	.	S	Bend	trans	-77.4	144.9	174.7	-59	-179.6	-62.8	0	0	110.5	Q563	M558-Q563 HydrophobicContact CB-CG 4.28Å; M558-Q563 HydrophobicContact CE-CG 4.27Å; M558-Q563 PolarHBondContact O-NE2 2.7Å
559	S	75.8	Confident	65.2	Low	55 Å²	55	84.4 Å²	84.4	39%	0.385	45%	0.452	S	S	.	.			trans	-63	158.8	174.5	73.2	0	0	0	0	112.1	L561 E562 Q563	S559-L561 PolarHBondContact O-N 3.19Å; S559-E562 WeakPolarHBondContact CA-OE2 3.49Å; S559-E562 WeakPolarHBondContact CB-OE2 3.42Å; S559-E562 PolarHBondContact N-OE2 3.42Å; S559-E562 PolarHBondContact O-N 3.04Å; S559-E562 VanDerWaalsContact OG-CD 3.28Å; S559-E562 VanDerWaalsContact OG-CG 3.3Å; S559-E562 WeakPolarHBondContact OG-CG 3.33Å; S559-E562 PolarHBondContact OG-N 2.96Å; S559-E562 PolarHBondContact OG-OE2 2.74Å; S559-Q563 VanDerWaalsContact O-CG 3.3Å; S559-Q563 WeakPolarHBondContact O-CG 3.47Å; S559-Q563 PolarHBondContact O-N 3.07Å
560	I	76.8	Confident	67.4	Low	74 Å²	74	78.1 Å²	78.1	38%	0.379	42%	0.423	S	S	.	.	H	α-helix	trans	-61.3	-33.4	177.8	-66.7	175.7	0	0	0	111.2	Q563 R564 E635	I560-Q563 WeakPolarHBondContact O-CB 3.3Å; I560-Q563 PolarHBondContact O-N 3.17Å; I560-R564 WeakPolarHBondContact O-CG 3.48Å; I560-R564 PolarHBondContact O-N 2.83Å; I560-E635 HydrophobicContact CG2-CB 4.31Å; I560-E635 HydrophobicContact CG2-CG 3.96Å
561	L	77.1	Confident	69.6	Low	116 Å²	116	84.5 Å²	84.5	61%	0.607	44%	0.442	S	S	*	.	H	α-helix	trans	-72.2	-48.6	-178.3	-158.2	150.4	0	0	0	110.8	S559 Q563 R564 E565	S559-L561 PolarHBondContact O-N 3.19Å; L561-Q563 PolarHBondContact O-N 3.35Å; L561-R564 PolarHBondContact O-N 2.99Å; L561-E565 HydrophobicContact CD2-CG 4Å; L561-E565 WeakPolarHBondContact O-CG 3.39Å; L561-E565 PolarHBondContact O-N 3.11Å
562	E	81.9	Confident	72	Confident	107 Å²	107	82.4 Å²	82.4	50%	0.5	43%	0.425	S	S	.	.	H	α-helix	trans	-56.7	-38.4	172	-67	160.8	126	0	0	111.9	S559 E565 S566	S559-E562 WeakPolarHBondContact CA-OE2 3.49Å; S559-E562 WeakPolarHBondContact CB-OE2 3.42Å; S559-E562 PolarHBondContact N-OE2 3.42Å; S559-E562 PolarHBondContact O-N 3.04Å; S559-E562 VanDerWaalsContact OG-CD 3.28Å; S559-E562 VanDerWaalsContact OG-CG 3.3Å; S559-E562 WeakPolarHBondContact OG-CG 3.33Å; S559-E562 PolarHBondContact OG-N 2.96Å; S559-E562 PolarHBondContact OG-OE2 2.74Å; E562-E565 PolarHBondContact O-N 2.91Å; E562-S566 WeakPolarHBondContact O-CB 3.47Å; E562-S566 PolarHBondContact O-N 3.07Å
563	Q	78.3	Confident	74.2	Confident	27 Å²	27	76.7 Å²	76.7	13%	0.126	40%	0.403	C	S	.	.	H	α-helix	trans	-61	-45.9	173.7	-72.7	175.4	40.6	0	0	112	T556 M558 S559 I560 L561 S566	T556-Q563 PolarHBondContact OG1-NE2 2.85Å; M558-Q563 HydrophobicContact CB-CG 4.28Å; M558-Q563 HydrophobicContact CE-CG 4.27Å; M558-Q563 PolarHBondContact O-NE2 2.7Å; S559-Q563 VanDerWaalsContact O-CG 3.3Å; S559-Q563 WeakPolarHBondContact O-CG 3.47Å; S559-Q563 PolarHBondContact O-N 3.07Å; I560-Q563 WeakPolarHBondContact O-CB 3.3Å; I560-Q563 PolarHBondContact O-N 3.17Å; L561-Q563 PolarHBondContact O-N 3.35Å; Q563-S566 PolarHBondContact O-N 3.34Å; Q563-S566 PolarHBondContact O-OG 3.36Å
564	R	81.3	Confident	76.2	Confident	41 Å²	41	82.1 Å²	82.1	16%	0.155	42%	0.416	C	S	.	.	H	α-helix	trans	-63.9	-45.1	177.3	-71.5	178.6	69.7	-164.6	-8.2	111.8	I560 L561 S566 L567 Q602 E606 E635	I560-R564 WeakPolarHBondContact O-CG 3.48Å; I560-R564 PolarHBondContact O-N 2.83Å; L561-R564 PolarHBondContact O-N 2.99Å; R564-S566 PolarHBondContact O-N 3.23Å; R564-L567 WeakPolarHBondContact O-CB 3.25Å; R564-L567 PolarHBondContact O-N 2.82Å; R564-Q602 VanDerWaalsContact NH1-OE1 3.14Å; R564-E606 IonicContact CZ-OE1 3.14Å; R564-E606 IonicContact NH1-OE1 2.72Å; R564-E606 IonicContact NH2-OE1 3.4Å; R564-E606 PolarHBondContact NH2-OE1 3.47Å; R564-E635 HydrophobicContact CG-CG 4.5Å
565	E	85.1	Confident	78.4	Confident	87 Å²	87	81.8 Å²	81.8	41%	0.407	42%	0.416	S	S	.	.	H	α-helix	trans	-64.3	-30.2	177.3	-63.4	-160.1	124.3	0	0	112.8	L561 E562 L567 Y570	L561-E565 HydrophobicContact CD2-CG 4Å; L561-E565 WeakPolarHBondContact O-CG 3.39Å; L561-E565 PolarHBondContact O-N 3.11Å; E562-E565 PolarHBondContact O-N 2.91Å; E565-L567 PolarHBondContact O-N 2.92Å; E565-Y570 VanDerWaalsContact CA-CD1 3.47Å; E565-Y570 HydrophobicContact CB-CD1 3.79Å; E565-Y570 HydrophobicContact CB-CE1 3.62Å; E565-Y570 HydrophobicContact CG-CD1 4.08Å; E565-Y570 HydrophobicContact CG-CE1 3.45Å; E565-Y570 VanDerWaalsContact CG-CE1 3.45Å; E565-Y570 HydrophobicContact CG-CE2 4.42Å; E565-Y570 WeakPolarHBondContact O-CD1 3.5Å; E565-Y570 WeakPolarHBondContact OE1-CE1 3.04Å; E565-Y570 VanDerWaalsContact OE1-CZ 3.28Å; E565-Y570 PolarHBondContact OE1-OH 2.85Å
566	S	84.3	Confident	80.6	Confident	53 Å²	53	72.4 Å²	72.4	37%	0.371	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.5	177	84.9	0	0	0	0	113.9	E562 Q563 R564 R742	E562-S566 WeakPolarHBondContact O-CB 3.47Å; E562-S566 PolarHBondContact O-N 3.07Å; Q563-S566 PolarHBondContact O-N 3.34Å; Q563-S566 PolarHBondContact O-OG 3.36Å; R564-S566 PolarHBondContact O-N 3.23Å; S566-R742 PolarHBondContact O-NH1 3.08Å; S566-R742 PolarHBondContact O-NH2 2.94Å
567	L	84.2	Confident	82.6	Confident	34 Å²	34	71.2 Å²	71.2	18%	0.178	37%	0.366	C	S	.	.	S	Bend	trans	-75	141.8	-173.8	-67	172.9	0	0	0	112.4	R564 E565 I569 Y570 Q599	R564-L567 WeakPolarHBondContact O-CB 3.25Å; R564-L567 PolarHBondContact O-N 2.82Å; E565-L567 PolarHBondContact O-N 2.92Å; L567-I569 HydrophobicContact CB-CG2 4.17Å; L567-I569 PolarHBondContact O-N 2.85Å; L567-I569 VanDerWaalsContact O-N 3.14Å; L567-Y570 WeakPolarHBondContact O-CB 3.42Å; L567-Y570 PolarHBondContact O-N 3.06Å; L567-Q599 HydrophobicContact CD1-CG 3.53Å
568	P	83.9	Confident	84.6	Confident	13 Å²	13	71.5 Å²	71.5	8%	0.084	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-52.5	-37.6	180	-29.2	36.1	0	0	0	114.5	Y570 K571 S594 R742	P568-Y570 VanDerWaalsContact C-N 3.28Å; P568-Y570 PolarHBondContact O-N 3.31Å; P568-K571 PolarHBondContact O-N 2.82Å; P568-S594 WeakPolarHBondContact CD-O 3.25Å; P568-R742 HydrophobicContact CG-CB 4.33Å; P568-R742 HydrophobicContact CG-CG 3.94Å
569	I	87.9	Confident	86.1	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-64.5	-26	179.6	-164.2	170.3	0	0	0	114.1	L567 K571 L572 K573 L576 S594 Q599 I600 Y603 I739	L567-I569 HydrophobicContact CB-CG2 4.17Å; L567-I569 PolarHBondContact O-N 2.85Å; L567-I569 VanDerWaalsContact O-N 3.14Å; I569-K571 VanDerWaalsContact C-N 3.29Å; I569-K571 PolarHBondContact O-N 3.06Å; I569-L572 CarbonylContact O-C 3.46Å; I569-L572 PolarHBondContact O-N 2.92Å; I569-K573 PolarHBondContact O-N 3.29Å; I569-L576 HydrophobicContact CD1-CD2 4.19Å; I569-L576 HydrophobicContact CG1-CD2 4.49Å; I569-S594 WeakPolarHBondContact CB-O 3.29Å; I569-S594 WeakPolarHBondContact CG2-O 3.41Å; I569-S594 PolarHBondContact N-O 2.93Å; I569-Q599 HydrophobicContact CG2-CB 3.78Å; I569-Q599 HydrophobicContact CG2-CG 3.78Å; I569-I600 HydrophobicContact CD1-CD1 4.03Å; I569-I600 HydrophobicContact CD1-CG1 3.44Å; I569-I600 VanDerWaalsContact CD1-CG1 3.44Å; I569-Y603 HydrophobicContact CG1-CE2 4.39Å; I569-Y603 HydrophobicContact CG2-CE2 4.26Å; I569-I739 HydrophobicContact CB-CG2 4.46Å; I569-I739 HydrophobicContact CD1-CD1 3.68Å; I569-I739 HydrophobicContact CG1-CD1 3.88Å
570	Y	88.4	Confident	86.9	Confident	84 Å²	84	64.8 Å²	64.8	33%	0.329	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-62.2	-38.6	-178.1	-174.7	-123.8	0	0	0	111.9	E565 L567 P568 L572 K573 Y603	E565-Y570 VanDerWaalsContact CA-CD1 3.47Å; E565-Y570 HydrophobicContact CB-CD1 3.79Å; E565-Y570 HydrophobicContact CB-CE1 3.62Å; E565-Y570 HydrophobicContact CG-CD1 4.08Å; E565-Y570 HydrophobicContact CG-CE1 3.45Å; E565-Y570 VanDerWaalsContact CG-CE1 3.45Å; E565-Y570 HydrophobicContact CG-CE2 4.42Å; E565-Y570 WeakPolarHBondContact O-CD1 3.5Å; E565-Y570 WeakPolarHBondContact OE1-CE1 3.04Å; E565-Y570 VanDerWaalsContact OE1-CZ 3.28Å; E565-Y570 PolarHBondContact OE1-OH 2.85Å; L567-Y570 WeakPolarHBondContact O-CB 3.42Å; L567-Y570 PolarHBondContact O-N 3.06Å; P568-Y570 VanDerWaalsContact C-N 3.28Å; P568-Y570 PolarHBondContact O-N 3.31Å; Y570-L572 PolarHBondContact O-N 3.49Å; Y570-K573 HydrophobicContact CD2-CD 4.19Å; Y570-K573 HydrophobicContact CE2-CD 4.11Å; Y570-K573 VanDerWaalsContact O-CB 3.28Å; Y570-K573 WeakPolarHBondContact O-CB 3.37Å; Y570-K573 PolarHBondContact O-N 3Å; Y570-K573 VanDerWaalsContact O-N 3.08Å; Y570-Y603 WeakPolarHBondContact CD2-OH 3.24Å
571	K	88.9	Confident	87.6	Confident	177 Å²	177	66.8 Å²	66.8	77%	0.77	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-60.3	-17.9	175.6	-63.6	-170.6	175	-168.8	0	114.2	P568 I569	P568-K571 PolarHBondContact O-N 2.82Å; I569-K571 VanDerWaalsContact C-N 3.29Å; I569-K571 PolarHBondContact O-N 3.06Å
572	L	89.9	Confident	88.3	Confident	30 Å²	30	66 Å²	66	16%	0.157	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-116.4	11.5	-178.8	-59.8	-178.5	0	0	0	112.4	I569 Y570 E574 Q575 L576 F737 P740	I569-L572 CarbonylContact O-C 3.46Å; I569-L572 PolarHBondContact O-N 2.92Å; Y570-L572 PolarHBondContact O-N 3.49Å; L572-E574 PolarHBondContact O-N 3.1Å; L572-Q575 PolarHBondContact O-N 3Å; L572-L576 WeakPolarHBondContact O-CB 3.47Å; L572-L576 PolarHBondContact O-N 3.23Å; L572-F737 HydrophobicContact CB-CE1 4.43Å; L572-F737 HydrophobicContact CB-CZ 4.08Å; L572-F737 HydrophobicContact CD1-CE1 4.36Å; L572-F737 HydrophobicContact CD1-CZ 4.37Å; L572-P740 VanDerWaalsContact CD1-CD 3.49Å; L572-P740 HydrophobicContact CD1-CG 4.38Å
573	K	90.1	Very high	88.7	Confident	49 Å²	49	63.6 Å²	63.6	21%	0.213	31%	0.307	C	S	.	.	H	α-helix	trans	-52.8	-50.4	-175.8	176.6	176.7	-177.1	-178.6	0	112.7	I569 Y570 L576 I577 Y603 E606	I569-K573 PolarHBondContact O-N 3.29Å; Y570-K573 HydrophobicContact CD2-CD 4.19Å; Y570-K573 HydrophobicContact CE2-CD 4.11Å; Y570-K573 VanDerWaalsContact O-CB 3.28Å; Y570-K573 WeakPolarHBondContact O-CB 3.37Å; Y570-K573 PolarHBondContact O-N 3Å; Y570-K573 VanDerWaalsContact O-N 3.08Å; K573-L576 PolarHBondContact O-N 3.09Å; K573-I577 HydrophobicContact CG-CD1 3.89Å; K573-I577 VanDerWaalsContact O-CG1 3.29Å; K573-I577 WeakPolarHBondContact O-CG1 3.35Å; K573-I577 PolarHBondContact O-N 2.89Å; K573-Y603 HydrophobicContact CB-CD2 4.15Å; K573-Y603 HydrophobicContact CB-CE2 3.98Å; K573-Y603 HydrophobicContact CD-CD1 3.89Å; K573-Y603 HydrophobicContact CD-CD2 4.18Å; K573-Y603 HydrophobicContact CD-CE1 3.93Å; K573-Y603 HydrophobicContact CD-CE2 4.2Å; K573-Y603 HydrophobicContact CD-CG 4.04Å; K573-Y603 HydrophobicContact CG-CD1 4.28Å; K573-Y603 HydrophobicContact CG-CD2 3.71Å; K573-Y603 HydrophobicContact CG-CE2 3.94Å; K573-Y603 HydrophobicContact CG-CG 3.91Å; K573-E606 WeakPolarHBondContact CE-OE2 3.46Å; K573-E606 IonicContact NZ-OE2 3.76Å; K573-E606 PolarHBondContact NZ-OE2 3.49Å
574	E	92.2	Very high	89.4	Confident	164 Å²	164	65.1 Å²	65.1	77%	0.766	31%	0.314	S	S	*	.	H	α-helix	trans	-65.9	-45.8	-178.4	-62.2	179.4	165.7	0	0	111.6	L572 L576 I577 Q578	L572-E574 PolarHBondContact O-N 3.1Å; E574-L576 VanDerWaalsContact C-N 3.3Å; E574-L576 PolarHBondContact O-N 3.47Å; E574-I577 PolarHBondContact O-N 2.73Å; E574-Q578 PolarHBondContact O-N 2.7Å
575	Q	92.3	Very high	90	Very high	116 Å²	116	64 Å²	64	54%	0.542	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-36.8	177.7	-62.3	-177.3	5.7	0	0	112.1	L572 A579 F737	L572-Q575 PolarHBondContact O-N 3Å; Q575-A579 VanDerWaalsContact O-CB 3.23Å; Q575-A579 WeakPolarHBondContact O-CB 3.22Å; Q575-A579 PolarHBondContact O-N 3.49Å; Q575-F737 HydrophobicContact CB-CE2 4.13Å; Q575-F737 HydrophobicContact CB-CZ 4.25Å
576	L	92.1	Very high	90.4	Very high	2 Å²	2	60 Å²	60	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-67.3	-46.2	174.1	176.7	71.4	0	0	0	111.4	I569 L572 K573 E574 Q578 A579 V580 L586 V588 I600 Y603 F737	I569-L576 HydrophobicContact CD1-CD2 4.19Å; I569-L576 HydrophobicContact CG1-CD2 4.49Å; L572-L576 WeakPolarHBondContact O-CB 3.47Å; L572-L576 PolarHBondContact O-N 3.23Å; K573-L576 PolarHBondContact O-N 3.09Å; E574-L576 VanDerWaalsContact C-N 3.3Å; E574-L576 PolarHBondContact O-N 3.47Å; L576-Q578 VanDerWaalsContact C-N 3.29Å; L576-Q578 PolarHBondContact O-N 2.8Å; L576-A579 PolarHBondContact O-N 3.32Å; L576-V580 HydrophobicContact CD1-CG2 4.26Å; L576-V580 WeakPolarHBondContact O-CB 3.45Å; L576-V580 WeakPolarHBondContact O-CG2 3.42Å; L576-V580 PolarHBondContact O-N 3.39Å; L576-L586 HydrophobicContact CD1-CD2 4.17Å; L576-V588 HydrophobicContact CD1-CG2 4.26Å; L576-I600 HydrophobicContact CD2-CG1 3.92Å; L576-I600 HydrophobicContact CD2-CG2 4.47Å; L576-Y603 HydrophobicContact CD2-CD2 4.5Å; L576-F737 HydrophobicContact CB-CE1 4.06Å; L576-F737 HydrophobicContact CB-CZ 3.86Å; L576-F737 HydrophobicContact CD1-CD1 4Å; L576-F737 HydrophobicContact CD1-CE1 3.9Å; L576-F737 HydrophobicContact CD1-CZ 4.36Å
577	I	92.6	Very high	90.8	Very high	46 Å²	46	57.5 Å²	57.5	24%	0.236	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-41.2	178.5	-69.8	165.4	0	0	0	110.2	K573 E574 H581 A607	K573-I577 HydrophobicContact CG-CD1 3.89Å; K573-I577 VanDerWaalsContact O-CG1 3.29Å; K573-I577 WeakPolarHBondContact O-CG1 3.35Å; K573-I577 PolarHBondContact O-N 2.89Å; E574-I577 PolarHBondContact O-N 2.73Å; I577-H581 WeakPolarHBondContact O-CB 3.31Å; I577-H581 PolarHBondContact O-N 3.46Å; I577-A607 HydrophobicContact CD1-CB 4.45Å; I577-A607 HydrophobicContact CG2-CB 4.14Å
578	Q	92.9	Very high	91.2	Very high	120 Å²	120	55.9 Å²	55.9	56%	0.561	27%	0.266	S	S	*	.	H	α-helix	trans	-65.9	-47.4	174.2	-174.7	171.7	2	0	0	112	E574 L576 V580 H581 D582	E574-Q578 PolarHBondContact O-N 2.7Å; L576-Q578 VanDerWaalsContact C-N 3.29Å; L576-Q578 PolarHBondContact O-N 2.8Å; Q578-V580 VanDerWaalsContact C-N 3.28Å; Q578-V580 PolarHBondContact O-N 2.7Å; Q578-H581 WeakPolarHBondContact O-CA 3.45Å; Q578-H581 WeakPolarHBondContact O-CB 3.19Å; Q578-H581 PolarHBondContact O-N 2.89Å; Q578-D582 VanDerWaalsContact CG-OD2 3.31Å; Q578-D582 WeakPolarHBondContact CG-OD2 3.39Å; Q578-D582 PolarHBondContact O-N 3.45Å
579	A	92.5	Very high	91.4	Very high	18 Å²	18	56.5 Å²	56.5	15%	0.149	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-35.7	177.3	0	0	0	0	0	112.8	Q575 L576 N583 L586 F737	Q575-A579 VanDerWaalsContact O-CB 3.23Å; Q575-A579 WeakPolarHBondContact O-CB 3.22Å; Q575-A579 PolarHBondContact O-N 3.49Å; L576-A579 PolarHBondContact O-N 3.32Å; A579-N583 WeakPolarHBondContact O-CB 3.11Å; A579-N583 PolarHBondContact O-N 3.36Å; A579-N583 PolarHBondContact O-ND2 3.08Å; A579-L586 HydrophobicContact CB-CD1 4.22Å; A579-L586 HydrophobicContact CB-CD2 3.99Å; A579-F737 HydrophobicContact CB-CD2 4Å; A579-F737 HydrophobicContact CB-CE2 4.27Å
580	V	91.9	Very high	91.2	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-74.4	-33.2	172.6	175.5	0	0	0	0	111.7	L576 Q578 N583 L586 L604 I683 K714 I716	L576-V580 HydrophobicContact CD1-CG2 4.26Å; L576-V580 WeakPolarHBondContact O-CB 3.45Å; L576-V580 WeakPolarHBondContact O-CG2 3.42Å; L576-V580 PolarHBondContact O-N 3.39Å; Q578-V580 VanDerWaalsContact C-N 3.28Å; Q578-V580 PolarHBondContact O-N 2.7Å; V580-N583 VanDerWaalsContact O-O 3.05Å; V580-L586 HydrophobicContact CG2-CD2 3.54Å; V580-L604 HydrophobicContact CB-CD2 4.15Å; V580-L604 HydrophobicContact CG1-CD2 3.7Å; V580-L604 HydrophobicContact CG2-CD2 4.35Å; V580-I683 HydrophobicContact CG1-CD1 4.25Å; V580-K714 HydrophobicContact CG1-CD 4.03Å; V580-K714 VanDerWaalsContact O-CD 3.27Å; V580-K714 WeakPolarHBondContact O-CD 3.44Å; V580-K714 WeakPolarHBondContact O-CE 3.17Å; V580-K714 PolarHBondContact O-NZ 2.97Å; V580-I716 HydrophobicContact CG1-CD1 4.14Å; V580-I716 HydrophobicContact CG2-CD1 3.73Å; V580-I716 HydrophobicContact CG2-CG1 4.37Å
581	H	90.8	Very high	90.7	Very high	117 Å²	117	55.8 Å²	55.8	54%	0.542	27%	0.268	S	S	.	.	H	α-helix	trans	-64.3	-50.6	174.6	177.4	-90.3	0	0	0	111.8	I577 Q578 N583 Y609 K714	I577-H581 WeakPolarHBondContact O-CB 3.31Å; I577-H581 PolarHBondContact O-N 3.46Å; Q578-H581 WeakPolarHBondContact O-CA 3.45Å; Q578-H581 WeakPolarHBondContact O-CB 3.19Å; Q578-H581 PolarHBondContact O-N 2.89Å; H581-N583 PolarHBondContact O-N 3.14Å; H581-Y609 WeakPolarHBondContact CA-OH 3.4Å; H581-K714 PolarHBondContact O-NZ 3.28Å
582	D	91.8	Very high	90	Very high	100 Å²	100	49.2 Å²	49.2	54%	0.535	24%	0.243	S	C	.	.	H	α-helix	trans	-77.7	-23.1	-169.3	-61.7	-16.9	0	0	0	113	Q578	Q578-D582 VanDerWaalsContact CG-OD2 3.31Å; Q578-D582 WeakPolarHBondContact CG-OD2 3.39Å; Q578-D582 PolarHBondContact O-N 3.45Å
583	N	91.8	Very high	89.2	Confident	56 Å²	56	50.8 Å²	50.8	30%	0.299	27%	0.267	S	S	.	.			trans	-112.1	149.8	-178.2	-58.8	-76	0	0	0	112.8	A579 V580 H581 K714 P735	A579-N583 WeakPolarHBondContact O-CB 3.11Å; A579-N583 PolarHBondContact O-N 3.36Å; A579-N583 PolarHBondContact O-ND2 3.08Å; V580-N583 VanDerWaalsContact O-O 3.05Å; H581-N583 PolarHBondContact O-N 3.14Å; N583-K714 PolarHBondContact O-NZ 2.95Å; N583-P735 HydrophobicContact CB-CG 4.17Å; N583-P735 WeakPolarHBondContact OD1-CG 3.49Å
584	Q	91.9	Very high	88.7	Confident	58 Å²	58	48.6 Å²	48.6	27%	0.271	26%	0.257	S	S	.	.	S	Bend	trans	-87.1	-36.9	173.9	-159.8	-170.4	-4.3	0	0	112.4	V707 R710 M713 K714 L715	Q584-V707 VanDerWaalsContact CD-CG1 3.48Å; Q584-V707 HydrophobicContact CG-CG1 4.08Å; Q584-V707 VanDerWaalsContact NE2-CG1 3.34Å; Q584-V707 PolarHBondContact NE2-O 3.4Å; Q584-R710 PolarHBondContact NE2-O 3.05Å; Q584-M713 VanDerWaalsContact CG-O 3.23Å; Q584-M713 WeakPolarHBondContact CG-O 3.45Å; Q584-M713 PolarHBondContact NE2-O 2.87Å; Q584-K714 WeakPolarHBondContact O-CA 3.33Å; Q584-L715 PolarHBondContact O-N 3.21Å
585	I	94.3	Very high	88.1	Confident	17 Å²	17	41.1 Å²	41.1	9%	0.087	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.3	170.6	-48.3	177.5	0	0	0	108.2	V707 L715 F731 Y732 A734	I585-V707 HydrophobicContact CD1-CG1 4.02Å; I585-V707 HydrophobicContact CG1-CG1 3.86Å; I585-L715 CarbonylContact C-O 3.6Å; I585-L715 VanDerWaalsContact CA-O 3.31Å; I585-L715 WeakPolarHBondContact CA-O 3.3Å; I585-L715 HydrophobicContact CG1-CB 4.45Å; I585-L715 HydrophobicContact CG2-CB 4.43Å; I585-L715 HydrophobicContact CG2-CD2 4.27Å; I585-L715 HydrophobicContact CG2-CG 4.41Å; I585-F731 HydrophobicContact CD1-CB 4.03Å; I585-F731 HydrophobicContact CD1-CD1 3.93Å; I585-F731 HydrophobicContact CD1-CG 4.34Å; I585-F731 HydrophobicContact CG2-CB 4.12Å; I585-F731 HydrophobicContact CG2-CG 4.24Å; I585-Y732 HydrophobicContact CD1-CD2 4.44Å; I585-A734 HydrophobicContact CB-CB 4.02Å; I585-A734 HydrophobicContact CG2-CB 3.92Å
586	L	94	Very high	87.9	Confident	4 Å²	4	36 Å²	36	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.5	174.2	-171.4	68.9	0	0	0	110.7	L576 A579 V580 V588 L715 I716 V717 P735 F737	L576-L586 HydrophobicContact CD1-CD2 4.17Å; A579-L586 HydrophobicContact CB-CD1 4.22Å; A579-L586 HydrophobicContact CB-CD2 3.99Å; V580-L586 HydrophobicContact CG2-CD2 3.54Å; L586-V588 HydrophobicContact CD2-CG2 3.87Å; L586-V588 HydrophobicContact CG-CG2 4.01Å; L586-L715 PolarHBondContact N-O 3.11Å; L586-I716 WeakPolarHBondContact O-CA 3.37Å; L586-V717 PolarHBondContact O-N 3.35Å; L586-P735 HydrophobicContact CD1-CB 4.46Å; L586-P735 HydrophobicContact CD1-CG 4.03Å; L586-F737 HydrophobicContact CD1-CB 4.17Å; L586-F737 HydrophobicContact CD2-CB 4.37Å; L586-F737 HydrophobicContact CG-CB 4.36Å
587	I	93.6	Very high	87.6	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.3	174.2	-65.7	162.5	0	0	0	108	V717 A724 F727 A734 P735 I736 F737	I587-V717 WeakPolarHBondContact CA-O 3.2Å; I587-V717 HydrophobicContact CG1-CB 4.4Å; I587-A724 HydrophobicContact CG2-CB 4.16Å; I587-F727 VanDerWaalsContact CD1-C 3.42Å; I587-F727 HydrophobicContact CD1-CB 3.77Å; I587-F727 HydrophobicContact CG1-CB 4.36Å; I587-F727 HydrophobicContact CG2-CB 4.48Å; I587-A734 HydrophobicContact CD1-CB 3.98Å; I587-A734 HydrophobicContact CG1-CB 4.39Å; I587-P735 PolarHBondContact N-O 2.9Å; I587-I736 HydrophobicContact CB-CG1 4.46Å; I587-I736 CarbonylContact O-C 3.58Å; I587-I736 WeakPolarHBondContact O-CA 3.36Å; I587-F737 PolarHBondContact O-N 2.97Å
588	V	91.6	Very high	87.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	106.8	-176.1	176.4	0	0	0	0	109.5	L576 L586 K596 I600 I716 V717 T718 S719 F737 I739	L576-V588 HydrophobicContact CD1-CG2 4.26Å; L586-V588 HydrophobicContact CD2-CG2 3.87Å; L586-V588 HydrophobicContact CG-CG2 4.01Å; V588-K596 HydrophobicContact CG1-CD 4.47Å; V588-I600 HydrophobicContact CG1-CD1 4.17Å; V588-I716 HydrophobicContact CG2-CG2 3.89Å; V588-V717 PolarHBondContact N-O 3.33Å; V588-T718 HydrophobicContact CB-CG2 3.65Å; V588-T718 HydrophobicContact CG1-CG2 3.87Å; V588-T718 HydrophobicContact CG2-CG2 4.47Å; V588-T718 WeakPolarHBondContact O-CA 3.32Å; V588-S719 PolarHBondContact O-N 2.91Å; V588-F737 CarbonylContact C-O 3.32Å; V588-F737 WeakPolarHBondContact CA-O 3.19Å; V588-F737 HydrophobicContact CG1-CD1 4.44Å; V588-F737 HydrophobicContact CG2-CB 4.31Å; V588-I739 HydrophobicContact CG1-CD1 3.62Å; V588-I739 HydrophobicContact CG1-CG1 4.31Å
589	I	88.9	Confident	87.2	Confident	26 Å²	26	30.4 Å²	30.4	13%	0.133	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134.7	168.8	-47.2	179.6	0	0	0	108.2	A724 I736 F737 T738 I739	I589-A724 HydrophobicContact CD1-CB 3.4Å; I589-A724 VanDerWaalsContact CD1-CB 3.4Å; I589-A724 HydrophobicContact CG1-CB 3.71Å; I589-I736 HydrophobicContact CD1-CG2 3.48Å; I589-I736 VanDerWaalsContact CD1-CG2 3.48Å; I589-I736 HydrophobicContact CG1-CG2 3.76Å; I589-F737 PolarHBondContact N-O 3.45Å; I589-T738 HydrophobicContact CB-CG2 4.46Å; I589-I739 PolarHBondContact O-N 3.39Å
590	G	83.3	Confident	87.2	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	142.1	164.5	0	0	0	0	0	111.8	K596 S719	G590-K596 WeakPolarHBondContact O-CD 3.42Å; G590-K596 PolarHBondContact O-NZ 3.13Å; G590-S719 PolarHBondContact N-O 2.66Å
591	E	76.6	Confident	87.3	Confident	68 Å²	68	29.5 Å²	29.5	32%	0.318	17%	0.169	S	C	.	.			trans	-59.2	153.2	-179	-58.2	-168.3	143	0	0	112.1	G593 S594 G741 R742 T743	E591-G593 PolarHBondContact O-N 3.01Å; E591-S594 VanDerWaalsContact O-CB 3.27Å; E591-S594 WeakPolarHBondContact O-CB 3.47Å; E591-S594 PolarHBondContact O-N 3.16Å; E591-S594 VanDerWaalsContact O-N 3.1Å; E591-S594 PolarHBondContact O-OG 3.21Å; E591-G741 VanDerWaalsContact OE2-CA 3.22Å; E591-G741 WeakPolarHBondContact OE2-CA 3.4Å; E591-R742 PolarHBondContact OE2-N 2.71Å; E591-T743 PolarHBondContact OE1-OG1 2.77Å; E591-T743 VanDerWaalsContact OE1-OG1 3.11Å; E591-T743 VanDerWaalsContact OE2-CG2 3.23Å; E591-T743 WeakPolarHBondContact OE2-CG2 3.38Å; E591-T743 PolarHBondContact OE2-N 3.44Å; E591-T743 VanDerWaalsContact OE2-N 3.17Å; E591-T743 PolarHBondContact OE2-OG1 3.29Å
592	T	74.2	Confident	87.3	Confident	40 Å²	40	23.9 Å²	23.9	25%	0.245	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	129.7	173.1	58.2	0	0	0	0	110.3	A720 R895	T592-A720 HydrophobicContact CG2-CB 4.14Å; T592-R895 VanDerWaalsContact CB-NH2 3.32Å; T592-R895 PolarHBondContact OG1-NE 2.68Å; T592-R895 PolarHBondContact OG1-NH2 3.28Å
593	G	73.3	Confident	87.3	Confident	63 Å²	63	19.2 Å²	19.2	65%	0.649	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.6	-5.6	-175.5	0	0	0	0	0	115.3	E591 G595	E591-G593 PolarHBondContact O-N 3.01Å; G593-G595 PolarHBondContact O-N 3.04Å
594	S	79.3	Confident	87.3	Confident	2 Å²	2	16.8 Å²	16.8	1%	0.014	11%	0.105	C	C	.	.	S	Bend	trans	-67.3	-14.4	173.7	57.2	0	0	0	0	114.8	P568 I569 E591 K596	P568-S594 WeakPolarHBondContact CD-O 3.25Å; I569-S594 WeakPolarHBondContact CB-O 3.29Å; I569-S594 WeakPolarHBondContact CG2-O 3.41Å; I569-S594 PolarHBondContact N-O 2.93Å; E591-S594 VanDerWaalsContact O-CB 3.27Å; E591-S594 WeakPolarHBondContact O-CB 3.47Å; E591-S594 PolarHBondContact O-N 3.16Å; E591-S594 VanDerWaalsContact O-N 3.1Å; E591-S594 PolarHBondContact O-OG 3.21Å; S594-K596 WeakPolarHBondContact OG-CG 3.41Å
595	G	81.4	Confident	87.2	Confident	8 Å²	8	14.3 Å²	14.3	8%	0.082	10%	0.095	C	C	.	.	S	Bend	trans	105.1	2.8	178.9	0	0	0	0	0	115.8	G593 T597 T598 Q599	G593-G595 PolarHBondContact O-N 3.04Å; G595-T597 PolarHBondContact O-N 3.25Å; G595-T598 PolarHBondContact O-N 3.35Å; G595-T598 PolarHBondContact O-OG1 3.37Å; G595-Q599 WeakPolarHBondContact O-CB 3.49Å; G595-Q599 PolarHBondContact O-N 2.88Å
596	K	86.8	Confident	87	Confident	7 Å²	7	17.6 Å²	17.6	3%	0.03	11%	0.11	C	C	.	.	H	α-helix	trans	-42.5	-68.5	-177	-49.9	-160.9	-53.1	-75.3	0	113.3	V588 G590 S594 T598 I600 E688 T718 I739	V588-K596 HydrophobicContact CG1-CD 4.47Å; G590-K596 WeakPolarHBondContact O-CD 3.42Å; G590-K596 PolarHBondContact O-NZ 3.13Å; S594-K596 WeakPolarHBondContact OG-CG 3.41Å; K596-T598 VanDerWaalsContact C-N 3.33Å; K596-T598 PolarHBondContact O-N 2.98Å; K596-I600 HydrophobicContact CB-CD1 3.88Å; K596-I600 VanDerWaalsContact O-CB 3.28Å; K596-I600 WeakPolarHBondContact O-CB 3.21Å; K596-I600 WeakPolarHBondContact O-CD1 3.16Å; K596-I600 WeakPolarHBondContact O-CG1 3.34Å; K596-I600 PolarHBondContact O-N 3.01Å; K596-E688 IonicContact NZ-OE1 3.27Å; K596-E688 PolarHBondContact NZ-OE1 3.4Å; K596-T718 HydrophobicContact CB-CG2 4.39Å; K596-T718 HydrophobicContact CD-CG2 4.09Å; K596-I739 HydrophobicContact CG-CD1 4.26Å
597	T	86	Confident	86.7	Confident	25 Å²	25	19.5 Å²	19.5	15%	0.153	13%	0.126	C	C	.	.	H	α-helix	trans	-69.6	-27.6	-168	-32.1	0	0	0	0	114	G595 Q619 V628 Y662 M685 D687	G595-T597 PolarHBondContact O-N 3.25Å; T597-Q619 VanDerWaalsContact CG2-NE2 3.3Å; T597-V628 HydrophobicContact CG2-CG1 3.99Å; T597-V628 HydrophobicContact CG2-CG2 4.38Å; T597-Y662 HydrophobicContact CG2-CE1 4.23Å; T597-Y662 PolarHBondContact O-OH 3.45Å; T597-M685 HydrophobicContact CG2-CE 4.21Å; T597-D687 WeakPolarHBondContact CB-OD2 3.07Å; T597-D687 WeakPolarHBondContact CG2-OD2 3.37Å; T597-D687 PolarHBondContact OG1-OD2 2.69Å
598	T	87.3	Confident	86.4	Confident	26 Å²	26	20.8 Å²	20.8	16%	0.16	14%	0.139	C	C	.	.	H	α-helix	trans	-86.7	-41.3	178.9	54.2	0	0	0	0	112.1	G595 K596 T601 Q602 V628 V632	G595-T598 PolarHBondContact O-N 3.35Å; G595-T598 PolarHBondContact O-OG1 3.37Å; K596-T598 VanDerWaalsContact C-N 3.33Å; K596-T598 PolarHBondContact O-N 2.98Å; T598-T601 PolarHBondContact O-OG1 3.19Å; T598-Q602 WeakPolarHBondContact O-CG 3.26Å; T598-Q602 PolarHBondContact O-NE2 3.11Å; T598-V628 HydrophobicContact CG2-CG1 4.23Å; T598-V632 HydrophobicContact CG2-CG2 4.03Å
599	Q	90.6	Very high	86.1	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-95.6	-32.6	-171	-57.7	-48.3	-66.2	0	0	114.9	L567 I569 G595 T601 Q602 Y603 E635	L567-Q599 HydrophobicContact CD1-CG 3.53Å; I569-Q599 HydrophobicContact CG2-CB 3.78Å; I569-Q599 HydrophobicContact CG2-CG 3.78Å; G595-Q599 WeakPolarHBondContact O-CB 3.49Å; G595-Q599 PolarHBondContact O-N 2.88Å; Q599-T601 VanDerWaalsContact C-N 3.33Å; Q599-T601 PolarHBondContact O-N 2.87Å; Q599-Q602 PolarHBondContact O-N 3.43Å; Q599-Y603 HydrophobicContact CB-CD2 4.25Å; Q599-Y603 HydrophobicContact CB-CE1 4.1Å; Q599-Y603 HydrophobicContact CB-CE2 3.72Å; Q599-Y603 VanDerWaalsContact O-CG 3.24Å; Q599-Y603 PolarHBondContact O-N 2.84Å; Q599-E635 PolarHBondContact NE2-OE2 3.35Å
600	I	92.5	Very high	85.8	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-46.4	-175.9	-65.3	171.4	0	0	0	110.4	I569 L576 V588 K596 Q602 Y603 L604 M685 I716 T718	I569-I600 HydrophobicContact CD1-CD1 4.03Å; I569-I600 HydrophobicContact CD1-CG1 3.44Å; I569-I600 VanDerWaalsContact CD1-CG1 3.44Å; L576-I600 HydrophobicContact CD2-CG1 3.92Å; L576-I600 HydrophobicContact CD2-CG2 4.47Å; V588-I600 HydrophobicContact CG1-CD1 4.17Å; K596-I600 HydrophobicContact CB-CD1 3.88Å; K596-I600 VanDerWaalsContact O-CB 3.28Å; K596-I600 WeakPolarHBondContact O-CB 3.21Å; K596-I600 WeakPolarHBondContact O-CD1 3.16Å; K596-I600 WeakPolarHBondContact O-CG1 3.34Å; K596-I600 PolarHBondContact O-N 3.01Å; I600-Q602 PolarHBondContact O-N 2.94Å; I600-Y603 PolarHBondContact O-N 3.27Å; I600-L604 HydrophobicContact CG2-CD1 3.72Å; I600-L604 HydrophobicContact CG2-CG 4.43Å; I600-L604 WeakPolarHBondContact O-CB 3.5Å; I600-L604 WeakPolarHBondContact O-CD1 2.96Å; I600-L604 WeakPolarHBondContact O-CG 3.39Å; I600-L604 PolarHBondContact O-N 2.9Å; I600-M685 HydrophobicContact CB-SD 3.88Å; I600-M685 HydrophobicContact CD1-SD 4.1Å; I600-M685 HydrophobicContact CG2-SD 3.68Å; I600-I716 HydrophobicContact CG2-CD1 4.24Å; I600-T718 HydrophobicContact CD1-CG2 3.7Å
601	T	92.9	Very high	85.6	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-60.4	-43.3	176.6	50.6	0	0	0	0	112.5	T598 Q599 A605 I615 C617 I660 Y662	T598-T601 PolarHBondContact O-OG1 3.19Å; Q599-T601 VanDerWaalsContact C-N 3.33Å; Q599-T601 PolarHBondContact O-N 2.87Å; T601-A605 PolarHBondContact O-N 2.99Å; T601-I615 HydrophobicContact CG2-CG2 4.23Å; T601-C617 HydrophobicContact CG2-CB 3.95Å; T601-I660 HydrophobicContact CG2-CG2 4.31Å; T601-Y662 HydrophobicContact CG2-CE1 4.4Å; T601-Y662 PolarHBondContact OG1-OH 3.41Å
602	Q	91.4	Very high	85.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-47.6	177.3	-69.7	-177.6	76.9	0	0	111.5	R564 T598 Q599 I600 L604 A605 E606 V632 E635 Y636	R564-Q602 VanDerWaalsContact NH1-OE1 3.14Å; T598-Q602 WeakPolarHBondContact O-CG 3.26Å; T598-Q602 PolarHBondContact O-NE2 3.11Å; Q599-Q602 PolarHBondContact O-N 3.43Å; I600-Q602 PolarHBondContact O-N 2.94Å; Q602-L604 VanDerWaalsContact C-N 3.28Å; Q602-L604 PolarHBondContact O-N 3.49Å; Q602-A605 WeakPolarHBondContact O-CB 3.49Å; Q602-A605 PolarHBondContact O-N 3.14Å; Q602-A605 VanDerWaalsContact O-N 3.08Å; Q602-E606 WeakPolarHBondContact O-CB 3.47Å; Q602-E606 VanDerWaalsContact O-CG 3.27Å; Q602-E606 WeakPolarHBondContact O-CG 3.47Å; Q602-E606 PolarHBondContact O-N 3.37Å; Q602-V632 HydrophobicContact CG-CG1 3.85Å; Q602-E635 PolarHBondContact NE2-OE2 3.12Å; Q602-Y636 HydrophobicContact CG-CD2 4.27Å
603	Y	92.5	Very high	86.2	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-64.5	-32.2	179.4	-60.9	-17.2	0	0	0	112.5	I569 Y570 K573 L576 Q599 I600 A607	I569-Y603 HydrophobicContact CG1-CE2 4.39Å; I569-Y603 HydrophobicContact CG2-CE2 4.26Å; Y570-Y603 WeakPolarHBondContact CD2-OH 3.24Å; K573-Y603 HydrophobicContact CB-CD2 4.15Å; K573-Y603 HydrophobicContact CB-CE2 3.98Å; K573-Y603 HydrophobicContact CD-CD1 3.89Å; K573-Y603 HydrophobicContact CD-CD2 4.18Å; K573-Y603 HydrophobicContact CD-CE1 3.93Å; K573-Y603 HydrophobicContact CD-CE2 4.2Å; K573-Y603 HydrophobicContact CD-CG 4.04Å; K573-Y603 HydrophobicContact CG-CD1 4.28Å; K573-Y603 HydrophobicContact CG-CD2 3.71Å; K573-Y603 HydrophobicContact CG-CE2 3.94Å; K573-Y603 HydrophobicContact CG-CG 3.91Å; L576-Y603 HydrophobicContact CD2-CD2 4.5Å; Q599-Y603 HydrophobicContact CB-CD2 4.25Å; Q599-Y603 HydrophobicContact CB-CE1 4.1Å; Q599-Y603 HydrophobicContact CB-CE2 3.72Å; Q599-Y603 VanDerWaalsContact O-CG 3.24Å; Q599-Y603 PolarHBondContact O-N 2.84Å; I600-Y603 PolarHBondContact O-N 3.27Å; Y603-A607 VanDerWaalsContact O-CB 3.26Å; Y603-A607 WeakPolarHBondContact O-CB 3.46Å; Y603-A607 PolarHBondContact O-N 3.48Å
604	L	91.8	Very high	87.2	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-75.2	-28	173.9	-66.7	170.5	0	0	0	112.8	V580 I600 Q602 Y609 I615 I683 I716	V580-L604 HydrophobicContact CB-CD2 4.15Å; V580-L604 HydrophobicContact CG1-CD2 3.7Å; V580-L604 HydrophobicContact CG2-CD2 4.35Å; I600-L604 HydrophobicContact CG2-CD1 3.72Å; I600-L604 HydrophobicContact CG2-CG 4.43Å; I600-L604 WeakPolarHBondContact O-CB 3.5Å; I600-L604 WeakPolarHBondContact O-CD1 2.96Å; I600-L604 WeakPolarHBondContact O-CG 3.39Å; I600-L604 PolarHBondContact O-N 2.9Å; Q602-L604 VanDerWaalsContact C-N 3.28Å; Q602-L604 PolarHBondContact O-N 3.49Å; L604-Y609 HydrophobicContact CB-CD2 4.42Å; L604-Y609 HydrophobicContact CD2-CD2 3.98Å; L604-Y609 HydrophobicContact CD2-CE2 3.9Å; L604-Y609 PolarHBondContact O-N 3.08Å; L604-I615 HydrophobicContact CB-CD1 3.82Å; L604-I683 HydrophobicContact CB-CD1 4.37Å; L604-I683 HydrophobicContact CD1-CD1 4Å; L604-I683 HydrophobicContact CD1-CG2 4.33Å; L604-I683 HydrophobicContact CD2-CD1 4.01Å; L604-I683 HydrophobicContact CG-CD1 4.35Å; L604-I716 HydrophobicContact CD1-CD1 3.54Å
605	A	89.9	Confident	87.9	Confident	7 Å²	7	31.8 Å²	31.8	6%	0.058	18%	0.178	C	C	.	.	H	α-helix	trans	-70.9	-45.9	169.4	0	0	0	0	0	112	T601 Q602 A607 G608 T610 I615 I660	T601-A605 PolarHBondContact O-N 2.99Å; Q602-A605 WeakPolarHBondContact O-CB 3.49Å; Q602-A605 PolarHBondContact O-N 3.14Å; Q602-A605 VanDerWaalsContact O-N 3.08Å; A605-A607 PolarHBondContact O-N 3.31Å; A605-G608 PolarHBondContact O-N 3.46Å; A605-T610 HydrophobicContact CB-CG2 3.74Å; A605-I615 HydrophobicContact CB-CD1 4.17Å; A605-I660 HydrophobicContact CB-CD1 3.88Å; A605-I660 HydrophobicContact CB-CG1 4.27Å
606	E	89.5	Confident	88.5	Confident	85 Å²	85	31.4 Å²	31.4	40%	0.397	17%	0.174	S	C	.	.	H	α-helix	trans	-59.3	-34	173.1	-68.2	164.1	-154.2	0	0	111.9	R564 K573 Q602 G608	R564-E606 IonicContact CZ-OE1 3.14Å; R564-E606 IonicContact NH1-OE1 2.72Å; R564-E606 IonicContact NH2-OE1 3.4Å; R564-E606 PolarHBondContact NH2-OE1 3.47Å; K573-E606 WeakPolarHBondContact CE-OE2 3.46Å; K573-E606 IonicContact NZ-OE2 3.76Å; K573-E606 PolarHBondContact NZ-OE2 3.49Å; Q602-E606 WeakPolarHBondContact O-CB 3.47Å; Q602-E606 VanDerWaalsContact O-CG 3.27Å; Q602-E606 WeakPolarHBondContact O-CG 3.47Å; Q602-E606 PolarHBondContact O-N 3.37Å; E606-G608 PolarHBondContact O-N 3.3Å
607	A	88.3	Confident	88.9	Confident	44 Å²	44	31.1 Å²	31.1	36%	0.364	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	3.9	174	0	0	0	0	0	114.6	I577 Y603 A605 Y609	I577-A607 HydrophobicContact CD1-CB 4.45Å; I577-A607 HydrophobicContact CG2-CB 4.14Å; Y603-A607 VanDerWaalsContact O-CB 3.26Å; Y603-A607 WeakPolarHBondContact O-CB 3.46Å; Y603-A607 PolarHBondContact O-N 3.48Å; A605-A607 PolarHBondContact O-N 3.31Å; A607-Y609 HydrophobicContact CB-CD2 4.09Å; A607-Y609 HydrophobicContact CB-CE2 4.17Å; A607-Y609 PolarHBondContact O-N 2.81Å
608	G	87.1	Confident	89.3	Confident	27 Å²	27	29.9 Å²	29.9	28%	0.278	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	6.6	168.8	0	0	0	0	0	116.8	A605 E606 T610 T611	A605-G608 PolarHBondContact O-N 3.46Å; E606-G608 PolarHBondContact O-N 3.3Å; G608-T610 PolarHBondContact O-N 2.89Å; G608-T610 VanDerWaalsContact O-N 3.09Å; G608-T611 WeakPolarHBondContact O-CB 3.4Å; G608-T611 WeakPolarHBondContact O-CG2 3.32Å; G608-T611 PolarHBondContact O-N 3.16Å; G608-T611 VanDerWaalsContact O-N 3.12Å; G608-T611 PolarHBondContact O-OG1 2.78Å
609	Y	84.8	Confident	89.5	Confident	24 Å²	24	29.1 Å²	29.1	9%	0.094	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-58.4	-23.7	175.4	-76.3	-79.7	0	0	0	113.3	H581 L604 A607 T611 R612 I683 K714	H581-Y609 WeakPolarHBondContact CA-OH 3.4Å; L604-Y609 HydrophobicContact CB-CD2 4.42Å; L604-Y609 HydrophobicContact CD2-CD2 3.98Å; L604-Y609 HydrophobicContact CD2-CE2 3.9Å; L604-Y609 PolarHBondContact O-N 3.08Å; A607-Y609 HydrophobicContact CB-CD2 4.09Å; A607-Y609 HydrophobicContact CB-CE2 4.17Å; A607-Y609 PolarHBondContact O-N 2.81Å; Y609-T611 PolarHBondContact O-N 2.91Å; Y609-R612 PolarHBondContact O-N 3.16Å; Y609-R612 VanDerWaalsContact O-N 3.09Å; Y609-I683 HydrophobicContact CD1-CD1 3.75Å; Y609-I683 HydrophobicContact CD1-CG1 4.28Å; Y609-I683 HydrophobicContact CD2-CD1 3.87Å; Y609-I683 HydrophobicContact CE1-CD1 4.18Å; Y609-I683 HydrophobicContact CE2-CD1 4.29Å; Y609-I683 HydrophobicContact CG-CD1 3.58Å; Y609-I683 HydrophobicContact CG-CG1 4.36Å; Y609-K714 HydrophobicContact CE1-CD 4.01Å
610	T	82	Confident	89.3	Confident	38 Å²	38	30.5 Å²	30.5	23%	0.233	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-63.8	-19.4	177.9	49.5	0	0	0	0	114.1	A605 G608 R612 G613 I615 V659	A605-T610 HydrophobicContact CB-CG2 3.74Å; G608-T610 PolarHBondContact O-N 2.89Å; G608-T610 VanDerWaalsContact O-N 3.09Å; T610-R612 PolarHBondContact O-N 2.79Å; T610-G613 WeakPolarHBondContact CA-O 3.37Å; T610-I615 HydrophobicContact CG2-CD1 3.61Å; T610-I615 HydrophobicContact CG2-CG1 4.05Å; T610-V659 VanDerWaalsContact CB-CG1 3.43Å; T610-V659 HydrophobicContact CG2-CG1 3.09Å
611	T	79.8	Confident	88.9	Confident	121 Å²	121	33.7 Å²	33.7	74%	0.742	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-67.1	-19.8	171.4	58.6	0	0	0	0	113.5	G608 Y609	G608-T611 WeakPolarHBondContact O-CB 3.4Å; G608-T611 WeakPolarHBondContact O-CG2 3.32Å; G608-T611 PolarHBondContact O-N 3.16Å; G608-T611 VanDerWaalsContact O-N 3.12Å; G608-T611 PolarHBondContact O-OG1 2.78Å; Y609-T611 PolarHBondContact O-N 2.91Å
612	R	77.5	Confident	88.4	Confident	180 Å²	180	36.9 Å²	36.9	68%	0.679	19%	0.193	S	C	*	.	S	Bend	trans	-100.8	-17.5	-177.2	-58.3	-175.6	-176.5	-177.5	1.9	113.9	Y609 T610 A682	Y609-R612 PolarHBondContact O-N 3.16Å; Y609-R612 VanDerWaalsContact O-N 3.09Å; T610-R612 PolarHBondContact O-N 2.79Å; R612-A682 HydrophobicContact CB-CB 4.11Å
613	G	86.4	Confident	87.8	Confident	21 Å²	21	42.1 Å²	42.1	22%	0.216	22%	0.224	C	C	.	.	S	Bend	trans	161.2	177.1	-173.3	0	0	0	0	0	111.7	T610	T610-G613 WeakPolarHBondContact CA-O 3.37Å
614	K	92.8	Very high	87.3	Confident	47 Å²	47	42.5 Å²	42.5	20%	0.204	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	154.2	-178.2	-59.7	-178	-173.6	-117.1	0	111	S655 P656 T658 V659 Q680 Y681 A682	K614-S655 PolarHBondContact NZ-O 3.15Å; K614-P656 PolarHBondContact NZ-O 3.42Å; K614-T658 VanDerWaalsContact CD-O 3.24Å; K614-T658 WeakPolarHBondContact CD-O 3.49Å; K614-T658 WeakPolarHBondContact CE-O 3.34Å; K614-T658 PolarHBondContact NZ-O 3.05Å; K614-V659 WeakPolarHBondContact CA-O 3.4Å; K614-Q680 PolarHBondContact N-O 2.98Å; K614-Y681 HydrophobicContact CB-CD1 4Å; K614-Y681 HydrophobicContact CB-CE1 4.09Å; K614-Y681 WeakPolarHBondContact O-CA 3.19Å; K614-A682 PolarHBondContact O-N 2.91Å
615	I	94.8	Very high	87.1	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	113.5	169.9	-63	175.5	0	0	0	107.6	T601 L604 A605 T610 V659 K661	T601-I615 HydrophobicContact CG2-CG2 4.23Å; L604-I615 HydrophobicContact CB-CD1 3.82Å; A605-I615 HydrophobicContact CB-CD1 4.17Å; T610-I615 HydrophobicContact CG2-CD1 3.61Å; T610-I615 HydrophobicContact CG2-CG1 4.05Å; I615-V659 PolarHBondContact N-O 2.92Å; I615-K661 PolarHBondContact O-N 3.4Å
616	G	94.9	Very high	86.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	124.1	176.5	0	0	0	0	0	111.1	I683 I684 M685	G616-I683 PolarHBondContact N-O 3.04Å; G616-I684 CarbonylContact O-C 3.54Å; G616-I684 WeakPolarHBondContact O-CA 3.23Å; G616-M685 PolarHBondContact O-N 2.81Å
617	C	95.4	Very high	86.5	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121	167.8	178.8	0	0	0	0	108.8	T601 K661 Y662 M663 M685	T601-C617 HydrophobicContact CG2-CB 3.95Å; C617-K661 PolarHBondContact N-O 3.03Å; C617-Y662 HydrophobicContact CB-CD1 3.57Å; C617-Y662 HydrophobicContact CB-CE1 3.59Å; C617-Y662 HydrophobicContact CB-CG 4.35Å; C617-Y662 CarbonylContact O-C 3.54Å; C617-Y662 WeakPolarHBondContact O-CA 3.39Å; C617-Y662 WeakPolarHBondContact SG-CE1 3.3Å; C617-M663 PolarHBondContact O-N 2.79Å; C617-M685 WeakPolarHBondContact CA-O 3.43Å; C617-M685 WeakPolarHBondContact SG-CE 3.34Å
618	T	94.4	Very high	86.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	162.9	171	86.2	0	0	0	0	111.5	M663 D665 L668 M685 L686	T618-M663 CarbonylContact C-O 3.55Å; T618-M663 VanDerWaalsContact CA-O 3.24Å; T618-M663 WeakPolarHBondContact CA-O 3.28Å; T618-M663 HydrophobicContact CG2-CG 4.28Å; T618-D665 WeakPolarHBondContact CB-OD1 3.49Å; T618-D665 PolarHBondContact OG1-OD1 2.87Å; T618-L668 HydrophobicContact CG2-CB 4.07Å; T618-L668 HydrophobicContact CG2-CD2 3.51Å; T618-L668 HydrophobicContact CG2-CG 4.42Å; T618-M685 PolarHBondContact N-O 2.87Å; T618-L686 HydrophobicContact CG2-CD2 3.7Å
619	Q	91	Very high	86.6	Confident	9 Å²	9	41.2 Å²	41.2	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	133.4	176.2	-74.5	-65.9	-69.9	0	0	108	T597 R621 A625 M663 T664 D665 D687	T597-Q619 VanDerWaalsContact CG2-NE2 3.3Å; Q619-R621 PolarHBondContact O-N 3.23Å; Q619-A625 HydrophobicContact CB-CB 4.08Å; Q619-A625 HydrophobicContact CG-CB 4.22Å; Q619-M663 PolarHBondContact N-O 3.35Å; Q619-T664 VanDerWaalsContact O-CA 3.28Å; Q619-T664 WeakPolarHBondContact O-CA 3.25Å; Q619-D665 VanDerWaalsContact C-OD1 3.31Å; Q619-D665 PolarHBondContact N-OD1 3.29Å; Q619-D665 PolarHBondContact O-N 2.76Å; Q619-D687 PolarHBondContact NE2-OD2 3.37Å
620	P	85.9	Confident	86.8	Confident	30 Å²	30	44.7 Å²	44.7	20%	0.195	23%	0.231	C	C	.	.	S	Bend	trans	-64.8	-26.4	175	23.1	-32.1	0	0	0	112.6	D687 E688 E691 T693	P620-D687 WeakPolarHBondContact CD-O 3.46Å; P620-E688 HydrophobicContact CG-CB 4.1Å; P620-E691 HydrophobicContact CB-CB 4.43Å; P620-E691 WeakPolarHBondContact CB-OE2 3.33Å; P620-E691 HydrophobicContact CG-CB 4.27Å; P620-E691 HydrophobicContact CG-CG 4.1Å; P620-E691 VanDerWaalsContact CG-OE2 3.24Å; P620-E691 WeakPolarHBondContact CG-OE2 3.1Å; P620-T693 HydrophobicContact CB-CG2 3.77Å
621	R	84.4	Confident	87	Confident	67 Å²	67	47 Å²	47	25%	0.253	24%	0.235	S	C	.	.			trans	-114.6	124	-171.2	-53.6	-167.5	-169.3	-172.7	-10.4	113.5	Q619 V623 A624 A625 E691 I843 T846 S847	Q619-R621 PolarHBondContact O-N 3.23Å; R621-V623 VanDerWaalsContact C-N 3.31Å; R621-V623 PolarHBondContact O-N 2.73Å; R621-A624 HydrophobicContact CB-CB 4.24Å; R621-A624 WeakPolarHBondContact O-CB 3.42Å; R621-A624 PolarHBondContact O-N 2.97Å; R621-A625 PolarHBondContact O-N 3.05Å; R621-A625 VanDerWaalsContact O-N 3.12Å; R621-E691 IonicContact CZ-OE1 2.67Å; R621-E691 IonicContact CZ-OE2 3.97Å; R621-E691 IonicContact NE-OE1 3.7Å; R621-E691 PolarHBondContact NE-OE1 2.81Å; R621-E691 VanDerWaalsContact NE-OE1 3.12Å; R621-E691 IonicContact NE-OE2 3.72Å; R621-E691 PolarHBondContact NE-OE2 3.48Å; R621-E691 IonicContact NH2-OE1 2.91Å; R621-E691 PolarHBondContact NH2-OE1 3.23Å; R621-E691 IonicContact NH2-OE2 3.87Å; R621-I843 PolarHBondContact NH1-O 3.05Å; R621-T846 PolarHBondContact NH1-OG1 2.95Å; R621-T846 PolarHBondContact NH2-OG1 3.36Å; R621-S847 VanDerWaalsContact CD-OG 3.23Å; R621-S847 WeakPolarHBondContact CD-OG 3.45Å; R621-S847 PolarHBondContact NE-OG 3.03Å; R621-S847 PolarHBondContact NH1-OG 3.14Å
622	R	82.9	Confident	87.4	Confident	67 Å²	67	41.2 Å²	41.2	25%	0.253	20%	0.2	S	C	.	.	H	α-helix	trans	-47.2	-47.6	177.1	-72.6	-179.2	89.4	-97.9	1.4	113.3	A624 A625 M626 I648 R649 E651 T664	R622-A624 VanDerWaalsContact C-N 3.34Å; R622-A624 PolarHBondContact O-N 3.09Å; R622-A625 PolarHBondContact O-N 2.92Å; R622-M626 WeakPolarHBondContact O-CG 3.14Å; R622-M626 PolarHBondContact O-N 3.48Å; R622-M626 VanDerWaalsContact O-N 3.14Å; R622-I648 HydrophobicContact CB-CD1 4.09Å; R622-I648 HydrophobicContact CG-CB 4.31Å; R622-I648 HydrophobicContact CG-CD1 4.26Å; R622-I648 VanDerWaalsContact CZ-CD1 3.41Å; R622-R649 PolarHBondContact NE-O 3.01Å; R622-R649 PolarHBondContact NH2-O 2.81Å; R622-E651 IonicContact CZ-OE2 3.71Å; R622-E651 IonicContact NH1-OE2 3.82Å; R622-E651 IonicContact NH2-OE2 3.45Å; R622-E651 PolarHBondContact NH2-OE2 3.33Å; R622-T664 HydrophobicContact CB-CG2 4.43Å; R622-T664 HydrophobicContact CG-CG2 3.85Å
623	V	78.5	Confident	88	Confident	110 Å²	110	32.9 Å²	32.9	67%	0.667	17%	0.17	S	C	*	.	H	α-helix	trans	-66.4	-35.8	-177	-178.7	0	0	0	0	111.9	R621 M626 S627	R621-V623 VanDerWaalsContact C-N 3.31Å; R621-V623 PolarHBondContact O-N 2.73Å; V623-M626 PolarHBondContact O-N 2.86Å; V623-S627 WeakPolarHBondContact O-CB 3.46Å; V623-S627 PolarHBondContact O-N 3.31Å; V623-S627 PolarHBondContact O-OG 3.05Å; V623-S627 VanDerWaalsContact O-OG 3.11Å
624	A	81.6	Confident	88.1	Confident	11 Å²	11	36.2 Å²	36.2	9%	0.091	18%	0.179	C	C	.	.	H	α-helix	trans	-68.9	-43.2	176.6	0	0	0	0	0	111.4	R621 R622 M626 S627 V628	R621-A624 HydrophobicContact CB-CB 4.24Å; R621-A624 WeakPolarHBondContact O-CB 3.42Å; R621-A624 PolarHBondContact O-N 2.97Å; R622-A624 VanDerWaalsContact C-N 3.34Å; R622-A624 PolarHBondContact O-N 3.09Å; A624-M626 VanDerWaalsContact C-N 3.32Å; A624-M626 PolarHBondContact O-N 3.27Å; A624-S627 PolarHBondContact O-N 2.96Å; A624-S627 PolarHBondContact O-OG 3.3Å; A624-V628 VanDerWaalsContact O-CB 3.29Å; A624-V628 WeakPolarHBondContact O-CB 3.28Å; A624-V628 VanDerWaalsContact O-CG2 3.25Å; A624-V628 WeakPolarHBondContact O-CG2 3.49Å; A624-V628 PolarHBondContact O-N 3.42Å
625	A	87.1	Confident	87.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-55.8	-45.7	173.5	0	0	0	0	0	112	Q619 R621 R622 A629 I648	Q619-A625 HydrophobicContact CB-CB 4.08Å; Q619-A625 HydrophobicContact CG-CB 4.22Å; R621-A625 PolarHBondContact O-N 3.05Å; R621-A625 VanDerWaalsContact O-N 3.12Å; R622-A625 PolarHBondContact O-N 2.92Å; A625-A629 WeakPolarHBondContact O-CB 3.33Å; A625-A629 PolarHBondContact O-N 2.9Å; A625-I648 HydrophobicContact CB-CG2 3.84Å
626	M	84.6	Confident	87.3	Confident	52 Å²	52	38.5 Å²	38.5	26%	0.256	19%	0.188	S	C	.	.	H	α-helix	trans	-67.2	-46.7	178.3	-63	172.4	89.7	0	0	112.8	R622 V623 A624 K630 Y646 I648 E651	R622-M626 WeakPolarHBondContact O-CG 3.14Å; R622-M626 PolarHBondContact O-N 3.48Å; R622-M626 VanDerWaalsContact O-N 3.14Å; V623-M626 PolarHBondContact O-N 2.86Å; A624-M626 VanDerWaalsContact C-N 3.32Å; A624-M626 PolarHBondContact O-N 3.27Å; M626-K630 WeakPolarHBondContact O-CB 3.49Å; M626-K630 PolarHBondContact O-N 3.09Å; M626-Y646 HydrophobicContact CE-CE2 4.15Å; M626-Y646 HydrophobicContact CG-CD2 4.02Å; M626-Y646 HydrophobicContact CG-CE2 3.65Å; M626-I648 HydrophobicContact CE-CD1 4.4Å; M626-I648 HydrophobicContact CG-CD1 3.68Å; M626-I648 HydrophobicContact SD-CD1 3.58Å; M626-I648 VanDerWaalsContact SD-CD1 3.58Å; M626-E651 WeakPolarHBondContact CE-OE1 3.47Å
627	S	82.9	Confident	86.8	Confident	66 Å²	66	41.9 Å²	41.9	46%	0.462	22%	0.223	S	C	.	.	H	α-helix	trans	-71.6	-39.4	-175.2	66.1	0	0	0	0	112.2	V623 A624 R631	V623-S627 WeakPolarHBondContact O-CB 3.46Å; V623-S627 PolarHBondContact O-N 3.31Å; V623-S627 PolarHBondContact O-OG 3.05Å; V623-S627 VanDerWaalsContact O-OG 3.11Å; A624-S627 PolarHBondContact O-N 2.96Å; A624-S627 PolarHBondContact O-OG 3.3Å; S627-R631 VanDerWaalsContact O-CB 3.32Å; S627-R631 WeakPolarHBondContact O-CB 3.44Å; S627-R631 PolarHBondContact O-N 3.04Å
628	V	87.5	Confident	86.5	Confident	21 Å²	21	42.7 Å²	42.7	13%	0.127	23%	0.228	C	C	.	.	H	α-helix	trans	-67.3	-46.6	174.2	177.1	0	0	0	0	110.5	T597 T598 A624 K630 R631 V632 Y662	T597-V628 HydrophobicContact CG2-CG1 3.99Å; T597-V628 HydrophobicContact CG2-CG2 4.38Å; T598-V628 HydrophobicContact CG2-CG1 4.23Å; A624-V628 VanDerWaalsContact O-CB 3.29Å; A624-V628 WeakPolarHBondContact O-CB 3.28Å; A624-V628 VanDerWaalsContact O-CG2 3.25Å; A624-V628 WeakPolarHBondContact O-CG2 3.49Å; A624-V628 PolarHBondContact O-N 3.42Å; V628-K630 VanDerWaalsContact C-N 3.32Å; V628-K630 PolarHBondContact O-N 3.12Å; V628-R631 PolarHBondContact O-N 3.19Å; V628-V632 HydrophobicContact CG1-CG2 4.07Å; V628-V632 WeakPolarHBondContact O-CB 3.2Å; V628-V632 WeakPolarHBondContact O-CG2 3.48Å; V628-V632 PolarHBondContact O-N 3.12Å; V628-Y662 HydrophobicContact CB-CE1 4.4Å; V628-Y662 HydrophobicContact CG1-CD1 4.01Å; V628-Y662 HydrophobicContact CG1-CE1 3.44Å; V628-Y662 VanDerWaalsContact CG1-CE1 3.44Å; V628-Y662 HydrophobicContact CG1-CE2 4.42Å
629	A	90.3	Very high	86.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-43	177.5	0	0	0	0	0	112.2	A625 V632 S633 L640 V644 Y646 Y662	A625-A629 WeakPolarHBondContact O-CB 3.33Å; A625-A629 PolarHBondContact O-N 2.9Å; A629-V632 PolarHBondContact O-N 3.25Å; A629-S633 PolarHBondContact O-N 3.36Å; A629-S633 PolarHBondContact O-OG 3.2Å; A629-L640 HydrophobicContact CB-CD1 3.96Å; A629-V644 WeakPolarHBondContact O-CG1 3.37Å; A629-Y646 HydrophobicContact CB-CD1 4.09Å; A629-Y646 HydrophobicContact CB-CG 4.23Å; A629-Y662 HydrophobicContact CB-CD2 3.75Å; A629-Y662 HydrophobicContact CB-CG 4.06Å
630	K	87.9	Confident	86.1	Confident	98 Å²	98	49.6 Å²	49.6	43%	0.426	27%	0.271	S	S	.	.	H	α-helix	trans	-61	-51.6	174.2	-176.1	173.1	-174.9	-73.6	0	111.5	M626 V628 V632 S633 E634 L640	M626-K630 WeakPolarHBondContact O-CB 3.49Å; M626-K630 PolarHBondContact O-N 3.09Å; V628-K630 VanDerWaalsContact C-N 3.32Å; V628-K630 PolarHBondContact O-N 3.12Å; K630-V632 VanDerWaalsContact C-N 3.29Å; K630-V632 PolarHBondContact O-N 3.37Å; K630-S633 PolarHBondContact O-N 2.9Å; K630-S633 PolarHBondContact O-OG 3.05Å; K630-E634 IonicContact NZ-OE1 3.04Å; K630-E634 PolarHBondContact NZ-OE1 3.15Å; K630-E634 WeakPolarHBondContact O-CG 3.41Å; K630-E634 PolarHBondContact O-N 2.92Å; K630-L640 HydrophobicContact CB-CD2 4Å; K630-L640 HydrophobicContact CG-CD2 4.38Å
631	R	85.5	Confident	86.2	Confident	85 Å²	85	49 Å²	49	32%	0.321	27%	0.27	S	S	.	.	H	α-helix	trans	-60.7	-37.2	179.1	177.1	59	-172.7	-161.7	2.2	112.2	S627 V628 E634 E635	S627-R631 VanDerWaalsContact O-CB 3.32Å; S627-R631 WeakPolarHBondContact O-CB 3.44Å; S627-R631 PolarHBondContact O-N 3.04Å; V628-R631 PolarHBondContact O-N 3.19Å; R631-E634 WeakPolarHBondContact O-CB 3.4Å; R631-E634 PolarHBondContact O-N 2.94Å; R631-E635 IonicContact CZ-OE1 2.68Å; R631-E635 VanDerWaalsContact CZ-OE1 3.27Å; R631-E635 IonicContact NE-OE1 3.86Å; R631-E635 PolarHBondContact NE-OE1 3.03Å; R631-E635 IonicContact NH2-OE1 3.65Å; R631-E635 PolarHBondContact NH2-OE1 3.25Å; R631-E635 WeakPolarHBondContact O-CB 3.34Å; R631-E635 WeakPolarHBondContact O-CG 3.38Å; R631-E635 PolarHBondContact O-N 2.95Å
632	V	89.8	Confident	86.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-75	-33	177.9	173.5	0	0	0	0	111.6	T598 Q602 V628 A629 K630 E634 E635 Y636 V644 Y662	T598-V632 HydrophobicContact CG2-CG2 4.03Å; Q602-V632 HydrophobicContact CG-CG1 3.85Å; V628-V632 HydrophobicContact CG1-CG2 4.07Å; V628-V632 WeakPolarHBondContact O-CB 3.2Å; V628-V632 WeakPolarHBondContact O-CG2 3.48Å; V628-V632 PolarHBondContact O-N 3.12Å; A629-V632 PolarHBondContact O-N 3.25Å; K630-V632 VanDerWaalsContact C-N 3.29Å; K630-V632 PolarHBondContact O-N 3.37Å; V632-E634 VanDerWaalsContact C-N 3.32Å; V632-E634 PolarHBondContact O-N 3.33Å; V632-E635 PolarHBondContact O-N 3.34Å; V632-Y636 WeakPolarHBondContact O-CB 3.44Å; V632-Y636 PolarHBondContact O-N 2.6Å; V632-V644 HydrophobicContact CB-CG1 4.33Å; V632-V644 HydrophobicContact CG1-CG1 4.12Å; V632-V644 HydrophobicContact CG1-CG2 4.16Å; V632-Y662 HydrophobicContact CB-CE2 4.14Å; V632-Y662 HydrophobicContact CG1-CE2 4.16Å; V632-Y662 HydrophobicContact CG2-CE2 4.37Å
633	S	90.2	Very high	86.8	Confident	6 Å²	6	50.5 Å²	50.5	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-38.5	168.3	68.4	0	0	0	0	112.1	A629 K630 G637 C638	A629-S633 PolarHBondContact O-N 3.36Å; A629-S633 PolarHBondContact O-OG 3.2Å; K630-S633 PolarHBondContact O-N 2.9Å; K630-S633 PolarHBondContact O-OG 3.05Å; S633-G637 PolarHBondContact O-N 2.68Å; S633-C638 PolarHBondContact O-N 3.24Å; S633-C638 VanDerWaalsContact O-N 3.16Å
634	E	87.3	Confident	87.6	Confident	90 Å²	90	45.2 Å²	45.2	42%	0.421	25%	0.251	S	S	.	.	H	α-helix	trans	-68.1	-33.7	173.5	-68.7	168	178.6	0	0	112.7	K630 R631 V632	K630-E634 IonicContact NZ-OE1 3.04Å; K630-E634 PolarHBondContact NZ-OE1 3.15Å; K630-E634 WeakPolarHBondContact O-CG 3.41Å; K630-E634 PolarHBondContact O-N 2.92Å; R631-E634 WeakPolarHBondContact O-CB 3.4Å; R631-E634 PolarHBondContact O-N 2.94Å; V632-E634 VanDerWaalsContact C-N 3.32Å; V632-E634 PolarHBondContact O-N 3.33Å
635	E	86.7	Confident	88.2	Confident	18 Å²	18	44.7 Å²	44.7	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-79.5	-28.8	176.9	-77.7	-178.3	-170.3	0	0	114.3	I560 R564 Q599 Q602 R631 V632	I560-E635 HydrophobicContact CG2-CB 4.31Å; I560-E635 HydrophobicContact CG2-CG 3.96Å; R564-E635 HydrophobicContact CG-CG 4.5Å; Q599-E635 PolarHBondContact NE2-OE2 3.35Å; Q602-E635 PolarHBondContact NE2-OE2 3.12Å; R631-E635 IonicContact CZ-OE1 2.68Å; R631-E635 VanDerWaalsContact CZ-OE1 3.27Å; R631-E635 IonicContact NE-OE1 3.86Å; R631-E635 PolarHBondContact NE-OE1 3.03Å; R631-E635 IonicContact NH2-OE1 3.65Å; R631-E635 PolarHBondContact NH2-OE1 3.25Å; R631-E635 WeakPolarHBondContact O-CB 3.34Å; R631-E635 WeakPolarHBondContact O-CG 3.38Å; R631-E635 PolarHBondContact O-N 2.95Å; V632-E635 PolarHBondContact O-N 3.34Å
636	Y	84.8	Confident	88.5	Confident	78 Å²	78	45.4 Å²	45.4	31%	0.306	25%	0.25	S	C	.	.	H	α-helix	trans	-89.1	-21.3	178.8	-157.4	-98.4	0	0	0	112.4	Q602 V632 E643 V644	Q602-Y636 HydrophobicContact CG-CD2 4.27Å; V632-Y636 WeakPolarHBondContact O-CB 3.44Å; V632-Y636 PolarHBondContact O-N 2.6Å; Y636-E643 HydrophobicContact CE1-CB 4.36Å; Y636-E643 WeakPolarHBondContact CE1-OE2 3.22Å; Y636-V644 HydrophobicContact CD1-CG2 4.4Å; Y636-V644 HydrophobicContact CG-CG2 4.3Å
637	G	85.1	Confident	88.9	Confident	72 Å²	72	43 Å²	43	74%	0.742	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.7	10.1	176.4	0	0	0	0	0	115.5	S633	S633-G637 PolarHBondContact O-N 2.68Å
638	C	87.2	Confident	89.2	Confident	16 Å²	16	40 Å²	40	11%	0.108	22%	0.216	C	C	.	.	S	Bend	trans	-100.3	162.5	-179.2	76.2	0	0	0	0	112.3	S633 E643	S633-C638 PolarHBondContact O-N 3.24Å; S633-C638 VanDerWaalsContact O-N 3.16Å; C638-E643 HydrophobicContact CB-CB 4.29Å; C638-E643 WeakPolarHBondContact CB-OE2 3.06Å
639	C	88.4	Confident	88.9	Confident	89 Å²	89	44 Å²	44	60%	0.601	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-76.9	141	166.3	-70.1	0	0	0	0	111	G641 Q642	C639-G641 PolarHBondContact O-N 3.04Å; C639-Q642 HydrophobicContact CB-CG 4.33Å; C639-Q642 VanDerWaalsContact CB-OE1 3.3Å; C639-Q642 VanDerWaalsContact N-OE1 3.11Å; C639-Q642 WeakPolarHBondContact O-CB 3.33Å; C639-Q642 PolarHBondContact O-N 2.96Å
640	L	89.6	Confident	88.2	Confident	66 Å²	66	44.8 Å²	44.8	35%	0.346	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	121	178.2	-172.7	60.7	0	0	0	110.9	A629 K630 Y646	A629-L640 HydrophobicContact CB-CD1 3.96Å; K630-L640 HydrophobicContact CB-CD2 4Å; K630-L640 HydrophobicContact CG-CD2 4.38Å; L640-Y646 HydrophobicContact CD1-CD1 4.07Å; L640-Y646 HydrophobicContact CD2-CD1 4.24Å; L640-Y646 HydrophobicContact CD2-CE1 3.89Å; L640-Y646 HydrophobicContact CG-CD1 4.26Å; L640-Y646 HydrophobicContact CG-CE1 4.22Å
641	G	87.8	Confident	87.9	Confident	16 Å²	16	43.7 Å²	43.7	17%	0.165	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.2	-12.2	-173.3	0	0	0	0	0	114.6	C639 V644 C653 S655 T658	C639-G641 PolarHBondContact O-N 3.04Å; G641-V644 PolarHBondContact N-O 2.9Å; G641-C653 WeakPolarHBondContact CA-O 3.31Å; G641-S655 WeakPolarHBondContact O-CB 3.43Å; G641-S655 PolarHBondContact O-N 2.79Å; G641-S655 PolarHBondContact O-OG 3.31Å; G641-T658 PolarHBondContact O-OG1 3.13Å
642	Q	90.3	Very high	87.9	Confident	84 Å²	84	44.2 Å²	44.2	39%	0.393	24%	0.238	S	C	.	.	S	Bend	trans	-81.5	-124.7	164.7	-59.8	-177	-67.7	0	0	109.1	C639 V644 T658	C639-Q642 HydrophobicContact CB-CG 4.33Å; C639-Q642 VanDerWaalsContact CB-OE1 3.3Å; C639-Q642 VanDerWaalsContact N-OE1 3.11Å; C639-Q642 WeakPolarHBondContact O-CB 3.33Å; C639-Q642 PolarHBondContact O-N 2.96Å; Q642-V644 VanDerWaalsContact C-N 3.3Å; Q642-V644 PolarHBondContact O-N 2.87Å; Q642-T658 WeakPolarHBondContact O-CA 3.14Å; Q642-T658 WeakPolarHBondContact O-CB 3.29Å; Q642-T658 PolarHBondContact O-N 2.78Å; Q642-T658 PolarHBondContact O-OG1 3.43Å
643	E	90.4	Very high	87.9	Confident	82 Å²	82	46.5 Å²	46.5	38%	0.383	25%	0.254	S	S	.	.	S	Bend	trans	-57	-37.6	-177.3	-58.1	176.2	118.4	0	0	113.6	Y636 C638 T658 V659 I660	Y636-E643 HydrophobicContact CE1-CB 4.36Å; Y636-E643 WeakPolarHBondContact CE1-OE2 3.22Å; C638-E643 HydrophobicContact CB-CB 4.29Å; C638-E643 WeakPolarHBondContact CB-OE2 3.06Å; E643-T658 CarbonylContact O-C 3.59Å; E643-V659 PolarHBondContact O-N 3.01Å; E643-I660 PolarHBondContact O-N 3.05Å
