A0A3Q0KGB6_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KGB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,391 aa.

						>A0A3Q0KGB6_SCHMA|A0A3Q0KGB6
MANNEAENGGLQKRRHPAQLFRQMGQDEVAFPQTSCSEREECNLKVPVSTNHSHLTTKPDSHAPSDVQTVTESIDKPISHSPVAAVKPHYGNHPHFPPPQDSRASSSTGSATTGGTSVDSKSSGGKNGSSGSDKSRLACSSAFNKGTICGSSASSSTEETEAREKRFGSVDLHPLPSVALTAIMNQAIRRSLYAESSVQNAEQLQYATLLAAHKNYGDSSVPNDVKMNTTPVPTPKNDFVNLLSRTPAHANINSVPPSVHSTSIKTDLSNFSQNLPLQIIPHNLWPRLICPIHGDNLLAQFSQTLCKRKNDISETDSEQQMSNFPVLSTKNEQSLMNITSSSTLEESKQDYNNNHSSKQAINATITAPVPGTSVYGMPTIGYSNNVSESNNNNTVQPNGPQRIGPYYLGPTLGRGNFAVVKLGKHSQLSVKVAIKIMNKDLIGSKNLGKVSRELEAMKRCQHPHIIRLYHVMETESNIFMVTEYASKGEVFDHISLSHAFTEKEARELFWQIVCAIEFCHASGIVHRDLKAENLLLDADFKIKVADFGFCNFFQNDQLLSTHCGSPQYAAPELFKGEPYDGTLADVWSLGVILYILVCGSFPFPGESLGDIRTQVLRGLVRFPFYLSTSCEQVIRCMLQVDPIRRYKLRQVTTTAWMQESPNVEHYKSLMNKYQKQAKERQFEVLFRHQHPEHSKIAKEEVLERVERKLDIGVVKALSREAGLDEEQIRQSTIQRKYDRYHAAYELLKEKIKIFYHNPILRNFVNDEAKKQAGKFSKLTTTQRPAWQPTSDVLGGCDMSEEQVNTNVLSITTSTTQPTAMLSALDETMLEEQTPPSDIIMSSDSSDVSDVMMKDTSLSCSSVHTTTSTTMSTVFITSSNLEKTENSCTYNKQNTTDSTTKEDFSESSLREWKCATQPKNTELNAAICILKADEDEILSNFGIDPGSINKSFSNSIRRHTLQFTTSLFRKPSNQRDNPDNILTNNDDNDDVNNHQSDTSFTTINSMSIKNSNAKAKQSHELTDVNNNNKSSSPDDNNCSNSKTNGNSVKRTTVRRFPRQITQPHSNRLQYSQTSPDNSDQMLLTRLDWLPNTWETTQSSYQKSHLLQSSRPYLNKINKQNEQTLTSLELGQEAATTKLPSMKRDTNTIEATTGDDEEEGEQDDVSILIDQENILSEEISQSIQLTEDIPSVADCNVTVMDKPNMVSGRSDMFLLKAECLNAVECPYESTSKSQLIPSQYTNPQTPLCDPLQLDRIPEQISIDMNTETNEKVNNTTHVSIEKPTLLEDPCWSTVRISGGVDEDEDDNSCDPTVGVLRTLLPQLNLPANLPAMIHQPVACFTVKDPNLLAPPEFMTPYSSSFPRRSSDGAADLQPLHRPVITVGGSYPEQANYRKEDSGAGSENSSLAVINTVHNPKPSPIEGTTTSVKNSDWVQTSRPKHDDSENSKPLSSSSSVQPQQSCQQQQLPESRSRSLAAQQRSLFSALHSQRRRLPLGLWWKLTHKKFNQTGENLKSELWDRQFIRHQKRFSLPVNCGPVRQQSGTVKTELQCRCHQPLTSELLQEIQQKLHDTSWIQKLPSLQTSNVQCITSENKFNIEEIPEIYRRGSEASQMSAWEQRLRQYNDLYDPGAPAQVTSSFHQAVAEIEADEDKEEEKLGSNYPFFTFQYTDDTSVSNTGLITTKCRDGSSNNETIDTVTATTNTNTPQFVQYKTQQYLSSSVIDDNSLNSISNEKYDSHISASSVSPISQSGIELTDLKTELHNLEAERSGVHSSFTGGTFLSSVESSRSVDDNKIHKSNESTHLPEFILSSETSNIPSFLSDCAINMQQSALPIKYTLIPNEQSPSTSSYTHWSSSDFDNKTHRRASSVIDNPVTLNYLIPPNRDICEISKENIRRHRHSVSEMVEDKKDFKFNYEFCSSAGSDVFNVSSEFHQPTINVDLSPNLESTEAQLHDEMSIKPLSSFPMVTTPTNVNMNNTGIGQRLFERLHPERPNYLHILQHSGGSSDRRLSPDFLRSPRKKIYQEWLPKLTELSHKAFDVARNKMNKVRATTNSQSLVYNLIHSDILHPSTQCYTSNKANSMHKDKRNSECCLNDIINKSQIGQNSTTAGGISHEKDEKVNPVDVDPDPELDPDIDEEEDDEKDCALAPLQTHIINANNPSTHHSSRPRHRIMNQGIGQNLTYPQQVMPFFHGNLLNPTMIQQQNQNTLISQLPTGTAGINSYRLQDLVDFSNPQALPAAAAAASLLLFRSSDDDEDLAAIDRVNQRLALSRLTGNFTDTNQLINDYPNLLGPTLPHQTLTPQPQSLLPPTIQPIRSLPITQSTIQTQFSHSTTMNETLLNRQNNILHHDPHNYSQSSTISTNPQSITDIDDIHAPIKSQASGSYETASKYNQK
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.4	Very low	33.1	Very low	241 Å²	241	133 Å²	133	100%	1.187	80%	0.797	S	S	*	*				0	106.9	0	-63.9	172.2	-179.9	0	0	105.4
2	A	34.6	Very low	33.2	Very low	86 Å²	86	134.1 Å²	134.1	71%	0.711	79%	0.787	S	S	*	*				79.5	132.4	60.7	0	0	0	0	0	112.4
3	N	36	Very low	32.7	Very low	137 Å²	137	136.7 Å²	136.7	73%	0.733	78%	0.783	S	S	*	*			cis	-162.3	166.5	-6.8	-116.5	17.7	0	0	0	110.3
4	N	33.9	Very low	32.1	Very low	110 Å²	110	142.3 Å²	142.3	59%	0.588	79%	0.785	S	S	*	*				16.3	152.2	129	-56.7	37.9	0	0	0	119.7
5	E	32.6	Very low	31.5	Very low	165 Å²	165	148 Å²	148	77%	0.771	79%	0.79	S	S	*	*			cis	-172.4	174.7	-4.4	-110.5	158.5	169.6	0	0	110.1
6	A	33.6	Very low	31.7	Very low	86 Å²	86	150.3 Å²	150.3	71%	0.711	79%	0.794	S	S	*	*			trans	67.8	108	146.6	0	0	0	0	0	124.2
7	E	33.2	Very low	31.6	Very low	168 Å²	168	148.3 Å²	148.3	79%	0.785	79%	0.792	S	S	*	*				83	119	114.5	-68	-164.2	-172.8	0	0	126.4
8	N	31.4	Very low	31.3	Very low	146 Å²	146	144.8 Å²	144.8	78%	0.781	79%	0.787	S	S	*	*				71.4	131	125	-63	-28.5	0	0	0	124.2
9	G	31.9	Very low	31.1	Very low	79 Å²	79	145.8 Å²	145.8	81%	0.814	79%	0.786	S	S	*	*			trans	140	105	148	0	0	0	0	0	116.7
10	G	38.7	Very low	30.8	Very low	79 Å²	79	144.7 Å²	144.7	81%	0.814	78%	0.779	S	S	*	*			trans	-65.8	-176.8	-171.4	0	0	0	0	0	119.6
11	L	29.1	Very low	30.6	Very low	166 Å²	166	142.5 Å²	142.5	87%	0.869	76%	0.762	S	S	*	*	S	Bend	trans	72.7	133.6	179.3	-109.4	167.6	0	0	0	117.6
12	Q	34.6	Very low	30.4	Very low	146 Å²	146	135 Å²	135	68%	0.682	72%	0.721	S	S	*	*	S	Bend	trans	64.8	152.4	171.5	-59.6	-164.3	4.6	0	0	119.7
13	K	26.5	Very low	30.1	Very low	168 Å²	168	134.7 Å²	134.7	73%	0.73	71%	0.705	S	S	*	*			trans	61.8	102.5	156.7	-70.8	157.8	-177.1	151.5	0	119.4
14	R	23.6	Very low	29.5	Very low	215 Å²	215	133 Å²	133	81%	0.811	69%	0.694	S	S	*	*			trans	76.4	112.5	140.1	-60.2	176	174	-174.5	-2	116.2
15	R	24.2	Very low	29.4	Very low	228 Å²	228	130.6 Å²	130.6	86%	0.86	70%	0.695	S	S	*	*				96.1	132.4	82.1	-82.1	-179.3	178.5	-171.4	-1.7	112.5
16	H	33.5	Very low	29.3	Very low	184 Å²	184	128.8 Å²	128.8	85%	0.852	69%	0.687	S	S	*	*			trans	-58.6	174.5	160.8	-51.8	-91.3	0	0	0	112.3
17	P	30.8	Very low	29.2	Very low	117 Å²	117	128.6 Å²	128.6	76%	0.76	67%	0.674	S	S	*	*			cis	-143.5	171.4	7.7	42.7	-23.4	0	0	0	119
18	A	25.3	Very low	29.2	Very low	86 Å²	86	127 Å²	127	71%	0.711	67%	0.666	S	S	*	*			trans	50.9	113.4	138.1	0	0	0	0	0	126.2
19	Q	28.7	Very low	28.9	Very low	164 Å²	164	126.4 Å²	126.4	77%	0.766	67%	0.667	S	S	*	*				75	158	120.7	-69.1	-165.7	-3.9	0	0	125.7
20	L	24.6	Very low	28.6	Very low	122 Å²	122	126 Å²	126	64%	0.639	66%	0.656	S	S	*	*			trans	92.6	138.5	164.3	-45.7	-171	0	0	0	117.2
21	F	25.7	Very low	28.6	Very low	99 Å²	99	131.6 Å²	131.6	43%	0.434	66%	0.659	S	S	.	*			cis	-167.1	144.3	-6.4	-113	-23.1	0	0	0	114.5
22	R	26.6	Very low	28.8	Very low	84 Å²	84	129 Å²	129	32%	0.317	65%	0.652	S	S	.	*			trans	56.8	161.1	138.7	-71.3	160.4	-165.1	-172.2	2.5	122.6	H54 L55 T56 T57	R22-H54 WeakPolarHBondContact CG-O 3.37Å; R22-H54 PolarHBondContact N-CE1 3.35Å; R22-H54 VanDerWaalsContact N-CE1 3.3Å; R22-H54 PolarHBondContact N-ND1 2.83Å; R22-H54 PolarHBondContact N-NE2 2.56Å; R22-L55 VanDerWaalsContact CD-O 3.31Å; R22-L55 WeakPolarHBondContact CD-O 3.07Å; R22-L55 PolarHBondContact NE-O 3.19Å; R22-T56 PolarHBondContact NH1-OG1 3.26Å; R22-T56 PolarHBondContact NH2-OG1 3.41Å; R22-T57 PolarHBondContact NH1-OG1 3.12Å
23	Q	27.3	Very low	28.4	Very low	79 Å²	79	130.6 Å²	130.6	37%	0.369	66%	0.659	S	S	.	*			cis	-172.9	166	-41.1	-163.4	-169.6	-21.2	0	0	109	H54 L55 H355	Q23-H54 HydrophobicContact CB-CB 3.91Å; Q23-H54 HydrophobicContact CG-CB 3.7Å; Q23-L55 VanDerWaalsContact OE1-C 3.28Å; Q23-L55 PolarHBondContact OE1-O 3.42Å; Q23-H355 PolarHBondContact NE2-NE2 3.48Å; Q23-H355 PolarHBondContact OE1-CE1 3.4Å
24	M	24.8	Very low	28.3	Very low	102 Å²	102	126.3 Å²	126.3	50%	0.502	65%	0.647	S	S	.	*			trans	99.2	140.1	158.3	-52.4	-68.9	-106.9	0	0	116.5	N354 H355	M24-N354 VanDerWaalsContact CE-OD1 3.32Å; M24-N354 WeakPolarHBondContact CE-OD1 3.41Å; M24-H355 PolarHBondContact SD-CE1 2.9Å; M24-H355 PolarHBondContact SD-NE2 3.16Å
25	G	30	Very low	28.9	Very low	60 Å²	60	121.6 Å²	121.6	62%	0.619	65%	0.647	S	S	*	*			cis	130.6	138.7	-6	0	0	0	0	0	113.6
26	Q	31.8	Very low	30.3	Very low	127 Å²	127	115.9 Å²	115.9	59%	0.593	64%	0.641	S	S	*	*			cis	-146.3	-123.1	-0.3	-47.5	-168.6	124.1	0	0	111.4	N352 N353	Q26-N352 PolarHBondContact NE2-OD1 2.7Å; Q26-N353 PolarHBondContact NE2-OD1 3Å
27	D	31.6	Very low	29.9	Very low	82 Å²	82	110.3 Å²	110.3	44%	0.439	62%	0.623	S	S	.	*			trans	68.6	139.6	175.8	-60.8	-50.3	0	0	0	118.8	Y351 N352	D27-Y351 HydrophobicContact CB-CE1 3.96Å; D27-Y351 WeakPolarHBondContact OD2-CD1 3.5Å; D27-Y351 VanDerWaalsContact OD2-CE1 3.31Å; D27-Y351 WeakPolarHBondContact OD2-CE1 3.46Å; D27-N352 WeakPolarHBondContact OD1-CB 3.27Å; D27-N352 PolarHBondContact OD1-ND2 3Å; D27-N352 PolarHBondContact OD2-ND2 3.31Å
28	E	31.9	Very low	29.6	Very low	134 Å²	134	110.6 Å²	110.6	63%	0.626	61%	0.614	S	S	*	*	S	Bend	cis	-120.9	166.1	-15	-58.6	-179.3	161.3	0	0	107.8	Y351	E28-Y351 HydrophobicContact CG-CE2 4.29Å; E28-Y351 WeakPolarHBondContact CG-OH 3.48Å; E28-Y351 WeakPolarHBondContact OE1-CE2 3.5Å; E28-Y351 VanDerWaalsContact OE1-CZ 3.28Å; E28-Y351 PolarHBondContact OE1-OH 3.39Å
29	V	25.8	Very low	29.6	Very low	133 Å²	133	116 Å²	116	81%	0.806	62%	0.616	S	S	*	*			cis	-133.6	135.1	14.2	172.6	0	0	0	0	109.6
30	A	25.2	Very low	29.6	Very low	70 Å²	70	114.8 Å²	114.8	58%	0.579	61%	0.61	S	S	*	*			trans	-161.9	142.7	159	0	0	0	0	0	111.7
31	F	38.3	Very low	30.2	Very low	197 Å²	197	114.6 Å²	114.6	86%	0.864	61%	0.606	S	S	*	*			trans	66.7	155.3	175.8	-52.5	-74.8	0	0	0	114.1
32	P	33.9	Very low	30.5	Very low	112 Å²	112	116 Å²	116	73%	0.727	63%	0.626	S	S	*	*				-117.1	175.4	54.6	40.6	-34	0	0	0	115.8
33	Q	26.1	Very low	31.3	Very low	179 Å²	179	114.9 Å²	114.9	84%	0.836	63%	0.627	S	S	*	*			trans	4	130.2	158.4	-60.2	-174	11.5	0	0	117.4
34	T	24.4	Very low	32.1	Very low	79 Å²	79	117.6 Å²	117.6	49%	0.485	64%	0.643	S	S	.	*				-137	148.6	74	22	0	0	0	0	116.2	S37 E38 R39	T34-S37 CarbonylContact C-O 3.53Å; T34-S37 WeakPolarHBondContact CB-O 3.38Å; T34-E38 WeakPolarHBondContact CB-O 3.49Å; T34-E38 VanDerWaalsContact OG1-C 3.25Å; T34-E38 PolarHBondContact OG1-O 2.56Å; T34-R39 PolarHBondContact OG1-N 2.75Å
35	S	35.5	Very low	32.9	Very low	116 Å²	116	120.2 Å²	120.2	81%	0.811	65%	0.652	S	S	*	*			trans	-115.2	60.3	143.2	179.3	0	0	0	0	108.7	S37	S35-S37 CarbonylContact C-O 3.54Å; S35-S37 VanDerWaalsContact C-O 3.32Å; S35-S37 WeakPolarHBondContact CA-O 3.21Å; S35-S37 PolarHBondContact N-O 2.83Å
36	C	54.2	Low	32.8	Very low	108 Å²	108	123.7 Å²	123.7	73%	0.73	66%	0.661	S	S	*	*	S	Bend	trans	-52.5	-87.4	143.3	58.2	0	0	0	0	109.9
37	S	26	Very low	33	Very low	66 Å²	66	122.9 Å²	122.9	46%	0.462	67%	0.666	S	S	.	*	S	Bend	cis	71.9	130.8	0.9	-29.7	0	0	0	0	115.4	T34 S35	T34-S37 CarbonylContact C-O 3.53Å; T34-S37 WeakPolarHBondContact CB-O 3.38Å; S35-S37 CarbonylContact C-O 3.54Å; S35-S37 VanDerWaalsContact C-O 3.32Å; S35-S37 WeakPolarHBondContact CA-O 3.21Å; S35-S37 PolarHBondContact N-O 2.83Å
38	E	23.9	Very low	32.7	Very low	124 Å²	124	125 Å²	125	58%	0.579	68%	0.682	S	S	*	*				47	129.7	86	-41.1	139.8	-137.6	0	0	112.4	T34	T34-E38 WeakPolarHBondContact CB-O 3.49Å; T34-E38 VanDerWaalsContact OG1-C 3.25Å; T34-E38 PolarHBondContact OG1-O 2.56Å
39	R	26.1	Very low	32.3	Very low	198 Å²	198	123.4 Å²	123.4	75%	0.747	69%	0.686	S	S	*	*			cis	-129.7	123.2	33.1	-82.2	-174.9	167.5	105.5	8.5	115.3	T34	T34-R39 PolarHBondContact OG1-N 2.75Å
40	E	27.3	Very low	32.2	Very low	139 Å²	139	123.5 Å²	123.5	65%	0.65	69%	0.687	S	S	*	*				39	121.9	106.7	-73.8	-169.8	144.2	0	0	119.3
41	E	36.8	Very low	32.3	Very low	119 Å²	119	126.6 Å²	126.6	56%	0.556	69%	0.694	S	S	*	*			trans	74.4	170.2	130.1	-59.9	-153	170.5	0	0	116.2	N43	E41-N43 HydrophobicContact CB-CB 3.65Å; E41-N43 VanDerWaalsContact CD-CB 3.45Å; E41-N43 HydrophobicContact CG-CB 3.54Å; E41-N43 VanDerWaalsContact OE1-CG 3.23Å; E41-N43 PolarHBondContact OE1-ND2 3.15Å; E41-N43 VanDerWaalsContact OE2-CB 3.23Å; E41-N43 WeakPolarHBondContact OE2-CB 3.13Å; E41-N43 VanDerWaalsContact OE2-CG 3.28Å; E41-N43 PolarHBondContact OE2-ND2 3.39Å
42	C	33.2	Very low	32	Very low	127 Å²	127	125.4 Å²	125.4	86%	0.858	69%	0.691	S	S	*	*			cis	-107.5	114.6	4.6	-56.6	0	0	0	0	111.3
43	N	42.9	Very low	32	Very low	62 Å²	62	123.4 Å²	123.4	33%	0.332	68%	0.679	S	S	.	*			cis	71.6	142.5	43	-149	43.2	0	0	0	114.5	E41 K45	E41-N43 HydrophobicContact CB-CB 3.65Å; E41-N43 VanDerWaalsContact CD-CB 3.45Å; E41-N43 HydrophobicContact CG-CB 3.54Å; E41-N43 VanDerWaalsContact OE1-CG 3.23Å; E41-N43 PolarHBondContact OE1-ND2 3.15Å; E41-N43 VanDerWaalsContact OE2-CB 3.23Å; E41-N43 WeakPolarHBondContact OE2-CB 3.13Å; E41-N43 VanDerWaalsContact OE2-CG 3.28Å; E41-N43 PolarHBondContact OE2-ND2 3.39Å; N43-K45 VanDerWaalsContact CG-NZ 3.29Å; N43-K45 PolarHBondContact ND2-NZ 2.8Å; N43-K45 WeakPolarHBondContact OD1-CE 3.38Å; N43-K45 PolarHBondContact OD1-NZ 2.68Å
44	L	43.5	Very low	32.3	Very low	136 Å²	136	118.9 Å²	118.9	71%	0.712	66%	0.658	S	S	*	*			trans	70.2	113.5	-168.3	-77	69.3	0	0	0	115.2
45	K	42.9	Very low	32.6	Very low	157 Å²	157	116.2 Å²	116.2	68%	0.683	64%	0.641	S	S	*	*			cis	167.6	67.3	-43.5	-88.7	153.8	159.7	151.8	0	106.6	N43	N43-K45 VanDerWaalsContact CG-NZ 3.29Å; N43-K45 PolarHBondContact ND2-NZ 2.8Å; N43-K45 WeakPolarHBondContact OD1-CE 3.38Å; N43-K45 PolarHBondContact OD1-NZ 2.68Å
46	V	28.3	Very low	32.5	Very low	133 Å²	133	111.4 Å²	111.4	81%	0.806	61%	0.606	S	S	*	*			cis	74.8	131.5	22.3	-177.9	0	0	0	0	114.2
47	P	36.1	Very low	31.5	Very low	109 Å²	109	110.2 Å²	110.2	71%	0.708	60%	0.596	S	S	*	*			trans	-141.1	-158.8	-140.4	35.3	-9.7	0	0	0	116.6
48	V	25.4	Very low	31.5	Very low	127 Å²	127	114 Å²	114	77%	0.77	60%	0.604	S	S	*	*			trans	87.9	141.7	159	-147.2	0	0	0	0	119.1
49	S	22.7	Very low	32.2	Very low	101 Å²	101	113.4 Å²	113.4	71%	0.706	61%	0.611	S	S	*	*			trans	0.1	141.2	168.5	64.5	0	0	0	0	122.5
50	T	24.3	Very low	32.3	Very low	134 Å²	134	109.8 Å²	109.8	82%	0.822	61%	0.606	S	S	*	*			trans	-98.4	113.7	154	52.4	0	0	0	0	112.6
51	N	26.5	Very low	32.2	Very low	135 Å²	135	108.3 Å²	108.3	72%	0.722	61%	0.611	S	S	*	*			trans	-160.8	135	153.7	-90.9	-20.9	0	0	0	106.6
52	H	31.2	Very low	31.9	Very low	173 Å²	173	110.9 Å²	110.9	80%	0.801	62%	0.623	S	S	*	*			cis	-143.5	-175.9	3.9	-96.8	-40.9	0	0	0	112
53	S	34.7	Very low	31.5	Very low	70 Å²	70	108.5 Å²	108.5	49%	0.49	61%	0.612	S	S	.	*			trans	-136.8	176.4	-172.3	71.5	0	0	0	0	112.4	K358	S53-K358 PolarHBondContact OG-NZ 3.4Å
54	H	31.5	Very low	31.2	Very low	84 Å²	84	111 Å²	111	39%	0.389	63%	0.631	S	S	.	*			trans	-146.2	5.5	162.8	-132.5	-40.8	0	0	0	123.5	R22 Q23	R22-H54 WeakPolarHBondContact CG-O 3.37Å; R22-H54 PolarHBondContact N-CE1 3.35Å; R22-H54 VanDerWaalsContact N-CE1 3.3Å; R22-H54 PolarHBondContact N-ND1 2.83Å; R22-H54 PolarHBondContact N-NE2 2.56Å; Q23-H54 HydrophobicContact CB-CB 3.91Å; Q23-H54 HydrophobicContact CG-CB 3.7Å
55	L	31.8	Very low	30.5	Very low	23 Å²	23	109 Å²	109	12%	0.12	63%	0.629	C	S	.	*			trans	85.8	130.2	160.1	-54.7	81.8	0	0	0	123.4	R22 Q23 K358 Q359	R22-L55 VanDerWaalsContact CD-O 3.31Å; R22-L55 WeakPolarHBondContact CD-O 3.07Å; R22-L55 PolarHBondContact NE-O 3.19Å; Q23-L55 VanDerWaalsContact OE1-C 3.28Å; Q23-L55 PolarHBondContact OE1-O 3.42Å; L55-K358 HydrophobicContact CB-CD 4.46Å; L55-K358 HydrophobicContact CD1-CD 4.26Å; L55-K358 HydrophobicContact CD2-CB 4.06Å; L55-K358 HydrophobicContact CD2-CD 3.85Å; L55-K358 HydrophobicContact CG-CB 4.23Å; L55-K358 HydrophobicContact CG-CD 3.51Å; L55-K358 HydrophobicContact CG-CG 4.5Å; L55-Q359 HydrophobicContact CD2-CG 3.62Å
56	T	33.8	Very low	29.7	Very low	15 Å²	15	108.8 Å²	108.8	9%	0.092	64%	0.635	C	S	.	*			trans	75	-172.2	138.8	66.3	0	0	0	0	120.2	R22 H355 S356 S357 K358	R22-T56 PolarHBondContact NH1-OG1 3.26Å; R22-T56 PolarHBondContact NH2-OG1 3.41Å; T56-H355 PolarHBondContact O-CE1 3.04Å; T56-H355 PolarHBondContact O-ND1 3.47Å; T56-H355 VanDerWaalsContact O-ND1 3.14Å; T56-S356 WeakPolarHBondContact CA-O 3.17Å; T56-S357 VanDerWaalsContact CA-OG 3.26Å; T56-S357 WeakPolarHBondContact CA-OG 2.12Å; T56-S357 WeakPolarHBondContact CB-OG 3.12Å; T56-S357 WeakPolarHBondContact CG2-OG 3.28Å; T56-K358 HydrophobicContact CG2-CB 3.82Å; T56-K358 WeakPolarHBondContact CG2-O 3.2Å
57	T	32.5	Very low	29.7	Very low	82 Å²	82	108.4 Å²	108.4	50%	0.503	63%	0.633	S	S	.	*			cis	-161.8	148	12.5	-9.9	0	0	0	0	116.2	R22	R22-T57 PolarHBondContact NH1-OG1 3.12Å
58	K	26.5	Very low	29.3	Very low	147 Å²	147	111.3 Å²	111.3	64%	0.639	64%	0.637	S	S	*	*			trans	65.7	168	141.2	-96.8	-173.8	177.1	-66.6	0	122.9	D60	K58-D60 IonicContact NZ-OD1 2.7Å; K58-D60 PolarHBondContact NZ-OD1 3.07Å; K58-D60 IonicContact NZ-OD2 2.84Å; K58-D60 PolarHBondContact NZ-OD2 3.34Å
59	P	38.4	Very low	29.4	Very low	111 Å²	111	111.7 Å²	111.7	72%	0.721	64%	0.64	S	S	*	*			cis	-131.6	178.7	-18.8	32.5	-13.6	0	0	0	114.6
60	D	27.7	Very low	29.6	Very low	121 Å²	121	112.9 Å²	112.9	65%	0.647	64%	0.643	S	S	*	*			cis	-163.4	-168.6	-22.5	-78.4	-24.6	0	0	0	104.9	K58	K58-D60 IonicContact NZ-OD1 2.7Å; K58-D60 PolarHBondContact NZ-OD1 3.07Å; K58-D60 IonicContact NZ-OD2 2.84Å; K58-D60 PolarHBondContact NZ-OD2 3.34Å
61	S	26.5	Very low	29.8	Very low	108 Å²	108	112.9 Å²	112.9	76%	0.755	64%	0.643	S	S	*	*			cis	-150.2	-129.9	12.3	42	0	0	0	0	109.8
62	H	29	Very low	29.8	Very low	174 Å²	174	114.3 Å²	114.3	81%	0.806	65%	0.645	S	S	*	*			cis	-161.6	-174.2	0.6	-154.8	-98.7	0	0	0	111.3
63	A	24.6	Very low	29.6	Very low	77 Å²	77	110.6 Å²	110.6	64%	0.636	64%	0.639	S	S	*	*			trans	-152.2	-162.7	175.9	0	0	0	0	0	112
64	P	36.6	Very low	29.3	Very low	113 Å²	113	113.9 Å²	113.9	73%	0.734	65%	0.649	S	S	*	*			cis	-144.1	-159.8	-6.2	45.1	-23.3	0	0	0	117.2
65	S	28.6	Very low	29.2	Very low	94 Å²	94	116.8 Å²	116.8	66%	0.657	67%	0.668	S	S	*	*			trans	79.8	103.6	147	64.5	0	0	0	0	126.6
66	D	27.3	Very low	29	Very low	153 Å²	153	123.1 Å²	123.1	82%	0.818	69%	0.694	S	S	*	*				61.9	147.8	123.9	-52.9	-13.9	0	0	0	128
67	V	27.9	Very low	28.8	Very low	126 Å²	126	126.2 Å²	126.2	76%	0.764	72%	0.715	S	S	*	*			trans	118.4	109.8	145.6	-176	0	0	0	0	120.7
68	Q	26.8	Very low	28.6	Very low	170 Å²	170	127.5 Å²	127.5	79%	0.794	72%	0.717	S	S	*	*			trans	77.3	142.3	146	-80.9	174.8	2.6	0	0	127.7
69	T	29.4	Very low	28.5	Very low	134 Å²	134	125.1 Å²	125.1	82%	0.822	72%	0.719	S	S	*	*			trans	83.9	157.5	148.3	41.5	0	0	0	0	122.5
70	V	25.4	Very low	28	Very low	126 Å²	126	125.5 Å²	125.5	76%	0.764	71%	0.711	S	S	*	*			trans	-150.7	143.5	-148.5	171.9	0	0	0	0	112.3
71	T	29.4	Very low	28	Very low	134 Å²	134	124.8 Å²	124.8	82%	0.822	72%	0.715	S	S	*	*			trans	172.8	158.5	142.9	34.1	0	0	0	0	110.1
72	E	25.7	Very low	28.3	Very low	165 Å²	165	125 Å²	125	77%	0.771	72%	0.715	S	S	*	*			cis	-166.6	167.1	-47	-157.9	164.2	-130.1	0	0	109
73	S	27.5	Very low	28.1	Very low	95 Å²	95	123 Å²	123	66%	0.664	71%	0.714	S	S	*	*			trans	73	154.4	164.7	-59.2	0	0	0	0	119.6
74	I	28.2	Very low	28.2	Very low	140 Å²	140	123.5 Å²	123.5	72%	0.718	72%	0.718	S	S	*	*			cis	-153.5	124.7	-25.4	-98.4	157.4	0	0	0	105.4
75	D	28.8	Very low	27.9	Very low	145 Å²	145	122.7 Å²	122.7	78%	0.775	72%	0.721	S	S	*	*				176.3	160	122.4	-117.7	-35.1	0	0	0	111	P77	D75-P77 WeakPolarHBondContact O-CD 3.34Å
76	K	27.8	Very low	27.8	Very low	155 Å²	155	124.3 Å²	124.3	67%	0.674	73%	0.727	S	S	*	*			trans	-108.3	123.2	-152.5	-73.7	-169.2	162.6	175.8	0	118.1	Y375 G376	K76-Y375 CarbonylContact C-O 3.46Å; K76-Y375 WeakPolarHBondContact CA-O 3.49Å; K76-Y375 WeakPolarHBondContact CB-O 3.1Å; K76-Y375 WeakPolarHBondContact CG-O 3.07Å; K76-G376 WeakPolarHBondContact CB-O 3.16Å
77	P	31	Very low	27.9	Very low	81 Å²	81	124.4 Å²	124.4	53%	0.526	72%	0.72	S	S	.	*			trans	-100.6	-72.2	174.9	-8.5	30	0	0	0	119.8	D75 Y375 M377	D75-P77 WeakPolarHBondContact O-CD 3.34Å; P77-Y375 WeakPolarHBondContact CD-O 3.34Å; P77-Y375 VanDerWaalsContact N-C 3.28Å; P77-M377 VanDerWaalsContact C-N 3.33Å; P77-M377 WeakPolarHBondContact O-CA 3.39Å; P77-M377 VanDerWaalsContact O-CB 3.29Å; P77-M377 WeakPolarHBondContact O-CB 3.09Å; P77-M377 WeakPolarHBondContact O-CG 3.34Å; P77-M377 PolarHBondContact O-N 3.36Å
78	I	26.7	Very low	28.1	Very low	109 Å²	109	124.2 Å²	124.2	56%	0.559	72%	0.721	S	S	*	*			trans	-122.4	164.5	-166	-160.1	160.4	0	0	0	117.7	Y375 G376	I78-Y375 CarbonylContact O-C 3.04Å; I78-Y375 WeakPolarHBondContact O-CA 3.49Å; I78-Y375 WeakPolarHBondContact O-CB 3.39Å; I78-G376 PolarHBondContact O-N 2.91Å
79	S	26.3	Very low	28.2	Very low	96 Å²	96	122.4 Å²	122.4	67%	0.671	71%	0.713	S	S	*	*			trans	-71.3	155.6	-175.4	57.7	0	0	0	0	117.8
80	H	26.5	Very low	28.3	Very low	120 Å²	120	127.1 Å²	127.1	56%	0.556	72%	0.717	S	S	*	*			trans	-154.1	147.3	158.7	-97.7	-111.9	0	0	0	112.4	Y375	H80-Y375 HydrophobicContact CB-CD1 4.11Å; H80-Y375 HydrophobicContact CB-CD2 4.23Å; H80-Y375 HydrophobicContact CB-CE1 3.5Å; H80-Y375 VanDerWaalsContact CB-CE1 3.5Å; H80-Y375 HydrophobicContact CB-CE2 3.68Å; H80-Y375 HydrophobicContact CB-CG 4.48Å; H80-Y375 WeakPolarHBondContact CB-OH 3.41Å; H80-Y375 AromaticContact CD2-CD2 3.42Å; H80-Y375 VanDerWaalsContact CD2-CD2 3.42Å; H80-Y375 WeakPolarHBondContact CD2-CD2 3.32Å; H80-Y375 AromaticContact CD2-CE2 2.98Å; H80-Y375 WeakPolarHBondContact CD2-CE2 3.45Å; H80-Y375 AromaticContact CD2-CZ 3.58Å; H80-Y375 AromaticContact CE1-CE2 3.9Å; H80-Y375 AromaticContact CG-CE2 3.32Å; H80-Y375 AromaticContact CG-CZ 3.36Å; H80-Y375 AromaticContact ND1-CE2 3.87Å; H80-Y375 AromaticContact ND1-CZ 3.83Å; H80-Y375 PolarHBondContact ND1-OH 3.43Å; H80-Y375 AromaticContact NE2-CE2 3.4Å; H80-Y375 WeakPolarHBondContact NE2-CE2 3.47Å
81	S	27	Very low	28.5	Very low	105 Å²	105	124 Å²	124	73%	0.734	71%	0.71	S	S	*	*			trans	38.3	158.6	135.4	-83.9	0	0	0	0	124.6
82	P	33.5	Very low	28.5	Very low	114 Å²	114	125.6 Å²	125.6	74%	0.74	71%	0.714	S	S	*	*			trans	-134.5	-166.7	-131.1	33.1	-9.1	0	0	0	116.7
83	V	25.2	Very low	28.6	Very low	130 Å²	130	126.5 Å²	126.5	79%	0.788	72%	0.718	S	S	*	*			trans	93.2	94.5	160.3	-168.2	0	0	0	0	119.1
84	A	27.1	Very low	28.9	Very low	89 Å²	89	126.7 Å²	126.7	74%	0.736	72%	0.717	S	S	*	*				51.3	114.9	126.2	0	0	0	0	0	124.4
85	A	29.9	Very low	28.9	Very low	95 Å²	95	127.6 Å²	127.6	79%	0.785	72%	0.717	S	S	*	*				63.5	136.5	112.7	0	0	0	0	0	124.1
86	V	26.5	Very low	28.7	Very low	129 Å²	129	129.7 Å²	129.7	78%	0.782	72%	0.72	S	S	*	*			trans	-141.1	117.1	165	176.9	0	0	0	0	105.6
87	K	29.3	Very low	29	Very low	155 Å²	155	127.3 Å²	127.3	67%	0.674	72%	0.721	S	S	*	*				73.9	142.7	70.2	-70.5	179.3	179.6	172.2	0	113.8
88	P	32.1	Very low	29.9	Very low	122 Å²	122	129.5 Å²	129.5	79%	0.792	74%	0.735	S	S	*	*				-101.8	150.3	76.9	-12	31.1	0	0	0	113.1
89	H	28.5	Very low	29.9	Very low	132 Å²	132	129.2 Å²	129.2	61%	0.611	74%	0.74	S	S	*	*				64.9	128.3	54.5	-67.1	-77.7	0	0	0	113.1
90	Y	31.2	Very low	30	Very low	232 Å²	232	132.7 Å²	132.7	91%	0.91	75%	0.746	S	S	*	*			cis	-126.3	174.8	18.5	-68.9	-110.6	0	0	0	111.3
91	G	29.3	Very low	30.3	Very low	61 Å²	61	133.7 Å²	133.7	63%	0.629	76%	0.755	S	S	*	*			cis	169.7	142.8	-9	0	0	0	0	0	113.6
92	N	30.5	Very low	30.5	Very low	168 Å²	168	132.7 Å²	132.7	90%	0.898	75%	0.748	S	S	*	*			trans	54.5	125	158.6	-61.5	2	0	0	0	124.3
93	H	28.6	Very low	30.2	Very low	183 Å²	183	134 Å²	134	85%	0.847	74%	0.738	S	S	*	*			trans	-35.8	163.3	142.6	-84.3	-65	0	0	0	115.6
94	P	32	Very low	30.2	Very low	99 Å²	99	130.8 Å²	130.8	64%	0.643	73%	0.726	S	S	*	*				-158.8	-173.9	51.6	46.1	-24.6	0	0	0	120.3
95	H	28.5	Very low	30.2	Very low	159 Å²	159	130.1 Å²	130.1	74%	0.736	72%	0.715	S	S	*	*			trans	63.2	139	159	-65.5	-55.8	0	0	0	119
96	F	24.4	Very low	30.1	Very low	189 Å²	189	128.6 Å²	128.6	83%	0.829	70%	0.699	S	S	*	*				64.3	138.7	52.7	-83.8	-89.3	0	0	0	114.3
97	P	34.3	Very low	30.2	Very low	106 Å²	106	127.4 Å²	127.4	69%	0.688	70%	0.696	S	S	*	*			cis	-126.5	-170.8	-46.4	40.3	-23.7	0	0	0	110.3
98	P	49.6	Very low	30.2	Very low	126 Å²	126	127.4 Å²	127.4	82%	0.818	71%	0.71	S	S	*	*			trans	-91.9	153.6	-162.9	36.1	-35.3	0	0	0	115.7
99	P	28.1	Very low	30	Very low	103 Å²	103	124 Å²	124	67%	0.669	70%	0.697	S	S	*	*			trans	-110.5	157.1	156.3	38.3	-29.3	0	0	0	112.9
100	Q	27.9	Very low	30	Very low	170 Å²	170	121.8 Å²	121.8	79%	0.794	70%	0.696	S	S	*	*			trans	40.1	124.2	140.3	-67.3	155.2	-24.9	0	0	119.4
101	D	32.7	Very low	30.1	Very low	140 Å²	140	112.6 Å²	112.6	75%	0.749	67%	0.668	S	S	*	*			cis	-137.1	137	11.1	-86.2	-40.5	0	0	0	111.3
102	S	30.2	Very low	30.3	Very low	85 Å²	85	113.8 Å²	113.8	59%	0.594	66%	0.663	S	S	*	*				77	114	69.2	147.6	0	0	0	0	114.5
103	R	27.6	Very low	30.5	Very low	141 Å²	141	109.3 Å²	109.3	53%	0.532	64%	0.642	S	S	.	*			trans	72.1	45.7	137.6	-55.8	-166.8	148.6	-159.3	-14.4	118.6	T112 T113	R103-T112 HydrophobicContact CB-CG2 4.5Å; R103-T112 WeakPolarHBondContact O-CA 2.12Å; R103-T112 PolarHBondContact O-N 2.97Å; R103-T112 VanDerWaalsContact O-N 3.14Å; R103-T113 HydrophobicContact CG-CG2 4.32Å
104	A	26.1	Very low	30.7	Very low	63 Å²	63	102.3 Å²	102.3	52%	0.521	62%	0.619	S	S	.	*				54	172.2	117.9	0	0	0	0	0	121.7	A111 T112 T113	A104-A111 CarbonylContact O-C 3.15Å; A104-A111 WeakPolarHBondContact O-CA 3.45Å; A104-T112 PolarHBondContact O-N 3.43Å; A104-T113 WeakPolarHBondContact CB-O 2.14Å
105	S	26.5	Very low	30.8	Very low	74 Å²	74	100.5 Å²	100.5	52%	0.517	62%	0.619	S	S	.	*			trans	66.7	128.7	160.3	-136.1	0	0	0	0	119.6	A111	S105-A111 VanDerWaalsContact O-CA 3.28Å; S105-A111 WeakPolarHBondContact O-CA 2.12Å; S105-A111 PolarHBondContact O-N 3.06Å
106	S	28.8	Very low	31.1	Very low	64 Å²	64	99.3 Å²	99.3	45%	0.448	62%	0.623	S	S	.	*			trans	17.6	139	144.1	50.6	0	0	0	0	121.3	G109 S110 A111	S106-G109 VanDerWaalsContact CB-O 3.25Å; S106-G109 WeakPolarHBondContact CB-O 3.34Å; S106-G109 CarbonylContact O-C 3Å; S106-G109 VanDerWaalsContact O-C 3.28Å; S106-G109 PolarHBondContact OG-O 3.35Å; S106-S110 CarbonylContact O-C 3.59Å; S106-S110 WeakPolarHBondContact O-CA 3.22Å; S106-S110 PolarHBondContact O-N 2.9Å; S106-S110 PolarHBondContact OG-O 3.45Å; S106-A111 PolarHBondContact O-N 3.41Å
107	S	29	Very low	31.1	Very low	103 Å²	103	95.6 Å²	95.6	72%	0.72	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-158.9	140.8	142.1	-82.4	0	0	0	0	110.3	S110	S107-S110 PolarHBondContact OG-N 3.49Å
108	T	27.3	Very low	31.1	Very low	156 Å²	156	95.8 Å²	95.8	96%	0.957	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	cis	-76.3	124.3	-5.2	45.8	0	0	0	0	111
109	G	28.2	Very low	30	Very low	51 Å²	51	95.9 Å²	95.9	53%	0.526	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	cis	-124.1	147.3	3	0	0	0	0	0	115.2	S106	S106-G109 VanDerWaalsContact CB-O 3.25Å; S106-G109 WeakPolarHBondContact CB-O 3.34Å; S106-G109 CarbonylContact O-C 3Å; S106-G109 VanDerWaalsContact O-C 3.28Å; S106-G109 PolarHBondContact OG-O 3.35Å
110	S	28.8	Very low	30	Very low	84 Å²	84	94.1 Å²	94.1	59%	0.587	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.3	97.3	155.6	-166.6	0	0	0	0	120.3	S106 S107	S106-S110 CarbonylContact O-C 3.59Å; S106-S110 WeakPolarHBondContact O-CA 3.22Å; S106-S110 PolarHBondContact O-N 2.9Å; S106-S110 PolarHBondContact OG-O 3.45Å; S107-S110 PolarHBondContact OG-N 3.49Å
111	A	33.2	Very low	29.9	Very low	40 Å²	40	94.7 Å²	94.7	33%	0.331	60%	0.603	S	S	.	*				44	139.5	103	0	0	0	0	0	119.9	A104 S105 S106	A104-A111 CarbonylContact O-C 3.15Å; A104-A111 WeakPolarHBondContact O-CA 3.45Å; S105-A111 VanDerWaalsContact O-CA 3.28Å; S105-A111 WeakPolarHBondContact O-CA 2.12Å; S105-A111 PolarHBondContact O-N 3.06Å; S106-A111 PolarHBondContact O-N 3.41Å