644	V	94.1	Very high	87.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.4	170.9	-177	0	0	0	0	108.9	A629 V632 Y636 G641 Q642 I660 Y662	A629-V644 WeakPolarHBondContact O-CG1 3.37Å; V632-V644 HydrophobicContact CB-CG1 4.33Å; V632-V644 HydrophobicContact CG1-CG1 4.12Å; V632-V644 HydrophobicContact CG1-CG2 4.16Å; Y636-V644 HydrophobicContact CD1-CG2 4.4Å; Y636-V644 HydrophobicContact CG-CG2 4.3Å; G641-V644 PolarHBondContact N-O 2.9Å; Q642-V644 VanDerWaalsContact C-N 3.3Å; Q642-V644 PolarHBondContact O-N 2.87Å; V644-I660 WeakPolarHBondContact CA-O 3.33Å; V644-I660 HydrophobicContact CG2-CB 4.39Å; V644-I660 HydrophobicContact CG2-CD1 4.44Å; V644-Y662 HydrophobicContact CG1-CD2 4.35Å; V644-Y662 HydrophobicContact CG1-CE2 4.27Å
645	G	94.3	Very high	87.9	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	173.4	-179.5	0	0	0	0	0	112.6	C653 I660 Y662	G645-C653 CarbonylContact C-O 3.38Å; G645-C653 WeakPolarHBondContact CA-O 3.25Å; G645-I660 PolarHBondContact N-O 3.48Å; G645-Y662 PolarHBondContact O-N 3.06Å
646	Y	94.6	Very high	88	Confident	15 Å²	15	51.1 Å²	51.1	6%	0.059	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.1	176.1	75	-85	0	0	0	114.3	M626 A629 L640 I648 E651 C653 Y662	M626-Y646 HydrophobicContact CE-CE2 4.15Å; M626-Y646 HydrophobicContact CG-CD2 4.02Å; M626-Y646 HydrophobicContact CG-CE2 3.65Å; A629-Y646 HydrophobicContact CB-CD1 4.09Å; A629-Y646 HydrophobicContact CB-CG 4.23Å; L640-Y646 HydrophobicContact CD1-CD1 4.07Å; L640-Y646 HydrophobicContact CD2-CD1 4.24Å; L640-Y646 HydrophobicContact CD2-CE1 3.89Å; L640-Y646 HydrophobicContact CG-CD1 4.26Å; L640-Y646 HydrophobicContact CG-CE1 4.22Å; Y646-I648 HydrophobicContact CD2-CD1 4.4Å; Y646-I648 HydrophobicContact CD2-CG1 4.36Å; Y646-I648 HydrophobicContact CD2-CG2 4.24Å; Y646-I648 HydrophobicContact CE2-CD1 4.06Å; Y646-I648 HydrophobicContact CE2-CG1 4.21Å; Y646-E651 HydrophobicContact CE2-CG 4.22Å; Y646-C653 HydrophobicContact CD1-CB 3.84Å; Y646-C653 HydrophobicContact CE1-CB 3.44Å; Y646-C653 VanDerWaalsContact CE1-CB 3.44Å; Y646-C653 HydrophobicContact CE2-CB 4.48Å; Y646-C653 PolarHBondContact N-O 2.68Å; Y646-C653 CarbonylContact O-C 3.55Å; Y646-C653 PolarHBondContact O-N 2.76Å; Y646-C653 PolarHBondContact OH-SG 2.81Å; Y646-Y662 CarbonylContact C-O 3.49Å; Y646-Y662 WeakPolarHBondContact CA-O 3.47Å; Y646-Y662 WeakPolarHBondContact CB-O 3.49Å
647	T	91.5	Very high	88.2	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	113	-178.9	-54.6	0	0	0	0	110.4	D652 T654 K661 Y662 M663 T664 M667	T647-D652 WeakPolarHBondContact CB-OD1 3.45Å; T647-D652 HydrophobicContact CG2-CB 4.3Å; T647-D652 PolarHBondContact OG1-OD1 3.03Å; T647-T654 WeakPolarHBondContact OG1-CG2 3.28Å; T647-K661 WeakPolarHBondContact OG1-CE 3.32Å; T647-Y662 PolarHBondContact N-O 3.41Å; T647-M663 WeakPolarHBondContact O-CA 3.49Å; T647-M663 WeakPolarHBondContact O-CB 3.18Å; T647-T664 PolarHBondContact O-N 3.42Å; T647-M667 HydrophobicContact CG2-CE 3.72Å
648	I	89.8	Confident	88.5	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	166.9	178.4	64.4	-177.7	0	0	0	110.5	R622 A625 M626 Y646 F650 E651 T664	R622-I648 HydrophobicContact CB-CD1 4.09Å; R622-I648 HydrophobicContact CG-CB 4.31Å; R622-I648 HydrophobicContact CG-CD1 4.26Å; R622-I648 VanDerWaalsContact CZ-CD1 3.41Å; A625-I648 HydrophobicContact CB-CG2 3.84Å; M626-I648 HydrophobicContact CE-CD1 4.4Å; M626-I648 HydrophobicContact CG-CD1 3.68Å; M626-I648 HydrophobicContact SD-CD1 3.58Å; M626-I648 VanDerWaalsContact SD-CD1 3.58Å; Y646-I648 HydrophobicContact CD2-CD1 4.4Å; Y646-I648 HydrophobicContact CD2-CG1 4.36Å; Y646-I648 HydrophobicContact CD2-CG2 4.24Å; Y646-I648 HydrophobicContact CE2-CD1 4.06Å; Y646-I648 HydrophobicContact CE2-CG1 4.21Å; I648-F650 PolarHBondContact O-N 3.43Å; I648-F650 VanDerWaalsContact O-N 3.09Å; I648-E651 HydrophobicContact CD1-CB 4.24Å; I648-E651 HydrophobicContact CD1-CG 4.49Å; I648-E651 HydrophobicContact CG1-CB 3.79Å; I648-E651 HydrophobicContact CG1-CG 4.41Å; I648-E651 WeakPolarHBondContact CG1-O 3.17Å; I648-E651 PolarHBondContact N-O 3.46Å; I648-E651 PolarHBondContact O-N 3.27Å; I648-T664 HydrophobicContact CB-CG2 4.28Å; I648-T664 HydrophobicContact CG2-CG2 3.86Å
649	R	82.1	Confident	88.8	Confident	105 Å²	105	51.4 Å²	51.4	40%	0.396	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	122.4	179	-163.7	178.8	173	-164.9	-5.4	110	R622 M667 P986	R622-R649 PolarHBondContact NE-O 3.01Å; R622-R649 PolarHBondContact NH2-O 2.81Å; R649-M667 HydrophobicContact CB-SD 4.38Å; R649-P986 PolarHBondContact NE-O 3.13Å; R649-P986 PolarHBondContact NH2-O 2.84Å
650	F	74.2	Confident	89	Confident	18 Å²	18	47.2 Å²	47.2	8%	0.079	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	9.5	-177.2	-41.7	-61	0	0	0	117.9	I648 P986 I1080 Q1083 M1084	I648-F650 PolarHBondContact O-N 3.43Å; I648-F650 VanDerWaalsContact O-N 3.09Å; F650-P986 HydrophobicContact CE1-CG 4.45Å; F650-I1080 HydrophobicContact CB-CG1 3.96Å; F650-I1080 HydrophobicContact CD1-CB 4.2Å; F650-I1080 HydrophobicContact CD1-CG1 3.55Å; F650-I1080 HydrophobicContact CD1-CG2 4.23Å; F650-I1080 HydrophobicContact CD2-CD1 3.99Å; F650-I1080 HydrophobicContact CD2-CG1 3.62Å; F650-I1080 HydrophobicContact CE1-CB 4.35Å; F650-I1080 HydrophobicContact CE1-CG1 3.82Å; F650-I1080 HydrophobicContact CE1-CG2 3.9Å; F650-I1080 HydrophobicContact CE2-CD1 3.99Å; F650-I1080 HydrophobicContact CE2-CG1 3.87Å; F650-I1080 HydrophobicContact CG-CD1 4.31Å; F650-I1080 HydrophobicContact CG-CG1 3.43Å; F650-I1080 VanDerWaalsContact CG-CG1 3.43Å; F650-I1080 HydrophobicContact CZ-CD1 4.32Å; F650-I1080 HydrophobicContact CZ-CG1 3.96Å; F650-I1080 HydrophobicContact CZ-CG2 4.28Å; F650-Q1083 VanDerWaalsContact CD1-OE1 3.31Å; F650-M1084 HydrophobicContact CD1-CE 4.34Å; F650-M1084 HydrophobicContact CE1-CE 3.98Å
651	E	81.3	Confident	89.3	Confident	75 Å²	75	45 Å²	45	35%	0.35	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	116.6	-175.6	-175.8	171.5	-163.9	0	0	110.1	R622 M626 Y646 I648	R622-E651 IonicContact CZ-OE2 3.71Å; R622-E651 IonicContact NH1-OE2 3.82Å; R622-E651 IonicContact NH2-OE2 3.45Å; R622-E651 PolarHBondContact NH2-OE2 3.33Å; M626-E651 WeakPolarHBondContact CE-OE1 3.47Å; Y646-E651 HydrophobicContact CE2-CG 4.22Å; I648-E651 HydrophobicContact CD1-CB 4.24Å; I648-E651 HydrophobicContact CD1-CG 4.49Å; I648-E651 HydrophobicContact CG1-CB 3.79Å; I648-E651 HydrophobicContact CG1-CG 4.41Å; I648-E651 WeakPolarHBondContact CG1-O 3.17Å; I648-E651 PolarHBondContact N-O 3.46Å; I648-E651 PolarHBondContact O-N 3.27Å
652	D	86.4	Confident	89.7	Confident	96 Å²	96	44.2 Å²	44.2	51%	0.513	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122.9	-174	-166.9	2.6	0	0	0	109.6	T647 T654	T647-D652 WeakPolarHBondContact CB-OD1 3.45Å; T647-D652 HydrophobicContact CG2-CB 4.3Å; T647-D652 PolarHBondContact OG1-OD1 3.03Å; D652-T654 PolarHBondContact OD1-OG1 3.29Å
653	C	88.9	Confident	89.9	Confident	48 Å²	48	40.2 Å²	40.2	32%	0.324	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	67.3	-179.7	-72.1	0	0	0	0	107.6	G641 G645 Y646	G641-C653 WeakPolarHBondContact CA-O 3.31Å; G645-C653 CarbonylContact C-O 3.38Å; G645-C653 WeakPolarHBondContact CA-O 3.25Å; Y646-C653 HydrophobicContact CD1-CB 3.84Å; Y646-C653 HydrophobicContact CE1-CB 3.44Å; Y646-C653 VanDerWaalsContact CE1-CB 3.44Å; Y646-C653 HydrophobicContact CE2-CB 4.48Å; Y646-C653 PolarHBondContact N-O 2.68Å; Y646-C653 CarbonylContact O-C 3.55Å; Y646-C653 PolarHBondContact O-N 2.76Å; Y646-C653 PolarHBondContact OH-SG 2.81Å
654	T	89.6	Confident	90	Very high	50 Å²	50	37 Å²	37	31%	0.307	20%	0.197	S	C	.	.			trans	-132.5	161.6	175.2	59.2	0	0	0	0	110.6	T647 D652 T658 K661	T647-T654 WeakPolarHBondContact OG1-CG2 3.28Å; D652-T654 PolarHBondContact OD1-OG1 3.29Å; T654-T658 HydrophobicContact CG2-CG2 4.22Å; T654-K661 HydrophobicContact CG2-CD 4.31Å; T654-K661 HydrophobicContact CG2-CG 4.05Å
655	S	89.6	Confident	89.9	Confident	34 Å²	34	37.1 Å²	37.1	24%	0.238	20%	0.198	C	C	.	.			trans	-136.1	172.2	177.4	63.2	0	0	0	0	110.1	K614 G641 E657 T658	K614-S655 PolarHBondContact NZ-O 3.15Å; G641-S655 WeakPolarHBondContact O-CB 3.43Å; G641-S655 PolarHBondContact O-N 2.79Å; G641-S655 PolarHBondContact O-OG 3.31Å; S655-E657 PolarHBondContact O-N 2.89Å; S655-E657 PolarHBondContact OG-N 3.09Å; S655-T658 PolarHBondContact N-OG1 2.84Å; S655-T658 WeakPolarHBondContact O-CB 3.28Å; S655-T658 PolarHBondContact O-N 3.07Å; S655-T658 VanDerWaalsContact O-N 3.08Å; S655-T658 PolarHBondContact O-OG1 3.16Å; S655-T658 PolarHBondContact OG-N 2.88Å; S655-T658 PolarHBondContact OG-OG1 3Å
656	P	87.6	Confident	89.6	Confident	127 Å²	127	38.2 Å²	38.2	83%	0.825	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-38.5	169.4	-26.6	36.7	0	0	0	112	K614 T658	K614-P656 PolarHBondContact NZ-O 3.42Å; P656-T658 VanDerWaalsContact C-N 3.26Å; P656-T658 PolarHBondContact O-N 2.87Å
657	E	89	Confident	89.5	Confident	128 Å²	128	38.3 Å²	38.3	60%	0.598	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.6	178.5	-59.7	175.1	173	0	0	114	S655 V659	S655-E657 PolarHBondContact O-N 2.89Å; S655-E657 PolarHBondContact OG-N 3.09Å; E657-V659 PolarHBondContact O-N 2.95Å; E657-V659 VanDerWaalsContact O-N 3.14Å
658	T	91.9	Very high	89.5	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.006	21%	0.21	C	C	.	.			trans	-65.3	116	-180	-58.3	0	0	0	0	112.1	K614 G641 Q642 E643 T654 S655 P656 I660 K661	K614-T658 VanDerWaalsContact CD-O 3.24Å; K614-T658 WeakPolarHBondContact CD-O 3.49Å; K614-T658 WeakPolarHBondContact CE-O 3.34Å; K614-T658 PolarHBondContact NZ-O 3.05Å; G641-T658 PolarHBondContact O-OG1 3.13Å; Q642-T658 WeakPolarHBondContact O-CA 3.14Å; Q642-T658 WeakPolarHBondContact O-CB 3.29Å; Q642-T658 PolarHBondContact O-N 2.78Å; Q642-T658 PolarHBondContact O-OG1 3.43Å; E643-T658 CarbonylContact O-C 3.59Å; T654-T658 HydrophobicContact CG2-CG2 4.22Å; S655-T658 PolarHBondContact N-OG1 2.84Å; S655-T658 WeakPolarHBondContact O-CB 3.28Å; S655-T658 PolarHBondContact O-N 3.07Å; S655-T658 VanDerWaalsContact O-N 3.08Å; S655-T658 PolarHBondContact O-OG1 3.16Å; S655-T658 PolarHBondContact OG-N 2.88Å; S655-T658 PolarHBondContact OG-OG1 3Å; P656-T658 VanDerWaalsContact C-N 3.26Å; P656-T658 PolarHBondContact O-N 2.87Å; T658-I660 VanDerWaalsContact CG2-O 3.28Å; T658-I660 WeakPolarHBondContact CG2-O 3.37Å; T658-K661 HydrophobicContact CG2-CB 4.21Å
659	V	92.5	Very high	89.5	Confident	42 Å²	42	38.5 Å²	38.5	26%	0.255	21%	0.212	S	C	.	.			trans	-96.4	-45.3	-179.6	172	0	0	0	0	111	T610 K614 I615 E643 E657	T610-V659 VanDerWaalsContact CB-CG1 3.43Å; T610-V659 HydrophobicContact CG2-CG1 3.09Å; K614-V659 WeakPolarHBondContact CA-O 3.4Å; I615-V659 PolarHBondContact N-O 2.92Å; E643-V659 PolarHBondContact O-N 3.01Å; E657-V659 PolarHBondContact O-N 2.95Å; E657-V659 VanDerWaalsContact O-N 3.14Å
660	I	94.4	Very high	89.8	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.1	175.6	-54.3	178.4	0	0	0	108.2	T601 A605 E643 V644 G645 T658 Y662	T601-I660 HydrophobicContact CG2-CG2 4.31Å; A605-I660 HydrophobicContact CB-CD1 3.88Å; A605-I660 HydrophobicContact CB-CG1 4.27Å; E643-I660 PolarHBondContact O-N 3.05Å; V644-I660 WeakPolarHBondContact CA-O 3.33Å; V644-I660 HydrophobicContact CG2-CB 4.39Å; V644-I660 HydrophobicContact CG2-CD1 4.44Å; G645-I660 PolarHBondContact N-O 3.48Å; T658-I660 VanDerWaalsContact CG2-O 3.28Å; T658-I660 WeakPolarHBondContact CG2-O 3.37Å; I660-Y662 HydrophobicContact CG2-CD2 4.23Å; I660-Y662 HydrophobicContact CG2-CE2 3.66Å
661	K	94.9	Very high	90.5	Very high	19 Å²	19	36.2 Å²	36.2	8%	0.083	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	110.5	-175.4	-174.4	-179.5	167.9	-170.6	0	110.9	I615 C617 T647 T654 T658 M663 E671 Y681	I615-K661 PolarHBondContact O-N 3.4Å; C617-K661 PolarHBondContact N-O 3.03Å; T647-K661 WeakPolarHBondContact OG1-CE 3.32Å; T654-K661 HydrophobicContact CG2-CD 4.31Å; T654-K661 HydrophobicContact CG2-CG 4.05Å; T658-K661 HydrophobicContact CG2-CB 4.21Å; K661-M663 HydrophobicContact CB-CE 4.32Å; K661-M663 HydrophobicContact CD-CE 4.05Å; K661-M663 HydrophobicContact CG-CE 4.01Å; K661-M663 WeakPolarHBondContact O-CE 3.48Å; K661-E671 IonicContact NZ-OE1 2.75Å; K661-E671 PolarHBondContact NZ-OE1 3.1Å; K661-E671 IonicContact NZ-OE2 2.98Å; K661-E671 PolarHBondContact NZ-OE2 3.4Å; K661-Y681 HydrophobicContact CD-CE1 4.44Å; K661-Y681 WeakPolarHBondContact CD-OH 3.48Å; K661-Y681 PolarHBondContact NZ-OH 3.36Å
662	Y	95.5	Very high	90.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.4	171.1	-72.1	-85.3	0	0	0	110.3	T597 T601 C617 V628 A629 V632 V644 G645 Y646 T647 I660	T597-Y662 HydrophobicContact CG2-CE1 4.23Å; T597-Y662 PolarHBondContact O-OH 3.45Å; T601-Y662 HydrophobicContact CG2-CE1 4.4Å; T601-Y662 PolarHBondContact OG1-OH 3.41Å; C617-Y662 HydrophobicContact CB-CD1 3.57Å; C617-Y662 HydrophobicContact CB-CE1 3.59Å; C617-Y662 HydrophobicContact CB-CG 4.35Å; C617-Y662 CarbonylContact O-C 3.54Å; C617-Y662 WeakPolarHBondContact O-CA 3.39Å; C617-Y662 WeakPolarHBondContact SG-CE1 3.3Å; V628-Y662 HydrophobicContact CB-CE1 4.4Å; V628-Y662 HydrophobicContact CG1-CD1 4.01Å; V628-Y662 HydrophobicContact CG1-CE1 3.44Å; V628-Y662 VanDerWaalsContact CG1-CE1 3.44Å; V628-Y662 HydrophobicContact CG1-CE2 4.42Å; A629-Y662 HydrophobicContact CB-CD2 3.75Å; A629-Y662 HydrophobicContact CB-CG 4.06Å; V632-Y662 HydrophobicContact CB-CE2 4.14Å; V632-Y662 HydrophobicContact CG1-CE2 4.16Å; V632-Y662 HydrophobicContact CG2-CE2 4.37Å; V644-Y662 HydrophobicContact CG1-CD2 4.35Å; V644-Y662 HydrophobicContact CG1-CE2 4.27Å; G645-Y662 PolarHBondContact O-N 3.06Å; Y646-Y662 CarbonylContact C-O 3.49Å; Y646-Y662 WeakPolarHBondContact CA-O 3.47Å; Y646-Y662 WeakPolarHBondContact CB-O 3.49Å; T647-Y662 PolarHBondContact N-O 3.41Å; I660-Y662 HydrophobicContact CG2-CD2 4.23Å; I660-Y662 HydrophobicContact CG2-CE2 3.66Å
663	M	94.6	Very high	90.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	160.1	-178.5	68.6	-163.5	92	0	0	112.6	C617 T618 Q619 T647 K661 M667 L668 Y681	C617-M663 PolarHBondContact O-N 2.79Å; T618-M663 CarbonylContact C-O 3.55Å; T618-M663 VanDerWaalsContact CA-O 3.24Å; T618-M663 WeakPolarHBondContact CA-O 3.28Å; T618-M663 HydrophobicContact CG2-CG 4.28Å; Q619-M663 PolarHBondContact N-O 3.35Å; T647-M663 WeakPolarHBondContact O-CA 3.49Å; T647-M663 WeakPolarHBondContact O-CB 3.18Å; K661-M663 HydrophobicContact CB-CE 4.32Å; K661-M663 HydrophobicContact CD-CE 4.05Å; K661-M663 HydrophobicContact CG-CE 4.01Å; K661-M663 WeakPolarHBondContact O-CE 3.48Å; M663-M667 HydrophobicContact CB-CB 4.43Å; M663-L668 HydrophobicContact CG-CB 4.3Å; M663-L668 HydrophobicContact SD-CB 3.71Å; M663-L668 HydrophobicContact SD-CD1 4.11Å; M663-L668 HydrophobicContact SD-CG 4.43Å; M663-Y681 HydrophobicContact CE-CE1 3.93Å
664	T	93.1	Very high	90.6	Very high	15 Å²	15	34.4 Å²	34.4	9%	0.092	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	145.7	166	43.2	0	0	0	0	110.9	Q619 R622 T647 I648 G666 M667 L668	Q619-T664 VanDerWaalsContact O-CA 3.28Å; Q619-T664 WeakPolarHBondContact O-CA 3.25Å; R622-T664 HydrophobicContact CB-CG2 4.43Å; R622-T664 HydrophobicContact CG-CG2 3.85Å; T647-T664 PolarHBondContact O-N 3.42Å; I648-T664 HydrophobicContact CB-CG2 4.28Å; I648-T664 HydrophobicContact CG2-CG2 3.86Å; T664-G666 VanDerWaalsContact C-N 3.27Å; T664-G666 PolarHBondContact O-N 3.45Å; T664-G666 VanDerWaalsContact O-N 3.15Å; T664-M667 WeakPolarHBondContact O-CA 3.37Å; T664-M667 WeakPolarHBondContact O-CB 3.48Å; T664-M667 PolarHBondContact O-N 3.12Å; T664-M667 WeakPolarHBondContact OG1-CG 3.38Å; T664-L668 PolarHBondContact O-N 2.72Å
665	D	91.4	Very high	90.6	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-45.9	-47.1	179.4	-65	12.2	0	0	0	113.1	T618 Q619 M667 L668 L669 H695 T696 L699	T618-D665 WeakPolarHBondContact CB-OD1 3.49Å; T618-D665 PolarHBondContact OG1-OD1 2.87Å; Q619-D665 VanDerWaalsContact C-OD1 3.31Å; Q619-D665 PolarHBondContact N-OD1 3.29Å; Q619-D665 PolarHBondContact O-N 2.76Å; D665-M667 PolarHBondContact O-N 3.32Å; D665-M667 VanDerWaalsContact O-N 3.16Å; D665-L668 PolarHBondContact O-N 3.13Å; D665-L668 VanDerWaalsContact O-N 3.11Å; D665-L669 PolarHBondContact O-N 3.18Å; D665-H695 HydrophobicContact CB-CB 3.75Å; D665-T696 WeakPolarHBondContact OD2-CB 3.27Å; D665-T696 PolarHBondContact OD2-OG1 3.18Å; D665-L699 HydrophobicContact CB-CD1 3.96Å
666	G	89.5	Confident	90.4	Very high	23 Å²	23	35.7 Å²	35.7	24%	0.237	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-14.5	177.4	0	0	0	0	0	115.7	T664 R670	T664-G666 VanDerWaalsContact C-N 3.27Å; T664-G666 PolarHBondContact O-N 3.45Å; T664-G666 VanDerWaalsContact O-N 3.15Å; G666-R670 PolarHBondContact O-N 3.32Å
667	M	90.7	Very high	90.3	Very high	17 Å²	17	33.1 Å²	33.1	8%	0.084	18%	0.178	C	C	.	.	H	α-helix	trans	-85.4	-39.4	170	-67.7	-57.2	-65.2	0	0	111.5	T647 R649 M663 T664 D665 L669 R670 E671	T647-M667 HydrophobicContact CG2-CE 3.72Å; R649-M667 HydrophobicContact CB-SD 4.38Å; M663-M667 HydrophobicContact CB-CB 4.43Å; T664-M667 WeakPolarHBondContact O-CA 3.37Å; T664-M667 WeakPolarHBondContact O-CB 3.48Å; T664-M667 PolarHBondContact O-N 3.12Å; T664-M667 WeakPolarHBondContact OG1-CG 3.38Å; D665-M667 PolarHBondContact O-N 3.32Å; D665-M667 VanDerWaalsContact O-N 3.16Å; M667-L669 VanDerWaalsContact C-N 3.3Å; M667-L669 PolarHBondContact O-N 2.72Å; M667-R670 PolarHBondContact O-N 3.45Å; M667-R670 VanDerWaalsContact O-N 3.13Å; M667-E671 PolarHBondContact O-N 2.91Å
668	L	92.4	Very high	90.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.9	-43.5	170.3	-179.8	59.8	0	0	0	110.5	T618 M663 T664 D665 R670 E671 C672 L678 Y681 I684 L686 L699 L703	T618-L668 HydrophobicContact CG2-CB 4.07Å; T618-L668 HydrophobicContact CG2-CD2 3.51Å; T618-L668 HydrophobicContact CG2-CG 4.42Å; M663-L668 HydrophobicContact CG-CB 4.3Å; M663-L668 HydrophobicContact SD-CB 3.71Å; M663-L668 HydrophobicContact SD-CD1 4.11Å; M663-L668 HydrophobicContact SD-CG 4.43Å; T664-L668 PolarHBondContact O-N 2.72Å; D665-L668 PolarHBondContact O-N 3.13Å; D665-L668 VanDerWaalsContact O-N 3.11Å; L668-R670 PolarHBondContact O-N 2.78Å; L668-E671 WeakPolarHBondContact O-CA 3.43Å; L668-E671 PolarHBondContact O-N 3.19Å; L668-C672 PolarHBondContact O-N 3.35Å; L668-C672 PolarHBondContact O-SG 3.4Å; L668-L678 HydrophobicContact CD1-CD2 3.99Å; L668-Y681 HydrophobicContact CD1-CE2 4.4Å; L668-I684 HydrophobicContact CD1-CD1 3.82Å; L668-I684 HydrophobicContact CD2-CD1 3.91Å; L668-I684 HydrophobicContact CD2-CG2 3.82Å; L668-L686 HydrophobicContact CD2-CD2 4.27Å; L668-L699 HydrophobicContact CB-CD1 4.28Å; L668-L699 HydrophobicContact CB-CD2 4.33Å; L668-L699 HydrophobicContact CD2-CD1 4.12Å; L668-L699 HydrophobicContact CD2-CD2 3.88Å; L668-L699 HydrophobicContact CG-CD1 4.45Å; L668-L699 HydrophobicContact CG-CD2 3.85Å; L668-L703 HydrophobicContact CD2-CD1 4.41Å
669	L	90.6	Very high	90.1	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.037	17%	0.172	C	C	.	.	H	α-helix	trans	-57.6	-34.4	175.6	-172.9	68.7	0	0	0	112.2	D665 M667 C672 L673 H695 V698 L699 L702 M937	D665-L669 PolarHBondContact O-N 3.18Å; M667-L669 VanDerWaalsContact C-N 3.3Å; M667-L669 PolarHBondContact O-N 2.72Å; L669-C672 WeakPolarHBondContact O-CB 3.47Å; L669-C672 PolarHBondContact O-N 2.93Å; L669-L673 PolarHBondContact O-N 3.47Å; L669-H695 HydrophobicContact CD2-CB 4.46Å; L669-H695 WeakPolarHBondContact CD2-ND1 3.25Å; L669-V698 HydrophobicContact CD1-CB 4.33Å; L669-V698 HydrophobicContact CD1-CG1 3.52Å; L669-L699 HydrophobicContact CB-CD2 4.34Å; L669-L699 HydrophobicContact CB-CG 4.49Å; L669-L699 HydrophobicContact CD1-CD2 4.26Å; L669-L699 HydrophobicContact CD1-CG 4.39Å; L669-L702 HydrophobicContact CD1-CD1 3.49Å; L669-L702 VanDerWaalsContact CD1-CD1 3.49Å; L669-M937 HydrophobicContact CD1-CE 3.74Å; L669-M937 HydrophobicContact CG-CE 4.19Å; L669-M937 VanDerWaalsContact O-CE 3.3Å; L669-M937 WeakPolarHBondContact O-CE 3.34Å
670	R	86.7	Confident	90	Very high	38 Å²	38	32.7 Å²	32.7	14%	0.143	19%	0.185	C	C	.	.	H	α-helix	trans	-76.7	-27.1	175.6	-167.6	174.9	-175	-143.3	-2.5	113.2	G666 M667 L668 L673 E984 I1087	G666-R670 PolarHBondContact O-N 3.32Å; M667-R670 PolarHBondContact O-N 3.45Å; M667-R670 VanDerWaalsContact O-N 3.13Å; L668-R670 PolarHBondContact O-N 2.78Å; R670-L673 HydrophobicContact CG-CD1 4.49Å; R670-L673 WeakPolarHBondContact O-CB 3.49Å; R670-L673 PolarHBondContact O-N 3.47Å; R670-E984 PolarHBondContact NH2-O 3.02Å; R670-I1087 VanDerWaalsContact NH2-CD1 3.27Å
671	E	89.1	Confident	89.9	Confident	36 Å²	36	32.8 Å²	32.8	17%	0.168	19%	0.186	C	C	.	.	H	α-helix	trans	-73.3	-34.9	170.4	-72.2	172.2	-147.7	0	0	110.7	K661 M667 L668 L673 I674 D675 Y681	K661-E671 IonicContact NZ-OE1 2.75Å; K661-E671 PolarHBondContact NZ-OE1 3.1Å; K661-E671 IonicContact NZ-OE2 2.98Å; K661-E671 PolarHBondContact NZ-OE2 3.4Å; M667-E671 PolarHBondContact O-N 2.91Å; L668-E671 WeakPolarHBondContact O-CA 3.43Å; L668-E671 PolarHBondContact O-N 3.19Å; E671-L673 PolarHBondContact O-N 2.75Å; E671-I674 PolarHBondContact O-N 3.19Å; E671-D675 PolarHBondContact O-N 2.81Å; E671-Y681 PolarHBondContact OE2-OH 3.37Å
672	C	89.3	Confident	89.8	Confident	6 Å²	6	32.2 Å²	32.2	4%	0.041	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-25.2	169.3	-56.4	0	0	0	0	113.7	L668 L669 I674 P676 L702 M937	L668-C672 PolarHBondContact O-N 3.35Å; L668-C672 PolarHBondContact O-SG 3.4Å; L669-C672 WeakPolarHBondContact O-CB 3.47Å; L669-C672 PolarHBondContact O-N 2.93Å; C672-I674 VanDerWaalsContact C-N 3.3Å; C672-P676 WeakPolarHBondContact O-CA 3.25Å; C672-L702 HydrophobicContact CB-CD1 4.46Å; C672-M937 HydrophobicContact CB-CE 3.75Å
673	L	85.4	Confident	89.8	Confident	50 Å²	50	32.2 Å²	32.2	26%	0.262	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-22.7	173.2	-75.3	169.8	0	0	0	113	L669 R670 E671 S933 A936 M937	L669-L673 PolarHBondContact O-N 3.47Å; R670-L673 HydrophobicContact CG-CD1 4.49Å; R670-L673 WeakPolarHBondContact O-CB 3.49Å; R670-L673 PolarHBondContact O-N 3.47Å; E671-L673 PolarHBondContact O-N 2.75Å; L673-S933 WeakPolarHBondContact CD2-O 3.43Å; L673-A936 HydrophobicContact CD2-CB 3.83Å; L673-M937 HydrophobicContact CD2-CE 3.75Å; L673-M937 HydrophobicContact CD2-CG 3.6Å; L673-M937 HydrophobicContact CG-CE 3.68Å; L673-M937 HydrophobicContact CG-CG 4.45Å
674	I	85.8	Confident	89.8	Confident	125 Å²	125	32.3 Å²	32.3	64%	0.641	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-39.8	-176.6	-59.4	171.7	0	0	0	110.4	E671 C672	E671-I674 PolarHBondContact O-N 3.19Å; C672-I674 VanDerWaalsContact C-N 3.3Å
675	D	87.8	Confident	89.9	Confident	45 Å²	45	31.7 Å²	31.7	24%	0.241	18%	0.181	C	C	.	.			trans	-135.1	88.4	-179.3	178.3	5.1	0	0	0	109.4	E671 D677 L678 G679	E671-D675 PolarHBondContact O-N 2.81Å; D675-D677 PolarHBondContact O-N 3Å; D675-D677 PolarHBondContact OD1-N 2.67Å; D675-L678 PolarHBondContact O-N 3.25Å; D675-L678 VanDerWaalsContact O-N 3.16Å; D675-L678 PolarHBondContact OD1-N 2.97Å; D675-G679 PolarHBondContact OD1-N 2.84Å; D675-G679 PolarHBondContact OD2-N 2.82Å
676	P	85.3	Confident	90	Very high	67 Å²	67	31.5 Å²	31.5	44%	0.435	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20	-177.3	-23.8	35	0	0	0	115.1	C672 T706	C672-P676 WeakPolarHBondContact O-CA 3.25Å; P676-T706 PolarHBondContact O-OG1 2.66Å
677	D	86.1	Confident	90	Very high	73 Å²	73	30.5 Å²	30.5	39%	0.39	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	1.3	179.1	-57.9	-48.5	0	0	0	112	D675 G679 K709 R710	D675-D677 PolarHBondContact O-N 3Å; D675-D677 PolarHBondContact OD1-N 2.67Å; D677-G679 VanDerWaalsContact C-N 3.3Å; D677-G679 PolarHBondContact O-N 2.99Å; D677-K709 WeakPolarHBondContact OD1-CD 3.48Å; D677-K709 IonicContact OD1-NZ 3.36Å; D677-K709 PolarHBondContact OD1-NZ 2.97Å; D677-R710 WeakPolarHBondContact O-CD 3.49Å; D677-R710 PolarHBondContact O-NH1 2.84Å; D677-R710 VanDerWaalsContact O-NH1 3.14Å
678	L	89.8	Confident	89.9	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.01	17%	0.168	C	C	.	.			trans	52.3	40.8	170.5	-67.9	167.2	0	0	0	113.8	L668 D675 Q680 Y681 I684 L703 R710 M713	L668-L678 HydrophobicContact CD1-CD2 3.99Å; D675-L678 PolarHBondContact O-N 3.25Å; D675-L678 VanDerWaalsContact O-N 3.16Å; D675-L678 PolarHBondContact OD1-N 2.97Å; L678-Q680 PolarHBondContact O-N 3.11Å; L678-Y681 HydrophobicContact CB-CD2 4.33Å; L678-Y681 HydrophobicContact CD2-CD2 4.23Å; L678-Y681 HydrophobicContact CD2-CE2 4.42Å; L678-Y681 PolarHBondContact O-N 3.4Å; L678-I684 HydrophobicContact CD1-CD1 3.88Å; L678-L703 HydrophobicContact CD1-CD2 3.54Å; L678-R710 VanDerWaalsContact C-NH1 3.28Å; L678-R710 PolarHBondContact O-NH1 2.87Å; L678-M713 HydrophobicContact CB-CE 4.36Å; L678-M713 HydrophobicContact CD1-CE 4.03Å
679	G	88.3	Confident	89.5	Confident	46 Å²	46	30.4 Å²	30.4	47%	0.474	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-22	-171.9	0	0	0	0	0	115.1	D675 D677 Y681	D675-G679 PolarHBondContact OD1-N 2.84Å; D675-G679 PolarHBondContact OD2-N 2.82Å; D677-G679 VanDerWaalsContact C-N 3.3Å; D677-G679 PolarHBondContact O-N 2.99Å; G679-Y681 VanDerWaalsContact C-N 3.3Å; G679-Y681 PolarHBondContact O-N 2.95Å
680	Q	89.4	Confident	89.2	Confident	114 Å²	114	30.8 Å²	30.8	53%	0.533	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-17.8	176.3	-58.4	-175	34.3	0	0	114.3	K614 L678	K614-Q680 PolarHBondContact N-O 2.98Å; L678-Q680 PolarHBondContact O-N 3.11Å
681	Y	93.1	Very high	88.8	Confident	3 Å²	3	30.9 Å²	30.9	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	142.6	-175.1	-62.7	-77	0	0	0	112.1	K614 K661 M663 L668 E671 L678 G679 I684 R710	K614-Y681 HydrophobicContact CB-CD1 4Å; K614-Y681 HydrophobicContact CB-CE1 4.09Å; K614-Y681 WeakPolarHBondContact O-CA 3.19Å; K661-Y681 HydrophobicContact CD-CE1 4.44Å; K661-Y681 WeakPolarHBondContact CD-OH 3.48Å; K661-Y681 PolarHBondContact NZ-OH 3.36Å; M663-Y681 HydrophobicContact CE-CE1 3.93Å; L668-Y681 HydrophobicContact CD1-CE2 4.4Å; E671-Y681 PolarHBondContact OE2-OH 3.37Å; L678-Y681 HydrophobicContact CB-CD2 4.33Å; L678-Y681 HydrophobicContact CD2-CD2 4.23Å; L678-Y681 HydrophobicContact CD2-CE2 4.42Å; L678-Y681 PolarHBondContact O-N 3.4Å; G679-Y681 VanDerWaalsContact C-N 3.3Å; G679-Y681 PolarHBondContact O-N 2.95Å; Y681-I684 HydrophobicContact CD2-CD1 4.29Å; Y681-I684 HydrophobicContact CG-CD1 4.2Å; Y681-I684 HydrophobicContact CG-CG1 4.24Å; Y681-R710 PolarHBondContact O-NH1 2.64Å; Y681-R710 VanDerWaalsContact O-NH1 3.14Å; Y681-R710 PolarHBondContact O-NH2 3.22Å
682	A	92.8	Very high	88.7	Confident	6 Å²	6	30 Å²	30	5%	0.05	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-38.7	171.1	0	0	0	0	0	111.8	R612 K614 K714	R612-A682 HydrophobicContact CB-CB 4.11Å; K614-A682 PolarHBondContact O-N 2.91Å; A682-K714 PolarHBondContact O-N 3.02Å; A682-K714 VanDerWaalsContact O-N 3.15Å
683	I	93.9	Very high	88.6	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	137.2	175.4	-52.3	-171.3	0	0	0	109.1	V580 L604 Y609 G616 K714 I716	V580-I683 HydrophobicContact CG1-CD1 4.25Å; L604-I683 HydrophobicContact CB-CD1 4.37Å; L604-I683 HydrophobicContact CD1-CD1 4Å; L604-I683 HydrophobicContact CD1-CG2 4.33Å; L604-I683 HydrophobicContact CD2-CD1 4.01Å; L604-I683 HydrophobicContact CG-CD1 4.35Å; Y609-I683 HydrophobicContact CD1-CD1 3.75Å; Y609-I683 HydrophobicContact CD1-CG1 4.28Å; Y609-I683 HydrophobicContact CD2-CD1 3.87Å; Y609-I683 HydrophobicContact CE1-CD1 4.18Å; Y609-I683 HydrophobicContact CE2-CD1 4.29Å; Y609-I683 HydrophobicContact CG-CD1 3.58Å; Y609-I683 HydrophobicContact CG-CG1 4.36Å; G616-I683 PolarHBondContact N-O 3.04Å; I683-K714 WeakPolarHBondContact CA-O 3.49Å; I683-K714 HydrophobicContact CG1-CB 4.23Å; I683-K714 HydrophobicContact CG2-CB 4.47Å; I683-I716 HydrophobicContact CG2-CD1 3.98Å; I683-I716 HydrophobicContact CG2-CG1 4.25Å
684	I	95.1	Very high	88.9	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.6	166.2	-64.8	-171.9	0	0	0	109.8	G616 L668 L678 Y681 L686 L703 M713 K714 I716	G616-I684 CarbonylContact O-C 3.54Å; G616-I684 WeakPolarHBondContact O-CA 3.23Å; L668-I684 HydrophobicContact CD1-CD1 3.82Å; L668-I684 HydrophobicContact CD2-CD1 3.91Å; L668-I684 HydrophobicContact CD2-CG2 3.82Å; L678-I684 HydrophobicContact CD1-CD1 3.88Å; Y681-I684 HydrophobicContact CD2-CD1 4.29Å; Y681-I684 HydrophobicContact CG-CD1 4.2Å; Y681-I684 HydrophobicContact CG-CG1 4.24Å; I684-L686 HydrophobicContact CG2-CD2 4Å; I684-L686 HydrophobicContact CG2-CG 4.4Å; I684-L703 HydrophobicContact CD1-CD2 4.24Å; I684-L703 HydrophobicContact CG2-CD1 4.44Å; I684-M713 HydrophobicContact CB-CE 4.2Å; I684-M713 HydrophobicContact CD1-CE 3.48Å; I684-M713 VanDerWaalsContact CD1-CE 3.48Å; I684-M713 HydrophobicContact CG1-CE 3.73Å; I684-K714 PolarHBondContact N-O 2.85Å; I684-K714 VanDerWaalsContact N-O 3.09Å; I684-I716 PolarHBondContact O-N 3.09Å
685	M	94.9	Very high	89.1	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.5	171.3	-166	179.7	92.4	0	0	109.3	T597 I600 G616 C617 T618 D687 I716 T718	T597-M685 HydrophobicContact CG2-CE 4.21Å; I600-M685 HydrophobicContact CB-SD 3.88Å; I600-M685 HydrophobicContact CD1-SD 4.1Å; I600-M685 HydrophobicContact CG2-SD 3.68Å; G616-M685 PolarHBondContact O-N 2.81Å; C617-M685 WeakPolarHBondContact CA-O 3.43Å; C617-M685 WeakPolarHBondContact SG-CE 3.34Å; T618-M685 PolarHBondContact N-O 2.87Å; M685-D687 HydrophobicContact CE-CB 3.81Å; M685-I716 CarbonylContact C-O 3.59Å; M685-I716 VanDerWaalsContact CA-O 3.3Å; M685-I716 WeakPolarHBondContact CA-O 3.41Å; M685-I716 HydrophobicContact CB-CB 4.32Å; M685-I716 HydrophobicContact CG-CB 4.01Å; M685-I716 HydrophobicContact CG-CG2 3.91Å; M685-T718 HydrophobicContact CG-CG2 4.33Å; M685-T718 HydrophobicContact SD-CG2 4.12Å
686	L	93.6	Very high	89.3	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	108.4	171.4	-59.1	179.6	0	0	0	108.2	T618 L668 I684 L699 F700 L703 L715 I716 T718	T618-L686 HydrophobicContact CG2-CD2 3.7Å; L668-L686 HydrophobicContact CD2-CD2 4.27Å; I684-L686 HydrophobicContact CG2-CD2 4Å; I684-L686 HydrophobicContact CG2-CG 4.4Å; L686-L699 HydrophobicContact CD2-CD1 4.35Å; L686-F700 HydrophobicContact CD1-CD1 3.54Å; L686-F700 HydrophobicContact CD1-CE1 3.59Å; L686-L703 HydrophobicContact CD1-CD1 3.8Å; L686-L703 HydrophobicContact CD2-CD1 3.92Å; L686-L703 HydrophobicContact CG-CD1 4.18Å; L686-L715 HydrophobicContact CD1-CD1 4.02Å; L686-L715 HydrophobicContact CG-CD1 4.05Å; L686-I716 PolarHBondContact N-O 2.85Å; L686-T718 PolarHBondContact O-N 2.66Å; L686-T718 PolarHBondContact O-OG1 3.14Å
687	D	91	Very high	89.5	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.118	C	C	.	.			trans	-109.8	155.5	-171.8	-170.4	41.1	0	0	0	114.2	T597 Q619 P620 M685 A689 T718	T597-D687 WeakPolarHBondContact CB-OD2 3.07Å; T597-D687 WeakPolarHBondContact CG2-OD2 3.37Å; T597-D687 PolarHBondContact OG1-OD2 2.69Å; Q619-D687 PolarHBondContact NE2-OD2 3.37Å; P620-D687 WeakPolarHBondContact CD-O 3.46Å; M685-D687 HydrophobicContact CE-CB 3.81Å; D687-A689 PolarHBondContact O-N 3.4Å; D687-T718 WeakPolarHBondContact CA-OG1 3.37Å; D687-T718 VanDerWaalsContact CB-OG1 3.22Å; D687-T718 WeakPolarHBondContact CB-OG1 3.24Å; D687-T718 VanDerWaalsContact CG-OG1 3.24Å; D687-T718 WeakPolarHBondContact OD1-CB 3.17Å; D687-T718 PolarHBondContact OD1-OG1 3.4Å
688	E	86.9	Confident	89.7	Confident	15 Å²	15	18.2 Å²	18.2	7%	0.07	10%	0.1	C	C	.	.	S	Bend	trans	49.9	37.4	-168.7	-58.9	-72.1	90.7	0	0	111.8	K596 P620 H690 E691 T718	K596-E688 IonicContact NZ-OE1 3.27Å; K596-E688 PolarHBondContact NZ-OE1 3.4Å; P620-E688 HydrophobicContact CG-CB 4.1Å; E688-H690 PolarHBondContact O-N 3.36Å; E688-H690 IonicContact OE1-CE1 2.73Å; E688-H690 IonicContact OE2-CE1 2.66Å; E688-H690 PolarHBondContact OE2-CE1 2.99Å; E688-H690 IonicContact OE2-NE2 2.74Å; E688-E691 HydrophobicContact CB-CG 4.44Å; E688-E691 PolarHBondContact O-N 2.91Å; E688-T718 PolarHBondContact N-O 3.02Å
689	A	85.9	Confident	89.8	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-53.6	-14.1	-175.2	0	0	0	0	0	115.5	D687 R692 F700 V717 T718 F727	D687-A689 PolarHBondContact O-N 3.4Å; A689-R692 WeakPolarHBondContact O-CD 3.23Å; A689-F700 HydrophobicContact CB-CE1 4.47Å; A689-F700 HydrophobicContact CB-CZ 4.05Å; A689-V717 HydrophobicContact CB-CG1 3.68Å; A689-T718 PolarHBondContact N-O 2.37Å; A689-F727 HydrophobicContact CB-CE1 4.08Å; A689-F727 HydrophobicContact CB-CZ 4.22Å
690	H	83.1	Confident	90	Very high	16 Å²	16	15.9 Å²	15.9	7%	0.074	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-81.3	-9.3	175.8	66.3	-88.7	0	0	0	114.3	E688 R692 T721 Q888	E688-H690 PolarHBondContact O-N 3.36Å; E688-H690 IonicContact OE1-CE1 2.73Å; E688-H690 IonicContact OE2-CE1 2.66Å; E688-H690 PolarHBondContact OE2-CE1 2.99Å; E688-H690 IonicContact OE2-NE2 2.74Å; H690-R692 PolarHBondContact O-N 3.42Å; H690-T721 HydrophobicContact CB-CG2 3.78Å; H690-T721 WeakPolarHBondContact CB-OG1 3.48Å; H690-Q888 PolarHBondContact CD2-NE2 2.83Å; H690-Q888 PolarHBondContact NE2-NE2 3.4Å
691	E	78.4	Confident	90	Very high	40 Å²	40	10.5 Å²	10.5	19%	0.187	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-69.6	-18.1	169.1	-61.1	-148.7	146.8	0	0	111.8	P620 R621 E688 T693 T846	P620-E691 HydrophobicContact CB-CB 4.43Å; P620-E691 WeakPolarHBondContact CB-OE2 3.33Å; P620-E691 HydrophobicContact CG-CB 4.27Å; P620-E691 HydrophobicContact CG-CG 4.1Å; P620-E691 VanDerWaalsContact CG-OE2 3.24Å; P620-E691 WeakPolarHBondContact CG-OE2 3.1Å; R621-E691 IonicContact CZ-OE1 2.67Å; R621-E691 IonicContact CZ-OE2 3.97Å; R621-E691 IonicContact NE-OE1 3.7Å; R621-E691 PolarHBondContact NE-OE1 2.81Å; R621-E691 VanDerWaalsContact NE-OE1 3.12Å; R621-E691 IonicContact NE-OE2 3.72Å; R621-E691 PolarHBondContact NE-OE2 3.48Å; R621-E691 IonicContact NH2-OE1 2.91Å; R621-E691 PolarHBondContact NH2-OE1 3.23Å; R621-E691 IonicContact NH2-OE2 3.87Å; E688-E691 HydrophobicContact CB-CG 4.44Å; E688-E691 PolarHBondContact O-N 2.91Å; E691-T693 VanDerWaalsContact C-N 3.35Å; E691-T693 HydrophobicContact CB-CG2 4.29Å; E691-T693 PolarHBondContact O-N 3.09Å; E691-T846 WeakPolarHBondContact OE1-CB 3.36Å; E691-T846 WeakPolarHBondContact OE1-CG2 3.32Å; E691-T846 PolarHBondContact OE1-OG1 2.66Å
692	R	86.4	Confident	89.9	Confident	17 Å²	17	11.3 Å²	11.3	6%	0.064	6%	0.056	C	C	.	.			trans	48	50.7	172	-64.9	-64.3	-55.5	-80.7	-6.2	113.4	A689 H690 D697 P920 E921 D949	A689-R692 WeakPolarHBondContact O-CD 3.23Å; H690-R692 PolarHBondContact O-N 3.42Å; R692-D697 IonicContact CZ-OD1 3.2Å; R692-D697 IonicContact CZ-OD2 2.68Å; R692-D697 IonicContact NE-OD1 2.67Å; R692-D697 PolarHBondContact NE-OD1 3.16Å; R692-D697 IonicContact NE-OD2 3.87Å; R692-D697 PolarHBondContact NE-OD2 3.09Å; R692-D697 IonicContact NH2-OD1 3.15Å; R692-D697 IonicContact NH2-OD2 3.99Å; R692-D697 PolarHBondContact NH2-OD2 2.81Å; R692-P920 HydrophobicContact CB-CB 4.4Å; R692-E921 WeakPolarHBondContact O-CB 3.36Å; R692-E921 PolarHBondContact O-N 2.9Å; R692-D949 IonicContact CZ-OD2 3.82Å; R692-D949 VanDerWaalsContact CZ-OD2 3.26Å; R692-D949 IonicContact NH1-OD2 3.81Å; R692-D949 PolarHBondContact NH1-OD2 3.04Å; R692-D949 IonicContact NH2-OD2 2.98Å; R692-D949 PolarHBondContact NH2-OD2 3.14Å
693	T	88.5	Confident	89.8	Confident	20 Å²	20	11 Å²	11	12%	0.123	5%	0.053	C	C	.	.			trans	-72.5	158.5	177.7	85.8	0	0	0	0	110.9	P620 E691 H695 T696 D697 E921	P620-T693 HydrophobicContact CB-CG2 3.77Å; E691-T693 VanDerWaalsContact C-N 3.35Å; E691-T693 HydrophobicContact CB-CG2 4.29Å; E691-T693 PolarHBondContact O-N 3.09Å; T693-H695 PolarHBondContact O-N 3.36Å; T693-H695 PolarHBondContact OG1-N 3.14Å; T693-T696 PolarHBondContact O-N 2.93Å; T693-T696 VanDerWaalsContact O-N 3.1Å; T693-T696 PolarHBondContact OG1-N 2.64Å; T693-T696 VanDerWaalsContact OG1-N 3.16Å; T693-T696 PolarHBondContact OG1-OG1 3Å; T693-D697 PolarHBondContact O-N 3.45Å; T693-E921 WeakPolarHBondContact CA-OE2 3.35Å; T693-E921 VanDerWaalsContact CB-OE2 3.31Å; T693-E921 WeakPolarHBondContact CB-OE2 3.49Å
694	I	89.9	Confident	89.7	Confident	20 Å²	20	11.6 Å²	11.6	10%	0.103	6%	0.056	C	C	.	.	H	α-helix	trans	-54.3	-41.5	178	-50.4	156.8	0	0	0	110.7	V698 E921 I922 T925 L927 T930	I694-V698 VanDerWaalsContact O-CG2 3.25Å; I694-V698 WeakPolarHBondContact O-CG2 3.32Å; I694-V698 PolarHBondContact O-N 3.38Å; I694-V698 VanDerWaalsContact O-N 3.17Å; I694-E921 HydrophobicContact CD1-CG 4.12Å; I694-E921 HydrophobicContact CG1-CB 3.96Å; I694-E921 HydrophobicContact CG1-CG 3.68Å; I694-E921 WeakPolarHBondContact CG1-OE2 3.34Å; I694-E921 PolarHBondContact N-OE2 3.48Å; I694-I922 HydrophobicContact CG2-CB 4.49Å; I694-I922 HydrophobicContact CG2-CG1 4.27Å; I694-T925 HydrophobicContact CD1-CG2 4.3Å; I694-T925 WeakPolarHBondContact CD1-OG1 3.47Å; I694-T925 WeakPolarHBondContact CG1-OG1 3.5Å; I694-L927 HydrophobicContact CG2-CD2 4.37Å; I694-T930 HydrophobicContact CG2-CG2 4Å; I694-T930 VanDerWaalsContact CG2-OG1 3.29Å; I694-T930 WeakPolarHBondContact CG2-OG1 3.48Å
695	H	90.9	Very high	89.3	Confident	72 Å²	72	15.3 Å²	15.3	33%	0.333	7%	0.072	S	C	.	.	H	α-helix	trans	-71.7	-37	-178.9	-61.6	-42.8	0	0	0	112.3	D665 L669 T693 L699	D665-H695 HydrophobicContact CB-CB 3.75Å; L669-H695 HydrophobicContact CD2-CB 4.46Å; L669-H695 WeakPolarHBondContact CD2-ND1 3.25Å; T693-H695 PolarHBondContact O-N 3.36Å; T693-H695 PolarHBondContact OG1-N 3.14Å; H695-L699 VanDerWaalsContact O-CB 3.3Å; H695-L699 WeakPolarHBondContact O-CB 3.4Å; H695-L699 WeakPolarHBondContact O-CG 3.16Å; H695-L699 PolarHBondContact O-N 3.11Å
696	T	91.1	Very high	89.1	Confident	3 Å²	3	15.7 Å²	15.7	2%	0.018	8%	0.075	C	C	.	.	H	α-helix	trans	-64.3	-45.3	176.8	-31.3	0	0	0	0	110.8	D665 T693 V698 L699 F700	D665-T696 WeakPolarHBondContact OD2-CB 3.27Å; D665-T696 PolarHBondContact OD2-OG1 3.18Å; T693-T696 PolarHBondContact O-N 2.93Å; T693-T696 VanDerWaalsContact O-N 3.1Å; T693-T696 PolarHBondContact OG1-N 2.64Å; T693-T696 VanDerWaalsContact OG1-N 3.16Å; T693-T696 PolarHBondContact OG1-OG1 3Å; T696-V698 PolarHBondContact O-N 3.17Å; T696-L699 WeakPolarHBondContact O-CB 3.24Å; T696-L699 PolarHBondContact O-N 2.94Å; T696-F700 HydrophobicContact CG2-CE1 3.85Å; T696-F700 HydrophobicContact CG2-CE2 4.16Å; T696-F700 HydrophobicContact CG2-CZ 3.54Å; T696-F700 VanDerWaalsContact O-CG 3.32Å; T696-F700 WeakPolarHBondContact O-CG 3.43Å; T696-F700 PolarHBondContact O-N 2.95Å
697	D	90	Very high	89	Confident	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-66.7	-37.2	-178.9	-80.1	19.5	0	0	0	112.8	R692 T693 G701	R692-D697 IonicContact CZ-OD1 3.2Å; R692-D697 IonicContact CZ-OD2 2.68Å; R692-D697 IonicContact NE-OD1 2.67Å; R692-D697 PolarHBondContact NE-OD1 3.16Å; R692-D697 IonicContact NE-OD2 3.87Å; R692-D697 PolarHBondContact NE-OD2 3.09Å; R692-D697 IonicContact NH2-OD1 3.15Å; R692-D697 IonicContact NH2-OD2 3.99Å; R692-D697 PolarHBondContact NH2-OD2 2.81Å; T693-D697 PolarHBondContact O-N 3.45Å; D697-G701 PolarHBondContact O-N 3.16Å
698	V	90.7	Very high	88.9	Confident	2 Å²	2	21.7 Å²	21.7	1%	0.012	10%	0.103	C	C	.	.	H	α-helix	trans	-68	-42.7	172.1	172.8	0	0	0	0	111	L669 I694 T696 F700 G701 L702 I922 T930 L934 F947	L669-V698 HydrophobicContact CD1-CB 4.33Å; L669-V698 HydrophobicContact CD1-CG1 3.52Å; I694-V698 VanDerWaalsContact O-CG2 3.25Å; I694-V698 WeakPolarHBondContact O-CG2 3.32Å; I694-V698 PolarHBondContact O-N 3.38Å; I694-V698 VanDerWaalsContact O-N 3.17Å; T696-V698 PolarHBondContact O-N 3.17Å; V698-F700 VanDerWaalsContact C-N 3.29Å; V698-F700 PolarHBondContact O-N 3.46Å; V698-G701 PolarHBondContact O-N 3.36Å; V698-L702 HydrophobicContact CG1-CD1 3.79Å; V698-L702 HydrophobicContact CG1-CG 4.26Å; V698-L702 WeakPolarHBondContact O-CG 3.43Å; V698-L702 PolarHBondContact O-N 3Å; V698-I922 HydrophobicContact CG2-CD1 4.45Å; V698-T930 HydrophobicContact CG2-CG2 3.59Å; V698-L934 HydrophobicContact CG1-CD2 3.87Å; V698-F947 HydrophobicContact CG2-CE1 4.3Å
699	L	91.9	Very high	89	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.8	-35.9	176.2	-79	170.3	0	0	0	112.1	D665 L668 L669 L686 H695 T696 L702 L703	D665-L699 HydrophobicContact CB-CD1 3.96Å; L668-L699 HydrophobicContact CB-CD1 4.28Å; L668-L699 HydrophobicContact CB-CD2 4.33Å; L668-L699 HydrophobicContact CD2-CD1 4.12Å; L668-L699 HydrophobicContact CD2-CD2 3.88Å; L668-L699 HydrophobicContact CG-CD1 4.45Å; L668-L699 HydrophobicContact CG-CD2 3.85Å; L669-L699 HydrophobicContact CB-CD2 4.34Å; L669-L699 HydrophobicContact CB-CG 4.49Å; L669-L699 HydrophobicContact CD1-CD2 4.26Å; L669-L699 HydrophobicContact CD1-CG 4.39Å; L686-L699 HydrophobicContact CD2-CD1 4.35Å; H695-L699 VanDerWaalsContact O-CB 3.3Å; H695-L699 WeakPolarHBondContact O-CB 3.4Å; H695-L699 WeakPolarHBondContact O-CG 3.16Å; H695-L699 PolarHBondContact O-N 3.11Å; T696-L699 WeakPolarHBondContact O-CB 3.24Å; T696-L699 PolarHBondContact O-N 2.94Å; L699-L702 PolarHBondContact O-N 3.21Å; L699-L703 HydrophobicContact CB-CD1 4.19Å; L699-L703 HydrophobicContact CD2-CD1 4.37Å; L699-L703 WeakPolarHBondContact O-CB 3.37Å; L699-L703 WeakPolarHBondContact O-CD1 3.27Å; L699-L703 VanDerWaalsContact O-CG 3.29Å; L699-L703 WeakPolarHBondContact O-CG 3.43Å; L699-L703 PolarHBondContact O-N 3.4Å
700	F	91.9	Very high	89.1	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.7	-52.3	173.5	-63.2	-31.9	0	0	0	111.7	L686 A689 T696 V698 L702 L703 K704 V717 F727 Y730 F731 M948	L686-F700 HydrophobicContact CD1-CD1 3.54Å; L686-F700 HydrophobicContact CD1-CE1 3.59Å; A689-F700 HydrophobicContact CB-CE1 4.47Å; A689-F700 HydrophobicContact CB-CZ 4.05Å; T696-F700 HydrophobicContact CG2-CE1 3.85Å; T696-F700 HydrophobicContact CG2-CE2 4.16Å; T696-F700 HydrophobicContact CG2-CZ 3.54Å; T696-F700 VanDerWaalsContact O-CG 3.32Å; T696-F700 WeakPolarHBondContact O-CG 3.43Å; T696-F700 PolarHBondContact O-N 2.95Å; V698-F700 VanDerWaalsContact C-N 3.29Å; V698-F700 PolarHBondContact O-N 3.46Å; F700-L702 VanDerWaalsContact C-N 3.32Å; F700-L702 PolarHBondContact O-N 3.45Å; F700-L703 PolarHBondContact O-N 2.68Å; F700-K704 WeakPolarHBondContact O-CB 3.24Å; F700-K704 PolarHBondContact O-N 3.44Å; F700-V717 HydrophobicContact CE1-CG1 4.34Å; F700-F727 AromaticContact CE2-CE1 3.94Å; F700-F727 HydrophobicContact CE2-CE1 3.94Å; F700-F727 HydrophobicContact CZ-CD1 4.43Å; F700-F727 AromaticContact CZ-CE1 3.72Å; F700-F727 HydrophobicContact CZ-CE1 3.72Å; F700-Y730 HydrophobicContact CB-CE1 3.82Å; F700-F731 HydrophobicContact CB-CZ 3.95Å; F700-F731 HydrophobicContact CD1-CE2 4.14Å; F700-F731 AromaticContact CD1-CZ 3.72Å; F700-F731 HydrophobicContact CD1-CZ 3.72Å; F700-F731 HydrophobicContact CG-CE2 4.49Å; F700-F731 HydrophobicContact CG-CZ 4.02Å; F700-M948 HydrophobicContact CD2-CE 3.89Å; F700-M948 HydrophobicContact CE2-CE 4.08Å
701	G	89.9	Confident	89.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-69.5	-25.2	-178.7	0	0	0	0	0	114.6	D697 V698 K705 Y730	D697-G701 PolarHBondContact O-N 3.16Å; V698-G701 PolarHBondContact O-N 3.36Å; G701-K705 WeakPolarHBondContact O-CD 3.45Å; G701-K705 WeakPolarHBondContact O-CG 3.5Å; G701-Y730 VanDerWaalsContact CA-OH 3.22Å; G701-Y730 WeakPolarHBondContact CA-OH 3.4Å; G701-Y730 PolarHBondContact N-OH 3.31Å
702	L	90.4	Very high	89.7	Confident	20 Å²	20	36.5 Å²	36.5	11%	0.105	18%	0.179	C	C	.	.	H	α-helix	trans	-74.9	-56	170.9	-68.5	171.6	0	0	0	111.2	L669 C672 V698 L699 F700 K704 K705 T706 M937 I939 F945	L669-L702 HydrophobicContact CD1-CD1 3.49Å; L669-L702 VanDerWaalsContact CD1-CD1 3.49Å; C672-L702 HydrophobicContact CB-CD1 4.46Å; V698-L702 HydrophobicContact CG1-CD1 3.79Å; V698-L702 HydrophobicContact CG1-CG 4.26Å; V698-L702 WeakPolarHBondContact O-CG 3.43Å; V698-L702 PolarHBondContact O-N 3Å; L699-L702 PolarHBondContact O-N 3.21Å; F700-L702 VanDerWaalsContact C-N 3.32Å; F700-L702 PolarHBondContact O-N 3.45Å; L702-K704 VanDerWaalsContact C-N 3.31Å; L702-K704 PolarHBondContact O-N 3.42Å; L702-K705 WeakPolarHBondContact O-CA 3.18Å; L702-K705 WeakPolarHBondContact O-CB 3.38Å; L702-K705 PolarHBondContact O-N 3.28Å; L702-T706 PolarHBondContact O-N 3.35Å; L702-T706 PolarHBondContact O-OG1 3.19Å; L702-M937 HydrophobicContact CD1-CE 3.85Å; L702-M937 HydrophobicContact CD1-SD 3.52Å; L702-M937 VanDerWaalsContact CD1-SD 3.52Å; L702-M937 HydrophobicContact CD2-SD 3.58Å; L702-M937 VanDerWaalsContact CD2-SD 3.58Å; L702-M937 HydrophobicContact CG-SD 4.21Å; L702-I939 HydrophobicContact CD2-CD1 3.63Å; L702-F945 HydrophobicContact CG-CZ 4.49Å
703	L	91.5	Very high	89.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.5	-33.9	-175.1	-70.2	163.8	0	0	0	111.7	L668 L678 I684 L686 L699 F700 K705 T706 V707 M713 L715	L668-L703 HydrophobicContact CD2-CD1 4.41Å; L678-L703 HydrophobicContact CD1-CD2 3.54Å; I684-L703 HydrophobicContact CD1-CD2 4.24Å; I684-L703 HydrophobicContact CG2-CD1 4.44Å; L686-L703 HydrophobicContact CD1-CD1 3.8Å; L686-L703 HydrophobicContact CD2-CD1 3.92Å; L686-L703 HydrophobicContact CG-CD1 4.18Å; L699-L703 HydrophobicContact CB-CD1 4.19Å; L699-L703 HydrophobicContact CD2-CD1 4.37Å; L699-L703 WeakPolarHBondContact O-CB 3.37Å; L699-L703 WeakPolarHBondContact O-CD1 3.27Å; L699-L703 VanDerWaalsContact O-CG 3.29Å; L699-L703 WeakPolarHBondContact O-CG 3.43Å; L699-L703 PolarHBondContact O-N 3.4Å; F700-L703 PolarHBondContact O-N 2.68Å; L703-K705 VanDerWaalsContact C-N 3.25Å; L703-K705 PolarHBondContact O-N 3.41Å; L703-T706 PolarHBondContact O-N 3.06Å; L703-V707 WeakPolarHBondContact O-CB 3.31Å; L703-V707 WeakPolarHBondContact O-CG2 3.32Å; L703-V707 PolarHBondContact O-N 3.41Å; L703-M713 HydrophobicContact CD2-CE 3.69Å; L703-L715 HydrophobicContact CB-CD1 4.48Å; L703-L715 HydrophobicContact CB-CD2 4.23Å; L703-L715 HydrophobicContact CD1-CD1 4.11Å
704	K	90.7	Very high	90.1	Very high	14 Å²	14	36.2 Å²	36.2	6%	0.061	18%	0.177	C	C	.	.	H	α-helix	trans	-55.1	-40.6	170.4	-174.4	170.9	173.1	-173.1	0	112	F700 L702 Q708 Y730 F731 Y732 D946	F700-K704 WeakPolarHBondContact O-CB 3.24Å; F700-K704 PolarHBondContact O-N 3.44Å; L702-K704 VanDerWaalsContact C-N 3.31Å; L702-K704 PolarHBondContact O-N 3.42Å; K704-Q708 WeakPolarHBondContact O-CG 3.21Å; K704-Q708 PolarHBondContact O-N 2.84Å; K704-Y730 HydrophobicContact CD-CD1 4.27Å; K704-Y730 HydrophobicContact CD-CE1 3.61Å; K704-Y730 HydrophobicContact CD-CE2 4.27Å; K704-Y730 WeakPolarHBondContact CE-O 3.35Å; K704-Y730 PolarHBondContact NZ-O 3.41Å; K704-F731 HydrophobicContact CB-CD1 4.45Å; K704-F731 HydrophobicContact CB-CE1 4.12Å; K704-F731 HydrophobicContact CD-CD1 4.49Å; K704-F731 HydrophobicContact CG-CD1 4.46Å; K704-Y732 HydrophobicContact CD-CE2 4.4Å; K704-Y732 VanDerWaalsContact CE-CZ 3.46Å; K704-Y732 VanDerWaalsContact CE-OH 3.26Å; K704-Y732 WeakPolarHBondContact CE-OH 3.39Å; K704-Y732 HydrophobicContact CG-CE2 3.76Å; K704-Y732 WeakPolarHBondContact CG-OH 3.33Å; K704-D946 VanDerWaalsContact CD-OD2 3.31Å; K704-D946 WeakPolarHBondContact CD-OD2 3.21Å; K704-D946 WeakPolarHBondContact CE-OD2 3.49Å; K704-D946 IonicContact NZ-OD1 2.63Å; K704-D946 PolarHBondContact NZ-OD1 2.65Å; K704-D946 IonicContact NZ-OD2 3.44Å; K704-D946 PolarHBondContact NZ-OD2 2.62Å
705	K	88.4	Confident	90.3	Very high	78 Å²	78	35.3 Å²	35.3	34%	0.339	17%	0.172	S	C	.	.	H	α-helix	trans	-77.1	-37.7	176	-66.6	172.2	-179.4	174.3	0	112.7	G701 L702 L703 Q708 K709	G701-K705 WeakPolarHBondContact O-CD 3.45Å; G701-K705 WeakPolarHBondContact O-CG 3.5Å; L702-K705 WeakPolarHBondContact O-CA 3.18Å; L702-K705 WeakPolarHBondContact O-CB 3.38Å; L702-K705 PolarHBondContact O-N 3.28Å; L703-K705 VanDerWaalsContact C-N 3.25Å; L703-K705 PolarHBondContact O-N 3.41Å; K705-Q708 PolarHBondContact O-N 3.07Å; K705-K709 PolarHBondContact O-N 3.45Å
706	T	89.9	Confident	90.5	Very high	11 Å²	11	31.9 Å²	31.9	7%	0.067	16%	0.156	C	C	.	.	H	α-helix	trans	-67.4	-42.6	176.7	-56.6	0	0	0	0	111.6	P676 L702 L703 Q708 K709 R710 M713	P676-T706 PolarHBondContact O-OG1 2.66Å; L702-T706 PolarHBondContact O-N 3.35Å; L702-T706 PolarHBondContact O-OG1 3.19Å; L703-T706 PolarHBondContact O-N 3.06Å; T706-Q708 VanDerWaalsContact C-N 3.33Å; T706-Q708 PolarHBondContact O-N 2.63Å; T706-K709 WeakPolarHBondContact O-CB 3.22Å; T706-K709 PolarHBondContact O-N 2.73Å; T706-K709 VanDerWaalsContact O-N 3.1Å; T706-R710 VanDerWaalsContact O-CB 3.3Å; T706-R710 WeakPolarHBondContact O-CB 3.46Å; T706-R710 PolarHBondContact O-N 2.92Å; T706-M713 HydrophobicContact CG2-SD 3.93Å
707	V	91	Very high	90.6	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.024	16%	0.155	C	C	.	.	H	α-helix	trans	-59.6	-40.1	175.3	166.6	0	0	0	0	111.5	Q584 I585 L703 K709 R710 L715	Q584-V707 VanDerWaalsContact CD-CG1 3.48Å; Q584-V707 HydrophobicContact CG-CG1 4.08Å; Q584-V707 VanDerWaalsContact NE2-CG1 3.34Å; Q584-V707 PolarHBondContact NE2-O 3.4Å; I585-V707 HydrophobicContact CD1-CG1 4.02Å; I585-V707 HydrophobicContact CG1-CG1 3.86Å; L703-V707 WeakPolarHBondContact O-CB 3.31Å; L703-V707 WeakPolarHBondContact O-CG2 3.32Å; L703-V707 PolarHBondContact O-N 3.41Å; V707-K709 PolarHBondContact O-N 2.82Å; V707-R710 CarbonylContact O-C 3.47Å; V707-R710 PolarHBondContact O-N 3.13Å; V707-L715 HydrophobicContact CG2-CB 4.01Å; V707-L715 HydrophobicContact CG2-CD2 4.33Å
708	Q	89.1	Confident	90.6	Very high	122 Å²	122	31.7 Å²	31.7	57%	0.57	16%	0.155	S	C	*	.	H	α-helix	trans	-63.6	-35.6	173.3	-78.1	-173	-42	0	0	113.8	K704 K705 T706 Y732	K704-Q708 WeakPolarHBondContact O-CG 3.21Å; K704-Q708 PolarHBondContact O-N 2.84Å; K705-Q708 PolarHBondContact O-N 3.07Å; T706-Q708 VanDerWaalsContact C-N 3.33Å; T706-Q708 PolarHBondContact O-N 2.63Å; Q708-Y732 VanDerWaalsContact CD-OH 3.3Å; Q708-Y732 HydrophobicContact CG-CE2 4.32Å; Q708-Y732 PolarHBondContact NE2-OH 2.86Å; Q708-Y732 VanDerWaalsContact NE2-OH 3.08Å
709	K	89.3	Confident	90.3	Very high	142 Å²	142	31.7 Å²	31.7	62%	0.617	16%	0.155	S	C	*	.	H	α-helix	trans	-75.5	-35.9	175.2	-68.8	169.7	166	-176.1	0	112.7	D677 K705 T706 V707	D677-K709 WeakPolarHBondContact OD1-CD 3.48Å; D677-K709 IonicContact OD1-NZ 3.36Å; D677-K709 PolarHBondContact OD1-NZ 2.97Å; K705-K709 PolarHBondContact O-N 3.45Å; T706-K709 WeakPolarHBondContact O-CB 3.22Å; T706-K709 PolarHBondContact O-N 2.73Å; T706-K709 VanDerWaalsContact O-N 3.1Å; V707-K709 PolarHBondContact O-N 2.82Å
710	R	87.9	Confident	89.4	Confident	37 Å²	37	32.9 Å²	32.9	14%	0.14	17%	0.165	C	C	.	.			trans	-124.4	86	-160.7	-171.1	177.1	166.6	-149.3	-13.6	111.2	Q584 D677 L678 Y681 T706 V707 D712 M713	Q584-R710 PolarHBondContact NE2-O 3.05Å; D677-R710 WeakPolarHBondContact O-CD 3.49Å; D677-R710 PolarHBondContact O-NH1 2.84Å; D677-R710 VanDerWaalsContact O-NH1 3.14Å; L678-R710 VanDerWaalsContact C-NH1 3.28Å; L678-R710 PolarHBondContact O-NH1 2.87Å; Y681-R710 PolarHBondContact O-NH1 2.64Å; Y681-R710 VanDerWaalsContact O-NH1 3.14Å; Y681-R710 PolarHBondContact O-NH2 3.22Å; T706-R710 VanDerWaalsContact O-CB 3.3Å; T706-R710 WeakPolarHBondContact O-CB 3.46Å; T706-R710 PolarHBondContact O-N 2.92Å; V707-R710 CarbonylContact O-C 3.47Å; V707-R710 PolarHBondContact O-N 3.13Å; R710-D712 VanDerWaalsContact C-N 3.28Å; R710-D712 WeakPolarHBondContact CG-OD1 3.41Å; R710-D712 IonicContact CZ-OD2 2.66Å; R710-D712 VanDerWaalsContact CZ-OD2 3.27Å; R710-D712 IonicContact NE-OD1 3.38Å; R710-D712 PolarHBondContact NE-OD1 2.86Å; R710-D712 IonicContact NE-OD2 3.56Å; R710-D712 PolarHBondContact NE-OD2 2.83Å; R710-D712 IonicContact NH2-OD2 3.67Å; R710-D712 PolarHBondContact NH2-OD2 2.89Å; R710-D712 PolarHBondContact O-N 3.08Å; R710-M713 HydrophobicContact CB-CB 4.41Å; R710-M713 HydrophobicContact CG-CB 3.99Å; R710-M713 WeakPolarHBondContact O-CB 3.19Å; R710-M713 PolarHBondContact O-N 2.81Å
711	T	86.1	Confident	88.3	Confident	116 Å²	116	34.1 Å²	34.1	71%	0.712	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-16.1	-173.8	53.3	0	0	0	0	115.1
712	D	88.3	Confident	86.8	Confident	88 Å²	88	40.3 Å²	40.3	47%	0.471	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-20.3	173.6	64	-70.9	0	0	0	113.4	R710	R710-D712 VanDerWaalsContact C-N 3.28Å; R710-D712 WeakPolarHBondContact CG-OD1 3.41Å; R710-D712 IonicContact CZ-OD2 2.66Å; R710-D712 VanDerWaalsContact CZ-OD2 3.27Å; R710-D712 IonicContact NE-OD1 3.38Å; R710-D712 PolarHBondContact NE-OD1 2.86Å; R710-D712 IonicContact NE-OD2 3.56Å; R710-D712 PolarHBondContact NE-OD2 2.83Å; R710-D712 IonicContact NH2-OD2 3.67Å; R710-D712 PolarHBondContact NH2-OD2 2.89Å; R710-D712 PolarHBondContact O-N 3.08Å
713	M	90.7	Very high	85.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.			trans	-83.7	132.3	179.6	-175.9	-177	-179.5	0	0	110.7	Q584 L678 I684 L703 T706 R710	Q584-M713 VanDerWaalsContact CG-O 3.23Å; Q584-M713 WeakPolarHBondContact CG-O 3.45Å; Q584-M713 PolarHBondContact NE2-O 2.87Å; L678-M713 HydrophobicContact CB-CE 4.36Å; L678-M713 HydrophobicContact CD1-CE 4.03Å; I684-M713 HydrophobicContact CB-CE 4.2Å; I684-M713 HydrophobicContact CD1-CE 3.48Å; I684-M713 VanDerWaalsContact CD1-CE 3.48Å; I684-M713 HydrophobicContact CG1-CE 3.73Å; L703-M713 HydrophobicContact CD2-CE 3.69Å; T706-M713 HydrophobicContact CG2-SD 3.93Å; R710-M713 HydrophobicContact CB-CB 4.41Å; R710-M713 HydrophobicContact CG-CB 3.99Å; R710-M713 WeakPolarHBondContact O-CB 3.19Å; R710-M713 PolarHBondContact O-N 2.81Å
714	K	92.9	Very high	84.9	Confident	30 Å²	30	41.9 Å²	41.9	13%	0.13	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143.3	175.5	-64.3	176	173.1	-69.5	0	112	V580 H581 N583 Q584 Y609 A682 I683 I684	V580-K714 HydrophobicContact CG1-CD 4.03Å; V580-K714 VanDerWaalsContact O-CD 3.27Å; V580-K714 WeakPolarHBondContact O-CD 3.44Å; V580-K714 WeakPolarHBondContact O-CE 3.17Å; V580-K714 PolarHBondContact O-NZ 2.97Å; H581-K714 PolarHBondContact O-NZ 3.28Å; N583-K714 PolarHBondContact O-NZ 2.95Å; Q584-K714 WeakPolarHBondContact O-CA 3.33Å; Y609-K714 HydrophobicContact CE1-CD 4.01Å; A682-K714 PolarHBondContact O-N 3.02Å; A682-K714 VanDerWaalsContact O-N 3.15Å; I683-K714 WeakPolarHBondContact CA-O 3.49Å; I683-K714 HydrophobicContact CG1-CB 4.23Å; I683-K714 HydrophobicContact CG2-CB 4.47Å; I684-K714 PolarHBondContact N-O 2.85Å; I684-K714 VanDerWaalsContact N-O 3.09Å
715	L	94.4	Very high	84.7	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.7	179.4	179.1	63.5	0	0	0	110.2	Q584 I585 L586 L686 L703 V707 V717 F731	Q584-L715 PolarHBondContact O-N 3.21Å; I585-L715 CarbonylContact C-O 3.6Å; I585-L715 VanDerWaalsContact CA-O 3.31Å; I585-L715 WeakPolarHBondContact CA-O 3.3Å; I585-L715 HydrophobicContact CG1-CB 4.45Å; I585-L715 HydrophobicContact CG2-CB 4.43Å; I585-L715 HydrophobicContact CG2-CD2 4.27Å; I585-L715 HydrophobicContact CG2-CG 4.41Å; L586-L715 PolarHBondContact N-O 3.11Å; L686-L715 HydrophobicContact CD1-CD1 4.02Å; L686-L715 HydrophobicContact CG-CD1 4.05Å; L703-L715 HydrophobicContact CB-CD1 4.48Å; L703-L715 HydrophobicContact CB-CD2 4.23Å; L703-L715 HydrophobicContact CD1-CD1 4.11Å; V707-L715 HydrophobicContact CG2-CB 4.01Å; V707-L715 HydrophobicContact CG2-CD2 4.33Å; L715-V717 HydrophobicContact CD2-CG2 4.42Å; L715-V717 HydrophobicContact CG-CG2 4.2Å; L715-F731 HydrophobicContact CD2-CD1 4.41Å; L715-F731 HydrophobicContact CD2-CE1 3.88Å; L715-F731 HydrophobicContact CD2-CZ 4.23Å
716	I	94.4	Very high	84.6	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129	173.7	-58.5	175.4	0	0	0	108	V580 L586 V588 I600 L604 I683 I684 M685 L686 T718	V580-I716 HydrophobicContact CG1-CD1 4.14Å; V580-I716 HydrophobicContact CG2-CD1 3.73Å; V580-I716 HydrophobicContact CG2-CG1 4.37Å; L586-I716 WeakPolarHBondContact O-CA 3.37Å; V588-I716 HydrophobicContact CG2-CG2 3.89Å; I600-I716 HydrophobicContact CG2-CD1 4.24Å; L604-I716 HydrophobicContact CD1-CD1 3.54Å; I683-I716 HydrophobicContact CG2-CD1 3.98Å; I683-I716 HydrophobicContact CG2-CG1 4.25Å; I684-I716 PolarHBondContact O-N 3.09Å; M685-I716 CarbonylContact C-O 3.59Å; M685-I716 VanDerWaalsContact CA-O 3.3Å; M685-I716 WeakPolarHBondContact CA-O 3.41Å; M685-I716 HydrophobicContact CB-CB 4.32Å; M685-I716 HydrophobicContact CG-CB 4.01Å; M685-I716 HydrophobicContact CG-CG2 3.91Å; L686-I716 PolarHBondContact N-O 2.85Å; I716-T718 HydrophobicContact CG2-CG2 4.23Å
717	V	93.1	Very high	84.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	104.7	177.2	-175.9	0	0	0	0	108.3	L586 I587 V588 A689 F700 L715 F727 F731	L586-V717 PolarHBondContact O-N 3.35Å; I587-V717 WeakPolarHBondContact CA-O 3.2Å; I587-V717 HydrophobicContact CG1-CB 4.4Å; V588-V717 PolarHBondContact N-O 3.33Å; A689-V717 HydrophobicContact CB-CG1 3.68Å; F700-V717 HydrophobicContact CE1-CG1 4.34Å; L715-V717 HydrophobicContact CD2-CG2 4.42Å; L715-V717 HydrophobicContact CG-CG2 4.2Å; V717-F727 HydrophobicContact CG1-CD1 4.08Å; V717-F727 HydrophobicContact CG1-CE1 4.42Å; V717-F731 HydrophobicContact CG2-CD2 4.38Å; V717-F731 HydrophobicContact CG2-CE2 3.87Å; V717-F731 HydrophobicContact CG2-CZ 4.31Å
718	T	89.9	Confident	84.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.1	-179.1	35.1	0	0	0	0	111.8	V588 K596 I600 M685 L686 D687 E688 A689 I716	V588-T718 HydrophobicContact CB-CG2 3.65Å; V588-T718 HydrophobicContact CG1-CG2 3.87Å; V588-T718 HydrophobicContact CG2-CG2 4.47Å; V588-T718 WeakPolarHBondContact O-CA 3.32Å; K596-T718 HydrophobicContact CB-CG2 4.39Å; K596-T718 HydrophobicContact CD-CG2 4.09Å; I600-T718 HydrophobicContact CD1-CG2 3.7Å; M685-T718 HydrophobicContact CG-CG2 4.33Å; M685-T718 HydrophobicContact SD-CG2 4.12Å; L686-T718 PolarHBondContact O-N 2.66Å; L686-T718 PolarHBondContact O-OG1 3.14Å; D687-T718 WeakPolarHBondContact CA-OG1 3.37Å; D687-T718 VanDerWaalsContact CB-OG1 3.22Å; D687-T718 WeakPolarHBondContact CB-OG1 3.24Å; D687-T718 VanDerWaalsContact CG-OG1 3.24Å; D687-T718 WeakPolarHBondContact OD1-CB 3.17Å; D687-T718 PolarHBondContact OD1-OG1 3.4Å; E688-T718 PolarHBondContact N-O 3.02Å; A689-T718 PolarHBondContact N-O 2.37Å; I716-T718 HydrophobicContact CG2-CG2 4.23Å
719	S	83.7	Confident	84.4	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.007	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	158.4	178.4	-173.6	0	0	0	0	112.1	V588 G590 T721	V588-S719 PolarHBondContact O-N 2.91Å; G590-S719 PolarHBondContact N-O 2.66Å; S719-T721 PolarHBondContact OG-N 3.23Å; S719-T721 VanDerWaalsContact OG-N 3.16Å; S719-T721 PolarHBondContact OG-OG1 3.14Å
720	A	74.7	Confident	84.5	Confident	26 Å²	26	39.3 Å²	39.3	22%	0.215	21%	0.21	C	C	.	.	S	Bend	trans	-112	7.4	172.3	0	0	0	0	0	112.4	T592	T592-A720 HydrophobicContact CG2-CB 4.14Å
721	T	68.1	Low	84.6	Confident	26 Å²	26	37.7 Å²	37.7	16%	0.16	20%	0.204	C	C	.	.	S	Bend	trans	-121.1	162.6	-176.5	64.2	0	0	0	0	112.4	H690 S719 D723	H690-T721 HydrophobicContact CB-CG2 3.78Å; H690-T721 WeakPolarHBondContact CB-OG1 3.48Å; S719-T721 PolarHBondContact OG-N 3.23Å; S719-T721 VanDerWaalsContact OG-N 3.16Å; S719-T721 PolarHBondContact OG-OG1 3.14Å; T721-D723 VanDerWaalsContact C-N 3.32Å; T721-D723 PolarHBondContact O-N 2.9Å
722	L	57.6	Low	84.8	Confident	129 Å²	129	37.8 Å²	37.8	68%	0.675	19%	0.192	S	C	*	.	S	Bend	trans	-80.1	-3.9	-174.8	-78.6	156.6	0	0	0	114.8	A724	L722-A724 PolarHBondContact O-N 3Å
723	D	68.4	Low	84.8	Confident	51 Å²	51	41.1 Å²	41.1	27%	0.273	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	21.4	-178.1	-161.3	23.9	0	0	0	113.6	T721 V725 K726 F727	T721-D723 VanDerWaalsContact C-N 3.32Å; T721-D723 PolarHBondContact O-N 2.9Å; D723-V725 PolarHBondContact O-N 3.09Å; D723-V725 VanDerWaalsContact O-N 3.14Å; D723-K726 PolarHBondContact O-N 2.73Å; D723-K726 WeakPolarHBondContact OD1-CB 3.33Å; D723-F727 VanDerWaalsContact O-CD2 3.28Å; D723-F727 WeakPolarHBondContact O-CD2 3.34Å; D723-F727 PolarHBondContact O-N 3.38Å
724	A	74.9	Confident	84.8	Confident	2 Å²	2	41.4 Å²	41.4	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-22.5	-180	0	0	0	0	0	113.5	I587 I589 L722 F727 S728 I736	I587-A724 HydrophobicContact CG2-CB 4.16Å; I589-A724 HydrophobicContact CD1-CB 3.4Å; I589-A724 VanDerWaalsContact CD1-CB 3.4Å; I589-A724 HydrophobicContact CG1-CB 3.71Å; L722-A724 PolarHBondContact O-N 3Å; A724-F727 PolarHBondContact O-N 3.28Å; A724-S728 WeakPolarHBondContact O-CB 3.41Å; A724-S728 PolarHBondContact O-N 3.13Å; A724-I736 HydrophobicContact CB-CD1 3.97Å; A724-I736 HydrophobicContact CB-CG1 4.44Å; A724-I736 HydrophobicContact CB-CG2 4.15Å
725	V	84.8	Confident	84.8	Confident	85 Å²	85	42.5 Å²	42.5	52%	0.515	22%	0.218	S	C	.	.	H	α-helix	trans	-62.1	-43.7	173	-177	0	0	0	0	110.8	D723 S728 Q729	D723-V725 PolarHBondContact O-N 3.09Å; D723-V725 VanDerWaalsContact O-N 3.14Å; V725-S728 PolarHBondContact O-N 3.37Å; V725-Q729 HydrophobicContact CG1-CG 4.49Å; V725-Q729 WeakPolarHBondContact O-CG 3.46Å; V725-Q729 PolarHBondContact O-N 3.06Å
726	K	86.3	Confident	84.7	Confident	58 Å²	58	45.7 Å²	45.7	25%	0.252	23%	0.234	S	C	.	.	H	α-helix	trans	-66.2	-41.7	177.7	-168.6	177.7	-169.3	179.9	0	111.8	D723 S728 Y730 M948 D949	D723-K726 PolarHBondContact O-N 2.73Å; D723-K726 WeakPolarHBondContact OD1-CB 3.33Å; K726-S728 VanDerWaalsContact C-N 3.34Å; K726-S728 PolarHBondContact O-N 3.25Å; K726-Y730 VanDerWaalsContact O-CB 3.3Å; K726-Y730 WeakPolarHBondContact O-CB 3.47Å; K726-Y730 PolarHBondContact O-N 3Å; K726-M948 HydrophobicContact CD-SD 4.43Å; K726-M948 HydrophobicContact CG-CG 4.5Å; K726-M948 HydrophobicContact CG-SD 4.38Å; K726-D949 IonicContact NZ-OD1 2.6Å; K726-D949 PolarHBondContact NZ-OD1 2.81Å; K726-D949 IonicContact NZ-OD2 2.67Å; K726-D949 PolarHBondContact NZ-OD2 2.8Å
727	F	87.4	Confident	84.6	Confident	3 Å²	3	47 Å²	47	1%	0.013	24%	0.24	C	C	.	.	H	α-helix	trans	-60.4	-42.9	172.5	-69.5	-80.1	0	0	0	111.5	I587 A689 F700 V717 D723 A724 Y730 F731 M948	I587-F727 VanDerWaalsContact CD1-C 3.42Å; I587-F727 HydrophobicContact CD1-CB 3.77Å; I587-F727 HydrophobicContact CG1-CB 4.36Å; I587-F727 HydrophobicContact CG2-CB 4.48Å; A689-F727 HydrophobicContact CB-CE1 4.08Å; A689-F727 HydrophobicContact CB-CZ 4.22Å; F700-F727 AromaticContact CE2-CE1 3.94Å; F700-F727 HydrophobicContact CE2-CE1 3.94Å; F700-F727 HydrophobicContact CZ-CD1 4.43Å; F700-F727 AromaticContact CZ-CE1 3.72Å; F700-F727 HydrophobicContact CZ-CE1 3.72Å; V717-F727 HydrophobicContact CG1-CD1 4.08Å; V717-F727 HydrophobicContact CG1-CE1 4.42Å; D723-F727 VanDerWaalsContact O-CD2 3.28Å; D723-F727 WeakPolarHBondContact O-CD2 3.34Å; D723-F727 PolarHBondContact O-N 3.38Å; A724-F727 PolarHBondContact O-N 3.28Å; F727-Y730 PolarHBondContact O-N 3.2Å; F727-F731 WeakPolarHBondContact O-CB 3.45Å; F727-F731 VanDerWaalsContact O-CD2 3.28Å; F727-F731 WeakPolarHBondContact O-CD2 3.35Å; F727-F731 PolarHBondContact O-N 3.41Å; F727-M948 HydrophobicContact CD1-CE 3.6Å; F727-M948 HydrophobicContact CD1-SD 4.36Å; F727-M948 HydrophobicContact CE1-CE 3.87Å; F727-M948 HydrophobicContact CE1-SD 4.25Å; F727-M948 HydrophobicContact CG-CE 4.39Å
728	S	89.6	Confident	84.4	Confident	18 Å²	18	51.1 Å²	51.1	13%	0.126	27%	0.265	C	S	.	.	H	α-helix	trans	-65	-51.3	-179.4	-178.3	0	0	0	0	111.6	A724 V725 K726 Y730 F731 Y732 E733 A734	A724-S728 WeakPolarHBondContact O-CB 3.41Å; A724-S728 PolarHBondContact O-N 3.13Å; V725-S728 PolarHBondContact O-N 3.37Å; K726-S728 VanDerWaalsContact C-N 3.34Å; K726-S728 PolarHBondContact O-N 3.25Å; S728-Y730 VanDerWaalsContact C-N 3.29Å; S728-Y730 PolarHBondContact O-N 3.5Å; S728-F731 CarbonylContact O-C 3.5Å; S728-F731 PolarHBondContact O-N 2.99Å; S728-F731 VanDerWaalsContact O-N 3.08Å; S728-Y732 PolarHBondContact O-N 2.98Å; S728-E733 VanDerWaalsContact O-CA 3.23Å; S728-E733 WeakPolarHBondContact O-CA 3.18Å; S728-E733 PolarHBondContact O-N 2.94Å; S728-E733 VanDerWaalsContact OG-C 3.29Å; S728-A734 WeakPolarHBondContact CB-O 3.45Å; S728-A734 PolarHBondContact O-N 3.49Å; S728-A734 PolarHBondContact OG-N 3.21Å; S728-A734 PolarHBondContact OG-O 3.36Å
729	Q	90.4	Very high	84.2	Confident	133 Å²	133	51.3 Å²	51.3	62%	0.621	27%	0.266	S	S	*	.	H	α-helix	trans	-56.1	-42.6	175.2	-72.1	173.7	-14.6	0	0	112.2	V725 F731	V725-Q729 HydrophobicContact CG1-CG 4.49Å; V725-Q729 WeakPolarHBondContact O-CG 3.46Å; V725-Q729 PolarHBondContact O-N 3.06Å; Q729-F731 PolarHBondContact O-N 2.85Å
730	Y	90.4	Very high	84	Confident	21 Å²	21	55.3 Å²	55.3	8%	0.082	29%	0.292	C	S	.	.	H	α-helix	trans	-66.4	-34.7	177.5	178.5	-93.3	0	0	0	113.1	F700 G701 K704 K726 F727 S728 D946 M948	F700-Y730 HydrophobicContact CB-CE1 3.82Å; G701-Y730 VanDerWaalsContact CA-OH 3.22Å; G701-Y730 WeakPolarHBondContact CA-OH 3.4Å; G701-Y730 PolarHBondContact N-OH 3.31Å; K704-Y730 HydrophobicContact CD-CD1 4.27Å; K704-Y730 HydrophobicContact CD-CE1 3.61Å; K704-Y730 HydrophobicContact CD-CE2 4.27Å; K704-Y730 WeakPolarHBondContact CE-O 3.35Å; K704-Y730 PolarHBondContact NZ-O 3.41Å; K726-Y730 VanDerWaalsContact O-CB 3.3Å; K726-Y730 WeakPolarHBondContact O-CB 3.47Å; K726-Y730 PolarHBondContact O-N 3Å; F727-Y730 PolarHBondContact O-N 3.2Å; S728-Y730 VanDerWaalsContact C-N 3.29Å; S728-Y730 PolarHBondContact O-N 3.5Å; Y730-D946 VanDerWaalsContact CE2-OD1 3.22Å; Y730-D946 WeakPolarHBondContact CE2-OD1 3.42Å; Y730-D946 PolarHBondContact OH-O 3.01Å; Y730-M948 HydrophobicContact CD1-CE 3.64Å; Y730-M948 HydrophobicContact CD2-CB 3.75Å; Y730-M948 HydrophobicContact CD2-CE 4.41Å; Y730-M948 HydrophobicContact CD2-CG 4.03Å; Y730-M948 HydrophobicContact CE1-CE 4.31Å; Y730-M948 HydrophobicContact CE2-CB 3.86Å; Y730-M948 HydrophobicContact CG-CB 4.18Å; Y730-M948 HydrophobicContact CG-CE 3.69Å; Y730-M948 HydrophobicContact CG-CG 4.16Å
731	F	90.9	Very high	83.7	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.009	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	45	179.2	-71.4	-64.3	0	0	0	113.3	I585 F700 K704 L715 V717 F727 S728 Q729 E733 A734	I585-F731 HydrophobicContact CD1-CB 4.03Å; I585-F731 HydrophobicContact CD1-CD1 3.93Å; I585-F731 HydrophobicContact CD1-CG 4.34Å; I585-F731 HydrophobicContact CG2-CB 4.12Å; I585-F731 HydrophobicContact CG2-CG 4.24Å; F700-F731 HydrophobicContact CB-CZ 3.95Å; F700-F731 HydrophobicContact CD1-CE2 4.14Å; F700-F731 AromaticContact CD1-CZ 3.72Å; F700-F731 HydrophobicContact CD1-CZ 3.72Å; F700-F731 HydrophobicContact CG-CE2 4.49Å; F700-F731 HydrophobicContact CG-CZ 4.02Å; K704-F731 HydrophobicContact CB-CD1 4.45Å; K704-F731 HydrophobicContact CB-CE1 4.12Å; K704-F731 HydrophobicContact CD-CD1 4.49Å; K704-F731 HydrophobicContact CG-CD1 4.46Å; L715-F731 HydrophobicContact CD2-CD1 4.41Å; L715-F731 HydrophobicContact CD2-CE1 3.88Å; L715-F731 HydrophobicContact CD2-CZ 4.23Å; V717-F731 HydrophobicContact CG2-CD2 4.38Å; V717-F731 HydrophobicContact CG2-CE2 3.87Å; V717-F731 HydrophobicContact CG2-CZ 4.31Å; F727-F731 WeakPolarHBondContact O-CB 3.45Å; F727-F731 VanDerWaalsContact O-CD2 3.28Å; F727-F731 WeakPolarHBondContact O-CD2 3.35Å; F727-F731 PolarHBondContact O-N 3.41Å; S728-F731 CarbonylContact O-C 3.5Å; S728-F731 PolarHBondContact O-N 2.99Å; S728-F731 VanDerWaalsContact O-N 3.08Å; Q729-F731 PolarHBondContact O-N 2.85Å; F731-E733 PolarHBondContact O-N 3.02Å; F731-A734 HydrophobicContact CB-CB 3.92Å; F731-A734 VanDerWaalsContact O-CB 3.25Å; F731-A734 WeakPolarHBondContact O-CB 3.19Å; F731-A734 PolarHBondContact O-N 3.31Å
732	Y	89	Confident	83.7	Confident	118 Å²	118	61.5 Å²	61.5	46%	0.463	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	42.5	173.6	-45.9	-69.3	0	0	0	114.4	I585 K704 Q708 S728 A734	I585-Y732 HydrophobicContact CD1-CD2 4.44Å; K704-Y732 HydrophobicContact CD-CE2 4.4Å; K704-Y732 VanDerWaalsContact CE-CZ 3.46Å; K704-Y732 VanDerWaalsContact CE-OH 3.26Å; K704-Y732 WeakPolarHBondContact CE-OH 3.39Å; K704-Y732 HydrophobicContact CG-CE2 3.76Å; K704-Y732 WeakPolarHBondContact CG-OH 3.33Å; Q708-Y732 VanDerWaalsContact CD-OH 3.3Å; Q708-Y732 HydrophobicContact CG-CE2 4.32Å; Q708-Y732 PolarHBondContact NE2-OH 2.86Å; Q708-Y732 VanDerWaalsContact NE2-OH 3.08Å; S728-Y732 PolarHBondContact O-N 2.98Å; Y732-A734 VanDerWaalsContact C-N 3.26Å; Y732-A734 PolarHBondContact O-N 3.44Å
733	E	90	Very high	84.2	Confident	158 Å²	158	58.7 Å²	58.7	74%	0.738	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	32.8	-176.3	-53.7	-170.2	148.5	0	0	113.3	S728 F731	S728-E733 VanDerWaalsContact O-CA 3.23Å; S728-E733 WeakPolarHBondContact O-CA 3.18Å; S728-E733 PolarHBondContact O-N 2.94Å; S728-E733 VanDerWaalsContact OG-C 3.29Å; F731-E733 PolarHBondContact O-N 3.02Å
734	A	89.9	Confident	84.9	Confident	6 Å²	6	62 Å²	62	5%	0.05	32%	0.315	C	S	.	.			trans	-51.7	138.2	179.6	0	0	0	0	0	112.6	I585 I587 S728 F731 Y732	I585-A734 HydrophobicContact CB-CB 4.02Å; I585-A734 HydrophobicContact CG2-CB 3.92Å; I587-A734 HydrophobicContact CD1-CB 3.98Å; I587-A734 HydrophobicContact CG1-CB 4.39Å; S728-A734 WeakPolarHBondContact CB-O 3.45Å; S728-A734 PolarHBondContact O-N 3.49Å; S728-A734 PolarHBondContact OG-N 3.21Å; S728-A734 PolarHBondContact OG-O 3.36Å; F731-A734 HydrophobicContact CB-CB 3.92Å; F731-A734 VanDerWaalsContact O-CB 3.25Å; F731-A734 WeakPolarHBondContact O-CB 3.19Å; F731-A734 PolarHBondContact O-N 3.31Å; Y732-A734 VanDerWaalsContact C-N 3.26Å; Y732-A734 PolarHBondContact O-N 3.44Å
735	P	93.5	Very high	85.5	Confident	53 Å²	53	66.9 Å²	66.9	34%	0.344	35%	0.347	S	S	.	.			trans	-66.8	146.5	-174	24.1	-32.3	0	0	0	112.9	N583 L586 I587	N583-P735 HydrophobicContact CB-CG 4.17Å; N583-P735 WeakPolarHBondContact OD1-CG 3.49Å; L586-P735 HydrophobicContact CD1-CB 4.46Å; L586-P735 HydrophobicContact CD1-CG 4.03Å; I587-P735 PolarHBondContact N-O 2.9Å
736	I	92.1	Very high	85.7	Confident	69 Å²	69	64.7 Å²	64.7	35%	0.354	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	110.1	-175.6	-59.3	175.6	0	0	0	109.4	I587 I589 A724	I587-I736 HydrophobicContact CB-CG1 4.46Å; I587-I736 CarbonylContact O-C 3.58Å; I587-I736 WeakPolarHBondContact O-CA 3.36Å; I589-I736 HydrophobicContact CD1-CG2 3.48Å; I589-I736 VanDerWaalsContact CD1-CG2 3.48Å; I589-I736 HydrophobicContact CG1-CG2 3.76Å; A724-I736 HydrophobicContact CB-CD1 3.97Å; A724-I736 HydrophobicContact CB-CG1 4.44Å; A724-I736 HydrophobicContact CB-CG2 4.15Å
737	F	91.1	Very high	86.1	Confident	28 Å²	28	66.9 Å²	66.9	12%	0.123	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	114.1	174.4	-170.1	-92.6	0	0	0	109.8	L572 Q575 L576 A579 L586 I587 V588 I589 I739	L572-F737 HydrophobicContact CB-CE1 4.43Å; L572-F737 HydrophobicContact CB-CZ 4.08Å; L572-F737 HydrophobicContact CD1-CE1 4.36Å; L572-F737 HydrophobicContact CD1-CZ 4.37Å; Q575-F737 HydrophobicContact CB-CE2 4.13Å; Q575-F737 HydrophobicContact CB-CZ 4.25Å; L576-F737 HydrophobicContact CB-CE1 4.06Å; L576-F737 HydrophobicContact CB-CZ 3.86Å; L576-F737 HydrophobicContact CD1-CD1 4Å; L576-F737 HydrophobicContact CD1-CE1 3.9Å; L576-F737 HydrophobicContact CD1-CZ 4.36Å; A579-F737 HydrophobicContact CB-CD2 4Å; A579-F737 HydrophobicContact CB-CE2 4.27Å; L586-F737 HydrophobicContact CD1-CB 4.17Å; L586-F737 HydrophobicContact CD2-CB 4.37Å; L586-F737 HydrophobicContact CG-CB 4.36Å; I587-F737 PolarHBondContact O-N 2.97Å; V588-F737 CarbonylContact C-O 3.32Å; V588-F737 WeakPolarHBondContact CA-O 3.19Å; V588-F737 HydrophobicContact CG1-CD1 4.44Å; V588-F737 HydrophobicContact CG2-CB 4.31Å; I589-F737 PolarHBondContact N-O 3.45Å; F737-I739 HydrophobicContact CD1-CG1 4.02Å; F737-I739 HydrophobicContact CE1-CG1 3.86Å
738	T	89.7	Confident	86.4	Confident	87 Å²	87	69.4 Å²	69.4	53%	0.534	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114	-177.8	-57.7	0	0	0	0	111.2	I589	I589-T738 HydrophobicContact CB-CG2 4.46Å
739	I	86.5	Confident	86.7	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.021	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	117.5	171.3	-59.7	164.1	0	0	0	108.2	I569 V588 I589 K596 F737 G741	I569-I739 HydrophobicContact CB-CG2 4.46Å; I569-I739 HydrophobicContact CD1-CD1 3.68Å; I569-I739 HydrophobicContact CG1-CD1 3.88Å; V588-I739 HydrophobicContact CG1-CD1 3.62Å; V588-I739 HydrophobicContact CG1-CG1 4.31Å; I589-I739 PolarHBondContact O-N 3.39Å; K596-I739 HydrophobicContact CG-CD1 4.26Å; F737-I739 HydrophobicContact CD1-CG1 4.02Å; F737-I739 HydrophobicContact CE1-CG1 3.86Å; I739-G741 PolarHBondContact O-N 3.4Å
740	P	79.7	Confident	86.9	Confident	84 Å²	84	68.3 Å²	68.3	55%	0.545	35%	0.352	S	S	.	.			trans	-65.7	133.8	175.8	29.1	-33.1	0	0	0	109.4	L572	L572-P740 VanDerWaalsContact CD1-CD 3.49Å; L572-P740 HydrophobicContact CD1-CG 4.38Å
741	G	67.8	Low	87	Confident	34 Å²	34	68.7 Å²	68.7	35%	0.351	36%	0.357	S	S	.	.			trans	-83.6	-164.4	-173.6	0	0	0	0	0	114.6	E591 I739	E591-G741 VanDerWaalsContact OE2-CA 3.22Å; E591-G741 WeakPolarHBondContact OE2-CA 3.4Å; I739-G741 PolarHBondContact O-N 3.4Å
742	R	67.7	Low	86.9	Confident	149 Å²	149	78 Å²	78	56%	0.562	40%	0.397	S	S	*	.			trans	-132.5	13.9	178.5	-105.8	-172	-173.9	152.6	9.4	112.4	S566 P568 E591 Y744	S566-R742 PolarHBondContact O-NH1 3.08Å; S566-R742 PolarHBondContact O-NH2 2.94Å; P568-R742 HydrophobicContact CG-CB 4.33Å; P568-R742 HydrophobicContact CG-CG 3.94Å; E591-R742 PolarHBondContact OE2-N 2.71Å; R742-Y744 PolarHBondContact O-N 3.21Å
743	T	68.9	Low	86.8	Confident	70 Å²	70	79.4 Å²	79.4	43%	0.429	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-61.2	127.8	173.1	50.9	0	0	0	0	111.2	E591 G894	E591-T743 PolarHBondContact OE1-OG1 2.77Å; E591-T743 VanDerWaalsContact OE1-OG1 3.11Å; E591-T743 VanDerWaalsContact OE2-CG2 3.23Å; E591-T743 WeakPolarHBondContact OE2-CG2 3.38Å; E591-T743 PolarHBondContact OE2-N 3.44Å; E591-T743 VanDerWaalsContact OE2-N 3.17Å; E591-T743 PolarHBondContact OE2-OG1 3.29Å; T743-G894 CarbonylContact C-O 3.51Å; T743-G894 VanDerWaalsContact CA-O 3.28Å; T743-G894 WeakPolarHBondContact CA-O 3.18Å
744	Y	82.8	Confident	86.5	Confident	119 Å²	119	75.4 Å²	75.4	47%	0.467	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-71.6	154.7	160.4	-64.9	-92.3	0	0	0	109.6	R742 G894 G897	R742-Y744 PolarHBondContact O-N 3.21Å; Y744-G894 PolarHBondContact N-O 3.33Å; Y744-G897 WeakPolarHBondContact CB-O 3.34Å; Y744-G897 VanDerWaalsContact CD2-CA 3.49Å; Y744-G897 VanDerWaalsContact CG-C 3.5Å
745	P	86.7	Confident	86.2	Confident	105 Å²	105	79 Å²	79	68%	0.682	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-59.4	140.9	177.5	25	-34.5	0	0	0	111.3	P898 G899	P745-P898 HydrophobicContact CG-CB 4.41Å; P745-P898 WeakPolarHBondContact O-CA 3.49Å; P745-G899 PolarHBondContact O-N 3.32Å
746	V	89.8	Confident	85.5	Confident	39 Å²	39	80.4 Å²	80.4	24%	0.236	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.7	176.9	-179.6	0	0	0	0	108.6	A893 G894 G899 T901	V746-A893 HydrophobicContact CG1-CB 3.98Å; V746-A893 HydrophobicContact CG2-CB 4.08Å; V746-G894 VanDerWaalsContact CG2-CA 3.4Å; V746-G894 VanDerWaalsContact CG2-N 3.28Å; V746-G899 CarbonylContact C-O 3.53Å; V746-G899 VanDerWaalsContact CA-O 3.31Å; V746-G899 WeakPolarHBondContact CA-O 3.19Å; V746-T901 VanDerWaalsContact CG1-OG1 3.24Å; V746-T901 WeakPolarHBondContact CG1-OG1 3.43Å
747	E	94.1	Very high	85.3	Confident	105 Å²	105	78.3 Å²	78.3	49%	0.491	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	133.5	170.9	-172.8	177.9	-165.9	0	0	109.3	L749 G899 K900 T901	E747-L749 HydrophobicContact CG-CG 4.42Å; E747-G899 PolarHBondContact N-O 3.3Å; E747-K900 HydrophobicContact CB-CG 4.23Å; E747-K900 CarbonylContact O-C 3.57Å; E747-K900 WeakPolarHBondContact O-CA 3.36Å; E747-K900 WeakPolarHBondContact OE2-CE 3.47Å; E747-T901 PolarHBondContact O-N 3.25Å
748	V	94.6	Very high	85.1	Confident	55 Å²	55	77.1 Å²	77.1	33%	0.333	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114	-178	-178.1	0	0	0	0	109.3	Y750 R903	V748-Y750 HydrophobicContact CG1-CE2 3.91Å; V748-R903 HydrophobicContact CG1-CG 4.34Å
749	L	94.6	Very high	85.2	Confident	60 Å²	60	73.3 Å²	73.3	31%	0.314	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.3	-178.6	-62.8	159.4	0	0	0	108.5	E747 T901 Y902 R903	E747-L749 HydrophobicContact CG-CG 4.42Å; L749-T901 PolarHBondContact N-O 3.31Å; L749-Y902 HydrophobicContact CB-CD1 4.35Å; L749-Y902 HydrophobicContact CD1-CD1 3.73Å; L749-Y902 HydrophobicContact CD1-CE1 3.41Å; L749-Y902 VanDerWaalsContact CD1-CE1 3.41Å; L749-Y902 HydrophobicContact CD1-CE2 4.45Å; L749-Y902 HydrophobicContact CD1-CG 4.38Å; L749-R903 WeakPolarHBondContact O-CB 3.29Å; L749-R903 PolarHBondContact O-N 2.67Å
750	Y	94.4	Very high	85.3	Confident	69 Å²	69	75.1 Å²	75.1	27%	0.271	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	149.9	177.3	-60.6	-92.6	0	0	0	109.7	V748 R903 Y905 E907 Y910	V748-Y750 HydrophobicContact CG1-CE2 3.91Å; Y750-R903 WeakPolarHBondContact CA-O 3.46Å; Y750-R903 HydrophobicContact CD1-CB 3.97Å; Y750-R903 HydrophobicContact CE1-CB 4.47Å; Y750-R903 VanDerWaalsContact CE1-CD 3.44Å; Y750-R903 PolarHBondContact OH-NH1 3.13Å; Y750-Y905 HydrophobicContact CD1-CD2 4.46Å; Y750-Y905 WeakPolarHBondContact CD1-O 3.39Å; Y750-Y905 HydrophobicContact CE1-CE2 4.38Å; Y750-E907 HydrophobicContact CD1-CB 4.12Å; Y750-E907 HydrophobicContact CD2-CB 4.01Å; Y750-E907 HydrophobicContact CD2-CG 4.39Å; Y750-E907 HydrophobicContact CE1-CB 4.26Å; Y750-E907 HydrophobicContact CE1-CG 4.34Å; Y750-E907 HydrophobicContact CE2-CB 4.15Å; Y750-E907 HydrophobicContact CE2-CG 4.03Å; Y750-E907 HydrophobicContact CG-CB 3.99Å; Y750-Y910 HydrophobicContact CE1-CD1 4.34Å; Y750-Y910 HydrophobicContact CE1-CG 4.07Å
751	T	92.7	Very high	85.9	Confident	28 Å²	28	71.7 Å²	71.7	17%	0.172	37%	0.368	C	S	.	.			trans	-67.7	151.4	166.7	56.5	0	0	0	0	110.7	E753 E755 R903 L904 Y905 T906	T751-E753 VanDerWaalsContact CB-O 3.28Å; T751-E753 WeakPolarHBondContact CB-O 3.48Å; T751-E753 PolarHBondContact OG1-O 2.87Å; T751-E755 HydrophobicContact CG2-CG 4.15Å; T751-R903 PolarHBondContact N-O 3.45Å; T751-R903 VanDerWaalsContact N-O 3.09Å; T751-L904 HydrophobicContact CG2-CB 4.48Å; T751-L904 HydrophobicContact CG2-CD2 4.31Å; T751-Y905 PolarHBondContact OG1-N 3.15Å; T751-T906 WeakPolarHBondContact O-CA 3.36Å
752	K	89.5	Confident	87.1	Confident	199 Å²	199	70.1 Å²	70.1	87%	0.865	35%	0.352	S	S	*	.	S	Bend	trans	-74.6	-34.7	175.7	-66.4	-178.3	-180	177.7	0	111.9	T906	K752-T906 WeakPolarHBondContact O-CG2 3.46Å
753	E	87.6	Confident	88.3	Confident	147 Å²	147	63.2 Å²	63.2	69%	0.687	33%	0.326	S	S	*	.	S	Bend	trans	-125.1	157.3	-176.4	-71.4	170.5	-149.9	0	0	109.5	T751	T751-E753 VanDerWaalsContact CB-O 3.28Å; T751-E753 WeakPolarHBondContact CB-O 3.48Å; T751-E753 PolarHBondContact OG1-O 2.87Å
754	P	83.9	Confident	89.4	Confident	73 Å²	73	64.2 Å²	64.2	47%	0.474	33%	0.328	S	S	.	.			trans	-78.3	121.2	179	30.6	-32.6	0	0	0	111.3
755	E	83.1	Confident	89.9	Confident	82 Å²	82	59.5 Å²	59.5	38%	0.383	31%	0.311	S	S	.	.			trans	-74.4	123.6	177.8	-60.9	-63.3	163.9	0	0	111	T751 A761	T751-E755 HydrophobicContact CG2-CG 4.15Å; E755-A761 HydrophobicContact CB-CB 4.11Å; E755-A761 HydrophobicContact CG-CB 3.92Å
756	T	78.8	Confident	90.3	Very high	82 Å²	82	54.5 Å²	54.5	50%	0.503	28%	0.279	S	S	.	.	S	Bend	trans	-75.7	-39.8	179.4	50.4	0	0	0	0	112.4	M480	M480-T756 HydrophobicContact SD-CG2 4.22Å
757	D	86.6	Confident	90.4	Very high	26 Å²	26	53.6 Å²	53.6	14%	0.139	27%	0.272	C	S	.	.			trans	-105	82.1	169.7	-173.8	0.6	0	0	0	111.3	Q481 L484 R488 L759 D760 A761	Q481-D757 PolarHBondContact NE2-OD1 3.04Å; L484-D757 HydrophobicContact CD1-CB 4.36Å; R488-D757 IonicContact CZ-OD2 3.38Å; R488-D757 IonicContact NH1-OD1 2.76Å; R488-D757 PolarHBondContact NH1-OD1 3.06Å; R488-D757 IonicContact NH1-OD2 3.55Å; R488-D757 PolarHBondContact NH1-OD2 3.16Å; R488-D757 IonicContact NH2-OD2 2.95Å; R488-D757 PolarHBondContact NH2-OD2 3.16Å; D757-L759 PolarHBondContact O-N 3.23Å; D757-L759 VanDerWaalsContact O-N 3.09Å; D757-L759 VanDerWaalsContact OD1-CB 3.3Å; D757-L759 WeakPolarHBondContact OD1-CB 3.48Å; D757-L759 PolarHBondContact OD1-N 3.42Å; D757-D760 PolarHBondContact O-N 2.98Å; D757-D760 PolarHBondContact OD1-N 3.12Å; D757-A761 WeakPolarHBondContact O-CB 3.47Å; D757-A761 PolarHBondContact O-N 2.92Å; D757-A761 VanDerWaalsContact O-N 3.13Å
758	Y	88.9	Confident	90.2	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-59.4	-19.6	176.1	71.9	-104.7	0	0	0	114	Q481 S762 T783 E787 P859 F861	Q481-Y758 HydrophobicContact CB-CD1 4.29Å; Q481-Y758 HydrophobicContact CB-CE1 3.62Å; Q481-Y758 HydrophobicContact CG-CD1 4.35Å; Q481-Y758 HydrophobicContact CG-CE1 3.59Å; Y758-S762 VanDerWaalsContact O-CB 3.31Å; Y758-S762 WeakPolarHBondContact O-CB 3.09Å; Y758-S762 PolarHBondContact O-N 2.99Å; Y758-S762 PolarHBondContact O-OG 3.12Å; Y758-T783 HydrophobicContact CE2-CG2 4.43Å; Y758-T783 WeakPolarHBondContact OH-CG2 3.2Å; Y758-E787 PolarHBondContact OH-OE2 3.26Å; Y758-P859 HydrophobicContact CD2-CB 3.57Å; Y758-P859 HydrophobicContact CD2-CG 3.96Å; Y758-P859 HydrophobicContact CE2-CB 4.46Å; Y758-P859 HydrophobicContact CE2-CG 4.45Å; Y758-P859 HydrophobicContact CG-CB 3.91Å; Y758-F861 AromaticContact CD1-CD2 3.49Å; Y758-F861 HydrophobicContact CD1-CD2 3.49Å; Y758-F861 VanDerWaalsContact CD1-CD2 3.49Å; Y758-F861 AromaticContact CD1-CE2 3.41Å; Y758-F861 HydrophobicContact CD1-CE2 3.41Å; Y758-F861 VanDerWaalsContact CD1-CE2 3.41Å; Y758-F861 HydrophobicContact CD1-CZ 4.38Å; Y758-F861 HydrophobicContact CD2-CD2 4.19Å; Y758-F861 AromaticContact CE1-CD2 3.58Å; Y758-F861 HydrophobicContact CE1-CD2 3.58Å; Y758-F861 AromaticContact CE1-CE2 3.84Å; Y758-F861 HydrophobicContact CE1-CE2 3.84Å; Y758-F861 HydrophobicContact CE1-CG 4.21Å; Y758-F861 HydrophobicContact CE2-CD2 4.3Å; Y758-F861 AromaticContact CG-CD2 3.81Å; Y758-F861 HydrophobicContact CG-CD2 3.81Å; Y758-F861 AromaticContact CG-CE2 3.9Å; Y758-F861 HydrophobicContact CG-CE2 3.9Å; Y758-F861 AromaticContact CZ-CD2 4Å
759	L	89.9	Confident	90.1	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.037	26%	0.26	C	S	.	.	H	α-helix	trans	-75.5	-48.9	-178.8	-176.9	65.3	0	0	0	110.2	D757 S762 L763 L782 E787 A791	D757-L759 PolarHBondContact O-N 3.23Å; D757-L759 VanDerWaalsContact O-N 3.09Å; D757-L759 VanDerWaalsContact OD1-CB 3.3Å; D757-L759 WeakPolarHBondContact OD1-CB 3.48Å; D757-L759 PolarHBondContact OD1-N 3.42Å; L759-S762 WeakPolarHBondContact O-CB 3.44Å; L759-S762 PolarHBondContact O-N 3.41Å; L759-L763 WeakPolarHBondContact O-CG 2.92Å; L759-L763 PolarHBondContact O-N 3.42Å; L759-L782 HydrophobicContact CD1-CD1 3.6Å; L759-L782 HydrophobicContact CD1-CD2 3.65Å; L759-L782 HydrophobicContact CD1-CG 4.29Å; L759-E787 HydrophobicContact CD1-CB 4.23Å; L759-A791 HydrophobicContact CD1-CB 4.2Å
760	D	89.8	Confident	89.9	Confident	43 Å²	43	49.2 Å²	49.2	23%	0.23	25%	0.247	C	C	.	.	H	α-helix	trans	-70.6	-40.4	177	-162.3	23	0	0	0	111.7	D757 S762 L763 I764 R798	D757-D760 PolarHBondContact O-N 2.98Å; D757-D760 PolarHBondContact OD1-N 3.12Å; D760-S762 PolarHBondContact O-N 3.32Å; D760-L763 PolarHBondContact O-N 3.12Å; D760-I764 WeakPolarHBondContact O-CG1 3.37Å; D760-I764 PolarHBondContact O-N 3.08Å; D760-R798 IonicContact OD1-CZ 3.94Å; D760-R798 IonicContact OD1-NH1 2.81Å; D760-R798 PolarHBondContact OD1-NH1 3.12Å; D760-R798 IonicContact OD1-NH2 3.98Å; D760-R798 PolarHBondContact OD1-NH2 3.42Å; D760-R798 IonicContact OD2-NH2 2.65Å; D760-R798 PolarHBondContact OD2-NH2 2.93Å
761	A	91.1	Very high	89.6	Confident	12 Å²	12	50.3 Å²	50.3	10%	0.099	26%	0.257	C	S	.	.	H	α-helix	trans	-57.1	-36.7	173	0	0	0	0	0	112.3	E755 D757 T765 L904	E755-A761 HydrophobicContact CB-CB 4.11Å; E755-A761 HydrophobicContact CG-CB 3.92Å; D757-A761 WeakPolarHBondContact O-CB 3.47Å; D757-A761 PolarHBondContact O-N 2.92Å; D757-A761 VanDerWaalsContact O-N 3.13Å; A761-T765 WeakPolarHBondContact O-CB 3.37Å; A761-T765 PolarHBondContact O-N 3.03Å; A761-T765 PolarHBondContact O-OG1 2.88Å; A761-L904 HydrophobicContact CB-CD1 4.07Å
762	S	93.7	Very high	89.5	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.007	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-45.1	172.5	-64.5	0	0	0	0	112.1	Y758 L759 D760 T765 V766 L904	Y758-S762 VanDerWaalsContact O-CB 3.31Å; Y758-S762 WeakPolarHBondContact O-CB 3.09Å; Y758-S762 PolarHBondContact O-N 2.99Å; Y758-S762 PolarHBondContact O-OG 3.12Å; L759-S762 WeakPolarHBondContact O-CB 3.44Å; L759-S762 PolarHBondContact O-N 3.41Å; D760-S762 PolarHBondContact O-N 3.32Å; S762-T765 PolarHBondContact O-N 3.04Å; S762-V766 VanDerWaalsContact O-CG2 3.27Å; S762-V766 WeakPolarHBondContact O-CG2 3.02Å; S762-V766 PolarHBondContact O-N 3.46Å; S762-L904 WeakPolarHBondContact OG-CD1 3.45Å
763	L	92.6	Very high	89.5	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-67.2	-42	179.6	-67.3	-179.3	0	0	0	112.2	L759 D760 T765 V766 M767 A791 I794 L795	L759-L763 WeakPolarHBondContact O-CG 2.92Å; L759-L763 PolarHBondContact O-N 3.42Å; D760-L763 PolarHBondContact O-N 3.12Å; L763-T765 VanDerWaalsContact C-N 3.33Å; L763-T765 PolarHBondContact O-N 3.11Å; L763-V766 PolarHBondContact O-N 2.93Å; L763-M767 VanDerWaalsContact O-CG 3.31Å; L763-M767 WeakPolarHBondContact O-CG 3.3Å; L763-M767 PolarHBondContact O-N 2.98Å; L763-A791 HydrophobicContact CD2-CB 4.05Å; L763-I794 HydrophobicContact CD1-CB 3.84Å; L763-I794 HydrophobicContact CD1-CD1 4.41Å; L763-I794 HydrophobicContact CD1-CG2 3.67Å; L763-L795 HydrophobicContact CD2-CB 4.03Å; L763-L795 HydrophobicContact CD2-CD1 4.32Å; L763-L795 HydrophobicContact CD2-CD2 4.47Å
764	I	92.4	Very high	89.6	Confident	91 Å²	91	42.6 Å²	42.6	47%	0.467	24%	0.235	S	C	.	.	H	α-helix	trans	-60.8	-44.9	175.3	-66.2	165.1	0	0	0	110.1	D760 V766 M767 Q768	D760-I764 WeakPolarHBondContact O-CG1 3.37Å; D760-I764 PolarHBondContact O-N 3.08Å; I764-V766 PolarHBondContact O-N 2.98Å; I764-M767 PolarHBondContact O-N 3.23Å; I764-Q768 PolarHBondContact O-N 3.25Å
765	T	93.4	Very high	89.7	Confident	19 Å²	19	45 Å²	45	12%	0.117	25%	0.25	C	S	.	.	H	α-helix	trans	-61.2	-42.5	176.9	-57.3	0	0	0	0	111.9	A761 S762 L763 M767 Q768 I769 V857 Y902	A761-T765 WeakPolarHBondContact O-CB 3.37Å; A761-T765 PolarHBondContact O-N 3.03Å; A761-T765 PolarHBondContact O-OG1 2.88Å; S762-T765 PolarHBondContact O-N 3.04Å; L763-T765 VanDerWaalsContact C-N 3.33Å; L763-T765 PolarHBondContact O-N 3.11Å; T765-M767 PolarHBondContact O-N 2.89Å; T765-Q768 PolarHBondContact O-N 3.32Å; T765-I769 HydrophobicContact CG2-CD1 3.87Å; T765-I769 WeakPolarHBondContact O-CD1 3.39Å; T765-I769 VanDerWaalsContact O-CG1 3.24Å; T765-I769 WeakPolarHBondContact O-CG1 3.46Å; T765-I769 PolarHBondContact O-N 3.11Å; T765-V857 HydrophobicContact CG2-CG1 4.24Å; T765-V857 HydrophobicContact CG2-CG2 3.87Å; T765-Y902 HydrophobicContact CG2-CD1 4.1Å; T765-Y902 HydrophobicContact CG2-CG 3.94Å
766	V	94.6	Very high	90	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-43.7	174.7	169.5	0	0	0	0	111.7	S762 L763 I764 I769 H770 V778 V780 L795 V837 V857	S762-V766 VanDerWaalsContact O-CG2 3.27Å; S762-V766 WeakPolarHBondContact O-CG2 3.02Å; S762-V766 PolarHBondContact O-N 3.46Å; L763-V766 PolarHBondContact O-N 2.93Å; I764-V766 PolarHBondContact O-N 2.98Å; V766-I769 PolarHBondContact O-N 3.36Å; V766-H770 WeakPolarHBondContact O-CB 2.97Å; V766-H770 PolarHBondContact O-N 2.73Å; V766-V778 HydrophobicContact CG2-CG1 4.32Å; V766-V780 HydrophobicContact CG2-CG2 3.38Å; V766-L795 HydrophobicContact CG1-CD1 4.09Å; V766-L795 HydrophobicContact CG1-CD2 4.16Å; V766-V837 HydrophobicContact CG1-CG1 4.07Å; V766-V837 HydrophobicContact CG1-CG2 3.9Å; V766-V857 HydrophobicContact CG2-CG2 4.18Å
767	M	91.2	Very high	90.6	Very high	20 Å²	20	38.4 Å²	38.4	10%	0.099	22%	0.218	C	C	.	.	H	α-helix	trans	-66.3	-41.2	178.9	-67	-59.8	-69.7	0	0	111.8	L763 I764 T765 H770 L771 L795 R798 M799 L802 L809	L763-M767 VanDerWaalsContact O-CG 3.31Å; L763-M767 WeakPolarHBondContact O-CG 3.3Å; L763-M767 PolarHBondContact O-N 2.98Å; I764-M767 PolarHBondContact O-N 3.23Å; T765-M767 PolarHBondContact O-N 2.89Å; M767-H770 PolarHBondContact O-N 3.24Å; M767-L771 WeakPolarHBondContact O-CG 3.47Å; M767-L771 PolarHBondContact O-N 3.19Å; M767-L771 VanDerWaalsContact O-N 3.08Å; M767-L795 HydrophobicContact CG-CD1 3.94Å; M767-L795 HydrophobicContact SD-CD1 3.4Å; M767-L795 WeakPolarHBondContact SD-CD1 3.31Å; M767-R798 HydrophobicContact CE-CB 4.37Å; M767-M799 HydrophobicContact CE-CG 4.36Å; M767-M799 HydrophobicContact CE-SD 3.66Å; M767-M799 HydrophobicContact SD-CG 4.34Å; M767-M799 HydrophobicContact SD-SD 3.95Å; M767-L802 HydrophobicContact CE-CD1 3.12Å; M767-L809 HydrophobicContact SD-CD2 4.41Å
768	Q	91.3	Very high	91	Very high	116 Å²	116	37.2 Å²	37.2	54%	0.542	21%	0.212	S	C	.	.	H	α-helix	trans	-60.4	-50.7	173.7	-175.6	178.1	-5.8	0	0	111.2	I764 T765 H770 L771 T772	I764-Q768 PolarHBondContact O-N 3.25Å; T765-Q768 PolarHBondContact O-N 3.32Å; Q768-H770 VanDerWaalsContact C-N 3.27Å; Q768-H770 PolarHBondContact O-N 2.67Å; Q768-L771 PolarHBondContact O-N 3.18Å; Q768-T772 PolarHBondContact O-N 2.98Å; Q768-T772 PolarHBondContact O-OG1 2.92Å
769	I	92.4	Very high	91.2	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-55.7	-43.8	175.6	-68.9	162.2	0	0	0	110.7	T765 V766 L771 E773 V778 R835 Y855 V857 Y902	T765-I769 HydrophobicContact CG2-CD1 3.87Å; T765-I769 WeakPolarHBondContact O-CD1 3.39Å; T765-I769 VanDerWaalsContact O-CG1 3.24Å; T765-I769 WeakPolarHBondContact O-CG1 3.46Å; T765-I769 PolarHBondContact O-N 3.11Å; V766-I769 PolarHBondContact O-N 3.36Å; I769-L771 VanDerWaalsContact C-N 3.33Å; I769-L771 PolarHBondContact O-N 3.01Å; I769-E773 HydrophobicContact CG2-CB 4.2Å; I769-E773 HydrophobicContact CG2-CG 4.43Å; I769-E773 WeakPolarHBondContact O-CB 3.37Å; I769-E773 PolarHBondContact O-N 3.22Å; I769-E773 VanDerWaalsContact O-N 3.13Å; I769-V778 HydrophobicContact CD1-CG1 4.47Å; I769-V778 HydrophobicContact CG2-CG2 3.89Å; I769-R835 PolarHBondContact O-NH2 3.05Å; I769-Y855 HydrophobicContact CG2-CD1 3.86Å; I769-Y855 HydrophobicContact CG2-CD2 3.95Å; I769-Y855 HydrophobicContact CG2-CE1 4.38Å; I769-Y855 HydrophobicContact CG2-CE2 4.48Å; I769-Y855 HydrophobicContact CG2-CG 3.62Å; I769-V857 HydrophobicContact CD1-CG2 3.71Å; I769-Y902 HydrophobicContact CD1-CD2 3.59Å; I769-Y902 HydrophobicContact CD1-CE2 3.49Å; I769-Y902 VanDerWaalsContact CD1-CE2 3.49Å; I769-Y902 HydrophobicContact CD1-CG 4.24Å; I769-Y902 HydrophobicContact CG1-CD2 4.31Å; I769-Y902 HydrophobicContact CG1-CE1 4.41Å; I769-Y902 HydrophobicContact CG1-CE2 3.77Å
770	H	90.1	Very high	91.5	Very high	9 Å²	9	37 Å²	37	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-40.8	-178.6	-176.2	59.8	0	0	0	112.9	V766 M767 Q768 P807 E808 L809 R835	V766-H770 WeakPolarHBondContact O-CB 2.97Å; V766-H770 PolarHBondContact O-N 2.73Å; M767-H770 PolarHBondContact O-N 3.24Å; Q768-H770 VanDerWaalsContact C-N 3.27Å; Q768-H770 PolarHBondContact O-N 2.67Å; H770-P807 PolarHBondContact NE2-O 3.28Å; H770-E808 PolarHBondContact NE2-O 3.41Å; H770-E808 VanDerWaalsContact NE2-O 3.12Å; H770-L809 HydrophobicContact CB-CD1 4.31Å; H770-L809 WeakPolarHBondContact CE1-CD1 3.38Å; H770-L809 WeakPolarHBondContact ND1-CD1 3.49Å; H770-R835 WeakPolarHBondContact CE1-CB 3.21Å; H770-R835 WeakPolarHBondContact CE1-CD 3.38Å; H770-R835 WeakPolarHBondContact CE1-CG 3.21Å; H770-R835 PolarHBondContact CE1-NE 3.3Å; H770-R835 WeakPolarHBondContact ND1-CD 3.16Å; H770-R835 PolarHBondContact ND1-NE 3.33Å; H770-R835 VanDerWaalsContact ND1-NE 3.14Å; H770-R835 WeakPolarHBondContact NE2-CB 3.41Å; H770-R835 PolarHBondContact O-NH2 3.38Å
771	L	88.5	Confident	91.7	Very high	93 Å²	93	35 Å²	35	49%	0.487	20%	0.2	S	C	.	.	H	α-helix	trans	-84.3	-34.3	-176.1	-66.7	170.3	0	0	0	114.4	M767 Q768 I769 V806	M767-L771 WeakPolarHBondContact O-CG 3.47Å; M767-L771 PolarHBondContact O-N 3.19Å; M767-L771 VanDerWaalsContact O-N 3.08Å; Q768-L771 PolarHBondContact O-N 3.18Å; I769-L771 VanDerWaalsContact C-N 3.33Å; I769-L771 PolarHBondContact O-N 3.01Å; L771-V806 HydrophobicContact CD2-CB 4.47Å; L771-V806 HydrophobicContact CD2-CG1 3.7Å; L771-V806 HydrophobicContact CD2-CG2 3.88Å
772	T	89.6	Confident	91.8	Very high	95 Å²	95	34.7 Å²	34.7	58%	0.583	20%	0.197	S	C	*	.	H	α-helix	trans	-112.9	-20.6	-170.2	68.8	0	0	0	0	115.5	Q768	Q768-T772 PolarHBondContact O-N 2.98Å; Q768-T772 PolarHBondContact O-OG1 2.92Å
773	E	90.4	Very high	91.7	Very high	39 Å²	39	35.1 Å²	35.1	18%	0.182	20%	0.199	C	C	.	.	S	Bend	trans	-98	151.7	-176.7	-68.6	-79.9	173.7	0	0	112.2	I769 R835 Y855 K900 Y902	I769-E773 HydrophobicContact CG2-CB 4.2Å; I769-E773 HydrophobicContact CG2-CG 4.43Å; I769-E773 WeakPolarHBondContact O-CB 3.37Å; I769-E773 PolarHBondContact O-N 3.22Å; I769-E773 VanDerWaalsContact O-N 3.13Å; E773-R835 PolarHBondContact O-NH2 3.04Å; E773-Y855 HydrophobicContact CB-CE1 3.71Å; E773-Y855 HydrophobicContact CG-CE1 3.98Å; E773-K900 IonicContact OE1-NZ 3.29Å; E773-K900 PolarHBondContact OE1-NZ 2.89Å; E773-K900 IonicContact OE2-NZ 2.94Å; E773-K900 PolarHBondContact OE2-NZ 3.24Å; E773-Y902 PolarHBondContact OE1-OH 2.72Å
774	P	88.9	Confident	91.5	Very high	78 Å²	78	35.5 Å²	35.5	51%	0.506	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-52.9	166.8	176.4	-29.5	36.1	0	0	0	115.8	G776 R835 Y855	P774-G776 PolarHBondContact O-N 3.36Å; P774-R835 PolarHBondContact O-NH1 3.12Å; P774-R835 PolarHBondContact O-NH2 3.25Å; P774-Y855 WeakPolarHBondContact CD-OH 3.45Å; P774-Y855 WeakPolarHBondContact O-CE2 3.47Å; P774-Y855 PolarHBondContact O-OH 2.87Å; P774-Y855 VanDerWaalsContact O-OH 3.06Å
775	P	86.7	Confident	91.1	Very high	122 Å²	122	35.5 Å²	35.5	79%	0.792	20%	0.202	S	C	*	.	S	Bend	trans	-59.5	131.3	178.5	-24.7	35.2	0	0	0	113.4
776	G	88.6	Confident	90.6	Very high	13 Å²	13	40.1 Å²	40.1	13%	0.134	22%	0.222	C	C	.	.			trans	164.9	146.1	177.8	0	0	0	0	0	110.4	P774 R835 Y855	P774-G776 PolarHBondContact O-N 3.36Å; G776-R835 WeakPolarHBondContact O-CD 3.28Å; G776-R835 VanDerWaalsContact O-CG 3.27Å; G776-R835 WeakPolarHBondContact O-CG 3.16Å; G776-R835 PolarHBondContact O-NH1 2.97Å; G776-Y855 WeakPolarHBondContact O-CD2 3.5Å
777	D	92.2	Very high	90.3	Very high	14 Å²	14	40.8 Å²	40.8	8%	0.075	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	153.2	-174	-62	-30.6	0	0	0	111.8	K836 G852 I853 Y854 Y855	D777-K836 WeakPolarHBondContact CA-O 3.38Å; D777-K836 HydrophobicContact CB-CB 4.31Å; D777-K836 WeakPolarHBondContact CB-O 3.42Å; D777-K836 WeakPolarHBondContact OD1-CB 3.21Å; D777-K836 PolarHBondContact OD1-N 3.2Å; D777-K836 WeakPolarHBondContact OD2-CE 3.36Å; D777-K836 IonicContact OD2-NZ 3.68Å; D777-G852 VanDerWaalsContact CB-O 3.27Å; D777-G852 WeakPolarHBondContact CB-O 3.48Å; D777-G852 PolarHBondContact N-O 2.6Å; D777-I853 WeakPolarHBondContact O-CA 3.43Å; D777-Y854 PolarHBondContact O-N 3.05Å; D777-Y855 PolarHBondContact O-N 2.94Å; D777-Y855 VanDerWaalsContact O-N 3.13Å
778	V	93.8	Very high	90.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.1	-178	-163.3	0	0	0	0	110.4	V766 I769 V780 K836 V837 V838 Y855 V857	V766-V778 HydrophobicContact CG2-CG1 4.32Å; I769-V778 HydrophobicContact CD1-CG1 4.47Å; I769-V778 HydrophobicContact CG2-CG2 3.89Å; V778-V780 HydrophobicContact CG1-CG2 4.31Å; V778-K836 PolarHBondContact N-O 3.49Å; V778-V837 HydrophobicContact CB-CG2 4.15Å; V778-V837 HydrophobicContact CG2-CG2 4.19Å; V778-V837 WeakPolarHBondContact O-CA 3.27Å; V778-V838 PolarHBondContact O-N 2.91Å; V778-Y855 CarbonylContact C-O 3.59Å; V778-Y855 WeakPolarHBondContact CA-O 3.4Å; V778-V857 HydrophobicContact CG1-CG2 4.13Å
779	L	94.4	Very high	90	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120.2	168.8	178.1	66.1	0	0	0	109.9	F781 V838 A840 A844 I853 Y855 V856 V857 R892	L779-F781 HydrophobicContact CD2-CE1 4.46Å; L779-F781 HydrophobicContact CD2-CE2 3.68Å; L779-F781 HydrophobicContact CD2-CZ 3.58Å; L779-F781 HydrophobicContact CG-CE2 4.01Å; L779-F781 HydrophobicContact CG-CZ 4.21Å; L779-V838 WeakPolarHBondContact CA-O 3.39Å; L779-V838 HydrophobicContact CD1-CB 4Å; L779-V838 HydrophobicContact CD1-CG1 4.02Å; L779-A840 HydrophobicContact CD1-CB 3.81Å; L779-A844 HydrophobicContact CD1-CB 4.08Å; L779-A844 HydrophobicContact CD2-CB 4.15Å; L779-I853 HydrophobicContact CB-CD1 3.83Å; L779-I853 HydrophobicContact CB-CG1 4.29Å; L779-I853 HydrophobicContact CB-CG2 4.01Å; L779-I853 HydrophobicContact CD2-CD1 3.89Å; L779-I853 HydrophobicContact CG-CD1 4.3Å; L779-Y855 PolarHBondContact N-O 2.91Å; L779-V856 HydrophobicContact CB-CG2 4.39Å; L779-V856 CarbonylContact O-C 3.56Å; L779-V856 WeakPolarHBondContact O-CA 3.34Å; L779-V857 PolarHBondContact O-N 3.35Å; L779-R892 HydrophobicContact CD2-CB 3.88Å; L779-R892 HydrophobicContact CD2-CG 3.85Å
780	V	95.4	Very high	89.8	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.018	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.5	178.2	-170.2	0	0	0	0	108.9	V766 V778 L782 V837 V838 I839 A840 V857	V766-V780 HydrophobicContact CG2-CG2 3.38Å; V778-V780 HydrophobicContact CG1-CG2 4.31Å; V780-L782 HydrophobicContact CG1-CD2 4.44Å; V780-L782 HydrophobicContact CG1-CG 4.27Å; V780-V837 HydrophobicContact CG2-CG1 4.01Å; V780-V838 PolarHBondContact N-O 2.94Å; V780-I839 HydrophobicContact CB-CG1 4.43Å; V780-I839 HydrophobicContact CB-CG2 4.29Å; V780-I839 HydrophobicContact CG2-CG1 4.42Å; V780-A840 PolarHBondContact O-N 3.37Å; V780-V857 HydrophobicContact CG1-CB 4.33Å; V780-V857 HydrophobicContact CG1-CG1 4.49Å; V780-V857 HydrophobicContact CG2-CB 4.43Å
781	F	95.4	Very high	89.8	Confident	1 Å²	1	36.9 Å²	36.9	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.5	174.3	-73.2	-82.8	0	0	0	111.2	L779 A840 A844 E845 V856 V857 P859 R889 R892	L779-F781 HydrophobicContact CD2-CE1 4.46Å; L779-F781 HydrophobicContact CD2-CE2 3.68Å; L779-F781 HydrophobicContact CD2-CZ 3.58Å; L779-F781 HydrophobicContact CG-CE2 4.01Å; L779-F781 HydrophobicContact CG-CZ 4.21Å; F781-A840 CarbonylContact C-O 3.58Å; F781-A840 WeakPolarHBondContact CA-O 3.3Å; F781-A844 HydrophobicContact CE1-CB 3.98Å; F781-A844 HydrophobicContact CZ-CB 4.33Å; F781-E845 HydrophobicContact CE1-CB 4.27Å; F781-V856 HydrophobicContact CD2-CG1 4.02Å; F781-V856 HydrophobicContact CE2-CG1 3.82Å; F781-V857 PolarHBondContact N-O 3.27Å; F781-P859 WeakPolarHBondContact O-CD 3.49Å; F781-P859 WeakPolarHBondContact O-CG 2.5Å; F781-R889 HydrophobicContact CD1-CG 4.25Å; F781-R889 HydrophobicContact CD2-CB 4.11Å; F781-R889 HydrophobicContact CD2-CG 3.97Å; F781-R889 HydrophobicContact CE1-CG 3.96Å; F781-R889 HydrophobicContact CE2-CB 3.64Å; F781-R889 HydrophobicContact CE2-CG 3.66Å; F781-R889 HydrophobicContact CG-CG 4.25Å; F781-R889 HydrophobicContact CZ-CB 4.01Å; F781-R889 HydrophobicContact CZ-CG 3.66Å; F781-R892 HydrophobicContact CZ-CG 4.17Å
782	L	93.3	Very high	89.9	Confident	6 Å²	6	32.4 Å²	32.4	3%	0.031	19%	0.188	C	C	.	.			trans	-124.1	162.5	172.4	-65.2	-177.3	0	0	0	111	L759 V780 E787 I788 A791 I839 A840 T841	L759-L782 HydrophobicContact CD1-CD1 3.6Å; L759-L782 HydrophobicContact CD1-CD2 3.65Å; L759-L782 HydrophobicContact CD1-CG 4.29Å; V780-L782 HydrophobicContact CG1-CD2 4.44Å; V780-L782 HydrophobicContact CG1-CG 4.27Å; L782-E787 HydrophobicContact CB-CB 4.44Å; L782-E787 HydrophobicContact CD1-CB 4.35Å; L782-I788 HydrophobicContact CB-CD1 4.48Å; L782-I788 HydrophobicContact CB-CG1 3.81Å; L782-I788 HydrophobicContact CD1-CG1 4.15Å; L782-A791 HydrophobicContact CD1-CB 3.55Å; L782-I839 HydrophobicContact CD1-CG2 3.47Å; L782-I839 VanDerWaalsContact CD1-CG2 3.47Å; L782-I839 HydrophobicContact CG-CG2 3.96Å; L782-A840 PolarHBondContact N-O 3.45Å; L782-T841 WeakPolarHBondContact O-CA 3.45Å
783	T	90.3	Very high	89.8	Confident	11 Å²	11	29.8 Å²	29.8	7%	0.067	17%	0.169	C	C	.	.	S	Bend	trans	-86	-24.9	-163.7	83.9	0	0	0	0	114.3	Y758 E787 F861 K863 V878	Y758-T783 HydrophobicContact CE2-CG2 4.43Å; Y758-T783 WeakPolarHBondContact OH-CG2 3.2Å; T783-E787 VanDerWaalsContact CB-OE2 3.3Å; T783-E787 WeakPolarHBondContact CB-OE2 3.27Å; T783-E787 WeakPolarHBondContact CG2-OE2 2.89Å; T783-E787 PolarHBondContact N-OE2 3.39Å; T783-E787 VanDerWaalsContact N-OE2 3.08Å; T783-E787 PolarHBondContact OG1-OE1 3.11Å; T783-E787 PolarHBondContact OG1-OE2 2.82Å; T783-F861 HydrophobicContact CG2-CB 3.57Å; T783-K863 WeakPolarHBondContact OG1-CD 3.34Å; T783-K863 WeakPolarHBondContact OG1-CE 3.36Å; T783-K863 PolarHBondContact OG1-NZ 2.6Å; T783-V878 HydrophobicContact CG2-CG1 4.34Å
784	G	87.9	Confident	89.8	Confident	12 Å²	12	29.9 Å²	29.9	12%	0.124	17%	0.17	C	C	.	.	S	Bend	trans	-164.9	173.7	-177.6	0	0	0	0	0	115.5	E786 E787 I788	G784-E786 PolarHBondContact O-N 3.39Å; G784-E787 PolarHBondContact O-N 2.85Å; G784-I788 WeakPolarHBondContact O-CG1 3.25Å; G784-I788 PolarHBondContact O-N 3.3Å; G784-I788 VanDerWaalsContact O-N 3.14Å
785	Q	84.8	Confident	89.8	Confident	90 Å²	90	26.2 Å²	26.2	42%	0.421	15%	0.146	S	C	.	.	H	α-helix	trans	-55.8	-41.6	-172.9	172.5	169.2	14.2	0	0	114.1	I788 D789 Y815	Q785-I788 PolarHBondContact O-N 3Å; Q785-D789 WeakPolarHBondContact O-CB 3.44Å; Q785-D789 PolarHBondContact O-N 3.14Å; Q785-Y815 HydrophobicContact CB-CD1 4.21Å; Q785-Y815 HydrophobicContact CB-CD2 4.29Å; Q785-Y815 HydrophobicContact CB-CE1 4.31Å; Q785-Y815 HydrophobicContact CB-CE2 4.41Å; Q785-Y815 HydrophobicContact CB-CG 4.17Å; Q785-Y815 VanDerWaalsContact CD-CE2 3.45Å; Q785-Y815 HydrophobicContact CG-CD1 4.2Å; Q785-Y815 HydrophobicContact CG-CD2 4.14Å; Q785-Y815 HydrophobicContact CG-CE1 3.8Å; Q785-Y815 HydrophobicContact CG-CE2 3.76Å; Q785-Y815 HydrophobicContact CG-CG 4.33Å; Q785-Y815 VanDerWaalsContact NE2-CE2 3.29Å; Q785-Y815 PolarHBondContact NE2-OH 3.32Å; Q785-Y815 VanDerWaalsContact NE2-OH 3.11Å
786	E	83.2	Confident	89.8	Confident	116 Å²	116	23.4 Å²	23.4	54%	0.542	12%	0.12	S	C	.	.	H	α-helix	trans	-66.7	-46.8	-176.9	-62.5	-173.7	-175.8	0	0	112.1	R489 G784 I788 D789 T790	R489-E786 IonicContact CZ-OE2 3.17Å; R489-E786 IonicContact NE-OE2 2.63Å; R489-E786 IonicContact NH2-OE1 3.22Å; R489-E786 PolarHBondContact NH2-OE1 2.91Å; R489-E786 IonicContact NH2-OE2 2.64Å; R489-E786 PolarHBondContact NH2-OE2 2.88Å; G784-E786 PolarHBondContact O-N 3.39Å; E786-I788 VanDerWaalsContact C-N 3.27Å; E786-I788 PolarHBondContact O-N 2.79Å; E786-D789 PolarHBondContact O-N 2.9Å; E786-T790 WeakPolarHBondContact O-CB 3.3Å; E786-T790 PolarHBondContact O-N 3.37Å; E786-T790 PolarHBondContact O-OG1 2.83Å
787	E	87.3	Confident	89.8	Confident	15 Å²	15	28 Å²	28	7%	0.07	14%	0.138	C	C	.	.	H	α-helix	trans	-57.7	-40.4	172.6	-73.9	142.1	-107.8	0	0	111.7	Y758 L759 L782 T783 G784 A791 K863	Y758-E787 PolarHBondContact OH-OE2 3.26Å; L759-E787 HydrophobicContact CD1-CB 4.23Å; L782-E787 HydrophobicContact CB-CB 4.44Å; L782-E787 HydrophobicContact CD1-CB 4.35Å; T783-E787 VanDerWaalsContact CB-OE2 3.3Å; T783-E787 WeakPolarHBondContact CB-OE2 3.27Å; T783-E787 WeakPolarHBondContact CG2-OE2 2.89Å; T783-E787 PolarHBondContact N-OE2 3.39Å; T783-E787 VanDerWaalsContact N-OE2 3.08Å; T783-E787 PolarHBondContact OG1-OE1 3.11Å; T783-E787 PolarHBondContact OG1-OE2 2.82Å; G784-E787 PolarHBondContact O-N 2.85Å; E787-A791 WeakPolarHBondContact O-CB 3.36Å; E787-A791 PolarHBondContact O-N 2.71Å; E787-K863 IonicContact OE1-NZ 2.71Å; E787-K863 PolarHBondContact OE1-NZ 3.47Å
788	I	90.6	Very high	89.6	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69	-48.5	-179.8	-66.8	171.4	0	0	0	111.2	L782 G784 Q785 E786 T790 A791 C792 P813 Y815 I839 T841	L782-I788 HydrophobicContact CB-CD1 4.48Å; L782-I788 HydrophobicContact CB-CG1 3.81Å; L782-I788 HydrophobicContact CD1-CG1 4.15Å; G784-I788 WeakPolarHBondContact O-CG1 3.25Å; G784-I788 PolarHBondContact O-N 3.3Å; G784-I788 VanDerWaalsContact O-N 3.14Å; Q785-I788 PolarHBondContact O-N 3Å; E786-I788 VanDerWaalsContact C-N 3.27Å; E786-I788 PolarHBondContact O-N 2.79Å; I788-T790 VanDerWaalsContact C-N 3.3Å; I788-T790 PolarHBondContact O-N 2.84Å; I788-A791 PolarHBondContact O-N 3.28Å; I788-C792 PolarHBondContact O-N 3.12Å; I788-C792 PolarHBondContact O-SG 2.91Å; I788-P813 HydrophobicContact CG2-CB 3.46Å; I788-P813 VanDerWaalsContact CG2-CB 3.46Å; I788-Y815 HydrophobicContact CB-CD1 4.19Å; I788-Y815 HydrophobicContact CB-CE1 4.38Å; I788-Y815 HydrophobicContact CD1-CD1 4.07Å; I788-Y815 HydrophobicContact CG2-CD1 3.96Å; I788-Y815 HydrophobicContact CG2-CE1 4.01Å; I788-I839 HydrophobicContact CB-CG2 4.45Å; I788-I839 HydrophobicContact CG1-CG2 4.07Å; I788-I839 HydrophobicContact CG2-CB 4.29Å; I788-I839 HydrophobicContact CG2-CG2 4.12Å; I788-T841 HydrophobicContact CD1-CG2 3.65Å
789	D	87.4	Confident	89.1	Confident	18 Å²	18	32.2 Å²	32.2	10%	0.096	15%	0.154	C	C	.	.	H	α-helix	trans	-60.8	-39.2	178.3	-100.4	40	0	0	0	111.2	W540 K541 Q785 E786 E793 Y815	W540-D789 VanDerWaalsContact CZ2-O 3.25Å; W540-D789 WeakPolarHBondContact CZ2-O 3.42Å; K541-D789 IonicContact NZ-OD1 3.31Å; K541-D789 IonicContact NZ-OD2 3.75Å; K541-D789 PolarHBondContact NZ-OD2 3.34Å; Q785-D789 WeakPolarHBondContact O-CB 3.44Å; Q785-D789 PolarHBondContact O-N 3.14Å; E786-D789 PolarHBondContact O-N 2.9Å; D789-E793 WeakPolarHBondContact O-CB 3.48Å; D789-E793 PolarHBondContact O-N 3.05Å; D789-Y815 PolarHBondContact OD1-OH 3.35Å
790	T	86.8	Confident	88.7	Confident	47 Å²	47	38.2 Å²	38.2	29%	0.288	18%	0.181	S	C	.	.	H	α-helix	trans	-74	-37.2	175.2	-71	0	0	0	0	112.7	E786 I788 E793 I794	E786-T790 WeakPolarHBondContact O-CB 3.3Å; E786-T790 PolarHBondContact O-N 3.37Å; E786-T790 PolarHBondContact O-OG1 2.83Å; I788-T790 VanDerWaalsContact C-N 3.3Å; I788-T790 PolarHBondContact O-N 2.84Å; T790-E793 WeakPolarHBondContact O-CB 3.44Å; T790-E793 PolarHBondContact O-N 3.39Å; T790-I794 HydrophobicContact CG2-CD1 3.69Å; T790-I794 HydrophobicContact CG2-CG1 4.3Å; T790-I794 WeakPolarHBondContact O-CG1 3.31Å; T790-I794 PolarHBondContact O-N 3.06Å
791	A	90.5	Very high	88.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-44	174.6	0	0	0	0	0	111.8	L759 L763 L782 E787 I788 E793 L795 I839	L759-A791 HydrophobicContact CD1-CB 4.2Å; L763-A791 HydrophobicContact CD2-CB 4.05Å; L782-A791 HydrophobicContact CD1-CB 3.55Å; E787-A791 WeakPolarHBondContact O-CB 3.36Å; E787-A791 PolarHBondContact O-N 2.71Å; I788-A791 PolarHBondContact O-N 3.28Å; A791-E793 VanDerWaalsContact C-N 3.3Å; A791-E793 PolarHBondContact O-N 3.3Å; A791-L795 WeakPolarHBondContact O-CB 3.3Å; A791-L795 PolarHBondContact O-N 3.36Å; A791-I839 HydrophobicContact CB-CD1 4.12Å; A791-I839 HydrophobicContact CB-CG2 4.43Å
792	C	90.3	Very high	87.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-37.4	175.1	-67.9	0	0	0	0	112.6	W540 I788 Y796 I811	W540-C792 HydrophobicContact CD2-CB 3.99Å; W540-C792 HydrophobicContact CE3-CB 3.69Å; W540-C792 HydrophobicContact CH2-CB 3.36Å; W540-C792 HydrophobicContact CZ2-CB 3.68Å; W540-C792 HydrophobicContact CZ3-CB 3.39Å; I788-C792 PolarHBondContact O-N 3.12Å; I788-C792 PolarHBondContact O-SG 2.91Å; C792-Y796 VanDerWaalsContact O-CB 3.28Å; C792-Y796 WeakPolarHBondContact O-CB 3.49Å; C792-Y796 PolarHBondContact O-N 2.88Å; C792-Y796 VanDerWaalsContact O-N 3.08Å; C792-I811 HydrophobicContact CB-CG2 3.86Å; C792-I811 VanDerWaalsContact SG-CG2 3.52Å
793	E	87.8	Confident	86.6	Confident	40 Å²	40	47.6 Å²	47.6	19%	0.187	25%	0.246	C	C	.	.	H	α-helix	trans	-66.4	-54.8	178.3	-164.8	173.9	-145.8	0	0	111.4	K492 D789 T790 A791 L795 Y796 E797	K492-E793 IonicContact NZ-OE1 2.81Å; K492-E793 PolarHBondContact NZ-OE1 3.4Å; K492-E793 IonicContact NZ-OE2 3.85Å; K492-E793 PolarHBondContact NZ-OE2 2.72Å; D789-E793 WeakPolarHBondContact O-CB 3.48Å; D789-E793 PolarHBondContact O-N 3.05Å; T790-E793 WeakPolarHBondContact O-CB 3.44Å; T790-E793 PolarHBondContact O-N 3.39Å; A791-E793 VanDerWaalsContact C-N 3.3Å; A791-E793 PolarHBondContact O-N 3.3Å; E793-L795 VanDerWaalsContact C-N 3.34Å; E793-L795 PolarHBondContact O-N 3.36Å; E793-Y796 PolarHBondContact O-N 2.8Å; E793-E797 WeakPolarHBondContact O-CG 3.31Å; E793-E797 PolarHBondContact O-N 2.66Å
794	I	89.6	Confident	85.9	Confident	41 Å²	41	53.5 Å²	53.5	21%	0.21	28%	0.284	C	S	.	.	H	α-helix	trans	-62.2	-40.3	178.5	-62.7	169.2	0	0	0	111.5	L763 T790 E797 R798	L763-I794 HydrophobicContact CD1-CB 3.84Å; L763-I794 HydrophobicContact CD1-CD1 4.41Å; L763-I794 HydrophobicContact CD1-CG2 3.67Å; T790-I794 HydrophobicContact CG2-CD1 3.69Å; T790-I794 HydrophobicContact CG2-CG1 4.3Å; T790-I794 WeakPolarHBondContact O-CG1 3.31Å; T790-I794 PolarHBondContact O-N 3.06Å; I794-E797 PolarHBondContact O-N 2.68Å; I794-R798 HydrophobicContact CG2-CG 4.47Å; I794-R798 WeakPolarHBondContact O-CB 3.41Å; I794-R798 WeakPolarHBondContact O-CG 3.33Å; I794-R798 PolarHBondContact O-N 3.11Å
795	L	89.5	Confident	85.1	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.8	-38.5	178.9	-173	62.8	0	0	0	111.8	L763 V766 M767 A791 E793 M799 L809 I811 V837 I839	L763-L795 HydrophobicContact CD2-CB 4.03Å; L763-L795 HydrophobicContact CD2-CD1 4.32Å; L763-L795 HydrophobicContact CD2-CD2 4.47Å; V766-L795 HydrophobicContact CG1-CD1 4.09Å; V766-L795 HydrophobicContact CG1-CD2 4.16Å; M767-L795 HydrophobicContact CG-CD1 3.94Å; M767-L795 HydrophobicContact SD-CD1 3.4Å; M767-L795 WeakPolarHBondContact SD-CD1 3.31Å; A791-L795 WeakPolarHBondContact O-CB 3.3Å; A791-L795 PolarHBondContact O-N 3.36Å; E793-L795 VanDerWaalsContact C-N 3.34Å; E793-L795 PolarHBondContact O-N 3.36Å; L795-M799 WeakPolarHBondContact O-CG 3.48Å; L795-M799 PolarHBondContact O-N 2.86Å; L795-L809 HydrophobicContact CD1-CD2 4.08Å; L795-L809 HydrophobicContact CD2-CD2 4.11Å; L795-L809 HydrophobicContact CG-CD2 4.05Å; L795-I811 HydrophobicContact CB-CD1 3.94Å; L795-I811 HydrophobicContact CD2-CD1 3.88Å; L795-I811 HydrophobicContact CD2-CG1 3.88Å; L795-I811 HydrophobicContact CD2-CG2 4.32Å; L795-I811 HydrophobicContact CG-CD1 3.73Å; L795-I811 HydrophobicContact CG-CG1 4.25Å; L795-V837 HydrophobicContact CD2-CG1 4.14Å; L795-I839 HydrophobicContact CD2-CD1 4.04Å
796	Y	87.9	Confident	84.7	Confident	63 Å²	63	58.9 Å²	58.9	25%	0.247	31%	0.308	C	S	.	.	H	α-helix	trans	-68.5	-42.6	175.7	-174.8	-99.2	0	0	0	112.3	E539 W540 C792 E793 M799 K800 I811	E539-Y796 HydrophobicContact CB-CE1 3.74Å; E539-Y796 WeakPolarHBondContact CB-OH 3.37Å; W540-Y796 HydrophobicContact CB-CD1 3.86Å; W540-Y796 HydrophobicContact CB-CD2 3.58Å; W540-Y796 HydrophobicContact CB-CE1 4.37Å; W540-Y796 HydrophobicContact CB-CE2 4.13Å; W540-Y796 HydrophobicContact CB-CG 3.43Å; W540-Y796 VanDerWaalsContact CB-CG 3.43Å; W540-Y796 HydrophobicContact CG-CG 4.47Å; C792-Y796 VanDerWaalsContact O-CB 3.28Å; C792-Y796 WeakPolarHBondContact O-CB 3.49Å; C792-Y796 PolarHBondContact O-N 2.88Å; C792-Y796 VanDerWaalsContact O-N 3.08Å; E793-Y796 PolarHBondContact O-N 2.8Å; Y796-M799 PolarHBondContact O-N 3.01Å; Y796-K800 HydrophobicContact CE1-CD 4.37Å; Y796-K800 WeakPolarHBondContact O-CB 3.39Å; Y796-K800 PolarHBondContact O-N 3.31Å; Y796-I811 HydrophobicContact CD2-CD1 4.46Å
797	E	87.7	Confident	84.5	Confident	110 Å²	110	56.7 Å²	56.7	51%	0.514	30%	0.304	S	S	.	.	H	α-helix	trans	-60.6	-44.3	174.4	-72.2	169.5	-173.5	0	0	111.5	E793 I794 K800 S801	E793-E797 WeakPolarHBondContact O-CG 3.31Å; E793-E797 PolarHBondContact O-N 2.66Å; I794-E797 PolarHBondContact O-N 2.68Å; E797-K800 PolarHBondContact O-N 3.44Å; E797-S801 PolarHBondContact O-N 2.98Å
798	R	87.8	Confident	84.4	Confident	76 Å²	76	60.8 Å²	60.8	29%	0.287	32%	0.323	S	S	.	.	H	α-helix	trans	-61	-46.9	174.5	-75.2	176.9	176.8	173.5	1.7	112	D760 M767 I794 K800 S801 L802	D760-R798 IonicContact OD1-CZ 3.94Å; D760-R798 IonicContact OD1-NH1 2.81Å; D760-R798 PolarHBondContact OD1-NH1 3.12Å; D760-R798 IonicContact OD1-NH2 3.98Å; D760-R798 PolarHBondContact OD1-NH2 3.42Å; D760-R798 IonicContact OD2-NH2 2.65Å; D760-R798 PolarHBondContact OD2-NH2 2.93Å; M767-R798 HydrophobicContact CE-CB 4.37Å; I794-R798 HydrophobicContact CG2-CG 4.47Å; I794-R798 WeakPolarHBondContact O-CB 3.41Å; I794-R798 WeakPolarHBondContact O-CG 3.33Å; I794-R798 PolarHBondContact O-N 3.11Å; R798-K800 VanDerWaalsContact C-N 3.35Å; R798-K800 PolarHBondContact O-N 2.95Å; R798-S801 PolarHBondContact O-N 3.38Å; R798-S801 VanDerWaalsContact O-N 3.17Å; R798-S801 PolarHBondContact O-OG 3.32Å; R798-L802 PolarHBondContact O-N 3.01Å