112	T	33.3	Very low	29.7	Very low	85 Å²	85	93.2 Å²	93.2	52%	0.521	60%	0.603	S	S	.	*			trans	71.2	150	165.9	83	0	0	0	0	115.1	R103 A104	R103-T112 HydrophobicContact CB-CG2 4.5Å; R103-T112 WeakPolarHBondContact O-CA 2.12Å; R103-T112 PolarHBondContact O-N 2.97Å; R103-T112 VanDerWaalsContact O-N 3.14Å; A104-T112 PolarHBondContact O-N 3.43Å
113	T	34.5	Very low	29.6	Very low	74 Å²	74	94.7 Å²	94.7	45%	0.454	61%	0.614	S	S	.	*			cis	-132.9	165.8	4.9	48.1	0	0	0	0	109.1	R103 A104	R103-T113 HydrophobicContact CG-CG2 4.32Å; A104-T113 WeakPolarHBondContact CB-O 2.14Å
114	G	34.3	Very low	29.8	Very low	36 Å²	36	92 Å²	92	37%	0.371	63%	0.63	S	S	.	*				60	120.8	62.8	0	0	0	0	0	110.8
115	G	33.9	Very low	30.2	Very low	61 Å²	61	92.3 Å²	92.3	63%	0.629	64%	0.64	S	S	*	*			cis	136.1	-174.3	32.3	0	0	0	0	0	107.2
116	T	33.6	Very low	30.4	Very low	135 Å²	135	98 Å²	98	83%	0.828	66%	0.655	S	S	*	*			trans	60.6	133.2	-176	48.7	0	0	0	0	114.7
117	S	26	Very low	30.2	Very low	110 Å²	110	102.2 Å²	102.2	77%	0.769	67%	0.672	S	S	*	*			cis	69.9	162.9	40.4	-161.1	0	0	0	0	113.2
118	V	34	Very low	30	Very low	111 Å²	111	100.9 Å²	100.9	67%	0.673	68%	0.675	S	S	*	*			trans	68.8	119.4	-173.5	-144.7	0	0	0	0	110.2
119	D	25.9	Very low	30.2	Very low	127 Å²	127	99 Å²	99	68%	0.679	67%	0.668	S	S	*	*				53.5	146.2	65.1	-85	-57.6	0	0	0	112.6	K121	D119-K121 IonicContact OD1-NZ 2.79Å; D119-K121 PolarHBondContact OD1-NZ 3.34Å
120	S	28.2	Very low	30	Very low	66 Å²	66	102.2 Å²	102.2	46%	0.462	68%	0.683	S	S	.	*			cis	-157	164.8	-7.2	-133.9	0	0	0	0	111.9	S122	S120-S122 PolarHBondContact O-N 3.23Å; S120-S122 VanDerWaalsContact O-N 3.12Å
121	K	26.1	Very low	29.9	Very low	183 Å²	183	101.3 Å²	101.3	80%	0.796	69%	0.687	S	S	*	*				9.8	89.6	125.5	-46.8	171.5	-152.9	83.2	0	116	D119	D119-K121 IonicContact OD1-NZ 2.79Å; D119-K121 PolarHBondContact OD1-NZ 3.34Å
122	S	27.9	Very low	29.4	Very low	108 Å²	108	104.4 Å²	104.4	76%	0.755	71%	0.706	S	S	*	*			trans	-158.8	136.6	154.4	49.2	0	0	0	0	110.9	S120	S120-S122 PolarHBondContact O-N 3.23Å; S120-S122 VanDerWaalsContact O-N 3.12Å
123	S	29.1	Very low	29.2	Very low	116 Å²	116	106.9 Å²	106.9	81%	0.811	72%	0.716	S	S	*	*			cis	-167.1	148.1	-7.2	48.2	0	0	0	0	112.3
124	G	31.5	Very low	28.7	Very low	84 Å²	84	112.5 Å²	112.5	87%	0.866	74%	0.735	S	S	*	*			trans	79.7	158.9	168.6	0	0	0	0	0	115.2
125	G	34.5	Very low	28.5	Very low	71 Å²	71	116.1 Å²	116.1	73%	0.732	75%	0.754	S	S	*	*			cis	-114.4	143.7	-17.4	0	0	0	0	0	109.6
126	K	29.3	Very low	28.1	Very low	192 Å²	192	124.3 Å²	124.3	84%	0.835	77%	0.766	S	S	*	*				63	106.3	68.6	-79.1	-168.6	175.2	-179.6	0	114.8
127	N	25.2	Very low	27.6	Very low	153 Å²	153	125.3 Å²	125.3	82%	0.818	77%	0.766	S	S	*	*			trans	70.3	129.9	132.5	-54.2	5.6	0	0	0	120.1
128	G	26	Very low	27.7	Very low	76 Å²	76	125.1 Å²	125.1	78%	0.784	77%	0.77	S	S	*	*			trans	90.9	149.2	165.6	0	0	0	0	0	114.4
129	S	29.8	Very low	27.2	Very low	115 Å²	115	125 Å²	125	80%	0.804	77%	0.774	S	S	*	*			cis	-157.6	171.4	-8.9	58.4	0	0	0	0	112.1
130	S	24.5	Very low	27.2	Very low	119 Å²	119	124.4 Å²	124.4	83%	0.832	78%	0.779	S	S	*	*			trans	-42.6	153.1	166.4	49.4	0	0	0	0	116.6
131	G	26.9	Very low	27.2	Very low	66 Å²	66	126.6 Å²	126.6	68%	0.68	79%	0.794	S	S	*	*			trans	140.9	121.2	173.9	0	0	0	0	0	109.6
132	S	23.3	Very low	27.3	Very low	105 Å²	105	122 Å²	122	73%	0.734	79%	0.79	S	S	*	*			cis	58.2	88.1	21	81.8	0	0	0	0	115.4
133	D	28.6	Very low	27.2	Very low	137 Å²	137	125.9 Å²	125.9	73%	0.733	79%	0.794	S	S	*	*				-175.3	153.3	109.2	-84.6	-25.1	0	0	0	110.1
134	K	24.5	Very low	27.1	Very low	192 Å²	192	125.2 Å²	125.2	84%	0.835	78%	0.782	S	S	*	*			cis	86.3	52.8	31.2	-64.9	-174.8	176	173.3	0	117
135	S	29.3	Very low	27.1	Very low	112 Å²	112	125 Å²	125	78%	0.783	76%	0.757	S	S	*	*			trans	-138.7	105.3	146.2	52.9	0	0	0	0	108.2
136	R	26.3	Very low	26.9	Very low	232 Å²	232	123 Å²	123	88%	0.875	74%	0.736	S	S	*	*				49.9	105.2	67.9	-83.9	-171.9	169.3	174.4	-3.6	114.1
137	L	22.9	Very low	27	Very low	157 Å²	157	119.2 Å²	119.2	82%	0.822	73%	0.729	S	S	*	*				31.6	109.2	124.8	-73.9	158.7	0	0	0	117.5
138	A	27.3	Very low	27.2	Very low	105 Å²	105	118.4 Å²	118.4	87%	0.868	72%	0.723	S	S	*	*			trans	-140.9	104.9	144.5	0	0	0	0	0	108.3
139	C	23.2	Very low	27.3	Very low	110 Å²	110	120.9 Å²	120.9	74%	0.743	73%	0.727	S	S	*	*			trans	-96.8	135.7	168.3	-62.1	0	0	0	0	108.6
140	S	26.2	Very low	27.3	Very low	114 Å²	114	118.3 Å²	118.3	80%	0.797	72%	0.719	S	S	*	*			trans	-168	150.9	163	-82.2	0	0	0	0	110.7
141	S	29.7	Very low	27.5	Very low	111 Å²	111	118 Å²	118	78%	0.776	72%	0.717	S	S	*	*			trans	55.3	115	168	41.9	0	0	0	0	116.9
142	A	27.2	Very low	27.4	Very low	86 Å²	86	120.5 Å²	120.5	71%	0.711	72%	0.724	S	S	*	*			cis	64.4	139.1	26.9	0	0	0	0	0	113.1
143	F	25	Very low	27.6	Very low	190 Å²	190	119.8 Å²	119.8	83%	0.833	73%	0.725	S	S	*	*			cis	-161.6	-167.4	-5.7	-141.9	-106.8	0	0	0	108.5
144	N	28.9	Very low	27.6	Very low	103 Å²	103	118 Å²	118	55%	0.551	72%	0.722	S	S	*	*			trans	81.3	146.9	178	-54.7	-6.7	0	0	0	115.1	E1442	N144-E1442 PolarHBondContact ND2-OE1 2.94Å
145	K	30.5	Very low	28	Very low	79 Å²	79	113.4 Å²	113.4	34%	0.343	72%	0.715	S	S	.	*			cis	-153.4	-175.8	-20.5	-107.2	153.8	-156.5	164.8	0	104	S1441 E1442 N1443	K145-S1441 VanDerWaalsContact C-OG 3.29Å; K145-S1441 PolarHBondContact O-OG 3.26Å; K145-E1442 HydrophobicContact CB-CG 4.46Å; K145-E1442 HydrophobicContact CD-CB 4.1Å; K145-E1442 HydrophobicContact CD-CG 3.62Å; K145-E1442 VanDerWaalsContact CD-OE1 3.28Å; K145-E1442 WeakPolarHBondContact CD-OE1 3.11Å; K145-E1442 WeakPolarHBondContact CD-OE2 3.15Å; K145-E1442 IonicContact NZ-OE1 3.56Å; K145-E1442 PolarHBondContact NZ-OE1 2.76Å; K145-E1442 IonicContact NZ-OE2 3.73Å; K145-E1442 PolarHBondContact NZ-OE2 2.69Å; K145-N1443 HydrophobicContact CD-CB 4.38Å; K145-N1443 VanDerWaalsContact CD-OD1 3.29Å; K145-N1443 WeakPolarHBondContact CD-OD1 2.12Å; K145-N1443 VanDerWaalsContact CE-CG 3.41Å; K145-N1443 WeakPolarHBondContact CE-ND2 2.13Å; K145-N1443 WeakPolarHBondContact CE-OD1 3.44Å; K145-N1443 PolarHBondContact NZ-ND2 2.79Å
146	G	30.5	Very low	28.1	Very low	28 Å²	28	112.6 Å²	112.6	29%	0.289	71%	0.709	S	S	.	*			cis	158.5	92	5.7	0	0	0	0	0	109.8	S1441	G146-S1441 PolarHBondContact N-OG 3.39Å; G146-S1441 WeakPolarHBondContact O-CB 3.3Å
147	T	30.6	Very low	28.3	Very low	114 Å²	114	107.2 Å²	107.2	70%	0.699	70%	0.702	S	S	*	*			trans	68.9	140.9	132.6	44.6	0	0	0	0	124.4
148	I	29.9	Very low	28.5	Very low	135 Å²	135	107.3 Å²	107.3	69%	0.692	70%	0.699	S	S	*	*			trans	97.4	139.9	139.4	-77.3	158.6	0	0	0	120.4
149	C	28.9	Very low	28.7	Very low	128 Å²	128	109.7 Å²	109.7	87%	0.865	69%	0.692	S	S	*	*			trans	61.8	131.5	174.6	-71.7	0	0	0	0	118
150	G	29.2	Very low	28.9	Very low	62 Å²	62	109.9 Å²	109.9	64%	0.639	69%	0.689	S	S	*	*			cis	-156.5	141.8	-11	0	0	0	0	0	108.8
151	S	28.4	Very low	29	Very low	112 Å²	112	110.7 Å²	110.7	78%	0.783	68%	0.68	S	S	*	*				60.1	97.9	73.8	-56.1	0	0	0	0	110.3
152	S	26	Very low	28.7	Very low	118 Å²	118	110.1 Å²	110.1	83%	0.825	68%	0.683	S	S	*	*				76.3	144	96.9	71.1	0	0	0	0	112.7
153	A	27.1	Very low	28.6	Very low	91 Å²	91	115.6 Å²	115.6	75%	0.752	69%	0.685	S	S	*	*			cis	-150.4	-164.3	7.9	0	0	0	0	0	107.2
154	S	28.7	Very low	28.7	Very low	98 Å²	98	113.2 Å²	113.2	69%	0.685	68%	0.677	S	S	*	*			cis	-151.7	137.8	1.1	-19.6	0	0	0	0	106.3
155	S	31.3	Very low	28.6	Very low	96 Å²	96	117.6 Å²	117.6	67%	0.671	69%	0.691	S	S	*	*				72.1	123.6	84.7	96.3	0	0	0	0	112.9
156	S	31.5	Very low	28.6	Very low	96 Å²	96	122.1 Å²	122.1	67%	0.671	71%	0.705	S	S	*	*				91.4	155.5	89.9	74	0	0	0	0	111.1
157	T	30.9	Very low	28.5	Very low	119 Å²	119	128.2 Å²	128.2	73%	0.73	73%	0.725	S	S	*	*			cis	-109.2	151.6	20.2	44.8	0	0	0	0	114
158	E	28.3	Very low	28.2	Very low	159 Å²	159	124.9 Å²	124.9	74%	0.743	71%	0.712	S	S	*	*				74.2	141	59.7	-120.1	154.1	-156.1	0	0	111.4
159	E	30.1	Very low	27.9	Very low	155 Å²	155	121.4 Å²	121.4	72%	0.724	70%	0.7	S	S	*	*			cis	-131.4	155.2	28.1	-70.8	-177.8	100.1	0	0	113.8
160	T	27.9	Very low	27.7	Very low	113 Å²	113	118.1 Å²	118.1	69%	0.693	68%	0.676	S	S	*	*				56.8	152.4	88.7	105.1	0	0	0	0	115.8
161	E	28.8	Very low	27.6	Very low	131 Å²	131	121.8 Å²	121.8	61%	0.612	68%	0.681	S	S	*	*			cis	-133.8	165.9	40.7	-159.3	-171.4	-179	0	0	113.6	R163	E161-R163 WeakPolarHBondContact OE1-CD 3.4Å; E161-R163 IonicContact OE1-CZ 2.61Å; E161-R163 IonicContact OE1-NH1 3.89Å; E161-R163 PolarHBondContact OE1-NH1 3.02Å
162	A	22.9	Very low	27.6	Very low	100 Å²	100	118.4 Å²	118.4	83%	0.826	65%	0.654	S	S	*	*			trans	-138.2	127.8	165	0	0	0	0	0	110.3
163	R	25.4	Very low	27.8	Very low	201 Å²	201	119.5 Å²	119.5	76%	0.758	65%	0.646	S	S	*	*			trans	-150.9	85	-167.6	-162.9	-176.1	-171	118.7	-6	115.5	E161	E161-R163 WeakPolarHBondContact OE1-CD 3.4Å; E161-R163 IonicContact OE1-CZ 2.61Å; E161-R163 IonicContact OE1-NH1 3.89Å; E161-R163 PolarHBondContact OE1-NH1 3.02Å
164	E	26.8	Very low	27.8	Very low	140 Å²	140	116.4 Å²	116.4	65%	0.654	62%	0.618	S	S	*	*			trans	-135.1	101.9	158.4	-75.6	-157.8	132.7	0	0	111.4	R612	E164-R612 IonicContact OE1-CZ 3.54Å; E164-R612 IonicContact OE1-NH1 2.69Å; E164-R612 PolarHBondContact OE1-NH1 2.72Å; E164-R612 IonicContact OE1-NH2 3.65Å; E164-R612 PolarHBondContact OE1-NH2 2.95Å; E164-R612 IonicContact OE2-CZ 2.58Å; E164-R612 IonicContact OE2-NH1 2.64Å; E164-R612 PolarHBondContact OE2-NH1 3.03Å
165	K	27.2	Very low	27.8	Very low	195 Å²	195	119.1 Å²	119.1	85%	0.848	62%	0.624	S	S	*	*			trans	-177.5	85.7	156.2	-108.1	168	-176.6	178.6	0	113.6
166	R	30	Very low	27.5	Very low	173 Å²	173	117.8 Å²	117.8	65%	0.653	61%	0.613	S	S	*	*			trans	-145.1	159.6	144.9	-77.3	-158.4	175.5	-179.1	-1.1	107.9
167	F	28.3	Very low	27.3	Very low	157 Å²	157	116.9 Å²	116.9	69%	0.689	61%	0.606	S	S	*	*			trans	-124	108.6	-154.3	-105.6	-84.1	0	0	0	114.8	S1783	F167-S1783 WeakPolarHBondContact O-CB 2.98Å
168	G	23.7	Very low	27	Very low	43 Å²	43	117.1 Å²	117.1	44%	0.443	61%	0.608	S	S	.	*			trans	-90.4	-8.6	-174.7	0	0	0	0	0	118.4
169	S	25	Very low	27	Very low	62 Å²	62	113.8 Å²	113.8	43%	0.434	61%	0.607	S	S	.	*			trans	59.8	48.3	172.4	-179.3	0	0	0	0	117.2	R1785	S169-R1785 PolarHBondContact OG-NH2 2.93Å
170	V	24.9	Very low	26.8	Very low	59 Å²	59	113.1 Å²	113.1	36%	0.358	61%	0.608	S	S	.	*			trans	-131.5	93.2	159.6	-176	0	0	0	0	110.1	L172 H562 C563	V170-L172 PolarHBondContact O-N 3.31Å; V170-H562 WeakPolarHBondContact CB-O 3.42Å; V170-H562 WeakPolarHBondContact CG1-O 3.17Å; V170-C563 HydrophobicContact CG1-CB 4.22Å
171	D	26.7	Very low	26.8	Very low	139 Å²	139	112.1 Å²	112.1	74%	0.743	60%	0.602	S	S	*	*			trans	-82.3	111.3	179	-62	-35.9	0	0	0	111.4
172	L	27.4	Very low	26.7	Very low	42 Å²	42	110.7 Å²	110.7	22%	0.22	61%	0.612	C	S	.	*			trans	-123.6	102.2	165.3	-83	170.7	0	0	0	110.1	V170 F549 C563 P566	V170-L172 PolarHBondContact O-N 3.31Å; L172-F549 HydrophobicContact CD1-CD1 4.13Å; L172-F549 HydrophobicContact CD1-CE1 3.77Å; L172-F549 HydrophobicContact CD1-CZ 4.02Å; L172-F549 HydrophobicContact CD2-CE1 4.22Å; L172-F549 HydrophobicContact CD2-CE2 4.48Å; L172-F549 HydrophobicContact CD2-CZ 3.8Å; L172-F549 HydrophobicContact CG-CE1 4.34Å; L172-F549 HydrophobicContact CG-CZ 4.41Å; L172-C563 HydrophobicContact CD1-CB 3.96Å; L172-P566 WeakPolarHBondContact O-CG 3.31Å
173	H	30.4	Very low	26.8	Very low	141 Å²	141	113.8 Å²	113.8	65%	0.653	61%	0.613	S	S	*	*			trans	-88.5	130.1	167.6	-83.2	-88	0	0	0	110.1
174	P	27.9	Very low	26.8	Very low	25 Å²	25	111.4 Å²	111.4	16%	0.162	61%	0.613	C	S	.	*			trans	-76.7	138.2	159.1	33.8	-27.1	0	0	0	108.2	P566 L608	P174-P566 HydrophobicContact CG-CB 4.1Å; P174-P566 HydrophobicContact CG-CG 4.18Å; P174-L608 HydrophobicContact CG-CD1 4.34Å
175	L	27.5	Very low	26.8	Very low	155 Å²	155	109.2 Å²	109.2	81%	0.812	61%	0.605	S	S	*	*			trans	-97.5	113.2	163.9	-78.4	173.7	0	0	0	108.3	S177	L175-S177 PolarHBondContact O-N 2.66Å
176	P	26.3	Very low	26.8	Very low	68 Å²	68	109.3 Å²	109.3	44%	0.442	61%	0.609	S	S	.	*			trans	-70.9	101.8	171	28.8	-32	0	0	0	109.1
177	S	26.8	Very low	26.5	Very low	77 Å²	77	105.5 Å²	105.5	54%	0.538	61%	0.614	S	S	.	*			trans	-100	10	-178.6	55.6	0	0	0	0	114.3	L175 A179	L175-S177 PolarHBondContact O-N 2.66Å; S177-A179 PolarHBondContact O-N 2.68Å
178	V	25.9	Very low	26.4	Very low	125 Å²	125	104.9 Å²	104.9	76%	0.758	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	56.2	169.9	-167.1	0	0	0	0	110.6
179	A	26.3	Very low	26.5	Very low	88 Å²	88	113.4 Å²	113.4	73%	0.727	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.5	-5.8	-179.4	0	0	0	0	0	114.4	S177	S177-A179 PolarHBondContact O-N 2.68Å
180	L	25.9	Very low	26.5	Very low	141 Å²	141	122.3 Å²	122.3	74%	0.738	66%	0.659	S	S	*	*	S	Bend	trans	-125.9	-5.4	-174.4	-138.8	77.6	0	0	0	116.5	A182	L180-A182 VanDerWaalsContact C-N 3.33Å; L180-A182 PolarHBondContact O-N 3.03Å
181	T	28.2	Very low	26.5	Very low	92 Å²	92	124.6 Å²	124.6	56%	0.564	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-7.4	-175.3	-38.6	0	0	0	0	114
182	A	26.5	Very low	26.4	Very low	101 Å²	101	124.8 Å²	124.8	84%	0.835	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-13.6	-175.4	0	0	0	0	0	115.4	L180	L180-A182 VanDerWaalsContact C-N 3.33Å; L180-A182 PolarHBondContact O-N 3.03Å
183	I	25.4	Very low	26.3	Very low	165 Å²	165	133.3 Å²	133.3	85%	0.846	71%	0.709	S	S	*	*	S	Bend	trans	-113.6	-11.8	-176.3	-66.4	179.3	0	0	0	112.4
184	M	25.6	Very low	26.1	Very low	152 Å²	152	131.4 Å²	131.4	75%	0.749	72%	0.717	S	S	*	*	S	Bend	trans	-100.2	6.5	-173.3	-143.1	163.7	-173.3	0	0	115.1
185	N	27.9	Very low	25.9	Very low	94 Å²	94	138.1 Å²	138.1	50%	0.503	75%	0.747	S	S	.	*	S	Bend	trans	-105.9	2.4	-171.8	-105	-51.7	0	0	0	116.1
186	Q	25.6	Very low	25.6	Very low	197 Å²	197	136 Å²	136	92%	0.921	75%	0.745	S	S	*	*	S	Bend	trans	-96.3	-3	178	-151.4	168	17.3	0	0	114
187	A	24.3	Very low	25.5	Very low	92 Å²	92	137.9 Å²	137.9	76%	0.76	76%	0.76	S	S	*	*	S	Bend	trans	-96.7	-13.3	-178.5	0	0	0	0	0	114.9
188	I	26.9	Very low	25.5	Very low	144 Å²	144	140.5 Å²	140.5	74%	0.738	77%	0.772	S	S	*	*	S	Bend	trans	-122.4	49	-173.2	-40.7	-177.5	0	0	0	111.7
189	R	25.6	Very low	25.4	Very low	222 Å²	222	142.4 Å²	142.4	84%	0.838	77%	0.773	S	S	*	*	S	Bend	trans	-139.7	32.9	169.1	-71.6	-162.1	178.3	-156.4	0	114
190	R	25	Very low	25.3	Very low	250 Å²	250	145.3 Å²	145.3	94%	0.943	78%	0.776	S	S	*	*	S	Bend	trans	-140.3	41.6	174.2	-82.6	-163.1	172.3	178.9	-1.6	115
191	S	24.4	Very low	25.4	Very low	107 Å²	107	143.6 Å²	143.6	75%	0.748	78%	0.782	S	S	*	*	S	Bend	trans	-160.7	164.4	158.9	54	0	0	0	0	109.9
192	L	24.6	Very low	25.1	Very low	142 Å²	142	146.8 Å²	146.8	74%	0.743	79%	0.791	S	S	*	*			trans	77.1	62.7	-177.1	-54.1	174.4	0	0	0	116.8
193	Y	24.5	Very low	25	Very low	221 Å²	221	149 Å²	149	87%	0.867	78%	0.784	S	S	*	*			trans	-143.8	89.8	140.5	-102	-71.3	0	0	0	108.7
194	A	26.1	Very low	25	Very low	101 Å²	101	147 Å²	147	84%	0.835	77%	0.774	S	S	*	*			trans	-167.6	126.1	167.1	0	0	0	0	0	107.1
195	E	23.9	Very low	24.9	Very low	167 Å²	167	146.3 Å²	146.3	78%	0.78	77%	0.769	S	S	*	*			trans	-103.2	160	-173.3	-65	178.6	122	0	0	112.5
196	S	22.9	Very low	24.7	Very low	109 Å²	109	150.2 Å²	150.2	76%	0.762	78%	0.778	S	S	*	*			trans	57.3	117.2	158.5	67.8	0	0	0	0	118.8
197	S	23.8	Very low	24.7	Very low	109 Å²	109	145.7 Å²	145.7	76%	0.762	77%	0.774	S	S	*	*				162.4	160.3	89.1	57.3	0	0	0	0	113.7
198	V	26.5	Very low	24.8	Very low	132 Å²	132	145.7 Å²	145.7	80%	0.8	77%	0.765	S	S	*	*			trans	57.9	104.8	165.9	-160.7	0	0	0	0	119.8
199	Q	23.5	Very low	24.8	Very low	164 Å²	164	146.2 Å²	146.2	77%	0.766	77%	0.768	S	S	*	*			trans	-4.8	141.8	144.4	-64.8	174.1	-13.5	0	0	121.3
200	N	25	Very low	24.9	Very low	150 Å²	150	142.8 Å²	142.8	80%	0.802	77%	0.766	S	S	*	*			trans	57.5	98	136	-57.7	-2.1	0	0	0	120.4
201	A	26.7	Very low	24.9	Very low	104 Å²	104	135.1 Å²	135.1	86%	0.86	76%	0.756	S	S	*	*				-144.4	146.7	112.1	0	0	0	0	0	109.6
202	E	23.3	Very low	25.1	Very low	160 Å²	160	134.7 Å²	134.7	75%	0.748	76%	0.759	S	S	*	*			trans	-90.6	170.8	-178	-61.2	-172.8	83.9	0	0	112.5
203	Q	23.6	Very low	25.3	Very low	148 Å²	148	135 Å²	135	69%	0.692	76%	0.756	S	S	*	*			trans	43.8	137.4	135.2	-70	179.5	59.8	0	0	119
204	L	24.4	Very low	25.6	Very low	122 Å²	122	132.4 Å²	132.4	64%	0.639	75%	0.749	S	S	*	*			cis	-169	-168.7	33.8	-161.4	57.5	0	0	0	109.9
205	Q	23.8	Very low	25.8	Very low	137 Å²	137	134 Å²	134	64%	0.64	74%	0.744	S	S	*	*			trans	82.1	149.3	150.7	-70.1	166.5	18.1	0	0	117.8
206	Y	24.2	Very low	26	Very low	177 Å²	177	135 Å²	135	69%	0.694	74%	0.742	S	S	*	*			cis	-140.2	132.9	-8.8	-121.4	-51.9	0	0	0	109.9
207	A	26	Very low	26.3	Very low	102 Å²	102	132.7 Å²	132.7	84%	0.843	74%	0.735	S	S	*	*			trans	-80	115.2	154.6	0	0	0	0	0	107.6
208	T	26.5	Very low	26.4	Very low	91 Å²	91	133.2 Å²	133.2	56%	0.558	73%	0.729	S	S	*	*			trans	-155.2	137.3	175	-65	0	0	0	0	109.6	L210	T208-L210 HydrophobicContact CG2-CD1 4.47Å
209	L	27.5	Very low	26.4	Very low	156 Å²	156	131.8 Å²	131.8	82%	0.817	73%	0.726	S	S	*	*			trans	143.2	130.2	148.7	-77.3	169.5	0	0	0	109.9
210	L	27	Very low	26.6	Very low	150 Å²	150	129 Å²	129	79%	0.785	72%	0.724	S	S	*	*			cis	-154.9	168.4	-25.1	-160.4	53.3	0	0	0	110.4	T208	T208-L210 HydrophobicContact CG2-CD1 4.47Å
211	A	25.7	Very low	26.7	Very low	89 Å²	89	128.1 Å²	128.1	74%	0.736	72%	0.724	S	S	*	*			trans	-67.3	158.2	-179.3	0	0	0	0	0	116.4
212	A	28.5	Very low	27.2	Very low	97 Å²	97	128 Å²	128	80%	0.802	72%	0.715	S	S	*	*			trans	-158.7	140	151.2	0	0	0	0	0	109.1
213	H	28.6	Very low	27.3	Very low	150 Å²	150	128 Å²	128	69%	0.694	72%	0.72	S	S	*	*			cis	-170.7	146.4	-18.8	-143.7	-167.3	0	0	0	109.8
214	K	29.1	Very low	27.6	Very low	166 Å²	166	128 Å²	128	72%	0.722	73%	0.725	S	S	*	*			trans	50.6	157.2	142.2	-73.6	-179.3	-178.5	-176.9	0	121.1
215	N	30.9	Very low	27.8	Very low	135 Å²	135	126.9 Å²	126.9	72%	0.722	72%	0.722	S	S	*	*			cis	-157.5	-176.4	14.3	-135.9	40.2	0	0	0	108.6
216	Y	29	Very low	27.9	Very low	186 Å²	186	128.5 Å²	128.5	73%	0.729	73%	0.727	S	S	*	*				-174.1	150.5	-57.8	178.6	-93.8	0	0	0	109.2	D218	Y216-D218 WeakPolarHBondContact CE1-OD1 3.29Å; Y216-D218 WeakPolarHBondContact CE1-OD2 3.32Å
217	G	27.9	Very low	27.8	Very low	61 Å²	61	128.2 Å²	128.2	63%	0.629	73%	0.734	S	S	*	*			trans	106.8	155.9	155.6	0	0	0	0	0	118
218	D	27	Very low	27.8	Very low	120 Å²	120	130.1 Å²	130.1	64%	0.642	73%	0.73	S	S	*	*			cis	-167	152.5	-9.1	-110.3	-38.7	0	0	0	113.7	Y216	Y216-D218 WeakPolarHBondContact CE1-OD1 3.29Å; Y216-D218 WeakPolarHBondContact CE1-OD2 3.32Å
219	S	26.6	Very low	27.9	Very low	103 Å²	103	132 Å²	132	72%	0.72	74%	0.742	S	S	*	*			trans	57.8	146.3	162.9	60.9	0	0	0	0	120.3
220	S	26.4	Very low	27.9	Very low	106 Å²	106	130.9 Å²	130.9	74%	0.741	74%	0.742	S	S	*	*			cis	88.5	148.1	15.4	89.9	0	0	0	0	116.8
221	V	28.2	Very low	28	Very low	130 Å²	130	129.5 Å²	129.5	79%	0.788	74%	0.742	S	S	*	*			cis	-130.4	-70.7	12.2	-161	0	0	0	0	117.8
222	P	37.3	Very low	27.9	Very low	103 Å²	103	130.3 Å²	130.3	67%	0.669	74%	0.737	S	S	*	*				-130	158.7	-129.4	40.2	-25.9	0	0	0	120.9
223	N	25.1	Very low	28	Very low	159 Å²	159	130.6 Å²	130.6	85%	0.85	73%	0.731	S	S	*	*			trans	65.9	103.4	149.1	-70.6	-11.1	0	0	0	122.5
224	D	29.2	Very low	28	Very low	149 Å²	149	130.1 Å²	130.1	80%	0.797	74%	0.739	S	S	*	*			trans	-148.5	130.4	138.9	-114.4	-23.7	0	0	0	106.5
225	V	28.3	Very low	28.2	Very low	98 Å²	98	127.8 Å²	127.8	59%	0.594	74%	0.741	S	S	*	*				73.7	125.2	85.8	159.8	0	0	0	0	114.6
226	K	26.5	Very low	28.1	Very low	171 Å²	171	131.3 Å²	131.3	74%	0.743	75%	0.75	S	S	*	*			cis	-155.6	129.9	-5.7	-103	169.9	-159.5	83.8	0	111.6
227	M	23.4	Very low	28.1	Very low	171 Å²	171	129.2 Å²	129.2	84%	0.842	75%	0.751	S	S	*	*				44.4	146.3	130	-75	-69.1	-172.2	0	0	124.1
228	N	25.8	Very low	28	Very low	142 Å²	142	132.5 Å²	132.5	76%	0.759	75%	0.754	S	S	*	*			trans	91.8	134.6	167.1	-57.1	-9.1	0	0	0	117.5
229	T	28.1	Very low	28.1	Very low	131 Å²	131	136 Å²	136	80%	0.804	76%	0.764	S	S	*	*			cis	-162	160.3	-17.5	14.7	0	0	0	0	110.6
230	T	26.4	Very low	28.3	Very low	131 Å²	131	136 Å²	136	80%	0.804	76%	0.759	S	S	*	*			trans	-79.4	-176.2	177.9	49.2	0	0	0	0	114
231	P	30.4	Very low	28.7	Very low	121 Å²	121	137.3 Å²	137.3	79%	0.786	76%	0.758	S	S	*	*			cis	-135	-163.4	7.2	42.1	-20.6	0	0	0	116
232	V	23.9	Very low	29.5	Very low	106 Å²	106	138.1 Å²	138.1	64%	0.642	76%	0.757	S	S	*	*			trans	-133.1	146.7	-167.4	-175.1	0	0	0	0	113.8
233	P	28.9	Very low	29	Very low	103 Å²	103	141.5 Å²	141.5	67%	0.669	77%	0.769	S	S	*	*			trans	-116.9	177.9	179.6	42.8	-34	0	0	0	116.4
234	T	29.3	Very low	29	Very low	140 Å²	140	138.2 Å²	138.2	86%	0.859	76%	0.758	S	S	*	*			trans	-131.6	-167.2	166.4	64	0	0	0	0	112.4
235	P	33.5	Very low	28.9	Very low	118 Å²	118	141.9 Å²	141.9	77%	0.766	76%	0.761	S	S	*	*				-88.8	170.8	-122.1	42.4	-33.9	0	0	0	117.1
236	K	28.5	Very low	28.8	Very low	209 Å²	209	143.1 Å²	143.1	91%	0.909	77%	0.769	S	S	*	*			trans	-157.4	155	167.4	-115	-175.5	-177.2	-174.7	0	114.2
237	N	29.8	Very low	29.4	Very low	141 Å²	141	139.8 Å²	139.8	75%	0.754	77%	0.765	S	S	*	*			trans	-71	147.4	174.7	-60.1	12.1	0	0	0	113.1
238	D	26	Very low	29.6	Very low	130 Å²	130	135.2 Å²	135.2	70%	0.695	75%	0.754	S	S	*	*				22.2	110.6	126.3	-37.2	-40.5	0	0	0	117.8
239	F	28.1	Very low	29.5	Very low	193 Å²	193	137.3 Å²	137.3	85%	0.846	76%	0.759	S	S	*	*				-170.6	144.3	87.1	-111	-95.4	0	0	0	110.5
240	V	31.8	Very low	29.4	Very low	103 Å²	103	135.3 Å²	135.3	62%	0.624	76%	0.756	S	S	*	*	S	Bend	trans	0.3	126.6	155.2	-178.1	0	0	0	0	116.3
241	N	33.6	Very low	29.3	Very low	134 Å²	134	136.5 Å²	136.5	72%	0.717	76%	0.757	S	S	*	*	S	Bend	cis	-151.7	122.5	17.3	-139.7	-17.6	0	0	0	113
242	L	46	Very low	29	Very low	147 Å²	147	136.9 Å²	136.9	77%	0.77	75%	0.751	S	S	*	*			cis	-142.2	97.6	-31.4	-111.4	177.7	0	0	0	104
243	L	26.3	Very low	29	Very low	174 Å²	174	138.7 Å²	138.7	91%	0.911	76%	0.757	S	S	*	*			trans	-91	173.7	-151.4	-92.6	169.4	0	0	0	116.8
244	S	25.6	Very low	28.8	Very low	91 Å²	91	139.4 Å²	139.4	64%	0.636	77%	0.765	S	S	*	*			trans	-102	154.4	-152	60.9	0	0	0	0	118.4
245	R	26.9	Very low	28.7	Very low	226 Å²	226	139 Å²	139	85%	0.853	76%	0.762	S	S	*	*			trans	82.8	143.2	138.9	-84.9	178.6	178.1	-163.3	0.2	123.2
246	T	26	Very low	28.7	Very low	124 Å²	124	138.6 Å²	138.6	76%	0.761	76%	0.759	S	S	*	*			trans	90.1	149.4	145.5	39.4	0	0	0	0	123.1
247	P	39.8	Very low	28.9	Very low	100 Å²	100	133.9 Å²	133.9	65%	0.649	75%	0.75	S	S	*	*			trans	-134.7	-175.2	-165.1	43.5	-24.4	0	0	0	117.4
248	A	26.2	Very low	28.7	Very low	76 Å²	76	131 Å²	131	63%	0.628	74%	0.741	S	S	*	*			trans	114.5	137.3	143.4	0	0	0	0	0	122.1
249	H	25.3	Very low	28.8	Very low	186 Å²	186	128.9 Å²	128.9	86%	0.861	73%	0.733	S	S	*	*			trans	52.2	113.1	153.3	-76.8	-73	0	0	0	125.3
250	A	25.1	Very low	28.8	Very low	88 Å²	88	127.9 Å²	127.9	73%	0.727	73%	0.73	S	S	*	*				80	110.7	118.8	0	0	0	0	0	124.6
251	N	24.1	Very low	28.5	Very low	157 Å²	157	127.1 Å²	127.1	84%	0.84	73%	0.729	S	S	*	*			trans	88.2	156.1	133.5	-152.2	14.9	0	0	0	121.2
252	I	24.6	Very low	28	Very low	129 Å²	129	126.6 Å²	126.6	66%	0.662	73%	0.731	S	S	*	*			trans	91.2	99.9	165.8	-52.7	178.1	0	0	0	119.3
253	N	23.6	Very low	27.1	Very low	143 Å²	143	124.7 Å²	124.7	77%	0.765	73%	0.73	S	S	*	*			trans	58.4	148.5	138.1	-58.7	-6.7	0	0	0	125.2
254	S	24.9	Very low	27.1	Very low	118 Å²	118	122.7 Å²	122.7	83%	0.825	72%	0.719	S	S	*	*			trans	74.9	149.5	162.2	78.1	0	0	0	0	117.4
255	V	27.1	Very low	27.3	Very low	133 Å²	133	126.6 Å²	126.6	81%	0.806	72%	0.724	S	S	*	*			cis	-159.8	160	-11.5	118.6	0	0	0	0	108.8
256	P	33.6	Very low	27.3	Very low	108 Å²	108	120.8 Å²	120.8	70%	0.701	71%	0.714	S	S	*	*			trans	-97	-161.4	-176.2	44	-40.3	0	0	0	112.4
257	P	32.2	Very low	27.4	Very low	110 Å²	110	121 Å²	121	71%	0.714	71%	0.711	S	S	*	*			cis	-139.5	174.7	-6.2	45.1	-27.4	0	0	0	117.5
258	S	26	Very low	26.6	Very low	82 Å²	82	123.4 Å²	123.4	57%	0.573	72%	0.717	S	S	*	*			trans	35.7	122.1	138.3	74.1	0	0	0	0	126.4
259	V	28.8	Very low	26.5	Very low	85 Å²	85	124.7 Å²	124.7	52%	0.515	72%	0.722	S	S	.	*			trans	65.1	148.5	142.4	-115.9	0	0	0	0	126.4	T1000	V259-T1000 WeakPolarHBondContact CG2-OG1 3.49Å
260	H	28	Very low	26.7	Very low	172 Å²	172	121.9 Å²	121.9	80%	0.796	71%	0.713	S	S	*	*			trans	69.5	146.5	155.6	-67.8	-60.8	0	0	0	120.2
261	S	24.3	Very low	26.8	Very low	87 Å²	87	123.4 Å²	123.4	61%	0.608	70%	0.704	S	S	*	*			cis	-170.4	145.3	-18.9	50.6	0	0	0	0	114.9
262	T	24.8	Very low	26.9	Very low	123 Å²	123	117.9 Å²	117.9	76%	0.755	68%	0.677	S	S	*	*			trans	65.5	144.9	143.5	53.2	0	0	0	0	124.2
263	S	25.9	Very low	27	Very low	106 Å²	106	115.8 Å²	115.8	74%	0.741	67%	0.665	S	S	*	*			trans	87.6	141.4	137.4	-79.2	0	0	0	0	121.3
264	I	26.7	Very low	27.3	Very low	133 Å²	133	115.8 Å²	115.8	68%	0.682	66%	0.664	S	S	*	*			cis	-170.3	166.7	-10.5	-147.6	169.5	0	0	0	113.4
265	K	28.6	Very low	27.2	Very low	172 Å²	172	117.4 Å²	117.4	75%	0.748	66%	0.663	S	S	*	*			trans	70.6	151.3	158.6	-78.7	172.7	-171.7	178.5	0	120.1
266	T	27.9	Very low	27.6	Very low	105 Å²	105	116.1 Å²	116.1	64%	0.644	66%	0.658	S	S	*	*			cis	-158.3	176.6	-22.3	15.4	0	0	0	0	108
267	D	27.7	Very low	27.2	Very low	128 Å²	128	117.3 Å²	117.3	68%	0.684	66%	0.657	S	S	*	*			cis	-147.8	139.2	35	-82.3	-60.2	0	0	0	110.8
268	L	24.3	Very low	26.9	Very low	150 Å²	150	120 Å²	120	79%	0.785	66%	0.66	S	S	*	*				56.1	135.3	96	-62.4	171.2	0	0	0	116.3
269	S	24.2	Very low	27	Very low	103 Å²	103	121.8 Å²	121.8	72%	0.72	66%	0.662	S	S	*	*			cis	-167.5	-169.2	-5.5	54.3	0	0	0	0	108.2
270	N	28.6	Very low	26.8	Very low	127 Å²	127	124.6 Å²	124.6	68%	0.679	67%	0.673	S	S	*	*			cis	-163.7	179.3	9.7	-164.1	5.3	0	0	0	110.6
271	F	26.4	Very low	26.8	Very low	121 Å²	121	121.4 Å²	121.4	53%	0.531	67%	0.667	S	S	.	*			trans	65.3	141.6	174.5	-69.2	-92.9	0	0	0	117	T805 V807	F271-T805 WeakPolarHBondContact O-CG2 3.47Å; F271-V807 HydrophobicContact CD1-CG2 3.54Å; F271-V807 HydrophobicContact CE1-CG2 3.66Å; F271-V807 HydrophobicContact CG-CG2 4.5Å
272	S	26.1	Very low	26.8	Very low	40 Å²	40	122 Å²	122	28%	0.28	66%	0.66	S	S	.	*			cis	-171.2	164.4	-10.7	166.5	0	0	0	0	109.9	N806	S272-N806 PolarHBondContact O-ND2 3.37Å
273	Q	27.9	Very low	26.9	Very low	86 Å²	86	124.2 Å²	124.2	40%	0.402	67%	0.668	S	S	.	*			trans	39.1	143.7	153.8	-71.1	168.6	-8.3	0	0	121.8