799	M	84.5	Confident	84.2	Confident	26 Å²	26	61.4 Å²	61.4	13%	0.128	33%	0.326	C	S	.	.	H	α-helix	trans	-59.4	-42.8	174.1	-75.2	-62.1	-54	0	0	112.5	M767 L795 Y796 S801 L802 V806 P807 L809	M767-M799 HydrophobicContact CE-CG 4.36Å; M767-M799 HydrophobicContact CE-SD 3.66Å; M767-M799 HydrophobicContact SD-CG 4.34Å; M767-M799 HydrophobicContact SD-SD 3.95Å; L795-M799 WeakPolarHBondContact O-CG 3.48Å; L795-M799 PolarHBondContact O-N 2.86Å; Y796-M799 PolarHBondContact O-N 3.01Å; M799-S801 PolarHBondContact O-N 3.1Å; M799-L802 PolarHBondContact O-N 3.47Å; M799-V806 HydrophobicContact CE-CB 4.5Å; M799-V806 HydrophobicContact CE-CG1 3.87Å; M799-P807 WeakPolarHBondContact CE-O 3.29Å; M799-L809 HydrophobicContact CE-CB 3.66Å; M799-L809 HydrophobicContact CG-CB 3.93Å; M799-L809 HydrophobicContact CG-CD2 3.66Å; M799-L809 HydrophobicContact CG-CG 4.44Å; M799-L809 HydrophobicContact SD-CB 3.78Å; M799-L809 HydrophobicContact SD-CD2 3.65Å; M799-L809 HydrophobicContact SD-CG 4.33Å
800	K	84.8	Confident	84.3	Confident	128 Å²	128	61.8 Å²	61.8	56%	0.557	33%	0.328	S	S	*	.	H	α-helix	trans	-63.4	-30.5	177.4	-164.1	172.1	-172	175.6	0	112.3	E539 Y796 E797 R798	E539-K800 VanDerWaalsContact CD-NZ 3.3Å; E539-K800 IonicContact OE1-NZ 2.79Å; E539-K800 PolarHBondContact OE1-NZ 3.44Å; E539-K800 VanDerWaalsContact OE1-NZ 3.17Å; E539-K800 IonicContact OE2-NZ 2.68Å; E539-K800 PolarHBondContact OE2-NZ 2.9Å; Y796-K800 HydrophobicContact CE1-CD 4.37Å; Y796-K800 WeakPolarHBondContact O-CB 3.39Å; Y796-K800 PolarHBondContact O-N 3.31Å; E797-K800 PolarHBondContact O-N 3.44Å; R798-K800 VanDerWaalsContact C-N 3.35Å; R798-K800 PolarHBondContact O-N 2.95Å
801	S	85.4	Confident	84.5	Confident	96 Å²	96	60.1 Å²	60.1	67%	0.671	32%	0.317	S	S	*	.	H	α-helix	trans	-75.9	-22.8	176.9	76.2	0	0	0	0	114.9	E797 R798 M799	E797-S801 PolarHBondContact O-N 2.98Å; R798-S801 PolarHBondContact O-N 3.38Å; R798-S801 VanDerWaalsContact O-N 3.17Å; R798-S801 PolarHBondContact O-OG 3.32Å; M799-S801 PolarHBondContact O-N 3.1Å
802	L	81.6	Confident	84.4	Confident	76 Å²	76	60.6 Å²	60.6	40%	0.398	32%	0.319	S	S	.	.	H	α-helix	trans	-82.9	-12.8	-179	-84.4	154.3	0	0	0	114.3	M767 R798 M799 V806	M767-L802 HydrophobicContact CE-CD1 3.12Å; R798-L802 PolarHBondContact O-N 3.01Å; M799-L802 PolarHBondContact O-N 3.47Å; L802-V806 HydrophobicContact CB-CG2 3.99Å; L802-V806 HydrophobicContact CD2-CG2 4.42Å
803	G	74	Confident	84.4	Confident	34 Å²	34	60.8 Å²	60.8	35%	0.351	32%	0.321	S	S	.	.			trans	74.4	-173.6	174.5	0	0	0	0	0	115.2	E805	G803-E805 VanDerWaalsContact C-N 3.33Å; G803-E805 PolarHBondContact O-N 3.16Å
804	P	74	Confident	84.3	Confident	135 Å²	135	59 Å²	59	88%	0.877	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	0.8	-166.7	33.9	-37.6	0	0	0	115.2	V806	P804-V806 VanDerWaalsContact C-N 3.32Å
805	E	71.1	Confident	84.1	Confident	190 Å²	190	57.8 Å²	57.8	89%	0.888	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-16.9	176	-62.2	-168.3	147.6	0	0	112.7	G803	G803-E805 VanDerWaalsContact C-N 3.33Å; G803-E805 PolarHBondContact O-N 3.16Å
806	V	77.6	Confident	83.4	Confident	26 Å²	26	62 Å²	62	16%	0.158	34%	0.335	C	S	.	.	S	Bend	trans	-92.1	135.8	179.3	-177.3	0	0	0	0	110.4	L771 M799 L802 P804	L771-V806 HydrophobicContact CD2-CB 4.47Å; L771-V806 HydrophobicContact CD2-CG1 3.7Å; L771-V806 HydrophobicContact CD2-CG2 3.88Å; M799-V806 HydrophobicContact CE-CB 4.5Å; M799-V806 HydrophobicContact CE-CG1 3.87Å; L802-V806 HydrophobicContact CB-CG2 3.99Å; L802-V806 HydrophobicContact CD2-CG2 4.42Å; P804-V806 VanDerWaalsContact C-N 3.32Å
807	P	78.8	Confident	82.6	Confident	70 Å²	70	62.3 Å²	62.3	46%	0.455	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-53.5	154.1	173.5	-28.3	36.6	0	0	0	113.9	H770 M799	H770-P807 PolarHBondContact NE2-O 3.28Å; M799-P807 WeakPolarHBondContact CE-O 3.29Å
808	E	84.6	Confident	81.8	Confident	100 Å²	100	57.5 Å²	57.5	47%	0.467	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-70.5	135.4	-176.4	-172.4	175.7	-164.4	0	0	112.6	H543 H770 S834 R835	H543-E808 IonicContact CE1-OE1 3.15Å; H543-E808 PolarHBondContact CE1-OE1 3.04Å; H543-E808 IonicContact NE2-OE1 3.54Å; H770-E808 PolarHBondContact NE2-O 3.41Å; H770-E808 VanDerWaalsContact NE2-O 3.12Å; E808-S834 WeakPolarHBondContact O-CA 3.38Å; E808-S834 WeakPolarHBondContact O-CB 3.33Å; E808-R835 PolarHBondContact O-N 2.7Å
809	L	87.4	Confident	80.8	Confident	13 Å²	13	57 Å²	57	7%	0.068	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	107.4	179.5	-163.9	68.4	0	0	0	111.4	M767 H770 L795 M799 I811 R835 V837	M767-L809 HydrophobicContact SD-CD2 4.41Å; H770-L809 HydrophobicContact CB-CD1 4.31Å; H770-L809 WeakPolarHBondContact CE1-CD1 3.38Å; H770-L809 WeakPolarHBondContact ND1-CD1 3.49Å; L795-L809 HydrophobicContact CD1-CD2 4.08Å; L795-L809 HydrophobicContact CD2-CD2 4.11Å; L795-L809 HydrophobicContact CG-CD2 4.05Å; M799-L809 HydrophobicContact CE-CB 3.66Å; M799-L809 HydrophobicContact CG-CB 3.93Å; M799-L809 HydrophobicContact CG-CD2 3.66Å; M799-L809 HydrophobicContact CG-CG 4.44Å; M799-L809 HydrophobicContact SD-CB 3.78Å; M799-L809 HydrophobicContact SD-CD2 3.65Å; M799-L809 HydrophobicContact SD-CG 4.33Å; L809-I811 HydrophobicContact CD2-CG1 4.49Å; L809-I811 HydrophobicContact CG-CG1 4.43Å; L809-I811 PolarHBondContact O-N 2.83Å; L809-R835 WeakPolarHBondContact CA-O 3.44Å; L809-R835 HydrophobicContact CD1-CB 4.17Å; L809-V837 HydrophobicContact CD1-CG2 3.37Å; L809-V837 HydrophobicContact CD2-CG2 4.09Å; L809-V837 HydrophobicContact CG-CG2 3.8Å
810	I	88.5	Confident	79.7	Confident	26 Å²	26	57.1 Å²	57.1	13%	0.133	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	100.6	-178.6	-57.1	179.6	0	0	0	109.6	L812 P831 R835 K836 V837	I810-L812 HydrophobicContact CG2-CD2 4.34Å; I810-L812 HydrophobicContact CG2-CG 4.22Å; I810-P831 HydrophobicContact CD1-CG 4.13Å; I810-R835 PolarHBondContact N-O 2.96Å; I810-K836 WeakPolarHBondContact O-CA 3.4Å; I810-V837 PolarHBondContact O-N 3.43Å
811	I	90.5	Very high	78.9	Confident	12 Å²	12	58.4 Å²	58.4	6%	0.062	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	121.1	-177.1	-53.6	168.2	0	0	0	110.3	C792 L795 Y796 L809 I839	C792-I811 HydrophobicContact CB-CG2 3.86Å; C792-I811 VanDerWaalsContact SG-CG2 3.52Å; L795-I811 HydrophobicContact CB-CD1 3.94Å; L795-I811 HydrophobicContact CD2-CD1 3.88Å; L795-I811 HydrophobicContact CD2-CG1 3.88Å; L795-I811 HydrophobicContact CD2-CG2 4.32Å; L795-I811 HydrophobicContact CG-CD1 3.73Å; L795-I811 HydrophobicContact CG-CG1 4.25Å; Y796-I811 HydrophobicContact CD2-CD1 4.46Å; L809-I811 HydrophobicContact CD2-CG1 4.49Å; L809-I811 HydrophobicContact CG-CG1 4.43Å; L809-I811 PolarHBondContact O-N 2.83Å; I811-I839 HydrophobicContact CG2-CD1 4.16Å
812	L	89.7	Confident	78.1	Confident	10 Å²	10	56.2 Å²	56.2	5%	0.052	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117.2	179.7	-62.1	178.9	0	0	0	112.2	A544 I810 I826 K836 V837 V838 I839	A544-L812 HydrophobicContact CB-CD2 4.32Å; I810-L812 HydrophobicContact CG2-CD2 4.34Å; I810-L812 HydrophobicContact CG2-CG 4.22Å; L812-I826 HydrophobicContact CB-CG2 4.31Å; L812-I826 HydrophobicContact CD1-CG2 4.23Å; L812-K836 HydrophobicContact CD1-CD 3.8Å; L812-K836 HydrophobicContact CD1-CG 4.06Å; L812-V837 PolarHBondContact N-O 2.85Å; L812-V838 WeakPolarHBondContact O-CA 3.22Å; L812-I839 PolarHBondContact O-N 2.82Å
813	P	90.2	Very high	77.5	Confident	4 Å²	4	55.1 Å²	55.1	3%	0.026	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	148.3	176.7	32.7	-35.8	0	0	0	112.8	W540 I788 Y815 L818 I839	W540-P813 HydrophobicContact CZ3-CG 4.21Å; I788-P813 HydrophobicContact CG2-CB 3.46Å; I788-P813 VanDerWaalsContact CG2-CB 3.46Å; P813-Y815 HydrophobicContact CB-CD1 4.5Å; P813-Y815 HydrophobicContact CB-CE1 4.08Å; P813-L818 WeakPolarHBondContact O-CD2 3.1Å; P813-I839 CarbonylContact C-O 3.32Å; P813-I839 WeakPolarHBondContact CA-O 3.38Å
814	V	86.1	Confident	77.4	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.018	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	107.6	176.6	-174.2	0	0	0	0	113.1	I826 V838 I839 A840 T841 I843	V814-I826 HydrophobicContact CG2-CD1 4.06Å; V814-I826 HydrophobicContact CG2-CG2 3.67Å; V814-V838 HydrophobicContact CG2-CG1 3.52Å; V814-I839 PolarHBondContact N-O 3.13Å; V814-A840 HydrophobicContact CB-CB 3.93Å; V814-A840 WeakPolarHBondContact O-CA 3.43Å; V814-T841 PolarHBondContact O-N 2.95Å; V814-T841 PolarHBondContact O-OG1 3.3Å; V814-T841 VanDerWaalsContact O-OG1 3.13Å; V814-I843 HydrophobicContact CG1-CG2 4.06Å
815	Y	84.4	Confident	77.6	Confident	15 Å²	15	50.3 Å²	50.3	6%	0.059	27%	0.274	C	S	.	.			trans	-145.1	163.2	174.2	46.1	-105.4	0	0	0	112.5	Q785 I788 D789 P813 A817 L818 Q823 I843	Q785-Y815 HydrophobicContact CB-CD1 4.21Å; Q785-Y815 HydrophobicContact CB-CD2 4.29Å; Q785-Y815 HydrophobicContact CB-CE1 4.31Å; Q785-Y815 HydrophobicContact CB-CE2 4.41Å; Q785-Y815 HydrophobicContact CB-CG 4.17Å; Q785-Y815 VanDerWaalsContact CD-CE2 3.45Å; Q785-Y815 HydrophobicContact CG-CD1 4.2Å; Q785-Y815 HydrophobicContact CG-CD2 4.14Å; Q785-Y815 HydrophobicContact CG-CE1 3.8Å; Q785-Y815 HydrophobicContact CG-CE2 3.76Å; Q785-Y815 HydrophobicContact CG-CG 4.33Å; Q785-Y815 VanDerWaalsContact NE2-CE2 3.29Å; Q785-Y815 PolarHBondContact NE2-OH 3.32Å; Q785-Y815 VanDerWaalsContact NE2-OH 3.11Å; I788-Y815 HydrophobicContact CB-CD1 4.19Å; I788-Y815 HydrophobicContact CB-CE1 4.38Å; I788-Y815 HydrophobicContact CD1-CD1 4.07Å; I788-Y815 HydrophobicContact CG2-CD1 3.96Å; I788-Y815 HydrophobicContact CG2-CE1 4.01Å; D789-Y815 PolarHBondContact OD1-OH 3.35Å; P813-Y815 HydrophobicContact CB-CD1 4.5Å; P813-Y815 HydrophobicContact CB-CE1 4.08Å; Y815-A817 VanDerWaalsContact C-N 3.27Å; Y815-A817 HydrophobicContact CD2-CB 4.28Å; Y815-A817 PolarHBondContact O-N 2.94Å; Y815-L818 HydrophobicContact CD2-CB 3.88Å; Y815-L818 HydrophobicContact CD2-CD1 4.46Å; Y815-L818 HydrophobicContact CE2-CB 3.98Å; Y815-L818 HydrophobicContact CE2-CD1 3.8Å; Y815-L818 WeakPolarHBondContact O-CB 3.27Å; Y815-L818 PolarHBondContact O-N 2.88Å; Y815-Q823 PolarHBondContact O-NE2 3.26Å; Y815-I843 VanDerWaalsContact C-CD1 3.4Å
816	S	74.7	Confident	78.1	Confident	89 Å²	89	41.4 Å²	41.4	62%	0.622	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.8	-167.6	-56.1	0	0	0	0	114.1	L818 I843	S816-L818 VanDerWaalsContact C-N 3.31Å; S816-I843 WeakPolarHBondContact OG-CD1 3.27Å
817	A	70.6	Confident	78.2	Confident	69 Å²	69	43.5 Å²	43.5	57%	0.57	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-3.5	178.1	0	0	0	0	0	113.8	Y815	Y815-A817 VanDerWaalsContact C-N 3.27Å; Y815-A817 HydrophobicContact CD2-CB 4.28Å; Y815-A817 PolarHBondContact O-N 2.94Å
818	L	71.4	Confident	78.3	Confident	10 Å²	10	43.2 Å²	43.2	5%	0.052	23%	0.234	C	C	.	.	S	Bend	trans	-74	134	-177.1	-164.3	76.2	0	0	0	111	P813 Y815 S816 S820 M822 Q823	P813-L818 WeakPolarHBondContact O-CD2 3.1Å; Y815-L818 HydrophobicContact CD2-CB 3.88Å; Y815-L818 HydrophobicContact CD2-CD1 4.46Å; Y815-L818 HydrophobicContact CE2-CB 3.98Å; Y815-L818 HydrophobicContact CE2-CD1 3.8Å; Y815-L818 WeakPolarHBondContact O-CB 3.27Å; Y815-L818 PolarHBondContact O-N 2.88Å; S816-L818 VanDerWaalsContact C-N 3.31Å; L818-S820 PolarHBondContact O-N 3.33Å; L818-M822 HydrophobicContact CD1-CB 4.45Å; L818-M822 HydrophobicContact CD1-SD 3.68Å; L818-M822 HydrophobicContact CD2-CB 3.76Å; L818-M822 HydrophobicContact CG-CB 3.91Å; L818-M822 HydrophobicContact CG-SD 3.96Å; L818-Q823 HydrophobicContact CB-CG 4.08Å; L818-Q823 HydrophobicContact CD2-CG 3.97Å; L818-Q823 HydrophobicContact CG-CG 4.36Å; L818-Q823 PolarHBondContact O-NE2 3.42Å
819	P	67.1	Low	78.1	Confident	64 Å²	64	43 Å²	43	42%	0.416	24%	0.241	S	C	.	.			trans	-52.3	136.1	173	-29.7	35.4	0	0	0	113.7	E821 M822 Q823	P819-E821 PolarHBondContact O-N 3.04Å; P819-E821 VanDerWaalsContact O-N 3.11Å; P819-M822 HydrophobicContact CB-CE 4.37Å; P819-M822 HydrophobicContact CB-CG 4.34Å; P819-M822 HydrophobicContact CB-SD 4.06Å; P819-M822 HydrophobicContact CG-CE 4.04Å; P819-M822 HydrophobicContact CG-SD 3.89Å; P819-M822 WeakPolarHBondContact O-CB 3.29Å; P819-M822 PolarHBondContact O-N 2.64Å; P819-Q823 PolarHBondContact O-N 2.89Å; P819-Q823 VanDerWaalsContact O-N 3.12Å
820	S	62.3	Low	77.8	Confident	29 Å²	29	43.8 Å²	43.8	20%	0.203	25%	0.25	C	C	.	.	H	α-helix	trans	-61.1	-25.7	-173	-50.1	0	0	0	0	114.8	L818 M822 Q823 T824 R1072	L818-S820 PolarHBondContact O-N 3.33Å; S820-M822 VanDerWaalsContact C-N 3.33Å; S820-Q823 PolarHBondContact O-N 3.47Å; S820-T824 PolarHBondContact O-N 2.94Å; S820-T824 PolarHBondContact O-OG1 2.94Å; S820-R1072 PolarHBondContact OG-NH1 2.82Å
821	E	66.6	Low	77.5	Confident	155 Å²	155	45.9 Å²	45.9	72%	0.724	27%	0.265	S	S	*	.	H	α-helix	trans	-64.6	-39.8	174.7	-67.3	169.2	-170.4	0	0	110.9	P819 T824	P819-E821 PolarHBondContact O-N 3.04Å; P819-E821 VanDerWaalsContact O-N 3.11Å; E821-T824 PolarHBondContact O-N 3.49Å
822	M	68.3	Low	76.9	Confident	51 Å²	51	52 Å²	52	25%	0.251	31%	0.306	S	S	.	.	H	α-helix	trans	-71.2	-40.6	173.8	-54.1	168.9	178.6	0	0	111.1	F545 L818 P819 S820 T824 R825	F545-M822 HydrophobicContact CB-CE 4.49Å; F545-M822 HydrophobicContact CD1-CB 4.32Å; F545-M822 HydrophobicContact CD1-CE 3.75Å; F545-M822 HydrophobicContact CD1-CG 3.63Å; F545-M822 HydrophobicContact CD1-SD 3.62Å; F545-M822 HydrophobicContact CD2-CE 3.95Å; F545-M822 HydrophobicContact CE1-CB 4.3Å; F545-M822 HydrophobicContact CE1-CE 3.92Å; F545-M822 HydrophobicContact CE1-CG 3.85Å; F545-M822 HydrophobicContact CE1-SD 3.37Å; F545-M822 WeakPolarHBondContact CE1-SD 3.19Å; F545-M822 HydrophobicContact CE2-CE 4.08Å; F545-M822 HydrophobicContact CE2-SD 4.41Å; F545-M822 HydrophobicContact CG-CE 3.8Å; F545-M822 HydrophobicContact CG-CG 4.47Å; F545-M822 HydrophobicContact CG-SD 4.3Å; F545-M822 HydrophobicContact CZ-CE 4.09Å; F545-M822 HydrophobicContact CZ-SD 3.81Å; L818-M822 HydrophobicContact CD1-CB 4.45Å; L818-M822 HydrophobicContact CD1-SD 3.68Å; L818-M822 HydrophobicContact CD2-CB 3.76Å; L818-M822 HydrophobicContact CG-CB 3.91Å; L818-M822 HydrophobicContact CG-SD 3.96Å; P819-M822 HydrophobicContact CB-CE 4.37Å; P819-M822 HydrophobicContact CB-CG 4.34Å; P819-M822 HydrophobicContact CB-SD 4.06Å; P819-M822 HydrophobicContact CG-CE 4.04Å; P819-M822 HydrophobicContact CG-SD 3.89Å; P819-M822 WeakPolarHBondContact O-CB 3.29Å; P819-M822 PolarHBondContact O-N 2.64Å; S820-M822 VanDerWaalsContact C-N 3.33Å; M822-T824 PolarHBondContact O-N 3.31Å; M822-R825 PolarHBondContact O-N 3.28Å; M822-R825 VanDerWaalsContact O-N 3.15Å
823	Q	69.9	Low	76.4	Confident	53 Å²	53	55 Å²	55	25%	0.248	34%	0.339	C	S	.	.	H	α-helix	trans	-61.7	-25.9	174.4	-64.9	177.8	-22.8	0	0	112.4	Y815 L818 P819 S820 I826	Y815-Q823 PolarHBondContact O-NE2 3.26Å; L818-Q823 HydrophobicContact CB-CG 4.08Å; L818-Q823 HydrophobicContact CD2-CG 3.97Å; L818-Q823 HydrophobicContact CG-CG 4.36Å; L818-Q823 PolarHBondContact O-NE2 3.42Å; P819-Q823 PolarHBondContact O-N 2.89Å; P819-Q823 VanDerWaalsContact O-N 3.12Å; S820-Q823 PolarHBondContact O-N 3.47Å; Q823-I826 WeakPolarHBondContact O-CD1 3.45Å; Q823-I826 VanDerWaalsContact O-CG1 3.28Å; Q823-I826 WeakPolarHBondContact O-CG1 3.48Å
824	T	72.1	Confident	76.1	Confident	8 Å²	8	55.9 Å²	55.9	5%	0.049	35%	0.345	C	S	.	.	H	α-helix	trans	-74.7	-32.4	176.6	-53.9	0	0	0	0	112	A550 Y552 S820 E821 M822 I826 F827	A550-T824 HydrophobicContact CB-CG2 3.78Å; Y552-T824 HydrophobicContact CD1-CG2 4.44Å; Y552-T824 HydrophobicContact CE1-CG2 4.43Å; S820-T824 PolarHBondContact O-N 2.94Å; S820-T824 PolarHBondContact O-OG1 2.94Å; E821-T824 PolarHBondContact O-N 3.49Å; M822-T824 PolarHBondContact O-N 3.31Å; T824-I826 PolarHBondContact O-N 3.43Å; T824-F827 HydrophobicContact CG2-CD2 4.45Å; T824-F827 VanDerWaalsContact O-CD2 3.3Å; T824-F827 WeakPolarHBondContact O-CD2 3.18Å; T824-F827 PolarHBondContact O-N 3.49Å; T824-F827 VanDerWaalsContact O-N 3.12Å
825	R	76.9	Confident	76.3	Confident	59 Å²	59	56.6 Å²	56.6	22%	0.223	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-59.5	-20.4	-179.1	-68.6	-164.5	72.1	-177	5	114.5	H543 A544 G546 M822 F827 D828	H543-R825 PolarHBondContact O-NH1 3.2Å; A544-R825 WeakPolarHBondContact O-CD 3.45Å; A544-R825 PolarHBondContact O-NH1 2.76Å; G546-R825 PolarHBondContact O-NH1 3.37Å; M822-R825 PolarHBondContact O-N 3.28Å; M822-R825 VanDerWaalsContact O-N 3.15Å; R825-F827 PolarHBondContact O-N 3.09Å; R825-D828 WeakPolarHBondContact CA-OD2 3.4Å; R825-D828 WeakPolarHBondContact O-CB 3.5Å; R825-D828 PolarHBondContact O-N 3.02Å
826	I	82	Confident	76.6	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.015	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-69.3	-23.6	179.6	76.5	-166.9	0	0	0	112.8	L812 V814 Q823 T824 D828 K836 V838 I850	L812-I826 HydrophobicContact CB-CG2 4.31Å; L812-I826 HydrophobicContact CD1-CG2 4.23Å; V814-I826 HydrophobicContact CG2-CD1 4.06Å; V814-I826 HydrophobicContact CG2-CG2 3.67Å; Q823-I826 WeakPolarHBondContact O-CD1 3.45Å; Q823-I826 VanDerWaalsContact O-CG1 3.28Å; Q823-I826 WeakPolarHBondContact O-CG1 3.48Å; T824-I826 PolarHBondContact O-N 3.43Å; I826-D828 VanDerWaalsContact C-N 3.35Å; I826-K836 PolarHBondContact O-NZ 2.73Å; I826-V838 HydrophobicContact CG2-CG1 4.46Å; I826-I850 HydrophobicContact CB-CD1 4.38Å; I826-I850 HydrophobicContact CD1-CD1 3.79Å; I826-I850 HydrophobicContact CD1-CG1 4.14Å; I826-I850 HydrophobicContact CG1-CD1 4.06Å; I826-I850 HydrophobicContact CG1-CG1 4.15Å; I826-I850 WeakPolarHBondContact O-CG2 3.38Å
827	F	80.5	Confident	77.5	Confident	70 Å²	70	51.9 Å²	51.9	31%	0.307	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-81.7	-14.3	175.8	-54.8	-69.1	0	0	0	112.9	T824 R825 L848 T849	T824-F827 HydrophobicContact CG2-CD2 4.45Å; T824-F827 VanDerWaalsContact O-CD2 3.3Å; T824-F827 WeakPolarHBondContact O-CD2 3.18Å; T824-F827 PolarHBondContact O-N 3.49Å; T824-F827 VanDerWaalsContact O-N 3.12Å; R825-F827 PolarHBondContact O-N 3.09Å; F827-L848 HydrophobicContact CE1-CD2 3.74Å; F827-L848 HydrophobicContact CZ-CD2 3.39Å; F827-T849 WeakPolarHBondContact CE1-O 3.4Å
828	D	81.2	Confident	78.5	Confident	65 Å²	65	48.6 Å²	48.6	35%	0.348	29%	0.289	S	S	.	.	S	Bend	trans	-65.9	137	175.5	-63.8	-34.6	0	0	0	109.4	R825 I826 K836	R825-D828 WeakPolarHBondContact CA-OD2 3.4Å; R825-D828 WeakPolarHBondContact O-CB 3.5Å; R825-D828 PolarHBondContact O-N 3.02Å; I826-D828 VanDerWaalsContact C-N 3.35Å; D828-K836 PolarHBondContact O-NZ 3.05Å
829	P	79.9	Confident	79.6	Confident	95 Å²	95	48.2 Å²	48.2	62%	0.617	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-70.1	145.8	175.2	30.2	-34.2	0	0	0	110.5
830	A	81.1	Confident	80.8	Confident	30 Å²	30	45.1 Å²	45.1	25%	0.248	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-63.6	138.3	172.5	0	0	0	0	0	110.8	K836	A830-K836 HydrophobicContact CB-CB 4.28Å
831	P	81.7	Confident	82.1	Confident	70 Å²	70	44.3 Å²	44.3	46%	0.455	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-52.2	144.4	167.7	-28.1	34.8	0	0	0	112.7	I810 G833 S834	I810-P831 HydrophobicContact CD1-CG 4.13Å; P831-G833 PolarHBondContact O-N 3.46Å; P831-S834 VanDerWaalsContact CD-OG 3.3Å; P831-S834 WeakPolarHBondContact CD-OG 3.3Å; P831-S834 PolarHBondContact O-N 3.17Å; P831-S834 PolarHBondContact O-OG 3.09Å
832	P	77.2	Confident	83.1	Confident	141 Å²	141	40 Å²	40	92%	0.916	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	126.6	179.3	-25.6	34.6	0	0	0	112.3
833	G	79.9	Confident	83.8	Confident	73 Å²	73	38.7 Å²	38.7	75%	0.753	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.1	-5.1	-177.4	0	0	0	0	0	115.5	P831	P831-G833 PolarHBondContact O-N 3.46Å
834	S	84.6	Confident	84.4	Confident	22 Å²	22	36.3 Å²	36.3	15%	0.154	23%	0.226	C	C	.	.			trans	-103.1	163.7	171.7	71.7	0	0	0	0	111.9	E808 P831	E808-S834 WeakPolarHBondContact O-CA 3.38Å; E808-S834 WeakPolarHBondContact O-CB 3.33Å; P831-S834 VanDerWaalsContact CD-OG 3.3Å; P831-S834 WeakPolarHBondContact CD-OG 3.3Å; P831-S834 PolarHBondContact O-N 3.17Å; P831-S834 PolarHBondContact O-OG 3.09Å
835	R	89.6	Confident	84.8	Confident	17 Å²	17	36.3 Å²	36.3	6%	0.064	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.5	174.4	-163.9	-170.6	-60.9	-110.1	13.5	109.9	I769 H770 E773 P774 G776 E808 L809 I810	I769-R835 PolarHBondContact O-NH2 3.05Å; H770-R835 WeakPolarHBondContact CE1-CB 3.21Å; H770-R835 WeakPolarHBondContact CE1-CD 3.38Å; H770-R835 WeakPolarHBondContact CE1-CG 3.21Å; H770-R835 PolarHBondContact CE1-NE 3.3Å; H770-R835 WeakPolarHBondContact ND1-CD 3.16Å; H770-R835 PolarHBondContact ND1-NE 3.33Å; H770-R835 VanDerWaalsContact ND1-NE 3.14Å; H770-R835 WeakPolarHBondContact NE2-CB 3.41Å; H770-R835 PolarHBondContact O-NH2 3.38Å; E773-R835 PolarHBondContact O-NH2 3.04Å; P774-R835 PolarHBondContact O-NH1 3.12Å; P774-R835 PolarHBondContact O-NH2 3.25Å; G776-R835 WeakPolarHBondContact O-CD 3.28Å; G776-R835 VanDerWaalsContact O-CG 3.27Å; G776-R835 WeakPolarHBondContact O-CG 3.16Å; G776-R835 PolarHBondContact O-NH1 2.97Å; E808-R835 PolarHBondContact O-N 2.7Å; L809-R835 WeakPolarHBondContact CA-O 3.44Å; L809-R835 HydrophobicContact CD1-CB 4.17Å; I810-R835 PolarHBondContact N-O 2.96Å
836	K	91.1	Very high	84.3	Confident	6 Å²	6	33.7 Å²	33.7	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	136.4	174.2	173.4	-179.6	54	178.9	0	110.4	D777 V778 I810 L812 I826 D828 A830 V838	D777-K836 WeakPolarHBondContact CA-O 3.38Å; D777-K836 HydrophobicContact CB-CB 4.31Å; D777-K836 WeakPolarHBondContact CB-O 3.42Å; D777-K836 WeakPolarHBondContact OD1-CB 3.21Å; D777-K836 PolarHBondContact OD1-N 3.2Å; D777-K836 WeakPolarHBondContact OD2-CE 3.36Å; D777-K836 IonicContact OD2-NZ 3.68Å; V778-K836 PolarHBondContact N-O 3.49Å; I810-K836 WeakPolarHBondContact O-CA 3.4Å; L812-K836 HydrophobicContact CD1-CD 3.8Å; L812-K836 HydrophobicContact CD1-CG 4.06Å; I826-K836 PolarHBondContact O-NZ 2.73Å; D828-K836 PolarHBondContact O-NZ 3.05Å; A830-K836 HydrophobicContact CB-CB 4.28Å; K836-V838 HydrophobicContact CD-CG2 4.13Å; K836-V838 HydrophobicContact CG-CG2 3.99Å
837	V	92.7	Very high	83.3	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	112.8	171.5	177.1	0	0	0	0	108.1	V766 V778 V780 L795 L809 I810 L812 I839	V766-V837 HydrophobicContact CG1-CG1 4.07Å; V766-V837 HydrophobicContact CG1-CG2 3.9Å; V778-V837 HydrophobicContact CB-CG2 4.15Å; V778-V837 HydrophobicContact CG2-CG2 4.19Å; V778-V837 WeakPolarHBondContact O-CA 3.27Å; V780-V837 HydrophobicContact CG2-CG1 4.01Å; L795-V837 HydrophobicContact CD2-CG1 4.14Å; L809-V837 HydrophobicContact CD1-CG2 3.37Å; L809-V837 HydrophobicContact CD2-CG2 4.09Å; L809-V837 HydrophobicContact CG-CG2 3.8Å; I810-V837 PolarHBondContact O-N 3.43Å; L812-V837 PolarHBondContact N-O 2.85Å; V837-I839 HydrophobicContact CG1-CD1 4.37Å; V837-I839 HydrophobicContact CG1-CG1 3.85Å
838	V	92.8	Very high	82.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	115.2	175	-173	0	0	0	0	108.3	V778 L779 V780 L812 V814 I826 K836 A840 I850	V778-V838 PolarHBondContact O-N 2.91Å; L779-V838 WeakPolarHBondContact CA-O 3.39Å; L779-V838 HydrophobicContact CD1-CB 4Å; L779-V838 HydrophobicContact CD1-CG1 4.02Å; V780-V838 PolarHBondContact N-O 2.94Å; L812-V838 WeakPolarHBondContact O-CA 3.22Å; V814-V838 HydrophobicContact CG2-CG1 3.52Å; I826-V838 HydrophobicContact CG2-CG1 4.46Å; K836-V838 HydrophobicContact CD-CG2 4.13Å; K836-V838 HydrophobicContact CG-CG2 3.99Å; V838-A840 HydrophobicContact CG1-CB 4.4Å; V838-I850 HydrophobicContact CG1-CD1 4Å; V838-I850 HydrophobicContact CG2-CD1 4.41Å
839	I	93.6	Very high	82.3	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	106.8	177.8	-48.9	-171	0	0	0	108.3	V780 L782 I788 A791 L795 I811 L812 P813 V814 V837	V780-I839 HydrophobicContact CB-CG1 4.43Å; V780-I839 HydrophobicContact CB-CG2 4.29Å; V780-I839 HydrophobicContact CG2-CG1 4.42Å; L782-I839 HydrophobicContact CD1-CG2 3.47Å; L782-I839 VanDerWaalsContact CD1-CG2 3.47Å; L782-I839 HydrophobicContact CG-CG2 3.96Å; I788-I839 HydrophobicContact CB-CG2 4.45Å; I788-I839 HydrophobicContact CG1-CG2 4.07Å; I788-I839 HydrophobicContact CG2-CB 4.29Å; I788-I839 HydrophobicContact CG2-CG2 4.12Å; A791-I839 HydrophobicContact CB-CD1 4.12Å; A791-I839 HydrophobicContact CB-CG2 4.43Å; L795-I839 HydrophobicContact CD2-CD1 4.04Å; I811-I839 HydrophobicContact CG2-CD1 4.16Å; L812-I839 PolarHBondContact O-N 2.82Å; P813-I839 CarbonylContact C-O 3.32Å; P813-I839 WeakPolarHBondContact CA-O 3.38Å; V814-I839 PolarHBondContact N-O 3.13Å; V837-I839 HydrophobicContact CG1-CD1 4.37Å; V837-I839 HydrophobicContact CG1-CG1 3.85Å
840	A	92	Very high	82.3	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.8	-163	0	0	0	0	0	114	L779 V780 F781 L782 V814 V838 A844	L779-A840 HydrophobicContact CD1-CB 3.81Å; V780-A840 PolarHBondContact O-N 3.37Å; F781-A840 CarbonylContact C-O 3.58Å; F781-A840 WeakPolarHBondContact CA-O 3.3Å; L782-A840 PolarHBondContact N-O 3.45Å; V814-A840 HydrophobicContact CB-CB 3.93Å; V814-A840 WeakPolarHBondContact O-CA 3.43Å; V838-A840 HydrophobicContact CG1-CB 4.4Å; A840-A844 HydrophobicContact CB-CB 3.82Å
841	T	91.4	Very high	82.1	Confident	11 Å²	11	33 Å²	33	7%	0.067	21%	0.212	C	C	.	.			trans	-82.6	-179.5	162.7	47	0	0	0	0	111.5	L782 I788 V814 I843 A844	L782-T841 WeakPolarHBondContact O-CA 3.45Å; I788-T841 HydrophobicContact CD1-CG2 3.65Å; V814-T841 PolarHBondContact O-N 2.95Å; V814-T841 PolarHBondContact O-OG1 3.3Å; V814-T841 VanDerWaalsContact O-OG1 3.13Å; T841-I843 PolarHBondContact O-N 2.96Å; T841-I843 WeakPolarHBondContact OG1-CD1 3.08Å; T841-I843 WeakPolarHBondContact OG1-CG1 3.21Å; T841-A844 PolarHBondContact O-N 2.93Å; T841-A844 VanDerWaalsContact O-N 3.07Å
842	N	86.6	Confident	82.3	Confident	64 Å²	64	30.5 Å²	30.5	34%	0.342	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-53.4	-8.5	171.9	68.1	-22.2	0	0	0	115.1	A844 E845 V862	N842-A844 PolarHBondContact O-N 3.37Å; N842-E845 HydrophobicContact CB-CB 4.4Å; N842-E845 WeakPolarHBondContact O-CB 3.38Å; N842-E845 PolarHBondContact O-N 2.63Å; N842-V862 HydrophobicContact CB-CG2 4.23Å
843	I	82.7	Confident	82.9	Confident	25 Å²	25	24 Å²	24	13%	0.128	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-48.4	-41.4	165	-68.3	172.1	0	0	0	112	R621 V814 Y815 S816 T841 E845 L848	R621-I843 PolarHBondContact NH1-O 3.05Å; V814-I843 HydrophobicContact CG1-CG2 4.06Å; Y815-I843 VanDerWaalsContact C-CD1 3.4Å; S816-I843 WeakPolarHBondContact OG-CD1 3.27Å; T841-I843 PolarHBondContact O-N 2.96Å; T841-I843 WeakPolarHBondContact OG1-CD1 3.08Å; T841-I843 WeakPolarHBondContact OG1-CG1 3.21Å; I843-E845 VanDerWaalsContact C-N 3.29Å; I843-E845 PolarHBondContact O-N 2.9Å; I843-L848 HydrophobicContact CG2-CD1 3.35Å
844	A	83.5	Confident	83.5	Confident	3 Å²	3	23.9 Å²	23.9	3%	0.025	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-76.6	-10.8	179.3	0	0	0	0	0	114.3	L779 F781 A840 T841 N842 R892	L779-A844 HydrophobicContact CD1-CB 4.08Å; L779-A844 HydrophobicContact CD2-CB 4.15Å; F781-A844 HydrophobicContact CE1-CB 3.98Å; F781-A844 HydrophobicContact CZ-CB 4.33Å; A840-A844 HydrophobicContact CB-CB 3.82Å; T841-A844 PolarHBondContact O-N 2.93Å; T841-A844 VanDerWaalsContact O-N 3.07Å; N842-A844 PolarHBondContact O-N 3.37Å; A844-R892 VanDerWaalsContact O-CD 3.32Å; A844-R892 WeakPolarHBondContact O-CD 3.3Å; A844-R892 PolarHBondContact O-NH1 2.99Å
845	E	80.4	Confident	84	Confident	8 Å²	8	23.5 Å²	23.5	4%	0.037	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-33.2	-166.2	-165.7	171	101.3	0	0	114.4	F781 N842 I843 Q885 Q888 R889 R892	F781-E845 HydrophobicContact CE1-CB 4.27Å; N842-E845 HydrophobicContact CB-CB 4.4Å; N842-E845 WeakPolarHBondContact O-CB 3.38Å; N842-E845 PolarHBondContact O-N 2.63Å; I843-E845 VanDerWaalsContact C-N 3.29Å; I843-E845 PolarHBondContact O-N 2.9Å; E845-Q885 WeakPolarHBondContact OE1-CG 3.34Å; E845-Q885 PolarHBondContact OE1-NE2 3.28Å; E845-Q888 HydrophobicContact CG-CB 4.45Å; E845-R889 HydrophobicContact CG-CG 3.98Å; E845-R889 IonicContact OE2-CZ 2.62Å; E845-R889 VanDerWaalsContact OE2-CZ 3.26Å; E845-R889 IonicContact OE2-NE 2.67Å; E845-R889 PolarHBondContact OE2-NE 2.84Å; E845-R889 IonicContact OE2-NH2 3.65Å; E845-R889 PolarHBondContact OE2-NH2 3.11Å; E845-R892 VanDerWaalsContact C-CZ 3.42Å; E845-R892 PolarHBondContact O-NE 3.03Å; E845-R892 PolarHBondContact O-NH1 2.97Å; E845-R892 PolarHBondContact O-NH2 2.97Å
846	T	66.9	Low	84.3	Confident	4 Å²	4	22.7 Å²	22.7	3%	0.025	13%	0.126	C	C	.	.	S	Bend	trans	-124.4	-72.8	-177.8	52.7	0	0	0	0	111.6	R621 E691 L848 R892	R621-T846 PolarHBondContact NH1-OG1 2.95Å; R621-T846 PolarHBondContact NH2-OG1 3.36Å; E691-T846 WeakPolarHBondContact OE1-CB 3.36Å; E691-T846 WeakPolarHBondContact OE1-CG2 3.32Å; E691-T846 PolarHBondContact OE1-OG1 2.66Å; T846-L848 PolarHBondContact O-N 3.47Å; T846-R892 PolarHBondContact O-NH1 2.82Å; T846-R892 PolarHBondContact O-NH2 3.35Å
847	S	60.8	Low	84.5	Confident	48 Å²	48	22.4 Å²	22.4	34%	0.336	13%	0.125	S	C	.	.	S	Bend	trans	-83.8	2.4	-161.2	-27	0	0	0	0	117.2	R621	R621-S847 VanDerWaalsContact CD-OG 3.23Å; R621-S847 WeakPolarHBondContact CD-OG 3.45Å; R621-S847 PolarHBondContact NE-OG 3.03Å; R621-S847 PolarHBondContact NH1-OG 3.14Å
848	L	68.9	Low	84.6	Confident	40 Å²	40	22.4 Å²	22.4	21%	0.209	13%	0.125	C	C	.	.			trans	-114.4	125.8	-178.1	-94	157.6	0	0	0	112.5	F827 I843 T846 R892 R895	F827-L848 HydrophobicContact CE1-CD2 3.74Å; F827-L848 HydrophobicContact CZ-CD2 3.39Å; I843-L848 HydrophobicContact CG2-CD1 3.35Å; T846-L848 PolarHBondContact O-N 3.47Å; L848-R892 PolarHBondContact O-NH1 3.23Å; L848-R895 PolarHBondContact O-NH1 3.17Å
849	T	71.2	Confident	84.6	Confident	74 Å²	74	22.4 Å²	22.4	45%	0.454	13%	0.125	S	C	.	.			trans	-104.5	103.1	171.2	47.4	0	0	0	0	109.4	F827	F827-T849 WeakPolarHBondContact CE1-O 3.4Å
850	I	80.1	Confident	84.5	Confident	8 Å²	8	22.4 Å²	22.4	4%	0.041	13%	0.125	C	C	.	.			trans	-100.4	114.3	171.6	-56.9	174	0	0	0	106.5	I826 V838 I853	I826-I850 HydrophobicContact CB-CD1 4.38Å; I826-I850 HydrophobicContact CD1-CD1 3.79Å; I826-I850 HydrophobicContact CD1-CG1 4.14Å; I826-I850 HydrophobicContact CG1-CD1 4.06Å; I826-I850 HydrophobicContact CG1-CG1 4.15Å; I826-I850 WeakPolarHBondContact O-CG2 3.38Å; V838-I850 HydrophobicContact CG1-CD1 4Å; V838-I850 HydrophobicContact CG2-CD1 4.41Å; I850-I853 HydrophobicContact CB-CD1 3.7Å; I850-I853 HydrophobicContact CB-CG1 4.31Å; I850-I853 HydrophobicContact CD1-CD1 4.42Å; I850-I853 HydrophobicContact CG2-CD1 4.06Å; I850-I853 HydrophobicContact CG2-CG1 4.17Å
851	D	77.5	Confident	84.5	Confident	77 Å²	77	22.6 Å²	22.6	41%	0.412	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	146.1	174.6	-69.3	7	0	0	0	110.6	K554	K554-D851 WeakPolarHBondContact CE-OD2 3.35Å; K554-D851 IonicContact NZ-OD2 2.65Å; K554-D851 PolarHBondContact NZ-OD2 2.73Å
852	G	84.8	Confident	84.5	Confident	19 Å²	19	22.3 Å²	22.3	20%	0.196	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	-2.1	170.1	0	0	0	0	0	115.6	D777 Y854 T896	D777-G852 VanDerWaalsContact CB-O 3.27Å; D777-G852 WeakPolarHBondContact CB-O 3.48Å; D777-G852 PolarHBondContact N-O 2.6Å; G852-Y854 VanDerWaalsContact O-CD2 3.32Å; G852-Y854 WeakPolarHBondContact O-CD2 3.45Å; G852-Y854 PolarHBondContact O-N 3.09Å; G852-T896 PolarHBondContact N-OG1 3.35Å; G852-T896 VanDerWaalsContact N-OG1 3.16Å
853	I	90.3	Very high	84.5	Confident	4 Å²	4	23 Å²	23	2%	0.021	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	127.6	169.4	-59.8	166.6	0	0	0	109.3	D777 L779 I850 Y855 V856	D777-I853 WeakPolarHBondContact O-CA 3.43Å; L779-I853 HydrophobicContact CB-CD1 3.83Å; L779-I853 HydrophobicContact CB-CG1 4.29Å; L779-I853 HydrophobicContact CB-CG2 4.01Å; L779-I853 HydrophobicContact CD2-CD1 3.89Å; L779-I853 HydrophobicContact CG-CD1 4.3Å; I850-I853 HydrophobicContact CB-CD1 3.7Å; I850-I853 HydrophobicContact CB-CG1 4.31Å; I850-I853 HydrophobicContact CD1-CD1 4.42Å; I850-I853 HydrophobicContact CG2-CD1 4.06Å; I850-I853 HydrophobicContact CG2-CG1 4.17Å; I853-Y855 WeakPolarHBondContact CG2-O 3.49Å; I853-V856 HydrophobicContact CG2-CG2 4.19Å
854	Y	92.1	Very high	84.6	Confident	71 Å²	71	23.1 Å²	23.1	28%	0.278	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	-21.6	168.8	-77.9	-103.3	0	0	0	112.1	D777 G852 T896 P898 G899 K900	D777-Y854 PolarHBondContact O-N 3.05Å; G852-Y854 VanDerWaalsContact O-CD2 3.32Å; G852-Y854 WeakPolarHBondContact O-CD2 3.45Å; G852-Y854 PolarHBondContact O-N 3.09Å; Y854-T896 HydrophobicContact CE2-CG2 4.16Å; Y854-P898 VanDerWaalsContact CD1-O 3.26Å; Y854-P898 WeakPolarHBondContact CD1-O 3.38Å; Y854-G899 CarbonylContact O-C 3.53Å; Y854-G899 WeakPolarHBondContact O-CA 3.18Å; Y854-K900 PolarHBondContact O-N 3.12Å
855	Y	94.8	Very high	84.5	Confident	13 Å²	13	27.8 Å²	27.8	5%	0.051	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.8	-174.7	-56.2	-80.5	0	0	0	110.5	I769 E773 P774 G776 D777 V778 L779 I853 K900 Y902	I769-Y855 HydrophobicContact CG2-CD1 3.86Å; I769-Y855 HydrophobicContact CG2-CD2 3.95Å; I769-Y855 HydrophobicContact CG2-CE1 4.38Å; I769-Y855 HydrophobicContact CG2-CE2 4.48Å; I769-Y855 HydrophobicContact CG2-CG 3.62Å; E773-Y855 HydrophobicContact CB-CE1 3.71Å; E773-Y855 HydrophobicContact CG-CE1 3.98Å; P774-Y855 WeakPolarHBondContact CD-OH 3.45Å; P774-Y855 WeakPolarHBondContact O-CE2 3.47Å; P774-Y855 PolarHBondContact O-OH 2.87Å; P774-Y855 VanDerWaalsContact O-OH 3.06Å; G776-Y855 WeakPolarHBondContact O-CD2 3.5Å; D777-Y855 PolarHBondContact O-N 2.94Å; D777-Y855 VanDerWaalsContact O-N 3.13Å; V778-Y855 CarbonylContact C-O 3.59Å; V778-Y855 WeakPolarHBondContact CA-O 3.4Å; L779-Y855 PolarHBondContact N-O 2.91Å; I853-Y855 WeakPolarHBondContact CG2-O 3.49Å; Y855-K900 WeakPolarHBondContact CA-O 3.49Å; Y855-K900 HydrophobicContact CD1-CB 4.11Å; Y855-K900 HydrophobicContact CE1-CB 4.42Å; Y855-K900 HydrophobicContact CE1-CD 4.23Å; Y855-K900 HydrophobicContact CE1-CG 4.42Å; Y855-Y902 HydrophobicContact CD1-CE2 4.15Å
856	V	95.3	Very high	84.7	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133	174.4	172.3	0	0	0	0	109.7	L779 F781 I853 R892 A893 K900 T901 Y902	L779-V856 HydrophobicContact CB-CG2 4.39Å; L779-V856 CarbonylContact O-C 3.56Å; L779-V856 WeakPolarHBondContact O-CA 3.34Å; F781-V856 HydrophobicContact CD2-CG1 4.02Å; F781-V856 HydrophobicContact CE2-CG1 3.82Å; I853-V856 HydrophobicContact CG2-CG2 4.19Å; V856-R892 HydrophobicContact CG2-CB 3.95Å; V856-A893 HydrophobicContact CG2-CB 3.92Å; V856-K900 PolarHBondContact N-O 3.09Å; V856-T901 HydrophobicContact CB-CG2 4.13Å; V856-T901 HydrophobicContact CG1-CG2 4.02Å; V856-T901 CarbonylContact O-C 3.53Å; V856-T901 WeakPolarHBondContact O-CA 3.42Å; V856-Y902 PolarHBondContact O-N 3.05Å
857	V	95.8	Very high	85.4	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.8	170.4	-177.6	0	0	0	0	108.1	T765 V766 I769 V778 L779 V780 F781 L904	T765-V857 HydrophobicContact CG2-CG1 4.24Å; T765-V857 HydrophobicContact CG2-CG2 3.87Å; V766-V857 HydrophobicContact CG2-CG2 4.18Å; I769-V857 HydrophobicContact CD1-CG2 3.71Å; V778-V857 HydrophobicContact CG1-CG2 4.13Å; L779-V857 PolarHBondContact O-N 3.35Å; V780-V857 HydrophobicContact CG1-CB 4.33Å; V780-V857 HydrophobicContact CG1-CG1 4.49Å; V780-V857 HydrophobicContact CG2-CB 4.43Å; F781-V857 PolarHBondContact N-O 3.27Å; V857-L904 HydrophobicContact CG1-CD1 4.11Å; V857-L904 HydrophobicContact CG1-CG 4.4Å
858	D	95.2	Very high	86.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	107.5	-176.8	177.9	35.3	0	0	0	110.7	G860 I881 R889 Y902 R903 L904 Y905	D858-G860 PolarHBondContact O-N 3.16Å; D858-G860 PolarHBondContact OD1-N 2.97Å; D858-G860 VanDerWaalsContact OD1-N 3.07Å; D858-I881 WeakPolarHBondContact OD2-CD1 3.26Å; D858-R889 WeakPolarHBondContact OD1-CD 3.49Å; D858-R889 IonicContact OD1-CZ 2.77Å; D858-R889 IonicContact OD1-NE 3.26Å; D858-R889 IonicContact OD1-NH1 2.63Å; D858-R889 PolarHBondContact OD1-NH1 2.89Å; D858-Y902 PolarHBondContact N-O 2.83Å; D858-R903 WeakPolarHBondContact O-CA 3.27Å; D858-L904 PolarHBondContact O-N 3.12Å; D858-Y905 VanDerWaalsContact O-CE1 3.32Å; D858-Y905 WeakPolarHBondContact O-CE1 3.41Å; D858-Y905 PolarHBondContact OD2-OH 3.15Å
859	P	93	Very high	86.5	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.006	14%	0.144	C	C	.	.			trans	-77.4	-3.4	173.6	31.8	-34.7	0	0	0	113.5	Y758 F781 F861 L904	Y758-P859 HydrophobicContact CD2-CB 3.57Å; Y758-P859 HydrophobicContact CD2-CG 3.96Å; Y758-P859 HydrophobicContact CE2-CB 4.46Å; Y758-P859 HydrophobicContact CE2-CG 4.45Å; Y758-P859 HydrophobicContact CG-CB 3.91Å; F781-P859 WeakPolarHBondContact O-CD 3.49Å; F781-P859 WeakPolarHBondContact O-CG 2.5Å; P859-F861 HydrophobicContact CB-CD2 4.26Å; P859-F861 WeakPolarHBondContact O-CD2 3.47Å; P859-F861 VanDerWaalsContact O-CE2 3.27Å; P859-F861 WeakPolarHBondContact O-CE2 3.34Å; P859-L904 HydrophobicContact CB-CD1 4.27Å
860	G	92.4	Very high	86.5	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	84	11.5	173.8	0	0	0	0	0	115.4	D858 P880 I881	D858-G860 PolarHBondContact O-N 3.16Å; D858-G860 PolarHBondContact OD1-N 2.97Å; D858-G860 VanDerWaalsContact OD1-N 3.07Å; G860-P880 CarbonylContact O-C 3.52Å; G860-P880 WeakPolarHBondContact O-CA 3.38Å; G860-I881 WeakPolarHBondContact O-CG1 3.4Å; G860-I881 PolarHBondContact O-N 2.88Å
861	F	92	Very high	86.1	Confident	5 Å²	5	30 Å²	30	2%	0.022	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	160.8	-177.3	-63.1	-70.3	0	0	0	114.3	L474 A477 A478 Y758 T783 P859 V878 P880 R889	L474-F861 HydrophobicContact CB-CE1 4.28Å; L474-F861 HydrophobicContact CB-CZ 4.33Å; L474-F861 HydrophobicContact CD2-CZ 4.06Å; L474-F861 VanDerWaalsContact O-CE1 3.24Å; L474-F861 WeakPolarHBondContact O-CE1 3.44Å; L474-F861 WeakPolarHBondContact O-CZ 3.37Å; A477-F861 HydrophobicContact CB-CZ 4.09Å; A478-F861 HydrophobicContact CB-CD1 4.25Å; A478-F861 HydrophobicContact CB-CE1 3.89Å; Y758-F861 AromaticContact CD1-CD2 3.49Å; Y758-F861 HydrophobicContact CD1-CD2 3.49Å; Y758-F861 VanDerWaalsContact CD1-CD2 3.49Å; Y758-F861 AromaticContact CD1-CE2 3.41Å; Y758-F861 HydrophobicContact CD1-CE2 3.41Å; Y758-F861 VanDerWaalsContact CD1-CE2 3.41Å; Y758-F861 HydrophobicContact CD1-CZ 4.38Å; Y758-F861 HydrophobicContact CD2-CD2 4.19Å; Y758-F861 AromaticContact CE1-CD2 3.58Å; Y758-F861 HydrophobicContact CE1-CD2 3.58Å; Y758-F861 AromaticContact CE1-CE2 3.84Å; Y758-F861 HydrophobicContact CE1-CE2 3.84Å; Y758-F861 HydrophobicContact CE1-CG 4.21Å; Y758-F861 HydrophobicContact CE2-CD2 4.3Å; Y758-F861 AromaticContact CG-CD2 3.81Å; Y758-F861 HydrophobicContact CG-CD2 3.81Å; Y758-F861 AromaticContact CG-CE2 3.9Å; Y758-F861 HydrophobicContact CG-CE2 3.9Å; Y758-F861 AromaticContact CZ-CD2 4Å; T783-F861 HydrophobicContact CG2-CB 3.57Å; P859-F861 HydrophobicContact CB-CD2 4.26Å; P859-F861 WeakPolarHBondContact O-CD2 3.47Å; P859-F861 VanDerWaalsContact O-CE2 3.27Å; P859-F861 WeakPolarHBondContact O-CE2 3.34Å; F861-V878 HydrophobicContact CB-CG1 4.23Å; F861-V878 HydrophobicContact CD1-CG1 4.12Å; F861-V878 HydrophobicContact CG-CG1 4.37Å; F861-P880 HydrophobicContact CE1-CG 4.32Å; F861-R889 PolarHBondContact O-NH1 3.23Å; F861-R889 PolarHBondContact O-NH2 3.1Å; F861-R889 VanDerWaalsContact O-NH2 3.09Å
862	V	90.6	Very high	85.8	Confident	5 Å²	5	28.1 Å²	28.1	3%	0.03	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	148.7	174.9	58.3	0	0	0	0	109.6	N842 Q864 T879 I881	N842-V862 HydrophobicContact CB-CG2 4.23Å; V862-Q864 HydrophobicContact CG1-CG 3.92Å; V862-Q864 HydrophobicContact CG2-CG 4.37Å; V862-T879 PolarHBondContact N-O 2.68Å; V862-T879 PolarHBondContact O-N 2.91Å; V862-T879 PolarHBondContact O-OG1 3.26Å; V862-I881 HydrophobicContact CB-CG2 3.93Å; V862-I881 HydrophobicContact CG1-CG2 3.67Å
863	K	87.4	Confident	85.4	Confident	78 Å²	78	27.6 Å²	27.6	34%	0.339	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124	167.8	-84.5	168.3	179	158.7	0	109.8	T783 E787 V877 V878	T783-K863 WeakPolarHBondContact OG1-CD 3.34Å; T783-K863 WeakPolarHBondContact OG1-CE 3.36Å; T783-K863 PolarHBondContact OG1-NZ 2.6Å; E787-K863 IonicContact OE1-NZ 2.71Å; E787-K863 PolarHBondContact OE1-NZ 3.47Å; K863-V877 WeakPolarHBondContact CA-O 3.38Å; K863-V878 HydrophobicContact CD-CG2 4.25Å; K863-V878 HydrophobicContact CG-CG2 3.76Å
864	Q	83.3	Confident	84.8	Confident	27 Å²	27	30 Å²	30	13%	0.126	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.8	-178.4	-67.3	-179.3	-1.5	0	0	110.7	V862 L876 V877 T879	V862-Q864 HydrophobicContact CG1-CG 3.92Å; V862-Q864 HydrophobicContact CG2-CG 4.37Å; Q864-L876 WeakPolarHBondContact O-CA 3.49Å; Q864-V877 PolarHBondContact N-O 3.5Å; Q864-V877 PolarHBondContact O-N 2.96Å; Q864-T879 HydrophobicContact CB-CG2 4.44Å; Q864-T879 WeakPolarHBondContact CG-OG1 3.41Å; Q864-T879 PolarHBondContact OE1-OG1 3.04Å
865	K	82.4	Confident	84.1	Confident	102 Å²	102	28.9 Å²	28.9	44%	0.443	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	132	171.2	-164.7	-177.2	-179.1	-160.4	0	108.6	D874 Q875 L876	K865-D874 WeakPolarHBondContact CE-OD1 3.44Å; K865-D874 WeakPolarHBondContact CE-OD2 3.33Å; K865-D874 IonicContact NZ-OD1 3.71Å; K865-D874 PolarHBondContact NZ-OD1 2.93Å; K865-D874 IonicContact NZ-OD2 2.71Å; K865-D874 PolarHBondContact NZ-OD2 2.98Å; K865-Q875 CarbonylContact C-O 3.55Å; K865-Q875 WeakPolarHBondContact CA-O 3.37Å; K865-L876 HydrophobicContact CB-CD2 4.13Å
866	V	84.1	Confident	83.5	Confident	29 Å²	29	34.4 Å²	34.4	18%	0.176	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	112.6	-175.8	-179.1	0	0	0	0	108.6	I466 Q875 V877	I466-V866 HydrophobicContact CD1-CB 4.12Å; I466-V866 HydrophobicContact CD1-CG1 3.51Å; I466-V866 HydrophobicContact CD1-CG2 3.56Å; V866-Q875 PolarHBondContact N-O 3.41Å; V866-Q875 PolarHBondContact O-N 2.75Å; V866-V877 HydrophobicContact CB-CG2 4.42Å; V866-V877 HydrophobicContact CG2-CB 4.3Å; V866-V877 HydrophobicContact CG2-CG2 4.2Å
867	Y	82.4	Confident	82.9	Confident	21 Å²	21	37.1 Å²	37.1	8%	0.082	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.2	172.3	-179	-113.8	0	0	0	110.6	G872 D874 R924 N926 T955	Y867-G872 WeakPolarHBondContact CE2-O 3.19Å; Y867-D874 WeakPolarHBondContact CB-OD1 3.46Å; Y867-R924 PolarHBondContact N-O 2.99Å; Y867-N926 HydrophobicContact CD1-CB 4.25Å; Y867-N926 HydrophobicContact CD2-CB 3.83Å; Y867-N926 HydrophobicContact CE1-CB 4.19Å; Y867-N926 HydrophobicContact CE2-CB 3.77Å; Y867-N926 HydrophobicContact CG-CB 4.07Å; Y867-T955 HydrophobicContact CD1-CG2 3.95Å; Y867-T955 HydrophobicContact CE1-CG2 4.07Å
868	N	78.8	Confident	82.5	Confident	48 Å²	48	38.1 Å²	38.1	26%	0.257	20%	0.202	S	C	.	.			trans	-96.4	109.2	168.7	-177.2	-9.2	0	0	0	109.3	K870 T871 G872 I873	N868-K870 PolarHBondContact O-N 3.1Å; N868-K870 PolarHBondContact OD1-N 2.97Å; N868-T871 PolarHBondContact O-N 3.11Å; N868-G872 WeakPolarHBondContact O-CA 3.33Å; N868-G872 PolarHBondContact O-N 2.67Å; N868-I873 PolarHBondContact N-O 2.87Å
869	S	73	Confident	82.1	Confident	13 Å²	13	38.4 Å²	38.4	9%	0.091	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.6	-178.8	30.4	0	0	0	0	114.7	E954	S869-E954 VanDerWaalsContact CB-OE1 3.3Å; S869-E954 WeakPolarHBondContact CB-OE1 3.42Å; S869-E954 VanDerWaalsContact OG-CD 3.23Å; S869-E954 PolarHBondContact OG-OE1 2.77Å
870	K	72.3	Confident	82	Confident	79 Å²	79	39.2 Å²	39.2	34%	0.343	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-35.9	178.1	-55.6	-163	179.1	-176.3	0	113.2	M459 M461 N868 E954	M459-K870 PolarHBondContact O-NZ 2.98Å; M461-K870 PolarHBondContact O-NZ 2.98Å; N868-K870 PolarHBondContact O-N 3.1Å; N868-K870 PolarHBondContact OD1-N 2.97Å; K870-E954 WeakPolarHBondContact CE-OE1 3.31Å; K870-E954 WeakPolarHBondContact CE-OE2 3.46Å; K870-E954 WeakPolarHBondContact CG-OE1 3.35Å
871	T	71.2	Confident	82	Confident	38 Å²	38	39.4 Å²	39.4	23%	0.233	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-11.1	177.2	66.9	0	0	0	0	113.6	N868 I873 D1131 Q1133	N868-T871 PolarHBondContact O-N 3.11Å; T871-I873 PolarHBondContact O-N 2.69Å; T871-I873 PolarHBondContact OG1-N 2.74Å; T871-D1131 WeakPolarHBondContact CA-OD2 3.32Å; T871-D1131 WeakPolarHBondContact CB-OD2 3.39Å; T871-Q1133 VanDerWaalsContact CG2-NE2 3.27Å
872	G	71.8	Confident	81.9	Confident	38 Å²	38	39.3 Å²	39.3	39%	0.392	21%	0.21	S	C	.	.			trans	67.1	8.2	-172.7	0	0	0	0	0	114.6	Y867 N868	Y867-G872 WeakPolarHBondContact CE2-O 3.19Å; N868-G872 WeakPolarHBondContact O-CA 3.33Å; N868-G872 PolarHBondContact O-N 2.67Å
873	I	74.7	Confident	81.8	Confident	8 Å²	8	41 Å²	41	4%	0.041	22%	0.218	C	C	.	.			trans	-89.9	133.1	-176.3	-58.8	171.2	0	0	0	110.8	N868 T871 Q875 L1156	N868-I873 PolarHBondContact N-O 2.87Å; T871-I873 PolarHBondContact O-N 2.69Å; T871-I873 PolarHBondContact OG1-N 2.74Å; I873-Q875 HydrophobicContact CB-CG 4.48Å; I873-Q875 HydrophobicContact CG2-CG 3.74Å; I873-L1156 HydrophobicContact CD1-CD1 4.1Å; I873-L1156 HydrophobicContact CD1-CD2 3.78Å; I873-L1156 HydrophobicContact CG1-CD1 4.3Å; I873-L1156 HydrophobicContact CG1-CD2 4.07Å; I873-L1156 HydrophobicContact CG2-CD2 4Å
874	D	78.5	Confident	81.7	Confident	53 Å²	53	38.7 Å²	38.7	28%	0.283	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	114.5	164.7	-86.2	-46.7	0	0	0	110.5	K865 Y867	K865-D874 WeakPolarHBondContact CE-OD1 3.44Å; K865-D874 WeakPolarHBondContact CE-OD2 3.33Å; K865-D874 IonicContact NZ-OD1 3.71Å; K865-D874 PolarHBondContact NZ-OD1 2.93Å; K865-D874 IonicContact NZ-OD2 2.71Å; K865-D874 PolarHBondContact NZ-OD2 2.98Å; Y867-D874 WeakPolarHBondContact CB-OD1 3.46Å
875	Q	78.1	Confident	81.9	Confident	49 Å²	49	37.8 Å²	37.8	23%	0.229	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	149	-179.1	-59	-174.4	-3.9	0	0	111.4	K865 V866 I873 V877 L1158	K865-Q875 CarbonylContact C-O 3.55Å; K865-Q875 WeakPolarHBondContact CA-O 3.37Å; V866-Q875 PolarHBondContact N-O 3.41Å; V866-Q875 PolarHBondContact O-N 2.75Å; I873-Q875 HydrophobicContact CB-CG 4.48Å; I873-Q875 HydrophobicContact CG2-CG 3.74Å; Q875-V877 HydrophobicContact CB-CG2 4.17Å; Q875-L1158 HydrophobicContact CG-CB 4.37Å; Q875-L1158 HydrophobicContact CG-CD2 4.08Å
876	L	81.2	Confident	82.3	Confident	128 Å²	128	33 Å²	33	67%	0.67	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108	100.5	174.1	-80.4	167.5	0	0	0	109.7	Q864 K865	Q864-L876 WeakPolarHBondContact O-CA 3.49Å; K865-L876 HydrophobicContact CB-CD2 4.13Å
877	V	82.9	Confident	82.5	Confident	58 Å²	58	37.7 Å²	37.7	35%	0.352	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.8	-171.3	-175.1	0	0	0	0	110.3	K863 Q864 V866 Q875 T879	K863-V877 WeakPolarHBondContact CA-O 3.38Å; Q864-V877 PolarHBondContact N-O 3.5Å; Q864-V877 PolarHBondContact O-N 2.96Å; V866-V877 HydrophobicContact CB-CG2 4.42Å; V866-V877 HydrophobicContact CG2-CB 4.3Å; V866-V877 HydrophobicContact CG2-CG2 4.2Å; Q875-V877 HydrophobicContact CB-CG2 4.17Å; V877-T879 HydrophobicContact CG1-CG2 4.37Å
878	V	86.5	Confident	82.6	Confident	21 Å²	21	37.8 Å²	37.8	13%	0.127	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	120.8	168.3	-179.7	0	0	0	0	108.6	A478 T783 F861 K863	A478-V878 HydrophobicContact CB-CB 4.34Å; A478-V878 HydrophobicContact CB-CG1 3.89Å; T783-V878 HydrophobicContact CG2-CG1 4.34Å; F861-V878 HydrophobicContact CB-CG1 4.23Å; F861-V878 HydrophobicContact CD1-CG1 4.12Å; F861-V878 HydrophobicContact CG-CG1 4.37Å; K863-V878 HydrophobicContact CD-CG2 4.25Å; K863-V878 HydrophobicContact CG-CG2 3.76Å
879	T	86.9	Confident	83.2	Confident	5 Å²	5	35.7 Å²	35.7	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	149.3	-179.6	56.8	0	0	0	0	110.4	I466 V862 Q864 V877	I466-T879 HydrophobicContact CG2-CG2 4Å; V862-T879 PolarHBondContact N-O 2.68Å; V862-T879 PolarHBondContact O-N 2.91Å; V862-T879 PolarHBondContact O-OG1 3.26Å; Q864-T879 HydrophobicContact CB-CG2 4.44Å; Q864-T879 WeakPolarHBondContact CG-OG1 3.41Å; Q864-T879 PolarHBondContact OE1-OG1 3.04Å; V877-T879 HydrophobicContact CG1-CG2 4.37Å
880	P	91.3	Very high	84	Confident	19 Å²	19	35.4 Å²	35.4	12%	0.123	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	151.8	162.3	-21.7	33.8	0	0	0	111.6	V467 L474 G860 F861	V467-P880 HydrophobicContact CG1-CG 4.39Å; L474-P880 HydrophobicContact CB-CB 4.3Å; L474-P880 HydrophobicContact CB-CG 3.84Å; L474-P880 HydrophobicContact CD1-CB 4.23Å; G860-P880 CarbonylContact O-C 3.52Å; G860-P880 WeakPolarHBondContact O-CA 3.38Å; F861-P880 HydrophobicContact CE1-CG 4.32Å
881	I	92	Very high	84.6	Confident	3 Å²	3	32.9 Å²	32.9	2%	0.015	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-81	164.4	173.6	65.8	-177.6	0	0	0	112.3	D858 G860 V862 Q885 A886 M914	D858-I881 WeakPolarHBondContact OD2-CD1 3.26Å; G860-I881 WeakPolarHBondContact O-CG1 3.4Å; G860-I881 PolarHBondContact O-N 2.88Å; V862-I881 HydrophobicContact CB-CG2 3.93Å; V862-I881 HydrophobicContact CG1-CG2 3.67Å; I881-Q885 HydrophobicContact CB-CB 4.03Å; I881-Q885 HydrophobicContact CD1-CB 4.47Å; I881-A886 HydrophobicContact CD1-CB 3.66Å; I881-A886 HydrophobicContact CG1-CB 4.25Å; I881-M914 HydrophobicContact CG1-CE 4.05Å; I881-M914 HydrophobicContact CG1-SD 4.19Å; I881-M914 WeakPolarHBondContact O-CG 3.48Å
882	S	90.2	Very high	85.4	Confident	4 Å²	4	31.3 Å²	31.3	3%	0.028	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-81.5	159.1	165.6	72.4	0	0	0	0	112.5	A884 Q885 A886 L915 T917 N918	S882-A884 PolarHBondContact O-N 3.33Å; S882-Q885 VanDerWaalsContact N-OE1 3.13Å; S882-Q885 PolarHBondContact O-N 2.99Å; S882-Q885 VanDerWaalsContact O-N 3.08Å; S882-Q885 PolarHBondContact OG-N 3.27Å; S882-A886 PolarHBondContact O-N 3.41Å; S882-L915 CarbonylContact C-O 3.57Å; S882-L915 VanDerWaalsContact CA-O 3.24Å; S882-L915 WeakPolarHBondContact CA-O 3.2Å; S882-L915 WeakPolarHBondContact CB-O 3.38Å; S882-T917 VanDerWaalsContact CB-C 3.41Å; S882-T917 VanDerWaalsContact CB-O 3.3Å; S882-T917 WeakPolarHBondContact CB-O 3.42Å; S882-N918 WeakPolarHBondContact CB-OD1 3.35Å; S882-N918 PolarHBondContact OG-OD1 3.39Å
883	Q	89.3	Confident	86.1	Confident	41 Å²	41	29.5 Å²	29.5	19%	0.192	16%	0.162	C	C	.	.	H	α-helix	trans	-56.6	-34.8	172.5	-64.2	172	0.5	0	0	111.7	A886 K887 Y910 M914 L915	Q883-A886 PolarHBondContact O-N 2.93Å; Q883-K887 WeakPolarHBondContact O-CB 3.23Å; Q883-K887 PolarHBondContact O-N 3.08Å; Q883-Y910 HydrophobicContact CB-CE2 3.9Å; Q883-Y910 HydrophobicContact CG-CD2 4.18Å; Q883-Y910 HydrophobicContact CG-CE1 4.43Å; Q883-Y910 HydrophobicContact CG-CE2 3.77Å; Q883-Y910 WeakPolarHBondContact CG-O 3.41Å; Q883-Y910 PolarHBondContact NE2-O 3.26Å; Q883-M914 HydrophobicContact CG-CB 4.16Å; Q883-L915 WeakPolarHBondContact CG-O 3.26Å; Q883-L915 PolarHBondContact N-O 3.33Å
884	A	85.6	Confident	86.5	Confident	29 Å²	29	29.1 Å²	29.1	24%	0.24	16%	0.16	C	C	.	.	H	α-helix	trans	-60.4	-47.7	173.3	0	0	0	0	0	112.3	S882 K887 Q888 T916	S882-A884 PolarHBondContact O-N 3.33Å; A884-K887 PolarHBondContact O-N 3.43Å; A884-Q888 WeakPolarHBondContact O-CG 3.26Å; A884-Q888 PolarHBondContact O-N 2.74Å; A884-T916 PolarHBondContact N-O 3.48Å; A884-T916 VanDerWaalsContact N-O 3.1Å
885	Q	87.4	Confident	86.6	Confident	8 Å²	8	29.1 Å²	29.1	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-63.8	-46.4	174.9	-65.8	-179.8	-75.3	0	0	111.4	E845 I881 S882 K887 Q888 R889 N918	E845-Q885 WeakPolarHBondContact OE1-CG 3.34Å; E845-Q885 PolarHBondContact OE1-NE2 3.28Å; I881-Q885 HydrophobicContact CB-CB 4.03Å; I881-Q885 HydrophobicContact CD1-CB 4.47Å; S882-Q885 VanDerWaalsContact N-OE1 3.13Å; S882-Q885 PolarHBondContact O-N 2.99Å; S882-Q885 VanDerWaalsContact O-N 3.08Å; S882-Q885 PolarHBondContact OG-N 3.27Å; Q885-K887 PolarHBondContact O-N 2.97Å; Q885-Q888 CarbonylContact O-C 3.57Å; Q885-Q888 WeakPolarHBondContact O-CA 3.4Å; Q885-Q888 PolarHBondContact O-N 3.5Å; Q885-R889 WeakPolarHBondContact O-CG 3.37Å; Q885-R889 PolarHBondContact O-N 3.25Å; Q885-N918 WeakPolarHBondContact CG-OD1 3.43Å; Q885-N918 PolarHBondContact OE1-OD1 3.37Å; Q885-N918 VanDerWaalsContact OE1-OD1 3.07Å
886	A	90.6	Very high	86.6	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.2	-31.8	177.7	0	0	0	0	0	112.4	I881 S882 Q883 A890 R903 Y910	I881-A886 HydrophobicContact CD1-CB 3.66Å; I881-A886 HydrophobicContact CG1-CB 4.25Å; S882-A886 PolarHBondContact O-N 3.41Å; Q883-A886 PolarHBondContact O-N 2.93Å; A886-A890 WeakPolarHBondContact O-CB 3.19Å; A886-A890 PolarHBondContact O-N 3.44Å; A886-R903 PolarHBondContact O-NH2 3.31Å; A886-Y910 HydrophobicContact CB-CD2 4.34Å; A886-Y910 HydrophobicContact CB-CE2 3.85Å
887	K	87.2	Confident	86.7	Confident	128 Å²	128	23.5 Å²	23.5	56%	0.557	13%	0.131	S	C	*	.	H	α-helix	trans	-74.8	-38.8	172.2	-173.2	167.9	-178.9	169.6	0	112.5	Q883 A884 Q885 A890 G891	Q883-K887 WeakPolarHBondContact O-CB 3.23Å; Q883-K887 PolarHBondContact O-N 3.08Å; A884-K887 PolarHBondContact O-N 3.43Å; Q885-K887 PolarHBondContact O-N 2.97Å; K887-A890 PolarHBondContact O-N 2.94Å; K887-G891 PolarHBondContact O-N 2.63Å
888	Q	86.2	Confident	87	Confident	23 Å²	23	24.6 Å²	24.6	11%	0.107	14%	0.139	C	C	.	.	H	α-helix	trans	-67.6	-34.5	175	-71.1	-173.5	-31.2	0	0	113.6	H690 E845 A884 Q885 R892	H690-Q888 PolarHBondContact CD2-NE2 2.83Å; H690-Q888 PolarHBondContact NE2-NE2 3.4Å; E845-Q888 HydrophobicContact CG-CB 4.45Å; A884-Q888 WeakPolarHBondContact O-CG 3.26Å; A884-Q888 PolarHBondContact O-N 2.74Å; Q885-Q888 CarbonylContact O-C 3.57Å; Q885-Q888 WeakPolarHBondContact O-CA 3.4Å; Q885-Q888 PolarHBondContact O-N 3.5Å; Q888-R892 PolarHBondContact O-NE 2.94Å
889	R	90.4	Very high	87.2	Confident	4 Å²	4	24 Å²	24	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-64.9	-51.7	171.5	-68.6	-175.3	-179.6	-169.4	-1.3	111.1	F781 E845 D858 F861 Q885 G891 R892	F781-R889 HydrophobicContact CD1-CG 4.25Å; F781-R889 HydrophobicContact CD2-CB 4.11Å; F781-R889 HydrophobicContact CD2-CG 3.97Å; F781-R889 HydrophobicContact CE1-CG 3.96Å; F781-R889 HydrophobicContact CE2-CB 3.64Å; F781-R889 HydrophobicContact CE2-CG 3.66Å; F781-R889 HydrophobicContact CG-CG 4.25Å; F781-R889 HydrophobicContact CZ-CB 4.01Å; F781-R889 HydrophobicContact CZ-CG 3.66Å; E845-R889 HydrophobicContact CG-CG 3.98Å; E845-R889 IonicContact OE2-CZ 2.62Å; E845-R889 VanDerWaalsContact OE2-CZ 3.26Å; E845-R889 IonicContact OE2-NE 2.67Å; E845-R889 PolarHBondContact OE2-NE 2.84Å; E845-R889 IonicContact OE2-NH2 3.65Å; E845-R889 PolarHBondContact OE2-NH2 3.11Å; D858-R889 WeakPolarHBondContact OD1-CD 3.49Å; D858-R889 IonicContact OD1-CZ 2.77Å; D858-R889 IonicContact OD1-NE 3.26Å; D858-R889 IonicContact OD1-NH1 2.63Å; D858-R889 PolarHBondContact OD1-NH1 2.89Å; F861-R889 PolarHBondContact O-NH1 3.23Å; F861-R889 PolarHBondContact O-NH2 3.1Å; F861-R889 VanDerWaalsContact O-NH2 3.09Å; Q885-R889 WeakPolarHBondContact O-CG 3.37Å; Q885-R889 PolarHBondContact O-N 3.25Å; R889-G891 VanDerWaalsContact C-N 3.29Å; R889-G891 PolarHBondContact O-N 3.16Å; R889-R892 VanDerWaalsContact O-CB 3.25Å; R889-R892 WeakPolarHBondContact O-CB 3.23Å; R889-R892 VanDerWaalsContact O-CG 3.23Å; R889-R892 WeakPolarHBondContact O-CG 3.25Å; R889-R892 PolarHBondContact O-N 3.4Å
890	A	89.1	Confident	87.6	Confident	8 Å²	8	26.2 Å²	26.2	7%	0.066	15%	0.147	C	C	.	.	H	α-helix	trans	-58.3	-41	175.5	0	0	0	0	0	112.3	A886 K887 R892 A893 T901	A886-A890 WeakPolarHBondContact O-CB 3.19Å; A886-A890 PolarHBondContact O-N 3.44Å; K887-A890 PolarHBondContact O-N 2.94Å; A890-R892 PolarHBondContact O-N 3.44Å; A890-A893 PolarHBondContact O-N 3.22Å; A890-A893 VanDerWaalsContact O-N 3.11Å; A890-T901 WeakPolarHBondContact CA-OG1 3.43Å; A890-T901 HydrophobicContact CB-CG2 3.92Å
891	G	86.1	Confident	87.8	Confident	25 Å²	25	25.3 Å²	25.3	26%	0.258	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-4.4	175.3	0	0	0	0	0	115.5	K887 R889	K887-G891 PolarHBondContact O-N 2.63Å; R889-G891 VanDerWaalsContact C-N 3.29Å; R889-G891 PolarHBondContact O-N 3.16Å
892	R	87	Confident	87.9	Confident	6 Å²	6	26.6 Å²	26.6	2%	0.023	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-34.5	170.2	-58.9	-65.5	127.6	162.9	-15	112.4	L779 F781 A844 E845 T846 L848 V856 Q888 R889 A890 R895	L779-R892 HydrophobicContact CD2-CB 3.88Å; L779-R892 HydrophobicContact CD2-CG 3.85Å; F781-R892 HydrophobicContact CZ-CG 4.17Å; A844-R892 VanDerWaalsContact O-CD 3.32Å; A844-R892 WeakPolarHBondContact O-CD 3.3Å; A844-R892 PolarHBondContact O-NH1 2.99Å; E845-R892 VanDerWaalsContact C-CZ 3.42Å; E845-R892 PolarHBondContact O-NE 3.03Å; E845-R892 PolarHBondContact O-NH1 2.97Å; E845-R892 PolarHBondContact O-NH2 2.97Å; T846-R892 PolarHBondContact O-NH1 2.82Å; T846-R892 PolarHBondContact O-NH2 3.35Å; L848-R892 PolarHBondContact O-NH1 3.23Å; V856-R892 HydrophobicContact CG2-CB 3.95Å; Q888-R892 PolarHBondContact O-NE 2.94Å; R889-R892 VanDerWaalsContact O-CB 3.25Å; R889-R892 WeakPolarHBondContact O-CB 3.23Å; R889-R892 VanDerWaalsContact O-CG 3.23Å; R889-R892 WeakPolarHBondContact O-CG 3.25Å; R889-R892 PolarHBondContact O-N 3.4Å; A890-R892 PolarHBondContact O-N 3.44Å; R892-R895 VanDerWaalsContact CZ-CZ 3.45Å; R892-R895 VanDerWaalsContact NH1-NH2 3.12Å; R892-R895 VanDerWaalsContact NH2-NH2 3.14Å
893	A	87.8	Confident	88.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-67.6	-44.6	179.6	0	0	0	0	0	112.1	V746 V856 A890 R895	V746-A893 HydrophobicContact CG1-CB 3.98Å; V746-A893 HydrophobicContact CG2-CB 4.08Å; V856-A893 HydrophobicContact CG2-CB 3.92Å; A890-A893 PolarHBondContact O-N 3.22Å; A890-A893 VanDerWaalsContact O-N 3.11Å; A893-R895 PolarHBondContact O-N 2.81Å
894	G	83.1	Confident	88.4	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-73.1	12.4	-173.3	0	0	0	0	0	116.2	T743 Y744 V746	T743-G894 CarbonylContact C-O 3.51Å; T743-G894 VanDerWaalsContact CA-O 3.28Å; T743-G894 WeakPolarHBondContact CA-O 3.18Å; Y744-G894 PolarHBondContact N-O 3.33Å; V746-G894 VanDerWaalsContact CG2-CA 3.4Å; V746-G894 VanDerWaalsContact CG2-N 3.28Å
895	R	79.8	Confident	88.7	Confident	52 Å²	52	24.1 Å²	24.1	20%	0.196	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-87.3	-34.8	-173	-79.9	172.3	162.3	-174.7	-10.6	114.7	T592 L848 R892 A893	T592-R895 VanDerWaalsContact CB-NH2 3.32Å; T592-R895 PolarHBondContact OG1-NE 2.68Å; T592-R895 PolarHBondContact OG1-NH2 3.28Å; L848-R895 PolarHBondContact O-NH1 3.17Å; R892-R895 VanDerWaalsContact CZ-CZ 3.45Å; R892-R895 VanDerWaalsContact NH1-NH2 3.12Å; R892-R895 VanDerWaalsContact NH2-NH2 3.14Å; A893-R895 PolarHBondContact O-N 2.81Å
896	T	77.1	Confident	88.9	Confident	56 Å²	56	24.9 Å²	24.9	34%	0.344	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-35.3	-177.5	-40	0	0	0	0	111.5	G852 Y854	G852-T896 PolarHBondContact N-OG1 3.35Å; G852-T896 VanDerWaalsContact N-OG1 3.16Å; Y854-T896 HydrophobicContact CE2-CG2 4.16Å
897	G	83.8	Confident	89	Confident	3 Å²	3	28.9 Å²	28.9	3%	0.031	15%	0.152	C	C	.	.	S	Bend	trans	-170.7	-176.5	-178.4	0	0	0	0	0	110	Y744	Y744-G897 WeakPolarHBondContact CB-O 3.34Å; Y744-G897 VanDerWaalsContact CD2-CA 3.49Å; Y744-G897 VanDerWaalsContact CG-C 3.5Å
898	P	89.2	Confident	89.1	Confident	81 Å²	81	31.7 Å²	31.7	53%	0.526	16%	0.159	S	C	.	.	S	Bend	trans	-64.6	136.2	175.3	28.6	-34.4	0	0	0	110.1	P745 Y854	P745-P898 HydrophobicContact CG-CB 4.41Å; P745-P898 WeakPolarHBondContact O-CA 3.49Å; Y854-P898 VanDerWaalsContact CD1-O 3.26Å; Y854-P898 WeakPolarHBondContact CD1-O 3.38Å
899	G	91.3	Very high	89.3	Confident	10 Å²	10	30.7 Å²	30.7	10%	0.103	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	-178.6	-170.2	0	0	0	0	0	114.1	P745 V746 E747 Y854	P745-G899 PolarHBondContact O-N 3.32Å; V746-G899 CarbonylContact C-O 3.53Å; V746-G899 VanDerWaalsContact CA-O 3.31Å; V746-G899 WeakPolarHBondContact CA-O 3.19Å; E747-G899 PolarHBondContact N-O 3.3Å; Y854-G899 CarbonylContact O-C 3.53Å; Y854-G899 WeakPolarHBondContact O-CA 3.18Å
900	K	94.6	Very high	89.3	Confident	50 Å²	50	32.4 Å²	32.4	22%	0.217	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.8	-178.3	-60.9	-175.1	173.1	170.3	0	111.7	E747 E773 Y854 Y855 V856 Y902	E747-K900 HydrophobicContact CB-CG 4.23Å; E747-K900 CarbonylContact O-C 3.57Å; E747-K900 WeakPolarHBondContact O-CA 3.36Å; E747-K900 WeakPolarHBondContact OE2-CE 3.47Å; E773-K900 IonicContact OE1-NZ 3.29Å; E773-K900 PolarHBondContact OE1-NZ 2.89Å; E773-K900 IonicContact OE2-NZ 2.94Å; E773-K900 PolarHBondContact OE2-NZ 3.24Å; Y854-K900 PolarHBondContact O-N 3.12Å; Y855-K900 WeakPolarHBondContact CA-O 3.49Å; Y855-K900 HydrophobicContact CD1-CB 4.11Å; Y855-K900 HydrophobicContact CE1-CB 4.42Å; Y855-K900 HydrophobicContact CE1-CD 4.23Å; Y855-K900 HydrophobicContact CE1-CG 4.42Å; V856-K900 PolarHBondContact N-O 3.09Å; K900-Y902 HydrophobicContact CB-CE2 3.74Å; K900-Y902 WeakPolarHBondContact CD-OH 3.46Å
901	T	95.5	Very high	89.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.2	172.2	-58.9	0	0	0	0	110.1	V746 E747 L749 V856 A890 R903	V746-T901 VanDerWaalsContact CG1-OG1 3.24Å; V746-T901 WeakPolarHBondContact CG1-OG1 3.43Å; E747-T901 PolarHBondContact O-N 3.25Å; L749-T901 PolarHBondContact N-O 3.31Å; V856-T901 HydrophobicContact CB-CG2 4.13Å; V856-T901 HydrophobicContact CG1-CG2 4.02Å; V856-T901 CarbonylContact O-C 3.53Å; V856-T901 WeakPolarHBondContact O-CA 3.42Å; A890-T901 WeakPolarHBondContact CA-OG1 3.43Å; A890-T901 HydrophobicContact CB-CG2 3.92Å; T901-R903 HydrophobicContact CG2-CG 4.18Å
902	Y	95.4	Very high	89.4	Confident	31 Å²	31	41.3 Å²	41.3	12%	0.122	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.9	176.9	-56.4	-104.4	0	0	0	108.2	L749 T765 I769 E773 Y855 V856 D858 K900	L749-Y902 HydrophobicContact CB-CD1 4.35Å; L749-Y902 HydrophobicContact CD1-CD1 3.73Å; L749-Y902 HydrophobicContact CD1-CE1 3.41Å; L749-Y902 VanDerWaalsContact CD1-CE1 3.41Å; L749-Y902 HydrophobicContact CD1-CE2 4.45Å; L749-Y902 HydrophobicContact CD1-CG 4.38Å; T765-Y902 HydrophobicContact CG2-CD1 4.1Å; T765-Y902 HydrophobicContact CG2-CG 3.94Å; I769-Y902 HydrophobicContact CD1-CD2 3.59Å; I769-Y902 HydrophobicContact CD1-CE2 3.49Å; I769-Y902 VanDerWaalsContact CD1-CE2 3.49Å; I769-Y902 HydrophobicContact CD1-CG 4.24Å; I769-Y902 HydrophobicContact CG1-CD2 4.31Å; I769-Y902 HydrophobicContact CG1-CE1 4.41Å; I769-Y902 HydrophobicContact CG1-CE2 3.77Å; E773-Y902 PolarHBondContact OE1-OH 2.72Å; Y855-Y902 HydrophobicContact CD1-CE2 4.15Å; V856-Y902 PolarHBondContact O-N 3.05Å; D858-Y902 PolarHBondContact N-O 2.83Å; K900-Y902 HydrophobicContact CB-CE2 3.74Å; K900-Y902 WeakPolarHBondContact CD-OH 3.46Å
903	R	94.9	Very high	89.5	Confident	9 Å²	9	42.6 Å²	42.6	3%	0.034	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.2	178.6	-67.8	177.4	164.9	-173.7	-9.1	109	V748 L749 Y750 T751 D858 A886 T901 Y905	V748-R903 HydrophobicContact CG1-CG 4.34Å; L749-R903 WeakPolarHBondContact O-CB 3.29Å; L749-R903 PolarHBondContact O-N 2.67Å; Y750-R903 WeakPolarHBondContact CA-O 3.46Å; Y750-R903 HydrophobicContact CD1-CB 3.97Å; Y750-R903 HydrophobicContact CE1-CB 4.47Å; Y750-R903 VanDerWaalsContact CE1-CD 3.44Å; Y750-R903 PolarHBondContact OH-NH1 3.13Å; T751-R903 PolarHBondContact N-O 3.45Å; T751-R903 VanDerWaalsContact N-O 3.09Å; D858-R903 WeakPolarHBondContact O-CA 3.27Å; A886-R903 PolarHBondContact O-NH2 3.31Å; T901-R903 HydrophobicContact CG2-CG 4.18Å; R903-Y905 HydrophobicContact CB-CD1 4.16Å; R903-Y905 HydrophobicContact CB-CD2 4.19Å; R903-Y905 HydrophobicContact CB-CE1 3.8Å; R903-Y905 HydrophobicContact CB-CE2 3.84Å; R903-Y905 HydrophobicContact CB-CG 4.36Å; R903-Y905 WeakPolarHBondContact CD-OH 3.34Å; R903-Y905 HydrophobicContact CG-CE1 4.1Å; R903-Y905 HydrophobicContact CG-CE2 4.05Å; R903-Y905 WeakPolarHBondContact CG-OH 3.39Å; R903-Y905 PolarHBondContact NE-OH 3.21Å; R903-Y905 PolarHBondContact O-N 3.05Å
904	L	93.3	Very high	89.5	Confident	11 Å²	11	42.7 Å²	42.7	6%	0.058	20%	0.198	C	C	.	.	S	Bend	trans	-84.7	36.2	-176.7	-46	-179.1	0	0	0	112.4	T751 A761 S762 V857 D858 P859	T751-L904 HydrophobicContact CG2-CB 4.48Å; T751-L904 HydrophobicContact CG2-CD2 4.31Å; A761-L904 HydrophobicContact CB-CD1 4.07Å; S762-L904 WeakPolarHBondContact OG-CD1 3.45Å; V857-L904 HydrophobicContact CG1-CD1 4.11Å; V857-L904 HydrophobicContact CG1-CG 4.4Å; D858-L904 PolarHBondContact O-N 3.12Å; P859-L904 HydrophobicContact CB-CD1 4.27Å
905	Y	92.8	Very high	89.8	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.008	21%	0.211	C	C	.	.	S	Bend	trans	-147.1	149	-178.9	48.1	-92.7	0	0	0	109	Y750 T751 D858 R903 Y910 M914	Y750-Y905 HydrophobicContact CD1-CD2 4.46Å; Y750-Y905 WeakPolarHBondContact CD1-O 3.39Å; Y750-Y905 HydrophobicContact CE1-CE2 4.38Å; T751-Y905 PolarHBondContact OG1-N 3.15Å; D858-Y905 VanDerWaalsContact O-CE1 3.32Å; D858-Y905 WeakPolarHBondContact O-CE1 3.41Å; D858-Y905 PolarHBondContact OD2-OH 3.15Å; R903-Y905 HydrophobicContact CB-CD1 4.16Å; R903-Y905 HydrophobicContact CB-CD2 4.19Å; R903-Y905 HydrophobicContact CB-CE1 3.8Å; R903-Y905 HydrophobicContact CB-CE2 3.84Å; R903-Y905 HydrophobicContact CB-CG 4.36Å; R903-Y905 WeakPolarHBondContact CD-OH 3.34Å; R903-Y905 HydrophobicContact CG-CE1 4.1Å; R903-Y905 HydrophobicContact CG-CE2 4.05Å; R903-Y905 WeakPolarHBondContact CG-OH 3.39Å; R903-Y905 PolarHBondContact NE-OH 3.21Å; R903-Y905 PolarHBondContact O-N 3.05Å; Y905-Y910 AromaticContact CE2-CD2 3.96Å; Y905-Y910 HydrophobicContact CE2-CD2 3.96Å; Y905-Y910 HydrophobicContact CE2-CG 4.38Å; Y905-M914 HydrophobicContact CD1-CE 4.08Å; Y905-M914 HydrophobicContact CD2-CE 3.71Å; Y905-M914 HydrophobicContact CE1-CE 3.98Å; Y905-M914 HydrophobicContact CE2-CE 3.58Å; Y905-M914 HydrophobicContact CE2-SD 4.11Å; Y905-M914 HydrophobicContact CG-CE 3.95Å
906	T	92.8	Very high	90.1	Very high	24 Å²	24	47 Å²	47	15%	0.147	23%	0.228	C	C	.	.			trans	-68.7	153	-176.9	71.7	0	0	0	0	111.7	T751 K752 R908 A909 Y910	T751-T906 WeakPolarHBondContact O-CA 3.36Å; K752-T906 WeakPolarHBondContact O-CG2 3.46Å; T906-R908 PolarHBondContact O-N 3.49Å; T906-A909 PolarHBondContact O-N 2.98Å; T906-A909 VanDerWaalsContact O-N 3.11Å; T906-A909 PolarHBondContact OG1-N 3.49Å; T906-A909 VanDerWaalsContact OG1-N 3.07Å; T906-Y910 PolarHBondContact O-N 2.98Å
907	E	91.5	Very high	90.5	Very high	83 Å²	83	47 Å²	47	39%	0.388	23%	0.228	S	C	.	.	H	α-helix	trans	-59.6	-31.4	174	-172.6	178.2	-162.4	0	0	111.5	Y750 Y910 R911	Y750-E907 HydrophobicContact CD1-CB 4.12Å; Y750-E907 HydrophobicContact CD2-CB 4.01Å; Y750-E907 HydrophobicContact CD2-CG 4.39Å; Y750-E907 HydrophobicContact CE1-CB 4.26Å; Y750-E907 HydrophobicContact CE1-CG 4.34Å; Y750-E907 HydrophobicContact CE2-CB 4.15Å; Y750-E907 HydrophobicContact CE2-CG 4.03Å; Y750-E907 HydrophobicContact CG-CB 3.99Å; E907-Y910 WeakPolarHBondContact O-CB 3.44Å; E907-Y910 PolarHBondContact O-N 3.18Å; E907-R911 WeakPolarHBondContact O-CG 3.48Å; E907-R911 PolarHBondContact O-N 3Å; E907-R911 VanDerWaalsContact O-N 3.1Å; E907-R911 IonicContact OE1-CZ 3.8Å; E907-R911 IonicContact OE1-NE 2.68Å; E907-R911 PolarHBondContact OE1-NE 2.9Å; E907-R911 IonicContact OE1-NH2 2.59Å; E907-R911 PolarHBondContact OE1-NH2 3.02Å; E907-R911 IonicContact OE2-NH2 2.65Å
908	R	90.4	Very high	90.4	Very high	187 Å²	187	49 Å²	49	71%	0.706	24%	0.238	S	C	*	.	H	α-helix	trans	-63.9	-47.5	173.8	-169.6	178.3	-178.8	-171.4	-1.1	111.6	T906 Y910 R911 D912	T906-R908 PolarHBondContact O-N 3.49Å; R908-Y910 VanDerWaalsContact C-N 3.27Å; R908-Y910 PolarHBondContact O-N 3.39Å; R908-R911 PolarHBondContact O-N 2.9Å; R908-R911 VanDerWaalsContact O-N 3.13Å; R908-D912 HydrophobicContact CG-CB 4.36Å; R908-D912 WeakPolarHBondContact CG-OD2 3.28Å; R908-D912 IonicContact CZ-OD2 3.17Å; R908-D912 IonicContact NE-OD2 2.66Å; R908-D912 PolarHBondContact NE-OD2 3.17Å; R908-D912 IonicContact NH2-OD2 2.8Å; R908-D912 WeakPolarHBondContact O-CB 3.39Å; R908-D912 PolarHBondContact O-N 2.91Å
909	A	89.7	Confident	90.3	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.017	22%	0.22	C	C	.	.	I	π-helix	trans	-60.7	-38.1	176.7	0	0	0	0	0	111.9	L474 T906 R911 E913 M914	L474-A909 HydrophobicContact CD1-CB 4.06Å; L474-A909 HydrophobicContact CG-CB 4.18Å; T906-A909 PolarHBondContact O-N 2.98Å; T906-A909 VanDerWaalsContact O-N 3.11Å; T906-A909 PolarHBondContact OG1-N 3.49Å; T906-A909 VanDerWaalsContact OG1-N 3.07Å; A909-R911 PolarHBondContact O-N 3.47Å; A909-E913 HydrophobicContact CB-CG 4.47Å; A909-E913 WeakPolarHBondContact O-CA 3.37Å; A909-E913 WeakPolarHBondContact O-CB 2.81Å; A909-E913 PolarHBondContact O-N 3.23Å; A909-M914 PolarHBondContact O-N 2.96Å
910	Y	90.9	Very high	90.1	Very high	41 Å²	41	46.1 Å²	46.1	16%	0.161	22%	0.217	C	C	.	.	I	π-helix	trans	-60.4	-38.5	173.8	174.4	-100.7	0	0	0	113.5	Y750 Q883 A886 Y905 T906 E907 R908 M914	Y750-Y910 HydrophobicContact CE1-CD1 4.34Å; Y750-Y910 HydrophobicContact CE1-CG 4.07Å; Q883-Y910 HydrophobicContact CB-CE2 3.9Å; Q883-Y910 HydrophobicContact CG-CD2 4.18Å; Q883-Y910 HydrophobicContact CG-CE1 4.43Å; Q883-Y910 HydrophobicContact CG-CE2 3.77Å; Q883-Y910 WeakPolarHBondContact CG-O 3.41Å; Q883-Y910 PolarHBondContact NE2-O 3.26Å; A886-Y910 HydrophobicContact CB-CD2 4.34Å; A886-Y910 HydrophobicContact CB-CE2 3.85Å; Y905-Y910 AromaticContact CE2-CD2 3.96Å; Y905-Y910 HydrophobicContact CE2-CD2 3.96Å; Y905-Y910 HydrophobicContact CE2-CG 4.38Å; T906-Y910 PolarHBondContact O-N 2.98Å; E907-Y910 WeakPolarHBondContact O-CB 3.44Å; E907-Y910 PolarHBondContact O-N 3.18Å; R908-Y910 VanDerWaalsContact C-N 3.27Å; R908-Y910 PolarHBondContact O-N 3.39Å; Y910-M914 HydrophobicContact CD2-SD 3.86Å
911	R	89.3	Confident	89.7	Confident	148 Å²	148	47.2 Å²	47.2	56%	0.558	22%	0.223	S	C	*	.	I	π-helix	trans	-83.4	-47.8	179.2	-64.6	176.7	-175.5	-155.5	6.7	112.6	K468 E907 R908 A909	K468-R911 PolarHBondContact NZ-O 2.84Å; E907-R911 WeakPolarHBondContact O-CG 3.48Å; E907-R911 PolarHBondContact O-N 3Å; E907-R911 VanDerWaalsContact O-N 3.1Å; E907-R911 IonicContact OE1-CZ 3.8Å; E907-R911 IonicContact OE1-NE 2.68Å; E907-R911 PolarHBondContact OE1-NE 2.9Å; E907-R911 IonicContact OE1-NH2 2.59Å; E907-R911 PolarHBondContact OE1-NH2 3.02Å; E907-R911 IonicContact OE2-NH2 2.65Å; R908-R911 PolarHBondContact O-N 2.9Å; R908-R911 VanDerWaalsContact O-N 3.13Å; A909-R911 PolarHBondContact O-N 3.47Å
912	D	88	Confident	89.4	Confident	71 Å²	71	47.2 Å²	47.2	38%	0.38	22%	0.223	S	C	.	.	I	π-helix	trans	-91.9	-41	-167.1	-65.9	-3.7	0	0	0	112.9	K468 R908	K468-D912 WeakPolarHBondContact CD-O 3.47Å; K468-D912 WeakPolarHBondContact CE-O 3.11Å; K468-D912 PolarHBondContact NZ-O 2.86Å; R908-D912 HydrophobicContact CG-CB 4.36Å; R908-D912 WeakPolarHBondContact CG-OD2 3.28Å; R908-D912 IonicContact CZ-OD2 3.17Å; R908-D912 IonicContact NE-OD2 2.66Å; R908-D912 PolarHBondContact NE-OD2 3.17Å; R908-D912 IonicContact NH2-OD2 2.8Å; R908-D912 WeakPolarHBondContact O-CB 3.39Å; R908-D912 PolarHBondContact O-N 2.91Å
913	E	87.7	Confident	89	Confident	33 Å²	33	48 Å²	48	15%	0.154	23%	0.228	C	C	.	.	I	π-helix	trans	-93.4	-37.1	-175.3	-63.7	-173.6	-159.3	0	0	113.6	K468 S473 L474 A909	K468-E913 WeakPolarHBondContact CB-O 3.44Å; S473-E913 WeakPolarHBondContact CB-OE1 3.5Å; S473-E913 VanDerWaalsContact N-CD 3.29Å; S473-E913 PolarHBondContact N-OE1 3.05Å; S473-E913 PolarHBondContact N-OE2 3.22Å; S473-E913 VanDerWaalsContact OG-CD 3.3Å; S473-E913 PolarHBondContact OG-OE1 2.64Å; S473-E913 PolarHBondContact OG-OE2 3.09Å; L474-E913 WeakPolarHBondContact CB-OE2 3.37Å; L474-E913 HydrophobicContact CD1-CB 4.11Å; L474-E913 WeakPolarHBondContact CG-OE2 3.27Å; L474-E913 PolarHBondContact N-OE2 3.23Å; A909-E913 HydrophobicContact CB-CG 4.47Å; A909-E913 WeakPolarHBondContact O-CA 3.37Å; A909-E913 WeakPolarHBondContact O-CB 2.81Å; A909-E913 PolarHBondContact O-N 3.23Å
914	M	89.1	Confident	88.6	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	23%	0.233	C	C	.	.	S	Bend	trans	-72.6	150	179.3	-65.4	-174.8	173.9	0	0	112.5	K468 L474 I881 Q883 Y905 A909 Y910	K468-M914 WeakPolarHBondContact CD-O 3.48Å; K468-M914 PolarHBondContact NZ-O 2.93Å; L474-M914 HydrophobicContact CD1-CE 3.72Å; L474-M914 HydrophobicContact CD1-CG 3.85Å; I881-M914 HydrophobicContact CG1-CE 4.05Å; I881-M914 HydrophobicContact CG1-SD 4.19Å; I881-M914 WeakPolarHBondContact O-CG 3.48Å; Q883-M914 HydrophobicContact CG-CB 4.16Å; Y905-M914 HydrophobicContact CD1-CE 4.08Å; Y905-M914 HydrophobicContact CD2-CE 3.71Å; Y905-M914 HydrophobicContact CE1-CE 3.98Å; Y905-M914 HydrophobicContact CE2-CE 3.58Å; Y905-M914 HydrophobicContact CE2-SD 4.11Å; Y905-M914 HydrophobicContact CG-CE 3.95Å; A909-M914 PolarHBondContact O-N 2.96Å; Y910-M914 HydrophobicContact CD2-SD 3.86Å
915	L	88.6	Confident	88.3	Confident	53 Å²	53	49.2 Å²	49.2	28%	0.277	23%	0.233	S	C	.	.			trans	-75	150.2	168.4	-68.1	174.2	0	0	0	110.4	I466 K468 S882 Q883 V919	I466-L915 WeakPolarHBondContact O-CD1 3.33Å; K468-L915 HydrophobicContact CB-CD2 3.86Å; K468-L915 HydrophobicContact CB-CG 4.4Å; K468-L915 HydrophobicContact CD-CD2 4.4Å; K468-L915 HydrophobicContact CG-CD2 4.23Å; S882-L915 CarbonylContact C-O 3.57Å; S882-L915 VanDerWaalsContact CA-O 3.24Å; S882-L915 WeakPolarHBondContact CA-O 3.2Å; S882-L915 WeakPolarHBondContact CB-O 3.38Å; Q883-L915 WeakPolarHBondContact CG-O 3.26Å; Q883-L915 PolarHBondContact N-O 3.33Å; L915-V919 HydrophobicContact CD1-CG2 3.66Å
916	T	87.1	Confident	88	Confident	91 Å²	91	51 Å²	51	56%	0.558	24%	0.243	S	C	*	.	S	Bend	trans	-68.7	-50.6	178.8	46.9	0	0	0	0	111.8	A884	A884-T916 PolarHBondContact N-O 3.48Å; A884-T916 VanDerWaalsContact N-O 3.1Å
917	T	84	Confident	87.8	Confident	56 Å²	56	50 Å²	50	34%	0.344	24%	0.237	S	C	.	.	S	Bend	trans	-116.4	167.9	178.2	55.2	0	0	0	0	111.1	S882	S882-T917 VanDerWaalsContact CB-C 3.41Å; S882-T917 VanDerWaalsContact CB-O 3.3Å; S882-T917 WeakPolarHBondContact CB-O 3.42Å
918	N	83.3	Confident	87.7	Confident	43 Å²	43	46.2 Å²	46.2	23%	0.23	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-68.1	138.5	168.9	-74	-13.7	0	0	0	110.4	S882 Q885	S882-N918 WeakPolarHBondContact CB-OD1 3.35Å; S882-N918 PolarHBondContact OG-OD1 3.39Å; Q885-N918 WeakPolarHBondContact CG-OD1 3.43Å; Q885-N918 PolarHBondContact OE1-OD1 3.37Å; Q885-N918 VanDerWaalsContact OE1-OD1 3.07Å
919	V	85.7	Confident	87.6	Confident	24 Å²	24	39.6 Å²	39.6	15%	0.145	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-61.4	131.6	161.9	-175.3	0	0	0	0	107.6	L915 Q923 R924	L915-V919 HydrophobicContact CD1-CG2 3.66Å; V919-Q923 HydrophobicContact CG1-CB 4.14Å; V919-R924 HydrophobicContact CG1-CG 3.87Å; V919-R924 PolarHBondContact O-NE 3.05Å; V919-R924 PolarHBondContact O-NH2 3.3Å
920	P	87	Confident	87.6	Confident	7 Å²	7	39.7 Å²	39.7	5%	0.045	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-56.9	157.2	177	-29.4	38.4	0	0	0	113.4	R692 I922 R924 D949	R692-P920 HydrophobicContact CB-CB 4.4Å; P920-I922 HydrophobicContact CB-CG2 3.97Å; P920-R924 PolarHBondContact O-NE 3.2Å; P920-D949 HydrophobicContact CG-CB 3.85Å
921	E	86.9	Confident	87.7	Confident	73 Å²	73	37.9 Å²	37.9	34%	0.341	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-69.9	-34.7	177.8	-165.4	-177.3	-153.6	0	0	111.7	R692 T693 I694 Q923 R924 T925	R692-E921 WeakPolarHBondContact O-CB 3.36Å; R692-E921 PolarHBondContact O-N 2.9Å; T693-E921 WeakPolarHBondContact CA-OE2 3.35Å; T693-E921 VanDerWaalsContact CB-OE2 3.31Å; T693-E921 WeakPolarHBondContact CB-OE2 3.49Å; I694-E921 HydrophobicContact CD1-CG 4.12Å; I694-E921 HydrophobicContact CG1-CB 3.96Å; I694-E921 HydrophobicContact CG1-CG 3.68Å; I694-E921 WeakPolarHBondContact CG1-OE2 3.34Å; I694-E921 PolarHBondContact N-OE2 3.48Å; E921-Q923 PolarHBondContact O-N 2.94Å; E921-Q923 VanDerWaalsContact O-N 3.12Å; E921-R924 PolarHBondContact O-N 3.45Å; E921-T925 HydrophobicContact CG-CG2 3.72Å; E921-T925 PolarHBondContact O-N 3.23Å; E921-T925 PolarHBondContact O-OG1 3.23Å
922	I	88.3	Confident	87.8	Confident	1 Å²	1	31 Å²	31	1%	0.005	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-60.5	-19.8	178.8	-162	172.1	0	0	0	114	I694 V698 P920 L927 F947 P951	I694-I922 HydrophobicContact CG2-CB 4.49Å; I694-I922 HydrophobicContact CG2-CG1 4.27Å; V698-I922 HydrophobicContact CG2-CD1 4.45Å; P920-I922 HydrophobicContact CB-CG2 3.97Å; I922-L927 HydrophobicContact CG1-CD2 3.75Å; I922-F947 HydrophobicContact CD1-CD1 3.65Å; I922-F947 HydrophobicContact CD1-CE1 3.44Å; I922-F947 VanDerWaalsContact CD1-CE1 3.44Å; I922-F947 HydrophobicContact CD1-CZ 4.19Å; I922-P951 HydrophobicContact CG1-CB 4.33Å
923	Q	88.3	Confident	87.8	Confident	47 Å²	47	28.9 Å²	28.9	22%	0.22	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-92.2	-2.1	177.3	-67.3	-175.3	-27.5	0	0	114	V919 E921 A950	V919-Q923 HydrophobicContact CG1-CB 4.14Å; E921-Q923 PolarHBondContact O-N 2.94Å; E921-Q923 VanDerWaalsContact O-N 3.12Å; Q923-A950 PolarHBondContact NE2-O 2.88Å
924	R	86.4	Confident	87.9	Confident	35 Å²	35	27.4 Å²	27.4	13%	0.132	15%	0.153	C	C	.	.	S	Bend	trans	-135.6	7.9	-166.7	-62.2	-178.6	-68.6	152.9	5.6	114.6	I466 Y867 V919 P920 E921	I466-R924 HydrophobicContact CD1-CG 4Å; I466-R924 HydrophobicContact CG1-CG 4.17Å; Y867-R924 PolarHBondContact N-O 2.99Å; V919-R924 HydrophobicContact CG1-CG 3.87Å; V919-R924 PolarHBondContact O-NE 3.05Å; V919-R924 PolarHBondContact O-NH2 3.3Å; P920-R924 PolarHBondContact O-NE 3.2Å; E921-R924 PolarHBondContact O-N 3.45Å
925	T	86.8	Confident	87.9	Confident	10 Å²	10	28 Å²	28	6%	0.061	16%	0.156	C	C	.	.	S	Bend	trans	-136	157	-172	51.8	0	0	0	0	111.6	I694 E921 L927	I694-T925 HydrophobicContact CD1-CG2 4.3Å; I694-T925 WeakPolarHBondContact CD1-OG1 3.47Å; I694-T925 WeakPolarHBondContact CG1-OG1 3.5Å; E921-T925 HydrophobicContact CG-CG2 3.72Å; E921-T925 PolarHBondContact O-N 3.23Å; E921-T925 PolarHBondContact O-OG1 3.23Å; T925-L927 PolarHBondContact O-N 2.91Å
926	N	85.4	Confident	88	Confident	40 Å²	40	27.1 Å²	27.1	21%	0.214	16%	0.156	C	C	.	.			trans	-63.7	125.6	173.6	-173.8	-21.5	0	0	0	110.7	Y867 A928 Q962	Y867-N926 HydrophobicContact CD1-CB 4.25Å; Y867-N926 HydrophobicContact CD2-CB 3.83Å; Y867-N926 HydrophobicContact CE1-CB 4.19Å; Y867-N926 HydrophobicContact CE2-CB 3.77Å; Y867-N926 HydrophobicContact CG-CB 4.07Å; N926-A928 WeakPolarHBondContact OD1-CB 3.39Å; N926-A928 PolarHBondContact OD1-N 2.99Å; N926-Q962 PolarHBondContact ND2-OE1 2.71Å
927	L	88.8	Confident	87.9	Confident	4 Å²	4	24.6 Å²	24.6	2%	0.021	14%	0.138	C	C	.	.			trans	-93	-2.2	-175.3	-61.4	177.3	0	0	0	114.7	I694 I922 T925 S929 T930 V931 P951 T955 A959	I694-L927 HydrophobicContact CG2-CD2 4.37Å; I922-L927 HydrophobicContact CG1-CD2 3.75Å; T925-L927 PolarHBondContact O-N 2.91Å; L927-S929 VanDerWaalsContact C-N 3.33Å; L927-S929 PolarHBondContact O-N 2.97Å; L927-T930 CarbonylContact O-C 3.57Å; L927-T930 WeakPolarHBondContact O-CA 3.39Å; L927-T930 WeakPolarHBondContact O-CB 3.48Å; L927-T930 PolarHBondContact O-N 3.27Å; L927-V931 HydrophobicContact CB-CG2 4.11Å; L927-V931 WeakPolarHBondContact O-CG2 3.43Å; L927-V931 PolarHBondContact O-N 3.08Å; L927-P951 HydrophobicContact CD1-CB 3.45Å; L927-P951 VanDerWaalsContact CD1-CB 3.45Å; L927-P951 HydrophobicContact CD1-CG 4.05Å; L927-T955 HydrophobicContact CD1-CG2 3.91Å; L927-T955 HydrophobicContact CG-CG2 3.95Å; L927-A959 HydrophobicContact CB-CB 4.13Å
928	A	89.7	Confident	87.9	Confident	3 Å²	3	24.4 Å²	24.4	3%	0.025	15%	0.147	C	C	.	.	H	α-helix	trans	-54.8	-40.6	-172.2	0	0	0	0	0	114.4	N926 L932 A959 L963 P989	N926-A928 WeakPolarHBondContact OD1-CB 3.39Å; N926-A928 PolarHBondContact OD1-N 2.99Å; A928-L932 VanDerWaalsContact O-CB 3.28Å; A928-L932 WeakPolarHBondContact O-CB 3.41Å; A928-L932 PolarHBondContact O-N 3.2Å; A928-L932 VanDerWaalsContact O-N 3.08Å; A928-A959 HydrophobicContact CB-CB 4.35Å; A928-L963 HydrophobicContact CB-CG 4.48Å; A928-P989 HydrophobicContact CB-CG 4.38Å
929	S	89.6	Confident	88.1	Confident	48 Å²	48	23.6 Å²	23.6	34%	0.336	14%	0.143	S	C	.	.	H	α-helix	trans	-67.7	-34.4	175	55.2	0	0	0	0	113	L927 S933	L927-S929 VanDerWaalsContact C-N 3.33Å; L927-S929 PolarHBondContact O-N 2.97Å; S929-S933 PolarHBondContact O-N 3.06Å; S929-S933 VanDerWaalsContact O-N 3.16Å; S929-S933 PolarHBondContact O-OG 3.3Å
930	T	89.4	Confident	87.9	Confident	4 Å²	4	26.5 Å²	26.5	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-76.5	-44.1	-179.8	-64.4	0	0	0	0	111.5	I694 V698 L927 L932 S933 L934	I694-T930 HydrophobicContact CG2-CG2 4Å; I694-T930 VanDerWaalsContact CG2-OG1 3.29Å; I694-T930 WeakPolarHBondContact CG2-OG1 3.48Å; V698-T930 HydrophobicContact CG2-CG2 3.59Å; L927-T930 CarbonylContact O-C 3.57Å; L927-T930 WeakPolarHBondContact O-CA 3.39Å; L927-T930 WeakPolarHBondContact O-CB 3.48Å; L927-T930 PolarHBondContact O-N 3.27Å; T930-L932 VanDerWaalsContact C-N 3.34Å; T930-L932 PolarHBondContact O-N 2.89Å; T930-S933 WeakPolarHBondContact O-CB 3.07Å; T930-S933 PolarHBondContact O-N 3.3Å; T930-S933 VanDerWaalsContact O-N 3.15Å; T930-L934 HydrophobicContact CG2-CD1 4.04Å; T930-L934 WeakPolarHBondContact O-CG 3.42Å; T930-L934 PolarHBondContact O-N 3.07Å
931	V	91.6	Very high	87.7	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-43.2	174	171.1	0	0	0	0	110.8	L927 S933 L934 K935 L942 L956 A959 M960 L963	L927-V931 HydrophobicContact CB-CG2 4.11Å; L927-V931 WeakPolarHBondContact O-CG2 3.43Å; L927-V931 PolarHBondContact O-N 3.08Å; V931-S933 VanDerWaalsContact C-N 3.31Å; V931-S933 PolarHBondContact O-N 3.11Å; V931-L934 PolarHBondContact O-N 2.84Å; V931-K935 HydrophobicContact CG1-CG 4.5Å; V931-K935 WeakPolarHBondContact O-CB 3.4Å; V931-K935 WeakPolarHBondContact O-CG 3.39Å; V931-K935 PolarHBondContact O-N 3.17Å; V931-L942 HydrophobicContact CG1-CD1 3.74Å; V931-L942 HydrophobicContact CG2-CD1 4.48Å; V931-L956 HydrophobicContact CG2-CD1 3.77Å; V931-A959 HydrophobicContact CG2-CB 4.06Å; V931-M960 HydrophobicContact CG1-CG 3.96Å; V931-L963 HydrophobicContact CB-CD1 3.85Å; V931-L963 HydrophobicContact CG1-CD1 3.5Å
932	L	91.9	Very high	87.6	Confident	5 Å²	5	27.1 Å²	27.1	3%	0.026	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-42.1	174.1	179.9	60.8	0	0	0	111.8	A928 T930 A936 L963 L975 M982 A983 P989	A928-L932 VanDerWaalsContact O-CB 3.28Å; A928-L932 WeakPolarHBondContact O-CB 3.41Å; A928-L932 PolarHBondContact O-N 3.2Å; A928-L932 VanDerWaalsContact O-N 3.08Å; T930-L932 VanDerWaalsContact C-N 3.34Å; T930-L932 PolarHBondContact O-N 2.89Å; L932-A936 WeakPolarHBondContact O-CB 3.16Å; L932-A936 PolarHBondContact O-N 3Å; L932-L963 HydrophobicContact CB-CD1 4.07Å; L932-L963 HydrophobicContact CB-CD2 3.94Å; L932-L963 HydrophobicContact CD1-CD2 4.37Å; L932-L963 HydrophobicContact CD2-CD2 4.36Å; L932-L963 HydrophobicContact CG-CD2 4.45Å; L932-L975 HydrophobicContact CD1-CD1 3.59Å; L932-M982 HydrophobicContact CD2-CB 4Å; L932-A983 HydrophobicContact CD1-CB 4.27Å; L932-A983 HydrophobicContact CD2-CB 4.49Å; L932-A983 HydrophobicContact CG-CB 3.98Å; L932-P989 HydrophobicContact CD2-CB 4.3Å; L932-P989 HydrophobicContact CD2-CG 3.93Å
933	S	89.1	Confident	87.2	Confident	25 Å²	25	32.9 Å²	32.9	18%	0.175	19%	0.193	C	C	.	.	H	α-helix	trans	-66.5	-46	177.3	-57	0	0	0	0	112.1	L673 S929 T930 V931 A936 M937	L673-S933 WeakPolarHBondContact CD2-O 3.43Å; S929-S933 PolarHBondContact O-N 3.06Å; S929-S933 VanDerWaalsContact O-N 3.16Å; S929-S933 PolarHBondContact O-OG 3.3Å; T930-S933 WeakPolarHBondContact O-CB 3.07Å; T930-S933 PolarHBondContact O-N 3.3Å; T930-S933 VanDerWaalsContact O-N 3.15Å; V931-S933 VanDerWaalsContact C-N 3.31Å; V931-S933 PolarHBondContact O-N 3.11Å; S933-A936 WeakPolarHBondContact O-CB 3.49Å; S933-A936 PolarHBondContact O-N 3.48Å; S933-M937 WeakPolarHBondContact O-CG 3.29Å; S933-M937 PolarHBondContact O-N 3.15Å
934	L	89.6	Confident	86.8	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-46.5	177.4	-73	166.8	0	0	0	111.7	V698 T930 V931 A936 M937 G938 I939 L942 F945 F947	V698-L934 HydrophobicContact CG1-CD2 3.87Å; T930-L934 HydrophobicContact CG2-CD1 4.04Å; T930-L934 WeakPolarHBondContact O-CG 3.42Å; T930-L934 PolarHBondContact O-N 3.07Å; V931-L934 PolarHBondContact O-N 2.84Å; L934-A936 VanDerWaalsContact C-N 3.29Å; L934-A936 PolarHBondContact O-N 2.91Å; L934-M937 WeakPolarHBondContact O-CB 3.48Å; L934-M937 PolarHBondContact O-N 3.47Å; L934-M937 VanDerWaalsContact O-N 3.13Å; L934-G938 PolarHBondContact O-N 2.97Å; L934-I939 HydrophobicContact CB-CB 4.41Å; L934-I939 HydrophobicContact CD2-CD1 3.63Å; L934-I939 WeakPolarHBondContact O-CB 3.47Å; L934-I939 PolarHBondContact O-N 2.77Å; L934-L942 HydrophobicContact CB-CD2 3.69Å; L934-L942 HydrophobicContact CD1-CD2 3.84Å; L934-L942 HydrophobicContact CG-CD2 4.37Å; L934-F945 HydrophobicContact CD2-CE2 4.34Å; L934-F945 HydrophobicContact CD2-CZ 4.3Å; L934-F947 HydrophobicContact CD1-CZ 4.11Å
935	K	89.8	Confident	86.8	Confident	14 Å²	14	33.6 Å²	33.6	6%	0.061	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-35.3	174.8	-72	-80.2	-176.9	170.5	0	111.8	V931 M937 G938 N940 L942 L969 G973 L975	V931-K935 HydrophobicContact CG1-CG 4.5Å; V931-K935 WeakPolarHBondContact O-CB 3.4Å; V931-K935 WeakPolarHBondContact O-CG 3.39Å; V931-K935 PolarHBondContact O-N 3.17Å; K935-M937 VanDerWaalsContact C-N 3.34Å; K935-G938 PolarHBondContact O-N 3.13Å; K935-N940 PolarHBondContact NZ-O 2.92Å; K935-L942 HydrophobicContact CG-CD1 4.47Å; K935-L969 HydrophobicContact CD-CD2 4.44Å; K935-L969 HydrophobicContact CG-CD2 4.3Å; K935-G973 WeakPolarHBondContact CE-O 3.41Å; K935-G973 PolarHBondContact NZ-O 2.65Å; K935-L975 HydrophobicContact CB-CD1 4.38Å
936	A	89.1	Confident	86.7	Confident	34 Å²	34	35.7 Å²	35.7	28%	0.281	22%	0.218	S	C	.	.	H	α-helix	trans	-68.4	-29	174.7	0	0	0	0	0	113.8	L673 L932 S933 L934 G938 L975 A983	L673-A936 HydrophobicContact CD2-CB 3.83Å; L932-A936 WeakPolarHBondContact O-CB 3.16Å; L932-A936 PolarHBondContact O-N 3Å; S933-A936 WeakPolarHBondContact O-CB 3.49Å; S933-A936 PolarHBondContact O-N 3.48Å; L934-A936 VanDerWaalsContact C-N 3.29Å; L934-A936 PolarHBondContact O-N 2.91Å; A936-G938 PolarHBondContact O-N 3.12Å; A936-L975 HydrophobicContact CB-CD2 3.83Å; A936-A983 HydrophobicContact CB-CB 3.49Å; A936-A983 VanDerWaalsContact CB-CB 3.49Å
937	M	85.7	Confident	86.8	Confident	39 Å²	39	34.9 Å²	34.9	19%	0.192	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-0.8	169	-62.5	176.1	179.5	0	0	113.6	L669 C672 L673 L702 S933 L934 K935 I939	L669-M937 HydrophobicContact CD1-CE 3.74Å; L669-M937 HydrophobicContact CG-CE 4.19Å; L669-M937 VanDerWaalsContact O-CE 3.3Å; L669-M937 WeakPolarHBondContact O-CE 3.34Å; C672-M937 HydrophobicContact CB-CE 3.75Å; L673-M937 HydrophobicContact CD2-CE 3.75Å; L673-M937 HydrophobicContact CD2-CG 3.6Å; L673-M937 HydrophobicContact CG-CE 3.68Å; L673-M937 HydrophobicContact CG-CG 4.45Å; L702-M937 HydrophobicContact CD1-CE 3.85Å; L702-M937 HydrophobicContact CD1-SD 3.52Å; L702-M937 VanDerWaalsContact CD1-SD 3.52Å; L702-M937 HydrophobicContact CD2-SD 3.58Å; L702-M937 VanDerWaalsContact CD2-SD 3.58Å; L702-M937 HydrophobicContact CG-SD 4.21Å; S933-M937 WeakPolarHBondContact O-CG 3.29Å; S933-M937 PolarHBondContact O-N 3.15Å; L934-M937 WeakPolarHBondContact O-CB 3.48Å; L934-M937 PolarHBondContact O-N 3.47Å; L934-M937 VanDerWaalsContact O-N 3.13Å; K935-M937 VanDerWaalsContact C-N 3.34Å; M937-I939 HydrophobicContact CB-CD1 4.14Å; M937-I939 HydrophobicContact CB-CG1 4.44Å
938	G	84.8	Confident	86.7	Confident	51 Å²	51	35.7 Å²	35.7	53%	0.526	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	12.6	-176.6	0	0	0	0	0	114.6	L934 K935 A936 N940	L934-G938 PolarHBondContact O-N 2.97Å; K935-G938 PolarHBondContact O-N 3.13Å; A936-G938 PolarHBondContact O-N 3.12Å; G938-N940 PolarHBondContact O-N 2.99Å
939	I	86.4	Confident	86.6	Confident	27 Å²	27	37.2 Å²	37.2	14%	0.138	22%	0.224	C	C	.	.			trans	-81	89.6	175.6	-61.7	159.5	0	0	0	107.8	L702 L934 M937 D941 L942 F945	L702-I939 HydrophobicContact CD2-CD1 3.63Å; L934-I939 HydrophobicContact CB-CB 4.41Å; L934-I939 HydrophobicContact CD2-CD1 3.63Å; L934-I939 WeakPolarHBondContact O-CB 3.47Å; L934-I939 PolarHBondContact O-N 2.77Å; M937-I939 HydrophobicContact CB-CD1 4.14Å; M937-I939 HydrophobicContact CB-CG1 4.44Å; I939-D941 VanDerWaalsContact CG2-O 3.27Å; I939-D941 WeakPolarHBondContact CG2-O 3.25Å; I939-L942 HydrophobicContact CG2-CD2 4.14Å; I939-F945 HydrophobicContact CD1-CD2 4.14Å; I939-F945 HydrophobicContact CD1-CE2 3.63Å; I939-F945 HydrophobicContact CG1-CE2 4.43Å; I939-F945 HydrophobicContact CG2-CD2 3.67Å; I939-F945 HydrophobicContact CG2-CE2 4.31Å; I939-F945 HydrophobicContact CG2-CG 4.48Å
940	N	82.3	Confident	86.4	Confident	85 Å²	85	37.9 Å²	37.9	46%	0.455	23%	0.232	S	C	.	.			trans	-78.7	-38.9	-176.4	-71.9	-20.4	0	0	0	112.9	K935 G938 L974	K935-N940 PolarHBondContact NZ-O 2.92Å; G938-N940 PolarHBondContact O-N 2.99Å; N940-L974 HydrophobicContact CB-CD2 4.46Å
941	D	83.1	Confident	86.3	Confident	86 Å²	86	38.4 Å²	38.4	46%	0.46	24%	0.236	S	C	.	.			trans	-89	119.1	170.1	-167.4	-22	0	0	0	109.6	I939 L943 S944	I939-D941 VanDerWaalsContact CG2-O 3.27Å; I939-D941 WeakPolarHBondContact CG2-O 3.25Å; D941-L943 PolarHBondContact OD1-N 3.02Å; D941-S944 PolarHBondContact OD1-N 2.92Å; D941-S944 WeakPolarHBondContact OD2-CB 3.28Å; D941-S944 PolarHBondContact OD2-OG 2.89Å
942	L	83.1	Confident	86	Confident	7 Å²	7	39.9 Å²	39.9	4%	0.037	25%	0.245	C	C	.	.	S	Bend	trans	-104.6	-15.4	-179.6	-61.1	167.7	0	0	0	112.1	V931 L934 K935 I939 L956 M960	V931-L942 HydrophobicContact CG1-CD1 3.74Å; V931-L942 HydrophobicContact CG2-CD1 4.48Å; L934-L942 HydrophobicContact CB-CD2 3.69Å; L934-L942 HydrophobicContact CD1-CD2 3.84Å; L934-L942 HydrophobicContact CG-CD2 4.37Å; K935-L942 HydrophobicContact CG-CD1 4.47Å; I939-L942 HydrophobicContact CG2-CD2 4.14Å; L942-L956 HydrophobicContact CB-CD1 4.2Å; L942-L956 HydrophobicContact CB-CD2 4.01Å; L942-L956 HydrophobicContact CD1-CD1 4.33Å; L942-M960 HydrophobicContact CD1-CG 4.41Å; L942-M960 HydrophobicContact CD1-SD 3.9Å
943	L	80.4	Confident	85.6	Confident	122 Å²	122	45.6 Å²	45.6	64%	0.639	27%	0.273	S	S	*	.	S	Bend	trans	-85.1	-36.2	178.3	-68.7	168.4	0	0	0	110.5	D941 F945 M953 L956	D941-L943 PolarHBondContact OD1-N 3.02Å; L943-F945 VanDerWaalsContact C-N 3.27Å; L943-F945 PolarHBondContact O-N 3.23Å; L943-M953 HydrophobicContact CD2-CG 4.05Å; L943-M953 HydrophobicContact CD2-SD 4.36Å; L943-L956 HydrophobicContact CD2-CD2 3.71Å; L943-L956 HydrophobicContact CG-CD2 4.16Å
944	S	80.9	Confident	85.3	Confident	86 Å²	86	45.2 Å²	45.2	60%	0.601	27%	0.269	S	S	*	.	S	Bend	trans	-85.6	10.1	171.5	97.7	0	0	0	0	113.4	D941	D941-S944 PolarHBondContact OD1-N 2.92Å; D941-S944 WeakPolarHBondContact OD2-CB 3.28Å; D941-S944 PolarHBondContact OD2-OG 2.89Å
945	F	85.4	Confident	85.1	Confident	11 Å²	11	45.5 Å²	45.5	5%	0.048	27%	0.271	C	S	.	.	S	Bend	trans	-76.2	134.9	177.6	-171.8	-90.9	0	0	0	110.8	L702 L934 I939 L943 F947	L702-F945 HydrophobicContact CG-CZ 4.49Å; L934-F945 HydrophobicContact CD2-CE2 4.34Å; L934-F945 HydrophobicContact CD2-CZ 4.3Å; I939-F945 HydrophobicContact CD1-CD2 4.14Å; I939-F945 HydrophobicContact CD1-CE2 3.63Å; I939-F945 HydrophobicContact CG1-CE2 4.43Å; I939-F945 HydrophobicContact CG2-CD2 3.67Å; I939-F945 HydrophobicContact CG2-CE2 4.31Å; I939-F945 HydrophobicContact CG2-CG 4.48Å; L943-F945 VanDerWaalsContact C-N 3.27Å; L943-F945 PolarHBondContact O-N 3.23Å; F945-F947 HydrophobicContact CB-CD2 4.19Å; F945-F947 HydrophobicContact CB-CE2 3.83Å; F945-F947 HydrophobicContact CB-CZ 4.32Å; F945-F947 AromaticContact CD1-CD1 3.67Å; F945-F947 HydrophobicContact CD1-CD1 3.67Å; F945-F947 AromaticContact CD1-CD2 3.77Å; F945-F947 HydrophobicContact CD1-CD2 3.77Å; F945-F947 AromaticContact CD1-CE1 3.51Å; F945-F947 HydrophobicContact CD1-CE1 3.51Å; F945-F947 AromaticContact CD1-CE2 3.64Å; F945-F947 HydrophobicContact CD1-CE2 3.64Å; F945-F947 AromaticContact CD1-CG 3.79Å; F945-F947 HydrophobicContact CD1-CG 3.79Å; F945-F947 AromaticContact CD1-CZ 3.51Å; F945-F947 HydrophobicContact CD1-CZ 3.51Å; F945-F947 AromaticContact CE1-CD1 3.9Å; F945-F947 HydrophobicContact CE1-CD1 3.9Å; F945-F947 AromaticContact CE1-CE1 3.76Å; F945-F947 HydrophobicContact CE1-CE1 3.76Å; F945-F947 HydrophobicContact CE1-CG 4.4Å; F945-F947 HydrophobicContact CE1-CZ 4.17Å; F945-F947 HydrophobicContact CG-CD2 4.48Å; F945-F947 HydrophobicContact CG-CE2 4.15Å; F945-F947 HydrophobicContact CG-CZ 4.2Å; F945-F947 WeakPolarHBondContact O-CD2 3.42Å; F945-F947 PolarHBondContact O-N 3.37Å
946	D	85.6	Confident	85	Confident	53 Å²	53	45.3 Å²	45.3	28%	0.283	27%	0.27	S	S	.	.			trans	-76.2	66.4	-172.8	-172	-3.5	0	0	0	111.3	K704 Y730	K704-D946 VanDerWaalsContact CD-OD2 3.31Å; K704-D946 WeakPolarHBondContact CD-OD2 3.21Å; K704-D946 WeakPolarHBondContact CE-OD2 3.49Å; K704-D946 IonicContact NZ-OD1 2.63Å; K704-D946 PolarHBondContact NZ-OD1 2.65Å; K704-D946 IonicContact NZ-OD2 3.44Å; K704-D946 PolarHBondContact NZ-OD2 2.62Å; Y730-D946 VanDerWaalsContact CE2-OD1 3.22Å; Y730-D946 WeakPolarHBondContact CE2-OD1 3.42Å; Y730-D946 PolarHBondContact OH-O 3.01Å
947	F	87.8	Confident	84.9	Confident	24 Å²	24	44.9 Å²	44.9	11%	0.105	26%	0.263	C	S	.	.			trans	-76.6	138.8	170	-64.4	-70	0	0	0	110.3	V698 I922 L934 F945 D949 A950 P951	V698-F947 HydrophobicContact CG2-CE1 4.3Å; I922-F947 HydrophobicContact CD1-CD1 3.65Å; I922-F947 HydrophobicContact CD1-CE1 3.44Å; I922-F947 VanDerWaalsContact CD1-CE1 3.44Å; I922-F947 HydrophobicContact CD1-CZ 4.19Å; L934-F947 HydrophobicContact CD1-CZ 4.11Å; F945-F947 HydrophobicContact CB-CD2 4.19Å; F945-F947 HydrophobicContact CB-CE2 3.83Å; F945-F947 HydrophobicContact CB-CZ 4.32Å; F945-F947 AromaticContact CD1-CD1 3.67Å; F945-F947 HydrophobicContact CD1-CD1 3.67Å; F945-F947 AromaticContact CD1-CD2 3.77Å; F945-F947 HydrophobicContact CD1-CD2 3.77Å; F945-F947 AromaticContact CD1-CE1 3.51Å; F945-F947 HydrophobicContact CD1-CE1 3.51Å; F945-F947 AromaticContact CD1-CE2 3.64Å; F945-F947 HydrophobicContact CD1-CE2 3.64Å; F945-F947 AromaticContact CD1-CG 3.79Å; F945-F947 HydrophobicContact CD1-CG 3.79Å; F945-F947 AromaticContact CD1-CZ 3.51Å; F945-F947 HydrophobicContact CD1-CZ 3.51Å; F945-F947 AromaticContact CE1-CD1 3.9Å; F945-F947 HydrophobicContact CE1-CD1 3.9Å; F945-F947 AromaticContact CE1-CE1 3.76Å; F945-F947 HydrophobicContact CE1-CE1 3.76Å; F945-F947 HydrophobicContact CE1-CG 4.4Å; F945-F947 HydrophobicContact CE1-CZ 4.17Å; F945-F947 HydrophobicContact CG-CD2 4.48Å; F945-F947 HydrophobicContact CG-CE2 4.15Å; F945-F947 HydrophobicContact CG-CZ 4.2Å; F945-F947 WeakPolarHBondContact O-CD2 3.42Å; F945-F947 PolarHBondContact O-N 3.37Å; F947-D949 VanDerWaalsContact C-N 3.26Å; F947-D949 PolarHBondContact O-N 2.76Å; F947-A950 HydrophobicContact CB-CB 4.44Å; F947-P951 HydrophobicContact CD2-CG 4.42Å; F947-P951 HydrophobicContact CE2-CG 4.13Å
948	M	85.8	Confident	84.8	Confident	20 Å²	20	43.9 Å²	43.9	10%	0.099	26%	0.259	C	S	.	.	S	Bend	trans	-64.1	-33.1	173.2	-177.2	-175.5	-66.1	0	0	112.6	F700 K726 F727 Y730	F700-M948 HydrophobicContact CD2-CE 3.89Å; F700-M948 HydrophobicContact CE2-CE 4.08Å; K726-M948 HydrophobicContact CD-SD 4.43Å; K726-M948 HydrophobicContact CG-CG 4.5Å; K726-M948 HydrophobicContact CG-SD 4.38Å; F727-M948 HydrophobicContact CD1-CE 3.6Å; F727-M948 HydrophobicContact CD1-SD 4.36Å; F727-M948 HydrophobicContact CE1-CE 3.87Å; F727-M948 HydrophobicContact CE1-SD 4.25Å; F727-M948 HydrophobicContact CG-CE 4.39Å; Y730-M948 HydrophobicContact CD1-CE 3.64Å; Y730-M948 HydrophobicContact CD2-CB 3.75Å; Y730-M948 HydrophobicContact CD2-CE 4.41Å; Y730-M948 HydrophobicContact CD2-CG 4.03Å; Y730-M948 HydrophobicContact CE1-CE 4.31Å; Y730-M948 HydrophobicContact CE2-CB 3.86Å; Y730-M948 HydrophobicContact CG-CB 4.18Å; Y730-M948 HydrophobicContact CG-CE 3.69Å; Y730-M948 HydrophobicContact CG-CG 4.16Å
949	D	86.4	Confident	85	Confident	36 Å²	36	41.4 Å²	41.4	19%	0.193	23%	0.234	C	C	.	.	S	Bend	trans	-139.4	111.1	168.4	-70.3	-71.8	0	0	0	106.8	R692 K726 P920 F947	R692-D949 IonicContact CZ-OD2 3.82Å; R692-D949 VanDerWaalsContact CZ-OD2 3.26Å; R692-D949 IonicContact NH1-OD2 3.81Å; R692-D949 PolarHBondContact NH1-OD2 3.04Å; R692-D949 IonicContact NH2-OD2 2.98Å; R692-D949 PolarHBondContact NH2-OD2 3.14Å; K726-D949 IonicContact NZ-OD1 2.6Å; K726-D949 PolarHBondContact NZ-OD1 2.81Å; K726-D949 IonicContact NZ-OD2 2.67Å; K726-D949 PolarHBondContact NZ-OD2 2.8Å; P920-D949 HydrophobicContact CG-CB 3.85Å; F947-D949 VanDerWaalsContact C-N 3.26Å; F947-D949 PolarHBondContact O-N 2.76Å
950	A	86.5	Confident	85.1	Confident	61 Å²	61	41.3 Å²	41.3	50%	0.504	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-67.3	145.9	-174.8	0	0	0	0	0	112.2	Q923 F947	Q923-A950 PolarHBondContact NE2-O 2.88Å; F947-A950 HydrophobicContact CB-CB 4.44Å
951	P	87.3	Confident	85.3	Confident	16 Å²	16	39.4 Å²	39.4	10%	0.104	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-67.4	157.5	170.3	28.3	-33.8	0	0	0	111.8	I922 L927 F947 M953	I922-P951 HydrophobicContact CG1-CB 4.33Å; L927-P951 HydrophobicContact CD1-CB 3.45Å; L927-P951 VanDerWaalsContact CD1-CB 3.45Å; L927-P951 HydrophobicContact CD1-CG 4.05Å; F947-P951 HydrophobicContact CD2-CG 4.42Å; F947-P951 HydrophobicContact CE2-CG 4.13Å; P951-M953 PolarHBondContact O-N 3.2Å
952	P	85.9	Confident	85.5	Confident	32 Å²	32	36 Å²	36	21%	0.208	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-60.2	137.1	170.6	-19	31.1	0	0	0	111.2	V464 E954 T955 L956	V464-P952 HydrophobicContact CG2-CB 4.29Å; V464-P952 HydrophobicContact CG2-CG 3.33Å; P952-E954 PolarHBondContact O-N 2.79Å; P952-T955 PolarHBondContact O-N 3.45Å; P952-L956 PolarHBondContact O-N 3.45Å; P952-L956 VanDerWaalsContact O-N 3.14Å
953	M	83.4	Confident	85.8	Confident	125 Å²	125	35.6 Å²	35.6	62%	0.616	20%	0.201	S	C	*	.	H	α-helix	trans	-59.1	-34.9	178	-65.2	-174.2	-68.6	0	0	112.2	L943 P951 L956 I957	L943-M953 HydrophobicContact CD2-CG 4.05Å; L943-M953 HydrophobicContact CD2-SD 4.36Å; P951-M953 PolarHBondContact O-N 3.2Å; M953-L956 PolarHBondContact O-N 3.45Å; M953-I957 WeakPolarHBondContact O-CB 3.39Å; M953-I957 WeakPolarHBondContact O-CD1 3.5Å; M953-I957 WeakPolarHBondContact O-CG1 3.47Å; M953-I957 PolarHBondContact O-N 3.16Å
954	E	82.3	Confident	86.2	Confident	17 Å²	17	32.3 Å²	32.3	8%	0.079	18%	0.18	C	C	.	.	H	α-helix	trans	-57.1	-53.3	174.8	-173.9	-171.7	137.6	0	0	111.4	S869 K870 P952 L956 I957 T958	S869-E954 VanDerWaalsContact CB-OE1 3.3Å; S869-E954 WeakPolarHBondContact CB-OE1 3.42Å; S869-E954 VanDerWaalsContact OG-CD 3.23Å; S869-E954 PolarHBondContact OG-OE1 2.77Å; K870-E954 WeakPolarHBondContact CE-OE1 3.31Å; K870-E954 WeakPolarHBondContact CE-OE2 3.46Å; K870-E954 WeakPolarHBondContact CG-OE1 3.35Å; P952-E954 PolarHBondContact O-N 2.79Å; E954-L956 VanDerWaalsContact C-N 3.26Å; E954-L956 PolarHBondContact O-N 3.47Å; E954-I957 PolarHBondContact O-N 2.78Å; E954-I957 VanDerWaalsContact O-N 3.16Å; E954-T958 PolarHBondContact O-N 2.92Å; E954-T958 PolarHBondContact O-OG1 3.28Å; E954-T958 VanDerWaalsContact O-OG1 3.12Å
955	T	85.6	Confident	86.4	Confident	9 Å²	9	29.5 Å²	29.5	6%	0.055	16%	0.16	C	C	.	.	H	α-helix	trans	-62.1	-34	179.3	-44.7	0	0	0	0	112.3	Y867 L927 P952 A959	Y867-T955 HydrophobicContact CD1-CG2 3.95Å; Y867-T955 HydrophobicContact CE1-CG2 4.07Å; L927-T955 HydrophobicContact CD1-CG2 3.91Å; L927-T955 HydrophobicContact CG-CG2 3.95Å; P952-T955 PolarHBondContact O-N 3.45Å; T955-A959 VanDerWaalsContact O-CB 3.25Å; T955-A959 WeakPolarHBondContact O-CB 3.38Å; T955-A959 PolarHBondContact O-N 3.34Å; T955-A959 VanDerWaalsContact O-N 3.12Å
956	L	87.4	Confident	86.6	Confident	10 Å²	10	29.2 Å²	29.2	5%	0.052	16%	0.158	C	C	.	.	H	α-helix	trans	-68.8	-43.7	174.9	-167.5	73	0	0	0	112	V931 L942 L943 P952 M953 E954 A959 M960	V931-L956 HydrophobicContact CG2-CD1 3.77Å; L942-L956 HydrophobicContact CB-CD1 4.2Å; L942-L956 HydrophobicContact CB-CD2 4.01Å; L942-L956 HydrophobicContact CD1-CD1 4.33Å; L943-L956 HydrophobicContact CD2-CD2 3.71Å; L943-L956 HydrophobicContact CG-CD2 4.16Å; P952-L956 PolarHBondContact O-N 3.45Å; P952-L956 VanDerWaalsContact O-N 3.14Å; M953-L956 PolarHBondContact O-N 3.45Å; E954-L956 VanDerWaalsContact C-N 3.26Å; E954-L956 PolarHBondContact O-N 3.47Å; L956-A959 PolarHBondContact O-N 3.46Å; L956-M960 WeakPolarHBondContact O-CG 3.38Å; L956-M960 PolarHBondContact O-N 2.93Å
957	I	86.2	Confident	86.6	Confident	25 Å²	25	28.2 Å²	28.2	13%	0.128	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-49.6	177.8	-70.2	163	0	0	0	110.5	L451 H454 M953 E954 A959 M960 E961	L451-I957 HydrophobicContact CD1-CG2 4.3Å; L451-I957 HydrophobicContact CD2-CG2 4.42Å; H454-I957 HydrophobicContact CB-CD1 4.19Å; M953-I957 WeakPolarHBondContact O-CB 3.39Å; M953-I957 WeakPolarHBondContact O-CD1 3.5Å; M953-I957 WeakPolarHBondContact O-CG1 3.47Å; M953-I957 PolarHBondContact O-N 3.16Å; E954-I957 PolarHBondContact O-N 2.78Å; E954-I957 VanDerWaalsContact O-N 3.16Å; I957-A959 VanDerWaalsContact C-N 3.26Å; I957-A959 PolarHBondContact O-N 2.94Å; I957-M960 PolarHBondContact O-N 2.87Å; I957-M960 VanDerWaalsContact O-N 3.09Å; I957-E961 WeakPolarHBondContact O-CB 3.34Å; I957-E961 PolarHBondContact O-N 2.9Å
958	T	85.3	Confident	86.8	Confident	18 Å²	18	27 Å²	27	11%	0.11	16%	0.156	C	C	.	.	H	α-helix	trans	-59.1	-37.8	176.8	-52.7	0	0	0	0	111.6	E954 Q962	E954-T958 PolarHBondContact O-N 2.92Å; E954-T958 PolarHBondContact O-OG1 3.28Å; E954-T958 VanDerWaalsContact O-OG1 3.12Å; T958-Q962 WeakPolarHBondContact O-CB 3.49Å; T958-Q962 PolarHBondContact O-N 3.2Å
959	A	88.9	Confident	87	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.3	-41.1	174.4	0	0	0	0	0	112.7	L927 A928 V931 T955 L956 I957 Q962 L963	L927-A959 HydrophobicContact CB-CB 4.13Å; A928-A959 HydrophobicContact CB-CB 4.35Å; V931-A959 HydrophobicContact CG2-CB 4.06Å; T955-A959 VanDerWaalsContact O-CB 3.25Å; T955-A959 WeakPolarHBondContact O-CB 3.38Å; T955-A959 PolarHBondContact O-N 3.34Å; T955-A959 VanDerWaalsContact O-N 3.12Å; L956-A959 PolarHBondContact O-N 3.46Å; I957-A959 VanDerWaalsContact C-N 3.26Å; I957-A959 PolarHBondContact O-N 2.94Å; A959-Q962 PolarHBondContact O-N 3.04Å; A959-L963 VanDerWaalsContact O-CG 3.25Å; A959-L963 WeakPolarHBondContact O-CG 3.36Å; A959-L963 PolarHBondContact O-N 2.67Å
960	M	88.4	Confident	87.1	Confident	25 Å²	25	27 Å²	27	12%	0.123	16%	0.156	C	C	.	.	H	α-helix	trans	-67.7	-39.7	175.6	-71.4	178.6	71.5	0	0	112.2	F450 V931 L942 L956 I957 L963 Y964 L969	F450-M960 HydrophobicContact CD2-CE 4.25Å; F450-M960 HydrophobicContact CE2-CB 4.39Å; F450-M960 HydrophobicContact CE2-CE 3.84Å; V931-M960 HydrophobicContact CG1-CG 3.96Å; L942-M960 HydrophobicContact CD1-CG 4.41Å; L942-M960 HydrophobicContact CD1-SD 3.9Å; L956-M960 WeakPolarHBondContact O-CG 3.38Å; L956-M960 PolarHBondContact O-N 2.93Å; I957-M960 PolarHBondContact O-N 2.87Å; I957-M960 VanDerWaalsContact O-N 3.09Å; M960-L963 PolarHBondContact O-N 3.4Å; M960-Y964 WeakPolarHBondContact O-CB 3.36Å; M960-Y964 PolarHBondContact O-N 3.48Å; M960-L969 HydrophobicContact CB-CD1 4.37Å
961	E	86	Confident	87.1	Confident	45 Å²	45	28.8 Å²	28.8	21%	0.21	16%	0.157	C	C	.	.	H	α-helix	trans	-61.6	-45.5	172.8	-177.7	-159.8	-114.9	0	0	111.8	L451 I957 L963 Y964 T965 R1115	L451-E961 HydrophobicContact CD1-CB 4.24Å; I957-E961 WeakPolarHBondContact O-CB 3.34Å; I957-E961 PolarHBondContact O-N 2.9Å; E961-L963 VanDerWaalsContact C-N 3.28Å; E961-L963 PolarHBondContact O-N 2.76Å; E961-Y964 PolarHBondContact O-N 2.97Å; E961-T965 WeakPolarHBondContact O-CG2 3.06Å; E961-T965 PolarHBondContact O-N 3.17Å; E961-T965 PolarHBondContact O-OG1 3.09Å; E961-R1115 IonicContact OE2-CZ 3.26Å; E961-R1115 IonicContact OE2-NH1 2.63Å; E961-R1115 PolarHBondContact OE2-NH1 3.41Å; E961-R1115 IonicContact OE2-NH2 3.75Å; E961-R1115 PolarHBondContact OE2-NH2 2.74Å; E961-R1115 VanDerWaalsContact OE2-NH2 3.15Å
962	Q	86.9	Confident	87	Confident	13 Å²	13	35.3 Å²	35.3	6%	0.061	19%	0.186	C	C	.	.	H	α-helix	trans	-59.4	-39.9	174.8	-171.1	177.9	9	0	0	111.4	N926 T958 A959 T965 L966	N926-Q962 PolarHBondContact ND2-OE1 2.71Å; T958-Q962 WeakPolarHBondContact O-CB 3.49Å; T958-Q962 PolarHBondContact O-N 3.2Å; A959-Q962 PolarHBondContact O-N 3.04Å; Q962-T965 WeakPolarHBondContact CA-OG1 3.32Å; Q962-T965 PolarHBondContact O-OG1 2.91Å; Q962-T965 VanDerWaalsContact O-OG1 3.09Å; Q962-L966 HydrophobicContact CG-CD1 4.23Å; Q962-L966 WeakPolarHBondContact O-CB 3.15Å; Q962-L966 WeakPolarHBondContact O-CD1 3.26Å; Q962-L966 WeakPolarHBondContact O-CG 3.46Å; Q962-L966 PolarHBondContact O-N 3.24Å; Q962-L966 VanDerWaalsContact O-N 3.09Å
963	L	89.7	Confident	87	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-73.3	-34	178.4	-70.6	173.7	0	0	0	113.5	A928 V931 L932 A959 M960 E961 G967 S968 L969 P989	A928-L963 HydrophobicContact CB-CG 4.48Å; V931-L963 HydrophobicContact CB-CD1 3.85Å; V931-L963 HydrophobicContact CG1-CD1 3.5Å; L932-L963 HydrophobicContact CB-CD1 4.07Å; L932-L963 HydrophobicContact CB-CD2 3.94Å; L932-L963 HydrophobicContact CD1-CD2 4.37Å; L932-L963 HydrophobicContact CD2-CD2 4.36Å; L932-L963 HydrophobicContact CG-CD2 4.45Å; A959-L963 VanDerWaalsContact O-CG 3.25Å; A959-L963 WeakPolarHBondContact O-CG 3.36Å; A959-L963 PolarHBondContact O-N 2.67Å; M960-L963 PolarHBondContact O-N 3.4Å; E961-L963 VanDerWaalsContact C-N 3.28Å; E961-L963 PolarHBondContact O-N 2.76Å; L963-G967 PolarHBondContact O-N 2.87Å; L963-S968 WeakPolarHBondContact CA-OG 3.38Å; L963-S968 VanDerWaalsContact CB-OG 3.31Å; L963-S968 WeakPolarHBondContact CB-OG 3.43Å; L963-S968 WeakPolarHBondContact CD2-OG 3.45Å; L963-S968 WeakPolarHBondContact O-CB 3.33Å; L963-S968 PolarHBondContact O-N 3.44Å; L963-S968 PolarHBondContact O-OG 3.18Å; L963-L969 HydrophobicContact CB-CD1 3.81Å; L963-L969 HydrophobicContact CB-CG 3.92Å; L963-L969 HydrophobicContact CD1-CD1 4.49Å; L963-L969 PolarHBondContact O-N 3.26Å; L963-P989 HydrophobicContact CD2-CB 3.91Å; L963-P989 HydrophobicContact CD2-CG 3.85Å
964	Y	88.8	Confident	87.2	Confident	53 Å²	53	30.8 Å²	30.8	21%	0.208	16%	0.162	C	C	.	.	H	α-helix	trans	-68.3	-49.4	173.4	172.4	-100.8	0	0	0	111.7	P448 F450 M960 E961 L966 G967	P448-Y964 HydrophobicContact CB-CD1 3.79Å; P448-Y964 HydrophobicContact CB-CE1 3.65Å; P448-Y964 HydrophobicContact CB-CE2 4.45Å; P448-Y964 HydrophobicContact CB-CG 4.25Å; P448-Y964 HydrophobicContact CG-CD1 3.51Å; P448-Y964 HydrophobicContact CG-CE1 3.58Å; P448-Y964 HydrophobicContact CG-CG 4.3Å; F450-Y964 AromaticContact CE1-CD2 3.63Å; F450-Y964 HydrophobicContact CE1-CD2 3.63Å; F450-Y964 HydrophobicContact CE1-CE2 4.13Å; F450-Y964 AromaticContact CE1-CG 3.98Å; F450-Y964 HydrophobicContact CE1-CG 3.98Å; F450-Y964 HydrophobicContact CZ-CD2 4.31Å; F450-Y964 HydrophobicContact CZ-CG 4.28Å; M960-Y964 WeakPolarHBondContact O-CB 3.36Å; M960-Y964 PolarHBondContact O-N 3.48Å; E961-Y964 PolarHBondContact O-N 2.97Å; Y964-L966 PolarHBondContact O-N 2.79Å; Y964-G967 WeakPolarHBondContact O-CA 3.37Å; Y964-G967 PolarHBondContact O-N 2.82Å
965	T	85.8	Confident	87.7	Confident	27 Å²	27	31.2 Å²	31.2	17%	0.166	17%	0.165	C	C	.	.	H	α-helix	trans	-62	-27.4	175.4	50.5	0	0	0	0	113	E961 Q962 G967 F1114 F1182	E961-T965 WeakPolarHBondContact O-CG2 3.06Å; E961-T965 PolarHBondContact O-N 3.17Å; E961-T965 PolarHBondContact O-OG1 3.09Å; Q962-T965 WeakPolarHBondContact CA-OG1 3.32Å; Q962-T965 PolarHBondContact O-OG1 2.91Å; Q962-T965 VanDerWaalsContact O-OG1 3.09Å; T965-G967 VanDerWaalsContact C-N 3.25Å; T965-G967 PolarHBondContact O-N 3.27Å; T965-F1114 VanDerWaalsContact O-CZ 3.27Å; T965-F1114 WeakPolarHBondContact O-CZ 3.4Å; T965-F1182 HydrophobicContact CG2-CD2 3.85Å; T965-F1182 HydrophobicContact CG2-CE2 4.36Å
966	L	87.6	Confident	88	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.021	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-12.3	169.1	-76.9	167.1	0	0	0	114.2	Q962 Y964 S968 M982 P989 M990 K993 F1114	Q962-L966 HydrophobicContact CG-CD1 4.23Å; Q962-L966 WeakPolarHBondContact O-CB 3.15Å; Q962-L966 WeakPolarHBondContact O-CD1 3.26Å; Q962-L966 WeakPolarHBondContact O-CG 3.46Å; Q962-L966 PolarHBondContact O-N 3.24Å; Q962-L966 VanDerWaalsContact O-N 3.09Å; Y964-L966 PolarHBondContact O-N 2.79Å; L966-S968 VanDerWaalsContact C-N 3.32Å; L966-M982 HydrophobicContact CB-CE 4.46Å; L966-P989 HydrophobicContact CD1-CB 3.53Å; L966-M990 HydrophobicContact CD1-CG 4.21Å; L966-M990 HydrophobicContact CD2-CG 4.1Å; L966-K993 HydrophobicContact CB-CD 4.33Å; L966-K993 HydrophobicContact CD2-CB 4.17Å; L966-K993 HydrophobicContact CD2-CD 3.51Å; L966-K993 HydrophobicContact CD2-CG 4.47Å; L966-K993 VanDerWaalsContact O-CD 3.29Å; L966-K993 WeakPolarHBondContact O-CD 3.26Å; L966-K993 VanDerWaalsContact O-CE 3.27Å; L966-K993 WeakPolarHBondContact O-CE 3.49Å; L966-F1114 HydrophobicContact CD2-CE1 4.02Å
967	G	87.5	Confident	88.1	Confident	32 Å²	32	41.5 Å²	41.5	33%	0.33	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	17.3	-173.4	0	0	0	0	0	113.9	L963 Y964 T965 T976	L963-G967 PolarHBondContact O-N 2.87Å; Y964-G967 WeakPolarHBondContact O-CA 3.37Å; Y964-G967 PolarHBondContact O-N 2.82Å; T965-G967 VanDerWaalsContact C-N 3.25Å; T965-G967 PolarHBondContact O-N 3.27Å; G967-T976 PolarHBondContact O-OG1 2.8Å
968	S	90.8	Very high	88.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-89.4	-26	178.9	71.9	0	0	0	0	113	L963 L966 L975 T976	L963-S968 WeakPolarHBondContact CA-OG 3.38Å; L963-S968 VanDerWaalsContact CB-OG 3.31Å; L963-S968 WeakPolarHBondContact CB-OG 3.43Å; L963-S968 WeakPolarHBondContact CD2-OG 3.45Å; L963-S968 WeakPolarHBondContact O-CB 3.33Å; L963-S968 PolarHBondContact O-N 3.44Å; L963-S968 PolarHBondContact O-OG 3.18Å; L966-S968 VanDerWaalsContact C-N 3.32Å; S968-L975 WeakPolarHBondContact O-CD1 3.47Å; S968-T976 PolarHBondContact O-N 2.82Å; S968-T976 PolarHBondContact O-OG1 3.37Å
969	L	91	Very high	88.6	Confident	4 Å²	4	42 Å²	42	2%	0.021	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-107.1	155.6	165.6	-60.2	176.2	0	0	0	110.7	K935 M960 L963 L974 L975 T976	K935-L969 HydrophobicContact CD-CD2 4.44Å; K935-L969 HydrophobicContact CG-CD2 4.3Å; M960-L969 HydrophobicContact CB-CD1 4.37Å; L963-L969 HydrophobicContact CB-CD1 3.81Å; L963-L969 HydrophobicContact CB-CG 3.92Å; L963-L969 HydrophobicContact CD1-CD1 4.49Å; L963-L969 PolarHBondContact O-N 3.26Å; L969-L974 CarbonylContact C-O 3.57Å; L969-L974 WeakPolarHBondContact CA-O 3.47Å; L969-L974 WeakPolarHBondContact CD2-O 3.24Å; L969-L975 HydrophobicContact CD2-CD1 4.24Å; L969-T976 VanDerWaalsContact C-CG2 3.45Å
970	D	88.9	Confident	88.6	Confident	51 Å²	51	49.9 Å²	49.9	27%	0.273	24%	0.238	S	C	.	.			trans	-99.8	-179	171.6	53.4	41.4	0	0	0	112.5	F450 E972 G973 L974 T976	F450-D970 WeakPolarHBondContact CE1-O 3.28Å; D970-E972 PolarHBondContact O-N 3.43Å; D970-E972 PolarHBondContact OD1-N 2.9Å; D970-E972 VanDerWaalsContact OD1-N 3.16Å; D970-G973 PolarHBondContact O-N 3.46Å; D970-G973 PolarHBondContact OD1-N 2.95Å; D970-L974 PolarHBondContact N-O 3.15Å; D970-L974 WeakPolarHBondContact OD1-CA 3.06Å; D970-L974 WeakPolarHBondContact OD1-CB 3.18Å; D970-L974 PolarHBondContact OD1-N 2.98Å; D970-T976 HydrophobicContact CB-CG2 4.05Å