274	N	28.9	Very low	26.8	Very low	142 Å²	142	126.6 Å²	126.6	76%	0.759	67%	0.671	S	S	*	*			cis	-153.9	171.5	5.3	-118.8	-22.9	0	0	0	113.5
275	L	23.5	Very low	26.8	Very low	153 Å²	153	127 Å²	127	80%	0.801	66%	0.664	S	S	*	*			trans	-87.1	-169.4	-174.4	-114.4	76.9	0	0	0	113.8
276	P	35.4	Very low	27	Very low	106 Å²	106	121.2 Å²	121.2	69%	0.688	64%	0.644	S	S	*	*			cis	-147.1	165.2	20.3	20.7	9	0	0	0	122.9
277	L	25	Very low	26.9	Very low	132 Å²	132	122 Å²	122	69%	0.691	64%	0.635	S	S	*	*			trans	70.2	118.3	137.7	-65.4	165.3	0	0	0	126.5
278	Q	26.3	Very low	26.7	Very low	168 Å²	168	120.8 Å²	120.8	79%	0.785	63%	0.628	S	S	*	*			trans	58.7	169.2	133.3	-53.9	179.4	-2.3	0	0	120.7
279	I	28.1	Very low	26.8	Very low	119 Å²	119	120.8 Å²	120.8	61%	0.61	63%	0.627	S	S	*	*			cis	-139.9	149.2	8.8	-45.9	160.8	0	0	0	111.7
280	I	25.1	Very low	27	Very low	144 Å²	144	120.8 Å²	120.8	74%	0.738	63%	0.626	S	S	*	*			trans	-41.7	169.6	159.3	-51.6	147.4	0	0	0	113.8
281	P	26.8	Very low	27.4	Very low	104 Å²	104	118.9 Å²	118.9	68%	0.675	62%	0.621	S	S	*	*			cis	-111.5	172.2	-42.2	35.2	-21.6	0	0	0	112.1
282	H	25.5	Very low	27.2	Very low	100 Å²	100	119.5 Å²	119.5	46%	0.463	63%	0.628	S	S	.	*			trans	-138.7	93.7	163.7	-81.6	-84.2	0	0	0	112.7	W285	H282-W285 HydrophobicContact CB-CE3 4.5Å; H282-W285 AromaticContact CE1-CE3 3.9Å; H282-W285 AromaticContact CE1-CH2 3.34Å; H282-W285 WeakPolarHBondContact CE1-CH2 3.36Å; H282-W285 AromaticContact CE1-CZ2 3.72Å; H282-W285 AromaticContact CE1-CZ3 3.45Å; H282-W285 VanDerWaalsContact CE1-CZ3 3.45Å; H282-W285 WeakPolarHBondContact CE1-CZ3 3.45Å; H282-W285 AromaticContact CG-CZ3 3.8Å; H282-W285 AromaticContact ND1-CD2 3.87Å; H282-W285 AromaticContact ND1-CE3 3.4Å; H282-W285 AromaticContact ND1-CH2 3.73Å; H282-W285 AromaticContact ND1-CZ3 3.34Å; H282-W285 VanDerWaalsContact ND1-CZ3 3.34Å; H282-W285 WeakPolarHBondContact ND1-CZ3 3.27Å; H282-W285 AromaticContact NE2-CH2 3.85Å; H282-W285 AromaticContact NE2-CZ3 3.96Å
283	N	26.3	Very low	27.1	Very low	170 Å²	170	126 Å²	126	91%	0.909	65%	0.654	S	S	*	*	S	Bend	trans	-131.5	49.2	161.6	-110.5	-2.8	0	0	0	109.7
284	L	24.5	Very low	26.9	Very low	155 Å²	155	124.7 Å²	124.7	81%	0.812	66%	0.664	S	S	*	*			trans	-165.9	91.8	173.2	-109.3	163.3	0	0	0	108.2
285	W	25.8	Very low	26.7	Very low	143 Å²	143	125 Å²	125	54%	0.542	67%	0.666	S	S	.	*			trans	-140.1	111.9	171.4	-129.5	-31	0	0	0	111.9	H282 K774	H282-W285 HydrophobicContact CB-CE3 4.5Å; H282-W285 AromaticContact CE1-CE3 3.9Å; H282-W285 AromaticContact CE1-CH2 3.34Å; H282-W285 WeakPolarHBondContact CE1-CH2 3.36Å; H282-W285 AromaticContact CE1-CZ2 3.72Å; H282-W285 AromaticContact CE1-CZ3 3.45Å; H282-W285 VanDerWaalsContact CE1-CZ3 3.45Å; H282-W285 WeakPolarHBondContact CE1-CZ3 3.45Å; H282-W285 AromaticContact CG-CZ3 3.8Å; H282-W285 AromaticContact ND1-CD2 3.87Å; H282-W285 AromaticContact ND1-CE3 3.4Å; H282-W285 AromaticContact ND1-CH2 3.73Å; H282-W285 AromaticContact ND1-CZ3 3.34Å; H282-W285 VanDerWaalsContact ND1-CZ3 3.34Å; H282-W285 WeakPolarHBondContact ND1-CZ3 3.27Å; H282-W285 AromaticContact NE2-CH2 3.85Å; H282-W285 AromaticContact NE2-CZ3 3.96Å; W285-K774 HydrophobicContact CZ2-CD 4.3Å; W285-K774 HydrophobicContact CZ2-CG 4.05Å; W285-K774 VanDerWaalsContact NE1-CE 3.35Å
286	P	33.1	Very low	26.9	Very low	50 Å²	50	126 Å²	126	33%	0.325	67%	0.672	S	S	.	*			trans	-87.4	163.5	168.2	35.4	-34.7	0	0	0	112.2	E767	P286-E767 WeakPolarHBondContact CG-OE2 3.3Å
287	R	26	Very low	26.5	Very low	120 Å²	120	127.9 Å²	127.9	45%	0.453	68%	0.675	S	S	.	*	S	Bend	trans	38	140.6	150.3	-67.8	-174.9	170.4	-143.7	-9	121.3	K930 E935	R287-K930 PolarHBondContact NH1-O 3.34Å; R287-E935 IonicContact CZ-OE1 3.81Å; R287-E935 IonicContact CZ-OE2 3.55Å; R287-E935 IonicContact NH2-OE1 3.25Å; R287-E935 PolarHBondContact NH2-OE1 2.98Å; R287-E935 IonicContact NH2-OE2 2.78Å; R287-E935 PolarHBondContact NH2-OE2 3.4Å
288	L	23.1	Very low	26.6	Very low	103 Å²	103	128.6 Å²	128.6	54%	0.539	68%	0.679	S	S	.	*			trans	69.2	113.3	151.9	-66.9	151.3	0	0	0	119.3	K930	L288-K930 HydrophobicContact CD1-CB 4.05Å; L288-K930 HydrophobicContact CD1-CD 3.5Å; L288-K930 HydrophobicContact CD1-CG 4.38Å; L288-K930 HydrophobicContact CD2-CD 3.97Å; L288-K930 HydrophobicContact CG-CD 4.36Å
289	I	25.3	Very low	26.7	Very low	150 Å²	150	124.3 Å²	124.3	77%	0.769	67%	0.672	S	S	*	*			trans	-134.4	109.3	138.3	-60.6	-177.1	0	0	0	109.3
290	C	29.3	Very low	26.7	Very low	103 Å²	103	125 Å²	125	70%	0.696	67%	0.673	S	S	*	*				-102.5	164	114.4	-141.5	0	0	0	0	104.6
291	P	37.8	Very low	26.7	Very low	87 Å²	87	123.6 Å²	123.6	57%	0.565	66%	0.661	S	S	*	*			cis	-146.8	-152.4	13.4	38.6	-14.1	0	0	0	113.9
292	I	22.1	Very low	26.6	Very low	134 Å²	134	121.4 Å²	121.4	69%	0.687	65%	0.649	S	S	*	*			trans	79.8	115.5	143.1	-83.6	176.3	0	0	0	120.2
293	H	24	Very low	26.8	Very low	176 Å²	176	124.4 Å²	124.4	82%	0.815	66%	0.663	S	S	*	*			trans	70.1	156.4	143.4	-68.8	45.3	0	0	0	120.7
294	G	23	Very low	26.9	Very low	60 Å²	60	121.7 Å²	121.7	62%	0.619	65%	0.653	S	S	*	*			trans	-87.9	-154.1	164	0	0	0	0	0	111.4
295	D	24.7	Very low	26.8	Very low	149 Å²	149	121.4 Å²	121.4	80%	0.797	65%	0.651	S	S	*	*			cis	-136.9	154.3	11.2	-65.6	-53.4	0	0	0	111.4
296	N	28.8	Very low	26.8	Very low	173 Å²	173	119.3 Å²	119.3	93%	0.925	66%	0.657	S	S	*	*			trans	-97.4	100	160.6	-111.5	15.8	0	0	0	109.6
297	L	25.4	Very low	26.5	Very low	145 Å²	145	125.8 Å²	125.8	76%	0.759	68%	0.68	S	S	*	*			trans	-56.5	161.9	148.1	-59.5	165.3	0	0	0	108.8
298	L	26.9	Very low	26.5	Very low	148 Å²	148	131.6 Å²	131.6	78%	0.775	70%	0.702	S	S	*	*			cis	-156.3	178.7	16.4	-161.2	69.9	0	0	0	109.6
299	A	29.1	Very low	26.7	Very low	77 Å²	77	135.7 Å²	135.7	64%	0.636	72%	0.715	S	S	*	*			trans	69	112.5	167	0	0	0	0	0	116.6
300	Q	27.2	Very low	26.8	Very low	134 Å²	134	133.9 Å²	133.9	63%	0.626	71%	0.707	S	S	*	*				84.8	130.6	55.6	-65.5	176.3	-64.7	0	0	113.4	G795	Q300-G795 VanDerWaalsContact CG-O 3.22Å; Q300-G795 WeakPolarHBondContact CG-O 3.49Å; Q300-G795 PolarHBondContact NE2-O 3.05Å
301	F	25.4	Very low	26.6	Very low	115 Å²	115	135.4 Å²	135.4	50%	0.504	71%	0.709	S	S	.	*			cis	-152.8	-36.8	11.1	-128	143.2	0	0	0	120.6	G795 C796 D797	F301-G795 WeakPolarHBondContact CD1-O 3.26Å; F301-G795 WeakPolarHBondContact CD2-O 3.44Å; F301-G795 WeakPolarHBondContact CE1-O 3.27Å; F301-G795 WeakPolarHBondContact CE2-O 3.41Å; F301-G795 WeakPolarHBondContact CG-O 3.46Å; F301-G795 WeakPolarHBondContact CZ-O 3.48Å; F301-C796 VanDerWaalsContact CB-CA 3.48Å; F301-C796 HydrophobicContact CD1-CB 4.33Å; F301-C796 WeakPolarHBondContact CD1-O 3.5Å; F301-C796 HydrophobicContact CG-CB 4.17Å; F301-D797 VanDerWaalsContact CD1-N 3.35Å
302	S	26.3	Very low	26.3	Very low	58 Å²	58	138.3 Å²	138.3	41%	0.406	72%	0.718	S	S	.	*			trans	-133.4	171.2	-144.1	-136	0	0	0	0	116.5	C796 D797	S302-C796 PolarHBondContact OG-SG 2.98Å; S302-C796 VanDerWaalsContact OG-SG 3.35Å; S302-D797 VanDerWaalsContact CB-CG 3.45Å; S302-D797 WeakPolarHBondContact CB-OD1 3.43Å; S302-D797 WeakPolarHBondContact CB-OD2 3.43Å; S302-D797 PolarHBondContact OG-OD2 3.45Å
303	Q	29.6	Very low	26.5	Very low	163 Å²	163	135.8 Å²	135.8	76%	0.762	71%	0.712	S	S	*	*			cis	-142.8	-157.5	-3.5	-151.7	165.8	92.9	0	0	111.1	D797	Q303-D797 PolarHBondContact NE2-OD2 3.23Å
304	T	27.1	Very low	26.5	Very low	113 Å²	113	135.8 Å²	135.8	69%	0.693	71%	0.713	S	S	*	*			trans	-110.3	157.6	-150.1	33.3	0	0	0	0	120.8
305	L	24	Very low	26.7	Very low	149 Å²	149	138.2 Å²	138.2	78%	0.78	72%	0.715	S	S	*	*			trans	82.4	135.3	142.7	-80	161.7	0	0	0	124.2
306	C	24.4	Very low	26.8	Very low	99 Å²	99	137.7 Å²	137.7	67%	0.669	71%	0.712	S	S	*	*			trans	70.5	139.7	152.6	-76.3	0	0	0	0	119
307	K	27.5	Very low	26.6	Very low	186 Å²	186	134.2 Å²	134.2	81%	0.809	70%	0.702	S	S	*	*			cis	-169.7	166.2	25.3	-122	157.5	-168	166.7	0	111.7
308	R	26.6	Very low	26.5	Very low	242 Å²	242	133 Å²	133	91%	0.913	69%	0.692	S	S	*	*			trans	70.5	123.2	176.6	-59.5	179.7	-179.3	168.9	0.7	114
309	K	25.9	Very low	26.4	Very low	188 Å²	188	127.8 Å²	127.8	82%	0.817	66%	0.664	S	S	*	*			cis	78.8	137	19.4	-148.4	-158.6	173.9	-173.5	0	115.2
310	N	27.6	Very low	26.1	Very low	113 Å²	113	130.4 Å²	130.4	60%	0.604	66%	0.663	S	S	*	*			trans	74.7	125.2	179.5	-71.4	65	0	0	0	114.4
311	D	26.4	Very low	25.8	Very low	135 Å²	135	131.6 Å²	131.6	72%	0.722	67%	0.671	S	S	*	*			cis	-145.4	176.2	-12.1	-76.4	-51.4	0	0	0	106.9
312	I	30.5	Very low	25.7	Very low	148 Å²	148	130.5 Å²	130.5	76%	0.759	68%	0.677	S	S	*	*			cis	-153.1	163.9	17.7	-164	162.1	0	0	0	111.1
313	S	25.9	Very low	25.6	Very low	81 Å²	81	134.4 Å²	134.4	57%	0.566	69%	0.693	S	S	*	*			trans	37.9	109.1	161	65	0	0	0	0	120.9
314	E	25.4	Very low	25.2	Very low	176 Å²	176	135.9 Å²	135.9	82%	0.822	70%	0.698	S	S	*	*				45.3	133.7	99.1	-65	171.3	168.4	0	0	119.6
315	T	26.3	Very low	25.2	Very low	110 Å²	110	135.2 Å²	135.2	68%	0.675	70%	0.695	S	S	*	*			cis	-162	160.4	-11	2.1	0	0	0	0	111.9
316	D	26.1	Very low	25.1	Very low	138 Å²	138	134.2 Å²	134.2	74%	0.738	70%	0.695	S	S	*	*			trans	63.7	114.6	145.1	-57.6	-21.1	0	0	0	124.3
317	S	25	Very low	25.2	Very low	100 Å²	100	137.4 Å²	137.4	70%	0.699	71%	0.705	S	S	*	*			trans	89.7	98.7	131.4	68.7	0	0	0	0	121.3
318	E	23.1	Very low	24.9	Very low	119 Å²	119	132.8 Å²	132.8	56%	0.556	70%	0.696	S	S	*	*				21.8	137.5	111.6	-90.6	-163.4	-139.4	0	0	119.1	M2042 N2043	E318-M2042 CarbonylContact C-O 3.48Å; E318-N2043 PolarHBondContact O-ND2 3.02Å
319	Q	24.3	Very low	24.8	Very low	40 Å²	40	127.2 Å²	127.2	19%	0.187	69%	0.689	C	S	.	*			cis	-147.4	175.3	15.1	-57.5	-171.6	-39.6	0	0	116.3	M2042 N2043 K2044	Q319-M2042 HydrophobicContact CB-CB 4Å; Q319-M2042 WeakPolarHBondContact CB-O 2.77Å; Q319-M2042 WeakPolarHBondContact CG-O 3.01Å; Q319-M2042 PolarHBondContact N-O 2.97Å; Q319-M2042 VanDerWaalsContact N-O 3.14Å; Q319-N2043 VanDerWaalsContact CD-CA 3.43Å; Q319-N2043 VanDerWaalsContact OE1-N 3.13Å; Q319-K2044 VanDerWaalsContact CD-N 3.35Å
320	Q	23.3	Very low	24.9	Very low	131 Å²	131	127.4 Å²	127.4	61%	0.612	69%	0.69	S	S	*	*			trans	73	164.8	136.7	-88.7	177.3	16.5	0	0	121.9	M2042	Q320-M2042 HydrophobicContact CB-CB 4.37Å; Q320-M2042 HydrophobicContact CB-CE 4.06Å; Q320-M2042 HydrophobicContact CB-CG 3.84Å; Q320-M2042 HydrophobicContact CB-SD 3.76Å
321	M	22.3	Very low	24.9	Very low	160 Å²	160	127.8 Å²	127.8	79%	0.788	69%	0.692	S	S	*	*			trans	-97.4	149	-173.9	-60.6	153.2	63.3	0	0	108.9	M2042	M321-M2042 WeakPolarHBondContact O-CE 3.48Å
322	S	21.9	Very low	24.8	Very low	92 Å²	92	129.4 Å²	129.4	64%	0.643	70%	0.695	S	S	*	*				-171.8	146.4	51.4	51.6	0	0	0	0	112.7
323	N	23.7	Very low	24.4	Very low	139 Å²	139	131.1 Å²	131.1	74%	0.743	70%	0.7	S	S	*	*			trans	179.8	131.1	131.5	-96.8	-30.3	0	0	0	113.4
324	F	22.4	Very low	24.3	Very low	194 Å²	194	132.4 Å²	132.4	85%	0.851	71%	0.709	S	S	*	*			trans	56.7	160.9	150	-77.2	-94.5	0	0	0	120.6
325	P	26.5	Very low	24.2	Very low	99 Å²	99	131.2 Å²	131.2	64%	0.643	71%	0.707	S	S	*	*			trans	-103.5	165.4	-166.4	40.2	-34.7	0	0	0	114.1
326	V	22.4	Very low	24.1	Very low	128 Å²	128	133.5 Å²	133.5	78%	0.776	71%	0.712	S	S	*	*			trans	58.2	99.6	143.2	168.9	0	0	0	0	114.3
327	L	25.6	Very low	24	Very low	167 Å²	167	133 Å²	133	87%	0.874	71%	0.71	S	S	*	*				-167.9	167	63.5	-113.6	157.3	0	0	0	112.5
328	S	22.5	Very low	24	Very low	89 Å²	89	134.8 Å²	134.8	62%	0.622	71%	0.709	S	S	*	*			trans	-104.3	136.8	179.5	59.2	0	0	0	0	114
329	T	24.8	Very low	24.1	Very low	124 Å²	124	135.2 Å²	135.2	76%	0.761	72%	0.72	S	S	*	*			trans	69	151.3	167.2	80.7	0	0	0	0	116.1
330	K	28	Very low	24.1	Very low	193 Å²	193	137.6 Å²	137.6	84%	0.839	74%	0.742	S	S	*	*			cis	-134	150.1	13.4	-68.7	175.8	179.3	-180	0	114.1
331	N	26.4	Very low	24.1	Very low	121 Å²	121	136.7 Å²	136.7	65%	0.647	75%	0.75	S	S	*	*			trans	-21	158.1	138.5	-58.9	47.3	0	0	0	115.9
332	E	24.6	Very low	24.2	Very low	169 Å²	169	133.6 Å²	133.6	79%	0.79	74%	0.744	S	S	*	*			cis	-168.6	176.3	-7.7	-111.7	160.6	164.2	0	0	109
333	Q	22.2	Very low	24.3	Very low	184 Å²	184	134.4 Å²	134.4	86%	0.86	75%	0.745	S	S	*	*			trans	-98.3	148.4	152.5	-64.7	-179.7	-28	0	0	107.2
334	S	23.8	Very low	24.4	Very low	108 Å²	108	135.8 Å²	135.8	76%	0.755	75%	0.752	S	S	*	*			cis	-168.8	-173.4	41.3	-166.9	0	0	0	0	112.3
335	L	22.7	Very low	24.5	Very low	150 Å²	150	132.9 Å²	132.9	79%	0.785	74%	0.741	S	S	*	*			trans	90.3	141.1	159.1	-64.8	168.3	0	0	0	121.6
336	M	25.3	Very low	24.5	Very low	158 Å²	158	136.9 Å²	136.9	78%	0.778	75%	0.751	S	S	*	*			trans	72.7	85.8	160.7	-62.9	-58.3	-176.5	0	0	122
337	N	24.2	Very low	24.7	Very low	129 Å²	129	136.3 Å²	136.3	69%	0.69	75%	0.752	S	S	*	*				48.2	105.9	113.6	-72.5	6	0	0	0	123.1
338	I	24.8	Very low	24.6	Very low	136 Å²	136	137.9 Å²	137.9	70%	0.697	75%	0.752	S	S	*	*				76.1	151.6	106.1	-72.4	167.2	0	0	0	121.5
339	T	24.7	Very low	24.7	Very low	128 Å²	128	141.6 Å²	141.6	79%	0.785	76%	0.76	S	S	*	*			trans	78.9	138.2	164	41.2	0	0	0	0	120.9
340	S	23.9	Very low	24.8	Very low	91 Å²	91	141.6 Å²	141.6	64%	0.636	76%	0.755	S	S	*	*			cis	-178	160.9	-27.5	48.5	0	0	0	0	112.5
341	S	23.7	Very low	24.7	Very low	111 Å²	111	139.2 Å²	139.2	78%	0.776	74%	0.742	S	S	*	*			trans	72.2	155.7	146.2	-71.1	0	0	0	0	119.8
342	S	23.8	Very low	24.5	Very low	96 Å²	96	136.1 Å²	136.1	67%	0.671	73%	0.725	S	S	*	*			cis	-165.7	136.3	-11.9	43.5	0	0	0	0	113.7
343	T	23.6	Very low	24.5	Very low	108 Å²	108	131.6 Å²	131.6	66%	0.663	71%	0.706	S	S	*	*			trans	18.8	135.2	138.4	60.6	0	0	0	0	122.3	E345	T343-E345 WeakPolarHBondContact CB-OE1 3.5Å; T343-E345 WeakPolarHBondContact CB-OE2 3.22Å
344	L	27.3	Very low	24.6	Very low	169 Å²	169	127.4 Å²	127.4	89%	0.885	69%	0.69	S	S	*	*			trans	-164.6	157.8	157.2	-113.6	168	0	0	0	110.5
345	E	24.7	Very low	24.7	Very low	132 Å²	132	125.9 Å²	125.9	62%	0.617	67%	0.67	S	S	*	*				-147.7	-171.5	-116.4	-104	79	-102.6	0	0	112.2	T343	T343-E345 WeakPolarHBondContact CB-OE1 3.5Å; T343-E345 WeakPolarHBondContact CB-OE2 3.22Å
346	E	25.8	Very low	24.8	Very low	184 Å²	184	121.9 Å²	121.9	86%	0.86	66%	0.655	S	S	*	*			trans	86.8	149.6	167.3	-57.4	-165.8	136.4	0	0	121.6
347	S	26.9	Very low	24.9	Very low	115 Å²	115	118.1 Å²	118.1	80%	0.804	64%	0.644	S	S	*	*			trans	61.2	129.7	177.7	65.6	0	0	0	0	117.2
348	K	22.4	Very low	25	Very low	201 Å²	201	117.7 Å²	117.7	87%	0.874	64%	0.637	S	S	*	*			cis	70.6	98.4	28.1	-62.4	-169.9	175.2	-175.8	0	116.5
349	Q	24.6	Very low	25	Very low	167 Å²	167	117 Å²	117	78%	0.78	63%	0.63	S	S	*	*				-172.6	159.1	113.3	-103.7	-172.6	-94.6	0	0	113.6
350	D	27.3	Very low	25	Very low	123 Å²	123	115 Å²	115	66%	0.658	63%	0.626	S	S	*	*			trans	48	113.3	159.3	-48.9	-5.3	0	0	0	119.2
351	Y	24.9	Very low	25	Very low	144 Å²	144	117.1 Å²	117.1	57%	0.565	63%	0.63	S	S	*	*				73.4	95.9	70.8	-90.6	-122.9	0	0	0	116.2	D27 E28	D27-Y351 HydrophobicContact CB-CE1 3.96Å; D27-Y351 WeakPolarHBondContact OD2-CD1 3.5Å; D27-Y351 VanDerWaalsContact OD2-CE1 3.31Å; D27-Y351 WeakPolarHBondContact OD2-CE1 3.46Å; E28-Y351 HydrophobicContact CG-CE2 4.29Å; E28-Y351 WeakPolarHBondContact CG-OH 3.48Å; E28-Y351 WeakPolarHBondContact OE1-CE2 3.5Å; E28-Y351 VanDerWaalsContact OE1-CZ 3.28Å; E28-Y351 PolarHBondContact OE1-OH 3.39Å
352	N	23.6	Very low	24.9	Very low	55 Å²	55	118.8 Å²	118.8	29%	0.294	63%	0.63	S	S	.	*				66.8	172.3	127.9	-154.6	7.2	0	0	0	119.5	Q26 D27	Q26-N352 PolarHBondContact NE2-OD1 2.7Å; D27-N352 WeakPolarHBondContact OD1-CB 3.27Å; D27-N352 PolarHBondContact OD1-ND2 3Å; D27-N352 PolarHBondContact OD2-ND2 3.31Å
353	N	24	Very low	24.9	Very low	74 Å²	74	119 Å²	119	40%	0.396	64%	0.637	S	S	.	*			trans	50.2	128.5	151.3	-79.5	-21.4	0	0	0	118.3	Q26	Q26-N353 PolarHBondContact NE2-OD1 3Å
354	N	25.2	Very low	24.9	Very low	96 Å²	96	119.7 Å²	119.7	51%	0.513	64%	0.641	S	S	.	*			cis	-174.6	148.1	31.2	-128.1	-27.6	0	0	0	114.7	M24	M24-N354 VanDerWaalsContact CE-OD1 3.32Å; M24-N354 WeakPolarHBondContact CE-OD1 3.41Å
355	H	25.8	Very low	24.8	Very low	76 Å²	76	118.3 Å²	118.3	35%	0.352	63%	0.634	S	S	.	*			trans	60.8	136.2	139.8	-88.8	-134.5	0	0	0	121.9	Q23 M24 T56	Q23-H355 PolarHBondContact NE2-NE2 3.48Å; Q23-H355 PolarHBondContact OE1-CE1 3.4Å; M24-H355 PolarHBondContact SD-CE1 2.9Å; M24-H355 PolarHBondContact SD-NE2 3.16Å; T56-H355 PolarHBondContact O-CE1 3.04Å; T56-H355 PolarHBondContact O-ND1 3.47Å; T56-H355 VanDerWaalsContact O-ND1 3.14Å
356	S	24.3	Very low	24.9	Very low	67 Å²	67	117.7 Å²	117.7	47%	0.469	64%	0.639	S	S	.	*			cis	111.4	113.4	21.7	-79.7	0	0	0	0	111.7	T56	T56-S356 WeakPolarHBondContact CA-O 3.17Å
357	S	26.8	Very low	25	Very low	78 Å²	78	112.9 Å²	112.9	55%	0.545	63%	0.631	S	S	.	*			trans	175.1	117.2	149.9	-72.5	0	0	0	0	107.5	T56	T56-S357 VanDerWaalsContact CA-OG 3.26Å; T56-S357 WeakPolarHBondContact CA-OG 2.12Å; T56-S357 WeakPolarHBondContact CB-OG 3.12Å; T56-S357 WeakPolarHBondContact CG2-OG 3.28Å
358	K	26.8	Very low	24.9	Very low	121 Å²	121	112.6 Å²	112.6	53%	0.526	63%	0.626	S	S	.	*			cis	74.9	123.6	17.2	-93	-157.1	179.2	-165	0	117.8	S53 L55 T56	S53-K358 PolarHBondContact OG-NZ 3.4Å; L55-K358 HydrophobicContact CB-CD 4.46Å; L55-K358 HydrophobicContact CD1-CD 4.26Å; L55-K358 HydrophobicContact CD2-CB 4.06Å; L55-K358 HydrophobicContact CD2-CD 3.85Å; L55-K358 HydrophobicContact CG-CB 4.23Å; L55-K358 HydrophobicContact CG-CD 3.51Å; L55-K358 HydrophobicContact CG-CG 4.5Å; T56-K358 HydrophobicContact CG2-CB 3.82Å; T56-K358 WeakPolarHBondContact CG2-O 3.2Å
359	Q	24.1	Very low	25.1	Very low	120 Å²	120	108.7 Å²	108.7	56%	0.561	62%	0.619	S	S	*	*			trans	68.2	144.9	-177.7	-64.2	174.4	-37.8	0	0	113.8	L55	L55-Q359 HydrophobicContact CD2-CG 3.62Å
360	A	24.9	Very low	25.3	Very low	86 Å²	86	106.8 Å²	106.8	71%	0.711	62%	0.621	S	S	*	*			cis	-133.5	145.1	23.6	0	0	0	0	0	112.8
361	I	23.5	Very low	25.3	Very low	137 Å²	137	104 Å²	104	70%	0.703	62%	0.621	S	S	*	*				78	119.5	86.7	-58.4	171.5	0	0	0	115.8
362	N	22.9	Very low	25.4	Very low	146 Å²	146	103.5 Å²	103.5	78%	0.781	63%	0.633	S	S	*	*			trans	38.3	124.5	154.4	-60	1.7	0	0	0	123.1
363	A	24.3	Very low	25.4	Very low	100 Å²	100	106.1 Å²	106.1	83%	0.826	66%	0.656	S	S	*	*			trans	7.9	111.7	136.3	0	0	0	0	0	118.5
364	T	23.1	Very low	25.5	Very low	122 Å²	122	107 Å²	107	75%	0.748	66%	0.664	S	S	*	*			trans	-163.2	122.1	159.3	-86.4	0	0	0	0	109.8
365	I	24	Very low	25.4	Very low	141 Å²	141	107 Å²	107	72%	0.723	66%	0.657	S	S	*	*			trans	46.4	143.3	135.6	-47.4	175.9	0	0	0	119.6
366	T	27.1	Very low	25.3	Very low	119 Å²	119	104.7 Å²	104.7	73%	0.73	65%	0.654	S	S	*	*			trans	62.1	116.9	162.8	38.6	0	0	0	0	119.2
367	A	27.6	Very low	25.3	Very low	83 Å²	83	108.3 Å²	108.3	69%	0.686	67%	0.665	S	S	*	*				-66.6	145.2	129.5	0	0	0	0	0	108.7
368	P	25.3	Very low	25.5	Very low	109 Å²	109	110.5 Å²	110.5	71%	0.708	68%	0.677	S	S	*	*				-126.8	157.2	95.4	41.9	-35.6	0	0	0	111.3
369	V	27.9	Very low	25.3	Very low	119 Å²	119	110.7 Å²	110.7	72%	0.721	69%	0.689	S	S	*	*			cis	67.6	137.1	42.6	-177.5	0	0	0	0	109.4
370	P	27.6	Very low	25.2	Very low	126 Å²	126	113 Å²	113	82%	0.818	70%	0.703	S	S	*	*			cis	-106.1	171	19.2	40	-31.7	0	0	0	114.9
371	G	26.7	Very low	25.1	Very low	65 Å²	65	112.3 Å²	112.3	67%	0.67	71%	0.705	S	S	*	*			cis	165.6	170.9	-1.3	0	0	0	0	0	110.1
372	T	27.2	Very low	25	Very low	133 Å²	133	116.9 Å²	116.9	82%	0.816	72%	0.715	S	S	*	*			cis	-162.3	156.9	5.3	-30.5	0	0	0	0	110.8
373	S	25.2	Very low	25	Very low	110 Å²	110	114.5 Å²	114.5	77%	0.769	71%	0.71	S	S	*	*			trans	82.3	154.6	148.5	-150.4	0	0	0	0	120.8
374	V	25.5	Very low	25	Very low	93 Å²	93	115.9 Å²	115.9	56%	0.564	70%	0.703	S	S	*	*				-170.5	139	-57.6	118.5	0	0	0	0	115.2
375	Y	23.3	Very low	25.1	Very low	97 Å²	97	116.5 Å²	116.5	38%	0.38	70%	0.702	S	S	.	*			trans	58.9	147.4	154.4	-59.1	-173.4	0	0	0	125.8	K76 P77 I78 H80	K76-Y375 CarbonylContact C-O 3.46Å; K76-Y375 WeakPolarHBondContact CA-O 3.49Å; K76-Y375 WeakPolarHBondContact CB-O 3.1Å; K76-Y375 WeakPolarHBondContact CG-O 3.07Å; P77-Y375 WeakPolarHBondContact CD-O 3.34Å; P77-Y375 VanDerWaalsContact N-C 3.28Å; I78-Y375 CarbonylContact O-C 3.04Å; I78-Y375 WeakPolarHBondContact O-CA 3.49Å; I78-Y375 WeakPolarHBondContact O-CB 3.39Å; H80-Y375 HydrophobicContact CB-CD1 4.11Å; H80-Y375 HydrophobicContact CB-CD2 4.23Å; H80-Y375 HydrophobicContact CB-CE1 3.5Å; H80-Y375 VanDerWaalsContact CB-CE1 3.5Å; H80-Y375 HydrophobicContact CB-CE2 3.68Å; H80-Y375 HydrophobicContact CB-CG 4.48Å; H80-Y375 WeakPolarHBondContact CB-OH 3.41Å; H80-Y375 AromaticContact CD2-CD2 3.42Å; H80-Y375 VanDerWaalsContact CD2-CD2 3.42Å; H80-Y375 WeakPolarHBondContact CD2-CD2 3.32Å; H80-Y375 AromaticContact CD2-CE2 2.98Å; H80-Y375 WeakPolarHBondContact CD2-CE2 3.45Å; H80-Y375 AromaticContact CD2-CZ 3.58Å; H80-Y375 AromaticContact CE1-CE2 3.9Å; H80-Y375 AromaticContact CG-CE2 3.32Å; H80-Y375 AromaticContact CG-CZ 3.36Å; H80-Y375 AromaticContact ND1-CE2 3.87Å; H80-Y375 AromaticContact ND1-CZ 3.83Å; H80-Y375 PolarHBondContact ND1-OH 3.43Å; H80-Y375 AromaticContact NE2-CE2 3.4Å; H80-Y375 WeakPolarHBondContact NE2-CE2 3.47Å
376	G	24	Very low	25.2	Very low	27 Å²	27	116 Å²	116	28%	0.278	71%	0.705	S	S	.	*				125	32.9	125.4	0	0	0	0	0	126	K76 I78	K76-G376 WeakPolarHBondContact CB-O 3.16Å; I78-G376 PolarHBondContact O-N 2.91Å
377	M	23.9	Very low	25.1	Very low	143 Å²	143	114.2 Å²	114.2	70%	0.704	70%	0.697	S	S	*	*			trans	-5.5	143.4	168	-111.3	164.4	-177.9	0	0	120.3	P77	P77-M377 VanDerWaalsContact C-N 3.33Å; P77-M377 WeakPolarHBondContact O-CA 3.39Å; P77-M377 VanDerWaalsContact O-CB 3.29Å; P77-M377 WeakPolarHBondContact O-CB 3.09Å; P77-M377 WeakPolarHBondContact O-CG 3.34Å; P77-M377 PolarHBondContact O-N 3.36Å
378	P	29.8	Very low	25.1	Very low	123 Å²	123	118.7 Å²	118.7	80%	0.799	70%	0.704	S	S	*	*				-145	-100.9	69.8	37.2	-15.2	0	0	0	118.4
379	T	23.4	Very low	25	Very low	126 Å²	126	118.1 Å²	118.1	77%	0.773	70%	0.702	S	S	*	*			trans	-151.3	160.6	-153.8	-36.4	0	0	0	0	115.1
380	I	22	Very low	24.9	Very low	167 Å²	167	118.9 Å²	118.9	86%	0.856	70%	0.703	S	S	*	*			trans	97.3	119.3	160.1	-52	178.9	0	0	0	118.1
381	G	23.8	Very low	24.9	Very low	72 Å²	72	119 Å²	119	74%	0.742	70%	0.696	S	S	*	*			trans	167.5	142.9	167.8	0	0	0	0	0	112.7
382	Y	20.5	Very low	25	Very low	234 Å²	234	122.8 Å²	122.8	92%	0.918	70%	0.701	S	S	*	*			trans	-114.6	157	-171.4	-88.4	-102.8	0	0	0	114.7
383	S	22.3	Very low	25.1	Very low	96 Å²	96	123.6 Å²	123.6	67%	0.671	70%	0.7	S	S	*	*			trans	116.3	102	136.5	-151	0	0	0	0	121
384	N	24.1	Very low	25.4	Very low	129 Å²	129	125 Å²	125	69%	0.69	71%	0.705	S	S	*	*				75	99.7	125.1	-62.8	-2.9	0	0	0	125.7
385	N	25.1	Very low	25.9	Very low	134 Å²	134	127.5 Å²	127.5	72%	0.717	72%	0.72	S	S	*	*				83.3	124.1	103.3	-66.7	-5.3	0	0	0	126.3
386	V	26.2	Very low	26.5	Very low	131 Å²	131	129.3 Å²	129.3	79%	0.794	73%	0.732	S	S	*	*				79.1	142.5	124.3	172.8	0	0	0	0	118.8
387	S	25.4	Very low	27.2	Very low	81 Å²	81	133.9 Å²	133.9	57%	0.566	76%	0.756	S	S	*	*			cis	-155.1	152.8	11.5	26.2	0	0	0	0	116
388	E	27.1	Very low	28.3	Very low	178 Å²	178	133.1 Å²	133.1	83%	0.832	76%	0.755	S	S	*	*			trans	61.8	164.4	133.5	-60.1	169.9	153.4	0	0	122
389	S	25.2	Very low	29.8	Very low	96 Å²	96	129.9 Å²	129.9	67%	0.671	74%	0.744	S	S	*	*			cis	-151.4	156.1	17.6	-28.5	0	0	0	0	117.5
390	N	25.4	Very low	32.2	Very low	136 Å²	136	128.2 Å²	128.2	73%	0.727	74%	0.736	S	S	*	*			trans	84.2	111.9	139	-68.8	0.2	0	0	0	125.9
391	N	26.5	Very low	35.4	Very low	127 Å²	127	125.8 Å²	125.8	68%	0.679	72%	0.721	S	S	*	*				81	109.9	124.1	-61.8	-3.8	0	0	0	122.9
392	N	29.3	Very low	38.7	Very low	145 Å²	145	129 Å²	129	78%	0.775	71%	0.711	S	S	*	*				-169	127.2	91.5	-97.9	-31.3	0	0	0	115.2
393	N	28.4	Very low	42.2	Very low	150 Å²	150	119.4 Å²	119.4	80%	0.802	68%	0.675	S	S	*	*			trans	17.1	116.3	158.7	-63.2	-15	0	0	0	122.2
394	T	32.9	Very low	45.6	Very low	141 Å²	141	117 Å²	117	87%	0.865	66%	0.664	S	S	*	*				-152.8	133.9	128	1.5	0	0	0	0	109.7
395	V	35.8	Very low	49	Very low	144 Å²	144	111.5 Å²	111.5	87%	0.873	64%	0.636	S	S	*	*			trans	-85.1	119.5	-175.9	178.8	0	0	0	0	110.2
396	Q	35.4	Very low	52.5	Low	135 Å²	135	105.1 Å²	105.1	63%	0.631	60%	0.602	S	S	*	*			trans	-88.3	129.2	173.2	-64	-169.2	27.1	0	0	111.2	N398	Q396-N398 PolarHBondContact O-N 2.79Å; Q396-N398 PolarHBondContact OE1-ND2 2.86Å
397	P	39.6	Very low	55.8	Low	123 Å²	123	103.4 Å²	103.4	80%	0.799	58%	0.582	S	S	*	*			trans	-83.9	46.2	177	36.4	-36.6	0	0	0	112.4	G399	P397-G399 PolarHBondContact O-N 2.72Å
398	N	47.2	Very low	59.3	Low	128 Å²	128	100.5 Å²	100.5	68%	0.684	56%	0.56	S	S	*	*			trans	-79.2	38.4	-177.2	-67.4	-4.4	0	0	0	113.3	Q396	Q396-N398 PolarHBondContact O-N 2.79Å; Q396-N398 PolarHBondContact OE1-ND2 2.86Å
399	G	61.5	Low	62.5	Low	55 Å²	55	93.6 Å²	93.6	57%	0.567	54%	0.536	S	S	*	.	S	Bend	trans	-73.3	148.7	168.3	0	0	0	0	0	111	P397 Q401	P397-G399 PolarHBondContact O-N 2.72Å; G399-Q401 PolarHBondContact O-N 2.8Å
400	P	72.6	Confident	65.9	Low	91 Å²	91	93.1 Å²	93.1	59%	0.591	53%	0.531	S	S	*	.			trans	-58.7	124.8	174.5	24.7	-33.5	0	0	0	110.1	R402 Y407	P400-R402 PolarHBondContact O-N 3Å; P400-Y407 HydrophobicContact CB-CD1 4.18Å; P400-Y407 HydrophobicContact CG-CD1 3.93Å; P400-Y407 HydrophobicContact CG-CE1 4.08Å
401	Q	88.7	Confident	69.3	Low	115 Å²	115	89.3 Å²	89.3	54%	0.537	51%	0.513	S	S	.	.			trans	-57.6	112.4	-172.5	-169.7	-174.9	24.7	0	0	110.3	G399 L408	G399-Q401 PolarHBondContact O-N 2.8Å; Q401-L408 HydrophobicContact CB-CB 4.44Å; Q401-L408 HydrophobicContact CB-CD1 4.38Å; Q401-L408 HydrophobicContact CG-CD1 3.96Å; Q401-L408 VanDerWaalsContact O-CB 3.27Å; Q401-L408 WeakPolarHBondContact O-CB 3.44Å; Q401-L408 WeakPolarHBondContact O-CG 3.34Å; Q401-L408 PolarHBondContact O-N 2.81Å
402	R	93.5	Very high	72.5	Confident	141 Å²	141	86.9 Å²	86.9	53%	0.532	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.9	-175.6	-175.1	-177.5	166.2	174.8	-0.1	111.1	P400 G404 Y406 Y407	P400-R402 PolarHBondContact O-N 3Å; R402-G404 PolarHBondContact NE-O 3.05Å; R402-G404 PolarHBondContact NH2-O 2.6Å; R402-Y406 CarbonylContact C-O 3.47Å; R402-Y406 WeakPolarHBondContact CA-O 3.48Å; R402-Y406 WeakPolarHBondContact CG-O 3.47Å; R402-Y407 HydrophobicContact CB-CD1 3.98Å; R402-Y407 HydrophobicContact CB-CE1 4.2Å; R402-Y407 HydrophobicContact CG-CD1 4.13Å; R402-Y407 HydrophobicContact CG-CE1 4.2Å
403	I	94.3	Very high	75.5	Confident	32 Å²	32	81.3 Å²	81.3	16%	0.164	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	120.4	172.1	-58	-168.3	0	0	0	108.4	Y406 L408 M472 F479	I403-Y406 PolarHBondContact N-O 2.6Å; I403-Y406 WeakPolarHBondContact O-CD2 2.88Å; I403-Y406 PolarHBondContact O-N 2.91Å; I403-L408 HydrophobicContact CD1-CD1 3.69Å; I403-L408 HydrophobicContact CG1-CD1 3.9Å; I403-L408 HydrophobicContact CG1-CG 4.32Å; I403-M472 HydrophobicContact CG2-CE 3.85Å; I403-M472 HydrophobicContact CG2-SD 4.29Å; I403-F479 HydrophobicContact CD1-CD1 3.92Å; I403-F479 HydrophobicContact CD1-CE1 3.23Å; I403-F479 HydrophobicContact CD1-CZ 3.64Å; I403-F479 HydrophobicContact CG2-CD1 4.26Å; I403-F479 HydrophobicContact CG2-CD2 4.4Å; I403-F479 HydrophobicContact CG2-CE1 4.32Å; I403-F479 HydrophobicContact CG2-CE2 4.44Å; I403-F479 HydrophobicContact CG2-CG 4.33Å; I403-F479 HydrophobicContact CG2-CZ 4.41Å
404	G	94.4	Very high	78.5	Confident	44 Å²	44	83.2 Å²	83.2	45%	0.454	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	-131.3	-172.7	0	0	0	0	0	111.7	R402 Y406	R402-G404 PolarHBondContact NE-O 3.05Å; R402-G404 PolarHBondContact NH2-O 2.6Å; G404-Y406 VanDerWaalsContact C-N 3.3Å; G404-Y406 PolarHBondContact O-N 2.85Å
405	P	95.1	Very high	80.9	Confident	14 Å²	14	79 Å²	79	9%	0.091	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	10.1	174.4	36.1	-35.7	0	0	0	114.3	H425 S426	P405-H425 WeakPolarHBondContact CB-NE2 3.35Å; P405-S426 VanDerWaalsContact O-CB 3.28Å; P405-S426 WeakPolarHBondContact O-CB 3.01Å; P405-S426 PolarHBondContact O-N 2.81Å; P405-S426 PolarHBondContact O-OG 3.49Å
406	Y	97.8	Very high	82.9	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.3	-175.3	-47.7	-85.8	0	0	0	112.9	R402 I403 G404 K424 H425 V432 I434 H470 M472 V481 A742 L746	R402-Y406 CarbonylContact C-O 3.47Å; R402-Y406 WeakPolarHBondContact CA-O 3.48Å; R402-Y406 WeakPolarHBondContact CG-O 3.47Å; I403-Y406 PolarHBondContact N-O 2.6Å; I403-Y406 WeakPolarHBondContact O-CD2 2.88Å; I403-Y406 PolarHBondContact O-N 2.91Å; G404-Y406 VanDerWaalsContact C-N 3.3Å; G404-Y406 PolarHBondContact O-N 2.85Å; Y406-K424 WeakPolarHBondContact CA-O 3.28Å; Y406-H425 HydrophobicContact CD1-CB 4.05Å; Y406-H425 AromaticContact CD1-CD2 3.99Å; Y406-H425 HydrophobicContact CE1-CB 4.08Å; Y406-H425 AromaticContact CE1-CD2 3.5Å; Y406-H425 VanDerWaalsContact CE1-CD2 3.5Å; Y406-H425 WeakPolarHBondContact CE1-CD2 3.35Å; Y406-H425 AromaticContact CZ-CD2 3.92Å; Y406-V432 HydrophobicContact CD1-CG2 3.68Å; Y406-V432 HydrophobicContact CE1-CG1 4.46Å; Y406-V432 HydrophobicContact CE1-CG2 4.02Å; Y406-I434 HydrophobicContact CD1-CD1 4.49Å; Y406-I434 HydrophobicContact CD2-CD1 4.46Å; Y406-I434 HydrophobicContact CG-CD1 4Å; Y406-H470 AromaticContact CE2-ND1 3.48Å; Y406-H470 WeakPolarHBondContact CE2-ND1 3.44Å; Y406-H470 AromaticContact CZ-ND1 3.72Å; Y406-H470 PolarHBondContact OH-ND1 3.18Å; Y406-M472 HydrophobicContact CD2-CE 3.8Å; Y406-M472 HydrophobicContact CD2-SD 4.39Å; Y406-M472 HydrophobicContact CE2-CE 3.9Å; Y406-M472 HydrophobicContact CE2-SD 4.26Å; Y406-V481 HydrophobicContact CD1-CG1 4.29Å; Y406-V481 HydrophobicContact CD2-CG2 4.12Å; Y406-V481 HydrophobicContact CE1-CG1 3.72Å; Y406-V481 HydrophobicContact CE2-CB 4.46Å; Y406-V481 HydrophobicContact CE2-CG1 4.27Å; Y406-V481 HydrophobicContact CE2-CG2 3.7Å; Y406-A742 WeakPolarHBondContact OH-CB 3.5Å; Y406-L746 HydrophobicContact CE1-CD1 4.21Å
407	Y	97	Very high	85.2	Confident	96 Å²	96	77.8 Å²	77.8	38%	0.376	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	133.9	161.6	-63.3	-67.3	0	0	0	109.3	P400 R402 G423 K424 S426	P400-Y407 HydrophobicContact CB-CD1 4.18Å; P400-Y407 HydrophobicContact CG-CD1 3.93Å; P400-Y407 HydrophobicContact CG-CE1 4.08Å; R402-Y407 HydrophobicContact CB-CD1 3.98Å; R402-Y407 HydrophobicContact CB-CE1 4.2Å; R402-Y407 HydrophobicContact CG-CD1 4.13Å; R402-Y407 HydrophobicContact CG-CE1 4.2Å; Y407-G423 CarbonylContact O-C 3.55Å; Y407-G423 WeakPolarHBondContact O-CA 3.4Å; Y407-K424 PolarHBondContact N-O 3.22Å; Y407-K424 PolarHBondContact O-N 3.25Å; Y407-S426 VanDerWaalsContact CE2-CB 3.42Å
408	L	96.9	Very high	87.7	Confident	19 Å²	19	72.6 Å²	72.6	10%	0.099	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.9	176.1	-58.5	-179.2	0	0	0	110.8	Q401 I403 K421 I434 I436	Q401-L408 HydrophobicContact CB-CB 4.44Å; Q401-L408 HydrophobicContact CB-CD1 4.38Å; Q401-L408 HydrophobicContact CG-CD1 3.96Å; Q401-L408 VanDerWaalsContact O-CB 3.27Å; Q401-L408 WeakPolarHBondContact O-CB 3.44Å; Q401-L408 WeakPolarHBondContact O-CG 3.34Å; Q401-L408 PolarHBondContact O-N 2.81Å; I403-L408 HydrophobicContact CD1-CD1 3.69Å; I403-L408 HydrophobicContact CG1-CD1 3.9Å; I403-L408 HydrophobicContact CG1-CG 4.32Å; L408-K421 HydrophobicContact CB-CD 4.06Å; L408-K421 HydrophobicContact CD1-CD 4.08Å; L408-K421 HydrophobicContact CG-CD 4.46Å; L408-I434 HydrophobicContact CD2-CD1 3.69Å; L408-I434 HydrophobicContact CD2-CG2 4.49Å; L408-I436 HydrophobicContact CD1-CD1 4.37Å
409	G	95.9	Very high	90	Very high	33 Å²	33	68.8 Å²	68.8	34%	0.34	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-149.7	172.8	0	0	0	0	0	112.7	L422	G409-L422 PolarHBondContact N-O 2.7Å
410	P	95.9	Very high	91.7	Very high	86 Å²	86	68.2 Å²	68.2	56%	0.558	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	162.5	-179.9	26.8	-35.6	0	0	0	113.1	K421 L422	P410-K421 CarbonylContact O-C 3.28Å; P410-K421 WeakPolarHBondContact O-CA 3.49Å; P410-L422 HydrophobicContact CG-CB 4.29Å; P410-L422 HydrophobicContact CG-CD2 4.31Å; P410-L422 PolarHBondContact O-N 3.39Å
411	T	96.3	Very high	92.9	Very high	56 Å²	56	65.8 Å²	65.8	34%	0.344	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	127.5	168.3	-55.8	0	0	0	0	108.8	G413 R414 V419 V420	T411-G413 WeakPolarHBondContact CG2-O 3.35Å; T411-R414 HydrophobicContact CG2-CG 3.82Å; T411-V419 HydrophobicContact CG2-CG1 3.76Å; T411-V420 CarbonylContact C-O 3.52Å; T411-V420 WeakPolarHBondContact CG2-O 3.28Å
412	L	95.1	Very high	93.3	Very high	77 Å²	77	61.9 Å²	61.9	40%	0.403	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-40.6	172.6	-64.7	172.7	0	0	0	110.7	V420 L422 A433 Y484	L412-V420 HydrophobicContact CB-CG1 4.26Å; L412-V420 HydrophobicContact CD1-CG1 4.34Å; L412-V420 PolarHBondContact N-O 3.35Å; L412-L422 HydrophobicContact CD1-CB 4.11Å; L412-L422 HydrophobicContact CD1-CD1 4.46Å; L412-L422 HydrophobicContact CD2-CB 4.22Å; L412-L422 HydrophobicContact CG-CB 4.1Å; L412-A433 HydrophobicContact CD1-CB 4.18Å; L412-Y484 HydrophobicContact CD1-CD2 3.84Å; L412-Y484 HydrophobicContact CD1-CE2 3.75Å; L412-Y484 HydrophobicContact CD2-CE2 3.95Å
413	G	91.4	Very high	93.5	Very high	27 Å²	27	55.3 Å²	55.3	28%	0.278	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	165.4	-179.5	0	0	0	0	0	113.5	T411 V420	T411-G413 WeakPolarHBondContact CG2-O 3.35Å; G413-V420 PolarHBondContact N-O 2.99Å; G413-V420 PolarHBondContact O-N 3.46Å
414	R	91.7	Very high	93.6	Very high	191 Å²	191	56.6 Å²	56.6	72%	0.721	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	118	176.9	-63.8	-173.8	-179.4	173.7	3.1	110.5	T411 V419	T411-R414 HydrophobicContact CG2-CG 3.82Å; R414-V419 HydrophobicContact CG-CG1 4.29Å; R414-V419 HydrophobicContact CG-CG2 4.31Å
415	G	82.6	Confident	93.8	Very high	53 Å²	53	54.6 Å²	54.6	55%	0.546	30%	0.3	S	S	.	.			trans	-101	-179.4	168.4	0	0	0	0	0	112	F417 A418	G415-F417 VanDerWaalsContact C-N 3.26Å; G415-F417 PolarHBondContact O-N 3.41Å; G415-A418 PolarHBondContact N-O 3.01Å
416	N	79	Confident	93.7	Very high	148 Å²	148	55.6 Å²	55.6	79%	0.791	31%	0.308	S	S	*	.	S	Bend	trans	-57.2	-33.7	-175.3	-72.4	-37.8	0	0	0	114.7
417	F	83.6	Confident	93.5	Very high	105 Å²	105	59.5 Å²	59.5	46%	0.461	33%	0.326	S	S	.	.	S	Bend	trans	-129.2	2.3	-175.5	-50.3	-76.2	0	0	0	113.7	G415 I442	G415-F417 VanDerWaalsContact C-N 3.26Å; G415-F417 PolarHBondContact O-N 3.41Å; F417-I442 HydrophobicContact CB-CD1 4.37Å; F417-I442 HydrophobicContact CB-CG1 3.68Å; F417-I442 HydrophobicContact CG-CG1 4.28Å
418	A	92	Very high	93.4	Very high	14 Å²	14	55 Å²	55	12%	0.116	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.6	-169.6	0	0	0	0	0	112	G415 K435 I436 M437	G415-A418 PolarHBondContact N-O 3.01Å; A418-K435 HydrophobicContact CB-CG 4.04Å; A418-I436 CarbonylContact C-O 3.59Å; A418-I436 VanDerWaalsContact CA-O 3.24Å; A418-I436 WeakPolarHBondContact CA-O 3.34Å; A418-M437 HydrophobicContact CB-CG 3.71Å
419	V	95	Very high	93.3	Very high	48 Å²	48	55.7 Å²	55.7	29%	0.291	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	121.2	172.9	178	0	0	0	0	108.4	T411 R414 K421 I436	T411-V419 HydrophobicContact CG2-CG1 3.76Å; R414-V419 HydrophobicContact CG-CG1 4.29Å; R414-V419 HydrophobicContact CG-CG2 4.31Å; V419-K421 HydrophobicContact CG1-CG 4.41Å; V419-I436 PolarHBondContact N-O 3.38Å; V419-I436 WeakPolarHBondContact O-CB 3.28Å; V419-I436 PolarHBondContact O-N 3.39Å
420	V	96.8	Very high	93.3	Very high	42 Å²	42	55.1 Å²	55.1	26%	0.255	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122.1	175.7	-172.8	0	0	0	0	108.5	T411 L412 G413 A433 I434 K435	T411-V420 CarbonylContact C-O 3.52Å; T411-V420 WeakPolarHBondContact CG2-O 3.28Å; L412-V420 HydrophobicContact CB-CG1 4.26Å; L412-V420 HydrophobicContact CD1-CG1 4.34Å; L412-V420 PolarHBondContact N-O 3.35Å; G413-V420 PolarHBondContact N-O 2.99Å; G413-V420 PolarHBondContact O-N 3.46Å; V420-A433 HydrophobicContact CG1-CB 4.11Å; V420-I434 WeakPolarHBondContact CA-O 3.14Å; V420-K435 HydrophobicContact CG2-CB 4.22Å; V420-K435 HydrophobicContact CG2-CG 4.27Å
421	K	97.6	Very high	93.3	Very high	40 Å²	40	54.9 Å²	54.9	17%	0.174	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	153.2	171.3	-68.4	-167.8	-179.1	-170.6	0	111.2	L408 P410 V419 A433 I434 I436	L408-K421 HydrophobicContact CB-CD 4.06Å; L408-K421 HydrophobicContact CD1-CD 4.08Å; L408-K421 HydrophobicContact CG-CD 4.46Å; P410-K421 CarbonylContact O-C 3.28Å; P410-K421 WeakPolarHBondContact O-CA 3.49Å; V419-K421 HydrophobicContact CG1-CG 4.41Å; K421-A433 CarbonylContact O-C 3.51Å; K421-I434 PolarHBondContact N-O 3.02Å; K421-I434 PolarHBondContact O-N 3.39Å; K421-I436 HydrophobicContact CD-CD1 3.99Å; K421-I436 HydrophobicContact CG-CD1 4.13Å
422	L	97.8	Very high	93.4	Very high	34 Å²	34	52.2 Å²	52.2	18%	0.178	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	146.3	159.6	-175.7	65.3	0	0	0	108.6	G409 P410 L412 K431 V432 Y484	G409-L422 PolarHBondContact N-O 2.7Å; P410-L422 HydrophobicContact CG-CB 4.29Å; P410-L422 HydrophobicContact CG-CD2 4.31Å; P410-L422 PolarHBondContact O-N 3.39Å; L412-L422 HydrophobicContact CD1-CB 4.11Å; L412-L422 HydrophobicContact CD1-CD1 4.46Å; L412-L422 HydrophobicContact CD2-CB 4.22Å; L412-L422 HydrophobicContact CG-CB 4.1Å; L422-K431 HydrophobicContact CD1-CB 4.33Å; L422-V432 CarbonylContact C-O 3.57Å; L422-Y484 HydrophobicContact CD1-CD1 3.99Å; L422-Y484 HydrophobicContact CD1-CD2 3.85Å; L422-Y484 HydrophobicContact CD1-CE1 3.95Å; L422-Y484 HydrophobicContact CD1-CE2 3.84Å; L422-Y484 HydrophobicContact CD1-CG 3.94Å
423	G	97.6	Very high	93.6	Very high	2 Å²	2	49 Å²	49	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	160.3	168.2	0	0	0	0	0	112.3	Y407 K431 V432	Y407-G423 CarbonylContact O-C 3.55Å; Y407-G423 WeakPolarHBondContact O-CA 3.4Å; G423-K431 CarbonylContact O-C 3.55Å; G423-K431 WeakPolarHBondContact O-CA 3.25Å; G423-V432 PolarHBondContact N-O 2.94Å; G423-V432 PolarHBondContact O-N 3.44Å
424	K	97.2	Very high	93.9	Very high	59 Å²	59	47.7 Å²	47.7	26%	0.257	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.9	173.1	-172.9	159.2	174.7	158.7	0	109.3	Y406 Y407 S426 S429 V430 D932 D934	Y406-K424 WeakPolarHBondContact CA-O 3.28Å; Y407-K424 PolarHBondContact N-O 3.22Å; Y407-K424 PolarHBondContact O-N 3.25Å; K424-S426 PolarHBondContact O-N 3.43Å; K424-S429 WeakPolarHBondContact CE-O 3.22Å; K424-S429 VanDerWaalsContact CE-OG 3.22Å; K424-S429 WeakPolarHBondContact CE-OG 3.16Å; K424-V430 WeakPolarHBondContact CA-O 3.41Å; K424-D932 VanDerWaalsContact CE-OD2 3.28Å; K424-D932 WeakPolarHBondContact CE-OD2 3.16Å; K424-D932 IonicContact NZ-OD1 2.83Å; K424-D932 PolarHBondContact NZ-OD1 3.3Å; K424-D932 IonicContact NZ-OD2 3.85Å; K424-D932 PolarHBondContact NZ-OD2 3.2Å; K424-D934 IonicContact NZ-OD2 3.82Å; K424-D934 PolarHBondContact NZ-OD2 3.2Å
425	H	97.1	Very high	94.1	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.009	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	115.5	-178.9	-175.3	-87.8	0	0	0	110.5	P405 Y406 Q427 L428 S429 V430 L746	P405-H425 WeakPolarHBondContact CB-NE2 3.35Å; Y406-H425 HydrophobicContact CD1-CB 4.05Å; Y406-H425 AromaticContact CD1-CD2 3.99Å; Y406-H425 HydrophobicContact CE1-CB 4.08Å; Y406-H425 AromaticContact CE1-CD2 3.5Å; Y406-H425 VanDerWaalsContact CE1-CD2 3.5Å; Y406-H425 WeakPolarHBondContact CE1-CD2 3.35Å; Y406-H425 AromaticContact CZ-CD2 3.92Å; H425-Q427 PolarHBondContact O-N 3.49Å; H425-L428 HydrophobicContact CB-CB 4.32Å; H425-L428 WeakPolarHBondContact ND1-CB 3.34Å; H425-L428 VanDerWaalsContact ND1-CG 3.33Å; H425-L428 WeakPolarHBondContact ND1-CG 3.48Å; H425-L428 PolarHBondContact ND1-N 3.02Å; H425-L428 PolarHBondContact O-N 2.71Å; H425-S429 PolarHBondContact O-N 3.18Å; H425-V430 PolarHBondContact N-O 2.96Å; H425-L746 HydrophobicContact CB-CD1 4.33Å
426	S	93.8	Very high	94.8	Very high	36 Å²	36	38.6 Å²	38.6	25%	0.252	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.1	-165.8	55.8	0	0	0	0	116.3	P405 Y407 K424	P405-S426 VanDerWaalsContact O-CB 3.28Å; P405-S426 WeakPolarHBondContact O-CB 3.01Å; P405-S426 PolarHBondContact O-N 2.81Å; P405-S426 PolarHBondContact O-OG 3.49Å; Y407-S426 VanDerWaalsContact CE2-CB 3.42Å; K424-S426 PolarHBondContact O-N 3.43Å
427	Q	92.5	Very high	95.5	Very high	82 Å²	82	31.9 Å²	31.9	38%	0.383	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-11.1	178.4	-63.7	175.7	-70.4	0	0	114.3	H425 A721	H425-Q427 PolarHBondContact O-N 3.49Å; Q427-A721 PolarHBondContact NE2-O 2.79Å
428	L	95.9	Very high	95.9	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122	-11.1	-172.5	-63.2	176.8	0	0	0	113.3	H425 V430 L717 L746 L747 K750 L929	H425-L428 HydrophobicContact CB-CB 4.32Å; H425-L428 WeakPolarHBondContact ND1-CB 3.34Å; H425-L428 VanDerWaalsContact ND1-CG 3.33Å; H425-L428 WeakPolarHBondContact ND1-CG 3.48Å; H425-L428 PolarHBondContact ND1-N 3.02Å; H425-L428 PolarHBondContact O-N 2.71Å; L428-V430 HydrophobicContact CB-CG2 4.08Å; L428-V430 PolarHBondContact O-N 3.41Å; L428-L717 HydrophobicContact CD2-CD2 4.17Å; L428-L746 HydrophobicContact CD1-CB 3.87Å; L428-L747 HydrophobicContact CD1-CB 4.3Å; L428-L747 HydrophobicContact CD2-CB 4.21Å; L428-L747 HydrophobicContact CD2-CD1 4.28Å; L428-K750 WeakPolarHBondContact O-CE 3.32Å; L428-K750 PolarHBondContact O-NZ 3.3Å; L428-L929 HydrophobicContact CD2-CD2 4.42Å; L428-L929 HydrophobicContact CD2-CG 3.79Å
429	S	94.7	Very high	95.9	Very high	32 Å²	32	29.9 Å²	29.9	22%	0.224	16%	0.156	C	C	.	.			trans	56.1	6.6	-173.1	-80	0	0	0	0	116.9	K424 H425 D932	K424-S429 WeakPolarHBondContact CE-O 3.22Å; K424-S429 VanDerWaalsContact CE-OG 3.22Å; K424-S429 WeakPolarHBondContact CE-OG 3.16Å; H425-S429 PolarHBondContact O-N 3.18Å; S429-D932 VanDerWaalsContact CB-CG 3.45Å; S429-D932 WeakPolarHBondContact CB-OD2 3.23Å; S429-D932 PolarHBondContact OG-OD2 2.98Å
430	V	95.7	Very high	95.6	Very high	22 Å²	22	33.6 Å²	33.6	13%	0.133	17%	0.174	C	C	.	.			trans	-69.5	135.6	176.4	-175.3	0	0	0	0	110.7	K424 H425 L428 L746 K750	K424-V430 WeakPolarHBondContact CA-O 3.41Å; H425-V430 PolarHBondContact N-O 2.96Å; L428-V430 HydrophobicContact CB-CG2 4.08Å; L428-V430 PolarHBondContact O-N 3.41Å; V430-L746 HydrophobicContact CB-CD2 4.41Å; V430-L746 HydrophobicContact CG1-CD2 3.83Å; V430-K750 HydrophobicContact CG2-CB 4.01Å; V430-K750 HydrophobicContact CG2-CD 3.84Å; V430-K750 HydrophobicContact CG2-CG 4.16Å
431	K	97.2	Very high	95	Very high	81 Å²	81	36.4 Å²	36.4	35%	0.352	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	140.3	173.6	-67.5	169	-171.7	157.9	0	110.6	L422 G423 Y484 D934	L422-K431 HydrophobicContact CD1-CB 4.33Å; G423-K431 CarbonylContact O-C 3.55Å; G423-K431 WeakPolarHBondContact O-CA 3.25Å; K431-Y484 HydrophobicContact CB-CD1 3.87Å; K431-Y484 HydrophobicContact CD-CD1 4.34Å; K431-Y484 HydrophobicContact CD-CE1 4.26Å; K431-D934 WeakPolarHBondContact CE-OD2 3.44Å; K431-D934 IonicContact NZ-OD1 3.74Å; K431-D934 PolarHBondContact NZ-OD1 3.3Å; K431-D934 IonicContact NZ-OD2 2.72Å; K431-D934 PolarHBondContact NZ-OD2 3.5Å; K431-D934 VanDerWaalsContact NZ-OD2 3.07Å
432	V	98	Very high	94.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	156.1	179.6	-68.4	0	0	0	0	110	Y406 L422 G423 I434 Y469 V481 T482 L746	Y406-V432 HydrophobicContact CD1-CG2 3.68Å; Y406-V432 HydrophobicContact CE1-CG1 4.46Å; Y406-V432 HydrophobicContact CE1-CG2 4.02Å; L422-V432 CarbonylContact C-O 3.57Å; G423-V432 PolarHBondContact N-O 2.94Å; G423-V432 PolarHBondContact O-N 3.44Å; V432-I434 HydrophobicContact CG2-CD1 4.11Å; V432-I434 HydrophobicContact CG2-CG1 4.05Å; V432-Y469 HydrophobicContact CG1-CD2 4.29Å; V432-Y469 HydrophobicContact CG1-CE2 4.31Å; V432-V481 HydrophobicContact CB-CG1 3.7Å; V432-V481 HydrophobicContact CG1-CG1 3.97Å; V432-V481 HydrophobicContact CG2-CG1 3.7Å; V432-T482 WeakPolarHBondContact CB-O 3.39Å; V432-L746 HydrophobicContact CG1-CD1 4.3Å; V432-L746 HydrophobicContact CG1-CD2 3.76Å
433	A	98.3	Very high	93.7	Very high	9 Å²	9	34.7 Å²	34.7	7%	0.074	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	147.3	163.8	0	0	0	0	0	109.5	L412 V420 K421 V481 T482	L412-A433 HydrophobicContact CD1-CB 4.18Å; V420-A433 HydrophobicContact CG1-CB 4.11Å; K421-A433 CarbonylContact O-C 3.51Å; A433-V481 CarbonylContact O-C 3.32Å; A433-V481 WeakPolarHBondContact O-CA 3.21Å; A433-T482 PolarHBondContact N-O 3.05Å; A433-T482 PolarHBondContact O-N 3.21Å
434	I	97.9	Very high	92.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	102.7	-177.5	-56.6	-179.2	0	0	0	108.7	Y406 L408 V420 K421 V432 I436 F479 M480 V481	Y406-I434 HydrophobicContact CD1-CD1 4.49Å; Y406-I434 HydrophobicContact CD2-CD1 4.46Å; Y406-I434 HydrophobicContact CG-CD1 4Å; L408-I434 HydrophobicContact CD2-CD1 3.69Å; L408-I434 HydrophobicContact CD2-CG2 4.49Å; V420-I434 WeakPolarHBondContact CA-O 3.14Å; K421-I434 PolarHBondContact N-O 3.02Å; K421-I434 PolarHBondContact O-N 3.39Å; V432-I434 HydrophobicContact CG2-CD1 4.11Å; V432-I434 HydrophobicContact CG2-CG1 4.05Å; I434-I436 HydrophobicContact CG2-CG1 4.1Å; I434-I436 PolarHBondContact O-N 3.44Å; I434-F479 HydrophobicContact CG2-CB 4.49Å; I434-F479 HydrophobicContact CG2-CD1 4.41Å; I434-M480 CarbonylContact C-O 3.58Å; I434-M480 WeakPolarHBondContact CA-O 3.5Å; I434-V481 HydrophobicContact CD1-CG2 4.43Å; I434-V481 HydrophobicContact CG1-CG1 4.19Å; I434-V481 HydrophobicContact CG1-CG2 4.17Å; I434-V481 HydrophobicContact CG2-CG2 4.49Å
435	K	96.7	Very high	91.8	Very high	26 Å²	26	44.7 Å²	44.7	11%	0.113	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	108	174.1	-176.7	174.2	173.4	-178.3	0	108.4	A418 V420 M437 E453 M480 D546	A418-K435 HydrophobicContact CB-CG 4.04Å; V420-K435 HydrophobicContact CG2-CB 4.22Å; V420-K435 HydrophobicContact CG2-CG 4.27Å; K435-M437 HydrophobicContact CG-CG 4.33Å; K435-E453 IonicContact NZ-OE1 3.21Å; K435-E453 PolarHBondContact NZ-OE1 3.45Å; K435-E453 IonicContact NZ-OE2 2.85Å; K435-E453 PolarHBondContact NZ-OE2 2.9Å; K435-M480 HydrophobicContact CB-CB 4.32Å; K435-M480 PolarHBondContact N-O 3.27Å; K435-M480 PolarHBondContact O-N 2.8Å; K435-D546 IonicContact NZ-OD1 3.48Å; K435-D546 PolarHBondContact NZ-OD1 2.97Å
436	I	96	Very high	91	Very high	27 Å²	27	46.8 Å²	46.8	14%	0.138	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.9	-179.2	-51.1	-178.6	0	0	0	108.6	L408 A418 V419 K421 I434 F479	L408-I436 HydrophobicContact CD1-CD1 4.37Å; A418-I436 CarbonylContact C-O 3.59Å; A418-I436 VanDerWaalsContact CA-O 3.24Å; A418-I436 WeakPolarHBondContact CA-O 3.34Å; V419-I436 PolarHBondContact N-O 3.38Å; V419-I436 WeakPolarHBondContact O-CB 3.28Å; V419-I436 PolarHBondContact O-N 3.39Å; K421-I436 HydrophobicContact CD-CD1 3.99Å; K421-I436 HydrophobicContact CG-CD1 4.13Å; I434-I436 HydrophobicContact CG2-CG1 4.1Å; I434-I436 PolarHBondContact O-N 3.44Å; I436-F479 HydrophobicContact CB-CD1 4.29Å; I436-F479 HydrophobicContact CB-CE1 4.31Å; I436-F479 HydrophobicContact CD1-CD1 4.48Å; I436-F479 HydrophobicContact CD1-CE1 4.28Å; I436-F479 HydrophobicContact CG1-CD1 3.91Å; I436-F479 HydrophobicContact CG1-CE1 4.08Å; I436-F479 HydrophobicContact CG2-CD1 3.97Å; I436-F479 HydrophobicContact CG2-CE1 3.55Å; I436-F479 HydrophobicContact CG2-CZ 4.35Å
437	M	94.5	Very high	90.6	Very high	6 Å²	6	48 Å²	48	3%	0.03	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.2	-174.3	-80.9	-173	-61.3	0	0	111.1	A418 K435 I442 V450 N477 I478 M480	A418-M437 HydrophobicContact CB-CG 3.71Å; K435-M437 HydrophobicContact CG-CG 4.33Å; M437-I442 HydrophobicContact CB-CD1 3.67Å; M437-I442 HydrophobicContact CG-CD1 4.11Å; M437-I442 HydrophobicContact SD-CD1 4.3Å; M437-V450 HydrophobicContact CE-CG1 3.58Å; M437-V450 HydrophobicContact SD-CG1 4.14Å; M437-V450 HydrophobicContact SD-CG2 4.07Å; M437-N477 CarbonylContact O-C 3.4Å; M437-N477 VanDerWaalsContact O-CA 3.22Å; M437-N477 WeakPolarHBondContact O-CA 3.43Å; M437-I478 HydrophobicContact CB-CB 4.32Å; M437-I478 HydrophobicContact CE-CB 4.38Å; M437-I478 HydrophobicContact CE-CG2 4.01Å; M437-I478 PolarHBondContact N-O 3.22Å; M437-I478 PolarHBondContact O-N 3.44Å; M437-M480 HydrophobicContact CE-CG 4.19Å; M437-M480 HydrophobicContact CE-SD 3.36Å; M437-M480 WeakPolarHBondContact CE-SD 3.31Å
438	N	92.3	Very high	90.3	Very high	38 Å²	38	46.3 Å²	46.3	20%	0.203	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	120.8	-179.8	-178.9	-76.1	0	0	0	111	D440 L441 I442 N477	N438-D440 PolarHBondContact O-N 3.28Å; N438-D440 WeakPolarHBondContact OD1-CA 3.38Å; N438-D440 WeakPolarHBondContact OD1-CB 3.31Å; N438-D440 PolarHBondContact OD1-N 2.87Å; N438-L441 HydrophobicContact CB-CB 4.2Å; N438-L441 HydrophobicContact CB-CD1 4.05Å; N438-L441 HydrophobicContact CB-CG 4.14Å; N438-L441 PolarHBondContact O-N 2.77Å; N438-L441 WeakPolarHBondContact OD1-CG 3.33Å; N438-L441 PolarHBondContact OD1-N 3.23Å; N438-I442 WeakPolarHBondContact O-CB 3.44Å; N438-I442 WeakPolarHBondContact O-CD1 3.25Å; N438-I442 WeakPolarHBondContact O-CG1 3.41Å; N438-I442 PolarHBondContact O-N 2.94Å; N438-N477 WeakPolarHBondContact CA-OD1 3.22Å; N438-N477 PolarHBondContact ND2-OD1 3.33Å
439	K	92.4	Very high	89.8	Confident	39 Å²	39	50.1 Å²	50.1	17%	0.17	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-40	-176	-70	171	162.2	-176.1	0	112.8	I442 G443 L447 E473 T474 E475 S476 I478	K439-I442 PolarHBondContact O-N 2.94Å; K439-G443 PolarHBondContact O-N 2.79Å; K439-L447 HydrophobicContact CG-CD2 4.34Å; K439-E473 WeakPolarHBondContact CE-OE1 3.44Å; K439-E473 IonicContact NZ-OE1 3.65Å; K439-E473 PolarHBondContact NZ-OE1 2.93Å; K439-T474 WeakPolarHBondContact CE-O 3.5Å; K439-T474 PolarHBondContact NZ-O 3.41Å; K439-E475 VanDerWaalsContact CD-O 3.24Å; K439-E475 WeakPolarHBondContact CD-O 3.41Å; K439-S476 PolarHBondContact N-O 2.65Å; K439-I478 HydrophobicContact CG-CD1 4.29Å; K439-I478 HydrophobicContact CG-CG1 4.15Å
440	D	86.9	Confident	89.6	Confident	126 Å²	126	49.1 Å²	49.1	67%	0.674	27%	0.27	S	S	*	.	H	α-helix	trans	-68.2	-36.3	-178.5	-53.8	-55.3	0	0	0	111.7	N438	N438-D440 PolarHBondContact O-N 3.28Å; N438-D440 WeakPolarHBondContact OD1-CA 3.38Å; N438-D440 WeakPolarHBondContact OD1-CB 3.31Å; N438-D440 PolarHBondContact OD1-N 2.87Å
441	L	85.7	Confident	89.4	Confident	102 Å²	102	51.6 Å²	51.6	53%	0.534	29%	0.289	S	S	.	.	H	α-helix	trans	-76	-29.8	175.6	-64.9	-178.3	0	0	0	113.2	N438	N438-L441 HydrophobicContact CB-CB 4.2Å; N438-L441 HydrophobicContact CB-CD1 4.05Å; N438-L441 HydrophobicContact CB-CG 4.14Å; N438-L441 PolarHBondContact O-N 2.77Å; N438-L441 WeakPolarHBondContact OD1-CG 3.33Å; N438-L441 PolarHBondContact OD1-N 3.23Å
442	I	83.8	Confident	89.2	Confident	9 Å²	9	51.7 Å²	51.7	5%	0.046	29%	0.287	C	S	.	.	H	α-helix	trans	-75.4	-44.9	177.4	-73.1	167.5	0	0	0	110.5	F417 M437 N438 K439 N446 L447 V450	F417-I442 HydrophobicContact CB-CD1 4.37Å; F417-I442 HydrophobicContact CB-CG1 3.68Å; F417-I442 HydrophobicContact CG-CG1 4.28Å; M437-I442 HydrophobicContact CB-CD1 3.67Å; M437-I442 HydrophobicContact CG-CD1 4.11Å; M437-I442 HydrophobicContact SD-CD1 4.3Å; N438-I442 WeakPolarHBondContact O-CB 3.44Å; N438-I442 WeakPolarHBondContact O-CD1 3.25Å; N438-I442 WeakPolarHBondContact O-CG1 3.41Å; N438-I442 PolarHBondContact O-N 2.94Å; K439-I442 PolarHBondContact O-N 2.94Å; I442-N446 HydrophobicContact CG2-CB 3.54Å; I442-N446 WeakPolarHBondContact O-CB 3.4Å; I442-N446 PolarHBondContact O-ND2 2.71Å; I442-L447 HydrophobicContact CG2-CD2 3.93Å; I442-L447 HydrophobicContact CG2-CG 4.29Å; I442-V450 HydrophobicContact CD1-CG2 4.19Å; I442-V450 HydrophobicContact CG2-CG2 4.22Å
443	G	83.9	Confident	89	Confident	29 Å²	29	52 Å²	52	30%	0.299	29%	0.289	S	S	.	.			trans	73.5	154.9	-178.1	0	0	0	0	0	113.5	K439 K445 N446 L447	K439-G443 PolarHBondContact O-N 2.79Å; G443-K445 VanDerWaalsContact C-N 3.27Å; G443-K445 PolarHBondContact O-N 2.91Å; G443-K445 VanDerWaalsContact O-N 3.1Å; G443-N446 PolarHBondContact O-N 3.22Å; G443-L447 PolarHBondContact O-N 3.01Å
444	S	79.4	Confident	88.8	Confident	100 Å²	100	52.8 Å²	52.8	70%	0.699	29%	0.291	S	S	*	.	H	α-helix	trans	-51	-41.5	-172.3	54.2	0	0	0	0	114.1	N446 L447	S444-N446 VanDerWaalsContact C-N 3.27Å; S444-N446 PolarHBondContact O-N 2.84Å; S444-L447 PolarHBondContact O-N 3.37Å
445	K	74.3	Confident	88.6	Confident	170 Å²	170	56.7 Å²	56.7	74%	0.739	31%	0.31	S	S	*	.	H	α-helix	trans	-66.6	-21.7	-178.8	-59	-165.4	179	-166.6	0	114.3	G443	G443-K445 VanDerWaalsContact C-N 3.27Å; G443-K445 PolarHBondContact O-N 2.91Å; G443-K445 VanDerWaalsContact O-N 3.1Å
446	N	81.2	Confident	88.5	Confident	46 Å²	46	55.4 Å²	55.4	25%	0.246	30%	0.304	C	S	.	.	H	α-helix	trans	-100.8	-13	174.5	-64.4	-60.9	0	0	0	113.3	I442 G443 S444 G448 K449 V450	I442-N446 HydrophobicContact CG2-CB 3.54Å; I442-N446 WeakPolarHBondContact O-CB 3.4Å; I442-N446 PolarHBondContact O-ND2 2.71Å; G443-N446 PolarHBondContact O-N 3.22Å; S444-N446 VanDerWaalsContact C-N 3.27Å; S444-N446 PolarHBondContact O-N 2.84Å; N446-G448 PolarHBondContact O-N 2.73Å; N446-K449 WeakPolarHBondContact O-CA 3.35Å; N446-K449 WeakPolarHBondContact O-CB 3.32Å; N446-K449 PolarHBondContact O-N 3.32Å; N446-K449 WeakPolarHBondContact OD1-CE 3.46Å; N446-K449 PolarHBondContact OD1-NZ 3.07Å; N446-V450 PolarHBondContact O-N 3Å