971	D	86.2	Confident	88.6	Confident	99 Å²	99	52 Å²	52	53%	0.529	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.2	-179.5	-56.7	7.2	0	0	0	113.8	P449 F450	P449-D971 HydrophobicContact CG-CB 4.25Å; F450-D971 WeakPolarHBondContact CD1-O 3.27Å
972	E	84.9	Confident	88.9	Confident	153 Å²	153	50 Å²	50	72%	0.715	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-2.7	174.3	-60.7	-172.4	173.1	0	0	112.2	D970 L974	D970-E972 PolarHBondContact O-N 3.43Å; D970-E972 PolarHBondContact OD1-N 2.9Å; D970-E972 VanDerWaalsContact OD1-N 3.16Å; E972-L974 VanDerWaalsContact C-N 3.3Å; E972-L974 HydrophobicContact CB-CD1 4.4Å; E972-L974 HydrophobicContact CB-CG 4.27Å
973	G	84.4	Confident	89	Confident	2 Å²	2	49.8 Å²	49.8	2%	0.021	24%	0.236	C	C	.	.	S	Bend	trans	73.3	20	-175.5	0	0	0	0	0	113.8	K935 D970	K935-G973 WeakPolarHBondContact CE-O 3.41Å; K935-G973 PolarHBondContact NZ-O 2.65Å; D970-G973 PolarHBondContact O-N 3.46Å; D970-G973 PolarHBondContact OD1-N 2.95Å
974	L	89.3	Confident	88.8	Confident	59 Å²	59	53.5 Å²	53.5	31%	0.309	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-93.2	167.6	173.3	-60.9	178.2	0	0	0	110.8	N940 L969 D970 E972	N940-L974 HydrophobicContact CB-CD2 4.46Å; L969-L974 CarbonylContact C-O 3.57Å; L969-L974 WeakPolarHBondContact CA-O 3.47Å; L969-L974 WeakPolarHBondContact CD2-O 3.24Å; D970-L974 PolarHBondContact N-O 3.15Å; D970-L974 WeakPolarHBondContact OD1-CA 3.06Å; D970-L974 WeakPolarHBondContact OD1-CB 3.18Å; D970-L974 PolarHBondContact OD1-N 2.98Å; E972-L974 VanDerWaalsContact C-N 3.3Å; E972-L974 HydrophobicContact CB-CD1 4.4Å; E972-L974 HydrophobicContact CB-CG 4.27Å
975	L	91.9	Very high	88.7	Confident	27 Å²	27	51.3 Å²	51.3	14%	0.141	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-90.4	116.3	-170	-169.7	73.6	0	0	0	112.4	L932 K935 A936 S968 L969 R980	L932-L975 HydrophobicContact CD1-CD1 3.59Å; K935-L975 HydrophobicContact CB-CD1 4.38Å; A936-L975 HydrophobicContact CB-CD2 3.83Å; S968-L975 WeakPolarHBondContact O-CD1 3.47Å; L969-L975 HydrophobicContact CD2-CD1 4.24Å; L975-R980 HydrophobicContact CD2-CB 3.97Å; L975-R980 HydrophobicContact CD2-CG 4.43Å; L975-R980 HydrophobicContact CG-CB 4.45Å
976	T	92.4	Very high	88.7	Confident	32 Å²	32	51.1 Å²	51.1	20%	0.196	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-68.5	167.3	-178.3	77.3	0	0	0	0	112.5	G967 S968 L969 D970 L978 G979 R980	G967-T976 PolarHBondContact O-OG1 2.8Å; S968-T976 PolarHBondContact O-N 2.82Å; S968-T976 PolarHBondContact O-OG1 3.37Å; L969-T976 VanDerWaalsContact C-CG2 3.45Å; D970-T976 HydrophobicContact CB-CG2 4.05Å; T976-L978 PolarHBondContact O-N 3.11Å; T976-L978 PolarHBondContact OG1-N 2.64Å; T976-G979 PolarHBondContact O-N 2.81Å; T976-G979 VanDerWaalsContact O-N 3.11Å; T976-G979 PolarHBondContact OG1-N 3.19Å; T976-R980 PolarHBondContact O-N 3.39Å
977	R	89.5	Confident	88.7	Confident	203 Å²	203	51.6 Å²	51.6	77%	0.766	25%	0.246	S	C	*	.	H	α-helix	trans	-60.1	-26.3	171.3	-163.1	-175.9	74.6	171.5	0.7	112.6	R981	R977-R981 WeakPolarHBondContact O-CG 3.26Å
978	L	90.3	Very high	88.7	Confident	52 Å²	52	54.5 Å²	54.5	27%	0.272	25%	0.251	S	S	.	.	H	α-helix	trans	-74.7	-50.2	171.8	176.5	59.3	0	0	0	109.9	T976 R980 R981 M982 I996	T976-L978 PolarHBondContact O-N 3.11Å; T976-L978 PolarHBondContact OG1-N 2.64Å; L978-R980 PolarHBondContact O-N 2.92Å; L978-R981 WeakPolarHBondContact O-CB 3.31Å; L978-R981 PolarHBondContact O-N 2.9Å; L978-R981 VanDerWaalsContact O-N 3.1Å; L978-M982 HydrophobicContact CD1-CG 4.25Å; L978-M982 HydrophobicContact CD1-SD 4.14Å; L978-M982 HydrophobicContact CD2-SD 4.39Å; L978-M982 HydrophobicContact CG-CG 4.39Å; L978-M982 HydrophobicContact CG-SD 3.72Å; L978-M982 VanDerWaalsContact O-CG 3.31Å; L978-M982 WeakPolarHBondContact O-CG 3.36Å; L978-M982 PolarHBondContact O-N 3.12Å; L978-I996 HydrophobicContact CD1-CB 4.21Å; L978-I996 HydrophobicContact CD1-CD1 3.92Å; L978-I996 HydrophobicContact CD1-CG2 3.72Å
979	G	91.1	Very high	88.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-56.6	-42.7	178.1	0	0	0	0	0	114	T976 R981 M982 A983	T976-G979 PolarHBondContact O-N 2.81Å; T976-G979 VanDerWaalsContact O-N 3.11Å; T976-G979 PolarHBondContact OG1-N 3.19Å; G979-R981 VanDerWaalsContact C-N 3.34Å; G979-R981 PolarHBondContact O-N 3.45Å; G979-M982 WeakPolarHBondContact O-CB 3.41Å; G979-M982 PolarHBondContact O-N 2.72Å; G979-M982 VanDerWaalsContact O-N 3.11Å; G979-A983 PolarHBondContact O-N 3.35Å
980	R	89.2	Confident	88.7	Confident	166 Å²	166	55.7 Å²	55.7	63%	0.626	26%	0.257	S	S	*	.	H	α-helix	trans	-60.7	-41.9	176	-168.4	179.4	-65.8	-161.4	-1.3	112.1	L975 T976 L978 A983	L975-R980 HydrophobicContact CD2-CB 3.97Å; L975-R980 HydrophobicContact CD2-CG 4.43Å; L975-R980 HydrophobicContact CG-CB 4.45Å; T976-R980 PolarHBondContact O-N 3.39Å; L978-R980 PolarHBondContact O-N 2.92Å; R980-A983 PolarHBondContact O-N 3.18Å
981	R	88.9	Confident	88.8	Confident	71 Å²	71	53.6 Å²	53.6	27%	0.268	25%	0.246	S	C	.	.	H	α-helix	trans	-65	-39.7	173.6	-73.4	175.5	166	-162.3	-9.4	111.9	R977 L978 G979 A983 E984 F985 I996	R977-R981 WeakPolarHBondContact O-CG 3.26Å; L978-R981 WeakPolarHBondContact O-CB 3.31Å; L978-R981 PolarHBondContact O-N 2.9Å; L978-R981 VanDerWaalsContact O-N 3.1Å; G979-R981 VanDerWaalsContact C-N 3.34Å; G979-R981 PolarHBondContact O-N 3.45Å; R981-A983 VanDerWaalsContact C-N 3.33Å; R981-A983 PolarHBondContact O-N 2.89Å; R981-E984 PolarHBondContact O-N 2.9Å; R981-F985 WeakPolarHBondContact O-CD2 3.25Å; R981-I996 HydrophobicContact CB-CD1 3.84Å
982	M	91.1	Very high	89.1	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-37.8	179	-67.2	165.3	61.5	0	0	112.4	L932 L966 L978 G979 E984 F985 P989 C992 K993 I996	L932-M982 HydrophobicContact CD2-CB 4Å; L966-M982 HydrophobicContact CB-CE 4.46Å; L978-M982 HydrophobicContact CD1-CG 4.25Å; L978-M982 HydrophobicContact CD1-SD 4.14Å; L978-M982 HydrophobicContact CD2-SD 4.39Å; L978-M982 HydrophobicContact CG-CG 4.39Å; L978-M982 HydrophobicContact CG-SD 3.72Å; L978-M982 VanDerWaalsContact O-CG 3.31Å; L978-M982 WeakPolarHBondContact O-CG 3.36Å; L978-M982 PolarHBondContact O-N 3.12Å; G979-M982 WeakPolarHBondContact O-CB 3.41Å; G979-M982 PolarHBondContact O-N 2.72Å; G979-M982 VanDerWaalsContact O-N 3.11Å; M982-E984 VanDerWaalsContact C-N 3.3Å; M982-E984 PolarHBondContact O-N 3.33Å; M982-F985 PolarHBondContact O-N 2.84Å; M982-P989 HydrophobicContact CE-CB 3.91Å; M982-P989 VanDerWaalsContact CE-O 3.24Å; M982-P989 WeakPolarHBondContact CE-O 3.36Å; M982-C992 HydrophobicContact CB-CB 3.75Å; M982-C992 HydrophobicContact CE-CB 4.33Å; M982-C992 HydrophobicContact CG-CB 3.76Å; M982-C992 PolarHBondContact O-SG 2.87Å; M982-C992 VanDerWaalsContact O-SG 3.36Å; M982-K993 HydrophobicContact CE-CB 4.33Å; M982-I996 HydrophobicContact CG-CD1 3.68Å
983	A	89.3	Confident	89.4	Confident	10 Å²	10	42.3 Å²	42.3	8%	0.083	19%	0.19	C	C	.	.	H	α-helix	trans	-67.7	-24.1	-179.6	0	0	0	0	0	114.2	L932 A936 G979 R980 R981 F985	L932-A983 HydrophobicContact CD1-CB 4.27Å; L932-A983 HydrophobicContact CD2-CB 4.49Å; L932-A983 HydrophobicContact CG-CB 3.98Å; A936-A983 HydrophobicContact CB-CB 3.49Å; A936-A983 VanDerWaalsContact CB-CB 3.49Å; G979-A983 PolarHBondContact O-N 3.35Å; R980-A983 PolarHBondContact O-N 3.18Å; R981-A983 VanDerWaalsContact C-N 3.33Å; R981-A983 PolarHBondContact O-N 2.89Å; A983-F985 VanDerWaalsContact C-N 3.35Å
984	E	85.4	Confident	89.7	Confident	78 Å²	78	42.2 Å²	42.2	36%	0.364	19%	0.189	S	C	.	.	H	α-helix	trans	-78.8	-17.7	179	-66	-168.4	-106.7	0	0	113.3	R670 R981 M982 H1091	R670-E984 PolarHBondContact NH2-O 3.02Å; R981-E984 PolarHBondContact O-N 2.9Å; M982-E984 VanDerWaalsContact C-N 3.3Å; M982-E984 PolarHBondContact O-N 3.33Å; E984-H1091 IonicContact OE1-CE1 2.81Å; E984-H1091 PolarHBondContact OE1-CE1 3.39Å; E984-H1091 IonicContact OE1-ND1 2.77Å; E984-H1091 IonicContact OE1-NE2 2.64Å; E984-H1091 IonicContact OE2-CE1 2.77Å; E984-H1091 PolarHBondContact OE2-CE1 3.21Å; E984-H1091 IonicContact OE2-NE2 3.74Å
985	F	87.4	Confident	89.8	Confident	7 Å²	7	39.4 Å²	39.4	3%	0.031	17%	0.174	C	C	.	.	S	Bend	trans	-84.8	132	173.4	-70.4	-82.4	0	0	0	111.1	R981 M982 A983 L987 L995 I996 M1084 I1087 M1088 L1093	R981-F985 WeakPolarHBondContact O-CD2 3.25Å; M982-F985 PolarHBondContact O-N 2.84Å; A983-F985 VanDerWaalsContact C-N 3.35Å; F985-L987 HydrophobicContact CB-CB 4.45Å; F985-L987 HydrophobicContact CB-CD1 4.34Å; F985-L987 HydrophobicContact CB-CG 4.49Å; F985-L987 PolarHBondContact O-N 3.45Å; F985-L995 HydrophobicContact CD1-CD2 4Å; F985-L995 HydrophobicContact CE1-CD2 3.69Å; F985-L995 HydrophobicContact CZ-CD2 4.17Å; F985-I996 HydrophobicContact CE2-CD1 4.21Å; F985-I996 HydrophobicContact CE2-CG1 4.16Å; F985-M1084 HydrophobicContact CD1-SD 4.14Å; F985-I1087 HydrophobicContact CD1-CB 4.23Å; F985-I1087 HydrophobicContact CD1-CD1 4.35Å; F985-I1087 HydrophobicContact CD1-CG2 3.67Å; F985-I1087 HydrophobicContact CE1-CB 3.91Å; F985-I1087 HydrophobicContact CE1-CG2 3.42Å; F985-I1087 VanDerWaalsContact CE1-CG2 3.42Å; F985-I1087 HydrophobicContact CE2-CG2 4.46Å; F985-I1087 HydrophobicContact CG-CG2 4.29Å; F985-I1087 HydrophobicContact CZ-CG2 3.85Å; F985-M1088 HydrophobicContact CE1-CG 4.02Å; F985-M1088 HydrophobicContact CZ-CG 4.07Å; F985-L1093 HydrophobicContact CZ-CD1 4.08Å
986	P	85.3	Confident	89.8	Confident	22 Å²	22	38.3 Å²	38.3	14%	0.143	17%	0.169	C	C	.	.	S	Bend	trans	-84	60.1	178.3	37.5	-35.5	0	0	0	109.9	R649 F650 M1084 I1087	R649-P986 PolarHBondContact NE-O 3.13Å; R649-P986 PolarHBondContact NH2-O 2.84Å; F650-P986 HydrophobicContact CE1-CG 4.45Å; P986-M1084 HydrophobicContact CG-CE 3.66Å; P986-M1084 HydrophobicContact CG-SD 4.29Å; P986-I1087 HydrophobicContact CG-CD1 4.37Å
987	L	86.9	Confident	89.6	Confident	15 Å²	15	39.1 Å²	39.1	8%	0.079	17%	0.171	C	C	.	.	S	Bend	trans	-139.2	172.3	-174.1	-66	173.7	0	0	0	109.4	F985 L991 L995 V1011 S1015 M1084	F985-L987 HydrophobicContact CB-CB 4.45Å; F985-L987 HydrophobicContact CB-CD1 4.34Å; F985-L987 HydrophobicContact CB-CG 4.49Å; F985-L987 PolarHBondContact O-N 3.45Å; L987-L991 HydrophobicContact CB-CB 4.32Å; L987-L995 HydrophobicContact CD1-CD2 4.37Å; L987-V1011 HydrophobicContact CD1-CG1 3.51Å; L987-V1011 HydrophobicContact CD2-CG1 4.03Å; L987-V1011 HydrophobicContact CG-CG1 4.42Å; L987-S1015 WeakPolarHBondContact CD2-OG 3.38Å; L987-M1084 HydrophobicContact CD1-CG 4.4Å; L987-M1084 HydrophobicContact CD1-SD 3.8Å; L987-M1084 HydrophobicContact CD2-SD 4.43Å; L987-M1084 HydrophobicContact CG-SD 4.02Å
988	E	87.7	Confident	89.7	Confident	92 Å²	92	29.4 Å²	29.4	43%	0.43	13%	0.134	S	C	.	.			trans	-76.5	148.8	174.8	-61.2	-172.3	164.8	0	0	111.5	M990 L991 C992	E988-M990 PolarHBondContact O-N 3.29Å; E988-M990 VanDerWaalsContact O-N 3.11Å; E988-L991 HydrophobicContact CB-CD1 4.25Å; E988-L991 HydrophobicContact CB-CG 4.41Å; E988-L991 HydrophobicContact CG-CD1 4.48Å; E988-L991 WeakPolarHBondContact O-CA 3.36Å; E988-L991 WeakPolarHBondContact O-CB 3.35Å; E988-L991 PolarHBondContact O-N 3.5Å; E988-C992 PolarHBondContact O-N 3.18Å; E988-C992 PolarHBondContact O-SG 3.05Å
989	P	90.9	Very high	89.7	Confident	7 Å²	7	28.5 Å²	28.5	5%	0.045	13%	0.131	C	C	.	.	H	α-helix	trans	-52	-38	-178.4	-29.5	36.1	0	0	0	114.5	A928 L932 L963 L966 M982 C992 K993	A928-P989 HydrophobicContact CB-CG 4.38Å; L932-P989 HydrophobicContact CD2-CB 4.3Å; L932-P989 HydrophobicContact CD2-CG 3.93Å; L963-P989 HydrophobicContact CD2-CB 3.91Å; L963-P989 HydrophobicContact CD2-CG 3.85Å; L966-P989 HydrophobicContact CD1-CB 3.53Å; M982-P989 HydrophobicContact CE-CB 3.91Å; M982-P989 VanDerWaalsContact CE-O 3.24Å; M982-P989 WeakPolarHBondContact CE-O 3.36Å; P989-C992 PolarHBondContact O-N 3.49Å; P989-K993 PolarHBondContact O-N 2.86Å
990	M	90.6	Very high	89.6	Confident	22 Å²	22	35 Å²	35	11%	0.108	16%	0.161	C	C	.	.	H	α-helix	trans	-65.2	-43.7	177	-63.7	-175.9	-71.5	0	0	112.1	L966 E988 K993 M994 F1113	L966-M990 HydrophobicContact CD1-CG 4.21Å; L966-M990 HydrophobicContact CD2-CG 4.1Å; E988-M990 PolarHBondContact O-N 3.29Å; E988-M990 VanDerWaalsContact O-N 3.11Å; M990-K993 PolarHBondContact O-N 3.34Å; M990-M994 WeakPolarHBondContact O-CB 3.39Å; M990-M994 PolarHBondContact O-N 3.2Å; M990-F1113 HydrophobicContact CB-CD1 4.03Å; M990-F1113 HydrophobicContact CB-CE1 3.71Å; M990-F1113 HydrophobicContact CB-CZ 3.97Å; M990-F1113 HydrophobicContact CE-CD1 4.36Å; M990-F1113 HydrophobicContact CE-CE1 4.02Å; M990-F1113 HydrophobicContact CG-CE1 4.49Å; M990-F1113 HydrophobicContact SD-CD1 3.94Å; M990-F1113 HydrophobicContact SD-CE1 4.11Å
991	L	92	Very high	89.5	Confident	7 Å²	7	29.2 Å²	29.2	4%	0.037	14%	0.142	C	C	.	.	H	α-helix	trans	-65.2	-38	173.4	-64.4	173.3	0	0	0	111.9	L987 E988 M994 L995 L1014 F1113	L987-L991 HydrophobicContact CB-CB 4.32Å; E988-L991 HydrophobicContact CB-CD1 4.25Å; E988-L991 HydrophobicContact CB-CG 4.41Å; E988-L991 HydrophobicContact CG-CD1 4.48Å; E988-L991 WeakPolarHBondContact O-CA 3.36Å; E988-L991 WeakPolarHBondContact O-CB 3.35Å; E988-L991 PolarHBondContact O-N 3.5Å; L991-M994 HydrophobicContact CD2-CE 3.57Å; L991-M994 PolarHBondContact O-N 2.81Å; L991-L995 WeakPolarHBondContact O-CB 3.37Å; L991-L995 PolarHBondContact O-N 2.85Å; L991-L1014 HydrophobicContact CD2-CD1 3.71Å; L991-F1113 HydrophobicContact CD2-CE2 3.86Å; L991-F1113 HydrophobicContact CD2-CZ 3.67Å; L991-F1113 HydrophobicContact CG-CZ 4.13Å
992	C	91.8	Very high	89.5	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.8	-45	175.5	-63.1	0	0	0	0	111.9	M982 E988 P989 L995 I996	M982-C992 HydrophobicContact CB-CB 3.75Å; M982-C992 HydrophobicContact CE-CB 4.33Å; M982-C992 HydrophobicContact CG-CB 3.76Å; M982-C992 PolarHBondContact O-SG 2.87Å; M982-C992 VanDerWaalsContact O-SG 3.36Å; E988-C992 PolarHBondContact O-N 3.18Å; E988-C992 PolarHBondContact O-SG 3.05Å; P989-C992 PolarHBondContact O-N 3.49Å; C992-L995 PolarHBondContact O-N 3.29Å; C992-I996 VanDerWaalsContact O-CG1 3.31Å; C992-I996 WeakPolarHBondContact O-CG1 3.49Å; C992-I996 PolarHBondContact O-N 3.41Å
993	K	91	Very high	89.5	Confident	15 Å²	15	26.6 Å²	26.6	7%	0.065	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-46.7	176.8	-172.8	179.6	-178	-163.8	0	110.8	L966 M982 P989 M990 L995 I996 M997 S1111	L966-K993 HydrophobicContact CB-CD 4.33Å; L966-K993 HydrophobicContact CD2-CB 4.17Å; L966-K993 HydrophobicContact CD2-CD 3.51Å; L966-K993 HydrophobicContact CD2-CG 4.47Å; L966-K993 VanDerWaalsContact O-CD 3.29Å; L966-K993 WeakPolarHBondContact O-CD 3.26Å; L966-K993 VanDerWaalsContact O-CE 3.27Å; L966-K993 WeakPolarHBondContact O-CE 3.49Å; M982-K993 HydrophobicContact CE-CB 4.33Å; P989-K993 PolarHBondContact O-N 2.86Å; M990-K993 PolarHBondContact O-N 3.34Å; K993-L995 PolarHBondContact O-N 2.59Å; K993-I996 PolarHBondContact O-N 2.88Å; K993-M997 WeakPolarHBondContact O-CB 3.39Å; K993-M997 PolarHBondContact O-N 2.87Å; K993-S1111 WeakPolarHBondContact CD-O 3.38Å; K993-S1111 WeakPolarHBondContact CE-O 3.39Å; K993-S1111 PolarHBondContact NZ-O 3.18Å
994	M	91.9	Very high	89.6	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.6	-46.3	176.2	-179.2	171.5	76.8	0	0	112.5	M990 L991 S998 M1007 V1011 L1014 I1109 F1113	M990-M994 WeakPolarHBondContact O-CB 3.39Å; M990-M994 PolarHBondContact O-N 3.2Å; L991-M994 HydrophobicContact CD2-CE 3.57Å; L991-M994 PolarHBondContact O-N 2.81Å; M994-S998 PolarHBondContact O-N 3.3Å; M994-M1007 HydrophobicContact CE-SD 3.61Å; M994-M1007 HydrophobicContact CG-CE 3.8Å; M994-M1007 HydrophobicContact CG-CG 3.94Å; M994-M1007 HydrophobicContact CG-SD 3.46Å; M994-M1007 WeakPolarHBondContact CG-SD 3.18Å; M994-M1007 HydrophobicContact SD-CE 4.06Å; M994-M1007 HydrophobicContact SD-SD 3.58Å; M994-V1011 HydrophobicContact CE-CG2 3.48Å; M994-V1011 VanDerWaalsContact CE-CG2 3.48Å; M994-L1014 HydrophobicContact CE-CD1 4.22Å; M994-I1109 HydrophobicContact SD-CB 4.15Å; M994-I1109 HydrophobicContact SD-CG1 3.77Å; M994-I1109 HydrophobicContact SD-CG2 4.44Å; M994-F1113 HydrophobicContact CE-CE2 4.01Å; M994-F1113 HydrophobicContact SD-CD2 4.03Å; M994-F1113 HydrophobicContact SD-CE2 3.84Å
995	L	91.8	Very high	89.8	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.4	-44.6	178.2	-173.5	64.2	0	0	0	111.9	F985 L987 L991 C992 K993 S998 L1008 V1011 M1088	F985-L995 HydrophobicContact CD1-CD2 4Å; F985-L995 HydrophobicContact CE1-CD2 3.69Å; F985-L995 HydrophobicContact CZ-CD2 4.17Å; L987-L995 HydrophobicContact CD1-CD2 4.37Å; L991-L995 WeakPolarHBondContact O-CB 3.37Å; L991-L995 PolarHBondContact O-N 2.85Å; C992-L995 PolarHBondContact O-N 3.29Å; K993-L995 PolarHBondContact O-N 2.59Å; L995-S998 PolarHBondContact O-N 2.78Å; L995-S998 PolarHBondContact O-OG 3.39Å; L995-L1008 HydrophobicContact CD1-CB 4.24Å; L995-L1008 HydrophobicContact CD1-CD1 4.31Å; L995-V1011 HydrophobicContact CB-CG2 4.46Å; L995-V1011 HydrophobicContact CD1-CG2 4.5Å; L995-M1088 HydrophobicContact CD1-SD 4.03Å; L995-M1088 HydrophobicContact CD2-SD 4.26Å; L995-M1088 HydrophobicContact CG-SD 4.24Å
996	I	91.2	Very high	90	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-68.1	-39.2	179.8	-65	166.3	0	0	0	111.1	L978 R981 M982 F985 C992 K993 S998 V999 H1000	L978-I996 HydrophobicContact CD1-CB 4.21Å; L978-I996 HydrophobicContact CD1-CD1 3.92Å; L978-I996 HydrophobicContact CD1-CG2 3.72Å; R981-I996 HydrophobicContact CB-CD1 3.84Å; M982-I996 HydrophobicContact CG-CD1 3.68Å; F985-I996 HydrophobicContact CE2-CD1 4.21Å; F985-I996 HydrophobicContact CE2-CG1 4.16Å; C992-I996 VanDerWaalsContact O-CG1 3.31Å; C992-I996 WeakPolarHBondContact O-CG1 3.49Å; C992-I996 PolarHBondContact O-N 3.41Å; K993-I996 PolarHBondContact O-N 2.88Å; I996-S998 VanDerWaalsContact C-N 3.31Å; I996-S998 PolarHBondContact O-N 3.21Å; I996-V999 WeakPolarHBondContact O-CB 3.46Å; I996-V999 PolarHBondContact O-N 3.06Å; I996-H1000 PolarHBondContact O-CD2 3.11Å
997	M	89	Confident	90.4	Very high	49 Å²	49	23.8 Å²	23.8	24%	0.241	12%	0.121	C	C	.	.	H	α-helix	trans	-66.4	-32	176.2	-168.8	61.9	71.7	0	0	112.4	K993 V999 H1000 L1001 S1111 F1178	K993-M997 WeakPolarHBondContact O-CB 3.39Å; K993-M997 PolarHBondContact O-N 2.87Å; M997-V999 PolarHBondContact O-N 3.47Å; M997-H1000 WeakPolarHBondContact O-CA 3.3Å; M997-H1000 WeakPolarHBondContact O-CB 3.41Å; M997-H1000 PolarHBondContact O-N 2.79Å; M997-H1000 HydrophobicContact SD-CB 4.1Å; M997-L1001 HydrophobicContact CG-CD1 3.91Å; M997-L1001 HydrophobicContact CG-CG 4.32Å; M997-L1001 PolarHBondContact O-N 3.05Å; M997-S1111 WeakPolarHBondContact CB-OG 3.41Å; M997-S1111 WeakPolarHBondContact CG-OG 3.35Å; M997-F1178 HydrophobicContact CG-CE1 4.49Å; M997-F1178 HydrophobicContact SD-CE1 4.46Å
998	S	91.1	Very high	90.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.7	-24.2	177	77	0	0	0	0	114.2	M994 L995 I996 G1002 C1003 S1004 M1007	M994-S998 PolarHBondContact O-N 3.3Å; L995-S998 PolarHBondContact O-N 2.78Å; L995-S998 PolarHBondContact O-OG 3.39Å; I996-S998 VanDerWaalsContact C-N 3.31Å; I996-S998 PolarHBondContact O-N 3.21Å; S998-G1002 PolarHBondContact O-N 2.76Å; S998-C1003 PolarHBondContact O-N 2.63Å; S998-S1004 PolarHBondContact O-N 2.91Å; S998-S1004 WeakPolarHBondContact OG-CA 3.24Å; S998-M1007 VanDerWaalsContact CB-CB 3.43Å; S998-M1007 WeakPolarHBondContact OG-CB 3.5Å
999	V	90.4	Very high	90.9	Very high	33 Å²	33	18.8 Å²	18.8	20%	0.2	10%	0.097	C	C	.	.	H	α-helix	trans	-71.4	-41.8	172.3	-175.2	0	0	0	0	110.3	I996 M997 L1001 G1002 M1088 L1093	I996-V999 WeakPolarHBondContact O-CB 3.46Å; I996-V999 PolarHBondContact O-N 3.06Å; M997-V999 PolarHBondContact O-N 3.47Å; V999-L1001 VanDerWaalsContact C-N 3.33Å; V999-L1001 PolarHBondContact O-N 2.92Å; V999-G1002 PolarHBondContact O-N 2.83Å; V999-M1088 HydrophobicContact CG2-CE 3.67Å; V999-L1093 HydrophobicContact CG1-CB 4.42Å; V999-L1093 HydrophobicContact CG1-CD2 4.4Å; V999-L1093 HydrophobicContact CG2-CB 4.08Å; V999-L1093 HydrophobicContact CG2-CD2 4.47Å
1000	H	88.4	Confident	91	Very high	136 Å²	136	18.5 Å²	18.5	63%	0.63	10%	0.095	S	C	*	.	H	α-helix	trans	-68.3	-30.2	175.9	-70.1	-76.5	0	0	0	113	I996 M997	I996-H1000 PolarHBondContact O-CD2 3.11Å; M997-H1000 WeakPolarHBondContact O-CA 3.3Å; M997-H1000 WeakPolarHBondContact O-CB 3.41Å; M997-H1000 PolarHBondContact O-N 2.79Å; M997-H1000 HydrophobicContact SD-CB 4.1Å
1001	L	88.3	Confident	91.2	Very high	45 Å²	45	17.4 Å²	17.4	24%	0.236	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-5.4	177.4	-66.8	171.4	0	0	0	114.1	M997 V999 K1107 A1108 F1178	M997-L1001 HydrophobicContact CG-CD1 3.91Å; M997-L1001 HydrophobicContact CG-CG 4.32Å; M997-L1001 PolarHBondContact O-N 3.05Å; V999-L1001 VanDerWaalsContact C-N 3.33Å; V999-L1001 PolarHBondContact O-N 2.92Å; L1001-K1107 HydrophobicContact CD1-CB 4.13Å; L1001-A1108 HydrophobicContact CD1-CB 3.88Å; L1001-F1178 HydrophobicContact CD1-CE1 4.5Å; L1001-F1178 HydrophobicContact CD1-CZ 4.19Å
1002	G	88.2	Confident	91.2	Very high	16 Å²	16	17.1 Å²	17.1	17%	0.165	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	35.9	-179.9	0	0	0	0	0	114.6	S998 V999 C1098	S998-G1002 PolarHBondContact O-N 2.76Å; V999-G1002 PolarHBondContact O-N 2.83Å; G1002-C1098 WeakPolarHBondContact O-CB 3.27Å
1003	C	91.2	Very high	91.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.089	C	C	.	.			trans	-127.3	29.4	-179.4	60.1	0	0	0	0	112.7	S998 M1007 C1098 R1104 V1105	S998-C1003 PolarHBondContact O-N 2.63Å; C1003-M1007 WeakPolarHBondContact O-CB 3.42Å; C1003-M1007 PolarHBondContact O-N 2.86Å; C1003-C1098 HydrophobicContact CB-CB 3.7Å; C1003-R1104 HydrophobicContact CB-CB 4.09Å; C1003-R1104 PolarHBondContact SG-O 3.26Å; C1003-R1104 VanDerWaalsContact SG-O 3.35Å; C1003-V1105 HydrophobicContact CB-CG2 4.14Å
1004	S	90.6	Very high	91.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-74.4	-30.4	-168.8	56.3	0	0	0	0	115.5	S998 L1008 V1095 V1096	S998-S1004 PolarHBondContact O-N 2.91Å; S998-S1004 WeakPolarHBondContact OG-CA 3.24Å; S1004-L1008 WeakPolarHBondContact O-CB 3.29Å; S1004-L1008 PolarHBondContact O-N 2.63Å; S1004-V1095 WeakPolarHBondContact OG-CA 3.36Å; S1004-V1096 PolarHBondContact N-O 2.84Å; S1004-V1096 PolarHBondContact OG-N 3Å; S1004-V1096 PolarHBondContact OG-O 3.17Å
1005	E	91	Very high	91	Very high	45 Å²	45	18.8 Å²	18.8	21%	0.21	10%	0.1	C	C	.	.	H	α-helix	trans	-68.5	-42.6	177.5	-168.6	-173.8	178.5	0	0	111	T1009 K1055 R1081 V1095 V1096 T1097	E1005-T1009 WeakPolarHBondContact O-CB 3.44Å; E1005-T1009 PolarHBondContact O-N 2.88Å; E1005-T1009 PolarHBondContact O-OG1 3.17Å; E1005-K1055 IonicContact OE1-NZ 2.64Å; E1005-K1055 PolarHBondContact OE1-NZ 3.14Å; E1005-R1081 IonicContact OE1-CZ 3.15Å; E1005-R1081 IonicContact OE1-NH2 2.68Å; E1005-R1081 PolarHBondContact OE1-NH2 3.19Å; E1005-V1095 HydrophobicContact CB-CG1 4.12Å; E1005-V1096 PolarHBondContact N-O 3.07Å; E1005-V1096 VanDerWaalsContact N-O 3.11Å; E1005-T1097 HydrophobicContact CB-CG2 4.35Å; E1005-T1097 PolarHBondContact OE2-OG1 3.49Å
1006	E	91.6	Very high	90.7	Very high	14 Å²	14	19.5 Å²	19.5	7%	0.065	10%	0.104	C	C	.	.	H	α-helix	trans	-63.6	-48.3	174.8	-63.2	87.3	163.6	0	0	110.2	T1009 I1010 L1048 T1097 C1098 G1099 V1105	E1006-T1009 WeakPolarHBondContact O-CA 3.48Å; E1006-T1009 WeakPolarHBondContact O-CB 3.43Å; E1006-T1009 PolarHBondContact O-N 3.3Å; E1006-T1009 VanDerWaalsContact O-N 3.09Å; E1006-I1010 WeakPolarHBondContact O-CG1 3.49Å; E1006-I1010 PolarHBondContact O-N 3.28Å; E1006-L1048 HydrophobicContact CB-CD1 4.36Å; E1006-L1048 HydrophobicContact CB-CD2 3.88Å; E1006-L1048 HydrophobicContact CG-CD2 3.89Å; E1006-T1097 WeakPolarHBondContact OE1-CG2 3.32Å; E1006-T1097 WeakPolarHBondContact OE2-CA 3.43Å; E1006-C1098 VanDerWaalsContact CD-N 3.31Å; E1006-C1098 WeakPolarHBondContact OE1-CA 3.48Å; E1006-C1098 PolarHBondContact OE1-N 3.45Å; E1006-C1098 PolarHBondContact OE1-SG 3Å; E1006-C1098 PolarHBondContact OE2-N 3.37Å; E1006-C1098 VanDerWaalsContact OE2-N 3.11Å; E1006-G1099 PolarHBondContact OE1-N 3.29Å; E1006-V1105 HydrophobicContact CB-CG2 4.13Å
1007	M	92.8	Very high	89.9	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.1	-41.6	-177.6	-166	52.8	72.2	0	0	113.2	M994 S998 C1003 T1009 I1010 V1011 V1105 A1108 I1109	M994-M1007 HydrophobicContact CE-SD 3.61Å; M994-M1007 HydrophobicContact CG-CE 3.8Å; M994-M1007 HydrophobicContact CG-CG 3.94Å; M994-M1007 HydrophobicContact CG-SD 3.46Å; M994-M1007 WeakPolarHBondContact CG-SD 3.18Å; M994-M1007 HydrophobicContact SD-CE 4.06Å; M994-M1007 HydrophobicContact SD-SD 3.58Å; S998-M1007 VanDerWaalsContact CB-CB 3.43Å; S998-M1007 WeakPolarHBondContact OG-CB 3.5Å; C1003-M1007 WeakPolarHBondContact O-CB 3.42Å; C1003-M1007 PolarHBondContact O-N 2.86Å; M1007-T1009 PolarHBondContact O-N 3.24Å; M1007-I1010 PolarHBondContact O-N 2.97Å; M1007-I1010 HydrophobicContact SD-CB 4.18Å; M1007-I1010 HydrophobicContact SD-CG2 4.28Å; M1007-V1011 HydrophobicContact CG-CG2 4.24Å; M1007-V1011 WeakPolarHBondContact O-CB 3.46Å; M1007-V1011 VanDerWaalsContact O-CG2 3.29Å; M1007-V1011 WeakPolarHBondContact O-CG2 3.24Å; M1007-V1011 PolarHBondContact O-N 3.2Å; M1007-V1011 HydrophobicContact SD-CG2 4.33Å; M1007-V1105 HydrophobicContact CE-CG1 3.69Å; M1007-A1108 HydrophobicContact CE-CB 3.54Å; M1007-I1109 HydrophobicContact CE-CD1 4.47Å; M1007-I1109 HydrophobicContact CE-CG1 3.72Å
1008	L	92.6	Very high	89.4	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-54	-38.2	171.4	179.6	70	0	0	0	111.3	L995 S1004 S1012 R1081 M1084 L1085 M1088	L995-L1008 HydrophobicContact CD1-CB 4.24Å; L995-L1008 HydrophobicContact CD1-CD1 4.31Å; S1004-L1008 WeakPolarHBondContact O-CB 3.29Å; S1004-L1008 PolarHBondContact O-N 2.63Å; L1008-S1012 WeakPolarHBondContact O-CB 3.25Å; L1008-S1012 PolarHBondContact O-N 2.8Å; L1008-S1012 PolarHBondContact O-OG 2.89Å; L1008-R1081 HydrophobicContact CD2-CG 4Å; L1008-R1081 HydrophobicContact CG-CG 3.84Å; L1008-M1084 HydrophobicContact CD1-CB 3.37Å; L1008-M1084 HydrophobicContact CD1-CG 4.47Å; L1008-L1085 HydrophobicContact CD2-CB 4.16Å; L1008-L1085 HydrophobicContact CD2-CD1 4.28Å; L1008-M1088 HydrophobicContact CD1-SD 3.91Å
1009	T	92.9	Very high	89	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-73.2	-43.7	178.5	-52.9	0	0	0	0	111.5	E1005 E1006 M1007 S1012 M1013 L1048 Y1051 R1081	E1005-T1009 WeakPolarHBondContact O-CB 3.44Å; E1005-T1009 PolarHBondContact O-N 2.88Å; E1005-T1009 PolarHBondContact O-OG1 3.17Å; E1006-T1009 WeakPolarHBondContact O-CA 3.48Å; E1006-T1009 WeakPolarHBondContact O-CB 3.43Å; E1006-T1009 PolarHBondContact O-N 3.3Å; E1006-T1009 VanDerWaalsContact O-N 3.09Å; M1007-T1009 PolarHBondContact O-N 3.24Å; T1009-S1012 PolarHBondContact O-N 2.74Å; T1009-M1013 VanDerWaalsContact O-CG 3.31Å; T1009-M1013 WeakPolarHBondContact O-CG 3.33Å; T1009-M1013 PolarHBondContact O-N 2.93Å; T1009-L1048 HydrophobicContact CG2-CD1 3.83Å; T1009-Y1051 HydrophobicContact CG2-CD1 3.32Å; T1009-Y1051 HydrophobicContact CG2-CD2 4.26Å; T1009-Y1051 HydrophobicContact CG2-CE1 3.87Å; T1009-Y1051 HydrophobicContact CG2-CG 3.54Å; T1009-R1081 PolarHBondContact OG1-NE 3.19Å; T1009-R1081 PolarHBondContact OG1-NH2 3.03Å
1010	I	93.3	Very high	88.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.9	-51.7	176.5	-69.2	167.3	0	0	0	111.1	E1006 M1007 S1012 M1013 L1014 H1044 L1048 V1105	E1006-I1010 WeakPolarHBondContact O-CG1 3.49Å; E1006-I1010 PolarHBondContact O-N 3.28Å; M1007-I1010 PolarHBondContact O-N 2.97Å; M1007-I1010 HydrophobicContact SD-CB 4.18Å; M1007-I1010 HydrophobicContact SD-CG2 4.28Å; I1010-S1012 PolarHBondContact O-N 3.11Å; I1010-M1013 PolarHBondContact O-N 3.13Å; I1010-L1014 HydrophobicContact CG2-CD1 4.23Å; I1010-L1014 HydrophobicContact CG2-CG 4.34Å; I1010-L1014 WeakPolarHBondContact O-CG 3.4Å; I1010-L1014 PolarHBondContact O-N 3.3Å; I1010-H1044 HydrophobicContact CD1-CB 4.49Å; I1010-H1044 HydrophobicContact CG2-CB 4.11Å; I1010-L1048 HydrophobicContact CD1-CB 4.4Å; I1010-L1048 HydrophobicContact CD1-CD2 4.43Å; I1010-L1048 HydrophobicContact CG1-CB 4.06Å; I1010-V1105 HydrophobicContact CD1-CG1 3.44Å; I1010-V1105 VanDerWaalsContact CD1-CG1 3.44Å
1011	V	93.3	Very high	88.5	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-53.6	-39.9	175.9	169.5	0	0	0	0	111.5	L987 M994 L995 M1007 S1015	L987-V1011 HydrophobicContact CD1-CG1 3.51Å; L987-V1011 HydrophobicContact CD2-CG1 4.03Å; L987-V1011 HydrophobicContact CG-CG1 4.42Å; M994-V1011 HydrophobicContact CE-CG2 3.48Å; M994-V1011 VanDerWaalsContact CE-CG2 3.48Å; L995-V1011 HydrophobicContact CB-CG2 4.46Å; L995-V1011 HydrophobicContact CD1-CG2 4.5Å; M1007-V1011 HydrophobicContact CG-CG2 4.24Å; M1007-V1011 WeakPolarHBondContact O-CB 3.46Å; M1007-V1011 VanDerWaalsContact O-CG2 3.29Å; M1007-V1011 WeakPolarHBondContact O-CG2 3.24Å; M1007-V1011 PolarHBondContact O-N 3.2Å; M1007-V1011 HydrophobicContact SD-CG2 4.33Å; V1011-S1015 VanDerWaalsContact O-CB 3.32Å; V1011-S1015 WeakPolarHBondContact O-CB 3.33Å; V1011-S1015 PolarHBondContact O-N 3.3Å; V1011-S1015 PolarHBondContact O-OG 2.96Å
1012	S	92.6	Very high	88	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-72.5	-27.7	179.4	-57.2	0	0	0	0	113.6	L1008 T1009 I1010 V1016 A1077 R1081	L1008-S1012 WeakPolarHBondContact O-CB 3.25Å; L1008-S1012 PolarHBondContact O-N 2.8Å; L1008-S1012 PolarHBondContact O-OG 2.89Å; T1009-S1012 PolarHBondContact O-N 2.74Å; I1010-S1012 PolarHBondContact O-N 3.11Å; S1012-V1016 WeakPolarHBondContact O-CG2 3.39Å; S1012-A1077 WeakPolarHBondContact CB-O 3.38Å; S1012-A1077 WeakPolarHBondContact O-CB 3.43Å; S1012-R1081 WeakPolarHBondContact OG-CA 3.29Å; S1012-R1081 WeakPolarHBondContact OG-CB 3.46Å; S1012-R1081 PolarHBondContact OG-N 3.17Å
1013	M	91.6	Very high	87.3	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.015	16%	0.155	C	C	.	.	H	α-helix	trans	-79.5	-40.9	174.9	-69.6	-73.6	-81.5	0	0	111.8	T1009 I1010 S1015 V1016 V1019 L1047 V1050 Y1051 L1074 A1077	T1009-M1013 VanDerWaalsContact O-CG 3.31Å; T1009-M1013 WeakPolarHBondContact O-CG 3.33Å; T1009-M1013 PolarHBondContact O-N 2.93Å; I1010-M1013 PolarHBondContact O-N 3.13Å; M1013-S1015 VanDerWaalsContact C-N 3.28Å; M1013-S1015 PolarHBondContact O-N 2.78Å; M1013-V1016 PolarHBondContact O-N 3.49Å; M1013-V1019 HydrophobicContact CE-CG1 4.12Å; M1013-V1019 HydrophobicContact CE-CG2 3.9Å; M1013-V1019 HydrophobicContact SD-CG2 4.39Å; M1013-L1047 HydrophobicContact CB-CB 4.16Å; M1013-L1047 HydrophobicContact CB-CD1 4.38Å; M1013-L1047 HydrophobicContact CE-CB 4.29Å; M1013-L1047 HydrophobicContact CE-CD2 4.28Å; M1013-L1047 WeakPolarHBondContact CE-O 3.38Å; M1013-V1050 HydrophobicContact CE-CG1 4.23Å; M1013-Y1051 HydrophobicContact CG-CD2 4.48Å; M1013-Y1051 HydrophobicContact SD-CD2 3.86Å; M1013-Y1051 HydrophobicContact SD-CG 4.47Å; M1013-L1074 HydrophobicContact CE-CD2 3.68Å; M1013-L1074 HydrophobicContact SD-CD2 3.81Å; M1013-A1077 HydrophobicContact CG-CB 4.46Å; M1013-A1077 HydrophobicContact SD-CB 3.7Å
1014	L	90.9	Very high	86.3	Confident	22 Å²	22	40.9 Å²	40.9	12%	0.115	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-37	172.4	-64.8	179.8	0	0	0	111.9	L991 M994 I1010 V1016 L1047 E1166	L991-L1014 HydrophobicContact CD2-CD1 3.71Å; M994-L1014 HydrophobicContact CE-CD1 4.22Å; I1010-L1014 HydrophobicContact CG2-CD1 4.23Å; I1010-L1014 HydrophobicContact CG2-CG 4.34Å; I1010-L1014 WeakPolarHBondContact O-CG 3.4Å; I1010-L1014 PolarHBondContact O-N 3.3Å; L1014-V1016 PolarHBondContact O-N 3.21Å; L1014-L1047 HydrophobicContact CD2-CD1 3.91Å; L1014-E1166 HydrophobicContact CD2-CB 4.21Å; L1014-E1166 HydrophobicContact CD2-CG 3.88Å
1015	S	87.5	Confident	85.4	Confident	25 Å²	25	45.1 Å²	45.1	18%	0.175	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	7.4	178.7	-62	0	0	0	0	114.7	L987 V1011 M1013	L987-S1015 WeakPolarHBondContact CD2-OG 3.38Å; V1011-S1015 VanDerWaalsContact O-CB 3.32Å; V1011-S1015 WeakPolarHBondContact O-CB 3.33Å; V1011-S1015 PolarHBondContact O-N 3.3Å; V1011-S1015 PolarHBondContact O-OG 2.96Å; M1013-S1015 VanDerWaalsContact C-N 3.28Å; M1013-S1015 PolarHBondContact O-N 2.78Å
1016	V	85.1	Confident	84.9	Confident	15 Å²	15	48.2 Å²	48.2	9%	0.091	22%	0.223	C	C	.	.	S	Bend	trans	-130.6	142.3	-179.5	-174	0	0	0	0	111	S1012 M1013 L1014 R1076 A1077 I1080	S1012-V1016 WeakPolarHBondContact O-CG2 3.39Å; M1013-V1016 PolarHBondContact O-N 3.49Å; L1014-V1016 PolarHBondContact O-N 3.21Å; V1016-R1076 HydrophobicContact CG2-CB 4.36Å; V1016-R1076 HydrophobicContact CG2-CG 4.12Å; V1016-A1077 HydrophobicContact CG2-CB 4.09Å; V1016-I1080 HydrophobicContact CG2-CD1 3.32Å
1017	Q	74.6	Confident	84.2	Confident	135 Å²	135	50.8 Å²	50.8	63%	0.631	24%	0.235	S	C	*	.	S	Bend	trans	-56.5	138	174.9	-66.7	169.4	-32	0	0	112.5	V1019 S1073	Q1017-V1019 PolarHBondContact O-N 3.36Å; Q1017-S1073 PolarHBondContact O-OG 3.33Å
1018	N	78.4	Confident	83.7	Confident	107 Å²	107	54.8 Å²	54.8	57%	0.572	27%	0.267	S	S	*	.			trans	-2.7	97.9	172.7	-75.5	-19.2	0	0	0	115.8	F1020 Q1070	N1018-F1020 VanDerWaalsContact C-N 3.3Å; N1018-F1020 PolarHBondContact O-N 3.49Å; N1018-Q1070 PolarHBondContact O-NE2 3.41Å
1019	V	84.6	Confident	83.4	Confident	5 Å²	5	58.6 Å²	58.6	3%	0.03	29%	0.288	C	S	.	.	S	Bend	trans	-63.6	-33.2	-178.5	173.9	0	0	0	0	112.5	M1013 Q1017 V1050 I1069 Q1070 L1074	M1013-V1019 HydrophobicContact CE-CG1 4.12Å; M1013-V1019 HydrophobicContact CE-CG2 3.9Å; M1013-V1019 HydrophobicContact SD-CG2 4.39Å; Q1017-V1019 PolarHBondContact O-N 3.36Å; V1019-V1050 HydrophobicContact CG1-CG1 4.19Å; V1019-I1069 HydrophobicContact CG1-CG2 3.57Å; V1019-Q1070 PolarHBondContact O-N 3.08Å; V1019-L1074 HydrophobicContact CG1-CD2 3.86Å; V1019-L1074 HydrophobicContact CG1-CG 4.26Å
1020	F	86.1	Confident	82.9	Confident	47 Å²	47	58.9 Å²	58.9	21%	0.206	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-81.6	142.3	178.7	-58.7	-73.5	0	0	0	112.2	N1018 K1034 T1046 L1047 V1050 I1069	N1018-F1020 VanDerWaalsContact C-N 3.3Å; N1018-F1020 PolarHBondContact O-N 3.49Å; F1020-K1034 HydrophobicContact CD1-CD 4.12Å; F1020-K1034 HydrophobicContact CD1-CG 3.92Å; F1020-K1034 HydrophobicContact CD2-CD 4.26Å; F1020-K1034 HydrophobicContact CE1-CD 4.23Å; F1020-K1034 HydrophobicContact CE1-CG 3.7Å; F1020-K1034 HydrophobicContact CE2-CD 4.36Å; F1020-K1034 HydrophobicContact CG-CD 4.13Å; F1020-K1034 HydrophobicContact CG-CG 4.44Å; F1020-K1034 HydrophobicContact CZ-CD 4.33Å; F1020-K1034 HydrophobicContact CZ-CG 4.02Å; F1020-T1046 HydrophobicContact CZ-CG2 4.37Å; F1020-L1047 HydrophobicContact CE2-CD2 4.2Å; F1020-V1050 HydrophobicContact CE1-CG2 3.94Å; F1020-V1050 HydrophobicContact CZ-CG2 3.85Å; F1020-I1069 HydrophobicContact CD1-CG1 4.4Å
1021	Y	80.3	Confident	82.5	Confident	137 Å²	137	61.6 Å²	61.6	54%	0.537	30%	0.304	S	S	.	.			trans	-113.2	122.5	174.8	177.3	-122.2	0	0	0	109.8	P1023 F1068	Y1021-P1023 HydrophobicContact CD1-CG 4.15Å; Y1021-P1023 HydrophobicContact CE1-CB 3.87Å; Y1021-P1023 HydrophobicContact CE1-CG 3.8Å; Y1021-P1023 VanDerWaalsContact O-CD 3.26Å; Y1021-P1023 WeakPolarHBondContact O-CD 3.43Å; Y1021-F1068 PolarHBondContact N-O 3.45Å; Y1021-F1068 WeakPolarHBondContact O-CB 3.26Å
1022	R	79.8	Confident	82.2	Confident	130 Å²	130	67.4 Å²	67.4	49%	0.491	33%	0.331	S	S	.	.			trans	-119.2	75	-175.6	-167.2	171.7	-173.4	-99.7	-1.8	111.2	Q1027 D1031	R1022-Q1027 HydrophobicContact CG-CG 4.06Å; R1022-Q1027 VanDerWaalsContact NH1-CD 3.34Å; R1022-Q1027 VanDerWaalsContact NH1-OE1 3.1Å; R1022-D1031 WeakPolarHBondContact CD-OD1 3.38Å; R1022-D1031 IonicContact CZ-OD1 2.73Å; R1022-D1031 IonicContact CZ-OD2 3.47Å; R1022-D1031 VanDerWaalsContact CZ-OD2 3.31Å; R1022-D1031 IonicContact NE-OD1 2.99Å; R1022-D1031 PolarHBondContact NE-OD1 2.89Å; R1022-D1031 IonicContact NE-OD2 3.58Å; R1022-D1031 PolarHBondContact NE-OD2 3.12Å; R1022-D1031 VanDerWaalsContact NE-OD2 3.11Å; R1022-D1031 IonicContact NH2-OD1 2.83Å; R1022-D1031 IonicContact NH2-OD2 2.79Å; R1022-D1031 PolarHBondContact NH2-OD2 3.27Å
1023	P	72.7	Confident	81.9	Confident	14 Å²	14	68.9 Å²	68.9	9%	0.091	34%	0.338	C	S	.	.			trans	-63.5	140.3	178.9	26.8	-33.6	0	0	0	111.1	Y1021 D1025 K1026 Q1027 F1068	Y1021-P1023 HydrophobicContact CD1-CG 4.15Å; Y1021-P1023 HydrophobicContact CE1-CB 3.87Å; Y1021-P1023 HydrophobicContact CE1-CG 3.8Å; Y1021-P1023 VanDerWaalsContact O-CD 3.26Å; Y1021-P1023 WeakPolarHBondContact O-CD 3.43Å; P1023-D1025 PolarHBondContact O-N 3.03Å; P1023-K1026 HydrophobicContact CG-CB 4.22Å; P1023-K1026 PolarHBondContact O-N 3.08Å; P1023-Q1027 VanDerWaalsContact O-CG 3.26Å; P1023-Q1027 WeakPolarHBondContact O-CG 3.46Å; P1023-Q1027 PolarHBondContact O-N 3.22Å; P1023-F1068 HydrophobicContact CG-CD1 3.96Å; P1023-F1068 HydrophobicContact CG-CE1 3.91Å
1024	K	70.7	Confident	81.6	Confident	156 Å²	156	70.1 Å²	70.1	68%	0.678	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-56.3	-38.5	-173.6	-70.2	-175.3	178.2	179.6	0	112.8	K1026 Q1027	K1024-K1026 PolarHBondContact O-N 3.19Å; K1024-Q1027 WeakPolarHBondContact O-CG 3.43Å
1025	D	70.7	Confident	81.4	Confident	90 Å²	90	71.5 Å²	71.5	48%	0.481	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-83.1	-9.8	-172.4	0.6	-61.4	0	0	0	113.2	P1023	P1023-D1025 PolarHBondContact O-N 3.03Å
1026	K	80.8	Confident	81.4	Confident	110 Å²	110	75.1 Å²	75.1	48%	0.478	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-134.9	26.3	-180	-58.8	-175	-178.5	178.9	0	113.6	P1023 K1024 A1028 L1029 A1030 F1068	P1023-K1026 HydrophobicContact CG-CB 4.22Å; P1023-K1026 PolarHBondContact O-N 3.08Å; K1024-K1026 PolarHBondContact O-N 3.19Å; K1026-A1028 PolarHBondContact O-N 2.85Å; K1026-L1029 PolarHBondContact O-N 3.3Å; K1026-L1029 VanDerWaalsContact O-N 3.17Å; K1026-A1030 PolarHBondContact O-N 2.75Å; K1026-F1068 HydrophobicContact CB-CE1 4.07Å; K1026-F1068 HydrophobicContact CB-CZ 4.2Å; K1026-F1068 HydrophobicContact CD-CE1 4.3Å; K1026-F1068 HydrophobicContact CD-CZ 4.24Å
1027	Q	76.3	Confident	81.5	Confident	68 Å²	68	74.8 Å²	74.8	32%	0.318	37%	0.368	S	S	.	.	H	α-helix	trans	-52.1	-54.2	-176.2	-69.2	-171.3	0.1	0	0	112.7	R1022 P1023 K1024 L1029 A1030 D1031	R1022-Q1027 HydrophobicContact CG-CG 4.06Å; R1022-Q1027 VanDerWaalsContact NH1-CD 3.34Å; R1022-Q1027 VanDerWaalsContact NH1-OE1 3.1Å; P1023-Q1027 VanDerWaalsContact O-CG 3.26Å; P1023-Q1027 WeakPolarHBondContact O-CG 3.46Å; P1023-Q1027 PolarHBondContact O-N 3.22Å; K1024-Q1027 WeakPolarHBondContact O-CG 3.43Å; Q1027-L1029 VanDerWaalsContact C-N 3.27Å; Q1027-L1029 PolarHBondContact O-N 2.59Å; Q1027-A1030 PolarHBondContact O-N 2.95Å; Q1027-A1030 VanDerWaalsContact O-N 3.08Å; Q1027-D1031 WeakPolarHBondContact O-CB 3.19Å; Q1027-D1031 PolarHBondContact O-N 3.37Å; Q1027-D1031 VanDerWaalsContact O-OD2 3.11Å
1028	A	83.7	Confident	82.1	Confident	83 Å²	83	71.4 Å²	71.4	69%	0.686	35%	0.352	S	S	*	.	H	α-helix	trans	-58.3	-35.2	-178.5	0	0	0	0	0	113.7	K1026 Q1032	K1026-A1028 PolarHBondContact O-N 2.85Å; A1028-Q1032 VanDerWaalsContact O-CB 3.28Å; A1028-Q1032 WeakPolarHBondContact O-CB 3.3Å; A1028-Q1032 PolarHBondContact O-N 3.05Å
1029	L	85.1	Confident	82.5	Confident	81 Å²	81	67.2 Å²	67.2	42%	0.424	33%	0.329	S	S	.	.	H	α-helix	trans	-75.1	-39.1	176.7	-177.6	62.6	0	0	0	111.9	K1026 Q1027 Q1032 K1033 F1068	K1026-L1029 PolarHBondContact O-N 3.3Å; K1026-L1029 VanDerWaalsContact O-N 3.17Å; Q1027-L1029 VanDerWaalsContact C-N 3.27Å; Q1027-L1029 PolarHBondContact O-N 2.59Å; L1029-Q1032 PolarHBondContact O-N 3.43Å; L1029-K1033 WeakPolarHBondContact O-CB 3.35Å; L1029-K1033 VanDerWaalsContact O-CG 3.24Å; L1029-K1033 WeakPolarHBondContact O-CG 3.4Å; L1029-K1033 PolarHBondContact O-N 3.08Å; L1029-F1068 HydrophobicContact CD2-CE2 4.04Å; L1029-F1068 HydrophobicContact CD2-CZ 3.97Å; L1029-F1068 HydrophobicContact CG-CE2 3.88Å; L1029-F1068 HydrophobicContact CG-CZ 4.16Å
1030	A	82.6	Confident	82.3	Confident	7 Å²	7	69.6 Å²	69.6	6%	0.058	35%	0.349	C	S	.	.	H	α-helix	trans	-63.7	-41.9	173.4	0	0	0	0	0	111.3	K1026 Q1027 K1033 K1034 F1068	K1026-A1030 PolarHBondContact O-N 2.75Å; Q1027-A1030 PolarHBondContact O-N 2.95Å; Q1027-A1030 VanDerWaalsContact O-N 3.08Å; A1030-K1033 PolarHBondContact O-N 2.98Å; A1030-K1034 VanDerWaalsContact O-CB 3.28Å; A1030-K1034 WeakPolarHBondContact O-CB 3.49Å; A1030-K1034 PolarHBondContact O-N 3.48Å; A1030-F1068 HydrophobicContact CB-CB 4.03Å; A1030-F1068 HydrophobicContact CB-CD1 3.92Å; A1030-F1068 HydrophobicContact CB-CD2 4.08Å; A1030-F1068 HydrophobicContact CB-CE1 4.41Å; A1030-F1068 HydrophobicContact CB-CG 3.74Å
1031	D	85.1	Confident	82.3	Confident	57 Å²	57	69.9 Å²	69.9	31%	0.305	35%	0.351	S	S	.	.	H	α-helix	trans	-69	-40.3	177.7	-61	-30.7	0	0	0	111.5	R1022 Q1027 K1034 A1035	R1022-D1031 WeakPolarHBondContact CD-OD1 3.38Å; R1022-D1031 IonicContact CZ-OD1 2.73Å; R1022-D1031 IonicContact CZ-OD2 3.47Å; R1022-D1031 VanDerWaalsContact CZ-OD2 3.31Å; R1022-D1031 IonicContact NE-OD1 2.99Å; R1022-D1031 PolarHBondContact NE-OD1 2.89Å; R1022-D1031 IonicContact NE-OD2 3.58Å; R1022-D1031 PolarHBondContact NE-OD2 3.12Å; R1022-D1031 VanDerWaalsContact NE-OD2 3.11Å; R1022-D1031 IonicContact NH2-OD1 2.83Å; R1022-D1031 IonicContact NH2-OD2 2.79Å; R1022-D1031 PolarHBondContact NH2-OD2 3.27Å; Q1027-D1031 WeakPolarHBondContact O-CB 3.19Å; Q1027-D1031 PolarHBondContact O-N 3.37Å; Q1027-D1031 VanDerWaalsContact O-OD2 3.11Å; D1031-K1034 PolarHBondContact O-N 3.39Å; D1031-A1035 WeakPolarHBondContact O-CB 3.47Å; D1031-A1035 PolarHBondContact O-N 3.47Å
1032	Q	86.2	Confident	82.6	Confident	122 Å²	122	63.4 Å²	63.4	57%	0.57	33%	0.326	S	S	*	.	H	α-helix	trans	-62.5	-42.4	172.2	-171.9	-161.8	65.4	0	0	111.9	A1028 L1029 A1035	A1028-Q1032 VanDerWaalsContact O-CB 3.28Å; A1028-Q1032 WeakPolarHBondContact O-CB 3.3Å; A1028-Q1032 PolarHBondContact O-N 3.05Å; L1029-Q1032 PolarHBondContact O-N 3.43Å; Q1032-A1035 PolarHBondContact O-N 3.27Å
1033	K	86.8	Confident	83.1	Confident	32 Å²	32	57.6 Å²	57.6	14%	0.139	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-43.4	174.8	-77.1	-80.3	-172.1	142.4	0	111	L1029 A1030 A1035 K1036 F1037 E1066 N1067 F1068	L1029-K1033 WeakPolarHBondContact O-CB 3.35Å; L1029-K1033 VanDerWaalsContact O-CG 3.24Å; L1029-K1033 WeakPolarHBondContact O-CG 3.4Å; L1029-K1033 PolarHBondContact O-N 3.08Å; A1030-K1033 PolarHBondContact O-N 2.98Å; K1033-A1035 PolarHBondContact O-N 3.31Å; K1033-K1036 WeakPolarHBondContact O-CB 3.16Å; K1033-K1036 PolarHBondContact O-N 2.98Å; K1033-F1037 WeakPolarHBondContact O-CD2 3.34Å; K1033-E1066 WeakPolarHBondContact CD-O 3.22Å; K1033-E1066 WeakPolarHBondContact CE-O 3.47Å; K1033-E1066 PolarHBondContact NZ-O 2.83Å; K1033-N1067 WeakPolarHBondContact CD-OD1 3.22Å; K1033-N1067 PolarHBondContact NZ-OD1 3.29Å; K1033-F1068 HydrophobicContact CB-CD2 4.31Å; K1033-F1068 HydrophobicContact CG-CD2 4.16Å; K1033-F1068 HydrophobicContact CG-CE2 4.33Å
1034	K	86.1	Confident	84	Confident	29 Å²	29	57 Å²	57	13%	0.126	30%	0.3	C	S	.	.	H	α-helix	trans	-61.4	-42.3	176.3	-169.5	-177.1	173.9	172.5	0	112.2	F1020 A1030 D1031 K1036 F1037 H1038 S1140	F1020-K1034 HydrophobicContact CD1-CD 4.12Å; F1020-K1034 HydrophobicContact CD1-CG 3.92Å; F1020-K1034 HydrophobicContact CD2-CD 4.26Å; F1020-K1034 HydrophobicContact CE1-CD 4.23Å; F1020-K1034 HydrophobicContact CE1-CG 3.7Å; F1020-K1034 HydrophobicContact CE2-CD 4.36Å; F1020-K1034 HydrophobicContact CG-CD 4.13Å; F1020-K1034 HydrophobicContact CG-CG 4.44Å; F1020-K1034 HydrophobicContact CZ-CD 4.33Å; F1020-K1034 HydrophobicContact CZ-CG 4.02Å; A1030-K1034 VanDerWaalsContact O-CB 3.28Å; A1030-K1034 WeakPolarHBondContact O-CB 3.49Å; A1030-K1034 PolarHBondContact O-N 3.48Å; D1031-K1034 PolarHBondContact O-N 3.39Å; K1034-K1036 PolarHBondContact O-N 3.31Å; K1034-K1036 VanDerWaalsContact O-N 3.08Å; K1034-F1037 PolarHBondContact O-N 2.93Å; K1034-H1038 PolarHBondContact O-CD2 3.16Å; K1034-H1038 PolarHBondContact O-N 3.06Å; K1034-S1140 PolarHBondContact NZ-O 2.84Å
1035	A	86.4	Confident	85	Confident	52 Å²	52	49.9 Å²	49.9	43%	0.43	27%	0.27	S	S	.	.	H	α-helix	trans	-58.8	-21.4	177.5	0	0	0	0	0	113.8	D1031 Q1032 K1033 F1037	D1031-A1035 WeakPolarHBondContact O-CB 3.47Å; D1031-A1035 PolarHBondContact O-N 3.47Å; Q1032-A1035 PolarHBondContact O-N 3.27Å; K1033-A1035 PolarHBondContact O-N 3.31Å; A1035-F1037 PolarHBondContact O-N 3.06Å
1036	K	87.6	Confident	86	Confident	101 Å²	101	45.7 Å²	45.7	44%	0.439	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.3	172.5	-58.1	-167.7	177.6	-164.3	0	113.7	K1033 K1034	K1033-K1036 WeakPolarHBondContact O-CB 3.16Å; K1033-K1036 PolarHBondContact O-N 2.98Å; K1034-K1036 PolarHBondContact O-N 3.31Å; K1034-K1036 VanDerWaalsContact O-N 3.08Å
1037	F	87.6	Confident	86.5	Confident	8 Å²	8	41.2 Å²	41.2	4%	0.035	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-14.2	179.8	-57.2	-76.1	0	0	0	113.6	K1033 K1034 A1035 Q1039 T1046 V1050 W1063 N1067 I1069	K1033-F1037 WeakPolarHBondContact O-CD2 3.34Å; K1034-F1037 PolarHBondContact O-N 2.93Å; A1035-F1037 PolarHBondContact O-N 3.06Å; F1037-Q1039 PolarHBondContact O-N 3.01Å; F1037-T1046 HydrophobicContact CB-CG2 4.3Å; F1037-V1050 HydrophobicContact CB-CG2 3.79Å; F1037-V1050 HydrophobicContact CD1-CG2 3.83Å; F1037-V1050 HydrophobicContact CD2-CG2 4.12Å; F1037-V1050 HydrophobicContact CE1-CG2 4.46Å; F1037-V1050 HydrophobicContact CG-CG2 3.64Å; F1037-W1063 HydrophobicContact CE1-CH2 4.03Å; F1037-W1063 AromaticContact CE1-CZ2 3.86Å; F1037-W1063 HydrophobicContact CE1-CZ2 3.86Å; F1037-W1063 AromaticContact CZ-CH2 3.91Å; F1037-W1063 HydrophobicContact CZ-CH2 3.91Å; F1037-W1063 AromaticContact CZ-CZ2 3.72Å; F1037-W1063 HydrophobicContact CZ-CZ2 3.72Å; F1037-N1067 HydrophobicContact CE2-CB 4.18Å; F1037-N1067 HydrophobicContact CZ-CB 4.26Å; F1037-I1069 HydrophobicContact CE2-CD1 4.32Å; F1037-I1069 HydrophobicContact CZ-CD1 4.38Å
1038	H	86.9	Confident	87.2	Confident	63 Å²	63	38.7 Å²	38.7	29%	0.292	22%	0.217	S	C	.	.			trans	-57.5	119.3	-178.3	-74.6	-167.1	0	0	0	111.2	K1034 A1142	K1034-H1038 PolarHBondContact O-CD2 3.16Å; K1034-H1038 PolarHBondContact O-N 3.06Å; H1038-A1142 HydrophobicContact CB-CB 3.95Å
1039	Q	86	Confident	87.5	Confident	20 Å²	20	34.7 Å²	34.7	9%	0.093	18%	0.184	C	C	.	.			trans	-96.3	137	169.5	-62.5	-70.2	28.3	0	0	109.9	D370 F1037 E1041 G1042 L1045 T1046 A1049	D370-Q1039 VanDerWaalsContact C-NE2 3.32Å; D370-Q1039 PolarHBondContact O-NE2 2.84Å; F1037-Q1039 PolarHBondContact O-N 3.01Å; Q1039-E1041 PolarHBondContact O-N 3.11Å; Q1039-G1042 PolarHBondContact O-N 3.15Å; Q1039-L1045 HydrophobicContact CB-CB 4.13Å; Q1039-L1045 HydrophobicContact CG-CB 4.28Å; Q1039-T1046 PolarHBondContact N-OG1 3.21Å; Q1039-A1049 HydrophobicContact CG-CB 4.33Å
1040	A	81.9	Confident	87.9	Confident	55 Å²	55	30.9 Å²	30.9	46%	0.455	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.9	-174.6	0	0	0	0	0	114.3	R1146	A1040-R1146 PolarHBondContact O-NH1 2.97Å
1041	E	84.2	Confident	88.3	Confident	53 Å²	53	31 Å²	31	25%	0.248	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-15.9	-175.5	-62.7	159.7	138.7	0	0	113.1	Q1039 L1045 T1102 Q1106 T1169	Q1039-E1041 PolarHBondContact O-N 3.11Å; E1041-L1045 HydrophobicContact CB-CD1 3.57Å; E1041-L1045 HydrophobicContact CG-CD1 4.45Å; E1041-T1102 WeakPolarHBondContact OE1-CB 3.46Å; E1041-T1102 PolarHBondContact OE1-OG1 2.89Å; E1041-T1102 WeakPolarHBondContact OE2-CG2 3.43Å; E1041-Q1106 PolarHBondContact O-NE2 3.19Å; E1041-T1169 PolarHBondContact O-N 3.29Å; E1041-T1169 PolarHBondContact O-OG1 3.02Å
1042	G	88.1	Confident	88.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	144.8	175.5	173.6	0	0	0	0	0	117	Q1039 T1046 V1167	Q1039-G1042 PolarHBondContact O-N 3.15Å; G1042-T1046 PolarHBondContact O-N 3.33Å; G1042-T1046 VanDerWaalsContact O-N 3.16Å; G1042-T1046 PolarHBondContact O-OG1 3.27Å; G1042-V1167 CarbonylContact C-O 3.56Å; G1042-V1167 VanDerWaalsContact CA-O 3.24Å; G1042-V1167 WeakPolarHBondContact CA-O 3.47Å
1043	D	89.9	Confident	88.8	Confident	9 Å²	9	24 Å²	24	5%	0.048	13%	0.13	C	C	.	.	H	α-helix	trans	-68.9	-38	-178.9	-70.8	-43.8	0	0	0	112.6	L1045 T1046 L1047 S1141 A1142 E1166 V1167	D1043-L1045 VanDerWaalsContact C-N 3.28Å; D1043-L1045 PolarHBondContact O-N 3.21Å; D1043-T1046 CarbonylContact O-C 3.53Å; D1043-T1046 WeakPolarHBondContact O-CA 3.5Å; D1043-T1046 VanDerWaalsContact O-CB 3.29Å; D1043-T1046 WeakPolarHBondContact O-CB 3.48Å; D1043-T1046 PolarHBondContact O-N 3.37Å; D1043-L1047 WeakPolarHBondContact O-CG 3.18Å; D1043-L1047 PolarHBondContact O-N 3.29Å; D1043-S1141 WeakPolarHBondContact OD1-CA 3.29Å; D1043-S1141 PolarHBondContact OD1-OG 2.78Å; D1043-S1141 VanDerWaalsContact OD2-CB 3.25Å; D1043-S1141 WeakPolarHBondContact OD2-CB 3.12Å; D1043-S1141 PolarHBondContact OD2-OG 3.21Å; D1043-A1142 WeakPolarHBondContact OD1-CB 3.25Å; D1043-A1142 PolarHBondContact OD1-N 3Å; D1043-E1166 HydrophobicContact CB-CB 4.29Å; D1043-V1167 PolarHBondContact N-O 3.07Å; D1043-V1167 PolarHBondContact OD2-N 2.78Å
1044	H	91.4	Very high	89.1	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-55.1	-42.9	176.6	-68	98.7	0	0	0	112.5	I1010 L1047 L1048 I1109 E1166 T1168	I1010-H1044 HydrophobicContact CD1-CB 4.49Å; I1010-H1044 HydrophobicContact CG2-CB 4.11Å; H1044-L1047 PolarHBondContact O-N 3.45Å; H1044-L1048 PolarHBondContact O-N 3.11Å; H1044-L1048 VanDerWaalsContact O-N 3.13Å; H1044-I1109 HydrophobicContact CB-CD1 3.64Å; H1044-E1166 PolarHBondContact CE1-O 3.1Å; H1044-E1166 PolarHBondContact ND1-O 2.84Å; H1044-T1168 PolarHBondContact ND1-OG1 2.82Å
1045	L	91.1	Very high	89.2	Confident	8 Å²	8	24.9 Å²	24.9	4%	0.042	13%	0.134	C	C	.	.	H	α-helix	trans	-78.2	-26.8	178.3	-68.5	163.9	0	0	0	112	Q1039 E1041 D1043 L1048 A1049 V1105 Q1106	Q1039-L1045 HydrophobicContact CB-CB 4.13Å; Q1039-L1045 HydrophobicContact CG-CB 4.28Å; E1041-L1045 HydrophobicContact CB-CD1 3.57Å; E1041-L1045 HydrophobicContact CG-CD1 4.45Å; D1043-L1045 VanDerWaalsContact C-N 3.28Å; D1043-L1045 PolarHBondContact O-N 3.21Å; L1045-L1048 HydrophobicContact CD2-CD2 4.03Å; L1045-L1048 PolarHBondContact O-N 3.27Å; L1045-A1049 WeakPolarHBondContact O-CB 3.38Å; L1045-A1049 PolarHBondContact O-N 3.38Å; L1045-V1105 HydrophobicContact CD2-CB 4.24Å; L1045-V1105 HydrophobicContact CD2-CG1 4.01Å; L1045-Q1106 HydrophobicContact CD1-CG 4.26Å
1046	T	91.5	Very high	89.4	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-39.4	168.2	-60.4	0	0	0	0	111.5	F1020 F1037 Q1039 G1042 D1043 V1050	F1020-T1046 HydrophobicContact CZ-CG2 4.37Å; F1037-T1046 HydrophobicContact CB-CG2 4.3Å; Q1039-T1046 PolarHBondContact N-OG1 3.21Å; G1042-T1046 PolarHBondContact O-N 3.33Å; G1042-T1046 VanDerWaalsContact O-N 3.16Å; G1042-T1046 PolarHBondContact O-OG1 3.27Å; D1043-T1046 CarbonylContact O-C 3.53Å; D1043-T1046 WeakPolarHBondContact O-CA 3.5Å; D1043-T1046 VanDerWaalsContact O-CB 3.29Å; D1043-T1046 WeakPolarHBondContact O-CB 3.48Å; D1043-T1046 PolarHBondContact O-N 3.37Å; T1046-V1050 WeakPolarHBondContact O-CG2 3.42Å; T1046-V1050 PolarHBondContact O-N 2.81Å; T1046-V1050 VanDerWaalsContact O-N 3.11Å
1047	L	91.6	Very high	89.6	Confident	17 Å²	17	24.5 Å²	24.5	9%	0.089	13%	0.129	C	C	.	.	H	α-helix	trans	-67.3	-41.6	173.8	-67.3	173.6	0	0	0	112.1	M1013 L1014 F1020 D1043 H1044 V1050 Y1051 E1166	M1013-L1047 HydrophobicContact CB-CB 4.16Å; M1013-L1047 HydrophobicContact CB-CD1 4.38Å; M1013-L1047 HydrophobicContact CE-CB 4.29Å; M1013-L1047 HydrophobicContact CE-CD2 4.28Å; M1013-L1047 WeakPolarHBondContact CE-O 3.38Å; L1014-L1047 HydrophobicContact CD2-CD1 3.91Å; F1020-L1047 HydrophobicContact CE2-CD2 4.2Å; D1043-L1047 WeakPolarHBondContact O-CG 3.18Å; D1043-L1047 PolarHBondContact O-N 3.29Å; H1044-L1047 PolarHBondContact O-N 3.45Å; L1047-V1050 PolarHBondContact O-N 3.34Å; L1047-Y1051 PolarHBondContact O-N 3.2Å; L1047-Y1051 VanDerWaalsContact O-N 3.08Å; L1047-E1166 HydrophobicContact CD1-CG 4.37Å
1048	L	91.4	Very high	89.7	Confident	14 Å²	14	32.9 Å²	32.9	7%	0.073	17%	0.166	C	C	.	.	H	α-helix	trans	-57.5	-49	173.5	179.7	63.7	0	0	0	111.4	E1006 T1009 I1010 H1044 L1045 V1050 Y1051 N1052	E1006-L1048 HydrophobicContact CB-CD1 4.36Å; E1006-L1048 HydrophobicContact CB-CD2 3.88Å; E1006-L1048 HydrophobicContact CG-CD2 3.89Å; T1009-L1048 HydrophobicContact CG2-CD1 3.83Å; I1010-L1048 HydrophobicContact CD1-CB 4.4Å; I1010-L1048 HydrophobicContact CD1-CD2 4.43Å; I1010-L1048 HydrophobicContact CG1-CB 4.06Å; H1044-L1048 PolarHBondContact O-N 3.11Å; H1044-L1048 VanDerWaalsContact O-N 3.13Å; L1045-L1048 HydrophobicContact CD2-CD2 4.03Å; L1045-L1048 PolarHBondContact O-N 3.27Å; L1048-V1050 VanDerWaalsContact C-N 3.32Å; L1048-V1050 PolarHBondContact O-N 3.18Å; L1048-Y1051 PolarHBondContact O-N 3.28Å; L1048-Y1051 VanDerWaalsContact O-N 3.12Å; L1048-N1052 PolarHBondContact O-N 2.81Å
1049	A	90.8	Very high	89.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.3	-37.7	178.6	0	0	0	0	0	113.3	D370 Q1039 L1045 S1053	D370-A1049 HydrophobicContact CB-CB 4.37Å; Q1039-A1049 HydrophobicContact CG-CB 4.33Å; L1045-A1049 WeakPolarHBondContact O-CB 3.38Å; L1045-A1049 PolarHBondContact O-N 3.38Å; A1049-S1053 VanDerWaalsContact O-CB 3.25Å; A1049-S1053 WeakPolarHBondContact O-CB 3.41Å; A1049-S1053 PolarHBondContact O-N 2.68Å; A1049-S1053 PolarHBondContact O-OG 3.11Å
1050	V	92.2	Very high	89.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.9	-47.2	172.4	165.8	0	0	0	0	111.2	M1013 V1019 F1020 F1037 T1046 L1047 L1048 S1053 W1054 I1069 L1074	M1013-V1050 HydrophobicContact CE-CG1 4.23Å; V1019-V1050 HydrophobicContact CG1-CG1 4.19Å; F1020-V1050 HydrophobicContact CE1-CG2 3.94Å; F1020-V1050 HydrophobicContact CZ-CG2 3.85Å; F1037-V1050 HydrophobicContact CB-CG2 3.79Å; F1037-V1050 HydrophobicContact CD1-CG2 3.83Å; F1037-V1050 HydrophobicContact CD2-CG2 4.12Å; F1037-V1050 HydrophobicContact CE1-CG2 4.46Å; F1037-V1050 HydrophobicContact CG-CG2 3.64Å; T1046-V1050 WeakPolarHBondContact O-CG2 3.42Å; T1046-V1050 PolarHBondContact O-N 2.81Å; T1046-V1050 VanDerWaalsContact O-N 3.11Å; L1047-V1050 PolarHBondContact O-N 3.34Å; L1048-V1050 VanDerWaalsContact C-N 3.32Å; L1048-V1050 PolarHBondContact O-N 3.18Å; V1050-S1053 PolarHBondContact O-N 3.48Å; V1050-W1054 PolarHBondContact O-N 2.75Å; V1050-I1069 HydrophobicContact CG1-CD1 3.84Å; V1050-I1069 HydrophobicContact CG1-CG1 4.48Å; V1050-L1074 HydrophobicContact CG1-CD2 4.3Å
1051	Y	91.9	Very high	90	Very high	9 Å²	9	35.5 Å²	35.5	4%	0.035	18%	0.175	C	C	.	.	H	α-helix	trans	-65.2	-42.8	179.9	-173	-86.6	0	0	0	112	T1009 M1013 L1047 L1048 W1054 K1055 Q1078 R1081	T1009-Y1051 HydrophobicContact CG2-CD1 3.32Å; T1009-Y1051 HydrophobicContact CG2-CD2 4.26Å; T1009-Y1051 HydrophobicContact CG2-CE1 3.87Å; T1009-Y1051 HydrophobicContact CG2-CG 3.54Å; M1013-Y1051 HydrophobicContact CG-CD2 4.48Å; M1013-Y1051 HydrophobicContact SD-CD2 3.86Å; M1013-Y1051 HydrophobicContact SD-CG 4.47Å; L1047-Y1051 PolarHBondContact O-N 3.2Å; L1047-Y1051 VanDerWaalsContact O-N 3.08Å; L1048-Y1051 PolarHBondContact O-N 3.28Å; L1048-Y1051 VanDerWaalsContact O-N 3.12Å; Y1051-W1054 HydrophobicContact CD2-CE3 4.27Å; Y1051-W1054 HydrophobicContact CE2-CE3 4.18Å; Y1051-W1054 HydrophobicContact CE2-CZ3 4.07Å; Y1051-W1054 PolarHBondContact O-N 2.64Å; Y1051-K1055 HydrophobicContact CE1-CD 4.47Å; Y1051-K1055 WeakPolarHBondContact O-CB 3.44Å; Y1051-K1055 PolarHBondContact O-N 3.49Å; Y1051-Q1078 HydrophobicContact CE2-CB 4.32Å; Y1051-R1081 WeakPolarHBondContact OH-CD 3.33Å
1052	N	90.9	Very high	90.2	Very high	28 Å²	28	36.8 Å²	36.8	15%	0.15	19%	0.188	C	C	.	.	H	α-helix	trans	-66.2	-39.7	177.2	-75.4	-17.2	0	0	0	112.1	D370 L1048 W1054 K1055 N1056	D370-N1052 VanDerWaalsContact OD2-CB 3.29Å; D370-N1052 WeakPolarHBondContact OD2-CB 2.87Å; D370-N1052 PolarHBondContact OD2-ND2 3.2Å; L1048-N1052 PolarHBondContact O-N 2.81Å; N1052-W1054 VanDerWaalsContact C-N 3.3Å; N1052-W1054 PolarHBondContact O-N 3.22Å; N1052-K1055 PolarHBondContact O-N 3.17Å; N1052-N1056 WeakPolarHBondContact O-CB 3.44Å; N1052-N1056 PolarHBondContact O-N 3.47Å; N1052-N1056 PolarHBondContact O-OD1 3.39Å