447	L	85.7	Confident	88.5	Confident	62 Å²	62	54.6 Å²	54.6	33%	0.325	30%	0.3	S	S	.	.	H	α-helix	trans	-59.5	-31.4	173.6	-69.5	177.3	0	0	0	112	K439 I442 G443 S444 K449 V450 S451 I478	K439-L447 HydrophobicContact CG-CD2 4.34Å; I442-L447 HydrophobicContact CG2-CD2 3.93Å; I442-L447 HydrophobicContact CG2-CG 4.29Å; G443-L447 PolarHBondContact O-N 3.01Å; S444-L447 PolarHBondContact O-N 3.37Å; L447-K449 VanDerWaalsContact C-N 3.28Å; L447-K449 PolarHBondContact O-N 3.2Å; L447-V450 PolarHBondContact O-N 3.47Å; L447-S451 PolarHBondContact O-N 3.04Å; L447-I478 HydrophobicContact CD2-CD1 4.31Å
448	G	85.9	Confident	88.5	Confident	47 Å²	47	57.4 Å²	57.4	49%	0.485	31%	0.312	S	S	.	.	H	α-helix	trans	-60.7	-33.2	171.3	0	0	0	0	0	113.8	N446 R452	N446-G448 PolarHBondContact O-N 2.73Å; G448-R452 WeakPolarHBondContact O-CB 3.41Å; G448-R452 PolarHBondContact O-N 2.84Å; G448-R452 VanDerWaalsContact O-N 3.11Å
449	K	86.4	Confident	88.5	Confident	81 Å²	81	59.8 Å²	59.8	35%	0.352	32%	0.318	S	S	.	.	H	α-helix	trans	-69.8	-42.6	173.1	-60.3	175.4	-179	164.3	0	111	N446 L447 S451 R452 E453	N446-K449 WeakPolarHBondContact O-CA 3.35Å; N446-K449 WeakPolarHBondContact O-CB 3.32Å; N446-K449 PolarHBondContact O-N 3.32Å; N446-K449 WeakPolarHBondContact OD1-CE 3.46Å; N446-K449 PolarHBondContact OD1-NZ 3.07Å; L447-K449 VanDerWaalsContact C-N 3.28Å; L447-K449 PolarHBondContact O-N 3.2Å; K449-S451 VanDerWaalsContact C-N 3.34Å; K449-S451 PolarHBondContact O-N 2.87Å; K449-R452 WeakPolarHBondContact O-CB 3.26Å; K449-R452 PolarHBondContact O-N 3.11Å; K449-R452 VanDerWaalsContact O-N 3.15Å; K449-E453 PolarHBondContact O-N 2.61Å
450	V	90.6	Very high	88.5	Confident	11 Å²	11	58 Å²	58	7%	0.067	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-40.8	176.1	-179.8	0	0	0	0	111.4	M437 I442 N446 L447 R452 E453 L454 I478	M437-V450 HydrophobicContact CE-CG1 3.58Å; M437-V450 HydrophobicContact SD-CG1 4.14Å; M437-V450 HydrophobicContact SD-CG2 4.07Å; I442-V450 HydrophobicContact CD1-CG2 4.19Å; I442-V450 HydrophobicContact CG2-CG2 4.22Å; N446-V450 PolarHBondContact O-N 3Å; L447-V450 PolarHBondContact O-N 3.47Å; V450-R452 VanDerWaalsContact C-N 3.3Å; V450-R452 PolarHBondContact O-N 2.85Å; V450-E453 PolarHBondContact O-N 3.01Å; V450-L454 HydrophobicContact CG1-CD1 4.12Å; V450-L454 WeakPolarHBondContact O-CB 3.25Å; V450-L454 VanDerWaalsContact O-CG 3.29Å; V450-L454 WeakPolarHBondContact O-CG 3.03Å; V450-L454 PolarHBondContact O-N 3.39Å; V450-I478 HydrophobicContact CG1-CD1 3.94Å
451	S	91.2	Very high	88.7	Confident	75 Å²	75	54.1 Å²	54.1	52%	0.524	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-39	174	-167.1	0	0	0	0	112	L447 K449 E455	L447-S451 PolarHBondContact O-N 3.04Å; K449-S451 VanDerWaalsContact C-N 3.34Å; K449-S451 PolarHBondContact O-N 2.87Å; S451-E455 WeakPolarHBondContact O-CB 3.17Å; S451-E455 PolarHBondContact O-N 3.4Å
452	R	92.9	Very high	89.2	Confident	82 Å²	82	49.4 Å²	49.4	31%	0.309	26%	0.263	S	S	.	.	H	α-helix	trans	-71.2	-42.5	177.2	-161.9	-167.5	-60.6	158.7	-9.9	112.6	G448 K449 V450 L454 E455 A456 C550 N551 F552	G448-R452 WeakPolarHBondContact O-CB 3.41Å; G448-R452 PolarHBondContact O-N 2.84Å; G448-R452 VanDerWaalsContact O-N 3.11Å; K449-R452 WeakPolarHBondContact O-CB 3.26Å; K449-R452 PolarHBondContact O-N 3.11Å; K449-R452 VanDerWaalsContact O-N 3.15Å; V450-R452 VanDerWaalsContact C-N 3.3Å; V450-R452 PolarHBondContact O-N 2.85Å; R452-L454 VanDerWaalsContact C-N 3.33Å; R452-L454 PolarHBondContact O-N 2.73Å; R452-E455 PolarHBondContact O-N 3.46Å; R452-A456 WeakPolarHBondContact O-CB 3.41Å; R452-A456 PolarHBondContact O-N 3.49Å; R452-C550 WeakPolarHBondContact CD-O 3.38Å; R452-C550 PolarHBondContact NH1-O 3.41Å; R452-N551 WeakPolarHBondContact CD-OD1 3.31Å; R452-N551 PolarHBondContact NE-OD1 3.17Å; R452-N551 PolarHBondContact NH1-OD1 2.94Å; R452-F552 HydrophobicContact CG-CD2 3.86Å; R452-F552 HydrophobicContact CG-CE2 3.62Å; R452-F552 HydrophobicContact CG-CZ 4.43Å
453	E	94	Very high	89.8	Confident	7 Å²	7	50.4 Å²	50.4	3%	0.033	27%	0.271	C	S	.	.	H	α-helix	trans	-56.5	-49.4	173	-176.5	-171.3	153.3	0	0	110.2	K435 K449 V450 E455 A456 M457 M480 F547	K435-E453 IonicContact NZ-OE1 3.21Å; K435-E453 PolarHBondContact NZ-OE1 3.45Å; K435-E453 IonicContact NZ-OE2 2.85Å; K435-E453 PolarHBondContact NZ-OE2 2.9Å; K449-E453 PolarHBondContact O-N 2.61Å; V450-E453 PolarHBondContact O-N 3.01Å; E453-E455 PolarHBondContact O-N 2.82Å; E453-A456 PolarHBondContact O-N 3.15Å; E453-M457 WeakPolarHBondContact O-CG 3.4Å; E453-M457 PolarHBondContact O-N 2.77Å; E453-M480 HydrophobicContact CG-CE 4.33Å; E453-M480 WeakPolarHBondContact OE1-CE 3.34Å; E453-F547 HydrophobicContact CG-CB 3.9Å
454	L	94	Very high	90.5	Very high	25 Å²	25	49.8 Å²	49.8	13%	0.131	26%	0.26	C	S	.	.	H	α-helix	trans	-57.5	-46.5	175.3	-79	168.2	0	0	0	112	V450 R452 K458 L468 V471 M480	V450-L454 HydrophobicContact CG1-CD1 4.12Å; V450-L454 WeakPolarHBondContact O-CB 3.25Å; V450-L454 VanDerWaalsContact O-CG 3.29Å; V450-L454 WeakPolarHBondContact O-CG 3.03Å; V450-L454 PolarHBondContact O-N 3.39Å; R452-L454 VanDerWaalsContact C-N 3.33Å; R452-L454 PolarHBondContact O-N 2.73Å; L454-K458 WeakPolarHBondContact O-CB 3.34Å; L454-K458 WeakPolarHBondContact O-CG 3.47Å; L454-K458 PolarHBondContact O-N 3.47Å; L454-L468 HydrophobicContact CD2-CD2 4.34Å; L454-V471 HydrophobicContact CD2-CG1 4.02Å; L454-V471 HydrophobicContact CD2-CG2 3.62Å; L454-M480 HydrophobicContact CD2-CE 3.94Å; L454-M480 HydrophobicContact CD2-CG 3.63Å; L454-M480 HydrophobicContact CD2-SD 3.61Å; L454-M480 HydrophobicContact CG-CE 4.5Å; L454-M480 HydrophobicContact CG-SD 4.04Å
455	E	94	Very high	91.4	Very high	82 Å²	82	45 Å²	45	38%	0.383	23%	0.227	S	C	.	.	H	α-helix	trans	-67.3	-41.7	179.9	-168.1	-178.8	179.6	0	0	112.4	S451 R452 E453 K458 R459 F552	S451-E455 WeakPolarHBondContact O-CB 3.17Å; S451-E455 PolarHBondContact O-N 3.4Å; R452-E455 PolarHBondContact O-N 3.46Å; E453-E455 PolarHBondContact O-N 2.82Å; E455-K458 PolarHBondContact O-N 2.99Å; E455-R459 WeakPolarHBondContact O-CG 3.36Å; E455-R459 PolarHBondContact O-N 3.21Å; E455-R459 VanDerWaalsContact O-N 3.08Å; E455-R459 IonicContact OE1-CZ 3.62Å; E455-R459 IonicContact OE1-NE 2.92Å; E455-R459 PolarHBondContact OE1-NE 2.93Å; E455-R459 IonicContact OE1-NH2 2.69Å; E455-R459 PolarHBondContact OE1-NH2 3Å; E455-F552 HydrophobicContact CB-CE2 4.24Å; E455-F552 HydrophobicContact CB-CZ 3.92Å; E455-F552 HydrophobicContact CG-CE2 4.24Å; E455-F552 HydrophobicContact CG-CZ 3.78Å; E455-F552 WeakPolarHBondContact OE2-CE2 3.27Å
456	A	94.5	Very high	92.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-48.2	174.8	0	0	0	0	0	111.1	R452 E453 K458 R459 C460 I524 F547 C550 F552	R452-A456 WeakPolarHBondContact O-CB 3.41Å; R452-A456 PolarHBondContact O-N 3.49Å; E453-A456 PolarHBondContact O-N 3.15Å; A456-K458 VanDerWaalsContact C-N 3.31Å; A456-K458 PolarHBondContact O-N 3.45Å; A456-R459 CarbonylContact O-C 3.58Å; A456-R459 PolarHBondContact O-N 2.89Å; A456-R459 VanDerWaalsContact O-N 3.08Å; A456-C460 WeakPolarHBondContact O-CB 3.36Å; A456-C460 PolarHBondContact O-N 2.88Å; A456-I524 HydrophobicContact CB-CD1 4.08Å; A456-I524 HydrophobicContact CB-CG2 4.28Å; A456-F547 HydrophobicContact CB-CD1 4.27Å; A456-C550 WeakPolarHBondContact CB-SG 3.22Å; A456-F552 HydrophobicContact CB-CZ 4.45Å
457	M	95.8	Very high	93.2	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.049	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-31.4	176.5	-69.4	-169.6	77.9	0	0	113.4	E453 R459 I466 L468 M480 T482 F547	E453-M457 WeakPolarHBondContact O-CG 3.4Å; E453-M457 PolarHBondContact O-N 2.77Å; M457-R459 VanDerWaalsContact C-N 3.31Å; M457-I466 HydrophobicContact CE-CG2 4.15Å; M457-I466 WeakPolarHBondContact CE-O 3.42Å; M457-L468 HydrophobicContact CB-CB 4.38Å; M457-L468 HydrophobicContact CB-CD2 4.38Å; M457-L468 HydrophobicContact CE-CB 4.39Å; M457-M480 HydrophobicContact SD-CE 3.35Å; M457-M480 WeakPolarHBondContact SD-CE 3.37Å; M457-T482 HydrophobicContact CE-CG2 4.01Å; M457-F547 HydrophobicContact CG-CB 4.31Å; M457-F547 HydrophobicContact CG-CD2 3.93Å; M457-F547 HydrophobicContact CG-CG 4.24Å
458	K	93.9	Very high	93.8	Very high	64 Å²	64	35.8 Å²	35.8	28%	0.278	18%	0.181	S	C	.	.	H	α-helix	trans	-69.2	-28.2	173.3	-72.7	-179.7	179.9	-174.1	0	112.9	L454 E455 A456 L468 Y737	L454-K458 WeakPolarHBondContact O-CB 3.34Å; L454-K458 WeakPolarHBondContact O-CG 3.47Å; L454-K458 PolarHBondContact O-N 3.47Å; E455-K458 PolarHBondContact O-N 2.99Å; A456-K458 VanDerWaalsContact C-N 3.31Å; A456-K458 PolarHBondContact O-N 3.45Å; K458-L468 HydrophobicContact CG-CD2 3.98Å; K458-Y737 HydrophobicContact CB-CE2 4.05Å; K458-Y737 HydrophobicContact CD-CD2 3.91Å; K458-Y737 HydrophobicContact CD-CE2 3.8Å; K458-Y737 HydrophobicContact CG-CD2 3.89Å; K458-Y737 HydrophobicContact CG-CE2 3.46Å; K458-Y737 VanDerWaalsContact CG-CE2 3.46Å; K458-Y737 PolarHBondContact O-OH 2.8Å
459	R	91.8	Very high	94.3	Very high	88 Å²	88	34.2 Å²	34.2	33%	0.332	16%	0.16	S	C	.	.	H	α-helix	trans	-82.4	-44.7	173.7	-66.7	168.4	-179.3	-143.4	9.2	111.1	E455 A456 M457 Q461 I524 R680	E455-R459 WeakPolarHBondContact O-CG 3.36Å; E455-R459 PolarHBondContact O-N 3.21Å; E455-R459 VanDerWaalsContact O-N 3.08Å; E455-R459 IonicContact OE1-CZ 3.62Å; E455-R459 IonicContact OE1-NE 2.92Å; E455-R459 PolarHBondContact OE1-NE 2.93Å; E455-R459 IonicContact OE1-NH2 2.69Å; E455-R459 PolarHBondContact OE1-NH2 3Å; A456-R459 CarbonylContact O-C 3.58Å; A456-R459 PolarHBondContact O-N 2.89Å; A456-R459 VanDerWaalsContact O-N 3.08Å; M457-R459 VanDerWaalsContact C-N 3.31Å; R459-Q461 PolarHBondContact O-N 3.01Å; R459-I524 HydrophobicContact CB-CD1 3.93Å; R459-R680 PolarHBondContact O-NH1 2.98Å
460	C	91.9	Very high	94.8	Very high	1 Å²	1	31 Å²	31	1%	0.007	15%	0.146	C	C	.	.			trans	-79.9	80.1	-175.5	-71	0	0	0	0	113.9	A456 I465 F518 C519 I524 F547	A456-C460 WeakPolarHBondContact O-CB 3.36Å; A456-C460 PolarHBondContact O-N 2.88Å; C460-I465 HydrophobicContact CB-CD1 3.94Å; C460-I465 HydrophobicContact CB-CG2 4.27Å; C460-F518 HydrophobicContact CB-CE1 4.41Å; C460-C519 VanDerWaalsContact SG-SG 3.63Å; C460-I524 WeakPolarHBondContact SG-CD1 3.36Å; C460-F547 HydrophobicContact CB-CZ 4.41Å
461	Q	91.9	Very high	95.2	Very high	46 Å²	46	32 Å²	32	22%	0.215	15%	0.152	C	C	.	.			trans	-104.3	100	170.6	-68.1	-177.7	-17.6	0	0	111.6	R459 Y673 R735 Y737	R459-Q461 PolarHBondContact O-N 3.01Å; Q461-Y673 VanDerWaalsContact O-CE1 3.26Å; Q461-Y673 WeakPolarHBondContact O-CE1 3.49Å; Q461-R735 VanDerWaalsContact CD-NH1 3.28Å; Q461-Y737 PolarHBondContact NE2-OH 3.41Å; Q461-Y737 VanDerWaalsContact NE2-OH 3.07Å
462	H	96.3	Very high	95.4	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.009	13%	0.133	C	C	.	.			trans	-138.4	154.1	-175.6	-173.6	-113.1	0	0	0	109.8	H464 I465 A515 F518 Y673	H462-H464 AromaticContact CE1-CD2 3.73Å; H462-H464 PolarHBondContact ND1-N 3.45Å; H462-H464 VanDerWaalsContact ND1-N 3.19Å; H462-H464 PolarHBondContact O-N 2.91Å; H462-I465 HydrophobicContact CB-CB 4.04Å; H462-I465 HydrophobicContact CB-CD1 3.72Å; H462-I465 HydrophobicContact CB-CG1 3.78Å; H462-I465 PolarHBondContact O-N 3.43Å; H462-A515 VanDerWaalsContact CE1-CA 3.45Å; H462-A515 WeakPolarHBondContact CE1-CA 3.35Å; H462-A515 PolarHBondContact CE1-N 3.21Å; H462-F518 HydrophobicContact CB-CD1 3.66Å; H462-F518 HydrophobicContact CB-CE1 3.84Å; H462-Y673 AromaticContact CD2-CD1 3.91Å; H462-Y673 AromaticContact CD2-CD2 3.51Å; H462-Y673 AromaticContact CD2-CE2 3.89Å; H462-Y673 AromaticContact CD2-CG 3.54Å; H462-Y673 AromaticContact NE2-CD2 3.86Å
463	P	96.3	Very high	95.5	Very high	31 Å²	31	31.9 Å²	31.9	20%	0.201	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.1	173.1	20.8	-34.7	0	0	0	113.9	K543 L669 Y673	P463-K543 WeakPolarHBondContact O-CD 3.31Å; P463-K543 PolarHBondContact O-NZ 3.44Å; P463-L669 HydrophobicContact CG-CD1 4.16Å; P463-L669 HydrophobicContact CG-CD2 4.32Å; P463-Y673 WeakPolarHBondContact CD-OH 3.49Å; P463-Y673 HydrophobicContact CG-CE2 4.19Å
464	H	98.1	Very high	95.5	Very high	15 Å²	15	34.5 Å²	34.5	7%	0.069	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	23.7	-176.8	-54.2	-62.8	0	0	0	114.4	H462 Q511 A515 I542 V544	H462-H464 AromaticContact CE1-CD2 3.73Å; H462-H464 PolarHBondContact ND1-N 3.45Å; H462-H464 VanDerWaalsContact ND1-N 3.19Å; H462-H464 PolarHBondContact O-N 2.91Å; H464-Q511 PolarHBondContact CE1-OE1 3.03Å; H464-Q511 VanDerWaalsContact CE1-OE1 3.3Å; H464-Q511 PolarHBondContact ND1-OE1 2.62Å; H464-A515 HydrophobicContact CB-CB 4.14Å; H464-I542 WeakPolarHBondContact CA-O 3.26Å; H464-I542 WeakPolarHBondContact CB-O 3.39Å; H464-I542 PolarHBondContact ND1-O 3.45Å; H464-I542 VanDerWaalsContact ND1-O 3.07Å; H464-V544 PolarHBondContact O-N 2.95Å
465	I	98.2	Very high	95.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-128	135.7	170.8	-61	175.4	0	0	0	107.7	C460 H462 R467 A515 F518 V544 F547	C460-I465 HydrophobicContact CB-CD1 3.94Å; C460-I465 HydrophobicContact CB-CG2 4.27Å; H462-I465 HydrophobicContact CB-CB 4.04Å; H462-I465 HydrophobicContact CB-CD1 3.72Å; H462-I465 HydrophobicContact CB-CG1 3.78Å; H462-I465 PolarHBondContact O-N 3.43Å; I465-R467 PolarHBondContact O-N 3.09Å; I465-R467 VanDerWaalsContact O-N 3.15Å; I465-A515 HydrophobicContact CD1-CB 4.32Å; I465-A515 HydrophobicContact CG1-CB 3.85Å; I465-F518 HydrophobicContact CD1-CD1 3.9Å; I465-F518 HydrophobicContact CD1-CE1 4.38Å; I465-V544 HydrophobicContact CG1-CB 4.33Å; I465-F547 HydrophobicContact CD1-CZ 4.48Å; I465-F547 HydrophobicContact CG2-CE2 3.63Å; I465-F547 HydrophobicContact CG2-CZ 3.72Å
466	I	97.5	Very high	95.3	Very high	10 Å²	10	40.8 Å²	40.8	5%	0.051	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-56.2	117.3	176.7	-71.7	-65.6	0	0	0	110.4	M457 T482 E483 A485 L535 K543 V544 A545	M457-I466 HydrophobicContact CE-CG2 4.15Å; M457-I466 WeakPolarHBondContact CE-O 3.42Å; I466-T482 HydrophobicContact CG2-CG2 4.18Å; I466-E483 HydrophobicContact CD1-CB 4.16Å; I466-E483 HydrophobicContact CD1-CG 4.48Å; I466-E483 HydrophobicContact CG2-CB 4.27Å; I466-A485 HydrophobicContact CD1-CB 4.17Å; I466-L535 HydrophobicContact CD1-CD1 4.13Å; I466-L535 HydrophobicContact CG1-CD1 4.23Å; I466-K543 HydrophobicContact CD1-CB 3.47Å; I466-K543 VanDerWaalsContact CD1-CB 3.47Å; I466-K543 HydrophobicContact CD1-CG 3.94Å; I466-K543 HydrophobicContact CG1-CB 3.76Å; I466-V544 PolarHBondContact N-O 3.3Å; I466-A545 HydrophobicContact CG1-CB 3.93Å
467	R	96.5	Very high	95.3	Very high	65 Å²	65	42.4 Å²	42.4	25%	0.245	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-74.4	145.2	179.1	-63.3	173.1	-150.4	143.9	17.4	112.1	I465 Y469 T482 E483 E749	I465-R467 PolarHBondContact O-N 3.09Å; I465-R467 VanDerWaalsContact O-N 3.15Å; R467-Y469 HydrophobicContact CB-CE1 4.43Å; R467-T482 CarbonylContact O-C 3.59Å; R467-T482 WeakPolarHBondContact O-CA 3.37Å; R467-T482 WeakPolarHBondContact O-CB 3.22Å; R467-E483 HydrophobicContact CB-CB 4.32Å; R467-E483 WeakPolarHBondContact CG-OE2 3.31Å; R467-E483 IonicContact CZ-OE1 2.82Å; R467-E483 PolarHBondContact N-OE2 2.78Å; R467-E483 IonicContact NE-OE2 3.2Å; R467-E483 IonicContact NH2-OE1 3.7Å; R467-E483 PolarHBondContact O-N 2.97Å; R467-E749 IonicContact CZ-OE1 2.71Å; R467-E749 IonicContact NH1-OE1 2.84Å; R467-E749 PolarHBondContact NH1-OE1 3.12Å; R467-E749 IonicContact NH1-OE2 3.2Å; R467-E749 PolarHBondContact NH1-OE2 3.33Å
468	L	97.5	Very high	95.3	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.047	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.3	166.7	-178	68.6	0	0	0	109.2	L454 M457 K458 V471 M480 T482 Y737	L454-L468 HydrophobicContact CD2-CD2 4.34Å; M457-L468 HydrophobicContact CB-CB 4.38Å; M457-L468 HydrophobicContact CB-CD2 4.38Å; M457-L468 HydrophobicContact CE-CB 4.39Å; K458-L468 HydrophobicContact CG-CD2 3.98Å; L468-V471 HydrophobicContact CD1-CG2 4.15Å; L468-V471 HydrophobicContact CD2-CG2 3.84Å; L468-V471 HydrophobicContact CG-CG2 4.31Å; L468-M480 HydrophobicContact CD1-CB 4.02Å; L468-M480 HydrophobicContact CD1-CE 4.36Å; L468-M480 HydrophobicContact CD1-CG 4.28Å; L468-T482 HydrophobicContact CD1-CG2 4.1Å; L468-Y737 HydrophobicContact CB-CD1 4.37Å; L468-Y737 HydrophobicContact CB-CE1 4.29Å; L468-Y737 HydrophobicContact CD2-CD1 4.08Å; L468-Y737 HydrophobicContact CD2-CE1 4.35Å; L468-Y737 HydrophobicContact CD2-CG 4.4Å; L468-Y737 HydrophobicContact CG-CD1 3.96Å; L468-Y737 HydrophobicContact CG-CE1 4.33Å; L468-Y737 WeakPolarHBondContact O-CD1 3.35Å; L468-Y737 VanDerWaalsContact O-CE1 3.27Å; L468-Y737 WeakPolarHBondContact O-CE1 3.12Å
469	Y	97.4	Very high	95.4	Very high	13 Å²	13	40 Å²	40	5%	0.051	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-42.1	176	-55.3	-68.8	0	0	0	112.6	V432 R467 V481 T482 E483 E745 L746 E749	V432-Y469 HydrophobicContact CG1-CD2 4.29Å; V432-Y469 HydrophobicContact CG1-CE2 4.31Å; R467-Y469 HydrophobicContact CB-CE1 4.43Å; Y469-V481 PolarHBondContact N-O 2.82Å; Y469-T482 VanDerWaalsContact CE2-C 3.47Å; Y469-E483 HydrophobicContact CE2-CB 4.28Å; Y469-E483 VanDerWaalsContact CE2-N 3.29Å; Y469-E745 HydrophobicContact CD1-CB 4.19Å; Y469-L746 HydrophobicContact CD1-CD2 4.18Å; Y469-L746 HydrophobicContact CD1-CG 4.38Å; Y469-L746 HydrophobicContact CD2-CD2 3.81Å; Y469-L746 HydrophobicContact CD2-CG 4.49Å; Y469-L746 HydrophobicContact CE1-CD2 4.05Å; Y469-L746 HydrophobicContact CE2-CD2 3.65Å; Y469-L746 HydrophobicContact CG-CD2 4.06Å; Y469-L746 HydrophobicContact CG-CG 4.32Å; Y469-E749 PolarHBondContact OH-OE2 3.34Å
470	H	97.7	Very high	95.7	Very high	13 Å²	13	35.9 Å²	35.9	6%	0.06	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	137.6	-171.1	-155.3	162.2	0	0	0	110.3	Y406 M472 V481 Y737 R739 A742	Y406-H470 AromaticContact CE2-ND1 3.48Å; Y406-H470 WeakPolarHBondContact CE2-ND1 3.44Å; Y406-H470 AromaticContact CZ-ND1 3.72Å; Y406-H470 PolarHBondContact OH-ND1 3.18Å; H470-M472 VanDerWaalsContact NE2-CG 3.3Å; H470-M472 WeakPolarHBondContact NE2-CG 3.33Å; H470-V481 HydrophobicContact CB-CB 3.83Å; H470-V481 HydrophobicContact CB-CG2 3.93Å; H470-V481 PolarHBondContact N-O 2.88Å; H470-V481 PolarHBondContact O-N 2.89Å; H470-Y737 CarbonylContact C-O 3.5Å; H470-Y737 VanDerWaalsContact CA-O 3.3Å; H470-Y737 WeakPolarHBondContact CA-O 3.45Å; H470-Y737 PolarHBondContact CD2-O 2.89Å; H470-Y737 VanDerWaalsContact CD2-O 3.25Å; H470-R739 WeakPolarHBondContact CE1-CA 3.01Å; H470-R739 PolarHBondContact CE1-N 2.85Å; H470-R739 VanDerWaalsContact CE1-N 3.3Å; H470-R739 PolarHBondContact NE2-N 3.31Å; H470-R739 VanDerWaalsContact NE2-N 3.2Å; H470-A742 HydrophobicContact CB-CB 3.81Å
471	V	97.2	Very high	96	Very high	33 Å²	33	35.9 Å²	35.9	20%	0.2	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.9	165.7	-172.6	0	0	0	0	107.7	L454 L468 I478 F479 Y737	L454-V471 HydrophobicContact CD2-CG1 4.02Å; L454-V471 HydrophobicContact CD2-CG2 3.62Å; L468-V471 HydrophobicContact CD1-CG2 4.15Å; L468-V471 HydrophobicContact CD2-CG2 3.84Å; L468-V471 HydrophobicContact CG-CG2 4.31Å; V471-I478 HydrophobicContact CG1-CG2 4.46Å; V471-F479 WeakPolarHBondContact CA-O 3.08Å; V471-Y737 PolarHBondContact N-O 2.73Å
472	M	96.9	Very high	96.3	Very high	25 Å²	25	34.3 Å²	34.3	12%	0.123	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.7	172.5	-58.1	172.8	-71.3	0	0	109.1	I403 Y406 H470 F479 V481	I403-M472 HydrophobicContact CG2-CE 3.85Å; I403-M472 HydrophobicContact CG2-SD 4.29Å; Y406-M472 HydrophobicContact CD2-CE 3.8Å; Y406-M472 HydrophobicContact CD2-SD 4.39Å; Y406-M472 HydrophobicContact CE2-CE 3.9Å; Y406-M472 HydrophobicContact CE2-SD 4.26Å; H470-M472 VanDerWaalsContact NE2-CG 3.3Å; H470-M472 WeakPolarHBondContact NE2-CG 3.33Å; M472-F479 HydrophobicContact CB-CB 4.2Å; M472-F479 HydrophobicContact CB-CD2 4.41Å; M472-F479 HydrophobicContact CE-CB 4.05Å; M472-F479 PolarHBondContact N-O 3.03Å; M472-F479 PolarHBondContact O-N 2.58Å; M472-V481 HydrophobicContact CE-CG2 3.77Å
473	E	94.3	Very high	96.3	Very high	130 Å²	130	35 Å²	35	61%	0.607	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.3	-178.6	-169	169.1	166.9	0	0	110.8	K439 I478	K439-E473 WeakPolarHBondContact CE-OE1 3.44Å; K439-E473 IonicContact NZ-OE1 3.65Å; K439-E473 PolarHBondContact NZ-OE1 2.93Å; E473-I478 HydrophobicContact CG-CG1 4.27Å
474	T	93.9	Very high	96.4	Very high	62 Å²	62	36.8 Å²	36.8	38%	0.38	18%	0.181	S	C	.	.			trans	-132.4	170.8	175.3	60	0	0	0	0	108.8	K439 S476 N477 F479	K439-T474 WeakPolarHBondContact CE-O 3.5Å; K439-T474 PolarHBondContact NZ-O 3.41Å; T474-S476 PolarHBondContact O-N 2.94Å; T474-N477 PolarHBondContact N-O 3.47Å; T474-N477 WeakPolarHBondContact OG1-CA 3.5Å; T474-N477 PolarHBondContact OG1-N 2.7Å; T474-N477 PolarHBondContact OG1-O 3.38Å; T474-F479 HydrophobicContact CG2-CE2 3.9Å
475	E	91.2	Very high	96.3	Very high	192 Å²	192	36.5 Å²	36.5	90%	0.897	18%	0.181	S	C	*	.	S	Bend	trans	-52.6	-40.4	179.6	-63.6	-174.6	172.6	0	0	112.9	K439	K439-E475 VanDerWaalsContact CD-O 3.24Å; K439-E475 WeakPolarHBondContact CD-O 3.41Å
476	S	92.1	Very high	96.1	Very high	46 Å²	46	38 Å²	38	32%	0.322	19%	0.191	S	C	.	.	S	Bend	trans	-109.7	-16.1	-173.6	54.3	0	0	0	0	115.5	K439 T474	K439-S476 PolarHBondContact N-O 2.65Å; T474-S476 PolarHBondContact O-N 2.94Å
477	N	94.8	Very high	95.9	Very high	35 Å²	35	39.7 Å²	39.7	19%	0.187	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.7	-176.1	-59.8	-90.1	0	0	0	113.6	M437 N438 T474 F479	M437-N477 CarbonylContact O-C 3.4Å; M437-N477 VanDerWaalsContact O-CA 3.22Å; M437-N477 WeakPolarHBondContact O-CA 3.43Å; N438-N477 WeakPolarHBondContact CA-OD1 3.22Å; N438-N477 PolarHBondContact ND2-OD1 3.33Å; T474-N477 PolarHBondContact N-O 3.47Å; T474-N477 WeakPolarHBondContact OG1-CA 3.5Å; T474-N477 PolarHBondContact OG1-N 2.7Å; T474-N477 PolarHBondContact OG1-O 3.38Å; N477-F479 HydrophobicContact CB-CD2 4.45Å; N477-F479 HydrophobicContact CB-CE1 4.45Å; N477-F479 HydrophobicContact CB-CE2 3.63Å; N477-F479 HydrophobicContact CB-CZ 3.62Å
478	I	95.6	Very high	95.8	Very high	11 Å²	11	38 Å²	38	6%	0.056	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	139.3	167	-60.6	168	0	0	0	107.7	M437 K439 L447 V450 V471 E473	M437-I478 HydrophobicContact CB-CB 4.32Å; M437-I478 HydrophobicContact CE-CB 4.38Å; M437-I478 HydrophobicContact CE-CG2 4.01Å; M437-I478 PolarHBondContact N-O 3.22Å; M437-I478 PolarHBondContact O-N 3.44Å; K439-I478 HydrophobicContact CG-CD1 4.29Å; K439-I478 HydrophobicContact CG-CG1 4.15Å; L447-I478 HydrophobicContact CD2-CD1 4.31Å; V450-I478 HydrophobicContact CG1-CD1 3.94Å; V471-I478 HydrophobicContact CG1-CG2 4.46Å; E473-I478 HydrophobicContact CG-CG1 4.27Å
479	F	97.1	Very high	95.6	Very high	13 Å²	13	40.9 Å²	40.9	6%	0.057	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	116.3	178.7	-56.2	-92.3	0	0	0	109.4	I403 I434 I436 V471 M472 T474 N477	I403-F479 HydrophobicContact CD1-CD1 3.92Å; I403-F479 HydrophobicContact CD1-CE1 3.23Å; I403-F479 HydrophobicContact CD1-CZ 3.64Å; I403-F479 HydrophobicContact CG2-CD1 4.26Å; I403-F479 HydrophobicContact CG2-CD2 4.4Å; I403-F479 HydrophobicContact CG2-CE1 4.32Å; I403-F479 HydrophobicContact CG2-CE2 4.44Å; I403-F479 HydrophobicContact CG2-CG 4.33Å; I403-F479 HydrophobicContact CG2-CZ 4.41Å; I434-F479 HydrophobicContact CG2-CB 4.49Å; I434-F479 HydrophobicContact CG2-CD1 4.41Å; I436-F479 HydrophobicContact CB-CD1 4.29Å; I436-F479 HydrophobicContact CB-CE1 4.31Å; I436-F479 HydrophobicContact CD1-CD1 4.48Å; I436-F479 HydrophobicContact CD1-CE1 4.28Å; I436-F479 HydrophobicContact CG1-CD1 3.91Å; I436-F479 HydrophobicContact CG1-CE1 4.08Å; I436-F479 HydrophobicContact CG2-CD1 3.97Å; I436-F479 HydrophobicContact CG2-CE1 3.55Å; I436-F479 HydrophobicContact CG2-CZ 4.35Å; V471-F479 WeakPolarHBondContact CA-O 3.08Å; M472-F479 HydrophobicContact CB-CB 4.2Å; M472-F479 HydrophobicContact CB-CD2 4.41Å; M472-F479 HydrophobicContact CE-CB 4.05Å; M472-F479 PolarHBondContact N-O 3.03Å; M472-F479 PolarHBondContact O-N 2.58Å; T474-F479 HydrophobicContact CG2-CE2 3.9Å; N477-F479 HydrophobicContact CB-CD2 4.45Å; N477-F479 HydrophobicContact CB-CE1 4.45Å; N477-F479 HydrophobicContact CB-CE2 3.63Å; N477-F479 HydrophobicContact CB-CZ 3.62Å
480	M	97.2	Very high	95.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119	172.1	-71.2	164.7	62.3	0	0	109	I434 K435 M437 E453 L454 M457 L468	I434-M480 CarbonylContact C-O 3.58Å; I434-M480 WeakPolarHBondContact CA-O 3.5Å; K435-M480 HydrophobicContact CB-CB 4.32Å; K435-M480 PolarHBondContact N-O 3.27Å; K435-M480 PolarHBondContact O-N 2.8Å; M437-M480 HydrophobicContact CE-CG 4.19Å; M437-M480 HydrophobicContact CE-SD 3.36Å; M437-M480 WeakPolarHBondContact CE-SD 3.31Å; E453-M480 HydrophobicContact CG-CE 4.33Å; E453-M480 WeakPolarHBondContact OE1-CE 3.34Å; L454-M480 HydrophobicContact CD2-CE 3.94Å; L454-M480 HydrophobicContact CD2-CG 3.63Å; L454-M480 HydrophobicContact CD2-SD 3.61Å; L454-M480 HydrophobicContact CG-CE 4.5Å; L454-M480 HydrophobicContact CG-SD 4.04Å; M457-M480 HydrophobicContact SD-CE 3.35Å; M457-M480 WeakPolarHBondContact SD-CE 3.37Å; L468-M480 HydrophobicContact CD1-CB 4.02Å; L468-M480 HydrophobicContact CD1-CE 4.36Å; L468-M480 HydrophobicContact CD1-CG 4.28Å
481	V	98.1	Very high	95.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.1	177.1	-173.4	0	0	0	0	109.1	Y406 V432 A433 I434 Y469 H470 M472	Y406-V481 HydrophobicContact CD1-CG1 4.29Å; Y406-V481 HydrophobicContact CD2-CG2 4.12Å; Y406-V481 HydrophobicContact CE1-CG1 3.72Å; Y406-V481 HydrophobicContact CE2-CB 4.46Å; Y406-V481 HydrophobicContact CE2-CG1 4.27Å; Y406-V481 HydrophobicContact CE2-CG2 3.7Å; V432-V481 HydrophobicContact CB-CG1 3.7Å; V432-V481 HydrophobicContact CG1-CG1 3.97Å; V432-V481 HydrophobicContact CG2-CG1 3.7Å; A433-V481 CarbonylContact O-C 3.32Å; A433-V481 WeakPolarHBondContact O-CA 3.21Å; I434-V481 HydrophobicContact CD1-CG2 4.43Å; I434-V481 HydrophobicContact CG1-CG1 4.19Å; I434-V481 HydrophobicContact CG1-CG2 4.17Å; I434-V481 HydrophobicContact CG2-CG2 4.49Å; Y469-V481 PolarHBondContact N-O 2.82Å; H470-V481 HydrophobicContact CB-CB 3.83Å; H470-V481 HydrophobicContact CB-CG2 3.93Å; H470-V481 PolarHBondContact N-O 2.88Å; H470-V481 PolarHBondContact O-N 2.89Å; M472-V481 HydrophobicContact CE-CG2 3.77Å