1053	S	90.9	Very high	90.2	Very high	5 Å²	5	37.8 Å²	37.8	4%	0.035	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-37.3	173.4	-61.2	0	0	0	0	112.4	N368 A1049 V1050 N1057	N368-S1053 PolarHBondContact OD1-OG 3.33Å; A1049-S1053 VanDerWaalsContact O-CB 3.25Å; A1049-S1053 WeakPolarHBondContact O-CB 3.41Å; A1049-S1053 PolarHBondContact O-N 2.68Å; A1049-S1053 PolarHBondContact O-OG 3.11Å; V1050-S1053 PolarHBondContact O-N 3.48Å; S1053-N1057 WeakPolarHBondContact O-CB 3.28Å; S1053-N1057 PolarHBondContact O-N 3.42Å; S1053-N1057 VanDerWaalsContact O-N 3.11Å; S1053-N1057 PolarHBondContact O-ND2 3.22Å
1054	W	91.8	Very high	90	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-72.1	-41	175.1	-177.2	58.1	0	0	0	113.3	V1050 Y1051 N1052 N1056 N1057 K1058 F1059 S1060 W1063 C1064 L1074 R1075 Q1078	V1050-W1054 PolarHBondContact O-N 2.75Å; Y1051-W1054 HydrophobicContact CD2-CE3 4.27Å; Y1051-W1054 HydrophobicContact CE2-CE3 4.18Å; Y1051-W1054 HydrophobicContact CE2-CZ3 4.07Å; Y1051-W1054 PolarHBondContact O-N 2.64Å; N1052-W1054 VanDerWaalsContact C-N 3.3Å; N1052-W1054 PolarHBondContact O-N 3.22Å; W1054-N1056 VanDerWaalsContact C-N 3.34Å; W1054-N1056 PolarHBondContact O-N 2.84Å; W1054-N1057 CarbonylContact O-C 3.44Å; W1054-N1057 PolarHBondContact O-N 2.79Å; W1054-K1058 PolarHBondContact O-N 3.04Å; W1054-F1059 AromaticContact CD2-CD1 3.8Å; W1054-F1059 HydrophobicContact CD2-CD1 3.8Å; W1054-F1059 AromaticContact CE2-CD1 3.95Å; W1054-F1059 AromaticContact CE3-CD1 3.58Å; W1054-F1059 HydrophobicContact CE3-CD1 3.58Å; W1054-F1059 HydrophobicContact CE3-CE1 4.1Å; W1054-F1059 HydrophobicContact CH2-CB 4.19Å; W1054-F1059 AromaticContact CH2-CD1 3.67Å; W1054-F1059 HydrophobicContact CH2-CD1 3.67Å; W1054-F1059 HydrophobicContact CH2-CG 4.31Å; W1054-F1059 HydrophobicContact CZ2-CB 3.69Å; W1054-F1059 AromaticContact CZ2-CD1 3.9Å; W1054-F1059 HydrophobicContact CZ2-CD1 3.9Å; W1054-F1059 HydrophobicContact CZ2-CG 4.27Å; W1054-F1059 AromaticContact CZ3-CD1 3.51Å; W1054-F1059 HydrophobicContact CZ3-CD1 3.51Å; W1054-F1059 HydrophobicContact CZ3-CE1 4.03Å; W1054-F1059 PolarHBondContact NE1-O 2.68Å; W1054-F1059 PolarHBondContact O-N 3.11Å; W1054-S1060 PolarHBondContact NE1-O 2.86Å; W1054-W1063 HydrophobicContact CB-CE3 4.14Å; W1054-W1063 HydrophobicContact CB-CH2 4.17Å; W1054-W1063 HydrophobicContact CB-CZ3 3.64Å; W1054-W1063 AromaticContact CD1-CE3 3.73Å; W1054-W1063 AromaticContact CD1-CZ3 4Å; W1054-W1063 HydrophobicContact CG-CE3 4.32Å; W1054-W1063 HydrophobicContact CG-CZ3 4.17Å; W1054-C1064 PolarHBondContact NE1-SG 3.26Å; W1054-L1074 HydrophobicContact CB-CD1 4.02Å; W1054-L1074 HydrophobicContact CD2-CB 3.97Å; W1054-L1074 HydrophobicContact CD2-CD1 3.6Å; W1054-L1074 HydrophobicContact CD2-CG 4.34Å; W1054-L1074 HydrophobicContact CE3-CB 3.77Å; W1054-L1074 HydrophobicContact CE3-CD1 4.04Å; W1054-L1074 HydrophobicContact CE3-CD2 4.45Å; W1054-L1074 HydrophobicContact CE3-CG 4.33Å; W1054-L1074 HydrophobicContact CG-CD1 3.59Å; W1054-L1074 HydrophobicContact CH2-CB 3.84Å; W1054-L1074 HydrophobicContact CZ2-CB 3.99Å; W1054-L1074 HydrophobicContact CZ3-CB 3.71Å; W1054-L1074 WeakPolarHBondContact CZ3-O 3.49Å; W1054-R1075 HydrophobicContact CH2-CG 3.95Å; W1054-R1075 HydrophobicContact CZ2-CG 4.08Å; W1054-Q1078 HydrophobicContact CZ3-CB 4.22Å
1055	K	89.8	Confident	89.7	Confident	79 Å²	79	46.8 Å²	46.8	34%	0.343	23%	0.227	S	C	.	.	H	α-helix	trans	-56.4	-46.8	173.4	-178.8	-176.5	178.2	-175.6	0	110.6	E1005 Y1051 N1052 K1058 F1059	E1005-K1055 IonicContact OE1-NZ 2.64Å; E1005-K1055 PolarHBondContact OE1-NZ 3.14Å; Y1051-K1055 HydrophobicContact CE1-CD 4.47Å; Y1051-K1055 WeakPolarHBondContact O-CB 3.44Å; Y1051-K1055 PolarHBondContact O-N 3.49Å; N1052-K1055 PolarHBondContact O-N 3.17Å; K1055-K1058 PolarHBondContact O-N 2.93Å; K1055-F1059 HydrophobicContact CB-CE1 4.13Å; K1055-F1059 HydrophobicContact CB-CZ 4.47Å; K1055-F1059 HydrophobicContact CG-CE1 4.34Å; K1055-F1059 HydrophobicContact CG-CZ 4.21Å
1056	N	90.9	Very high	89.4	Confident	103 Å²	103	50.5 Å²	50.5	55%	0.551	24%	0.244	S	C	*	.	H	α-helix	trans	-69.3	-35.3	178.2	-73.5	13.4	0	0	0	112.4	P369 N1052 W1054 K1058	P369-N1056 WeakPolarHBondContact CG-ND2 3.26Å; N1052-N1056 WeakPolarHBondContact O-CB 3.44Å; N1052-N1056 PolarHBondContact O-N 3.47Å; N1052-N1056 PolarHBondContact O-OD1 3.39Å; W1054-N1056 VanDerWaalsContact C-N 3.34Å; W1054-N1056 PolarHBondContact O-N 2.84Å; N1056-K1058 PolarHBondContact O-N 3.42Å
1057	N	90.6	Very high	89.1	Confident	41 Å²	41	51 Å²	51	22%	0.219	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	28.6	170.5	-77.7	-80.1	0	0	0	113.5	S1053 W1054 F1059 S1060 W1063	S1053-N1057 WeakPolarHBondContact O-CB 3.28Å; S1053-N1057 PolarHBondContact O-N 3.42Å; S1053-N1057 VanDerWaalsContact O-N 3.11Å; S1053-N1057 PolarHBondContact O-ND2 3.22Å; W1054-N1057 CarbonylContact O-C 3.44Å; W1054-N1057 PolarHBondContact O-N 2.79Å; N1057-F1059 PolarHBondContact O-N 3.23Å; N1057-F1059 VanDerWaalsContact O-N 3.08Å; N1057-S1060 WeakPolarHBondContact O-CB 3.45Å; N1057-S1060 PolarHBondContact O-N 3.13Å; N1057-W1063 HydrophobicContact CB-CB 4.38Å; N1057-W1063 HydrophobicContact CB-CD2 4.29Å; N1057-W1063 HydrophobicContact CB-CG 3.92Å; N1057-W1063 VanDerWaalsContact CG-CD1 3.44Å; N1057-W1063 PolarHBondContact ND2-NE1 3.07Å
1058	K	89.4	Confident	88.8	Confident	185 Å²	185	51.7 Å²	51.7	80%	0.804	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	36	173.1	-58.5	179.7	-177.4	173.5	0	114.1	W1054 K1055 N1056 S1060	W1054-K1058 PolarHBondContact O-N 3.04Å; K1055-K1058 PolarHBondContact O-N 2.93Å; N1056-K1058 PolarHBondContact O-N 3.42Å; K1058-S1060 PolarHBondContact O-N 3.24Å
1059	F	88.9	Confident	88.6	Confident	73 Å²	73	51.4 Å²	51.4	32%	0.32	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	26.5	-178.8	-47.8	-67.5	0	0	0	114.6	W1054 K1055 N1057 N1061 Q1078	W1054-F1059 AromaticContact CD2-CD1 3.8Å; W1054-F1059 HydrophobicContact CD2-CD1 3.8Å; W1054-F1059 AromaticContact CE2-CD1 3.95Å; W1054-F1059 AromaticContact CE3-CD1 3.58Å; W1054-F1059 HydrophobicContact CE3-CD1 3.58Å; W1054-F1059 HydrophobicContact CE3-CE1 4.1Å; W1054-F1059 HydrophobicContact CH2-CB 4.19Å; W1054-F1059 AromaticContact CH2-CD1 3.67Å; W1054-F1059 HydrophobicContact CH2-CD1 3.67Å; W1054-F1059 HydrophobicContact CH2-CG 4.31Å; W1054-F1059 HydrophobicContact CZ2-CB 3.69Å; W1054-F1059 AromaticContact CZ2-CD1 3.9Å; W1054-F1059 HydrophobicContact CZ2-CD1 3.9Å; W1054-F1059 HydrophobicContact CZ2-CG 4.27Å; W1054-F1059 AromaticContact CZ3-CD1 3.51Å; W1054-F1059 HydrophobicContact CZ3-CD1 3.51Å; W1054-F1059 HydrophobicContact CZ3-CE1 4.03Å; W1054-F1059 PolarHBondContact NE1-O 2.68Å; W1054-F1059 PolarHBondContact O-N 3.11Å; K1055-F1059 HydrophobicContact CB-CE1 4.13Å; K1055-F1059 HydrophobicContact CB-CZ 4.47Å; K1055-F1059 HydrophobicContact CG-CE1 4.34Å; K1055-F1059 HydrophobicContact CG-CZ 4.21Å; N1057-F1059 PolarHBondContact O-N 3.23Å; N1057-F1059 VanDerWaalsContact O-N 3.08Å; F1059-N1061 PolarHBondContact O-N 2.79Å; F1059-Q1078 VanDerWaalsContact CZ-NE2 3.3Å
1060	S	86.9	Confident	88.3	Confident	41 Å²	41	55.2 Å²	55.2	29%	0.287	27%	0.265	S	S	.	.			trans	-57.1	128.9	-177.1	176.1	0	0	0	0	113.7	W1054 N1057 K1058 P1062 W1063 C1064	W1054-S1060 PolarHBondContact NE1-O 2.86Å; N1057-S1060 WeakPolarHBondContact O-CB 3.45Å; N1057-S1060 PolarHBondContact O-N 3.13Å; K1058-S1060 PolarHBondContact O-N 3.24Å; S1060-P1062 WeakPolarHBondContact OG-CD 3.19Å; S1060-W1063 PolarHBondContact OG-N 3.47Å; S1060-C1064 PolarHBondContact O-SG 2.79Å
1061	N	85.8	Confident	87.9	Confident	78 Å²	78	56.3 Å²	56.3	42%	0.417	27%	0.274	S	S	.	.	H	α-helix	trans	-70.4	-44.8	173	-74.6	-0.3	0	0	0	112.7	F1059 W1063 C1064 Y1065 R1075	F1059-N1061 PolarHBondContact O-N 2.79Å; N1061-W1063 VanDerWaalsContact C-N 3.31Å; N1061-W1063 PolarHBondContact O-N 3.43Å; N1061-C1064 WeakPolarHBondContact O-CB 3.44Å; N1061-C1064 PolarHBondContact O-N 3.36Å; N1061-C1064 VanDerWaalsContact O-N 3.15Å; N1061-Y1065 PolarHBondContact O-N 3.29Å; N1061-R1075 PolarHBondContact ND2-NH2 2.86Å; N1061-R1075 PolarHBondContact OD1-NH2 2.92Å
1062	P	87.9	Confident	87.4	Confident	81 Å²	81	63.4 Å²	63.4	53%	0.526	30%	0.301	S	S	.	.	H	α-helix	trans	-53.6	-42.9	173.5	-30.7	35.6	0	0	0	114.1	S1060 C1064 Y1065 E1066	S1060-P1062 WeakPolarHBondContact OG-CD 3.19Å; P1062-C1064 VanDerWaalsContact C-N 3.25Å; P1062-C1064 PolarHBondContact O-N 3.35Å; P1062-Y1065 WeakPolarHBondContact O-CB 3.5Å; P1062-Y1065 PolarHBondContact O-N 3.4Å; P1062-E1066 PolarHBondContact O-N 2.84Å
1063	W	88.6	Confident	87.2	Confident	21 Å²	21	62.5 Å²	62.5	8%	0.08	30%	0.297	C	S	.	.	H	α-helix	trans	-59.1	-37	178.3	-179.9	93.2	0	0	0	112.3	F1037 W1054 N1057 S1060 N1061 N1067 I1069	F1037-W1063 HydrophobicContact CE1-CH2 4.03Å; F1037-W1063 AromaticContact CE1-CZ2 3.86Å; F1037-W1063 HydrophobicContact CE1-CZ2 3.86Å; F1037-W1063 AromaticContact CZ-CH2 3.91Å; F1037-W1063 HydrophobicContact CZ-CH2 3.91Å; F1037-W1063 AromaticContact CZ-CZ2 3.72Å; F1037-W1063 HydrophobicContact CZ-CZ2 3.72Å; W1054-W1063 HydrophobicContact CB-CE3 4.14Å; W1054-W1063 HydrophobicContact CB-CH2 4.17Å; W1054-W1063 HydrophobicContact CB-CZ3 3.64Å; W1054-W1063 AromaticContact CD1-CE3 3.73Å; W1054-W1063 AromaticContact CD1-CZ3 4Å; W1054-W1063 HydrophobicContact CG-CE3 4.32Å; W1054-W1063 HydrophobicContact CG-CZ3 4.17Å; N1057-W1063 HydrophobicContact CB-CB 4.38Å; N1057-W1063 HydrophobicContact CB-CD2 4.29Å; N1057-W1063 HydrophobicContact CB-CG 3.92Å; N1057-W1063 VanDerWaalsContact CG-CD1 3.44Å; N1057-W1063 PolarHBondContact ND2-NE1 3.07Å; S1060-W1063 PolarHBondContact OG-N 3.47Å; N1061-W1063 VanDerWaalsContact C-N 3.31Å; N1061-W1063 PolarHBondContact O-N 3.43Å; W1063-N1067 PolarHBondContact NE1-ND2 2.82Å; W1063-N1067 PolarHBondContact O-N 3.11Å; W1063-N1067 PolarHBondContact O-ND2 3.42Å; W1063-I1069 HydrophobicContact CH2-CD1 3.76Å; W1063-I1069 HydrophobicContact CZ3-CD1 3.66Å
1064	C	86	Confident	87	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.007	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-43.6	174.6	-59.8	0	0	0	0	111.5	W1054 S1060 N1061 P1062 N1067 F1068 I1069 A1071	W1054-C1064 PolarHBondContact NE1-SG 3.26Å; S1060-C1064 PolarHBondContact O-SG 2.79Å; N1061-C1064 WeakPolarHBondContact O-CB 3.44Å; N1061-C1064 PolarHBondContact O-N 3.36Å; N1061-C1064 VanDerWaalsContact O-N 3.15Å; P1062-C1064 VanDerWaalsContact C-N 3.25Å; P1062-C1064 PolarHBondContact O-N 3.35Å; C1064-N1067 CarbonylContact O-C 3.5Å; C1064-N1067 PolarHBondContact O-N 2.91Å; C1064-F1068 PolarHBondContact O-N 2.97Å; C1064-F1068 VanDerWaalsContact O-N 3.1Å; C1064-I1069 HydrophobicContact CB-CB 4.38Å; C1064-I1069 WeakPolarHBondContact CB-O 3.44Å; C1064-I1069 PolarHBondContact O-N 3.39Å; C1064-A1071 HydrophobicContact CB-CB 3.84Å
1065	Y	84	Confident	86.8	Confident	196 Å²	196	67.9 Å²	67.9	77%	0.769	32%	0.316	S	S	*	.	H	α-helix	trans	-64.5	-45.9	179.9	-175.3	-104.7	0	0	0	111.9	N1061 P1062 N1067 F1068	N1061-Y1065 PolarHBondContact O-N 3.29Å; P1062-Y1065 WeakPolarHBondContact O-CB 3.5Å; P1062-Y1065 PolarHBondContact O-N 3.4Å; Y1065-N1067 PolarHBondContact O-N 2.73Å; Y1065-F1068 PolarHBondContact O-N 2.99Å
1066	E	85.6	Confident	86.6	Confident	87 Å²	87	68 Å²	68	41%	0.407	32%	0.315	S	S	.	.	H	α-helix	trans	-61.8	-25	177.3	-73.2	176.2	-151.6	0	0	114.1	K1033 P1062	K1033-E1066 WeakPolarHBondContact CD-O 3.22Å; K1033-E1066 WeakPolarHBondContact CE-O 3.47Å; K1033-E1066 PolarHBondContact NZ-O 2.83Å; P1062-E1066 PolarHBondContact O-N 2.84Å
1067	N	86.2	Confident	86.6	Confident	12 Å²	12	63.1 Å²	63.1	6%	0.064	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	11.1	-178.4	-64.6	-65.9	0	0	0	113.1	K1033 F1037 W1063 C1064 Y1065 I1069	K1033-N1067 WeakPolarHBondContact CD-OD1 3.22Å; K1033-N1067 PolarHBondContact NZ-OD1 3.29Å; F1037-N1067 HydrophobicContact CE2-CB 4.18Å; F1037-N1067 HydrophobicContact CZ-CB 4.26Å; W1063-N1067 PolarHBondContact NE1-ND2 2.82Å; W1063-N1067 PolarHBondContact O-N 3.11Å; W1063-N1067 PolarHBondContact O-ND2 3.42Å; C1064-N1067 CarbonylContact O-C 3.5Å; C1064-N1067 PolarHBondContact O-N 2.91Å; Y1065-N1067 PolarHBondContact O-N 2.73Å; N1067-I1069 VanDerWaalsContact C-N 3.34Å; N1067-I1069 HydrophobicContact CB-CD1 3.85Å; N1067-I1069 HydrophobicContact CB-CG1 4.44Å; N1067-I1069 PolarHBondContact O-N 2.91Å
1068	F	85.3	Confident	86.5	Confident	30 Å²	30	64 Å²	64	13%	0.132	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	43	179	-61.9	-95.6	0	0	0	113.6	Y1021 P1023 K1026 L1029 A1030 K1033 C1064 Y1065	Y1021-F1068 PolarHBondContact N-O 3.45Å; Y1021-F1068 WeakPolarHBondContact O-CB 3.26Å; P1023-F1068 HydrophobicContact CG-CD1 3.96Å; P1023-F1068 HydrophobicContact CG-CE1 3.91Å; K1026-F1068 HydrophobicContact CB-CE1 4.07Å; K1026-F1068 HydrophobicContact CB-CZ 4.2Å; K1026-F1068 HydrophobicContact CD-CE1 4.3Å; K1026-F1068 HydrophobicContact CD-CZ 4.24Å; L1029-F1068 HydrophobicContact CD2-CE2 4.04Å; L1029-F1068 HydrophobicContact CD2-CZ 3.97Å; L1029-F1068 HydrophobicContact CG-CE2 3.88Å; L1029-F1068 HydrophobicContact CG-CZ 4.16Å; A1030-F1068 HydrophobicContact CB-CB 4.03Å; A1030-F1068 HydrophobicContact CB-CD1 3.92Å; A1030-F1068 HydrophobicContact CB-CD2 4.08Å; A1030-F1068 HydrophobicContact CB-CE1 4.41Å; A1030-F1068 HydrophobicContact CB-CG 3.74Å; K1033-F1068 HydrophobicContact CB-CD2 4.31Å; K1033-F1068 HydrophobicContact CG-CD2 4.16Å; K1033-F1068 HydrophobicContact CG-CE2 4.33Å; C1064-F1068 PolarHBondContact O-N 2.97Å; C1064-F1068 VanDerWaalsContact O-N 3.1Å; Y1065-F1068 PolarHBondContact O-N 2.99Å
1069	I	86.8	Confident	86.4	Confident	9 Å²	9	59 Å²	59	5%	0.046	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-113.9	139.7	-179.9	-64.9	158.1	0	0	0	110.5	V1019 F1020 F1037 V1050 W1063 C1064 N1067 A1071 L1074	V1019-I1069 HydrophobicContact CG1-CG2 3.57Å; F1020-I1069 HydrophobicContact CD1-CG1 4.4Å; F1037-I1069 HydrophobicContact CE2-CD1 4.32Å; F1037-I1069 HydrophobicContact CZ-CD1 4.38Å; V1050-I1069 HydrophobicContact CG1-CD1 3.84Å; V1050-I1069 HydrophobicContact CG1-CG1 4.48Å; W1063-I1069 HydrophobicContact CH2-CD1 3.76Å; W1063-I1069 HydrophobicContact CZ3-CD1 3.66Å; C1064-I1069 HydrophobicContact CB-CB 4.38Å; C1064-I1069 WeakPolarHBondContact CB-O 3.44Å; C1064-I1069 PolarHBondContact O-N 3.39Å; N1067-I1069 VanDerWaalsContact C-N 3.34Å; N1067-I1069 HydrophobicContact CB-CD1 3.85Å; N1067-I1069 HydrophobicContact CB-CG1 4.44Å; N1067-I1069 PolarHBondContact O-N 2.91Å; I1069-A1071 PolarHBondContact O-N 3.21Å; I1069-L1074 HydrophobicContact CG2-CD1 3.43Å; I1069-L1074 VanDerWaalsContact CG2-CD1 3.43Å; I1069-L1074 HydrophobicContact CG2-CD2 4.43Å; I1069-L1074 HydrophobicContact CG2-CG 3.79Å
1070	Q	83.3	Confident	86.5	Confident	79 Å²	79	55.6 Å²	55.6	37%	0.369	26%	0.258	S	S	.	.			trans	-78.1	99.6	178.8	-59.6	-167.1	44.8	0	0	111.4	N1018 V1019 R1072 S1073 L1074	N1018-Q1070 PolarHBondContact O-NE2 3.41Å; V1019-Q1070 PolarHBondContact O-N 3.08Å; Q1070-R1072 PolarHBondContact O-N 3.31Å; Q1070-R1072 VanDerWaalsContact O-N 3.13Å; Q1070-S1073 WeakPolarHBondContact O-CB 3.27Å; Q1070-S1073 PolarHBondContact O-N 3.49Å; Q1070-L1074 PolarHBondContact O-N 2.75Å; Q1070-L1074 VanDerWaalsContact O-N 3.15Å
1071	A	83.6	Confident	86.7	Confident	23 Å²	23	55.2 Å²	55.2	19%	0.19	25%	0.251	C	S	.	.	H	α-helix	trans	-56.9	-29.3	179.8	0	0	0	0	0	114	C1064 I1069 R1075	C1064-A1071 HydrophobicContact CB-CB 3.84Å; I1069-A1071 PolarHBondContact O-N 3.21Å; A1071-R1075 WeakPolarHBondContact O-CG 3.21Å; A1071-R1075 PolarHBondContact O-N 3.47Å; A1071-R1075 VanDerWaalsContact O-N 3.11Å
1072	R	82.1	Confident	86.9	Confident	158 Å²	158	59.1 Å²	59.1	60%	0.596	26%	0.264	S	S	*	.	H	α-helix	trans	-65.8	-42.9	173.9	-174	-174.2	-71.5	-162.3	-4	111.6	S820 Q1070 R1076	S820-R1072 PolarHBondContact OG-NH1 2.82Å; Q1070-R1072 PolarHBondContact O-N 3.31Å; Q1070-R1072 VanDerWaalsContact O-N 3.13Å; R1072-R1076 PolarHBondContact O-N 2.93Å; R1072-R1076 VanDerWaalsContact O-N 3.08Å
1073	S	86	Confident	86.8	Confident	10 Å²	10	58 Å²	58	7%	0.07	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-42.9	177.7	-59.1	0	0	0	0	111.4	Q1017 Q1070 R1076 A1077	Q1017-S1073 PolarHBondContact O-OG 3.33Å; Q1070-S1073 WeakPolarHBondContact O-CB 3.27Å; Q1070-S1073 PolarHBondContact O-N 3.49Å; S1073-R1076 PolarHBondContact O-N 3.5Å; S1073-A1077 PolarHBondContact O-N 2.97Å
1074	L	88.3	Confident	86.8	Confident	0 Å²	0	57 Å²	57	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-41.5	176.9	-73.3	-176.5	0	0	0	113.5	M1013 V1019 V1050 W1054 I1069 Q1070 A1077 Q1078	M1013-L1074 HydrophobicContact CE-CD2 3.68Å; M1013-L1074 HydrophobicContact SD-CD2 3.81Å; V1019-L1074 HydrophobicContact CG1-CD2 3.86Å; V1019-L1074 HydrophobicContact CG1-CG 4.26Å; V1050-L1074 HydrophobicContact CG1-CD2 4.3Å; W1054-L1074 HydrophobicContact CB-CD1 4.02Å; W1054-L1074 HydrophobicContact CD2-CB 3.97Å; W1054-L1074 HydrophobicContact CD2-CD1 3.6Å; W1054-L1074 HydrophobicContact CD2-CG 4.34Å; W1054-L1074 HydrophobicContact CE3-CB 3.77Å; W1054-L1074 HydrophobicContact CE3-CD1 4.04Å; W1054-L1074 HydrophobicContact CE3-CD2 4.45Å; W1054-L1074 HydrophobicContact CE3-CG 4.33Å; W1054-L1074 HydrophobicContact CG-CD1 3.59Å; W1054-L1074 HydrophobicContact CH2-CB 3.84Å; W1054-L1074 HydrophobicContact CZ2-CB 3.99Å; W1054-L1074 HydrophobicContact CZ3-CB 3.71Å; W1054-L1074 WeakPolarHBondContact CZ3-O 3.49Å; I1069-L1074 HydrophobicContact CG2-CD1 3.43Å; I1069-L1074 VanDerWaalsContact CG2-CD1 3.43Å; I1069-L1074 HydrophobicContact CG2-CD2 4.43Å; I1069-L1074 HydrophobicContact CG2-CG 3.79Å; Q1070-L1074 PolarHBondContact O-N 2.75Å; Q1070-L1074 VanDerWaalsContact O-N 3.15Å; L1074-A1077 WeakPolarHBondContact O-CB 3.44Å; L1074-A1077 PolarHBondContact O-N 3.08Å; L1074-Q1078 PolarHBondContact O-N 3.3Å
1075	R	87.9	Confident	87	Confident	119 Å²	119	59.4 Å²	59.4	45%	0.449	26%	0.26	S	S	.	.	H	α-helix	trans	-60.4	-47.7	172.6	-73.1	172.9	-176.4	-112.1	-2.1	111.2	W1054 N1061 A1071 A1077 Q1078 D1079	W1054-R1075 HydrophobicContact CH2-CG 3.95Å; W1054-R1075 HydrophobicContact CZ2-CG 4.08Å; N1061-R1075 PolarHBondContact ND2-NH2 2.86Å; N1061-R1075 PolarHBondContact OD1-NH2 2.92Å; A1071-R1075 WeakPolarHBondContact O-CG 3.21Å; A1071-R1075 PolarHBondContact O-N 3.47Å; A1071-R1075 VanDerWaalsContact O-N 3.11Å; R1075-A1077 VanDerWaalsContact C-N 3.28Å; R1075-A1077 PolarHBondContact O-N 3.06Å; R1075-Q1078 WeakPolarHBondContact O-CA 3.16Å; R1075-Q1078 VanDerWaalsContact O-CB 3.28Å; R1075-Q1078 WeakPolarHBondContact O-CB 3.45Å; R1075-Q1078 PolarHBondContact O-N 3.49Å; R1075-D1079 PolarHBondContact O-N 3.48Å; R1075-D1079 VanDerWaalsContact O-OD2 3.06Å
1076	R	85	Confident	87.2	Confident	82 Å²	82	51.5 Å²	51.5	31%	0.309	24%	0.239	S	C	.	.	H	α-helix	trans	-60	-37.2	176	-174.2	174.8	170	-170.9	-6.8	112.6	V1016 R1072 S1073 D1079 I1080	V1016-R1076 HydrophobicContact CG2-CB 4.36Å; V1016-R1076 HydrophobicContact CG2-CG 4.12Å; R1072-R1076 PolarHBondContact O-N 2.93Å; R1072-R1076 VanDerWaalsContact O-N 3.08Å; S1073-R1076 PolarHBondContact O-N 3.5Å; R1076-D1079 PolarHBondContact O-N 3.29Å; R1076-I1080 HydrophobicContact CG-CD1 4.04Å; R1076-I1080 WeakPolarHBondContact O-CD1 3.37Å; R1076-I1080 WeakPolarHBondContact O-CG1 3.45Å; R1076-I1080 PolarHBondContact O-N 3.24Å
1077	A	89.8	Confident	87.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-38.9	173	0	0	0	0	0	111.9	S1012 M1013 V1016 S1073 L1074 R1075 I1080 R1081	S1012-A1077 WeakPolarHBondContact CB-O 3.38Å; S1012-A1077 WeakPolarHBondContact O-CB 3.43Å; M1013-A1077 HydrophobicContact CG-CB 4.46Å; M1013-A1077 HydrophobicContact SD-CB 3.7Å; V1016-A1077 HydrophobicContact CG2-CB 4.09Å; S1073-A1077 PolarHBondContact O-N 2.97Å; L1074-A1077 WeakPolarHBondContact O-CB 3.44Å; L1074-A1077 PolarHBondContact O-N 3.08Å; R1075-A1077 VanDerWaalsContact C-N 3.28Å; R1075-A1077 PolarHBondContact O-N 3.06Å; A1077-I1080 PolarHBondContact O-N 2.84Å; A1077-R1081 VanDerWaalsContact O-CB 3.25Å; A1077-R1081 WeakPolarHBondContact O-CB 3.36Å; A1077-R1081 PolarHBondContact O-N 3.33Å
1078	Q	89.8	Confident	87.3	Confident	58 Å²	58	47 Å²	47	27%	0.271	22%	0.217	S	C	.	.	H	α-helix	trans	-63	-40.2	172.9	179.5	176.5	31	0	0	112.2	Y1051 W1054 F1059 L1074 R1075 R1081 K1082	Y1051-Q1078 HydrophobicContact CE2-CB 4.32Å; W1054-Q1078 HydrophobicContact CZ3-CB 4.22Å; F1059-Q1078 VanDerWaalsContact CZ-NE2 3.3Å; L1074-Q1078 PolarHBondContact O-N 3.3Å; R1075-Q1078 WeakPolarHBondContact O-CA 3.16Å; R1075-Q1078 VanDerWaalsContact O-CB 3.28Å; R1075-Q1078 WeakPolarHBondContact O-CB 3.45Å; R1075-Q1078 PolarHBondContact O-N 3.49Å; Q1078-R1081 PolarHBondContact O-N 3.29Å; Q1078-K1082 WeakPolarHBondContact O-CB 3.38Å; Q1078-K1082 PolarHBondContact O-N 3.42Å
1079	D	87.4	Confident	87.5	Confident	82 Å²	82	50 Å²	50	44%	0.439	24%	0.235	S	C	.	.	H	α-helix	trans	-67.8	-43.9	177.1	-61.4	-44.7	0	0	0	111.8	R1075 R1076 R1081 K1082 Q1083	R1075-D1079 PolarHBondContact O-N 3.48Å; R1075-D1079 VanDerWaalsContact O-OD2 3.06Å; R1076-D1079 PolarHBondContact O-N 3.29Å; D1079-R1081 PolarHBondContact O-N 3.21Å; D1079-K1082 PolarHBondContact O-N 2.68Å; D1079-Q1083 PolarHBondContact O-N 2.94Å
1080	I	89.4	Confident	87.5	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57	-49.9	171.6	-67.1	158.3	0	0	0	110.1	F650 V1016 R1076 A1077 K1082 Q1083 M1084	F650-I1080 HydrophobicContact CB-CG1 3.96Å; F650-I1080 HydrophobicContact CD1-CB 4.2Å; F650-I1080 HydrophobicContact CD1-CG1 3.55Å; F650-I1080 HydrophobicContact CD1-CG2 4.23Å; F650-I1080 HydrophobicContact CD2-CD1 3.99Å; F650-I1080 HydrophobicContact CD2-CG1 3.62Å; F650-I1080 HydrophobicContact CE1-CB 4.35Å; F650-I1080 HydrophobicContact CE1-CG1 3.82Å; F650-I1080 HydrophobicContact CE1-CG2 3.9Å; F650-I1080 HydrophobicContact CE2-CD1 3.99Å; F650-I1080 HydrophobicContact CE2-CG1 3.87Å; F650-I1080 HydrophobicContact CG-CD1 4.31Å; F650-I1080 HydrophobicContact CG-CG1 3.43Å; F650-I1080 VanDerWaalsContact CG-CG1 3.43Å; F650-I1080 HydrophobicContact CZ-CD1 4.32Å; F650-I1080 HydrophobicContact CZ-CG1 3.96Å; F650-I1080 HydrophobicContact CZ-CG2 4.28Å; V1016-I1080 HydrophobicContact CG2-CD1 3.32Å; R1076-I1080 HydrophobicContact CG-CD1 4.04Å; R1076-I1080 WeakPolarHBondContact O-CD1 3.37Å; R1076-I1080 WeakPolarHBondContact O-CG1 3.45Å; R1076-I1080 PolarHBondContact O-N 3.24Å; A1077-I1080 PolarHBondContact O-N 2.84Å; I1080-K1082 VanDerWaalsContact C-N 3.28Å; I1080-K1082 PolarHBondContact O-N 3.45Å; I1080-Q1083 PolarHBondContact O-N 3.43Å; I1080-Q1083 VanDerWaalsContact O-N 3.13Å; I1080-M1084 HydrophobicContact CG2-CG 4.15Å; I1080-M1084 WeakPolarHBondContact O-CG 3.16Å; I1080-M1084 PolarHBondContact O-N 3.11Å
1081	R	91.1	Very high	87.5	Confident	33 Å²	33	55 Å²	55	13%	0.125	25%	0.251	C	S	.	.	H	α-helix	trans	-57.7	-41	179.5	-165.4	-167	-176.8	-89.1	10.9	111.9	E1005 L1008 T1009 S1012 Y1051 A1077 Q1078 D1079 L1085	E1005-R1081 IonicContact OE1-CZ 3.15Å; E1005-R1081 IonicContact OE1-NH2 2.68Å; E1005-R1081 PolarHBondContact OE1-NH2 3.19Å; L1008-R1081 HydrophobicContact CD2-CG 4Å; L1008-R1081 HydrophobicContact CG-CG 3.84Å; T1009-R1081 PolarHBondContact OG1-NE 3.19Å; T1009-R1081 PolarHBondContact OG1-NH2 3.03Å; S1012-R1081 WeakPolarHBondContact OG-CA 3.29Å; S1012-R1081 WeakPolarHBondContact OG-CB 3.46Å; S1012-R1081 PolarHBondContact OG-N 3.17Å; Y1051-R1081 WeakPolarHBondContact OH-CD 3.33Å; A1077-R1081 VanDerWaalsContact O-CB 3.25Å; A1077-R1081 WeakPolarHBondContact O-CB 3.36Å; A1077-R1081 PolarHBondContact O-N 3.33Å; Q1078-R1081 PolarHBondContact O-N 3.29Å; D1079-R1081 PolarHBondContact O-N 3.21Å; R1081-L1085 WeakPolarHBondContact O-CB 3.48Å; R1081-L1085 PolarHBondContact O-N 3.17Å
1082	K	89.9	Confident	87.6	Confident	161 Å²	161	62.3 Å²	62.3	70%	0.7	28%	0.279	S	S	*	.	H	α-helix	trans	-68.2	-40.6	177	-170.6	-177.2	178.2	-170.9	0	112	Q1078 D1079 I1080 G1086	Q1078-K1082 WeakPolarHBondContact O-CB 3.38Å; Q1078-K1082 PolarHBondContact O-N 3.42Å; D1079-K1082 PolarHBondContact O-N 2.68Å; I1080-K1082 VanDerWaalsContact C-N 3.28Å; I1080-K1082 PolarHBondContact O-N 3.45Å; K1082-G1086 PolarHBondContact O-N 3.37Å; K1082-G1086 VanDerWaalsContact O-N 3.16Å
1083	Q	86.1	Confident	87.7	Confident	57 Å²	57	55.4 Å²	55.4	27%	0.266	25%	0.254	S	S	.	.	H	α-helix	trans	-68.2	-40.6	175	-167.3	179.8	37.6	0	0	111.7	F650 D1079 I1080 G1086 I1087	F650-Q1083 VanDerWaalsContact CD1-OE1 3.31Å; D1079-Q1083 PolarHBondContact O-N 2.94Å; I1080-Q1083 PolarHBondContact O-N 3.43Å; I1080-Q1083 VanDerWaalsContact O-N 3.13Å; Q1083-G1086 PolarHBondContact O-N 3.1Å; Q1083-I1087 HydrophobicContact CG-CD1 4.42Å; Q1083-I1087 WeakPolarHBondContact O-CG1 3.28Å; Q1083-I1087 PolarHBondContact O-N 2.98Å; Q1083-I1087 VanDerWaalsContact O-N 3.12Å
1084	M	88.8	Confident	87.7	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.1	-39.3	179.6	-67.3	-45	95.8	0	0	111.2	F650 F985 P986 L987 L1008 I1080 I1087 M1088	F650-M1084 HydrophobicContact CD1-CE 4.34Å; F650-M1084 HydrophobicContact CE1-CE 3.98Å; F985-M1084 HydrophobicContact CD1-SD 4.14Å; P986-M1084 HydrophobicContact CG-CE 3.66Å; P986-M1084 HydrophobicContact CG-SD 4.29Å; L987-M1084 HydrophobicContact CD1-CG 4.4Å; L987-M1084 HydrophobicContact CD1-SD 3.8Å; L987-M1084 HydrophobicContact CD2-SD 4.43Å; L987-M1084 HydrophobicContact CG-SD 4.02Å; L1008-M1084 HydrophobicContact CD1-CB 3.37Å; L1008-M1084 HydrophobicContact CD1-CG 4.47Å; I1080-M1084 HydrophobicContact CG2-CG 4.15Å; I1080-M1084 WeakPolarHBondContact O-CG 3.16Å; I1080-M1084 PolarHBondContact O-N 3.11Å; M1084-I1087 HydrophobicContact CE-CD1 3.62Å; M1084-I1087 WeakPolarHBondContact O-CB 3.39Å; M1084-I1087 PolarHBondContact O-N 3.43Å; M1084-I1087 VanDerWaalsContact O-N 3.08Å; M1084-I1087 HydrophobicContact SD-CD1 3.95Å; M1084-M1088 WeakPolarHBondContact O-CG 3.24Å; M1084-M1088 PolarHBondContact O-N 2.87Å
1085	L	90.6	Very high	87.6	Confident	51 Å²	51	63.4 Å²	63.4	27%	0.267	30%	0.298	S	S	.	.	H	α-helix	trans	-55.5	-51.1	170.6	-177	60.5	0	0	0	111.4	L1008 R1081 I1087 M1088 D1089 V1095	L1008-L1085 HydrophobicContact CD2-CB 4.16Å; L1008-L1085 HydrophobicContact CD2-CD1 4.28Å; R1081-L1085 WeakPolarHBondContact O-CB 3.48Å; R1081-L1085 PolarHBondContact O-N 3.17Å; L1085-I1087 PolarHBondContact O-N 3.38Å; L1085-I1087 VanDerWaalsContact O-N 3.1Å; L1085-M1088 WeakPolarHBondContact O-CA 3.43Å; L1085-M1088 WeakPolarHBondContact O-CB 3.24Å; L1085-M1088 PolarHBondContact O-N 3.33Å; L1085-D1089 VanDerWaalsContact O-CG 3.28Å; L1085-D1089 PolarHBondContact O-N 3.12Å; L1085-V1095 HydrophobicContact CD1-CG2 3.76Å
1086	G	87.9	Confident	87.6	Confident	30 Å²	30	61.4 Å²	61.4	31%	0.309	30%	0.298	S	S	.	.	H	α-helix	trans	-65.4	-11.7	176.6	0	0	0	0	0	115.2	K1082 Q1083 R1090	K1082-G1086 PolarHBondContact O-N 3.37Å; K1082-G1086 VanDerWaalsContact O-N 3.16Å; Q1083-G1086 PolarHBondContact O-N 3.1Å; G1086-R1090 VanDerWaalsContact O-CG 3.3Å; G1086-R1090 WeakPolarHBondContact O-CG 3.35Å; G1086-R1090 PolarHBondContact O-NE 2.85Å; G1086-R1090 VanDerWaalsContact O-NE 3.12Å
1087	I	86.8	Confident	87.6	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-85.9	-46.8	167.2	-63.5	160.6	0	0	0	109.5	R670 F985 P986 Q1083 M1084 L1085 D1089 R1090 H1091	R670-I1087 VanDerWaalsContact NH2-CD1 3.27Å; F985-I1087 HydrophobicContact CD1-CB 4.23Å; F985-I1087 HydrophobicContact CD1-CD1 4.35Å; F985-I1087 HydrophobicContact CD1-CG2 3.67Å; F985-I1087 HydrophobicContact CE1-CB 3.91Å; F985-I1087 HydrophobicContact CE1-CG2 3.42Å; F985-I1087 VanDerWaalsContact CE1-CG2 3.42Å; F985-I1087 HydrophobicContact CE2-CG2 4.46Å; F985-I1087 HydrophobicContact CG-CG2 4.29Å; F985-I1087 HydrophobicContact CZ-CG2 3.85Å; P986-I1087 HydrophobicContact CG-CD1 4.37Å; Q1083-I1087 HydrophobicContact CG-CD1 4.42Å; Q1083-I1087 WeakPolarHBondContact O-CG1 3.28Å; Q1083-I1087 PolarHBondContact O-N 2.98Å; Q1083-I1087 VanDerWaalsContact O-N 3.12Å; M1084-I1087 HydrophobicContact CE-CD1 3.62Å; M1084-I1087 WeakPolarHBondContact O-CB 3.39Å; M1084-I1087 PolarHBondContact O-N 3.43Å; M1084-I1087 VanDerWaalsContact O-N 3.08Å; M1084-I1087 HydrophobicContact SD-CD1 3.95Å; L1085-I1087 PolarHBondContact O-N 3.38Å; L1085-I1087 VanDerWaalsContact O-N 3.1Å; I1087-D1089 PolarHBondContact O-N 3.47Å; I1087-R1090 PolarHBondContact O-N 3.11Å; I1087-H1091 PolarHBondContact O-CD2 2.97Å; I1087-H1091 PolarHBondContact O-N 3.24Å; I1087-H1091 VanDerWaalsContact O-N 3.16Å
1088	M	88.3	Confident	87	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-57.2	-44.4	176.7	-69.4	-177.2	70.1	0	0	112.8	F985 L995 V999 L1008 M1084 L1085 R1090 H1091 K1092 L1093 V1095	F985-M1088 HydrophobicContact CE1-CG 4.02Å; F985-M1088 HydrophobicContact CZ-CG 4.07Å; L995-M1088 HydrophobicContact CD1-SD 4.03Å; L995-M1088 HydrophobicContact CD2-SD 4.26Å; L995-M1088 HydrophobicContact CG-SD 4.24Å; V999-M1088 HydrophobicContact CG2-CE 3.67Å; L1008-M1088 HydrophobicContact CD1-SD 3.91Å; M1084-M1088 WeakPolarHBondContact O-CG 3.24Å; M1084-M1088 PolarHBondContact O-N 2.87Å; L1085-M1088 WeakPolarHBondContact O-CA 3.43Å; L1085-M1088 WeakPolarHBondContact O-CB 3.24Å; L1085-M1088 PolarHBondContact O-N 3.33Å; M1088-R1090 PolarHBondContact O-N 2.78Å; M1088-H1091 CarbonylContact O-C 3.57Å; M1088-H1091 PolarHBondContact O-N 2.95Å; M1088-H1091 VanDerWaalsContact O-N 3.12Å; M1088-K1092 PolarHBondContact O-N 3.21Å; M1088-L1093 HydrophobicContact CB-CB 4.07Å; M1088-L1093 HydrophobicContact CB-CD1 4.5Å; M1088-L1093 HydrophobicContact CE-CB 3.96Å; M1088-L1093 HydrophobicContact CG-CB 4.43Å; M1088-L1093 HydrophobicContact CG-CD1 4.2Å; M1088-L1093 PolarHBondContact O-N 3.47Å; M1088-V1095 HydrophobicContact CE-CG2 3.99Å; M1088-V1095 HydrophobicContact SD-CG2 4.5Å
1089	D	88.3	Confident	86.4	Confident	95 Å²	95	61.7 Å²	61.7	51%	0.508	33%	0.325	S	S	.	.	H	α-helix	trans	-58.5	-44.9	177	-65.9	-27.8	0	0	0	111.6	L1085 I1087 H1091 K1092	L1085-D1089 VanDerWaalsContact O-CG 3.28Å; L1085-D1089 PolarHBondContact O-N 3.12Å; I1087-D1089 PolarHBondContact O-N 3.47Å; D1089-H1091 VanDerWaalsContact C-N 3.28Å; D1089-H1091 PolarHBondContact O-N 3.19Å; D1089-K1092 PolarHBondContact O-N 2.89Å; D1089-K1092 VanDerWaalsContact O-N 3.11Å
1090	R	86.7	Confident	85.8	Confident	153 Å²	153	67.5 Å²	67.5	58%	0.577	35%	0.346	S	S	*	.	H	α-helix	trans	-64.4	-31.5	177.7	-69.5	-177.1	-51.9	142.3	22.6	112.5	G1086 I1087 M1088	G1086-R1090 VanDerWaalsContact O-CG 3.3Å; G1086-R1090 WeakPolarHBondContact O-CG 3.35Å; G1086-R1090 PolarHBondContact O-NE 2.85Å; G1086-R1090 VanDerWaalsContact O-NE 3.12Å; I1087-R1090 PolarHBondContact O-N 3.11Å; M1088-R1090 PolarHBondContact O-N 2.78Å
1091	H	83.4	Confident	85.5	Confident	38 Å²	38	69 Å²	69	18%	0.176	36%	0.359	C	S	.	.	H	α-helix	trans	-87.5	-1.3	175.5	-65	-55	0	0	0	114.6	E984 I1087 M1088 D1089 L1093	E984-H1091 IonicContact OE1-CE1 2.81Å; E984-H1091 PolarHBondContact OE1-CE1 3.39Å; E984-H1091 IonicContact OE1-ND1 2.77Å; E984-H1091 IonicContact OE1-NE2 2.64Å; E984-H1091 IonicContact OE2-CE1 2.77Å; E984-H1091 PolarHBondContact OE2-CE1 3.21Å; E984-H1091 IonicContact OE2-NE2 3.74Å; I1087-H1091 PolarHBondContact O-CD2 2.97Å; I1087-H1091 PolarHBondContact O-N 3.24Å; I1087-H1091 VanDerWaalsContact O-N 3.16Å; M1088-H1091 CarbonylContact O-C 3.57Å; M1088-H1091 PolarHBondContact O-N 2.95Å; M1088-H1091 VanDerWaalsContact O-N 3.12Å; D1089-H1091 VanDerWaalsContact C-N 3.28Å; D1089-H1091 PolarHBondContact O-N 3.19Å; H1091-L1093 HydrophobicContact CB-CD1 4.25Å; H1091-L1093 HydrophobicContact CB-CG 4.04Å
1092	K	85.5	Confident	85.1	Confident	178 Å²	178	69.2 Å²	69.2	77%	0.774	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	51.7	-174.4	-52.2	178.6	-176	179.3	0	111.5	M1088 D1089	M1088-K1092 PolarHBondContact O-N 3.21Å; D1089-K1092 PolarHBondContact O-N 2.89Å; D1089-K1092 VanDerWaalsContact O-N 3.11Å
1093	L	85.2	Confident	85.1	Confident	12 Å²	12	64.9 Å²	64.9	6%	0.063	35%	0.35	C	S	.	.			trans	-97.9	107	171.1	-64.5	178	0	0	0	108.3	F985 V999 M1088 H1091 V1095	F985-L1093 HydrophobicContact CZ-CD1 4.08Å; V999-L1093 HydrophobicContact CG1-CB 4.42Å; V999-L1093 HydrophobicContact CG1-CD2 4.4Å; V999-L1093 HydrophobicContact CG2-CB 4.08Å; V999-L1093 HydrophobicContact CG2-CD2 4.47Å; M1088-L1093 HydrophobicContact CB-CB 4.07Å; M1088-L1093 HydrophobicContact CB-CD1 4.5Å; M1088-L1093 HydrophobicContact CE-CB 3.96Å; M1088-L1093 HydrophobicContact CG-CB 4.43Å; M1088-L1093 HydrophobicContact CG-CD1 4.2Å; M1088-L1093 PolarHBondContact O-N 3.47Å; H1091-L1093 HydrophobicContact CB-CD1 4.25Å; H1091-L1093 HydrophobicContact CB-CG 4.04Å; L1093-V1095 PolarHBondContact O-N 3.08Å
1094	D	85.1	Confident	85.3	Confident	123 Å²	123	68.2 Å²	68.2	66%	0.658	36%	0.361	S	S	*	.			trans	-62.9	126.9	-175.4	-61.5	-49.7	0	0	0	111.5	V1096	D1094-V1096 PolarHBondContact O-N 3.49Å
1095	V	86.1	Confident	85.4	Confident	56 Å²	56	68.3 Å²	68.3	34%	0.339	36%	0.361	S	S	.	.			trans	-93.5	103.3	179.8	-178.2	0	0	0	0	110.2	S1004 E1005 L1085 M1088 L1093	S1004-V1095 WeakPolarHBondContact OG-CA 3.36Å; E1005-V1095 HydrophobicContact CB-CG1 4.12Å; L1085-V1095 HydrophobicContact CD1-CG2 3.76Å; M1088-V1095 HydrophobicContact CE-CG2 3.99Å; M1088-V1095 HydrophobicContact SD-CG2 4.5Å; L1093-V1095 PolarHBondContact O-N 3.08Å
1096	V	87.9	Confident	85.4	Confident	76 Å²	76	66.4 Å²	66.4	46%	0.461	35%	0.351	S	S	.	.			trans	-114	140.3	177.3	-175.6	0	0	0	0	110.3	S1004 E1005 D1094	S1004-V1096 PolarHBondContact N-O 2.84Å; S1004-V1096 PolarHBondContact OG-N 3Å; S1004-V1096 PolarHBondContact OG-O 3.17Å; E1005-V1096 PolarHBondContact N-O 3.07Å; E1005-V1096 VanDerWaalsContact N-O 3.11Å; D1094-V1096 PolarHBondContact O-N 3.49Å
1097	T	84.9	Confident	85.5	Confident	77 Å²	77	67.1 Å²	67.1	47%	0.472	35%	0.345	S	S	.	.			trans	-91.7	131.4	174.8	-36.8	0	0	0	0	109.5	E1005 E1006	E1005-T1097 HydrophobicContact CB-CG2 4.35Å; E1005-T1097 PolarHBondContact OE2-OG1 3.49Å; E1006-T1097 WeakPolarHBondContact OE1-CG2 3.32Å; E1006-T1097 WeakPolarHBondContact OE2-CA 3.43Å
1098	C	77.4	Confident	85.8	Confident	16 Å²	16	66.9 Å²	66.9	11%	0.108	34%	0.344	C	S	.	.			trans	-87.7	-12	175.6	73.7	0	0	0	0	114.5	G1002 C1003 E1006 K1100 A1101	G1002-C1098 WeakPolarHBondContact O-CB 3.27Å; C1003-C1098 HydrophobicContact CB-CB 3.7Å; E1006-C1098 VanDerWaalsContact CD-N 3.31Å; E1006-C1098 WeakPolarHBondContact OE1-CA 3.48Å; E1006-C1098 PolarHBondContact OE1-N 3.45Å; E1006-C1098 PolarHBondContact OE1-SG 3Å; E1006-C1098 PolarHBondContact OE2-N 3.37Å; E1006-C1098 VanDerWaalsContact OE2-N 3.11Å; C1098-K1100 PolarHBondContact O-N 2.87Å; C1098-A1101 HydrophobicContact CB-CB 4.32Å; C1098-A1101 WeakPolarHBondContact O-CB 3.45Å; C1098-A1101 PolarHBondContact O-N 3.22Å
1099	G	78.4	Confident	85.9	Confident	54 Å²	54	66.9 Å²	66.9	56%	0.557	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	-117.3	175.3	0	0	0	0	0	111.9	E1006	E1006-G1099 PolarHBondContact OE1-N 3.29Å
1100	K	74.6	Confident	86.1	Confident	204 Å²	204	62.4 Å²	62.4	89%	0.887	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	0.3	179.3	-65.9	-175.1	-179.2	177.6	0	114.2	C1098 T1102	C1098-K1100 PolarHBondContact O-N 2.87Å; K1100-T1102 PolarHBondContact O-N 3.44Å
1101	A	82.1	Confident	86.2	Confident	32 Å²	32	55.1 Å²	55.1	26%	0.264	29%	0.293	S	S	.	.			trans	-81.8	58.2	-174.7	0	0	0	0	0	113.1	C1098 V1103 R1104	C1098-A1101 HydrophobicContact CB-CB 4.32Å; C1098-A1101 WeakPolarHBondContact O-CB 3.45Å; C1098-A1101 PolarHBondContact O-N 3.22Å; A1101-V1103 PolarHBondContact O-N 3.28Å; A1101-V1103 VanDerWaalsContact O-N 3.13Å; A1101-R1104 HydrophobicContact CB-CG 4.16Å; A1101-R1104 WeakPolarHBondContact O-CB 3.29Å; A1101-R1104 PolarHBondContact O-N 2.96Å
1102	T	83.9	Confident	86.4	Confident	36 Å²	36	53.3 Å²	53.3	22%	0.221	28%	0.284	C	S	.	.	H	α-helix	trans	-51.2	-35.9	-175.1	51.9	0	0	0	0	114.2	E1041 K1100 R1104 V1105 Q1106	E1041-T1102 WeakPolarHBondContact OE1-CB 3.46Å; E1041-T1102 PolarHBondContact OE1-OG1 2.89Å; E1041-T1102 WeakPolarHBondContact OE2-CG2 3.43Å; K1100-T1102 PolarHBondContact O-N 3.44Å; T1102-R1104 PolarHBondContact O-N 2.87Å; T1102-V1105 WeakPolarHBondContact O-CA 3.42Å; T1102-V1105 VanDerWaalsContact O-CB 3.3Å; T1102-V1105 WeakPolarHBondContact O-CB 3.38Å; T1102-V1105 PolarHBondContact O-N 2.88Å; T1102-Q1106 PolarHBondContact O-N 2.86Å
1103	V	88.8	Confident	86.6	Confident	71 Å²	71	44.8 Å²	44.8	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-53.2	-35.3	174.1	179.4	0	0	0	0	112.6	A1101 V1105 Q1106 K1107 W1174	A1101-V1103 PolarHBondContact O-N 3.28Å; A1101-V1103 VanDerWaalsContact O-N 3.13Å; V1103-V1105 VanDerWaalsContact C-N 3.31Å; V1103-V1105 PolarHBondContact O-N 3.31Å; V1103-Q1106 PolarHBondContact O-N 3.4Å; V1103-K1107 WeakPolarHBondContact O-CB 3.43Å; V1103-K1107 PolarHBondContact O-N 2.86Å; V1103-W1174 HydrophobicContact CG1-CH2 3.99Å; V1103-W1174 HydrophobicContact CG1-CZ2 3.74Å
1104	R	90	Very high	86.7	Confident	127 Å²	127	44.3 Å²	44.3	48%	0.479	25%	0.245	S	C	.	.	H	α-helix	trans	-68.3	-31.3	176.5	-59.3	-174.6	-172	174.5	3.9	112.4	C1003 A1101 T1102 A1108	C1003-R1104 HydrophobicContact CB-CB 4.09Å; C1003-R1104 PolarHBondContact SG-O 3.26Å; C1003-R1104 VanDerWaalsContact SG-O 3.35Å; A1101-R1104 HydrophobicContact CB-CG 4.16Å; A1101-R1104 WeakPolarHBondContact O-CB 3.29Å; A1101-R1104 PolarHBondContact O-N 2.96Å; T1102-R1104 PolarHBondContact O-N 2.87Å; R1104-A1108 WeakPolarHBondContact O-CB 3.07Å; R1104-A1108 PolarHBondContact O-N 2.87Å; R1104-A1108 VanDerWaalsContact O-N 3.12Å
1105	V	90.7	Very high	86.7	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-72.6	-43.2	174.3	-172.1	0	0	0	0	109.8	C1003 E1006 M1007 I1010 L1045 T1102 V1103 A1108 I1109	C1003-V1105 HydrophobicContact CB-CG2 4.14Å; E1006-V1105 HydrophobicContact CB-CG2 4.13Å; M1007-V1105 HydrophobicContact CE-CG1 3.69Å; I1010-V1105 HydrophobicContact CD1-CG1 3.44Å; I1010-V1105 VanDerWaalsContact CD1-CG1 3.44Å; L1045-V1105 HydrophobicContact CD2-CB 4.24Å; L1045-V1105 HydrophobicContact CD2-CG1 4.01Å; T1102-V1105 WeakPolarHBondContact O-CA 3.42Å; T1102-V1105 VanDerWaalsContact O-CB 3.3Å; T1102-V1105 WeakPolarHBondContact O-CB 3.38Å; T1102-V1105 PolarHBondContact O-N 2.88Å; V1103-V1105 VanDerWaalsContact C-N 3.31Å; V1103-V1105 PolarHBondContact O-N 3.31Å; V1105-A1108 PolarHBondContact O-N 3.38Å; V1105-I1109 HydrophobicContact CG1-CD1 4.23Å; V1105-I1109 WeakPolarHBondContact O-CG1 3.28Å; V1105-I1109 PolarHBondContact O-N 2.95Å
1106	Q	91	Very high	86.9	Confident	10 Å²	10	39.4 Å²	39.4	5%	0.047	21%	0.213	C	C	.	.	H	α-helix	trans	-62.8	-44.2	175.8	-62.5	174.6	-54.1	0	0	112.2	E1041 L1045 T1102 V1103 A1108 I1109 C1110 T1168 T1169 W1174	E1041-Q1106 PolarHBondContact O-NE2 3.19Å; L1045-Q1106 HydrophobicContact CD1-CG 4.26Å; T1102-Q1106 PolarHBondContact O-N 2.86Å; V1103-Q1106 PolarHBondContact O-N 3.4Å; Q1106-A1108 VanDerWaalsContact C-N 3.34Å; Q1106-A1108 PolarHBondContact O-N 3Å; Q1106-I1109 PolarHBondContact O-N 2.59Å; Q1106-C1110 WeakPolarHBondContact O-CB 3.18Å; Q1106-C1110 PolarHBondContact O-N 3.45Å; Q1106-T1168 HydrophobicContact CB-CG2 4.47Å; Q1106-T1168 HydrophobicContact CG-CG2 4.06Å; Q1106-T1169 PolarHBondContact NE2-O 3.13Å; Q1106-T1169 PolarHBondContact NE2-OG1 3.36Å; Q1106-W1174 HydrophobicContact CB-CH2 4.13Å; Q1106-W1174 HydrophobicContact CB-CZ3 3.64Å
1107	K	90.9	Very high	86.9	Confident	45 Å²	45	35.9 Å²	35.9	20%	0.196	19%	0.191	C	C	.	.	H	α-helix	trans	-57.5	-43.7	171.5	-80.4	-155.4	179.3	-149.3	0	112.3	L1001 V1103 C1110 S1111 W1174 E1177 F1178	L1001-K1107 HydrophobicContact CD1-CB 4.13Å; V1103-K1107 WeakPolarHBondContact O-CB 3.43Å; V1103-K1107 PolarHBondContact O-N 2.86Å; K1107-C1110 WeakPolarHBondContact O-CB 3.28Å; K1107-C1110 PolarHBondContact O-N 3.41Å; K1107-S1111 PolarHBondContact O-N 3.12Å; K1107-W1174 HydrophobicContact CD-CD2 4.5Å; K1107-W1174 HydrophobicContact CD-CG 4.43Å; K1107-W1174 VanDerWaalsContact CE-CD1 3.49Å; K1107-W1174 HydrophobicContact CG-CD2 3.71Å; K1107-W1174 HydrophobicContact CG-CE3 4.01Å; K1107-W1174 HydrophobicContact CG-CG 4.02Å; K1107-W1174 HydrophobicContact CG-CZ2 4.47Å; K1107-E1177 IonicContact NZ-OE1 3.11Å; K1107-E1177 PolarHBondContact NZ-OE1 2.85Å; K1107-E1177 IonicContact NZ-OE2 2.68Å; K1107-E1177 PolarHBondContact NZ-OE2 3.07Å; K1107-F1178 HydrophobicContact CB-CE2 3.66Å; K1107-F1178 HydrophobicContact CB-CZ 3.83Å; K1107-F1178 HydrophobicContact CD-CE2 3.92Å; K1107-F1178 HydrophobicContact CD-CZ 3.95Å; K1107-F1178 HydrophobicContact CG-CE2 3.91Å; K1107-F1178 HydrophobicContact CG-CZ 4.27Å; K1107-F1178 WeakPolarHBondContact O-CE2 3.44Å
1108	A	91.7	Very high	87.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.6	-42.2	175.9	0	0	0	0	0	112.4	L1001 M1007 R1104 V1105 Q1106 S1111 G1112	L1001-A1108 HydrophobicContact CD1-CB 3.88Å; M1007-A1108 HydrophobicContact CE-CB 3.54Å; R1104-A1108 WeakPolarHBondContact O-CB 3.07Å; R1104-A1108 PolarHBondContact O-N 2.87Å; R1104-A1108 VanDerWaalsContact O-N 3.12Å; V1105-A1108 PolarHBondContact O-N 3.38Å; Q1106-A1108 VanDerWaalsContact C-N 3.34Å; Q1106-A1108 PolarHBondContact O-N 3Å; A1108-S1111 PolarHBondContact O-N 2.82Å; A1108-S1111 PolarHBondContact O-OG 3.45Å; A1108-G1112 PolarHBondContact O-N 3.06Å
1109	I	91.9	Very high	87.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60	-50.4	174.2	-65.8	160.5	0	0	0	110.6	M994 M1007 H1044 V1105 Q1106 S1111 G1112 F1113 V1152 T1168	M994-I1109 HydrophobicContact SD-CB 4.15Å; M994-I1109 HydrophobicContact SD-CG1 3.77Å; M994-I1109 HydrophobicContact SD-CG2 4.44Å; M1007-I1109 HydrophobicContact CE-CD1 4.47Å; M1007-I1109 HydrophobicContact CE-CG1 3.72Å; H1044-I1109 HydrophobicContact CB-CD1 3.64Å; V1105-I1109 HydrophobicContact CG1-CD1 4.23Å; V1105-I1109 WeakPolarHBondContact O-CG1 3.28Å; V1105-I1109 PolarHBondContact O-N 2.95Å; Q1106-I1109 PolarHBondContact O-N 2.59Å; I1109-S1111 VanDerWaalsContact C-N 3.28Å; I1109-S1111 PolarHBondContact O-N 3.15Å; I1109-G1112 PolarHBondContact O-N 2.81Å; I1109-G1112 VanDerWaalsContact O-N 3.09Å; I1109-F1113 HydrophobicContact CG2-CD2 4.36Å; I1109-F1113 PolarHBondContact O-N 3.47Å; I1109-V1152 HydrophobicContact CG2-CG1 4.11Å; I1109-T1168 HydrophobicContact CD1-CG2 4.32Å
1110	C	90.9	Very high	88.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-53.6	-44.7	176.9	-175.1	0	0	0	0	111.5	Q1106 K1107 G1112 F1113 F1114 I1170	Q1106-C1110 WeakPolarHBondContact O-CB 3.18Å; Q1106-C1110 PolarHBondContact O-N 3.45Å; K1107-C1110 WeakPolarHBondContact O-CB 3.28Å; K1107-C1110 PolarHBondContact O-N 3.41Å; C1110-G1112 PolarHBondContact O-N 2.63Å; C1110-G1112 VanDerWaalsContact O-N 3.17Å; C1110-F1113 PolarHBondContact O-N 3.15Å; C1110-F1114 WeakPolarHBondContact O-CA 3.5Å; C1110-F1114 WeakPolarHBondContact O-CB 3.46Å; C1110-F1114 PolarHBondContact O-N 2.61Å; C1110-I1170 HydrophobicContact CB-CG2 4.28Å
1111	S	89.3	Confident	88.7	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-28.1	179.8	81.2	0	0	0	0	115	K993 M997 K1107 A1108 I1109	K993-S1111 WeakPolarHBondContact CD-O 3.38Å; K993-S1111 WeakPolarHBondContact CE-O 3.39Å; K993-S1111 PolarHBondContact NZ-O 3.18Å; M997-S1111 WeakPolarHBondContact CB-OG 3.41Å; M997-S1111 WeakPolarHBondContact CG-OG 3.35Å; K1107-S1111 PolarHBondContact O-N 3.12Å; A1108-S1111 PolarHBondContact O-N 2.82Å; A1108-S1111 PolarHBondContact O-OG 3.45Å; I1109-S1111 VanDerWaalsContact C-N 3.28Å; I1109-S1111 PolarHBondContact O-N 3.15Å
1112	G	88	Confident	88.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-91.8	-38.2	178.2	0	0	0	0	0	113.9	A1108 I1109 C1110	A1108-G1112 PolarHBondContact O-N 3.06Å; I1109-G1112 PolarHBondContact O-N 2.81Å; I1109-G1112 VanDerWaalsContact O-N 3.09Å; C1110-G1112 PolarHBondContact O-N 2.63Å; C1110-G1112 VanDerWaalsContact O-N 3.17Å
1113	F	90	Very high	88.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-111.1	21.9	-172.3	-71.3	-79.4	0	0	0	114.1	M990 L991 M994 I1109 C1110 R1115 N1116 V1152 H1154	M990-F1113 HydrophobicContact CB-CD1 4.03Å; M990-F1113 HydrophobicContact CB-CE1 3.71Å; M990-F1113 HydrophobicContact CB-CZ 3.97Å; M990-F1113 HydrophobicContact CE-CD1 4.36Å; M990-F1113 HydrophobicContact CE-CE1 4.02Å; M990-F1113 HydrophobicContact CG-CE1 4.49Å; M990-F1113 HydrophobicContact SD-CD1 3.94Å; M990-F1113 HydrophobicContact SD-CE1 4.11Å; L991-F1113 HydrophobicContact CD2-CE2 3.86Å; L991-F1113 HydrophobicContact CD2-CZ 3.67Å; L991-F1113 HydrophobicContact CG-CZ 4.13Å; M994-F1113 HydrophobicContact CE-CE2 4.01Å; M994-F1113 HydrophobicContact SD-CD2 4.03Å; M994-F1113 HydrophobicContact SD-CE2 3.84Å; I1109-F1113 HydrophobicContact CG2-CD2 4.36Å; I1109-F1113 PolarHBondContact O-N 3.47Å; C1110-F1113 PolarHBondContact O-N 3.15Å; F1113-R1115 PolarHBondContact O-N 2.85Å; F1113-R1115 VanDerWaalsContact O-N 3.11Å; F1113-N1116 HydrophobicContact CB-CB 4.43Å; F1113-N1116 HydrophobicContact CD1-CB 4.46Å; F1113-N1116 CarbonylContact O-C 3.5Å; F1113-N1116 WeakPolarHBondContact O-CA 3.49Å; F1113-N1116 PolarHBondContact O-N 3.24Å; F1113-V1152 HydrophobicContact CB-CG1 3.44Å; F1113-V1152 VanDerWaalsContact CB-CG1 3.44Å; F1113-V1152 HydrophobicContact CG-CG1 4.49Å; F1113-H1154 AromaticContact CE1-ND1 3.38Å; F1113-H1154 WeakPolarHBondContact CE1-ND1 3.35Å; F1113-H1154 AromaticContact CZ-CE1 3.76Å; F1113-H1154 AromaticContact CZ-ND1 3.26Å; F1113-H1154 VanDerWaalsContact CZ-ND1 3.26Å; F1113-H1154 WeakPolarHBondContact CZ-ND1 3.5Å
1114	F	87.6	Confident	87.5	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.009	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-29.3	177.2	69.4	-84.8	0	0	0	114	T965 L966 C1110 N1116 L1175 S1179 F1182 F1183	T965-F1114 VanDerWaalsContact O-CZ 3.27Å; T965-F1114 WeakPolarHBondContact O-CZ 3.4Å; L966-F1114 HydrophobicContact CD2-CE1 4.02Å; C1110-F1114 WeakPolarHBondContact O-CA 3.5Å; C1110-F1114 WeakPolarHBondContact O-CB 3.46Å; C1110-F1114 PolarHBondContact O-N 2.61Å; F1114-N1116 VanDerWaalsContact C-N 3.31Å; F1114-L1175 HydrophobicContact CB-CD2 3.95Å; F1114-S1179 WeakPolarHBondContact CD2-OG 3.48Å; F1114-S1179 VanDerWaalsContact CE2-OG 3.22Å; F1114-S1179 WeakPolarHBondContact CE2-OG 3.44Å; F1114-F1182 HydrophobicContact CD2-CD1 4.03Å; F1114-F1182 HydrophobicContact CD2-CG 4.46Å; F1114-F1182 HydrophobicContact CE2-CB 4.22Å; F1114-F1182 HydrophobicContact CE2-CD1 4.04Å; F1114-F1182 HydrophobicContact CE2-CG 4.08Å; F1114-F1183 HydrophobicContact CB-CE2 4.07Å; F1114-F1183 HydrophobicContact CD2-CD2 4.44Å; F1114-F1183 AromaticContact CD2-CE2 3.96Å; F1114-F1183 HydrophobicContact CD2-CE2 3.96Å; F1114-F1183 WeakPolarHBondContact O-CE2 3.36Å; F1114-F1183 WeakPolarHBondContact O-CZ 3.4Å
1115	R	85.3	Confident	87.2	Confident	49 Å²	49	34.3 Å²	34.3	19%	0.185	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-29.2	173.3	-162.9	179.1	178.4	139.5	3.3	112	E961 F1113 A1117 I1130	E961-R1115 IonicContact OE2-CZ 3.26Å; E961-R1115 IonicContact OE2-NH1 2.63Å; E961-R1115 PolarHBondContact OE2-NH1 3.41Å; E961-R1115 IonicContact OE2-NH2 3.75Å; E961-R1115 PolarHBondContact OE2-NH2 2.74Å; E961-R1115 VanDerWaalsContact OE2-NH2 3.15Å; F1113-R1115 PolarHBondContact O-N 2.85Å; F1113-R1115 VanDerWaalsContact O-N 3.11Å; R1115-A1117 PolarHBondContact O-N 3.35Å; R1115-I1130 HydrophobicContact CB-CD1 4.4Å; R1115-I1130 HydrophobicContact CG-CD1 3.32Å; R1115-I1130 WeakPolarHBondContact O-CD1 3.33Å
1116	N	88.9	Confident	87.1	Confident	27 Å²	27	34.7 Å²	34.7	14%	0.144	18%	0.176	C	C	.	.	S	Bend	trans	-98.2	53.8	-177.9	-65	16.2	0	0	0	110.7	F1113 F1114 V1152 Y1153 H1154	F1113-N1116 HydrophobicContact CB-CB 4.43Å; F1113-N1116 HydrophobicContact CD1-CB 4.46Å; F1113-N1116 CarbonylContact O-C 3.5Å; F1113-N1116 WeakPolarHBondContact O-CA 3.49Å; F1113-N1116 PolarHBondContact O-N 3.24Å; F1114-N1116 VanDerWaalsContact C-N 3.31Å; N1116-V1152 WeakPolarHBondContact O-CA 3.23Å; N1116-Y1153 VanDerWaalsContact C-CE1 3.4Å; N1116-Y1153 HydrophobicContact CB-CD1 4.46Å; N1116-Y1153 HydrophobicContact CB-CD2 3.92Å; N1116-Y1153 HydrophobicContact CB-CE1 4.24Å; N1116-Y1153 HydrophobicContact CB-CE2 3.66Å; N1116-Y1153 HydrophobicContact CB-CG 4.31Å; N1116-Y1153 VanDerWaalsContact CB-O 3.23Å; N1116-Y1153 WeakPolarHBondContact CB-O 3.33Å; N1116-Y1153 WeakPolarHBondContact O-CD1 3.32Å; N1116-Y1153 WeakPolarHBondContact O-CE1 3.28Å; N1116-Y1153 PolarHBondContact O-N 3.24Å; N1116-H1154 PolarHBondContact ND2-O 3.33Å
1117	A	89.6	Confident	87	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	145.2	178.7	0	0	0	0	0	111.3	R1115 L1129 V1151 V1152 L1175	R1115-A1117 PolarHBondContact O-N 3.35Å; A1117-L1129 HydrophobicContact CB-CD1 3.66Å; A1117-L1129 HydrophobicContact CB-CG 4.18Å; A1117-L1129 PolarHBondContact O-N 3.04Å; A1117-L1129 VanDerWaalsContact O-N 3.09Å; A1117-V1151 WeakPolarHBondContact CA-O 3.45Å; A1117-V1152 HydrophobicContact CB-CG2 4.16Å; A1117-L1175 HydrophobicContact CB-CD1 4.29Å; A1117-L1175 HydrophobicContact CB-CD2 4.15Å
1118	A	90.6	Very high	86.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.4	177	0	0	0	0	0	111.5	R1127 V1135 V1151 Y1153 M1164	A1118-R1127 CarbonylContact C-O 3.57Å; A1118-R1127 WeakPolarHBondContact CA-O 3.4Å; A1118-R1127 VanDerWaalsContact CB-O 3.3Å; A1118-R1127 WeakPolarHBondContact CB-O 3.15Å; A1118-V1135 HydrophobicContact CB-CG2 4.27Å; A1118-V1151 HydrophobicContact CB-CG2 3.96Å; A1118-V1151 PolarHBondContact N-O 3.46Å; A1118-V1151 PolarHBondContact O-N 3.44Å; A1118-Y1153 HydrophobicContact CB-CD1 4.44Å; A1118-Y1153 HydrophobicContact CB-CE1 4.22Å; A1118-M1164 HydrophobicContact CB-SD 3.78Å
1119	K	89.8	Confident	86.4	Confident	68 Å²	68	37.1 Å²	37.1	30%	0.296	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	141.1	173.1	175.8	168.7	174.3	133.1	0	109.6	Y1126 R1127 L1129 E1149 W1150	K1119-Y1126 CarbonylContact O-C 3.6Å; K1119-Y1126 WeakPolarHBondContact O-CA 3.43Å; K1119-R1127 PolarHBondContact N-O 2.99Å; K1119-R1127 PolarHBondContact O-N 3.38Å; K1119-L1129 HydrophobicContact CB-CD2 4.04Å; K1119-E1149 CarbonylContact C-O 3.59Å; K1119-E1149 WeakPolarHBondContact CA-O 3.44Å; K1119-E1149 WeakPolarHBondContact CE-OE1 3.25Å; K1119-E1149 HydrophobicContact CG-CG 4.44Å; K1119-E1149 IonicContact NZ-OE1 2.97Å; K1119-E1149 PolarHBondContact NZ-OE1 2.92Å; K1119-W1150 HydrophobicContact CB-CD2 4.43Å; K1119-W1150 HydrophobicContact CB-CE3 4.29Å; K1119-W1150 HydrophobicContact CB-CZ3 4.38Å; K1119-W1150 HydrophobicContact CD-CH2 4.07Å; K1119-W1150 HydrophobicContact CD-CZ2 3.67Å; K1119-W1150 HydrophobicContact CG-CZ2 4.45Å
1120	K	88.6	Confident	85.7	Confident	65 Å²	65	39.7 Å²	39.7	28%	0.283	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	131.8	176.2	-169.7	179.6	-174.9	177.9	0	110.8	G1125 Y1126 Q1147 E1149	K1120-G1125 WeakPolarHBondContact CG-O 3.47Å; K1120-Y1126 HydrophobicContact CB-CD1 3.86Å; K1120-Y1126 HydrophobicContact CB-CE1 3.77Å; K1120-Y1126 HydrophobicContact CG-CD1 4.38Å; K1120-Y1126 HydrophobicContact CG-CE1 4.15Å; K1120-Q1147 HydrophobicContact CD-CB 4.43Å; K1120-Q1147 VanDerWaalsContact CE-OE1 3.24Å; K1120-Q1147 VanDerWaalsContact NZ-CB 3.28Å; K1120-Q1147 PolarHBondContact NZ-O 3.47Å; K1120-E1149 HydrophobicContact CB-CG 4.31Å; K1120-E1149 WeakPolarHBondContact CB-O 3.46Å; K1120-E1149 PolarHBondContact N-O 2.92Å
1121	D	83.6	Confident	84.9	Confident	30 Å²	30	42.4 Å²	42.4	16%	0.16	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.5	171.2	-174.1	-52.5	0	0	0	108.4	Q1123 E1124 G1125 R1127	D1121-Q1123 PolarHBondContact O-N 2.79Å; D1121-Q1123 VanDerWaalsContact O-N 3.11Å; D1121-Q1123 WeakPolarHBondContact OD1-CA 3.19Å; D1121-Q1123 PolarHBondContact OD1-N 3.3Å; D1121-E1124 PolarHBondContact OD1-N 3.44Å; D1121-E1124 VanDerWaalsContact OD1-N 3.16Å; D1121-G1125 PolarHBondContact N-O 2.94Å; D1121-G1125 PolarHBondContact O-N 3.35Å; D1121-G1125 VanDerWaalsContact O-O 3.14Å; D1121-R1127 HydrophobicContact CB-CG 4.32Å; D1121-R1127 IonicContact OD2-CZ 3.47Å; D1121-R1127 IonicContact OD2-NE 3.98Å; D1121-R1127 PolarHBondContact OD2-NE 3.12Å; D1121-R1127 IonicContact OD2-NH2 3.37Å; D1121-R1127 PolarHBondContact OD2-NH2 3.34Å
1122	P	78.6	Confident	84.5	Confident	132 Å²	132	46.5 Å²	46.5	86%	0.857	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-21	178.8	-27.1	35.8	0	0	0	115.7
1123	Q	75.1	Confident	84.2	Confident	178 Å²	178	48.7 Å²	48.7	83%	0.832	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-52	-178.4	-59.8	-173.5	3.7	0	0	112.6	D1121	D1121-Q1123 PolarHBondContact O-N 2.79Å; D1121-Q1123 VanDerWaalsContact O-N 3.11Å; D1121-Q1123 WeakPolarHBondContact OD1-CA 3.19Å; D1121-Q1123 PolarHBondContact OD1-N 3.3Å
1124	E	74.7	Confident	84.1	Confident	91 Å²	91	50.6 Å²	50.6	43%	0.425	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-16.2	-166	-61.2	-161.1	126.1	0	0	115.2	D1121 R1127 V1134 Y1136	D1121-E1124 PolarHBondContact OD1-N 3.44Å; D1121-E1124 VanDerWaalsContact OD1-N 3.16Å; E1124-R1127 IonicContact OE2-CZ 2.74Å; E1124-R1127 IonicContact OE2-NH1 2.62Å; E1124-R1127 PolarHBondContact OE2-NH1 3.03Å; E1124-R1127 IonicContact OE2-NH2 3.62Å; E1124-R1127 PolarHBondContact OE2-NH2 2.96Å; E1124-V1134 HydrophobicContact CB-CG1 3.87Å; E1124-V1134 HydrophobicContact CB-CG2 4.07Å; E1124-V1134 WeakPolarHBondContact O-CG1 3.41Å; E1124-V1134 WeakPolarHBondContact OE2-CG2 3.38Å; E1124-Y1136 VanDerWaalsContact O-CE1 3.24Å; E1124-Y1136 WeakPolarHBondContact O-CE1 3.22Å; E1124-Y1136 PolarHBondContact O-OH 3.49Å
1125	G	84.1	Confident	84.2	Confident	21 Å²	21	50.5 Å²	50.5	22%	0.216	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	129.5	-96.6	178.6	0	0	0	0	0	112.8	K1120 D1121	K1120-G1125 WeakPolarHBondContact CG-O 3.47Å; D1121-G1125 PolarHBondContact N-O 2.94Å; D1121-G1125 PolarHBondContact O-N 3.35Å; D1121-G1125 VanDerWaalsContact O-O 3.14Å
1126	Y	89.5	Confident	84.5	Confident	9 Å²	9	51.4 Å²	51.4	4%	0.035	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.3	167.5	-64.7	-102.4	0	0	0	109.2	K1119 K1120 V1134 V1135 I1137 Q1147 P1148 V1151 M1164	K1119-Y1126 CarbonylContact O-C 3.6Å; K1119-Y1126 WeakPolarHBondContact O-CA 3.43Å; K1120-Y1126 HydrophobicContact CB-CD1 3.86Å; K1120-Y1126 HydrophobicContact CB-CE1 3.77Å; K1120-Y1126 HydrophobicContact CG-CD1 4.38Å; K1120-Y1126 HydrophobicContact CG-CE1 4.15Å; Y1126-V1134 CarbonylContact O-C 3.59Å; Y1126-V1134 WeakPolarHBondContact O-CA 3.27Å; Y1126-V1135 WeakPolarHBondContact CB-O 3.42Å; Y1126-V1135 PolarHBondContact N-O 3.32Å; Y1126-V1135 PolarHBondContact O-N 3.39Å; Y1126-I1137 HydrophobicContact CD2-CG1 4.45Å; Y1126-I1137 HydrophobicContact CE2-CD1 3.8Å; Y1126-I1137 HydrophobicContact CE2-CG1 3.84Å; Y1126-I1137 WeakPolarHBondContact OH-CD1 3.26Å; Y1126-Q1147 VanDerWaalsContact OH-CA 3.29Å; Y1126-Q1147 WeakPolarHBondContact OH-CA 3.36Å; Y1126-Q1147 WeakPolarHBondContact OH-CB 3.39Å; Y1126-P1148 WeakPolarHBondContact CE1-O 3.47Å; Y1126-P1148 PolarHBondContact OH-O 2.95Å; Y1126-V1151 HydrophobicContact CD1-CG2 4.11Å; Y1126-V1151 HydrophobicContact CE1-CG1 4.24Å; Y1126-V1151 HydrophobicContact CE1-CG2 4.16Å; Y1126-M1164 HydrophobicContact CD1-CE 4.32Å; Y1126-M1164 HydrophobicContact CD2-CE 3.9Å; Y1126-M1164 HydrophobicContact CE2-CE 4.49Å; Y1126-M1164 HydrophobicContact CG-CE 3.82Å