482	T	97.9	Very high	94.7	Very high	14 Å²	14	44.4 Å²	44.4	9%	0.086	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	170.1	-169.5	65.7	0	0	0	0	112.6	V432 A433 M457 I466 R467 L468 Y469	V432-T482 WeakPolarHBondContact CB-O 3.39Å; A433-T482 PolarHBondContact N-O 3.05Å; A433-T482 PolarHBondContact O-N 3.21Å; M457-T482 HydrophobicContact CE-CG2 4.01Å; I466-T482 HydrophobicContact CG2-CG2 4.18Å; R467-T482 CarbonylContact O-C 3.59Å; R467-T482 WeakPolarHBondContact O-CA 3.37Å; R467-T482 WeakPolarHBondContact O-CB 3.22Å; L468-T482 HydrophobicContact CD1-CG2 4.1Å; Y469-T482 VanDerWaalsContact CE2-C 3.47Å
483	E	97.3	Very high	94.4	Very high	17 Å²	17	45.2 Å²	45.2	8%	0.079	23%	0.234	C	C	.	.			trans	-50.8	144.6	167.3	-167.4	170.9	-177.5	0	0	111.3	I466 R467 Y469 K543	I466-E483 HydrophobicContact CD1-CB 4.16Å; I466-E483 HydrophobicContact CD1-CG 4.48Å; I466-E483 HydrophobicContact CG2-CB 4.27Å; R467-E483 HydrophobicContact CB-CB 4.32Å; R467-E483 WeakPolarHBondContact CG-OE2 3.31Å; R467-E483 IonicContact CZ-OE1 2.82Å; R467-E483 PolarHBondContact N-OE2 2.78Å; R467-E483 IonicContact NE-OE2 3.2Å; R467-E483 IonicContact NH2-OE1 3.7Å; R467-E483 PolarHBondContact O-N 2.97Å; Y469-E483 HydrophobicContact CE2-CB 4.28Å; Y469-E483 VanDerWaalsContact CE2-N 3.29Å; E483-K543 VanDerWaalsContact OE1-CE 3.29Å; E483-K543 WeakPolarHBondContact OE1-CE 3.32Å; E483-K543 IonicContact OE1-NZ 2.81Å; E483-K543 PolarHBondContact OE1-NZ 3.25Å
484	Y	97.3	Very high	94.3	Very high	67 Å²	67	39.7 Å²	39.7	26%	0.263	21%	0.209	S	C	.	.			trans	-109.4	103.1	178.9	172.4	-120.5	0	0	0	110.4	L412 L422 K431 S486	L412-Y484 HydrophobicContact CD1-CD2 3.84Å; L412-Y484 HydrophobicContact CD1-CE2 3.75Å; L412-Y484 HydrophobicContact CD2-CE2 3.95Å; L422-Y484 HydrophobicContact CD1-CD1 3.99Å; L422-Y484 HydrophobicContact CD1-CD2 3.85Å; L422-Y484 HydrophobicContact CD1-CE1 3.95Å; L422-Y484 HydrophobicContact CD1-CE2 3.84Å; L422-Y484 HydrophobicContact CD1-CG 3.94Å; K431-Y484 HydrophobicContact CB-CD1 3.87Å; K431-Y484 HydrophobicContact CD-CD1 4.34Å; K431-Y484 HydrophobicContact CD-CE1 4.26Å; Y484-S486 PolarHBondContact O-N 3.3Å
485	A	96.9	Very high	93.9	Very high	10 Å²	10	40 Å²	40	8%	0.083	21%	0.214	C	C	.	.			trans	-76.2	107.8	171.6	0	0	0	0	0	109.8	I466 L535 L536 K543	I466-A485 HydrophobicContact CD1-CB 4.17Å; A485-L535 HydrophobicContact CB-CB 3.43Å; A485-L535 VanDerWaalsContact CB-CB 3.43Å; A485-L535 HydrophobicContact CB-CD1 4Å; A485-L535 HydrophobicContact CB-CG 4.36Å; A485-L536 CarbonylContact C-O 3.18Å; A485-L536 WeakPolarHBondContact CB-O 3.27Å; A485-K543 HydrophobicContact CB-CG 4.31Å
486	S	94.4	Very high	93.5	Very high	31 Å²	31	37 Å²	37	22%	0.217	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.6	-164.9	57.3	0	0	0	0	115.7	Y484 L536 A538	Y484-S486 PolarHBondContact O-N 3.3Å; S486-L536 PolarHBondContact N-O 3.14Å; S486-A538 WeakPolarHBondContact OG-CA 3.45Å; S486-A538 PolarHBondContact OG-N 2.98Å
487	K	93.6	Very high	92.5	Very high	47 Å²	47	38 Å²	38	20%	0.204	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-1.6	177.9	-52.4	-69	-170.2	-156.8	0	113.4	H493 L536 D537 A538 I947 N948	K487-H493 PolarHBondContact O-NE2 2.81Å; K487-L536 HydrophobicContact CB-CB 3.79Å; K487-L536 WeakPolarHBondContact CB-O 3.4Å; K487-L536 HydrophobicContact CG-CB 4.39Å; K487-L536 PolarHBondContact N-O 2.66Å; K487-D537 WeakPolarHBondContact CG-O 3.49Å; K487-A538 WeakPolarHBondContact CE-O 3.16Å; K487-A538 PolarHBondContact NZ-O 3.03Å; K487-I947 PolarHBondContact NZ-O 3.1Å; K487-N948 WeakPolarHBondContact CD-OD1 3.2Å; K487-N948 PolarHBondContact NZ-OD1 3.13Å
488	G	93.1	Very high	91.8	Very high	28 Å²	28	43.7 Å²	43.7	29%	0.289	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	80.9	-153.9	-179.5	0	0	0	0	0	113.9	L535 L536	G488-L535 CarbonylContact O-C 3.6Å; G488-L535 VanDerWaalsContact O-CA 3.31Å; G488-L535 WeakPolarHBondContact O-CA 3.41Å; G488-L536 PolarHBondContact O-N 3.38Å
489	E	93.9	Very high	91.5	Very high	70 Å²	70	45 Å²	45	33%	0.327	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	141.2	-173.2	-59.9	177.5	-161.1	0	0	111.6	F491 D492 H493 E532 L535	E489-F491 PolarHBondContact O-N 2.88Å; E489-D492 WeakPolarHBondContact O-CB 3.32Å; E489-D492 PolarHBondContact O-N 3.49Å; E489-H493 PolarHBondContact O-CD2 3Å; E489-H493 PolarHBondContact O-N 3.14Å; E489-E532 WeakPolarHBondContact CG-O 3.45Å; E489-E532 WeakPolarHBondContact OE2-CA 3.32Å; E489-E532 WeakPolarHBondContact OE2-CB 3.28Å; E489-L535 HydrophobicContact CB-CD2 4.33Å; E489-L535 HydrophobicContact CG-CD2 3.62Å
490	V	93.5	Very high	91.3	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-55.6	-34.2	175	167.7	0	0	0	0	111.2	D492 H493 I494 F500 A531 L534 L536 I542 L596	V490-D492 VanDerWaalsContact C-N 3.34Å; V490-D492 PolarHBondContact O-N 2.77Å; V490-H493 PolarHBondContact O-N 2.84Å; V490-I494 HydrophobicContact CG1-CD1 3.95Å; V490-I494 HydrophobicContact CG1-CG1 4.39Å; V490-I494 WeakPolarHBondContact O-CG1 3.32Å; V490-I494 PolarHBondContact O-N 2.91Å; V490-I494 VanDerWaalsContact O-N 3.11Å; V490-F500 HydrophobicContact CG1-CE2 4.32Å; V490-A531 PolarHBondContact N-O 3.08Å; V490-L534 HydrophobicContact CB-CB 4.08Å; V490-L534 HydrophobicContact CG2-CB 3.79Å; V490-L534 WeakPolarHBondContact CG2-O 3.46Å; V490-L534 PolarHBondContact N-O 2.97Å; V490-L536 HydrophobicContact CG2-CD1 3.85Å; V490-L536 HydrophobicContact CG2-CD2 4.3Å; V490-L536 HydrophobicContact CG2-CG 3.78Å; V490-I542 HydrophobicContact CG2-CD1 3.74Å; V490-L596 HydrophobicContact CG1-CD2 3.82Å
491	F	90.9	Very high	91.2	Very high	49 Å²	49	49 Å²	49	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-58.3	-40	175.1	-172.5	-93.6	0	0	0	113.6	E489 S495 A531 E532	E489-F491 PolarHBondContact O-N 2.88Å; F491-S495 VanDerWaalsContact O-CB 3.31Å; F491-S495 WeakPolarHBondContact O-CB 3.35Å; F491-S495 PolarHBondContact O-N 2.96Å; F491-S495 PolarHBondContact O-OG 2.95Å; F491-A531 HydrophobicContact CB-CB 3.88Å; F491-A531 HydrophobicContact CD2-CB 4.09Å; F491-A531 PolarHBondContact N-O 2.6Å; F491-E532 HydrophobicContact CB-CG 4.18Å; F491-E532 HydrophobicContact CG-CG 4.21Å
492	D	89.5	Confident	91.2	Very high	83 Å²	83	50.7 Å²	50.7	44%	0.444	28%	0.28	S	S	.	.	H	α-helix	trans	-66	-38.9	176.5	-82.7	-25.8	0	0	0	111.3	E489 V490 S495 L496	E489-D492 WeakPolarHBondContact O-CB 3.32Å; E489-D492 PolarHBondContact O-N 3.49Å; V490-D492 VanDerWaalsContact C-N 3.34Å; V490-D492 PolarHBondContact O-N 2.77Å; D492-S495 PolarHBondContact O-N 3.1Å; D492-L496 WeakPolarHBondContact O-CB 3.32Å; D492-L496 WeakPolarHBondContact O-CD1 3.4Å; D492-L496 VanDerWaalsContact O-CG 3.22Å; D492-L496 WeakPolarHBondContact O-CG 3.48Å; D492-L496 PolarHBondContact O-N 2.81Å; D492-L496 VanDerWaalsContact O-N 3.14Å
493	H	90.6	Very high	91.1	Very high	43 Å²	43	56.5 Å²	56.5	20%	0.199	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-53.6	176.8	-71.7	-85.4	0	0	0	110.8	K487 E489 V490 S495 L496 S497 F500 F540	K487-H493 PolarHBondContact O-NE2 2.81Å; E489-H493 PolarHBondContact O-CD2 3Å; E489-H493 PolarHBondContact O-N 3.14Å; V490-H493 PolarHBondContact O-N 2.84Å; H493-S495 PolarHBondContact O-N 3.41Å; H493-L496 CarbonylContact O-C 3.28Å; H493-L496 PolarHBondContact O-N 3.3Å; H493-S497 PolarHBondContact O-N 3Å; H493-S497 PolarHBondContact O-OG 3.11Å; H493-F500 HydrophobicContact CB-CZ 4.05Å; H493-F540 AromaticContact CE1-CE2 3.89Å; H493-F540 AromaticContact ND1-CE2 3.78Å
494	I	91	Very high	91	Very high	13 Å²	13	59.9 Å²	59.9	7%	0.067	32%	0.32	C	S	.	.	H	α-helix	trans	-55.9	-39.4	178.5	-60.3	171.9	0	0	0	111.2	V490 L496 H498 F500 I595 L596	V490-I494 HydrophobicContact CG1-CD1 3.95Å; V490-I494 HydrophobicContact CG1-CG1 4.39Å; V490-I494 WeakPolarHBondContact O-CG1 3.32Å; V490-I494 PolarHBondContact O-N 2.91Å; V490-I494 VanDerWaalsContact O-N 3.11Å; I494-L496 VanDerWaalsContact C-N 3.25Å; I494-L496 PolarHBondContact O-N 3.26Å; I494-H498 CarbonylContact O-C 3.48Å; I494-H498 WeakPolarHBondContact O-CA 3.05Å; I494-H498 PolarHBondContact O-N 3.37Å; I494-F500 HydrophobicContact CD1-CD2 4.49Å; I494-F500 HydrophobicContact CD1-CE2 4.26Å; I494-F500 HydrophobicContact CG1-CD2 3.96Å; I494-F500 HydrophobicContact CG1-CE2 3.58Å; I494-I595 HydrophobicContact CD1-CG2 3.87Å; I494-L596 HydrophobicContact CD1-CD2 4.08Å
495	S	85.4	Confident	91	Very high	70 Å²	70	56.7 Å²	56.7	49%	0.49	31%	0.307	S	S	.	.	H	α-helix	trans	-68.2	-17.7	177.7	-61.2	0	0	0	0	114.5	F491 D492 H493	F491-S495 VanDerWaalsContact O-CB 3.31Å; F491-S495 WeakPolarHBondContact O-CB 3.35Å; F491-S495 PolarHBondContact O-N 2.96Å; F491-S495 PolarHBondContact O-OG 2.95Å; D492-S495 PolarHBondContact O-N 3.1Å; H493-S495 PolarHBondContact O-N 3.41Å
496	L	84.2	Confident	91.1	Very high	128 Å²	128	57 Å²	57	67%	0.67	31%	0.306	S	S	*	.	H	α-helix	trans	-112.9	-38.1	-176.2	-70	171.9	0	0	0	113.8	D492 H493 I494	D492-L496 WeakPolarHBondContact O-CB 3.32Å; D492-L496 WeakPolarHBondContact O-CD1 3.4Å; D492-L496 VanDerWaalsContact O-CG 3.22Å; D492-L496 WeakPolarHBondContact O-CG 3.48Å; D492-L496 PolarHBondContact O-N 2.81Å; D492-L496 VanDerWaalsContact O-N 3.14Å; H493-L496 CarbonylContact O-C 3.28Å; H493-L496 PolarHBondContact O-N 3.3Å; I494-L496 VanDerWaalsContact C-N 3.25Å; I494-L496 PolarHBondContact O-N 3.26Å
497	S	71.1	Confident	91.2	Very high	67 Å²	67	56.9 Å²	56.9	47%	0.469	30%	0.302	S	S	.	.	H	α-helix	trans	-90.6	-13.9	-178.7	59.3	0	0	0	0	114	H493	H493-S497 PolarHBondContact O-N 3Å; H493-S497 PolarHBondContact O-OG 3.11Å
498	H	79.9	Confident	91.4	Very high	154 Å²	154	54.9 Å²	54.9	71%	0.713	29%	0.294	S	S	*	.			trans	69.1	179.7	-153.6	-42.4	76.4	0	0	0	111.4	I494	I494-H498 CarbonylContact O-C 3.48Å; I494-H498 WeakPolarHBondContact O-CA 3.05Å; I494-H498 PolarHBondContact O-N 3.37Å
499	A	88.6	Confident	91.7	Very high	39 Å²	39	53.6 Å²	53.6	32%	0.322	28%	0.28	S	S	.	.	S	Bend	trans	-53.9	147.3	-179.4	0	0	0	0	0	113
500	F	93.5	Very high	91.9	Very high	18 Å²	18	50.2 Å²	50.2	8%	0.079	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-70	151.3	174.3	-70.1	-76.8	0	0	0	110.9	V490 H493 I494 E504 A505 L508 F540 L596	V490-F500 HydrophobicContact CG1-CE2 4.32Å; H493-F500 HydrophobicContact CB-CZ 4.05Å; I494-F500 HydrophobicContact CD1-CD2 4.49Å; I494-F500 HydrophobicContact CD1-CE2 4.26Å; I494-F500 HydrophobicContact CG1-CD2 3.96Å; I494-F500 HydrophobicContact CG1-CE2 3.58Å; F500-E504 HydrophobicContact CB-CB 4.22Å; F500-E504 HydrophobicContact CD1-CB 4.12Å; F500-A505 HydrophobicContact CB-CB 4.14Å; F500-L508 HydrophobicContact CD1-CD1 4.34Å; F500-L508 HydrophobicContact CD2-CD1 4.34Å; F500-L508 HydrophobicContact CE1-CD1 4.11Å; F500-L508 HydrophobicContact CE2-CD1 4.09Å; F500-L508 HydrophobicContact CG-CD1 4.44Å; F500-L508 HydrophobicContact CZ-CD1 3.98Å; F500-F540 AromaticContact CE1-CE1 3.81Å; F500-F540 HydrophobicContact CE1-CE1 3.81Å; F500-F540 AromaticContact CE1-CZ 3.78Å; F500-F540 HydrophobicContact CE1-CZ 3.78Å; F500-F540 HydrophobicContact CZ-CE1 4.2Å; F500-F540 AromaticContact CZ-CZ 4Å; F500-F540 HydrophobicContact CZ-CZ 4Å; F500-L596 HydrophobicContact CD2-CD2 3.51Å; F500-L596 HydrophobicContact CE2-CD2 3.7Å; F500-L596 PolarHBondContact N-O 3.3Å
501	T	94.9	Very high	92.1	Very high	81 Å²	81	50.3 Å²	50.3	50%	0.497	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-64.4	151.7	164.8	66.6	0	0	0	0	109.5	K503 E504 A505	T501-K503 PolarHBondContact O-N 3.4Å; T501-K503 VanDerWaalsContact O-N 3.1Å; T501-E504 VanDerWaalsContact CB-OE2 3.3Å; T501-E504 WeakPolarHBondContact CB-OE2 3.32Å; T501-E504 WeakPolarHBondContact CG2-OE2 3.41Å; T501-E504 PolarHBondContact N-OE2 3.23Å; T501-E504 PolarHBondContact O-N 3.39Å; T501-E504 WeakPolarHBondContact OG1-CG 3.07Å; T501-E504 PolarHBondContact OG1-N 2.87Å; T501-E504 PolarHBondContact OG1-OE2 3.04Å; T501-A505 WeakPolarHBondContact O-CB 3.03Å; T501-A505 PolarHBondContact O-N 3.3Å
502	E	97.2	Very high	92.5	Very high	34 Å²	34	48 Å²	48	16%	0.159	26%	0.255	C	S	.	.	H	α-helix	trans	-55.5	-33.4	179.2	-72.2	-171.7	-157.2	0	0	113	R506 V597 L626 S627 C630 W656	E502-R506 WeakPolarHBondContact O-CB 3.16Å; E502-R506 PolarHBondContact O-N 3.45Å; E502-V597 HydrophobicContact CG-CG1 4.18Å; E502-L626 WeakPolarHBondContact OE1-CA 3.41Å; E502-S627 PolarHBondContact OE1-N 3.44Å; E502-S627 PolarHBondContact OE1-OG 3.18Å; E502-S627 WeakPolarHBondContact OE2-CB 3.31Å; E502-S627 PolarHBondContact OE2-OG 2.83Å; E502-C630 WeakPolarHBondContact OE2-CB 3.22Å; E502-W656 HydrophobicContact CB-CZ2 4.07Å; E502-W656 HydrophobicContact CG-CZ2 4.47Å; E502-W656 WeakPolarHBondContact O-CZ2 3.42Å; E502-W656 PolarHBondContact OE2-NE1 3.29Å
503	K	96.8	Very high	92.9	Very high	136 Å²	136	44.1 Å²	44.1	59%	0.591	23%	0.234	S	C	*	.	H	α-helix	trans	-64.5	-43.7	176.4	-174.8	177.2	179.5	178.3	0	112.2	T501 E507	T501-K503 PolarHBondContact O-N 3.4Å; T501-K503 VanDerWaalsContact O-N 3.1Å; K503-E507 PolarHBondContact O-N 3.12Å
504	E	95.3	Very high	93.3	Very high	88 Å²	88	42 Å²	42	41%	0.411	22%	0.224	S	C	.	.	H	α-helix	trans	-70.5	-45.4	176.9	-66.5	158.2	139.6	0	0	110.7	F500 T501 R506 E507 L508	F500-E504 HydrophobicContact CB-CB 4.22Å; F500-E504 HydrophobicContact CD1-CB 4.12Å; T501-E504 VanDerWaalsContact CB-OE2 3.3Å; T501-E504 WeakPolarHBondContact CB-OE2 3.32Å; T501-E504 WeakPolarHBondContact CG2-OE2 3.41Å; T501-E504 PolarHBondContact N-OE2 3.23Å; T501-E504 PolarHBondContact O-N 3.39Å; T501-E504 WeakPolarHBondContact OG1-CG 3.07Å; T501-E504 PolarHBondContact OG1-N 2.87Å; T501-E504 PolarHBondContact OG1-OE2 3.04Å; E504-R506 VanDerWaalsContact C-N 3.26Å; E504-R506 PolarHBondContact O-N 3.08Å; E504-E507 PolarHBondContact O-N 2.93Å; E504-L508 WeakPolarHBondContact O-CG 3.38Å; E504-L508 PolarHBondContact O-N 3.23Å
505	A	97.2	Very high	93.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-57	-40.1	176.3	0	0	0	0	0	111.7	F500 T501 L508 F509 L596 V597 W656	F500-A505 HydrophobicContact CB-CB 4.14Å; T501-A505 WeakPolarHBondContact O-CB 3.03Å; T501-A505 PolarHBondContact O-N 3.3Å; A505-L508 PolarHBondContact O-N 2.88Å; A505-F509 WeakPolarHBondContact O-CB 3.08Å; A505-F509 PolarHBondContact O-N 3.16Å; A505-L596 HydrophobicContact CB-CB 4.05Å; A505-V597 HydrophobicContact CB-CG1 3.56Å; A505-W656 HydrophobicContact CB-CH2 4.39Å
506	R	98.1	Very high	94.2	Very high	17 Å²	17	38.1 Å²	38.1	6%	0.064	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-44.7	177	-176.3	-176.3	-58.8	157.1	-3.2	113.1	E502 E504 L508 F509 W510 W656 E659	E502-R506 WeakPolarHBondContact O-CB 3.16Å; E502-R506 PolarHBondContact O-N 3.45Å; E504-R506 VanDerWaalsContact C-N 3.26Å; E504-R506 PolarHBondContact O-N 3.08Å; R506-L508 VanDerWaalsContact C-N 3.35Å; R506-F509 PolarHBondContact O-N 2.88Å; R506-W510 PolarHBondContact O-N 3.44Å; R506-W656 HydrophobicContact CB-CE3 4.49Å; R506-W656 HydrophobicContact CB-CH2 3.56Å; R506-W656 HydrophobicContact CB-CZ2 3.84Å; R506-W656 HydrophobicContact CB-CZ3 3.91Å; R506-W656 WeakPolarHBondContact CD-O 3.44Å; R506-W656 HydrophobicContact CG-CE3 4.3Å; R506-W656 HydrophobicContact CG-CH2 4.23Å; R506-W656 HydrophobicContact CG-CZ3 4.08Å; R506-W656 PolarHBondContact NE-O 3.1Å; R506-E659 VanDerWaalsContact CZ-CB 3.41Å; R506-E659 IonicContact CZ-OE2 2.7Å; R506-E659 VanDerWaalsContact CZ-OE2 3.31Å; R506-E659 PolarHBondContact NH1-O 3.41Å; R506-E659 IonicContact NH1-OE2 3.18Å; R506-E659 PolarHBondContact NH1-OE2 2.94Å; R506-E659 IonicContact NH2-OE2 3.37Å; R506-E659 PolarHBondContact NH2-OE2 3.37Å
507	E	97.7	Very high	94.9	Very high	28 Å²	28	32.9 Å²	32.9	13%	0.131	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-37.9	176.4	-69.6	-58.4	128.1	0	0	112.1	K503 E504 Q511 S660 N662 Y666	K503-E507 PolarHBondContact O-N 3.12Å; E504-E507 PolarHBondContact O-N 2.93Å; E507-Q511 VanDerWaalsContact O-CG 3.3Å; E507-Q511 WeakPolarHBondContact O-CG 3.34Å; E507-Q511 PolarHBondContact O-NE2 3.49Å; E507-S660 VanDerWaalsContact OE1-CB 3.32Å; E507-S660 WeakPolarHBondContact OE1-CB 3.17Å; E507-S660 PolarHBondContact OE1-OG 3.26Å; E507-N662 PolarHBondContact OE2-ND2 2.98Å; E507-Y666 PolarHBondContact O-OH 3.35Å; E507-Y666 WeakPolarHBondContact OE2-CE2 3.16Å; E507-Y666 PolarHBondContact OE2-OH 3.49Å
508	L	97.7	Very high	96.1	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-68.8	-43	172.5	-63.4	175.4	0	0	0	111.1	F500 E504 A505 R506 Q511 I512 L536 F540 I542 L596	F500-L508 HydrophobicContact CD1-CD1 4.34Å; F500-L508 HydrophobicContact CD2-CD1 4.34Å; F500-L508 HydrophobicContact CE1-CD1 4.11Å; F500-L508 HydrophobicContact CE2-CD1 4.09Å; F500-L508 HydrophobicContact CG-CD1 4.44Å; F500-L508 HydrophobicContact CZ-CD1 3.98Å; E504-L508 WeakPolarHBondContact O-CG 3.38Å; E504-L508 PolarHBondContact O-N 3.23Å; A505-L508 PolarHBondContact O-N 2.88Å; R506-L508 VanDerWaalsContact C-N 3.35Å; L508-Q511 WeakPolarHBondContact O-CB 3.36Å; L508-Q511 PolarHBondContact O-N 3.01Å; L508-Q511 VanDerWaalsContact O-N 3.15Å; L508-I512 WeakPolarHBondContact O-CG1 3.41Å; L508-I512 PolarHBondContact O-N 3.46Å; L508-L536 HydrophobicContact CD2-CD2 3.96Å; L508-F540 HydrophobicContact CD1-CE1 4.31Å; L508-F540 HydrophobicContact CD2-CD1 4.26Å; L508-F540 HydrophobicContact CD2-CE1 4.39Å; L508-I542 HydrophobicContact CB-CD1 4.27Å; L508-I542 HydrophobicContact CB-CG1 4.16Å; L508-I542 HydrophobicContact CD2-CD1 4.02Å; L508-I542 HydrophobicContact CD2-CG1 3.86Å; L508-L596 HydrophobicContact CD1-CD2 4.31Å
509	F	98.3	Very high	96.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-69.4	-35.5	-175.5	-162.5	-109.3	0	0	0	112.9	A505 R506 Q511 I512 V513 L589 L593 L596 M637 V651 W656 M657	A505-F509 WeakPolarHBondContact O-CB 3.08Å; A505-F509 PolarHBondContact O-N 3.16Å; R506-F509 PolarHBondContact O-N 2.88Å; F509-Q511 PolarHBondContact O-N 3.41Å; F509-I512 HydrophobicContact CD2-CD1 4.24Å; F509-I512 PolarHBondContact O-N 3.12Å; F509-V513 HydrophobicContact CD1-CG2 3.98Å; F509-V513 HydrophobicContact CE1-CG2 3.73Å; F509-V513 HydrophobicContact CZ-CG2 4.1Å; F509-V513 WeakPolarHBondContact O-CB 3.35Å; F509-V513 WeakPolarHBondContact O-CG2 3.49Å; F509-V513 PolarHBondContact O-N 2.92Å; F509-L589 HydrophobicContact CE2-CB 4.03Å; F509-L589 HydrophobicContact CE2-CD2 4.28Å; F509-L589 WeakPolarHBondContact CE2-O 3.47Å; F509-L589 HydrophobicContact CZ-CB 3.95Å; F509-L593 HydrophobicContact CB-CD1 4.39Å; F509-L593 HydrophobicContact CD1-CD1 4.47Å; F509-L593 HydrophobicContact CD1-CD2 4.24Å; F509-L593 HydrophobicContact CD2-CB 4.04Å; F509-L593 HydrophobicContact CD2-CD1 4.27Å; F509-L593 HydrophobicContact CE1-CD2 4.06Å; F509-L593 HydrophobicContact CE2-CB 3.74Å; F509-L593 HydrophobicContact CG-CD1 4.13Å; F509-L593 HydrophobicContact CZ-CB 4Å; F509-L593 HydrophobicContact CZ-CD2 4.31Å; F509-L596 HydrophobicContact CD2-CD1 4.36Å; F509-M637 HydrophobicContact CE1-CE 3.93Å; F509-M637 HydrophobicContact CE1-SD 4.04Å; F509-M637 HydrophobicContact CZ-CE 3.69Å; F509-M637 HydrophobicContact CZ-SD 3.69Å; F509-V651 HydrophobicContact CE1-CG1 4.14Å; F509-W656 HydrophobicContact CB-CZ3 4.46Å; F509-W656 HydrophobicContact CD1-CZ3 4.31Å; F509-M657 HydrophobicContact CD1-CE 4.03Å; F509-M657 HydrophobicContact CD1-SD 3.8Å; F509-M657 HydrophobicContact CE1-SD 4.45Å
510	W	98.2	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57	-46.2	167.3	-94.4	113.2	0	0	0	112.4	R506 I512 V513 C514 T652 M657 V663 Y666	R506-W510 PolarHBondContact O-N 3.44Å; W510-I512 VanDerWaalsContact C-N 3.33Å; W510-I512 PolarHBondContact O-N 3.3Å; W510-V513 PolarHBondContact O-N 3.07Å; W510-C514 PolarHBondContact O-N 3.12Å; W510-C514 PolarHBondContact O-SG 3.48Å; W510-T652 HydrophobicContact CE3-CG2 4.24Å; W510-T652 HydrophobicContact CH2-CG2 3.87Å; W510-T652 HydrophobicContact CZ3-CG2 3.52Å; W510-M657 HydrophobicContact CB-CE 4.48Å; W510-M657 HydrophobicContact CD2-CE 3.52Å; W510-M657 HydrophobicContact CE3-CE 3.95Å; W510-M657 HydrophobicContact CG-CE 3.73Å; W510-M657 HydrophobicContact CZ2-CB 3.98Å; W510-M657 HydrophobicContact CZ2-CE 4.27Å; W510-M657 PolarHBondContact NE1-O 3.41Å; W510-V663 HydrophobicContact CZ2-CG1 4.12Å; W510-V663 HydrophobicContact CZ2-CG2 4.07Å; W510-Y666 HydrophobicContact CB-CD1 4.04Å; W510-Y666 HydrophobicContact CB-CD2 3.46Å; W510-Y666 VanDerWaalsContact CB-CD2 3.46Å; W510-Y666 HydrophobicContact CB-CE1 4.13Å; W510-Y666 HydrophobicContact CB-CE2 3.54Å; W510-Y666 HydrophobicContact CB-CG 3.73Å; W510-Y666 AromaticContact CD1-CD2 3.79Å; W510-Y666 AromaticContact CD2-CD2 3.74Å; W510-Y666 HydrophobicContact CD2-CD2 3.74Å; W510-Y666 AromaticContact CD2-CG 3.95Å; W510-Y666 HydrophobicContact CD2-CG 3.95Å; W510-Y666 HydrophobicContact CE3-CD2 4.28Å; W510-Y666 HydrophobicContact CE3-CG 4.02Å; W510-Y666 AromaticContact CG-CD2 3.38Å; W510-Y666 HydrophobicContact CG-CD2 3.38Å; W510-Y666 AromaticContact CG-CE2 3.8Å; W510-Y666 HydrophobicContact CG-CE2 3.8Å; W510-Y666 AromaticContact CG-CG 3.88Å; W510-Y666 HydrophobicContact CG-CG 3.88Å
511	Q	98.4	Very high	97.3	Very high	3 Å²	3	21.5 Å²	21.5	1%	0.014	11%	0.107	C	C	.	.	H	α-helix	trans	-63.6	-38.2	178.7	-64.5	167	51	0	0	112.2	H464 E507 L508 F509 A515 K541 I542 Y666	H464-Q511 PolarHBondContact CE1-OE1 3.03Å; H464-Q511 VanDerWaalsContact CE1-OE1 3.3Å; H464-Q511 PolarHBondContact ND1-OE1 2.62Å; E507-Q511 VanDerWaalsContact O-CG 3.3Å; E507-Q511 WeakPolarHBondContact O-CG 3.34Å; E507-Q511 PolarHBondContact O-NE2 3.49Å; L508-Q511 WeakPolarHBondContact O-CB 3.36Å; L508-Q511 PolarHBondContact O-N 3.01Å; L508-Q511 VanDerWaalsContact O-N 3.15Å; F509-Q511 PolarHBondContact O-N 3.41Å; Q511-A515 PolarHBondContact O-N 3.14Å; Q511-K541 VanDerWaalsContact OE1-CA 3.3Å; Q511-I542 HydrophobicContact CB-CB 3.98Å; Q511-I542 HydrophobicContact CB-CG1 4.17Å; Q511-Y666 HydrophobicContact CG-CE1 3.81Å
512	I	98.6	Very high	97.3	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-63.7	-52.4	172.8	-60	161.9	0	0	0	109.9	L508 F509 W510 C514 A515 I516 L534 I542 L589 I592 L596	L508-I512 WeakPolarHBondContact O-CG1 3.41Å; L508-I512 PolarHBondContact O-N 3.46Å; F509-I512 HydrophobicContact CD2-CD1 4.24Å; F509-I512 PolarHBondContact O-N 3.12Å; W510-I512 VanDerWaalsContact C-N 3.33Å; W510-I512 PolarHBondContact O-N 3.3Å; I512-C514 PolarHBondContact O-N 3.42Å; I512-A515 WeakPolarHBondContact O-CA 3.22Å; I512-A515 WeakPolarHBondContact O-CB 3.4Å; I512-A515 PolarHBondContact O-N 2.84Å; I512-I516 HydrophobicContact CG2-CG1 4.17Å; I512-I516 WeakPolarHBondContact O-CG1 3.33Å; I512-I516 PolarHBondContact O-N 3.38Å; I512-L534 HydrophobicContact CD1-CD1 3.57Å; I512-L534 HydrophobicContact CD1-CD2 4.46Å; I512-L534 HydrophobicContact CG1-CD1 4.15Å; I512-L534 HydrophobicContact CG1-CD2 4.13Å; I512-L534 HydrophobicContact CG2-CD2 4.35Å; I512-I542 HydrophobicContact CD1-CD1 4.24Å; I512-I542 HydrophobicContact CG1-CB 4.43Å; I512-I542 HydrophobicContact CG1-CD1 4.12Å; I512-I542 HydrophobicContact CG1-CG1 3.99Å; I512-I542 HydrophobicContact CG1-CG2 3.76Å; I512-L589 HydrophobicContact CG2-CD2 3.3Å; I512-I592 HydrophobicContact CD1-CG2 4.22Å; I512-L596 HydrophobicContact CD1-CD1 4.39Å
513	V	98.4	Very high	97.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.4	-43	-178.2	167.6	0	0	0	0	111.7	F509 W510 A515 I516 E517 L648 T652 M657	F509-V513 HydrophobicContact CD1-CG2 3.98Å; F509-V513 HydrophobicContact CE1-CG2 3.73Å; F509-V513 HydrophobicContact CZ-CG2 4.1Å; F509-V513 WeakPolarHBondContact O-CB 3.35Å; F509-V513 WeakPolarHBondContact O-CG2 3.49Å; F509-V513 PolarHBondContact O-N 2.92Å; W510-V513 PolarHBondContact O-N 3.07Å; V513-A515 VanDerWaalsContact C-N 3.29Å; V513-A515 PolarHBondContact O-N 3.43Å; V513-I516 PolarHBondContact O-N 3.39Å; V513-E517 WeakPolarHBondContact O-CB 3.45Å; V513-E517 PolarHBondContact O-N 2.75Å; V513-L648 HydrophobicContact CG1-CD2 4.29Å; V513-L648 HydrophobicContact CG2-CD2 4.46Å; V513-T652 HydrophobicContact CG1-CG2 3.55Å; V513-M657 HydrophobicContact CG2-CE 4.3Å
514	C	98.3	Very high	97.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.2	-37	173.7	-67	0	0	0	0	112.7	W510 I512 F518 L669	W510-C514 PolarHBondContact O-N 3.12Å; W510-C514 PolarHBondContact O-SG 3.48Å; I512-C514 PolarHBondContact O-N 3.42Å; C514-F518 WeakPolarHBondContact O-CB 3.48Å; C514-F518 PolarHBondContact O-N 3.05Å; C514-L669 HydrophobicContact CB-CD2 4.38Å
515	A	98.2	Very high	97.1	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-68.7	-44	176.8	0	0	0	0	0	112.4	H462 H464 I465 Q511 I512 V513 F518 C519 V544	H462-A515 VanDerWaalsContact CE1-CA 3.45Å; H462-A515 WeakPolarHBondContact CE1-CA 3.35Å; H462-A515 PolarHBondContact CE1-N 3.21Å; H464-A515 HydrophobicContact CB-CB 4.14Å; I465-A515 HydrophobicContact CD1-CB 4.32Å; I465-A515 HydrophobicContact CG1-CB 3.85Å; Q511-A515 PolarHBondContact O-N 3.14Å; I512-A515 WeakPolarHBondContact O-CA 3.22Å; I512-A515 WeakPolarHBondContact O-CB 3.4Å; I512-A515 PolarHBondContact O-N 2.84Å; V513-A515 VanDerWaalsContact C-N 3.29Å; V513-A515 PolarHBondContact O-N 3.43Å; A515-F518 PolarHBondContact O-N 3.18Å; A515-C519 PolarHBondContact O-N 3.26Å; A515-C519 PolarHBondContact O-SG 3.42Å; A515-V544 HydrophobicContact CB-CG2 3.75Å
516	I	98.2	Very high	97.1	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-75.1	-38.8	-176.9	-54.5	-46.5	0	0	0	111.6	I512 V513 F518 C519 H520 L529 V544 D585 L589 L648	I512-I516 HydrophobicContact CG2-CG1 4.17Å; I512-I516 WeakPolarHBondContact O-CG1 3.33Å; I512-I516 PolarHBondContact O-N 3.38Å; V513-I516 PolarHBondContact O-N 3.39Å; I516-F518 PolarHBondContact O-N 3.09Å; I516-C519 WeakPolarHBondContact O-CA 3.42Å; I516-C519 WeakPolarHBondContact O-CB 3.46Å; I516-C519 PolarHBondContact O-N 2.93Å; I516-C519 VanDerWaalsContact O-N 3.08Å; I516-H520 VanDerWaalsContact CG2-CE1 3.47Å; I516-H520 WeakPolarHBondContact CG2-CE1 3.48Å; I516-H520 WeakPolarHBondContact CG2-NE2 3.39Å; I516-H520 PolarHBondContact O-N 3.13Å; I516-L529 HydrophobicContact CD1-CD1 3.96Å; I516-L529 HydrophobicContact CD1-CD2 3.57Å; I516-L529 HydrophobicContact CD1-CG 4.43Å; I516-L529 HydrophobicContact CG1-CD1 3.93Å; I516-L529 HydrophobicContact CG1-CD2 4.33Å; I516-L529 HydrophobicContact CG2-CD1 4.13Å; I516-V544 HydrophobicContact CD1-CG1 4.17Å; I516-V544 HydrophobicContact CD1-CG2 4.13Å; I516-D585 HydrophobicContact CG2-CB 4.32Å; I516-L589 HydrophobicContact CB-CD1 4.28Å; I516-L589 HydrophobicContact CG1-CD1 4.24Å; I516-L589 HydrophobicContact CG1-CD2 4.32Å; I516-L589 HydrophobicContact CG2-CD1 4.27Å; I516-L648 HydrophobicContact CB-CD1 4.29Å; I516-L648 HydrophobicContact CG2-CD1 4.09Å
517	E	97.2	Very high	96.9	Very high	19 Å²	19	6.4 Å²	6.4	9%	0.089	4%	0.036	C	C	.	.	H	α-helix	trans	-57.5	-38.8	170.5	171.5	72.4	175.4	0	0	111.1	V513 H520 A521 L648 R649 M670 Q674	V513-E517 WeakPolarHBondContact O-CB 3.45Å; V513-E517 PolarHBondContact O-N 2.75Å; E517-H520 PolarHBondContact O-N 3.14Å; E517-A521 WeakPolarHBondContact O-CB 3.27Å; E517-A521 PolarHBondContact O-N 3.16Å; E517-L648 HydrophobicContact CB-CD1 3.94Å; E517-R649 IonicContact OE1-CZ 2.68Å; E517-R649 IonicContact OE1-NE 2.64Å; E517-R649 PolarHBondContact OE1-NE 3.3Å; E517-R649 IonicContact OE1-NH2 2.86Å; E517-R649 PolarHBondContact OE1-NH2 3.19Å; E517-M670 HydrophobicContact CB-CG 4.25Å; E517-M670 HydrophobicContact CB-SD 4.2Å; E517-M670 HydrophobicContact CG-CG 3.67Å; E517-M670 HydrophobicContact CG-SD 3.9Å; E517-Q674 PolarHBondContact OE1-NE2 2.9Å
518	F	97.3	Very high	96.8	Very high	2 Å²	2	5.1 Å²	5.1	1%	0.009	3%	0.03	C	C	.	.	H	α-helix	trans	-70.3	-34	175.6	172.4	-116	0	0	0	113.2	C460 H462 I465 C514 A515 I516 S522 Y673 A677	C460-F518 HydrophobicContact CB-CE1 4.41Å; H462-F518 HydrophobicContact CB-CD1 3.66Å; H462-F518 HydrophobicContact CB-CE1 3.84Å; I465-F518 HydrophobicContact CD1-CD1 3.9Å; I465-F518 HydrophobicContact CD1-CE1 4.38Å; C514-F518 WeakPolarHBondContact O-CB 3.48Å; C514-F518 PolarHBondContact O-N 3.05Å; A515-F518 PolarHBondContact O-N 3.18Å; I516-F518 PolarHBondContact O-N 3.09Å; F518-S522 VanDerWaalsContact O-CB 3.29Å; F518-S522 WeakPolarHBondContact O-CB 3.41Å; F518-S522 PolarHBondContact O-N 3.19Å; F518-S522 VanDerWaalsContact O-N 3.11Å; F518-S522 PolarHBondContact O-OG 2.92Å; F518-Y673 HydrophobicContact CD2-CD1 4.13Å; F518-Y673 HydrophobicContact CD2-CG 4.38Å; F518-Y673 WeakPolarHBondContact CD2-O 3.27Å; F518-Y673 HydrophobicContact CE2-CD1 4.01Å; F518-Y673 HydrophobicContact CG-CD1 4.44Å; F518-Y673 HydrophobicContact CZ-CD1 4.2Å; F518-A677 HydrophobicContact CD2-CB 4.11Å; F518-A677 HydrophobicContact CE2-CB 4.07Å
519	C	97.1	Very high	96.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-62.4	-52.2	168.8	-70.6	0	0	0	0	110.9	C460 A515 I516 A521 S522 G523 I524	C460-C519 VanDerWaalsContact SG-SG 3.63Å; A515-C519 PolarHBondContact O-N 3.26Å; A515-C519 PolarHBondContact O-SG 3.42Å; I516-C519 WeakPolarHBondContact O-CA 3.42Å; I516-C519 WeakPolarHBondContact O-CB 3.46Å; I516-C519 PolarHBondContact O-N 2.93Å; I516-C519 VanDerWaalsContact O-N 3.08Å; C519-A521 PolarHBondContact O-N 2.81Å; C519-S522 CarbonylContact O-C 3.58Å; C519-S522 WeakPolarHBondContact O-CA 3.04Å; C519-S522 WeakPolarHBondContact O-CB 3.41Å; C519-S522 PolarHBondContact O-N 3.12Å; C519-G523 PolarHBondContact O-N 2.94Å; C519-I524 CarbonylContact C-O 3.18Å; C519-I524 HydrophobicContact CB-CB 4.43Å; C519-I524 WeakPolarHBondContact CB-O 3.47Å; C519-I524 PolarHBondContact O-N 2.81Å
520	H	96.3	Very high	96.7	Very high	17 Å²	17	6.3 Å²	6.3	8%	0.079	4%	0.035	C	C	.	.	H	α-helix	trans	-59.5	-48	-179.3	-66.6	177.2	0	0	0	111.2	I516 E517 S522 G523 I524 F553 T582 D585 L648	I516-H520 VanDerWaalsContact CG2-CE1 3.47Å; I516-H520 WeakPolarHBondContact CG2-CE1 3.48Å; I516-H520 WeakPolarHBondContact CG2-NE2 3.39Å; I516-H520 PolarHBondContact O-N 3.13Å; E517-H520 PolarHBondContact O-N 3.14Å; H520-S522 PolarHBondContact O-N 2.79Å; H520-S522 VanDerWaalsContact O-N 3.16Å; H520-G523 PolarHBondContact O-N 3.42Å; H520-I524 PolarHBondContact CD2-O 3.01Å; H520-I524 PolarHBondContact N-O 3.17Å; H520-F553 WeakPolarHBondContact O-CZ 3.12Å; H520-T582 HydrophobicContact CB-CG2 4.21Å; H520-T582 VanDerWaalsContact CE1-CA 3.48Å; H520-T582 WeakPolarHBondContact CE1-CA 3.21Å; H520-D585 IonicContact CD2-OD2 2.83Å; H520-D585 IonicContact CE1-OD2 3.92Å; H520-D585 WeakPolarHBondContact NE2-CB 3.36Å; H520-D585 IonicContact NE2-OD2 2.9Å; H520-D585 PolarHBondContact NE2-OD2 3.02Å; H520-L648 WeakPolarHBondContact ND1-CD1 3.19Å
521	A	94.1	Very high	96.4	Very high	20 Å²	20	6.4 Å²	6.4	17%	0.165	4%	0.036	C	C	.	.	H	α-helix	trans	-63.8	-17.6	174	0	0	0	0	0	114	E517 C519 G523 Q674 A677 Q681	E517-A521 WeakPolarHBondContact O-CB 3.27Å; E517-A521 PolarHBondContact O-N 3.16Å; C519-A521 PolarHBondContact O-N 2.81Å; A521-G523 VanDerWaalsContact C-N 3.34Å; A521-Q674 HydrophobicContact CB-CG 3.99Å; A521-A677 HydrophobicContact CB-CB 3.88Å; A521-A677 WeakPolarHBondContact O-CB 3.22Å; A521-Q681 PolarHBondContact O-NE2 3.38Å; A521-Q681 VanDerWaalsContact O-NE2 3.1Å; A521-Q681 PolarHBondContact O-OE1 3.35Å
522	S	94.6	Very high	96.1	Very high	10 Å²	10	8.8 Å²	8.8	7%	0.07	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	4.3	172.1	-60.1	0	0	0	0	113.4	F518 C519 H520	F518-S522 VanDerWaalsContact O-CB 3.29Å; F518-S522 WeakPolarHBondContact O-CB 3.41Å; F518-S522 PolarHBondContact O-N 3.19Å; F518-S522 VanDerWaalsContact O-N 3.11Å; F518-S522 PolarHBondContact O-OG 2.92Å; C519-S522 CarbonylContact O-C 3.58Å; C519-S522 WeakPolarHBondContact O-CA 3.04Å; C519-S522 WeakPolarHBondContact O-CB 3.41Å; C519-S522 PolarHBondContact O-N 3.12Å; H520-S522 PolarHBondContact O-N 2.79Å; H520-S522 VanDerWaalsContact O-N 3.16Å
523	G	93.8	Very high	96	Very high	8 Å²	8	9.4 Å²	9.4	8%	0.082	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	28.2	-174.2	0	0	0	0	0	113.5	C519 H520 A521 F552 F553	C519-G523 PolarHBondContact O-N 2.94Å; H520-G523 PolarHBondContact O-N 3.42Å; A521-G523 VanDerWaalsContact C-N 3.34Å; G523-F552 VanDerWaalsContact O-CA 3.27Å; G523-F552 WeakPolarHBondContact O-CA 3.47Å; G523-F553 WeakPolarHBondContact O-CD1 3.35Å; G523-F553 PolarHBondContact O-N 3.35Å
524	I	95.5	Very high	96	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126	-177.3	-62.9	161.3	0	0	0	110.1	A456 R459 C460 C519 H520 F547 C550 N551 F552	A456-I524 HydrophobicContact CB-CD1 4.08Å; A456-I524 HydrophobicContact CB-CG2 4.28Å; R459-I524 HydrophobicContact CB-CD1 3.93Å; C460-I524 WeakPolarHBondContact SG-CD1 3.36Å; C519-I524 CarbonylContact C-O 3.18Å; C519-I524 HydrophobicContact CB-CB 4.43Å; C519-I524 WeakPolarHBondContact CB-O 3.47Å; C519-I524 PolarHBondContact O-N 2.81Å; H520-I524 PolarHBondContact CD2-O 3.01Å; H520-I524 PolarHBondContact N-O 3.17Å; I524-F547 HydrophobicContact CG2-CD1 4.47Å; I524-F547 HydrophobicContact CG2-CE1 4.48Å; I524-C550 HydrophobicContact CG2-CB 4.3Å; I524-N551 WeakPolarHBondContact CA-O 3.48Å; I524-F552 HydrophobicContact CD1-CD1 4.49Å; I524-F552 HydrophobicContact CD1-CE1 3.91Å; I524-F552 HydrophobicContact CG1-CD1 3.63Å; I524-F552 HydrophobicContact CG1-CE1 3.51Å
525	V	96.4	Very high	95.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	142.3	167.3	-72.8	0	0	0	0	110	R527 C550 N551 F553 L559 T582	V525-R527 HydrophobicContact CB-CG 3.99Å; V525-R527 HydrophobicContact CG2-CG 3.8Å; V525-C550 CarbonylContact O-C 3.49Å; V525-C550 WeakPolarHBondContact O-CA 3.34Å; V525-C550 WeakPolarHBondContact O-CB 3.24Å; V525-N551 HydrophobicContact CG2-CB 4.26Å; V525-N551 PolarHBondContact N-O 3.14Å; V525-N551 PolarHBondContact O-N 3.15Å; V525-F553 HydrophobicContact CB-CD1 4.44Å; V525-F553 HydrophobicContact CG1-CD1 3.67Å; V525-F553 HydrophobicContact CG1-CE1 3.71Å; V525-F553 HydrophobicContact CG1-CG 4.38Å; V525-F553 HydrophobicContact CG1-CZ 4.46Å; V525-F553 HydrophobicContact CG2-CD1 4.27Å; V525-L559 HydrophobicContact CG2-CD1 3.72Å; V525-T582 HydrophobicContact CG1-CG2 3.87Å
526	H	96.3	Very high	95.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.			trans	-85.3	-49.2	-171.2	-171.6	-55.3	0	0	0	111.5	D528 L529 N533 V544 A545 D546 F549 C550 D585	H526-D528 PolarHBondContact CE1-O 2.81Å; H526-D528 PolarHBondContact ND1-N 2.78Å; H526-D528 PolarHBondContact O-N 3.03Å; H526-L529 HydrophobicContact CB-CD1 4.44Å; H526-L529 HydrophobicContact CB-CD2 3.72Å; H526-L529 HydrophobicContact CB-CG 3.88Å; H526-L529 VanDerWaalsContact CG-CD2 3.41Å; H526-N533 PolarHBondContact CE1-ND2 2.99Å; H526-V544 WeakPolarHBondContact NE2-CG1 3.23Å; H526-A545 PolarHBondContact CE1-O 3.37Å; H526-A545 VanDerWaalsContact CE1-O 3.28Å; H526-A545 PolarHBondContact NE2-O 2.63Å; H526-D546 PolarHBondContact CE1-O 2.84Å; H526-F549 CarbonylContact O-C 3.52Å; H526-C550 WeakPolarHBondContact O-CA 3.16Å; H526-C550 PolarHBondContact O-N 2.8Å; H526-D585 PolarHBondContact N-OD2 2.88Å
527	R	95.1	Very high	95.7	Very high	20 Å²	20	12.3 Å²	12.3	8%	0.075	7%	0.065	C	C	.	.	S	Bend	trans	63.2	12.8	172.4	-42.7	-173.1	-56.5	156.9	3	116.1	V525 F549 T561 C563 G564 Y579 D585	V525-R527 HydrophobicContact CB-CG 3.99Å; V525-R527 HydrophobicContact CG2-CG 3.8Å; R527-F549 PolarHBondContact NE-O 3.03Å; R527-F549 VanDerWaalsContact NE-O 3.11Å; R527-F549 PolarHBondContact NH2-O 3.3Å; R527-T561 PolarHBondContact NH1-O 3.13Å; R527-T561 VanDerWaalsContact NH1-O 3.16Å; R527-T561 PolarHBondContact NH1-OG1 2.95Å; R527-C563 PolarHBondContact NH2-SG 3.25Å; R527-C563 VanDerWaalsContact NH2-SG 3.35Å; R527-G564 WeakPolarHBondContact O-CA 3.3Å; R527-G564 PolarHBondContact O-N 3.32Å; R527-Y579 WeakPolarHBondContact CD-OH 3.23Å; R527-Y579 PolarHBondContact NH1-OH 2.83Å; R527-D585 WeakPolarHBondContact CA-OD1 3.39Å; R527-D585 PolarHBondContact N-OD1 2.95Å
528	D	95.4	Very high	95.4	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.011	8%	0.081	C	C	.	.			trans	-145.3	45.3	164.7	-167.2	42.9	0	0	0	109.8	H526 K530 N533 F549 S565	H526-D528 PolarHBondContact CE1-O 2.81Å; H526-D528 PolarHBondContact ND1-N 2.78Å; H526-D528 PolarHBondContact O-N 3.03Å; D528-K530 PolarHBondContact O-N 3.34Å; D528-K530 IonicContact OD1-NZ 2.73Å; D528-K530 IonicContact OD2-NZ 2.65Å; D528-K530 PolarHBondContact OD2-NZ 2.81Å; D528-N533 PolarHBondContact O-ND2 2.94Å; D528-N533 PolarHBondContact OD2-ND2 3.33Å; D528-F549 HydrophobicContact CB-CB 4.08Å; D528-F549 HydrophobicContact CB-CD2 3.72Å; D528-F549 HydrophobicContact CB-CG 4.24Å; D528-S565 WeakPolarHBondContact OD1-CB 3.36Å; D528-S565 PolarHBondContact OD1-N 3.45Å; D528-S565 PolarHBondContact OD1-OG 2.76Å
529	L	97	Very high	95.1	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	11%	0.114	C	C	.	.			trans	-71	115.9	174.6	-65.6	177.9	0	0	0	109.6	I516 H526 V544 D585 L589 I592	I516-L529 HydrophobicContact CD1-CD1 3.96Å; I516-L529 HydrophobicContact CD1-CD2 3.57Å; I516-L529 HydrophobicContact CD1-CG 4.43Å; I516-L529 HydrophobicContact CG1-CD1 3.93Å; I516-L529 HydrophobicContact CG1-CD2 4.33Å; I516-L529 HydrophobicContact CG2-CD1 4.13Å; H526-L529 HydrophobicContact CB-CD1 4.44Å; H526-L529 HydrophobicContact CB-CD2 3.72Å; H526-L529 HydrophobicContact CB-CG 3.88Å; H526-L529 VanDerWaalsContact CG-CD2 3.41Å; L529-V544 HydrophobicContact CD2-CG1 4.28Å; L529-D585 HydrophobicContact CD1-CB 3.76Å; L529-L589 HydrophobicContact CD1-CD2 4.13Å; L529-L589 HydrophobicContact CD1-CG 4.05Å; L529-I592 HydrophobicContact CB-CD1 3.94Å
530	K	95.5	Very high	94.9	Very high	28 Å²	28	23.4 Å²	23.4	12%	0.122	13%	0.129	C	C	.	.			trans	-153.3	160.9	-178.4	66.1	-167.6	-170.2	-147	0	110.8	D528 E532 N533 L534 S565 Y568	D528-K530 PolarHBondContact O-N 3.34Å; D528-K530 IonicContact OD1-NZ 2.73Å; D528-K530 IonicContact OD2-NZ 2.65Å; D528-K530 PolarHBondContact OD2-NZ 2.81Å; K530-E532 WeakPolarHBondContact CB-OE2 3.36Å; K530-E532 HydrophobicContact CD-CB 4.4Å; K530-E532 WeakPolarHBondContact CD-OE1 3.41Å; K530-E532 HydrophobicContact CG-CB 4.12Å; K530-E532 PolarHBondContact O-N 2.87Å; K530-N533 WeakPolarHBondContact CE-ND2 3.49Å; K530-N533 WeakPolarHBondContact CE-OD1 3.17Å; K530-N533 HydrophobicContact CG-CB 3.91Å; K530-N533 PolarHBondContact O-N 3.41Å; K530-L534 PolarHBondContact O-N 3.19Å; K530-S565 WeakPolarHBondContact CD-OG 3.44Å; K530-S565 PolarHBondContact NZ-OG 3.12Å; K530-S565 VanDerWaalsContact NZ-OG 3.16Å; K530-Y568 HydrophobicContact CB-CD1 4.11Å; K530-Y568 HydrophobicContact CB-CD2 3.63Å; K530-Y568 HydrophobicContact CB-CE1 3.85Å; K530-Y568 HydrophobicContact CB-CE2 3.33Å; K530-Y568 HydrophobicContact CB-CG 4Å; K530-Y568 VanDerWaalsContact CB-CZ 3.42Å
531	A	93.3	Very high	94.9	Very high	2 Å²	2	26.5 Å²	26.5	2%	0.017	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-63	-23.8	-176.6	0	0	0	0	0	113.6	V490 F491 Y568	V490-A531 PolarHBondContact N-O 3.08Å; F491-A531 HydrophobicContact CB-CB 3.88Å; F491-A531 HydrophobicContact CD2-CB 4.09Å; F491-A531 PolarHBondContact N-O 2.6Å; A531-Y568 PolarHBondContact N-OH 2.66Å; A531-Y568 VanDerWaalsContact N-OH 3.11Å
532	E	92.3	Very high	95.1	Very high	54 Å²	54	25.6 Å²	25.6	25%	0.252	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-72.5	-32.7	173.4	-48.3	95	98.8	0	0	112.5	E489 F491 K530 L534 Y568	E489-E532 WeakPolarHBondContact CG-O 3.45Å; E489-E532 WeakPolarHBondContact OE2-CA 3.32Å; E489-E532 WeakPolarHBondContact OE2-CB 3.28Å; F491-E532 HydrophobicContact CB-CG 4.18Å; F491-E532 HydrophobicContact CG-CG 4.21Å; K530-E532 WeakPolarHBondContact CB-OE2 3.36Å; K530-E532 HydrophobicContact CD-CB 4.4Å; K530-E532 WeakPolarHBondContact CD-OE1 3.41Å; K530-E532 HydrophobicContact CG-CB 4.12Å; K530-E532 PolarHBondContact O-N 2.87Å; E532-L534 VanDerWaalsContact C-N 3.27Å; E532-L534 PolarHBondContact O-N 3.05Å; E532-Y568 PolarHBondContact OE2-OH 3.03Å
533	N	95.7	Very high	95.3	Very high	14 Å²	14	25.5 Å²	25.5	8%	0.075	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-87.6	6.6	177.3	-72.4	-9.4	0	0	0	112.8	H526 D528 K530 A545	H526-N533 PolarHBondContact CE1-ND2 2.99Å; D528-N533 PolarHBondContact O-ND2 2.94Å; D528-N533 PolarHBondContact OD2-ND2 3.33Å; K530-N533 WeakPolarHBondContact CE-ND2 3.49Å; K530-N533 WeakPolarHBondContact CE-OD1 3.17Å; K530-N533 HydrophobicContact CG-CB 3.91Å; K530-N533 PolarHBondContact O-N 3.41Å; N533-A545 PolarHBondContact O-N 3.43Å
534	L	97.3	Very high	95.5	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.1	172.3	-64.4	177.6	0	0	0	108.5	V490 I512 K530 E532 I542 V544 I592	V490-L534 HydrophobicContact CB-CB 4.08Å; V490-L534 HydrophobicContact CG2-CB 3.79Å; V490-L534 WeakPolarHBondContact CG2-O 3.46Å; V490-L534 PolarHBondContact N-O 2.97Å; I512-L534 HydrophobicContact CD1-CD1 3.57Å; I512-L534 HydrophobicContact CD1-CD2 4.46Å; I512-L534 HydrophobicContact CG1-CD1 4.15Å; I512-L534 HydrophobicContact CG1-CD2 4.13Å; I512-L534 HydrophobicContact CG2-CD2 4.35Å; K530-L534 PolarHBondContact O-N 3.19Å; E532-L534 VanDerWaalsContact C-N 3.27Å; E532-L534 PolarHBondContact O-N 3.05Å; L534-I542 HydrophobicContact CD2-CG2 4.3Å; L534-V544 HydrophobicContact CD2-CG2 3.85Å; L534-I592 HydrophobicContact CD1-CD1 4.19Å; L534-I592 HydrophobicContact CD1-CG2 3.79Å
535	L	97.1	Very high	95.5	Very high	37 Å²	37	25.8 Å²	25.8	19%	0.194	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	160.8	178.5	-47.3	-178.1	0	0	0	110.9	I466 A485 G488 E489 I542 K543 A545	I466-L535 HydrophobicContact CD1-CD1 4.13Å; I466-L535 HydrophobicContact CG1-CD1 4.23Å; A485-L535 HydrophobicContact CB-CB 3.43Å; A485-L535 VanDerWaalsContact CB-CB 3.43Å; A485-L535 HydrophobicContact CB-CD1 4Å; A485-L535 HydrophobicContact CB-CG 4.36Å; G488-L535 CarbonylContact O-C 3.6Å; G488-L535 VanDerWaalsContact O-CA 3.31Å; G488-L535 WeakPolarHBondContact O-CA 3.41Å; E489-L535 HydrophobicContact CB-CD2 4.33Å; E489-L535 HydrophobicContact CG-CD2 3.62Å; L535-I542 CarbonylContact O-C 3.58Å; L535-I542 WeakPolarHBondContact O-CA 3.16Å; L535-K543 HydrophobicContact CB-CB 4.34Å; L535-K543 PolarHBondContact N-O 3.14Å; L535-K543 PolarHBondContact O-N 2.9Å; L535-A545 HydrophobicContact CD1-CB 3.86Å; L535-A545 HydrophobicContact CG-CB 3.95Å
536	L	96.9	Very high	95.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.1	176.6	-73.6	166.1	0	0	0	111.3	A485 S486 K487 G488 V490 L508 F540 K541 I542	A485-L536 CarbonylContact C-O 3.18Å; A485-L536 WeakPolarHBondContact CB-O 3.27Å; S486-L536 PolarHBondContact N-O 3.14Å; K487-L536 HydrophobicContact CB-CB 3.79Å; K487-L536 WeakPolarHBondContact CB-O 3.4Å; K487-L536 HydrophobicContact CG-CB 4.39Å; K487-L536 PolarHBondContact N-O 2.66Å; G488-L536 PolarHBondContact O-N 3.38Å; V490-L536 HydrophobicContact CG2-CD1 3.85Å; V490-L536 HydrophobicContact CG2-CD2 4.3Å; V490-L536 HydrophobicContact CG2-CG 3.78Å; L508-L536 HydrophobicContact CD2-CD2 3.96Å; L536-F540 HydrophobicContact CD1-CD2 4.2Å; L536-F540 HydrophobicContact CD1-CE1 4.11Å; L536-F540 HydrophobicContact CD1-CE2 3.75Å; L536-F540 HydrophobicContact CD1-CZ 3.7Å; L536-F540 HydrophobicContact CD2-CD1 4.27Å; L536-F540 HydrophobicContact CD2-CE1 4.48Å; L536-F540 HydrophobicContact CD2-CG 4.39Å; L536-K541 WeakPolarHBondContact CA-O 3.46Å; L536-I542 HydrophobicContact CD2-CD1 3.94Å; L536-I542 HydrophobicContact CD2-CG1 4.45Å
537	D	95	Very high	95.1	Very high	22 Å²	22	28.6 Å²	28.6	12%	0.118	15%	0.149	C	C	.	.			trans	-84.5	-178.5	175.6	72.7	13.2	0	0	0	113.4	K487 D539 F540 K541 K543	K487-D537 WeakPolarHBondContact CG-O 3.49Å; D537-D539 PolarHBondContact O-N 2.92Å; D537-D539 VanDerWaalsContact O-N 3.14Å; D537-D539 PolarHBondContact OD1-N 3.46Å; D537-D539 VanDerWaalsContact OD1-N 3.14Å; D537-F540 PolarHBondContact O-N 2.96Å; D537-F540 PolarHBondContact OD1-N 2.97Å; D537-K541 PolarHBondContact N-O 3.35Å; D537-K541 WeakPolarHBondContact OD1-CB 3.37Å; D537-K541 PolarHBondContact OD1-N 3.47Å; D537-K543 HydrophobicContact CB-CG 4.36Å; D537-K543 WeakPolarHBondContact OD2-CE 2.87Å; D537-K543 IonicContact OD2-NZ 2.85Å; D537-K543 PolarHBondContact OD2-NZ 2.99Å
538	A	90.8	Very high	94.7	Very high	51 Å²	51	28.4 Å²	28.4	42%	0.421	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-33	-175	0	0	0	0	0	113.4	S486 K487 F540	S486-A538 WeakPolarHBondContact OG-CA 3.45Å; S486-A538 PolarHBondContact OG-N 2.98Å; K487-A538 WeakPolarHBondContact CE-O 3.16Å; K487-A538 PolarHBondContact NZ-O 3.03Å; A538-F540 VanDerWaalsContact C-N 3.31Å
539	D	91.8	Very high	94.4	Very high	130 Å²	130	30.8 Å²	30.8	70%	0.695	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	13.3	-177.5	-57.7	-41.8	0	0	0	112.5	D537 K541	D537-D539 PolarHBondContact O-N 2.92Å; D537-D539 VanDerWaalsContact O-N 3.14Å; D537-D539 PolarHBondContact OD1-N 3.46Å; D537-D539 VanDerWaalsContact OD1-N 3.14Å; D539-K541 VanDerWaalsContact C-N 3.26Å; D539-K541 HydrophobicContact CB-CG 4.25Å; D539-K541 PolarHBondContact O-N 3.35Å
540	F	93.3	Very high	94.2	Very high	74 Å²	74	30.9 Å²	30.9	33%	0.325	17%	0.165	S	C	.	.	S	Bend	trans	59.8	33.6	-178	-147.6	-98.4	0	0	0	113	H493 F500 L508 L536 D537 A538	H493-F540 AromaticContact CE1-CE2 3.89Å; H493-F540 AromaticContact ND1-CE2 3.78Å; F500-F540 AromaticContact CE1-CE1 3.81Å; F500-F540 HydrophobicContact CE1-CE1 3.81Å; F500-F540 AromaticContact CE1-CZ 3.78Å; F500-F540 HydrophobicContact CE1-CZ 3.78Å; F500-F540 HydrophobicContact CZ-CE1 4.2Å; F500-F540 AromaticContact CZ-CZ 4Å; F500-F540 HydrophobicContact CZ-CZ 4Å; L508-F540 HydrophobicContact CD1-CE1 4.31Å; L508-F540 HydrophobicContact CD2-CD1 4.26Å; L508-F540 HydrophobicContact CD2-CE1 4.39Å; L536-F540 HydrophobicContact CD1-CD2 4.2Å; L536-F540 HydrophobicContact CD1-CE1 4.11Å; L536-F540 HydrophobicContact CD1-CE2 3.75Å; L536-F540 HydrophobicContact CD1-CZ 3.7Å; L536-F540 HydrophobicContact CD2-CD1 4.27Å; L536-F540 HydrophobicContact CD2-CE1 4.48Å; L536-F540 HydrophobicContact CD2-CG 4.39Å; D537-F540 PolarHBondContact O-N 2.96Å; D537-F540 PolarHBondContact OD1-N 2.97Å; A538-F540 VanDerWaalsContact C-N 3.31Å
541	K	96.2	Very high	94.1	Very high	82 Å²	82	30.7 Å²	30.7	36%	0.357	17%	0.166	S	C	.	.			trans	-97	144.1	173.8	-56.4	-58.9	-177.7	178.2	0	111.3	Q511 L536 D537 D539	Q511-K541 VanDerWaalsContact OE1-CA 3.3Å; L536-K541 WeakPolarHBondContact CA-O 3.46Å; D537-K541 PolarHBondContact N-O 3.35Å; D537-K541 WeakPolarHBondContact OD1-CB 3.37Å; D537-K541 PolarHBondContact OD1-N 3.47Å; D539-K541 VanDerWaalsContact C-N 3.26Å; D539-K541 HydrophobicContact CB-CG 4.25Å; D539-K541 PolarHBondContact O-N 3.35Å
542	I	98	Very high	94	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	142	-179.2	-69.2	-71.2	0	0	0	110.7	H464 V490 L508 Q511 I512 L534 L535 L536 V544	H464-I542 WeakPolarHBondContact CA-O 3.26Å; H464-I542 WeakPolarHBondContact CB-O 3.39Å; H464-I542 PolarHBondContact ND1-O 3.45Å; H464-I542 VanDerWaalsContact ND1-O 3.07Å; V490-I542 HydrophobicContact CG2-CD1 3.74Å; L508-I542 HydrophobicContact CB-CD1 4.27Å; L508-I542 HydrophobicContact CB-CG1 4.16Å; L508-I542 HydrophobicContact CD2-CD1 4.02Å; L508-I542 HydrophobicContact CD2-CG1 3.86Å; Q511-I542 HydrophobicContact CB-CB 3.98Å; Q511-I542 HydrophobicContact CB-CG1 4.17Å; I512-I542 HydrophobicContact CD1-CD1 4.24Å; I512-I542 HydrophobicContact CG1-CB 4.43Å; I512-I542 HydrophobicContact CG1-CD1 4.12Å; I512-I542 HydrophobicContact CG1-CG1 3.99Å; I512-I542 HydrophobicContact CG1-CG2 3.76Å; L534-I542 HydrophobicContact CD2-CG2 4.3Å; L535-I542 CarbonylContact O-C 3.58Å; L535-I542 WeakPolarHBondContact O-CA 3.16Å; L536-I542 HydrophobicContact CD2-CD1 3.94Å; L536-I542 HydrophobicContact CD2-CG1 4.45Å; I542-V544 HydrophobicContact CG2-CG2 4.35Å
543	K	98	Very high	94	Very high	9 Å²	9	31.4 Å²	31.4	4%	0.039	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	109.6	164.4	-50.8	-71.1	171.4	170.8	0	109.6	P463 I466 E483 A485 L535 D537	P463-K543 WeakPolarHBondContact O-CD 3.31Å; P463-K543 PolarHBondContact O-NZ 3.44Å; I466-K543 HydrophobicContact CD1-CB 3.47Å; I466-K543 VanDerWaalsContact CD1-CB 3.47Å; I466-K543 HydrophobicContact CD1-CG 3.94Å; I466-K543 HydrophobicContact CG1-CB 3.76Å; E483-K543 VanDerWaalsContact OE1-CE 3.29Å; E483-K543 WeakPolarHBondContact OE1-CE 3.32Å; E483-K543 IonicContact OE1-NZ 2.81Å; E483-K543 PolarHBondContact OE1-NZ 3.25Å; A485-K543 HydrophobicContact CB-CG 4.31Å; L535-K543 HydrophobicContact CB-CB 4.34Å; L535-K543 PolarHBondContact N-O 3.14Å; L535-K543 PolarHBondContact O-N 2.9Å; D537-K543 HydrophobicContact CB-CG 4.36Å; D537-K543 WeakPolarHBondContact OD2-CE 2.87Å; D537-K543 IonicContact OD2-NZ 2.85Å; D537-K543 PolarHBondContact OD2-NZ 2.99Å
544	V	98.3	Very high	93.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	134.6	171.5	-177.6	0	0	0	0	109.7	H464 I465 I466 A515 I516 H526 L529 L534 I542 F547	H464-V544 PolarHBondContact O-N 2.95Å; I465-V544 HydrophobicContact CG1-CB 4.33Å; I466-V544 PolarHBondContact N-O 3.3Å; A515-V544 HydrophobicContact CB-CG2 3.75Å; I516-V544 HydrophobicContact CD1-CG1 4.17Å; I516-V544 HydrophobicContact CD1-CG2 4.13Å; H526-V544 WeakPolarHBondContact NE2-CG1 3.23Å; L529-V544 HydrophobicContact CD2-CG1 4.28Å; L534-V544 HydrophobicContact CD2-CG2 3.85Å; I542-V544 HydrophobicContact CG2-CG2 4.35Å; V544-F547 HydrophobicContact CG1-CZ 4.48Å
545	A	95.8	Very high	92.1	Very high	13 Å²	13	40.6 Å²	40.6	11%	0.107	21%	0.213	C	C	.	.			trans	-132.6	175.5	-173.3	0	0	0	0	0	113.2	I466 H526 N533 L535	I466-A545 HydrophobicContact CG1-CB 3.93Å; H526-A545 PolarHBondContact CE1-O 3.37Å; H526-A545 VanDerWaalsContact CE1-O 3.28Å; H526-A545 PolarHBondContact NE2-O 2.63Å; N533-A545 PolarHBondContact O-N 3.43Å; L535-A545 HydrophobicContact CD1-CB 3.86Å; L535-A545 HydrophobicContact CG-CB 3.95Å
546	D	91.6	Very high	91.1	Very high	58 Å²	58	41.6 Å²	41.6	31%	0.31	22%	0.219	S	C	.	.			trans	47.8	74.1	177.6	-154	30.6	0	0	0	117.1	K435 H526 G548	K435-D546 IonicContact NZ-OD1 3.48Å; K435-D546 PolarHBondContact NZ-OD1 2.97Å; H526-D546 PolarHBondContact CE1-O 2.84Å; D546-G548 PolarHBondContact O-N 3.46Å
547	F	92.5	Very high	90.5	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-72.5	16.3	174.5	-72.4	-100.3	0	0	0	113.8	E453 A456 M457 C460 I465 I524 V544 F549 C550	E453-F547 HydrophobicContact CG-CB 3.9Å; A456-F547 HydrophobicContact CB-CD1 4.27Å; M457-F547 HydrophobicContact CG-CB 4.31Å; M457-F547 HydrophobicContact CG-CD2 3.93Å; M457-F547 HydrophobicContact CG-CG 4.24Å; C460-F547 HydrophobicContact CB-CZ 4.41Å; I465-F547 HydrophobicContact CD1-CZ 4.48Å; I465-F547 HydrophobicContact CG2-CE2 3.63Å; I465-F547 HydrophobicContact CG2-CZ 3.72Å; I524-F547 HydrophobicContact CG2-CD1 4.47Å; I524-F547 HydrophobicContact CG2-CE1 4.48Å; V544-F547 HydrophobicContact CG1-CZ 4.48Å; F547-F549 PolarHBondContact O-N 2.91Å; F547-F549 VanDerWaalsContact O-N 3.09Å; F547-C550 HydrophobicContact CB-CB 4.15Å; F547-C550 HydrophobicContact CD1-CB 4.06Å; F547-C550 VanDerWaalsContact O-CB 3.31Å; F547-C550 WeakPolarHBondContact O-CB 3.28Å; F547-C550 PolarHBondContact O-N 3.01Å; F547-C550 PolarHBondContact O-SG 2.89Å
548	G	87.8	Confident	90.3	Very high	17 Å²	17	47.8 Å²	47.8	18%	0.175	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-63	-17.8	-173.8	0	0	0	0	0	115.6	D546	D546-G548 PolarHBondContact O-N 3.46Å
549	F	88.5	Confident	90.2	Very high	51 Å²	51	46 Å²	46	22%	0.224	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-108.2	0.9	174.8	-63.7	-71.2	0	0	0	114.2	L172 H526 R527 D528 F547 C563	L172-F549 HydrophobicContact CD1-CD1 4.13Å; L172-F549 HydrophobicContact CD1-CE1 3.77Å; L172-F549 HydrophobicContact CD1-CZ 4.02Å; L172-F549 HydrophobicContact CD2-CE1 4.22Å; L172-F549 HydrophobicContact CD2-CE2 4.48Å; L172-F549 HydrophobicContact CD2-CZ 3.8Å; L172-F549 HydrophobicContact CG-CE1 4.34Å; L172-F549 HydrophobicContact CG-CZ 4.41Å; H526-F549 CarbonylContact O-C 3.52Å; R527-F549 PolarHBondContact NE-O 3.03Å; R527-F549 VanDerWaalsContact NE-O 3.11Å; R527-F549 PolarHBondContact NH2-O 3.3Å; D528-F549 HydrophobicContact CB-CB 4.08Å; D528-F549 HydrophobicContact CB-CD2 3.72Å; D528-F549 HydrophobicContact CB-CG 4.24Å; F547-F549 PolarHBondContact O-N 2.91Å; F547-F549 VanDerWaalsContact O-N 3.09Å; F549-C563 HydrophobicContact CD1-CB 4.27Å