1127	R	88	Confident	84.5	Confident	66 Å²	66	50.6 Å²	50.6	25%	0.249	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139	167.8	-66.4	-172.4	-162.5	-80.5	-7.3	111	A1118 K1119 D1121 E1124 Q1133	A1118-R1127 CarbonylContact C-O 3.57Å; A1118-R1127 WeakPolarHBondContact CA-O 3.4Å; A1118-R1127 VanDerWaalsContact CB-O 3.3Å; A1118-R1127 WeakPolarHBondContact CB-O 3.15Å; K1119-R1127 PolarHBondContact N-O 2.99Å; K1119-R1127 PolarHBondContact O-N 3.38Å; D1121-R1127 HydrophobicContact CB-CG 4.32Å; D1121-R1127 IonicContact OD2-CZ 3.47Å; D1121-R1127 IonicContact OD2-NE 3.98Å; D1121-R1127 PolarHBondContact OD2-NE 3.12Å; D1121-R1127 IonicContact OD2-NH2 3.37Å; D1121-R1127 PolarHBondContact OD2-NH2 3.34Å; E1124-R1127 IonicContact OE2-CZ 2.74Å; E1124-R1127 IonicContact OE2-NH1 2.62Å; E1124-R1127 PolarHBondContact OE2-NH1 3.03Å; E1124-R1127 IonicContact OE2-NH2 3.62Å; E1124-R1127 PolarHBondContact OE2-NH2 2.96Å; R1127-Q1133 VanDerWaalsContact CA-O 3.27Å; R1127-Q1133 WeakPolarHBondContact CA-O 3.46Å
1128	T	87.3	Confident	84.5	Confident	8 Å²	8	52.8 Å²	52.8	5%	0.049	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	142.9	165.9	58.3	0	0	0	0	109.9	I1130 Q1132 Q1133 V1135 Y1153 L1156	T1128-I1130 VanDerWaalsContact C-N 3.28Å; T1128-I1130 PolarHBondContact O-N 3.37Å; T1128-Q1132 VanDerWaalsContact O-CA 3.25Å; T1128-Q1132 WeakPolarHBondContact O-CA 3.44Å; T1128-Q1132 PolarHBondContact O-N 2.82Å; T1128-Q1132 VanDerWaalsContact O-N 3.12Å; T1128-Q1132 PolarHBondContact OG1-N 3.39Å; T1128-Q1133 PolarHBondContact N-O 3.12Å; T1128-Q1133 VanDerWaalsContact N-O 3.1Å; T1128-Q1133 PolarHBondContact OG1-N 3.12Å; T1128-V1135 HydrophobicContact CG2-CG1 3.8Å; T1128-V1135 HydrophobicContact CG2-CG2 4.08Å; T1128-Y1153 HydrophobicContact CG2-CE1 4.48Å; T1128-L1156 HydrophobicContact CG2-CD1 4.22Å
1129	L	82.4	Confident	84.2	Confident	33 Å²	33	56.3 Å²	56.3	17%	0.173	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-30.6	-177.7	-65	-176.5	0	0	0	113.1	L443 A1117 K1119 W1150 L1175 F1183	L443-L1129 WeakPolarHBondContact CD1-O 3.22Å; A1117-L1129 HydrophobicContact CB-CD1 3.66Å; A1117-L1129 HydrophobicContact CB-CG 4.18Å; A1117-L1129 PolarHBondContact O-N 3.04Å; A1117-L1129 VanDerWaalsContact O-N 3.09Å; K1119-L1129 HydrophobicContact CB-CD2 4.04Å; L1129-W1150 HydrophobicContact CD1-CZ3 3.94Å; L1129-W1150 HydrophobicContact CD2-CH2 4.43Å; L1129-W1150 HydrophobicContact CD2-CZ3 3.8Å; L1129-W1150 HydrophobicContact CG-CZ3 4.49Å; L1129-L1175 HydrophobicContact CD1-CD1 4.04Å; L1129-F1183 HydrophobicContact CB-CE1 4.49Å; L1129-F1183 HydrophobicContact CD1-CE1 3.78Å; L1129-F1183 HydrophobicContact CD1-CZ 3.81Å
1130	I	78.5	Confident	83.8	Confident	54 Å²	54	55.7 Å²	55.7	28%	0.277	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-59.1	-172	-54.7	174	0	0	0	110.8	R1115 T1128 F1182	R1115-I1130 HydrophobicContact CB-CD1 4.4Å; R1115-I1130 HydrophobicContact CG-CD1 3.32Å; R1115-I1130 WeakPolarHBondContact O-CD1 3.33Å; T1128-I1130 VanDerWaalsContact C-N 3.28Å; T1128-I1130 PolarHBondContact O-N 3.37Å; I1130-F1182 HydrophobicContact CD1-CE1 4.2Å; I1130-F1182 HydrophobicContact CD1-CZ 3.81Å; I1130-F1182 HydrophobicContact CG1-CE1 4.33Å; I1130-F1182 HydrophobicContact CG1-CZ 4.1Å
1131	D	73.9	Confident	83.7	Confident	56 Å²	56	53 Å²	53	30%	0.299	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-8.8	-172.4	-63.7	2.6	0	0	0	113.4	T871 Q1133	T871-D1131 WeakPolarHBondContact CA-OD2 3.32Å; T871-D1131 WeakPolarHBondContact CB-OD2 3.39Å; D1131-Q1133 HydrophobicContact CB-CB 4.4Å; D1131-Q1133 VanDerWaalsContact CB-CD 3.42Å; D1131-Q1133 HydrophobicContact CB-CG 3.75Å; D1131-Q1133 VanDerWaalsContact CB-NE2 3.27Å; D1131-Q1133 PolarHBondContact O-N 2.9Å; D1131-Q1133 VanDerWaalsContact O-N 3.11Å; D1131-Q1133 PolarHBondContact OD2-NE2 3.43Å; D1131-Q1133 PolarHBondContact OD2-OE1 3.03Å
1132	Q	79.8	Confident	83.7	Confident	87 Å²	87	52.4 Å²	52.4	41%	0.407	28%	0.28	S	S	.	.			trans	58	18.4	-173.5	-56.2	-178.9	51.3	0	0	114.5	T1128 Q1194	T1128-Q1132 VanDerWaalsContact O-CA 3.25Å; T1128-Q1132 WeakPolarHBondContact O-CA 3.44Å; T1128-Q1132 PolarHBondContact O-N 2.82Å; T1128-Q1132 VanDerWaalsContact O-N 3.12Å; T1128-Q1132 PolarHBondContact OG1-N 3.39Å; Q1132-Q1194 VanDerWaalsContact CD-NE2 3.28Å
1133	Q	83.1	Confident	84	Confident	45 Å²	45	46.2 Å²	46.2	21%	0.21	24%	0.24	C	C	.	.			trans	-66.2	141.6	177.9	-75.6	157.6	6.8	0	0	111.7	T871 R1127 T1128 D1131 V1135	T871-Q1133 VanDerWaalsContact CG2-NE2 3.27Å; R1127-Q1133 VanDerWaalsContact CA-O 3.27Å; R1127-Q1133 WeakPolarHBondContact CA-O 3.46Å; T1128-Q1133 PolarHBondContact N-O 3.12Å; T1128-Q1133 VanDerWaalsContact N-O 3.1Å; T1128-Q1133 PolarHBondContact OG1-N 3.12Å; D1131-Q1133 HydrophobicContact CB-CB 4.4Å; D1131-Q1133 VanDerWaalsContact CB-CD 3.42Å; D1131-Q1133 HydrophobicContact CB-CG 3.75Å; D1131-Q1133 VanDerWaalsContact CB-NE2 3.27Å; D1131-Q1133 PolarHBondContact O-N 2.9Å; D1131-Q1133 VanDerWaalsContact O-N 3.11Å; D1131-Q1133 PolarHBondContact OD2-NE2 3.43Å; D1131-Q1133 PolarHBondContact OD2-OE1 3.03Å; Q1133-V1135 PolarHBondContact O-N 2.96Å
1134	V	88.1	Confident	84.5	Confident	40 Å²	40	42.3 Å²	42.3	24%	0.242	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	110	-175.6	-179.1	0	0	0	0	110.7	E1124 Y1126 Y1136	E1124-V1134 HydrophobicContact CB-CG1 3.87Å; E1124-V1134 HydrophobicContact CB-CG2 4.07Å; E1124-V1134 WeakPolarHBondContact O-CG1 3.41Å; E1124-V1134 WeakPolarHBondContact OE2-CG2 3.38Å; Y1126-V1134 CarbonylContact O-C 3.59Å; Y1126-V1134 WeakPolarHBondContact O-CA 3.27Å; V1134-Y1136 HydrophobicContact CG1-CE2 4.03Å; V1134-Y1136 WeakPolarHBondContact CG1-OH 3.35Å
1135	V	89.6	Confident	84.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	154	-173.7	-63	0	0	0	0	112	A1118 Y1126 T1128 Q1133 L1156 E1162 M1164	A1118-V1135 HydrophobicContact CB-CG2 4.27Å; Y1126-V1135 WeakPolarHBondContact CB-O 3.42Å; Y1126-V1135 PolarHBondContact N-O 3.32Å; Y1126-V1135 PolarHBondContact O-N 3.39Å; T1128-V1135 HydrophobicContact CG2-CG1 3.8Å; T1128-V1135 HydrophobicContact CG2-CG2 4.08Å; Q1133-V1135 PolarHBondContact O-N 2.96Å; V1135-L1156 HydrophobicContact CG1-CD1 3.73Å; V1135-L1156 HydrophobicContact CG1-CG 4.41Å; V1135-E1162 HydrophobicContact CG1-CB 4.07Å; V1135-M1164 HydrophobicContact CB-CG 4.14Å; V1135-M1164 HydrophobicContact CB-SD 4.46Å; V1135-M1164 HydrophobicContact CG2-CE 3.9Å; V1135-M1164 HydrophobicContact CG2-CG 4.02Å; V1135-M1164 HydrophobicContact CG2-SD 3.71Å
1136	Y	90.4	Very high	84.5	Confident	68 Å²	68	51.1 Å²	51.1	27%	0.267	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.9	-176.7	-61.1	-79.5	0	0	0	111.7	E1124 V1134 H1138 K1161 E1162 Y1163 M1164	E1124-Y1136 VanDerWaalsContact O-CE1 3.24Å; E1124-Y1136 WeakPolarHBondContact O-CE1 3.22Å; E1124-Y1136 PolarHBondContact O-OH 3.49Å; V1134-Y1136 HydrophobicContact CG1-CE2 4.03Å; V1134-Y1136 WeakPolarHBondContact CG1-OH 3.35Å; Y1136-H1138 PolarHBondContact O-N 3.09Å; Y1136-K1161 HydrophobicContact CD2-CB 4.12Å; Y1136-K1161 HydrophobicContact CD2-CD 3.83Å; Y1136-K1161 HydrophobicContact CE2-CB 4.5Å; Y1136-K1161 HydrophobicContact CE2-CD 3.72Å; Y1136-E1162 PolarHBondContact N-O 3.49Å; Y1136-Y1163 CarbonylContact O-C 3.34Å; Y1136-Y1163 VanDerWaalsContact O-CA 3.29Å; Y1136-Y1163 WeakPolarHBondContact O-CA 3.29Å; Y1136-M1164 PolarHBondContact O-N 2.81Å
1137	I	90.4	Very high	84.1	Confident	11 Å²	11	56.4 Å²	56.4	6%	0.056	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	129.3	169.7	-66.2	178.9	0	0	0	108.8	Y1126 S1141 L1143 F1144 M1164 V1167	Y1126-I1137 HydrophobicContact CD2-CG1 4.45Å; Y1126-I1137 HydrophobicContact CE2-CD1 3.8Å; Y1126-I1137 HydrophobicContact CE2-CG1 3.84Å; Y1126-I1137 WeakPolarHBondContact OH-CD1 3.26Å; I1137-S1141 VanDerWaalsContact CG2-CB 3.44Å; I1137-L1143 HydrophobicContact CD1-CB 4.29Å; I1137-F1144 HydrophobicContact CG2-CB 4.38Å; I1137-F1144 HydrophobicContact CG2-CD2 4.5Å; I1137-M1164 HydrophobicContact CG1-CE 3.85Å; I1137-V1167 HydrophobicContact CD1-CG1 4.46Å; I1137-V1167 HydrophobicContact CG2-CG2 4.38Å
1138	H	88	Confident	84	Confident	46 Å²	46	54.5 Å²	54.5	21%	0.213	28%	0.276	C	S	.	.			trans	-62.3	136.6	177.6	-168.9	-112.5	0	0	0	111.3	Y1136 S1140 S1141 Y1163 M1164 R1165	Y1136-H1138 PolarHBondContact O-N 3.09Å; H1138-S1140 PolarHBondContact CE1-OG 2.88Å; H1138-S1140 PolarHBondContact ND1-OG 3.35Å; H1138-S1140 PolarHBondContact O-N 3.08Å; H1138-S1141 WeakPolarHBondContact O-CB 3.31Å; H1138-S1141 PolarHBondContact O-N 3.41Å; H1138-Y1163 HydrophobicContact CB-CD1 4.48Å; H1138-Y1163 HydrophobicContact CB-CG 4.49Å; H1138-Y1163 AromaticContact CD2-CG 3.82Å; H1138-M1164 VanDerWaalsContact CB-O 3.26Å; H1138-M1164 WeakPolarHBondContact CB-O 3.47Å; H1138-M1164 PolarHBondContact N-O 3.28Å; H1138-R1165 HydrophobicContact CB-CG 4.29Å
1139	P	84.6	Confident	84	Confident	75 Å²	75	58 Å²	58	49%	0.487	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-9.9	-178.3	-27.3	35.8	0	0	0	116.3	F1144	P1139-F1144 HydrophobicContact CB-CD2 4.3Å; P1139-F1144 HydrophobicContact CB-CE2 4.19Å; P1139-F1144 HydrophobicContact CB-CZ 4.39Å; P1139-F1144 HydrophobicContact CG-CD2 4.39Å; P1139-F1144 HydrophobicContact CG-CE2 3.96Å; P1139-F1144 HydrophobicContact CG-CZ 4.35Å
1140	S	82.5	Confident	84.4	Confident	55 Å²	55	57.2 Å²	57.2	39%	0.385	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-2.3	171.2	75.6	0	0	0	0	114.5	K1034 H1138	K1034-S1140 PolarHBondContact NZ-O 2.84Å; H1138-S1140 PolarHBondContact CE1-OG 2.88Å; H1138-S1140 PolarHBondContact ND1-OG 3.35Å; H1138-S1140 PolarHBondContact O-N 3.08Å
1141	S	85.6	Confident	85.1	Confident	8 Å²	8	54.7 Å²	54.7	6%	0.056	27%	0.273	C	S	.	.	S	Bend	trans	-75.2	144	178	179.9	0	0	0	0	111.5	D1043 I1137 H1138 L1143 F1144	D1043-S1141 WeakPolarHBondContact OD1-CA 3.29Å; D1043-S1141 PolarHBondContact OD1-OG 2.78Å; D1043-S1141 VanDerWaalsContact OD2-CB 3.25Å; D1043-S1141 WeakPolarHBondContact OD2-CB 3.12Å; D1043-S1141 PolarHBondContact OD2-OG 3.21Å; I1137-S1141 VanDerWaalsContact CG2-CB 3.44Å; H1138-S1141 WeakPolarHBondContact O-CB 3.31Å; H1138-S1141 PolarHBondContact O-N 3.41Å; S1141-L1143 PolarHBondContact O-N 3.21Å; S1141-L1143 PolarHBondContact OG-N 3.08Å; S1141-F1144 WeakPolarHBondContact O-CB 3.44Å; S1141-F1144 PolarHBondContact O-N 2.98Å
1142	A	84.1	Confident	86	Confident	17 Å²	17	52 Å²	52	14%	0.14	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.3	167.7	0	0	0	0	0	112.3	H1038 D1043	H1038-A1142 HydrophobicContact CB-CB 3.95Å; D1043-A1142 WeakPolarHBondContact OD1-CB 3.25Å; D1043-A1142 PolarHBondContact OD1-N 3Å
1143	L	85	Confident	86.5	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	3.3	177.7	-64.1	177.9	0	0	0	114	I1137 S1141 N1145 R1146 V1167 T1169	I1137-L1143 HydrophobicContact CD1-CB 4.29Å; S1141-L1143 PolarHBondContact O-N 3.21Å; S1141-L1143 PolarHBondContact OG-N 3.08Å; L1143-N1145 VanDerWaalsContact C-N 3.28Å; L1143-N1145 PolarHBondContact O-N 3.08Å; L1143-R1146 CarbonylContact O-C 3.52Å; L1143-R1146 VanDerWaalsContact O-C 3.32Å; L1143-R1146 PolarHBondContact O-N 3.03Å; L1143-R1146 VanDerWaalsContact O-N 3.11Å; L1143-V1167 HydrophobicContact CD1-CB 4.18Å; L1143-V1167 HydrophobicContact CD1-CG1 3.97Å; L1143-V1167 WeakPolarHBondContact CD1-O 3.36Å; L1143-T1169 HydrophobicContact CD1-CG2 3.99Å; L1143-T1169 HydrophobicContact CD2-CG2 4.15Å
1144	F	84.8	Confident	86.8	Confident	96 Å²	96	47.4 Å²	47.4	42%	0.421	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-40	179.2	-176.4	-105.7	0	0	0	112.9	I1137 P1139 S1141	I1137-F1144 HydrophobicContact CG2-CB 4.38Å; I1137-F1144 HydrophobicContact CG2-CD2 4.5Å; P1139-F1144 HydrophobicContact CB-CD2 4.3Å; P1139-F1144 HydrophobicContact CB-CE2 4.19Å; P1139-F1144 HydrophobicContact CB-CZ 4.39Å; P1139-F1144 HydrophobicContact CG-CD2 4.39Å; P1139-F1144 HydrophobicContact CG-CE2 3.96Å; P1139-F1144 HydrophobicContact CG-CZ 4.35Å; S1141-F1144 WeakPolarHBondContact O-CB 3.44Å; S1141-F1144 PolarHBondContact O-N 2.98Å
1145	N	79.9	Confident	86.7	Confident	155 Å²	155	49.8 Å²	49.8	83%	0.829	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-9	178.1	-68.4	-3	0	0	0	114.1	L1143	L1143-N1145 VanDerWaalsContact C-N 3.28Å; L1143-N1145 PolarHBondContact O-N 3.08Å
1146	R	79.6	Confident	86.4	Confident	143 Å²	143	50.8 Å²	50.8	54%	0.54	25%	0.251	S	S	.	.			trans	-126.8	102.1	-178.6	-176.2	-171.6	-171.7	-158.4	1.8	108.5	A1040 L1143 P1148	A1040-R1146 PolarHBondContact O-NH1 2.97Å; L1143-R1146 CarbonylContact O-C 3.52Å; L1143-R1146 VanDerWaalsContact O-C 3.32Å; L1143-R1146 PolarHBondContact O-N 3.03Å; L1143-R1146 VanDerWaalsContact O-N 3.11Å; R1146-P1148 WeakPolarHBondContact O-CD 3.02Å
1147	Q	80.5	Confident	85.8	Confident	119 Å²	119	48.9 Å²	48.9	56%	0.556	25%	0.246	S	C	*	.			trans	-93.7	88.6	-176.3	-62.6	175.1	-4	0	0	112.1	K1120 Y1126	K1120-Q1147 HydrophobicContact CD-CB 4.43Å; K1120-Q1147 VanDerWaalsContact CE-OE1 3.24Å; K1120-Q1147 VanDerWaalsContact NZ-CB 3.28Å; K1120-Q1147 PolarHBondContact NZ-O 3.47Å; Y1126-Q1147 VanDerWaalsContact OH-CA 3.29Å; Y1126-Q1147 WeakPolarHBondContact OH-CA 3.36Å; Y1126-Q1147 WeakPolarHBondContact OH-CB 3.39Å
1148	P	86.8	Confident	85.1	Confident	27 Å²	27	51.5 Å²	51.5	18%	0.175	26%	0.259	C	S	.	.			trans	-61.8	167.8	169.6	34.7	-43.1	0	0	0	111.1	Y1126 R1146 V1151 T1169	Y1126-P1148 WeakPolarHBondContact CE1-O 3.47Å; Y1126-P1148 PolarHBondContact OH-O 2.95Å; R1146-P1148 WeakPolarHBondContact O-CD 3.02Å; P1148-V1151 HydrophobicContact CB-CG1 4.45Å; P1148-V1151 HydrophobicContact CG-CG1 3.34Å; P1148-T1169 HydrophobicContact CB-CG2 4.05Å; P1148-T1169 HydrophobicContact CG-CG2 4.04Å
1149	E	87.1	Confident	84.3	Confident	80 Å²	80	53 Å²	53	37%	0.374	27%	0.272	S	S	.	.	S	Bend	trans	-78.3	-45.6	174.1	-168	-163.9	145	0	0	112.6	K1119 K1120	K1119-E1149 CarbonylContact C-O 3.59Å; K1119-E1149 WeakPolarHBondContact CA-O 3.44Å; K1119-E1149 WeakPolarHBondContact CE-OE1 3.25Å; K1119-E1149 HydrophobicContact CG-CG 4.44Å; K1119-E1149 IonicContact NZ-OE1 2.97Å; K1119-E1149 PolarHBondContact NZ-OE1 2.92Å; K1120-E1149 HydrophobicContact CB-CG 4.31Å; K1120-E1149 WeakPolarHBondContact CB-O 3.46Å; K1120-E1149 PolarHBondContact N-O 2.92Å
1150	W	90.2	Very high	83.7	Confident	18 Å²	18	53.5 Å²	53.5	7%	0.068	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.3	-176.9	-65.3	83	0	0	0	111.7	I441 K1119 L1129 I1170 P1172 L1175	I441-W1150 HydrophobicContact CB-CH2 4.35Å; I441-W1150 HydrophobicContact CD1-CH2 4.08Å; I441-W1150 HydrophobicContact CD1-CZ3 4.16Å; I441-W1150 HydrophobicContact CG1-CH2 4.19Å; K1119-W1150 HydrophobicContact CB-CD2 4.43Å; K1119-W1150 HydrophobicContact CB-CE3 4.29Å; K1119-W1150 HydrophobicContact CB-CZ3 4.38Å; K1119-W1150 HydrophobicContact CD-CH2 4.07Å; K1119-W1150 HydrophobicContact CD-CZ2 3.67Å; K1119-W1150 HydrophobicContact CG-CZ2 4.45Å; L1129-W1150 HydrophobicContact CD1-CZ3 3.94Å; L1129-W1150 HydrophobicContact CD2-CH2 4.43Å; L1129-W1150 HydrophobicContact CD2-CZ3 3.8Å; L1129-W1150 HydrophobicContact CG-CZ3 4.49Å; W1150-I1170 HydrophobicContact CB-CD1 4.43Å; W1150-I1170 HydrophobicContact CB-CG1 4.03Å; W1150-I1170 PolarHBondContact O-N 2.87Å; W1150-P1172 HydrophobicContact CD2-CB 4.11Å; W1150-P1172 HydrophobicContact CE3-CB 4.39Å; W1150-P1172 HydrophobicContact CH2-CB 4.34Å; W1150-P1172 HydrophobicContact CZ2-CB 4.05Å; W1150-P1172 HydrophobicContact CZ3-CB 4.5Å; W1150-L1175 HydrophobicContact CE3-CD1 4.23Å; W1150-L1175 HydrophobicContact CZ3-CD1 4.18Å
1151	V	92.3	Very high	83.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152.4	179.5	-62.9	0	0	0	0	112.6	A1117 A1118 Y1126 P1148 M1164 V1167 T1168	A1117-V1151 WeakPolarHBondContact CA-O 3.45Å; A1118-V1151 HydrophobicContact CB-CG2 3.96Å; A1118-V1151 PolarHBondContact N-O 3.46Å; A1118-V1151 PolarHBondContact O-N 3.44Å; Y1126-V1151 HydrophobicContact CD1-CG2 4.11Å; Y1126-V1151 HydrophobicContact CE1-CG1 4.24Å; Y1126-V1151 HydrophobicContact CE1-CG2 4.16Å; P1148-V1151 HydrophobicContact CB-CG1 4.45Å; P1148-V1151 HydrophobicContact CG-CG1 3.34Å; V1151-M1164 HydrophobicContact CG2-CE 4.18Å; V1151-M1164 HydrophobicContact CG2-SD 4.04Å; V1151-V1167 HydrophobicContact CB-CG1 3.63Å; V1151-V1167 HydrophobicContact CG1-CG1 3.72Å; V1151-V1167 HydrophobicContact CG2-CG1 4.11Å; V1151-T1168 WeakPolarHBondContact CA-O 3.45Å
1152	V	92.9	Very high	83.5	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140.3	162.6	165.1	0	0	0	0	108.6	I1109 F1113 N1116 A1117 T1168 I1170	I1109-V1152 HydrophobicContact CG2-CG1 4.11Å; F1113-V1152 HydrophobicContact CB-CG1 3.44Å; F1113-V1152 VanDerWaalsContact CB-CG1 3.44Å; F1113-V1152 HydrophobicContact CG-CG1 4.49Å; N1116-V1152 WeakPolarHBondContact O-CA 3.23Å; A1117-V1152 HydrophobicContact CB-CG2 4.16Å; V1152-T1168 PolarHBondContact N-O 3.3Å; V1152-T1168 PolarHBondContact O-N 2.97Å; V1152-I1170 HydrophobicContact CB-CG2 4.15Å; V1152-I1170 HydrophobicContact CG2-CD1 3.75Å; V1152-I1170 HydrophobicContact CG2-CG1 4.09Å; V1152-I1170 HydrophobicContact CG2-CG2 3.84Å
1153	Y	91.9	Very high	83.7	Confident	17 Å²	17	58.4 Å²	58.4	7%	0.067	28%	0.284	C	S	.	.			trans	-122.7	152.1	-179.3	59.2	-92	0	0	0	111.5	N1116 A1118 T1128 L1156 M1164	N1116-Y1153 VanDerWaalsContact C-CE1 3.4Å; N1116-Y1153 HydrophobicContact CB-CD1 4.46Å; N1116-Y1153 HydrophobicContact CB-CD2 3.92Å; N1116-Y1153 HydrophobicContact CB-CE1 4.24Å; N1116-Y1153 HydrophobicContact CB-CE2 3.66Å; N1116-Y1153 HydrophobicContact CB-CG 4.31Å; N1116-Y1153 VanDerWaalsContact CB-O 3.23Å; N1116-Y1153 WeakPolarHBondContact CB-O 3.33Å; N1116-Y1153 WeakPolarHBondContact O-CD1 3.32Å; N1116-Y1153 WeakPolarHBondContact O-CE1 3.28Å; N1116-Y1153 PolarHBondContact O-N 3.24Å; A1118-Y1153 HydrophobicContact CB-CD1 4.44Å; A1118-Y1153 HydrophobicContact CB-CE1 4.22Å; T1128-Y1153 HydrophobicContact CG2-CE1 4.48Å; Y1153-L1156 HydrophobicContact CD2-CB 4.29Å; Y1153-L1156 HydrophobicContact CE2-CB 3.82Å; Y1153-L1156 HydrophobicContact CE2-CD1 4.44Å; Y1153-M1164 HydrophobicContact CD1-CG 3.81Å; Y1153-M1164 HydrophobicContact CD1-SD 3.49Å; Y1153-M1164 WeakPolarHBondContact CD1-SD 3.34Å; Y1153-M1164 HydrophobicContact CD2-CG 4.43Å; Y1153-M1164 HydrophobicContact CE1-CG 4.36Å; Y1153-M1164 HydrophobicContact CE1-SD 4.08Å; Y1153-M1164 HydrophobicContact CG-CB 4.14Å; Y1153-M1164 HydrophobicContact CG-CG 3.86Å; Y1153-M1164 HydrophobicContact CG-SD 4.08Å
1154	H	88.9	Confident	83.9	Confident	18 Å²	18	58.3 Å²	58.3	8%	0.083	28%	0.283	C	S	.	.	S	Bend	trans	-80.3	-61.2	177.8	-176.8	26.7	0	0	0	111.2	F1113 N1116 R1165 E1166	F1113-H1154 AromaticContact CE1-ND1 3.38Å; F1113-H1154 WeakPolarHBondContact CE1-ND1 3.35Å; F1113-H1154 AromaticContact CZ-CE1 3.76Å; F1113-H1154 AromaticContact CZ-ND1 3.26Å; F1113-H1154 VanDerWaalsContact CZ-ND1 3.26Å; F1113-H1154 WeakPolarHBondContact CZ-ND1 3.5Å; N1116-H1154 PolarHBondContact ND2-O 3.33Å; H1154-R1165 PolarHBondContact N-O 2.91Å; H1154-E1166 HydrophobicContact CB-CB 3.8Å
1155	E	84.8	Confident	84.1	Confident	90 Å²	90	56.5 Å²	56.5	42%	0.421	27%	0.274	S	S	.	.			trans	-117.8	150.4	178.1	-64.5	-173	155.1	0	0	110.8	V1157 R1165	E1155-V1157 HydrophobicContact CB-CG2 4.29Å; E1155-R1165 HydrophobicContact CB-CB 4.44Å; E1155-R1165 PolarHBondContact O-N 3.26Å; E1155-R1165 IonicContact OE2-NH1 3.53Å
1156	L	84.2	Confident	84.6	Confident	22 Å²	22	50.8 Å²	50.8	12%	0.115	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.3	165.1	-175	169.4	0	0	0	107.4	I873 T1128 V1135 Y1153 E1162	I873-L1156 HydrophobicContact CD1-CD1 4.1Å; I873-L1156 HydrophobicContact CD1-CD2 3.78Å; I873-L1156 HydrophobicContact CG1-CD1 4.3Å; I873-L1156 HydrophobicContact CG1-CD2 4.07Å; I873-L1156 HydrophobicContact CG2-CD2 4Å; T1128-L1156 HydrophobicContact CG2-CD1 4.22Å; V1135-L1156 HydrophobicContact CG1-CD1 3.73Å; V1135-L1156 HydrophobicContact CG1-CG 4.41Å; Y1153-L1156 HydrophobicContact CD2-CB 4.29Å; Y1153-L1156 HydrophobicContact CE2-CB 3.82Å; Y1153-L1156 HydrophobicContact CE2-CD1 4.44Å; L1156-E1162 HydrophobicContact CD2-CB 3.98Å; L1156-E1162 HydrophobicContact CD2-CG 4.11Å
1157	V	78.8	Confident	85.2	Confident	27 Å²	27	44 Å²	44	16%	0.164	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	113.5	-176.2	-174.6	0	0	0	0	110.2	E1155 T1159 Y1163 R1165	E1155-V1157 HydrophobicContact CB-CG2 4.29Å; V1157-T1159 HydrophobicContact CG1-CG2 4.08Å; V1157-Y1163 PolarHBondContact N-O 3.16Å; V1157-Y1163 PolarHBondContact O-N 2.62Å; V1157-R1165 HydrophobicContact CG2-CG 4.4Å
1158	L	74.1	Confident	85.8	Confident	66 Å²	66	38.3 Å²	38.3	35%	0.346	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	129.5	169.9	178.9	63.6	0	0	0	110.3	Q875 E1162	Q875-L1158 HydrophobicContact CG-CB 4.37Å; Q875-L1158 HydrophobicContact CG-CD2 4.08Å; L1158-E1162 HydrophobicContact CB-CG 4.41Å; L1158-E1162 HydrophobicContact CD1-CG 3.61Å
1159	T	72.7	Confident	86	Confident	77 Å²	77	38.2 Å²	38.2	47%	0.472	19%	0.189	S	C	.	.	S	Bend	trans	-134.8	-116.8	173.8	60.7	0	0	0	0	109.6	V1157 K1161 Y1163	V1157-T1159 HydrophobicContact CG1-CG2 4.08Å; T1159-K1161 VanDerWaalsContact C-N 3.31Å; T1159-K1161 PolarHBondContact N-O 3.34Å; T1159-K1161 PolarHBondContact OG1-O 3.08Å; T1159-Y1163 VanDerWaalsContact OG1-CD2 3.28Å; T1159-Y1163 WeakPolarHBondContact OG1-CD2 3.08Å; T1159-Y1163 WeakPolarHBondContact OG1-CE2 3.34Å
1160	T	71.4	Confident	86.2	Confident	86 Å²	86	35.2 Å²	35.2	53%	0.528	18%	0.175	S	C	.	.	S	Bend	trans	-78.7	-19.9	161.6	51	0	0	0	0	112.4
1161	K	79.9	Confident	86.1	Confident	100 Å²	100	36.6 Å²	36.6	44%	0.435	18%	0.184	S	C	.	.	S	Bend	trans	-141.6	165.6	169.1	-68.8	-168.3	168.1	-155	0	108.6	Y1136 T1159 Y1163	Y1136-K1161 HydrophobicContact CD2-CB 4.12Å; Y1136-K1161 HydrophobicContact CD2-CD 3.83Å; Y1136-K1161 HydrophobicContact CE2-CB 4.5Å; Y1136-K1161 HydrophobicContact CE2-CD 3.72Å; T1159-K1161 VanDerWaalsContact C-N 3.31Å; T1159-K1161 PolarHBondContact N-O 3.34Å; T1159-K1161 PolarHBondContact OG1-O 3.08Å; K1161-Y1163 HydrophobicContact CB-CE2 3.96Å; K1161-Y1163 WeakPolarHBondContact O-CD2 3.34Å
1162	E	84.4	Confident	85.7	Confident	38 Å²	38	37.6 Å²	37.6	18%	0.178	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	119.9	171.7	-67.5	-177.8	177.9	0	0	110.3	V1135 Y1136 L1156 L1158	V1135-E1162 HydrophobicContact CG1-CB 4.07Å; Y1136-E1162 PolarHBondContact N-O 3.49Å; L1156-E1162 HydrophobicContact CD2-CB 3.98Å; L1156-E1162 HydrophobicContact CD2-CG 4.11Å; L1158-E1162 HydrophobicContact CB-CG 4.41Å; L1158-E1162 HydrophobicContact CD1-CG 3.61Å
1163	Y	87.4	Confident	85.4	Confident	45 Å²	45	42.1 Å²	42.1	18%	0.176	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.4	-178.6	-70.6	-69.8	0	0	0	112.1	Y1136 H1138 V1157 T1159 K1161	Y1136-Y1163 CarbonylContact O-C 3.34Å; Y1136-Y1163 VanDerWaalsContact O-CA 3.29Å; Y1136-Y1163 WeakPolarHBondContact O-CA 3.29Å; H1138-Y1163 HydrophobicContact CB-CD1 4.48Å; H1138-Y1163 HydrophobicContact CB-CG 4.49Å; H1138-Y1163 AromaticContact CD2-CG 3.82Å; V1157-Y1163 PolarHBondContact N-O 3.16Å; V1157-Y1163 PolarHBondContact O-N 2.62Å; T1159-Y1163 VanDerWaalsContact OG1-CD2 3.28Å; T1159-Y1163 WeakPolarHBondContact OG1-CD2 3.08Å; T1159-Y1163 WeakPolarHBondContact OG1-CE2 3.34Å; K1161-Y1163 HydrophobicContact CB-CE2 3.96Å; K1161-Y1163 WeakPolarHBondContact O-CD2 3.34Å
1164	M	89.8	Confident	85.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	133.2	166.8	-64.9	-178.5	-70.6	0	0	110.3	A1118 Y1126 V1135 Y1136 I1137 H1138 V1151 Y1153 V1167	A1118-M1164 HydrophobicContact CB-SD 3.78Å; Y1126-M1164 HydrophobicContact CD1-CE 4.32Å; Y1126-M1164 HydrophobicContact CD2-CE 3.9Å; Y1126-M1164 HydrophobicContact CE2-CE 4.49Å; Y1126-M1164 HydrophobicContact CG-CE 3.82Å; V1135-M1164 HydrophobicContact CB-CG 4.14Å; V1135-M1164 HydrophobicContact CB-SD 4.46Å; V1135-M1164 HydrophobicContact CG2-CE 3.9Å; V1135-M1164 HydrophobicContact CG2-CG 4.02Å; V1135-M1164 HydrophobicContact CG2-SD 3.71Å; Y1136-M1164 PolarHBondContact O-N 2.81Å; I1137-M1164 HydrophobicContact CG1-CE 3.85Å; H1138-M1164 VanDerWaalsContact CB-O 3.26Å; H1138-M1164 WeakPolarHBondContact CB-O 3.47Å; H1138-M1164 PolarHBondContact N-O 3.28Å; V1151-M1164 HydrophobicContact CG2-CE 4.18Å; V1151-M1164 HydrophobicContact CG2-SD 4.04Å; Y1153-M1164 HydrophobicContact CD1-CG 3.81Å; Y1153-M1164 HydrophobicContact CD1-SD 3.49Å; Y1153-M1164 WeakPolarHBondContact CD1-SD 3.34Å; Y1153-M1164 HydrophobicContact CD2-CG 4.43Å; Y1153-M1164 HydrophobicContact CE1-CG 4.36Å; Y1153-M1164 HydrophobicContact CE1-SD 4.08Å; Y1153-M1164 HydrophobicContact CG-CB 4.14Å; Y1153-M1164 HydrophobicContact CG-CG 3.86Å; Y1153-M1164 HydrophobicContact CG-SD 4.08Å; M1164-V1167 HydrophobicContact CB-CG2 3.97Å
1165	R	88.2	Confident	85.1	Confident	59 Å²	59	41.6 Å²	41.6	22%	0.223	20%	0.204	C	C	.	.			trans	-115.7	158.2	175	-64.4	-172.8	172.2	166.2	0.7	112.2	H1138 H1154 E1155 V1157	H1138-R1165 HydrophobicContact CB-CG 4.29Å; H1154-R1165 PolarHBondContact N-O 2.91Å; E1155-R1165 HydrophobicContact CB-CB 4.44Å; E1155-R1165 PolarHBondContact O-N 3.26Å; E1155-R1165 IonicContact OE2-NH1 3.53Å; V1157-R1165 HydrophobicContact CG2-CG 4.4Å
1166	E	90.1	Very high	85	Confident	35 Å²	35	38.9 Å²	38.9	16%	0.164	19%	0.194	C	C	.	.	S	Bend	trans	42	70.1	-174.8	-67	62.8	-107.8	0	0	112	L1014 D1043 H1044 L1047 H1154	L1014-E1166 HydrophobicContact CD2-CB 4.21Å; L1014-E1166 HydrophobicContact CD2-CG 3.88Å; D1043-E1166 HydrophobicContact CB-CB 4.29Å; H1044-E1166 PolarHBondContact CE1-O 3.1Å; H1044-E1166 PolarHBondContact ND1-O 2.84Å; L1047-E1166 HydrophobicContact CD1-CG 4.37Å; H1154-E1166 HydrophobicContact CB-CB 3.8Å
1167	V	92.8	Very high	85	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.			trans	-90.9	138	-169.8	-170.2	0	0	0	0	110.7	G1042 D1043 I1137 L1143 V1151 M1164	G1042-V1167 CarbonylContact C-O 3.56Å; G1042-V1167 VanDerWaalsContact CA-O 3.24Å; G1042-V1167 WeakPolarHBondContact CA-O 3.47Å; D1043-V1167 PolarHBondContact N-O 3.07Å; D1043-V1167 PolarHBondContact OD2-N 2.78Å; I1137-V1167 HydrophobicContact CD1-CG1 4.46Å; I1137-V1167 HydrophobicContact CG2-CG2 4.38Å; L1143-V1167 HydrophobicContact CD1-CB 4.18Å; L1143-V1167 HydrophobicContact CD1-CG1 3.97Å; L1143-V1167 WeakPolarHBondContact CD1-O 3.36Å; V1151-V1167 HydrophobicContact CB-CG1 3.63Å; V1151-V1167 HydrophobicContact CG1-CG1 3.72Å; V1151-V1167 HydrophobicContact CG2-CG1 4.11Å; M1164-V1167 HydrophobicContact CB-CG2 3.97Å
1168	T	92.4	Very high	85.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.8	176.6	-80.5	0	0	0	0	111.1	H1044 Q1106 I1109 V1151 V1152	H1044-T1168 PolarHBondContact ND1-OG1 2.82Å; Q1106-T1168 HydrophobicContact CB-CG2 4.47Å; Q1106-T1168 HydrophobicContact CG-CG2 4.06Å; I1109-T1168 HydrophobicContact CD1-CG2 4.32Å; V1151-T1168 WeakPolarHBondContact CA-O 3.45Å; V1152-T1168 PolarHBondContact N-O 3.3Å; V1152-T1168 PolarHBondContact O-N 2.97Å
1169	T	92.2	Very high	85.3	Confident	24 Å²	24	40.3 Å²	40.3	15%	0.147	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	137.1	175.3	62.1	0	0	0	0	110.4	E1041 Q1106 L1143 P1148	E1041-T1169 PolarHBondContact O-N 3.29Å; E1041-T1169 PolarHBondContact O-OG1 3.02Å; Q1106-T1169 PolarHBondContact NE2-O 3.13Å; Q1106-T1169 PolarHBondContact NE2-OG1 3.36Å; L1143-T1169 HydrophobicContact CD1-CG2 3.99Å; L1143-T1169 HydrophobicContact CD2-CG2 4.15Å; P1148-T1169 HydrophobicContact CB-CG2 4.05Å; P1148-T1169 HydrophobicContact CG-CG2 4.04Å
1170	I	90.6	Very high	85.5	Confident	17 Å²	17	41 Å²	41	9%	0.087	20%	0.202	C	C	.	.			trans	-130.8	158.6	173.9	56.6	147.4	0	0	0	111.7	C1110 W1150 V1152 W1174 L1175	C1110-I1170 HydrophobicContact CB-CG2 4.28Å; W1150-I1170 HydrophobicContact CB-CD1 4.43Å; W1150-I1170 HydrophobicContact CB-CG1 4.03Å; W1150-I1170 PolarHBondContact O-N 2.87Å; V1152-I1170 HydrophobicContact CB-CG2 4.15Å; V1152-I1170 HydrophobicContact CG2-CD1 3.75Å; V1152-I1170 HydrophobicContact CG2-CG1 4.09Å; V1152-I1170 HydrophobicContact CG2-CG2 3.84Å; I1170-W1174 HydrophobicContact CB-CE3 4.2Å; I1170-W1174 HydrophobicContact CB-CZ3 4.31Å; I1170-W1174 HydrophobicContact CG2-CE3 4.35Å; I1170-W1174 HydrophobicContact CG2-CZ3 4.38Å; I1170-L1175 HydrophobicContact CD1-CD1 3.69Å; I1170-L1175 HydrophobicContact CD1-CD2 4.01Å; I1170-L1175 HydrophobicContact CD1-CG 3.78Å
1171	D	88.6	Confident	85.5	Confident	48 Å²	48	40.6 Å²	40.6	26%	0.257	21%	0.208	S	C	.	.			trans	-92.7	131.5	164.6	154.2	19.4	0	0	0	108.6	R1173 W1174	D1171-R1173 PolarHBondContact O-N 3.49Å; D1171-R1173 VanDerWaalsContact OD1-CB 3.24Å; D1171-R1173 WeakPolarHBondContact OD1-CB 3.13Å; D1171-R1173 VanDerWaalsContact OD1-CG 3.27Å; D1171-R1173 WeakPolarHBondContact OD1-CG 3.42Å; D1171-R1173 PolarHBondContact OD1-N 2.69Å; D1171-W1174 HydrophobicContact CB-CD2 3.96Å; D1171-W1174 HydrophobicContact CB-CE3 4.42Å; D1171-W1174 HydrophobicContact CB-CG 4.4Å; D1171-W1174 HydrophobicContact CB-CH2 4.24Å; D1171-W1174 HydrophobicContact CB-CZ2 3.74Å; D1171-W1174 PolarHBondContact O-N 2.97Å; D1171-W1174 VanDerWaalsContact O-N 3.17Å; D1171-W1174 PolarHBondContact OD2-NE1 3.01Å
1172	P	84.5	Confident	85.2	Confident	20 Å²	20	37 Å²	37	13%	0.13	19%	0.192	C	C	.	.	H	α-helix	trans	-54.9	-32.7	179.8	20.4	-32.1	0	0	0	113.5	L439 I441 W1150 W1174 L1175	L439-P1172 HydrophobicContact CB-CG 4.37Å; I441-P1172 HydrophobicContact CD1-CB 3.68Å; I441-P1172 WeakPolarHBondContact CD1-O 3.47Å; I441-P1172 HydrophobicContact CG1-CB 4.43Å; W1150-P1172 HydrophobicContact CD2-CB 4.11Å; W1150-P1172 HydrophobicContact CE3-CB 4.39Å; W1150-P1172 HydrophobicContact CH2-CB 4.34Å; W1150-P1172 HydrophobicContact CZ2-CB 4.05Å; W1150-P1172 HydrophobicContact CZ3-CB 4.5Å; P1172-W1174 PolarHBondContact O-N 3.17Å; P1172-L1175 WeakPolarHBondContact O-CB 3.39Å; P1172-L1175 PolarHBondContact O-N 3Å
1173	R	86.6	Confident	85.1	Confident	95 Å²	95	35.3 Å²	35.3	36%	0.358	18%	0.184	S	C	.	.	H	α-helix	trans	-55.2	-31.1	-180	-63.1	168.9	170.3	173.3	-5.5	111.9	E434 E435 L439 D1171 E1177	E434-R1173 PolarHBondContact O-NH2 2.66Å; E435-R1173 IonicContact OE1-NH1 3.93Å; E435-R1173 PolarHBondContact OE1-NH1 3.21Å; L439-R1173 HydrophobicContact CD1-CG 3.77Å; L439-R1173 VanDerWaalsContact CD1-NE 3.3Å; D1171-R1173 PolarHBondContact O-N 3.49Å; D1171-R1173 VanDerWaalsContact OD1-CB 3.24Å; D1171-R1173 WeakPolarHBondContact OD1-CB 3.13Å; D1171-R1173 VanDerWaalsContact OD1-CG 3.27Å; D1171-R1173 WeakPolarHBondContact OD1-CG 3.42Å; D1171-R1173 PolarHBondContact OD1-N 2.69Å; R1173-E1177 PolarHBondContact O-N 2.98Å
1174	W	88.7	Confident	84.7	Confident	25 Å²	25	38.9 Å²	38.9	10%	0.095	20%	0.201	C	C	.	.	H	α-helix	trans	-74.7	-27.8	-178.3	-50.7	-13.3	0	0	0	113.4	V1103 Q1106 K1107 I1170 D1171 P1172 V1176 E1177 F1178	V1103-W1174 HydrophobicContact CG1-CH2 3.99Å; V1103-W1174 HydrophobicContact CG1-CZ2 3.74Å; Q1106-W1174 HydrophobicContact CB-CH2 4.13Å; Q1106-W1174 HydrophobicContact CB-CZ3 3.64Å; K1107-W1174 HydrophobicContact CD-CD2 4.5Å; K1107-W1174 HydrophobicContact CD-CG 4.43Å; K1107-W1174 VanDerWaalsContact CE-CD1 3.49Å; K1107-W1174 HydrophobicContact CG-CD2 3.71Å; K1107-W1174 HydrophobicContact CG-CE3 4.01Å; K1107-W1174 HydrophobicContact CG-CG 4.02Å; K1107-W1174 HydrophobicContact CG-CZ2 4.47Å; I1170-W1174 HydrophobicContact CB-CE3 4.2Å; I1170-W1174 HydrophobicContact CB-CZ3 4.31Å; I1170-W1174 HydrophobicContact CG2-CE3 4.35Å; I1170-W1174 HydrophobicContact CG2-CZ3 4.38Å; D1171-W1174 HydrophobicContact CB-CD2 3.96Å; D1171-W1174 HydrophobicContact CB-CE3 4.42Å; D1171-W1174 HydrophobicContact CB-CG 4.4Å; D1171-W1174 HydrophobicContact CB-CH2 4.24Å; D1171-W1174 HydrophobicContact CB-CZ2 3.74Å; D1171-W1174 PolarHBondContact O-N 2.97Å; D1171-W1174 VanDerWaalsContact O-N 3.17Å; D1171-W1174 PolarHBondContact OD2-NE1 3.01Å; P1172-W1174 PolarHBondContact O-N 3.17Å; W1174-V1176 VanDerWaalsContact C-N 3.31Å; W1174-V1176 PolarHBondContact O-N 3.26Å; W1174-E1177 PolarHBondContact O-N 2.97Å; W1174-F1178 HydrophobicContact CB-CD2 4.22Å; W1174-F1178 HydrophobicContact CB-CE2 4.26Å; W1174-F1178 WeakPolarHBondContact O-CD2 3.48Å; W1174-F1178 PolarHBondContact O-N 3.4Å
1175	L	84.8	Confident	84	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64	-40.7	177.9	-71.3	170.3	0	0	0	110.8	I441 F1114 A1117 L1129 W1150 I1170 P1172 S1179 F1183	I441-L1175 HydrophobicContact CD1-CB 4.05Å; I441-L1175 HydrophobicContact CD1-CD1 3.93Å; F1114-L1175 HydrophobicContact CB-CD2 3.95Å; A1117-L1175 HydrophobicContact CB-CD1 4.29Å; A1117-L1175 HydrophobicContact CB-CD2 4.15Å; L1129-L1175 HydrophobicContact CD1-CD1 4.04Å; W1150-L1175 HydrophobicContact CE3-CD1 4.23Å; W1150-L1175 HydrophobicContact CZ3-CD1 4.18Å; I1170-L1175 HydrophobicContact CD1-CD1 3.69Å; I1170-L1175 HydrophobicContact CD1-CD2 4.01Å; I1170-L1175 HydrophobicContact CD1-CG 3.78Å; P1172-L1175 WeakPolarHBondContact O-CB 3.39Å; P1172-L1175 PolarHBondContact O-N 3Å; L1175-S1179 PolarHBondContact O-N 3.2Å; L1175-S1179 VanDerWaalsContact O-N 3.09Å; L1175-F1183 HydrophobicContact CB-CD2 3.78Å; L1175-F1183 HydrophobicContact CB-CE2 4.07Å; L1175-F1183 HydrophobicContact CB-CG 4.39Å; L1175-F1183 HydrophobicContact CD2-CD2 4.4Å; L1175-F1183 HydrophobicContact CD2-CE2 3.86Å; L1175-F1183 HydrophobicContact CG-CE2 4.38Å
1176	V	83.8	Confident	83	Confident	32 Å²	32	39.7 Å²	39.7	19%	0.194	21%	0.212	C	C	.	.	H	α-helix	trans	-72.8	-40.2	175.8	-174.3	0	0	0	0	111.1	I441 W1174 F1178 P1180 F1183 V1185	I441-V1176 HydrophobicContact CD1-CG2 4.16Å; I441-V1176 HydrophobicContact CG1-CG2 4.27Å; I441-V1176 HydrophobicContact CG2-CG2 4.37Å; W1174-V1176 VanDerWaalsContact C-N 3.31Å; W1174-V1176 PolarHBondContact O-N 3.26Å; V1176-F1178 PolarHBondContact O-N 2.88Å; V1176-P1180 VanDerWaalsContact O-CD 3.29Å; V1176-P1180 WeakPolarHBondContact O-CD 3.5Å; V1176-F1183 HydrophobicContact CG2-CB 4.26Å; V1176-V1185 HydrophobicContact CG1-CG2 4.25Å; V1176-V1185 HydrophobicContact CG2-CG2 4Å
1177	E	83.8	Confident	81.9	Confident	106 Å²	106	41.1 Å²	41.1	50%	0.495	22%	0.221	S	C	.	.	H	α-helix	trans	-58.7	-42.7	176.7	-175.3	-174.5	178.3	0	0	112.8	K1107 R1173 W1174	K1107-E1177 IonicContact NZ-OE1 3.11Å; K1107-E1177 PolarHBondContact NZ-OE1 2.85Å; K1107-E1177 IonicContact NZ-OE2 2.68Å; K1107-E1177 PolarHBondContact NZ-OE2 3.07Å; R1173-E1177 PolarHBondContact O-N 2.98Å; W1174-E1177 PolarHBondContact O-N 2.97Å
1178	F	80.8	Confident	80.5	Confident	32 Å²	32	46.5 Å²	46.5	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-95.2	-11.1	-176.3	-67.9	-62.2	0	0	0	115.4	M997 L1001 K1107 W1174 V1176	M997-F1178 HydrophobicContact CG-CE1 4.49Å; M997-F1178 HydrophobicContact SD-CE1 4.46Å; L1001-F1178 HydrophobicContact CD1-CE1 4.5Å; L1001-F1178 HydrophobicContact CD1-CZ 4.19Å; K1107-F1178 HydrophobicContact CB-CE2 3.66Å; K1107-F1178 HydrophobicContact CB-CZ 3.83Å; K1107-F1178 HydrophobicContact CD-CE2 3.92Å; K1107-F1178 HydrophobicContact CD-CZ 3.95Å; K1107-F1178 HydrophobicContact CG-CE2 3.91Å; K1107-F1178 HydrophobicContact CG-CZ 4.27Å; K1107-F1178 WeakPolarHBondContact O-CE2 3.44Å; W1174-F1178 HydrophobicContact CB-CD2 4.22Å; W1174-F1178 HydrophobicContact CB-CE2 4.26Å; W1174-F1178 WeakPolarHBondContact O-CD2 3.48Å; W1174-F1178 PolarHBondContact O-N 3.4Å; V1176-F1178 PolarHBondContact O-N 2.88Å
1179	S	78.1	Confident	79.1	Confident	8 Å²	8	52 Å²	52	6%	0.056	29%	0.29	C	S	.	.			trans	-149.8	59.2	179.7	-149.9	0	0	0	0	113.7	F1114 L1175 A1181 F1182 F1183	F1114-S1179 WeakPolarHBondContact CD2-OG 3.48Å; F1114-S1179 VanDerWaalsContact CE2-OG 3.22Å; F1114-S1179 WeakPolarHBondContact CE2-OG 3.44Å; L1175-S1179 PolarHBondContact O-N 3.2Å; L1175-S1179 VanDerWaalsContact O-N 3.09Å; S1179-A1181 PolarHBondContact O-N 2.88Å; S1179-A1181 VanDerWaalsContact O-N 3.12Å; S1179-F1182 PolarHBondContact O-N 2.65Å; S1179-F1183 PolarHBondContact O-N 2.97Å
1180	P	76.3	Confident	77.7	Confident	90 Å²	90	59.8 Å²	59.8	58%	0.584	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-13.1	-178.9	29.5	-36.4	0	0	0	113.8	V1176 F1182 F1183	V1176-P1180 VanDerWaalsContact O-CD 3.29Å; V1176-P1180 WeakPolarHBondContact O-CD 3.5Å; P1180-F1182 VanDerWaalsContact C-N 3.33Å; P1180-F1183 WeakPolarHBondContact CA-O 3.35Å
1181	A	71.1	Confident	76.4	Confident	78 Å²	78	64.3 Å²	64.3	65%	0.645	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.6	172.8	0	0	0	0	0	113.5	S1179	S1179-A1181 PolarHBondContact O-N 2.88Å; S1179-A1181 VanDerWaalsContact O-N 3.12Å
1182	F	74.9	Confident	75.3	Confident	24 Å²	24	62.1 Å²	62.1	11%	0.105	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-32.6	-178.4	-169.2	-100.5	0	0	0	112.2	L443 V444 T965 F1114 I1130 S1179 P1180	L443-F1182 WeakPolarHBondContact CA-O 3.48Å; L443-F1182 HydrophobicContact CD2-CD1 3.94Å; L443-F1182 HydrophobicContact CD2-CE1 3.41Å; L443-F1182 VanDerWaalsContact CD2-CE1 3.41Å; L443-F1182 HydrophobicContact CD2-CZ 3.75Å; V444-F1182 PolarHBondContact N-O 3.08Å; T965-F1182 HydrophobicContact CG2-CD2 3.85Å; T965-F1182 HydrophobicContact CG2-CE2 4.36Å; F1114-F1182 HydrophobicContact CD2-CD1 4.03Å; F1114-F1182 HydrophobicContact CD2-CG 4.46Å; F1114-F1182 HydrophobicContact CE2-CB 4.22Å; F1114-F1182 HydrophobicContact CE2-CD1 4.04Å; F1114-F1182 HydrophobicContact CE2-CG 4.08Å; I1130-F1182 HydrophobicContact CD1-CE1 4.2Å; I1130-F1182 HydrophobicContact CD1-CZ 3.81Å; I1130-F1182 HydrophobicContact CG1-CE1 4.33Å; I1130-F1182 HydrophobicContact CG1-CZ 4.1Å; S1179-F1182 PolarHBondContact O-N 2.65Å; P1180-F1182 VanDerWaalsContact C-N 3.33Å
1183	F	81.1	Confident	74.7	Confident	3 Å²	3	66.6 Å²	66.6	1%	0.013	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.3	179.8	-69.8	-55.5	0	0	0	111.7	I441 L443 F1114 L1129 L1175 V1176 S1179 P1180	I441-F1183 HydrophobicContact CG2-CB 3.65Å; I441-F1183 HydrophobicContact CG2-CD1 3.48Å; I441-F1183 VanDerWaalsContact CG2-CD1 3.48Å; I441-F1183 HydrophobicContact CG2-CE1 4.38Å; I441-F1183 HydrophobicContact CG2-CG 3.83Å; L443-F1183 HydrophobicContact CD2-CD1 3.93Å; L443-F1183 HydrophobicContact CD2-CE1 3.56Å; L443-F1183 HydrophobicContact CD2-CZ 4.47Å; F1114-F1183 HydrophobicContact CB-CE2 4.07Å; F1114-F1183 HydrophobicContact CD2-CD2 4.44Å; F1114-F1183 AromaticContact CD2-CE2 3.96Å; F1114-F1183 HydrophobicContact CD2-CE2 3.96Å; F1114-F1183 WeakPolarHBondContact O-CE2 3.36Å; F1114-F1183 WeakPolarHBondContact O-CZ 3.4Å; L1129-F1183 HydrophobicContact CB-CE1 4.49Å; L1129-F1183 HydrophobicContact CD1-CE1 3.78Å; L1129-F1183 HydrophobicContact CD1-CZ 3.81Å; L1175-F1183 HydrophobicContact CB-CD2 3.78Å; L1175-F1183 HydrophobicContact CB-CE2 4.07Å; L1175-F1183 HydrophobicContact CB-CG 4.39Å; L1175-F1183 HydrophobicContact CD2-CD2 4.4Å; L1175-F1183 HydrophobicContact CD2-CE2 3.86Å; L1175-F1183 HydrophobicContact CG-CE2 4.38Å; V1176-F1183 HydrophobicContact CG2-CB 4.26Å; S1179-F1183 PolarHBondContact O-N 2.97Å; P1180-F1183 WeakPolarHBondContact CA-O 3.35Å
1184	K	78.8	Confident	73.8	Confident	121 Å²	121	65.8 Å²	65.8	53%	0.526	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.1	176	-170.1	-165.1	168.6	-168.8	0	109.5	I441 E442 V444 S1186	I441-K1184 CarbonylContact C-O 3.56Å; I441-K1184 WeakPolarHBondContact CA-O 3.19Å; E442-K1184 PolarHBondContact N-O 3.32Å; E442-K1184 PolarHBondContact O-N 2.83Å; V444-K1184 HydrophobicContact CG2-CB 4.12Å; K1184-S1186 PolarHBondContact O-N 3.01Å
1185	V	75.6	Confident	73	Confident	64 Å²	64	68.7 Å²	68.7	39%	0.388	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	129.6	167.2	-177.6	0	0	0	0	108.8	L439 V1176	L439-V1185 HydrophobicContact CD2-CG1 3.89Å; L439-V1185 HydrophobicContact CD2-CG2 4.32Å; V1176-V1185 HydrophobicContact CG1-CG2 4.25Å; V1176-V1185 HydrophobicContact CG2-CG2 4Å
1186	S	67.3	Low	72.5	Confident	11 Å²	11	75.6 Å²	75.6	8%	0.077	39%	0.39	C	S	.	.			trans	-63.4	142.9	173.8	65.9	0	0	0	0	110.4	E440 K1184 P1188	E440-S1186 WeakPolarHBondContact CB-OG 3.49Å; E440-S1186 PolarHBondContact O-N 2.86Å; E440-S1186 PolarHBondContact O-OG 3.22Å; E440-S1186 VanDerWaalsContact O-OG 3.12Å; K1184-S1186 PolarHBondContact O-N 3.01Å; S1186-P1188 WeakPolarHBondContact O-CD 3.13Å
1187	D	67	Low	72.1	Confident	66 Å²	66	81 Å²	81	35%	0.353	41%	0.413	S	S	.	.			trans	-70.9	115.6	173.3	179.5	-17.4	0	0	0	109.5	T1189 R1190	D1187-T1189 VanDerWaalsContact CG-OG1 3.26Å; D1187-T1189 PolarHBondContact O-N 3.31Å; D1187-T1189 WeakPolarHBondContact OD1-CB 3.36Å; D1187-T1189 PolarHBondContact OD1-N 2.7Å; D1187-T1189 PolarHBondContact OD1-OG1 3.25Å; D1187-T1189 PolarHBondContact OD2-OG1 2.93Å; D1187-R1190 HydrophobicContact CB-CB 4.32Å; D1187-R1190 PolarHBondContact O-N 2.94Å
1188	P	63.8	Low	71.8	Confident	112 Å²	112	81.8 Å²	81.8	73%	0.727	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-16	-175.7	26.5	-34.8	0	0	0	113	S1186 R1190	S1186-P1188 WeakPolarHBondContact O-CD 3.13Å; P1188-R1190 VanDerWaalsContact C-N 3.31Å
1189	T	63.3	Low	71.6	Confident	117 Å²	117	89.8 Å²	89.8	72%	0.718	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.3	173.9	74.2	0	0	0	0	113.5	D1187	D1187-T1189 VanDerWaalsContact CG-OG1 3.26Å; D1187-T1189 PolarHBondContact O-N 3.31Å; D1187-T1189 WeakPolarHBondContact OD1-CB 3.36Å; D1187-T1189 PolarHBondContact OD1-N 2.7Å; D1187-T1189 PolarHBondContact OD1-OG1 3.25Å; D1187-T1189 PolarHBondContact OD2-OG1 2.93Å
1190	R	63	Low	71.7	Confident	187 Å²	187	97.4 Å²	97.4	71%	0.706	49%	0.485	S	S	*	.	S	Bend	trans	-131.4	108.7	-171.7	-76.3	179.4	157.7	-169.1	-4.9	112.4	D1187 P1188 S1192	D1187-R1190 HydrophobicContact CB-CB 4.32Å; D1187-R1190 PolarHBondContact O-N 2.94Å; P1188-R1190 VanDerWaalsContact C-N 3.31Å; R1190-S1192 PolarHBondContact O-N 2.9Å; R1190-S1192 VanDerWaalsContact O-N 3.14Å
1191	L	62.4	Low	71.8	Confident	111 Å²	111	98.6 Å²	98.6	58%	0.581	48%	0.483	S	S	*	.			trans	-46.1	118.9	169.8	-86.4	163.4	0	0	0	112.3	K1195 K1196	L1191-K1195 HydrophobicContact CD2-CB 3.78Å; L1191-K1195 HydrophobicContact CD2-CD 4.22Å; L1191-K1196 HydrophobicContact CB-CD 4.4Å; L1191-K1196 HydrophobicContact CB-CG 4.14Å; L1191-K1196 VanDerWaalsContact O-CE 3.26Å; L1191-K1196 WeakPolarHBondContact O-CE 3.41Å; L1191-K1196 PolarHBondContact O-NZ 2.94Å
1192	S	66.8	Low	72.3	Confident	2 Å²	2	98.3 Å²	98.3	1%	0.014	47%	0.474	C	S	.	.			trans	-58.4	161.1	178.9	68.9	0	0	0	0	112.6	E440 E442 R1190 Q1194 K1195 K1196	E440-S1192 VanDerWaalsContact OE1-CB 3.23Å; E440-S1192 WeakPolarHBondContact OE1-CB 3.42Å; E440-S1192 PolarHBondContact OE1-OG 3.03Å; E442-S1192 WeakPolarHBondContact OE1-CA 3.32Å; E442-S1192 WeakPolarHBondContact OE1-CB 3.2Å; R1190-S1192 PolarHBondContact O-N 2.9Å; R1190-S1192 VanDerWaalsContact O-N 3.14Å; S1192-Q1194 PolarHBondContact O-N 3.36Å; S1192-K1195 PolarHBondContact O-N 3.25Å; S1192-K1195 WeakPolarHBondContact OG-CB 3.07Å; S1192-K1195 WeakPolarHBondContact OG-CG 3.43Å; S1192-K1195 PolarHBondContact OG-N 3.09Å; S1192-K1196 WeakPolarHBondContact O-CG 3.18Å; S1192-K1196 PolarHBondContact O-N 3.2Å; S1192-K1196 VanDerWaalsContact O-N 3.16Å
1193	K	70.6	Confident	72.6	Confident	115 Å²	115	105.2 Å²	105.2	50%	0.5	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-36.3	173.3	-65.1	-173.4	-168.4	178.4	0	111.5	E445 Q1197	E445-K1193 IonicContact OE1-NZ 3.26Å; E445-K1193 PolarHBondContact OE1-NZ 2.84Å; E445-K1193 IonicContact OE2-NZ 2.86Å; E445-K1193 PolarHBondContact OE2-NZ 3.05Å; K1193-Q1197 WeakPolarHBondContact O-CG 3.31Å; K1193-Q1197 PolarHBondContact O-N 2.75Å
1194	Q	67.8	Low	72.6	Confident	77 Å²	77	113.7 Å²	113.7	36%	0.36	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-49.7	-177.2	-160.6	-177.6	27.4	0	0	111.5	Q1132 S1192 K1196 Q1197 Q1198	Q1132-Q1194 VanDerWaalsContact CD-NE2 3.28Å; S1192-Q1194 PolarHBondContact O-N 3.36Å; Q1194-K1196 PolarHBondContact O-N 3.33Å; Q1194-Q1197 PolarHBondContact O-N 2.84Å; Q1194-Q1198 PolarHBondContact O-N 3.29Å
1195	K	71.3	Confident	72.9	Confident	86 Å²	86	110.9 Å²	110.9	37%	0.374	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-31.8	175.5	-76.3	176	175.2	165.6	0	112.6	E440 L1191 S1192 Q1197	E440-K1195 IonicContact OE1-NZ 3.19Å; E440-K1195 WeakPolarHBondContact OE2-CD 3.46Å; E440-K1195 WeakPolarHBondContact OE2-CE 3.27Å; E440-K1195 IonicContact OE2-NZ 2.73Å; E440-K1195 PolarHBondContact OE2-NZ 3.42Å; L1191-K1195 HydrophobicContact CD2-CB 3.78Å; L1191-K1195 HydrophobicContact CD2-CD 4.22Å; S1192-K1195 PolarHBondContact O-N 3.25Å; S1192-K1195 WeakPolarHBondContact OG-CB 3.07Å; S1192-K1195 WeakPolarHBondContact OG-CG 3.43Å; S1192-K1195 PolarHBondContact OG-N 3.09Å; K1195-Q1197 VanDerWaalsContact C-N 3.32Å; K1195-Q1197 PolarHBondContact O-N 3.41Å
1196	K	76	Confident	73.2	Confident	145 Å²	145	117.9 Å²	117.9	63%	0.63	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-20.2	172.9	-77.2	167.1	174.3	147.4	0	114.9	L1191 S1192 Q1194	L1191-K1196 HydrophobicContact CB-CD 4.4Å; L1191-K1196 HydrophobicContact CB-CG 4.14Å; L1191-K1196 VanDerWaalsContact O-CE 3.26Å; L1191-K1196 WeakPolarHBondContact O-CE 3.41Å; L1191-K1196 PolarHBondContact O-NZ 2.94Å; S1192-K1196 WeakPolarHBondContact O-CG 3.18Å; S1192-K1196 PolarHBondContact O-N 3.2Å; S1192-K1196 VanDerWaalsContact O-N 3.16Å; Q1194-K1196 PolarHBondContact O-N 3.33Å
1197	Q	75	Confident	73.9	Confident	147 Å²	147	127.6 Å²	127.6	69%	0.687	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-19.9	179.1	-69.9	177.1	17.8	0	0	113	K1193 Q1194 K1195	K1193-Q1197 WeakPolarHBondContact O-CG 3.31Å; K1193-Q1197 PolarHBondContact O-N 2.75Å; Q1194-Q1197 PolarHBondContact O-N 2.84Å; K1195-Q1197 VanDerWaalsContact C-N 3.32Å; K1195-Q1197 PolarHBondContact O-N 3.41Å
1198	Q	76.3	Confident	74.6	Confident	121 Å²	121	129.8 Å²	129.8	57%	0.565	60%	0.6	S	S	*	*			trans	-58.7	141.1	173.9	-74.7	173.2	1.5	0	0	111.3	Q1194	Q1194-Q1198 PolarHBondContact O-N 3.29Å
1199	R	77.3	Confident	75.1	Confident	201 Å²	201	128.9 Å²	128.9	76%	0.758	59%	0.586	S	S	*	*			trans	-126.1	125.4	179.9	-56.9	-178.2	72.8	171.6	7.3	108.6
1200	L	79.9	Confident	75.7	Confident	167 Å²	167	127.4 Å²	127.4	87%	0.874	58%	0.578	S	S	*	*			trans	-85.2	131	174.3	-58.9	176.4	0	0	0	109.3
1201	E	78.3	Confident	76.5	Confident	115 Å²	115	120.6 Å²	120.6	54%	0.537	56%	0.556	S	S	.	*			trans	-113.2	147	167.1	-56.7	-146.1	152	0	0	108.9	R1214	E1201-R1214 IonicContact OE1-CZ 2.68Å; E1201-R1214 IonicContact OE1-NH2 2.73Å; E1201-R1214 PolarHBondContact OE1-NH2 3.2Å; E1201-R1214 IonicContact OE2-NH2 2.7Å
1202	P	82.1	Confident	77.2	Confident	72 Å²	72	116.4 Å²	116.4	47%	0.468	54%	0.537	S	S	.	.			trans	-68.2	159.4	178.2	29.7	-35.1	0	0	0	111.4	Y1204 W1213	P1202-Y1204 PolarHBondContact O-N 2.87Å; P1202-W1213 HydrophobicContact CG-CD2 3.97Å; P1202-W1213 VanDerWaalsContact CG-CE2 3.49Å; P1202-W1213 HydrophobicContact CG-CG 4.19Å; P1202-W1213 HydrophobicContact CG-CZ2 3.87Å
1203	L	81.1	Confident	77.8	Confident	170 Å²	170	122.3 Å²	122.3	89%	0.89	56%	0.559	S	S	*	*			trans	-53.5	138.5	177.9	-64.8	174	0	0	0	111.7	N1205	L1203-N1205 PolarHBondContact O-N 2.85Å; L1203-N1205 VanDerWaalsContact O-N 3.14Å
1204	Y	81.7	Confident	78.4	Confident	180 Å²	180	119.8 Å²	119.8	71%	0.706	55%	0.547	S	S	*	.			trans	-64.2	113.9	-177.6	175.5	-99	0	0	0	111.8	P1202 R1206	P1202-Y1204 PolarHBondContact O-N 2.87Å; Y1204-R1206 HydrophobicContact CE1-CB 4.13Å
1205	N	83.9	Confident	79.1	Confident	63 Å²	63	122.9 Å²	122.9	34%	0.337	56%	0.564	S	S	.	*			trans	-97.7	115.2	173.4	-178.2	3.7	0	0	0	110.1	L1203 Y1207 E1208	L1203-N1205 PolarHBondContact O-N 2.85Å; L1203-N1205 VanDerWaalsContact O-N 3.14Å; N1205-Y1207 PolarHBondContact O-N 3.41Å; N1205-Y1207 WeakPolarHBondContact OD1-CD2 3.38Å; N1205-Y1207 PolarHBondContact OD1-N 3.18Å; N1205-Y1207 VanDerWaalsContact OD1-N 3.07Å; N1205-E1208 HydrophobicContact CB-CB 4.43Å; N1205-E1208 VanDerWaalsContact ND2-CD 3.3Å; N1205-E1208 WeakPolarHBondContact ND2-CG 3.23Å; N1205-E1208 PolarHBondContact ND2-OE2 3.42Å; N1205-E1208 PolarHBondContact O-N 3.25Å
1206	R	83	Confident	79.7	Confident	210 Å²	210	122.9 Å²	122.9	79%	0.792	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-22.3	179.3	-175	175.8	177.9	-176.9	0.6	113.6	Y1204	Y1204-R1206 HydrophobicContact CE1-CB 4.13Å
1207	Y	82.1	Confident	79.7	Confident	216 Å²	216	120 Å²	120	85%	0.847	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-6.8	-176.1	-59.1	-77.3	0	0	0	114	N1205	N1205-Y1207 PolarHBondContact O-N 3.41Å; N1205-Y1207 WeakPolarHBondContact OD1-CD2 3.38Å; N1205-Y1207 PolarHBondContact OD1-N 3.18Å; N1205-Y1207 VanDerWaalsContact OD1-N 3.07Å
1208	E	80.3	Confident	79.5	Confident	112 Å²	112	115.2 Å²	115.2	52%	0.523	55%	0.545	S	S	.	.	S	Bend	trans	-120.4	144.3	-180	-71.3	178.7	138.5	0	0	111.2	N1205	N1205-E1208 HydrophobicContact CB-CB 4.43Å; N1205-E1208 VanDerWaalsContact ND2-CD 3.3Å; N1205-E1208 WeakPolarHBondContact ND2-CG 3.23Å; N1205-E1208 PolarHBondContact ND2-OE2 3.42Å; N1205-E1208 PolarHBondContact O-N 3.25Å
1209	E	75.6	Confident	79.1	Confident	93 Å²	93	117.2 Å²	117.2	44%	0.435	55%	0.553	S	S	.	*			trans	-62.1	135.9	172.3	-85.5	164.4	-120.3	0	0	110.8	N1211 A1212 R1217 R1221	E1209-N1211 PolarHBondContact O-N 3.37Å; E1209-N1211 VanDerWaalsContact O-N 3.15Å; E1209-A1212 HydrophobicContact CB-CB 4.08Å; E1209-A1212 WeakPolarHBondContact O-CB 3.22Å; E1209-A1212 PolarHBondContact O-N 2.87Å; E1209-R1217 IonicContact OE2-CZ 2.66Å; E1209-R1217 IonicContact OE2-NH2 3.27Å; E1209-R1217 PolarHBondContact OE2-NH2 3.46Å; E1209-R1221 IonicContact OE1-CZ 3.77Å; E1209-R1221 IonicContact OE1-NH1 3.12Å; E1209-R1221 IonicContact OE1-NH2 3.03Å; E1209-R1221 PolarHBondContact OE1-NH2 3.27Å; E1209-R1221 IonicContact OE2-CZ 2.95Å; E1209-R1221 IonicContact OE2-NH2 3.65Å; E1209-R1221 PolarHBondContact OE2-NH2 3.09Å
1210	P	75.8	Confident	78.5	Confident	85 Å²	85	118.3 Å²	118.3	55%	0.552	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.4	125.3	173.9	-29.1	35.6	0	0	0	111.2	A1212 R1217	P1210-A1212 VanDerWaalsContact C-N 3.34Å; P1210-A1212 PolarHBondContact O-N 2.93Å; P1210-R1217 PolarHBondContact O-NH1 3.4Å
1211	N	79	Confident	77.5	Confident	45 Å²	45	117.9 Å²	117.9	24%	0.241	54%	0.543	C	S	.	.	T	Hydrogen-bonded Turn	trans	69	14.2	-177	-58.5	-53.5	0	0	0	117	E1209 W1213 R1214 R1217	E1209-N1211 PolarHBondContact O-N 3.37Å; E1209-N1211 VanDerWaalsContact O-N 3.15Å; N1211-W1213 VanDerWaalsContact C-N 3.26Å; N1211-W1213 PolarHBondContact O-N 2.95Å; N1211-R1214 HydrophobicContact CB-CG 4.16Å; N1211-R1214 VanDerWaalsContact CG-NE 3.31Å; N1211-R1214 PolarHBondContact O-N 3.23Å; N1211-R1214 PolarHBondContact OD1-NE 2.84Å; N1211-R1214 PolarHBondContact OD1-NH2 2.88Å; N1211-R1217 WeakPolarHBondContact O-CD 3.17Å
1212	A	77.2	Confident	76.4	Confident	23 Å²	23	125.2 Å²	125.2	19%	0.19	57%	0.566	C	S	.	*	T	Hydrogen-bonded Turn	trans	-61.3	-33.6	169.6	0	0	0	0	0	113.1	E1209 P1210 R1214	E1209-A1212 HydrophobicContact CB-CB 4.08Å; E1209-A1212 WeakPolarHBondContact O-CB 3.22Å; E1209-A1212 PolarHBondContact O-N 2.87Å; P1210-A1212 VanDerWaalsContact C-N 3.34Å; P1210-A1212 PolarHBondContact O-N 2.93Å; A1212-R1214 PolarHBondContact O-N 2.58Å
1213	W	79.3	Confident	76.1	Confident	125 Å²	125	127.9 Å²	127.9	47%	0.473	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.9	-16.8	175.7	62.4	-98.3	0	0	0	114.4	P1202 N1211 I1215	P1202-W1213 HydrophobicContact CG-CD2 3.97Å; P1202-W1213 VanDerWaalsContact CG-CE2 3.49Å; P1202-W1213 HydrophobicContact CG-CG 4.19Å; P1202-W1213 HydrophobicContact CG-CZ2 3.87Å; N1211-W1213 VanDerWaalsContact C-N 3.26Å; N1211-W1213 PolarHBondContact O-N 2.95Å; W1213-I1215 PolarHBondContact O-N 2.85Å
1214	R	83.2	Confident	75.9	Confident	63 Å²	63	125.7 Å²	125.7	24%	0.238	55%	0.554	C	S	.	*			trans	-72.5	124	-179	-62.9	-168.1	-169.3	-158.9	2	110.1	E1201 N1211 A1212 S1216 R1217 A1218	E1201-R1214 IonicContact OE1-CZ 2.68Å; E1201-R1214 IonicContact OE1-NH2 2.73Å; E1201-R1214 PolarHBondContact OE1-NH2 3.2Å; E1201-R1214 IonicContact OE2-NH2 2.7Å; N1211-R1214 HydrophobicContact CB-CG 4.16Å; N1211-R1214 VanDerWaalsContact CG-NE 3.31Å; N1211-R1214 PolarHBondContact O-N 3.23Å; N1211-R1214 PolarHBondContact OD1-NE 2.84Å; N1211-R1214 PolarHBondContact OD1-NH2 2.88Å; A1212-R1214 PolarHBondContact O-N 2.58Å; R1214-S1216 PolarHBondContact O-N 2.95Å; R1214-S1216 VanDerWaalsContact O-N 3.09Å; R1214-R1217 WeakPolarHBondContact O-CA 3.16Å; R1214-R1217 PolarHBondContact O-N 3.25Å; R1214-A1218 PolarHBondContact O-N 2.86Å
1215	I	83.2	Confident	75.6	Confident	141 Å²	141	122.7 Å²	122.7	72%	0.723	55%	0.546	S	S	*	.	H	α-helix	trans	-51.6	-37.9	179	-59.6	172.7	0	0	0	111.6	W1213 R1217 A1218 F1219	W1213-I1215 PolarHBondContact O-N 2.85Å; I1215-R1217 VanDerWaalsContact C-N 3.28Å; I1215-R1217 PolarHBondContact O-N 2.92Å; I1215-A1218 PolarHBondContact O-N 3.11Å; I1215-F1219 WeakPolarHBondContact O-CB 3.26Å; I1215-F1219 PolarHBondContact O-N 2.82Å
1216	S	83.6	Confident	75.1	Confident	87 Å²	87	126.2 Å²	126.2	61%	0.608	56%	0.558	S	S	*	*	H	α-helix	trans	-65.8	-21.1	176.7	55.3	0	0	0	0	115.2	R1214	R1214-S1216 PolarHBondContact O-N 2.95Å; R1214-S1216 VanDerWaalsContact O-N 3.09Å
1217	R	75.3	Confident	74.6	Confident	85 Å²	85	120.9 Å²	120.9	32%	0.321	54%	0.544	S	S	.	.	H	α-helix	trans	-92	-34	171.2	-173.5	170.7	177.1	169.7	-6.4	111.6	E1209 P1210 N1211 R1214 I1215 F1219 R1220 R1221	E1209-R1217 IonicContact OE2-CZ 2.66Å; E1209-R1217 IonicContact OE2-NH2 3.27Å; E1209-R1217 PolarHBondContact OE2-NH2 3.46Å; P1210-R1217 PolarHBondContact O-NH1 3.4Å; N1211-R1217 WeakPolarHBondContact O-CD 3.17Å; R1214-R1217 WeakPolarHBondContact O-CA 3.16Å; R1214-R1217 PolarHBondContact O-N 3.25Å; I1215-R1217 VanDerWaalsContact C-N 3.28Å; I1215-R1217 PolarHBondContact O-N 2.92Å; R1217-F1219 VanDerWaalsContact C-N 3.29Å; R1217-F1219 PolarHBondContact O-N 2.72Å; R1217-R1220 CarbonylContact O-C 3.55Å; R1217-R1220 PolarHBondContact O-N 2.91Å; R1217-R1221 PolarHBondContact O-N 3.26Å; R1217-R1221 VanDerWaalsContact O-N 3.15Å
1218	A	71.3	Confident	74.1	Confident	45 Å²	45	114.6 Å²	114.6	37%	0.372	52%	0.523	S	S	.	.	H	α-helix	trans	-59.8	-39.6	169.9	0	0	0	0	0	111.8	R1214 I1215 R1220 R1221 R1222	R1214-A1218 PolarHBondContact O-N 2.86Å; I1215-A1218 PolarHBondContact O-N 3.11Å; A1218-R1220 PolarHBondContact O-N 2.84Å; A1218-R1221 PolarHBondContact O-N 3.16Å; A1218-R1221 VanDerWaalsContact O-N 3.13Å; A1218-R1222 PolarHBondContact O-N 2.94Å
1219	F	68.2	Low	73.6	Confident	164 Å²	164	114.8 Å²	114.8	72%	0.719	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-6.4	174.3	-138.6	-79.6	0	0	0	114.2	I1215 R1217	I1215-F1219 WeakPolarHBondContact O-CB 3.26Å; I1215-F1219 PolarHBondContact O-N 2.82Å; R1217-F1219 VanDerWaalsContact C-N 3.29Å; R1217-F1219 PolarHBondContact O-N 2.72Å
1220	R	64	Low	73.5	Confident	224 Å²	224	116.5 Å²	116.5	85%	0.845	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	0.1	169.2	-71	-178.7	175.6	-170	-1.3	113	R1217 A1218	R1217-R1220 CarbonylContact O-C 3.55Å; R1217-R1220 PolarHBondContact O-N 2.91Å; A1218-R1220 PolarHBondContact O-N 2.84Å
1221	R	59.9	Low	73.3	Confident	157 Å²	157	119.1 Å²	119.1	59%	0.592	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-9.9	173.8	-82.9	-173.4	160.4	-167.4	-8.9	112.7	E1209 R1217 A1218	E1209-R1221 IonicContact OE1-CZ 3.77Å; E1209-R1221 IonicContact OE1-NH1 3.12Å; E1209-R1221 IonicContact OE1-NH2 3.03Å; E1209-R1221 PolarHBondContact OE1-NH2 3.27Å; E1209-R1221 IonicContact OE2-CZ 2.95Å; E1209-R1221 IonicContact OE2-NH2 3.65Å; E1209-R1221 PolarHBondContact OE2-NH2 3.09Å; R1217-R1221 PolarHBondContact O-N 3.26Å; R1217-R1221 VanDerWaalsContact O-N 3.15Å; A1218-R1221 PolarHBondContact O-N 3.16Å; A1218-R1221 VanDerWaalsContact O-N 3.13Å
1222	R	55.3	Low	72.8	Confident	270 Å²	270	125.8 Å²	125.8	100%	1.019	56%	0.555	S	S	*	*			trans	-97.1	0	162	-69.1	-177.5	174.3	-174.1	-2.3	108.6	A1218	A1218-R1222 PolarHBondContact O-N 2.94Å

Retrieved 1,222 of 1,222 residues in 3160.6 ms (Link to these results)

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