550	C	93.2	Very high	90	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.027	21%	0.208	C	C	.	.			trans	-60.5	157.8	-174.8	82.9	0	0	0	0	111.8	R452 A456 I524 V525 H526 F547	R452-C550 WeakPolarHBondContact CD-O 3.38Å; R452-C550 PolarHBondContact NH1-O 3.41Å; A456-C550 WeakPolarHBondContact CB-SG 3.22Å; I524-C550 HydrophobicContact CG2-CB 4.3Å; V525-C550 CarbonylContact O-C 3.49Å; V525-C550 WeakPolarHBondContact O-CA 3.34Å; V525-C550 WeakPolarHBondContact O-CB 3.24Å; H526-C550 WeakPolarHBondContact O-CA 3.16Å; H526-C550 PolarHBondContact O-N 2.8Å; F547-C550 HydrophobicContact CB-CB 4.15Å; F547-C550 HydrophobicContact CD1-CB 4.06Å; F547-C550 VanDerWaalsContact O-CB 3.31Å; F547-C550 WeakPolarHBondContact O-CB 3.28Å; F547-C550 PolarHBondContact O-N 3.01Å; F547-C550 PolarHBondContact O-SG 2.89Å
551	N	92.7	Very high	89.6	Confident	25 Å²	25	40.1 Å²	40.1	13%	0.134	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	152.2	166.2	-154.7	27.2	0	0	0	111.5	R452 I524 V525 L559	R452-N551 WeakPolarHBondContact CD-OD1 3.31Å; R452-N551 PolarHBondContact NE-OD1 3.17Å; R452-N551 PolarHBondContact NH1-OD1 2.94Å; I524-N551 WeakPolarHBondContact CA-O 3.48Å; V525-N551 HydrophobicContact CG2-CB 4.26Å; V525-N551 PolarHBondContact N-O 3.14Å; V525-N551 PolarHBondContact O-N 3.15Å; N551-L559 HydrophobicContact CB-CD1 4.22Å; N551-L559 VanDerWaalsContact ND2-CD2 3.32Å; N551-L559 WeakPolarHBondContact ND2-CD2 3.37Å
552	F	91.9	Very high	88.8	Confident	49 Å²	49	38.6 Å²	38.6	22%	0.215	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	141.7	158.4	-61.8	-61.5	0	0	0	108.4	R452 E455 A456 G523 I524	R452-F552 HydrophobicContact CG-CD2 3.86Å; R452-F552 HydrophobicContact CG-CE2 3.62Å; R452-F552 HydrophobicContact CG-CZ 4.43Å; E455-F552 HydrophobicContact CB-CE2 4.24Å; E455-F552 HydrophobicContact CB-CZ 3.92Å; E455-F552 HydrophobicContact CG-CE2 4.24Å; E455-F552 HydrophobicContact CG-CZ 3.78Å; E455-F552 WeakPolarHBondContact OE2-CE2 3.27Å; A456-F552 HydrophobicContact CB-CZ 4.45Å; G523-F552 VanDerWaalsContact O-CA 3.27Å; G523-F552 WeakPolarHBondContact O-CA 3.47Å; I524-F552 HydrophobicContact CD1-CD1 4.49Å; I524-F552 HydrophobicContact CD1-CE1 3.91Å; I524-F552 HydrophobicContact CG1-CD1 3.63Å; I524-F552 HydrophobicContact CG1-CE1 3.51Å
553	F	90.7	Very high	88.2	Confident	22 Å²	22	39.2 Å²	39.2	10%	0.096	21%	0.205	C	C	.	.			trans	-128.4	157.6	168.7	74.9	-74.6	0	0	0	108.6	H520 G523 V525 T582	H520-F553 WeakPolarHBondContact O-CZ 3.12Å; G523-F553 WeakPolarHBondContact O-CD1 3.35Å; G523-F553 PolarHBondContact O-N 3.35Å; V525-F553 HydrophobicContact CB-CD1 4.44Å; V525-F553 HydrophobicContact CG1-CD1 3.67Å; V525-F553 HydrophobicContact CG1-CE1 3.71Å; V525-F553 HydrophobicContact CG1-CG 4.38Å; V525-F553 HydrophobicContact CG1-CZ 4.46Å; V525-F553 HydrophobicContact CG2-CD1 4.27Å; F553-T582 HydrophobicContact CE1-CG2 4.11Å; F553-T582 HydrophobicContact CE2-CG2 3.78Å; F553-T582 HydrophobicContact CZ-CG2 3.5Å; F553-T582 VanDerWaalsContact CZ-CG2 3.5Å
554	Q	82	Confident	87.5	Confident	118 Å²	118	39.1 Å²	39.1	55%	0.551	21%	0.207	S	C	*	.			trans	-106	149.9	161.9	-65.5	-178.4	-17.3	0	0	107.2	D556 Q557	Q554-D556 PolarHBondContact O-N 2.99Å; Q554-Q557 HydrophobicContact CB-CB 4.4Å; Q554-Q557 HydrophobicContact CB-CG 4.1Å; Q554-Q557 PolarHBondContact O-N 2.89Å; Q554-Q557 VanDerWaalsContact O-N 3.08Å
555	N	73.2	Confident	87.1	Confident	90 Å²	90	40.1 Å²	40.1	48%	0.481	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	139.3	159.9	-60.7	74.2	0	0	0	108.3	E1928	N555-E1928 VanDerWaalsContact CA-CD 3.42Å; N555-E1928 VanDerWaalsContact CA-OE2 3.25Å; N555-E1928 WeakPolarHBondContact CA-OE2 3.46Å; N555-E1928 HydrophobicContact CB-CG 4.22Å; N555-E1928 WeakPolarHBondContact CB-OE1 3.09Å; N555-E1928 PolarHBondContact ND2-OE1 3.3Å
556	D	76	Confident	86.9	Confident	58 Å²	58	40.2 Å²	40.2	31%	0.31	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	15.9	-172.1	-56.1	-47.1	0	0	0	115.3	Q554 E1928 F1929	Q554-D556 PolarHBondContact O-N 2.99Å; D556-E1928 PolarHBondContact N-OE2 3.23Å; D556-E1928 WeakPolarHBondContact OD1-CG 3.41Å; D556-F1929 VanDerWaalsContact CA-CE2 3.45Å; D556-F1929 HydrophobicContact CB-CD2 4.16Å; D556-F1929 HydrophobicContact CB-CE2 3.36Å; D556-F1929 HydrophobicContact CB-CZ 3.76Å; D556-F1929 WeakPolarHBondContact O-CZ 3.35Å; D556-F1929 WeakPolarHBondContact OD1-CD2 3.43Å; D556-F1929 WeakPolarHBondContact OD1-CE2 3.12Å
557	Q	83.8	Confident	87	Confident	102 Å²	102	39 Å²	39	48%	0.477	21%	0.206	S	C	.	.			trans	-124.9	109.7	175.6	-69.3	-172.1	-2.8	0	0	115	Q554	Q554-Q557 HydrophobicContact CB-CB 4.4Å; Q554-Q557 HydrophobicContact CB-CG 4.1Å; Q554-Q557 PolarHBondContact O-N 2.89Å; Q554-Q557 VanDerWaalsContact O-N 3.08Å
558	L	89.7	Confident	87.2	Confident	49 Å²	49	39.2 Å²	39.2	26%	0.257	21%	0.207	S	C	.	.			trans	-74.2	147.8	169.7	-55.8	179.9	0	0	0	112	P578 Y579 D580 L1778 F1929	L558-P578 HydrophobicContact CB-CB 4Å; L558-P578 HydrophobicContact CD1-CB 4.14Å; L558-Y579 WeakPolarHBondContact CA-O 3.41Å; L558-D580 HydrophobicContact CD2-CB 4.22Å; L558-L1778 HydrophobicContact CD1-CD2 3.58Å; L558-F1929 HydrophobicContact CD2-CD1 4.15Å; L558-F1929 HydrophobicContact CG-CD1 4.22Å; L558-F1929 HydrophobicContact CG-CE1 4.14Å
559	L	90.3	Very high	87.6	Confident	15 Å²	15	38.8 Å²	38.8	8%	0.079	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-98.7	139.1	178.2	-60.5	-177.6	0	0	0	111.2	V525 N551 P578 Y579	V525-L559 HydrophobicContact CG2-CD1 3.72Å; N551-L559 HydrophobicContact CB-CD1 4.22Å; N551-L559 VanDerWaalsContact ND2-CD2 3.32Å; N551-L559 WeakPolarHBondContact ND2-CD2 3.37Å; L559-P578 CarbonylContact O-C 3.32Å; L559-P578 WeakPolarHBondContact O-CA 3.49Å; L559-Y579 HydrophobicContact CB-CD1 4.39Å; L559-Y579 HydrophobicContact CB-CE1 3.88Å; L559-Y579 HydrophobicContact CB-CE2 4.09Å; L559-Y579 HydrophobicContact CD1-CE2 4.31Å; L559-Y579 PolarHBondContact N-O 2.83Å; L559-Y579 WeakPolarHBondContact O-CD1 3.49Å; L559-Y579 WeakPolarHBondContact O-CE1 3.47Å; L559-Y579 PolarHBondContact O-N 3.41Å
560	S	86.3	Confident	88	Confident	28 Å²	28	36.4 Å²	36.4	20%	0.196	19%	0.191	C	C	.	.			trans	-96.4	-16.7	172.6	70.1	0	0	0	0	114.1	H562 S1780 E1782	S560-H562 PolarHBondContact O-CE1 2.92Å; S560-H562 PolarHBondContact O-N 3.03Å; S560-H562 PolarHBondContact O-ND1 3.45Å; S560-S1780 WeakPolarHBondContact CB-OG 3.47Å; S560-E1782 VanDerWaalsContact CB-OE1 3.3Å; S560-E1782 WeakPolarHBondContact CB-OE1 2.94Å; S560-E1782 PolarHBondContact OG-OE1 2.83Å
561	T	84.4	Confident	88.1	Confident	51 Å²	51	36.2 Å²	36.2	31%	0.313	19%	0.19	S	C	.	.			trans	-84.2	94.2	-164.7	43.5	0	0	0	0	112.9	R527 C563 Y579	R527-T561 PolarHBondContact NH1-O 3.13Å; R527-T561 VanDerWaalsContact NH1-O 3.16Å; R527-T561 PolarHBondContact NH1-OG1 2.95Å; T561-C563 PolarHBondContact O-N 3.06Å; T561-C563 PolarHBondContact O-SG 3.48Å; T561-C563 VanDerWaalsContact O-SG 3.33Å; T561-Y579 PolarHBondContact O-OH 2.82Å; T561-Y579 VanDerWaalsContact O-OH 3.06Å
562	H	79.4	Confident	88.2	Confident	50 Å²	50	35.3 Å²	35.3	23%	0.231	19%	0.185	C	C	.	.			trans	-52.4	112.8	173.6	-60.3	91.7	0	0	0	112.3	V170 S560 L573 G576	V170-H562 WeakPolarHBondContact CB-O 3.42Å; V170-H562 WeakPolarHBondContact CG1-O 3.17Å; S560-H562 PolarHBondContact O-CE1 2.92Å; S560-H562 PolarHBondContact O-N 3.03Å; S560-H562 PolarHBondContact O-ND1 3.45Å; H562-L573 PolarHBondContact CD2-O 2.69Å; H562-G576 VanDerWaalsContact NE2-CA 3.26Å; H562-G576 WeakPolarHBondContact NE2-CA 3.43Å
563	C	85.4	Confident	88.3	Confident	13 Å²	13	34.2 Å²	34.2	9%	0.088	18%	0.181	C	C	.	.			trans	-158.7	-177.9	175.9	60.3	0	0	0	0	111	V170 L172 R527 F549 T561	V170-C563 HydrophobicContact CG1-CB 4.22Å; L172-C563 HydrophobicContact CD1-CB 3.96Å; R527-C563 PolarHBondContact NH2-SG 3.25Å; R527-C563 VanDerWaalsContact NH2-SG 3.35Å; F549-C563 HydrophobicContact CD1-CB 4.27Å; T561-C563 PolarHBondContact O-N 3.06Å; T561-C563 PolarHBondContact O-SG 3.48Å; T561-C563 VanDerWaalsContact O-SG 3.33Å
564	G	83.8	Confident	88.4	Confident	7 Å²	7	34.2 Å²	34.2	7%	0.072	18%	0.181	C	C	.	.	S	Bend	trans	94.1	158.6	-169.6	0	0	0	0	0	112.8	R527 P566	R527-G564 WeakPolarHBondContact O-CA 3.3Å; R527-G564 PolarHBondContact O-N 3.32Å; G564-P566 VanDerWaalsContact O-CD 3.27Å; G564-P566 WeakPolarHBondContact O-CD 3.19Å
565	S	90	Very high	88.9	Confident	21 Å²	21	33.2 Å²	33.2	15%	0.147	18%	0.175	C	C	.	.			trans	-75.5	112.9	-179.1	-59.8	0	0	0	0	110.5	D528 K530 Q567 Y568 A569	D528-S565 WeakPolarHBondContact OD1-CB 3.36Å; D528-S565 PolarHBondContact OD1-N 3.45Å; D528-S565 PolarHBondContact OD1-OG 2.76Å; K530-S565 WeakPolarHBondContact CD-OG 3.44Å; K530-S565 PolarHBondContact NZ-OG 3.12Å; K530-S565 VanDerWaalsContact NZ-OG 3.16Å; S565-Q567 VanDerWaalsContact C-N 3.27Å; S565-Q567 PolarHBondContact O-N 2.72Å; S565-Y568 PolarHBondContact O-N 3.14Å; S565-A569 PolarHBondContact O-N 3.2Å
566	P	91.9	Very high	89.6	Confident	15 Å²	15	30.6 Å²	30.6	10%	0.097	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-9.1	-161.1	-28.8	36.8	0	0	0	119.3	L172 P174 G564 A569 F574 L608	L172-P566 WeakPolarHBondContact O-CG 3.31Å; P174-P566 HydrophobicContact CG-CB 4.1Å; P174-P566 HydrophobicContact CG-CG 4.18Å; G564-P566 VanDerWaalsContact O-CD 3.27Å; G564-P566 WeakPolarHBondContact O-CD 3.19Å; P566-A569 HydrophobicContact CB-CB 4.5Å; P566-F574 HydrophobicContact CB-CE1 4.21Å; P566-F574 HydrophobicContact CB-CZ 3.73Å; P566-F574 WeakPolarHBondContact O-CE2 3.46Å; P566-F574 VanDerWaalsContact O-CZ 3.22Å; P566-F574 WeakPolarHBondContact O-CZ 3.47Å; P566-L608 HydrophobicContact CB-CD1 3.8Å; P566-L608 HydrophobicContact CG-CD1 4.3Å
567	Q	93.8	Very high	90.2	Very high	33 Å²	33	31.7 Å²	31.7	15%	0.154	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.7	168.1	-72.7	179.7	-15.3	0	0	113	S565 F601 I611	S565-Q567 VanDerWaalsContact C-N 3.27Å; S565-Q567 PolarHBondContact O-N 2.72Å; Q567-F601 HydrophobicContact CB-CD1 3.92Å; Q567-F601 HydrophobicContact CB-CE1 3.78Å; Q567-F601 VanDerWaalsContact OE1-CZ 3.28Å; Q567-I611 HydrophobicContact CG-CD1 3.89Å
568	Y	96.6	Very high	90.6	Very high	6 Å²	6	28.2 Å²	28.2	2%	0.024	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-9.4	175.4	-57.6	-93	0	0	0	112.6	K530 A531 E532 S565 W587 S588 V591 I592 I595 F601	K530-Y568 HydrophobicContact CB-CD1 4.11Å; K530-Y568 HydrophobicContact CB-CD2 3.63Å; K530-Y568 HydrophobicContact CB-CE1 3.85Å; K530-Y568 HydrophobicContact CB-CE2 3.33Å; K530-Y568 HydrophobicContact CB-CG 4Å; K530-Y568 VanDerWaalsContact CB-CZ 3.42Å; A531-Y568 PolarHBondContact N-OH 2.66Å; A531-Y568 VanDerWaalsContact N-OH 3.11Å; E532-Y568 PolarHBondContact OE2-OH 3.03Å; S565-Y568 PolarHBondContact O-N 3.14Å; Y568-W587 VanDerWaalsContact O-CD1 3.25Å; Y568-S588 PolarHBondContact O-OG 2.73Å; Y568-V591 HydrophobicContact CD1-CB 3.98Å; Y568-V591 HydrophobicContact CD1-CG1 3.46Å; Y568-V591 VanDerWaalsContact CD1-CG1 3.46Å; Y568-V591 HydrophobicContact CE1-CG1 3.88Å; Y568-V591 HydrophobicContact CG-CG1 4.18Å; Y568-I592 HydrophobicContact CD1-CG1 4.14Å; Y568-I592 HydrophobicContact CE1-CG1 3.95Å; Y568-I595 HydrophobicContact CD1-CD1 4.46Å; Y568-I595 HydrophobicContact CE1-CD1 3.56Å; Y568-F601 HydrophobicContact CE1-CE1 4.27Å; Y568-F601 AromaticContact CE2-CE1 3.91Å; Y568-F601 HydrophobicContact CE2-CE1 3.91Å; Y568-F601 HydrophobicContact CE2-CZ 4.37Å; Y568-F601 AromaticContact CZ-CE1 3.78Å
569	A	95.7	Very high	90.8	Very high	8 Å²	8	26.2 Å²	26.2	7%	0.066	15%	0.148	C	C	.	.			trans	-70.3	141	-176.3	0	0	0	0	0	112.5	S565 P566 L573 F574 W587	S565-A569 PolarHBondContact O-N 3.2Å; P566-A569 HydrophobicContact CB-CB 4.5Å; A569-L573 HydrophobicContact CB-CB 4.34Å; A569-L573 HydrophobicContact CB-CD1 3.97Å; A569-F574 HydrophobicContact CB-CD2 4.38Å; A569-F574 HydrophobicContact CB-CE2 3.92Å; A569-W587 PolarHBondContact O-NE1 3.25Å
570	A	96.6	Very high	91	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.			trans	-72.1	155.7	178.6	0	0	0	0	0	113	E572 L573 F574 A584 W587	A570-E572 VanDerWaalsContact C-N 3.29Å; A570-E572 HydrophobicContact CB-CG 4.3Å; A570-E572 WeakPolarHBondContact CB-OE1 3.08Å; A570-E572 WeakPolarHBondContact CB-OE2 3.27Å; A570-E572 PolarHBondContact O-N 3.02Å; A570-L573 HydrophobicContact CB-CD1 4.47Å; A570-L573 WeakPolarHBondContact O-CB 3.46Å; A570-L573 PolarHBondContact O-N 2.79Å; A570-L573 VanDerWaalsContact O-N 3.09Å; A570-F574 PolarHBondContact O-N 3.43Å; A570-A584 HydrophobicContact CB-CB 4.31Å; A570-W587 VanDerWaalsContact CA-CD1 3.42Å; A570-W587 HydrophobicContact CB-CB 3.79Å; A570-W587 HydrophobicContact CB-CD2 4.28Å; A570-W587 HydrophobicContact CB-CG 3.7Å
571	P	96.2	Very high	91.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-55.2	-38.8	-177.6	-29.3	38.1	0	0	0	114.3	L573 F574 K575 W587 V615 L616 V640	P571-L573 VanDerWaalsContact C-N 3.34Å; P571-L573 PolarHBondContact O-N 2.94Å; P571-F574 CarbonylContact O-C 3.46Å; P571-F574 WeakPolarHBondContact O-CA 3.4Å; P571-F574 WeakPolarHBondContact O-CB 3.48Å; P571-F574 PolarHBondContact O-N 3.18Å; P571-K575 WeakPolarHBondContact O-CG 3.3Å; P571-K575 PolarHBondContact O-N 3.01Å; P571-W587 HydrophobicContact CG-CD2 4.5Å; P571-W587 HydrophobicContact CG-CE3 4.15Å; P571-W587 HydrophobicContact CG-CH2 3.51Å; P571-W587 HydrophobicContact CG-CZ2 3.89Å; P571-W587 HydrophobicContact CG-CZ3 3.65Å; P571-V615 HydrophobicContact CB-CG1 4.22Å; P571-V615 HydrophobicContact CG-CG1 3.78Å; P571-L616 HydrophobicContact CB-CD2 4.16Å; P571-V640 HydrophobicContact CB-CG1 3.98Å; P571-V640 HydrophobicContact CG-CB 4.35Å; P571-V640 HydrophobicContact CG-CG1 4.01Å; P571-V640 HydrophobicContact CG-CG2 4.35Å
572	E	95.8	Very high	91.9	Very high	6 Å²	6	24.4 Å²	24.4	3%	0.028	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-60.1	-39.2	177.2	57.9	-84.1	-162.1	0	0	112.9	A570 F574 K575 G576 E577 Y579 P642 R645	A570-E572 VanDerWaalsContact C-N 3.29Å; A570-E572 HydrophobicContact CB-CG 4.3Å; A570-E572 WeakPolarHBondContact CB-OE1 3.08Å; A570-E572 WeakPolarHBondContact CB-OE2 3.27Å; A570-E572 PolarHBondContact O-N 3.02Å; E572-F574 PolarHBondContact O-N 2.89Å; E572-K575 PolarHBondContact O-N 2.85Å; E572-G576 PolarHBondContact O-N 2.79Å; E572-E577 HydrophobicContact CB-CB 4.38Å; E572-E577 PolarHBondContact O-N 2.86Å; E572-Y579 HydrophobicContact CG-CG 4.49Å; E572-P642 HydrophobicContact CG-CG 4.49Å; E572-R645 IonicContact OE1-CZ 2.69Å; E572-R645 IonicContact OE1-NH1 3.28Å; E572-R645 PolarHBondContact OE1-NH1 3.01Å; E572-R645 IonicContact OE1-NH2 3.31Å; E572-R645 PolarHBondContact OE1-NH2 3.15Å; E572-R645 IonicContact OE2-CZ 3.79Å; E572-R645 IonicContact OE2-NH1 2.63Å; E572-R645 IonicContact OE2-NH2 2.78Å; E572-R645 PolarHBondContact OE2-NH2 3.32Å
573	L	94.1	Very high	92.8	Very high	26 Å²	26	22.7 Å²	22.7	14%	0.136	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-63.6	-27.5	173.2	-71.1	167.5	0	0	0	112.5	H562 A569 A570 P571 Y579	H562-L573 PolarHBondContact CD2-O 2.69Å; A569-L573 HydrophobicContact CB-CB 4.34Å; A569-L573 HydrophobicContact CB-CD1 3.97Å; A570-L573 HydrophobicContact CB-CD1 4.47Å; A570-L573 WeakPolarHBondContact O-CB 3.46Å; A570-L573 PolarHBondContact O-N 2.79Å; A570-L573 VanDerWaalsContact O-N 3.09Å; P571-L573 VanDerWaalsContact C-N 3.34Å; P571-L573 PolarHBondContact O-N 2.94Å; L573-Y579 HydrophobicContact CD2-CD1 3.75Å; L573-Y579 HydrophobicContact CD2-CD2 4.43Å; L573-Y579 HydrophobicContact CD2-CE1 3.37Å; L573-Y579 HydrophobicContact CD2-CE2 4.08Å; L573-Y579 HydrophobicContact CD2-CG 4.29Å
574	F	91.9	Very high	93.3	Very high	22 Å²	22	22.3 Å²	22.3	10%	0.096	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-83.1	-7.7	174.3	-82.1	-74.7	0	0	0	113.8	P566 A569 A570 P571 E572 L608 I611 R612 V615 L616	P566-F574 HydrophobicContact CB-CE1 4.21Å; P566-F574 HydrophobicContact CB-CZ 3.73Å; P566-F574 WeakPolarHBondContact O-CE2 3.46Å; P566-F574 VanDerWaalsContact O-CZ 3.22Å; P566-F574 WeakPolarHBondContact O-CZ 3.47Å; A569-F574 HydrophobicContact CB-CD2 4.38Å; A569-F574 HydrophobicContact CB-CE2 3.92Å; A570-F574 PolarHBondContact O-N 3.43Å; P571-F574 CarbonylContact O-C 3.46Å; P571-F574 WeakPolarHBondContact O-CA 3.4Å; P571-F574 WeakPolarHBondContact O-CB 3.48Å; P571-F574 PolarHBondContact O-N 3.18Å; E572-F574 PolarHBondContact O-N 2.89Å; F574-L608 HydrophobicContact CE1-CD1 4.03Å; F574-L608 HydrophobicContact CZ-CD1 4.5Å; F574-I611 HydrophobicContact CZ-CG2 4.13Å; F574-R612 HydrophobicContact CB-CG 4.09Å; F574-R612 HydrophobicContact CD1-CB 3.67Å; F574-R612 HydrophobicContact CD1-CG 3.55Å; F574-R612 HydrophobicContact CE1-CB 3.75Å; F574-R612 HydrophobicContact CE1-CG 4.18Å; F574-R612 HydrophobicContact CG-CB 4.41Å; F574-R612 HydrophobicContact CG-CG 4.04Å; F574-R612 PolarHBondContact O-NE 2.61Å; F574-R612 PolarHBondContact O-NH2 2.6Å; F574-V615 HydrophobicContact CD2-CB 4.22Å; F574-V615 HydrophobicContact CD2-CG1 3.64Å; F574-V615 HydrophobicContact CE2-CB 4.11Å; F574-V615 HydrophobicContact CE2-CG1 3.84Å; F574-V615 HydrophobicContact CE2-CG2 4.03Å; F574-L616 HydrophobicContact CB-CD2 4.28Å; F574-L616 HydrophobicContact CB-CG 4.5Å
575	K	91.4	Very high	94	Very high	97 Å²	97	22 Å²	22	42%	0.422	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-19.3	177.7	-63.5	174	-173.8	177.2	0	113.6	P571 E572 E577 L616	P571-K575 WeakPolarHBondContact O-CG 3.3Å; P571-K575 PolarHBondContact O-N 3.01Å; E572-K575 PolarHBondContact O-N 2.85Å; K575-E577 HydrophobicContact CB-CB 4.44Å; K575-E577 HydrophobicContact CB-CG 3.9Å; K575-E577 HydrophobicContact CD-CG 4.01Å; K575-E577 WeakPolarHBondContact CD-OE1 2.79Å; K575-E577 WeakPolarHBondContact CD-OE2 3.29Å; K575-E577 IonicContact NZ-OE1 3.64Å; K575-E577 PolarHBondContact NZ-OE1 2.87Å; K575-E577 IonicContact NZ-OE2 2.72Å; K575-E577 PolarHBondContact NZ-OE2 2.89Å; K575-L616 HydrophobicContact CG-CD2 3.84Å
576	G	88.4	Confident	94.4	Very high	35 Å²	35	21 Å²	21	36%	0.361	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	11.7	-168.6	0	0	0	0	0	113.7	H562 E572	H562-G576 VanDerWaalsContact NE2-CA 3.26Å; H562-G576 WeakPolarHBondContact NE2-CA 3.43Å; E572-G576 PolarHBondContact O-N 2.79Å
577	E	89.4	Confident	94.7	Very high	81 Å²	81	20.3 Å²	20.3	38%	0.379	11%	0.111	S	C	.	.			trans	-83.2	141	-173.7	-75.4	175.4	179.9	0	0	111.8	E572 K575 Y579	E572-E577 HydrophobicContact CB-CB 4.38Å; E572-E577 PolarHBondContact O-N 2.86Å; K575-E577 HydrophobicContact CB-CB 4.44Å; K575-E577 HydrophobicContact CB-CG 3.9Å; K575-E577 HydrophobicContact CD-CG 4.01Å; K575-E577 WeakPolarHBondContact CD-OE1 2.79Å; K575-E577 WeakPolarHBondContact CD-OE2 3.29Å; K575-E577 IonicContact NZ-OE1 3.64Å; K575-E577 PolarHBondContact NZ-OE1 2.87Å; K575-E577 IonicContact NZ-OE2 2.72Å; K575-E577 PolarHBondContact NZ-OE2 2.89Å; E577-Y579 PolarHBondContact O-N 3.03Å
578	P	92	Very high	94.9	Very high	30 Å²	30	19.1 Å²	19.1	20%	0.195	11%	0.107	C	C	.	.			trans	-60.9	132.8	168.3	-18.6	31.7	0	0	0	110.5	L558 L559 L1778	L558-P578 HydrophobicContact CB-CB 4Å; L558-P578 HydrophobicContact CD1-CB 4.14Å; L559-P578 CarbonylContact O-C 3.32Å; L559-P578 WeakPolarHBondContact O-CA 3.49Å; P578-L1778 HydrophobicContact CB-CD2 4.28Å; P578-L1778 HydrophobicContact CG-CD2 4.25Å
579	Y	93.9	Very high	95	Very high	6 Å²	6	18.9 Å²	18.9	2%	0.024	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-131	150.3	-166.6	64.8	-83.8	0	0	0	113.6	R527 L558 L559 T561 E572 L573 E577 G581 A584	R527-Y579 WeakPolarHBondContact CD-OH 3.23Å; R527-Y579 PolarHBondContact NH1-OH 2.83Å; L558-Y579 WeakPolarHBondContact CA-O 3.41Å; L559-Y579 HydrophobicContact CB-CD1 4.39Å; L559-Y579 HydrophobicContact CB-CE1 3.88Å; L559-Y579 HydrophobicContact CB-CE2 4.09Å; L559-Y579 HydrophobicContact CD1-CE2 4.31Å; L559-Y579 PolarHBondContact N-O 2.83Å; L559-Y579 WeakPolarHBondContact O-CD1 3.49Å; L559-Y579 WeakPolarHBondContact O-CE1 3.47Å; L559-Y579 PolarHBondContact O-N 3.41Å; T561-Y579 PolarHBondContact O-OH 2.82Å; T561-Y579 VanDerWaalsContact O-OH 3.06Å; E572-Y579 HydrophobicContact CG-CG 4.49Å; L573-Y579 HydrophobicContact CD2-CD1 3.75Å; L573-Y579 HydrophobicContact CD2-CD2 4.43Å; L573-Y579 HydrophobicContact CD2-CE1 3.37Å; L573-Y579 HydrophobicContact CD2-CE2 4.08Å; L573-Y579 HydrophobicContact CD2-CG 4.29Å; E577-Y579 PolarHBondContact O-N 3.03Å; Y579-G581 PolarHBondContact O-N 2.99Å; Y579-A584 HydrophobicContact CD2-CB 3.74Å; Y579-A584 HydrophobicContact CE2-CB 4.04Å
580	D	94.1	Very high	95.1	Very high	32 Å²	32	18.5 Å²	18.5	17%	0.171	10%	0.102	C	C	.	.			trans	-71.5	115.6	164.3	176.5	-13.1	0	0	0	108.2	L558 T582 L583 A584	L558-D580 HydrophobicContact CD2-CB 4.22Å; D580-T582 VanDerWaalsContact CG-OG1 3.3Å; D580-T582 PolarHBondContact O-N 2.88Å; D580-T582 WeakPolarHBondContact OD1-CA 3.07Å; D580-T582 WeakPolarHBondContact OD1-CB 3.37Å; D580-T582 PolarHBondContact OD1-N 3.48Å; D580-T582 PolarHBondContact OD1-OG1 2.82Å; D580-T582 PolarHBondContact OD2-OG1 3.28Å; D580-L583 HydrophobicContact CB-CB 4.22Å; D580-L583 HydrophobicContact CB-CD1 4.02Å; D580-L583 HydrophobicContact CB-CG 4.23Å; D580-L583 PolarHBondContact O-N 3.14Å; D580-L583 PolarHBondContact OD1-N 2.9Å; D580-L583 WeakPolarHBondContact OD2-CD1 3.3Å; D580-L583 WeakPolarHBondContact OD2-CG 3.37Å; D580-A584 PolarHBondContact O-N 2.77Å; D580-A584 VanDerWaalsContact O-N 3.11Å
581	G	94.2	Very high	95.2	Very high	2 Å²	2	18.5 Å²	18.5	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-64.2	-25.8	-179	0	0	0	0	0	113.7	Y579 D585	Y579-G581 PolarHBondContact O-N 2.99Å; G581-D585 PolarHBondContact O-N 3.06Å; G581-D585 VanDerWaalsContact O-N 3.08Å
582	T	96.3	Very high	95.3	Very high	23 Å²	23	18.6 Å²	18.6	14%	0.141	10%	0.103	C	C	.	.	H	α-helix	trans	-73	-44.7	178.5	73.5	0	0	0	0	110.8	H520 V525 F553 D580 A584 D585 V586	H520-T582 HydrophobicContact CB-CG2 4.21Å; H520-T582 VanDerWaalsContact CE1-CA 3.48Å; H520-T582 WeakPolarHBondContact CE1-CA 3.21Å; V525-T582 HydrophobicContact CG1-CG2 3.87Å; F553-T582 HydrophobicContact CE1-CG2 4.11Å; F553-T582 HydrophobicContact CE2-CG2 3.78Å; F553-T582 HydrophobicContact CZ-CG2 3.5Å; F553-T582 VanDerWaalsContact CZ-CG2 3.5Å; D580-T582 VanDerWaalsContact CG-OG1 3.3Å; D580-T582 PolarHBondContact O-N 2.88Å; D580-T582 WeakPolarHBondContact OD1-CA 3.07Å; D580-T582 WeakPolarHBondContact OD1-CB 3.37Å; D580-T582 PolarHBondContact OD1-N 3.48Å; D580-T582 PolarHBondContact OD1-OG1 2.82Å; D580-T582 PolarHBondContact OD2-OG1 3.28Å; T582-A584 VanDerWaalsContact C-N 3.34Å; T582-A584 PolarHBondContact O-N 3.38Å; T582-D585 WeakPolarHBondContact O-CB 3.2Å; T582-D585 PolarHBondContact O-N 3.19Å; T582-V586 WeakPolarHBondContact O-CG2 3.37Å; T582-V586 PolarHBondContact O-N 2.85Å
583	L	97	Very high	95.4	Very high	14 Å²	14	18.3 Å²	18.3	7%	0.073	10%	0.101	C	C	.	.	H	α-helix	trans	-68.7	-30.7	176.5	-66.1	174.3	0	0	0	112.5	D580 V586 W587 P642 R645 K647	D580-L583 HydrophobicContact CB-CB 4.22Å; D580-L583 HydrophobicContact CB-CD1 4.02Å; D580-L583 HydrophobicContact CB-CG 4.23Å; D580-L583 PolarHBondContact O-N 3.14Å; D580-L583 PolarHBondContact OD1-N 2.9Å; D580-L583 WeakPolarHBondContact OD2-CD1 3.3Å; D580-L583 WeakPolarHBondContact OD2-CG 3.37Å; L583-V586 PolarHBondContact O-N 2.92Å; L583-W587 PolarHBondContact O-N 2.84Å; L583-P642 HydrophobicContact CD1-CB 4.25Å; L583-R645 HydrophobicContact CD2-CB 4.45Å; L583-R645 WeakPolarHBondContact O-CD 3.46Å; L583-R645 PolarHBondContact O-NH1 3.33Å; L583-K647 HydrophobicContact CD2-CG 3.92Å
584	A	96.8	Very high	95.6	Very high	4 Å²	4	17.6 Å²	17.6	3%	0.033	10%	0.097	C	C	.	.	H	α-helix	trans	-68.9	-38.7	171.3	0	0	0	0	0	112.4	A570 Y579 D580 T582 W587 S588	A570-A584 HydrophobicContact CB-CB 4.31Å; Y579-A584 HydrophobicContact CD2-CB 3.74Å; Y579-A584 HydrophobicContact CE2-CB 4.04Å; D580-A584 PolarHBondContact O-N 2.77Å; D580-A584 VanDerWaalsContact O-N 3.11Å; T582-A584 VanDerWaalsContact C-N 3.34Å; T582-A584 PolarHBondContact O-N 3.38Å; A584-W587 PolarHBondContact O-N 3.2Å; A584-S588 PolarHBondContact O-N 2.89Å; A584-S588 VanDerWaalsContact O-N 3.15Å; A584-S588 PolarHBondContact O-OG 3.32Å
585	D	97.7	Very high	95.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.9	-39.6	169.6	-83.7	-17.1	0	0	0	110.9	I516 H520 H526 R527 L529 G581 T582 S588 L589	I516-D585 HydrophobicContact CG2-CB 4.32Å; H520-D585 IonicContact CD2-OD2 2.83Å; H520-D585 IonicContact CE1-OD2 3.92Å; H520-D585 WeakPolarHBondContact NE2-CB 3.36Å; H520-D585 IonicContact NE2-OD2 2.9Å; H520-D585 PolarHBondContact NE2-OD2 3.02Å; H526-D585 PolarHBondContact N-OD2 2.88Å; R527-D585 WeakPolarHBondContact CA-OD1 3.39Å; R527-D585 PolarHBondContact N-OD1 2.95Å; L529-D585 HydrophobicContact CD1-CB 3.76Å; G581-D585 PolarHBondContact O-N 3.06Å; G581-D585 VanDerWaalsContact O-N 3.08Å; T582-D585 WeakPolarHBondContact O-CB 3.2Å; T582-D585 PolarHBondContact O-N 3.19Å; D585-S588 WeakPolarHBondContact O-CB 3.31Å; D585-S588 PolarHBondContact O-N 3.43Å; D585-L589 WeakPolarHBondContact O-CG 3.45Å; D585-L589 PolarHBondContact O-N 3.2Å
586	V	98.4	Very high	96.1	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-64.2	-41.2	176	179.2	0	0	0	0	112.8	T582 L583 S588 L589 G590 M637 Y646 L648 V651	T582-V586 WeakPolarHBondContact O-CG2 3.37Å; T582-V586 PolarHBondContact O-N 2.85Å; L583-V586 PolarHBondContact O-N 2.92Å; V586-S588 VanDerWaalsContact C-N 3.27Å; V586-S588 PolarHBondContact O-N 3.11Å; V586-L589 CarbonylContact O-C 3.01Å; V586-L589 WeakPolarHBondContact O-CB 3.44Å; V586-L589 PolarHBondContact O-N 3.46Å; V586-L589 VanDerWaalsContact O-N 3.15Å; V586-G590 PolarHBondContact O-N 2.9Å; V586-M637 HydrophobicContact CG1-CB 3.98Å; V586-M637 HydrophobicContact CG1-CG 3.7Å; V586-M637 HydrophobicContact CG1-SD 4.22Å; V586-Y646 WeakPolarHBondContact CG1-O 3.18Å; V586-L648 HydrophobicContact CG2-CD2 3.76Å; V586-L648 HydrophobicContact CG2-CG 3.91Å; V586-V651 HydrophobicContact CG1-CG2 4.32Å
587	W	98.3	Very high	96.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58.6	-43.9	173.4	172.8	-80.3	0	0	0	111.1	Y568 A569 A570 P571 L583 A584 L589 G590 V591 F603 V615 L638 Q639 V640	Y568-W587 VanDerWaalsContact O-CD1 3.25Å; A569-W587 PolarHBondContact O-NE1 3.25Å; A570-W587 VanDerWaalsContact CA-CD1 3.42Å; A570-W587 HydrophobicContact CB-CB 3.79Å; A570-W587 HydrophobicContact CB-CD2 4.28Å; A570-W587 HydrophobicContact CB-CG 3.7Å; P571-W587 HydrophobicContact CG-CD2 4.5Å; P571-W587 HydrophobicContact CG-CE3 4.15Å; P571-W587 HydrophobicContact CG-CH2 3.51Å; P571-W587 HydrophobicContact CG-CZ2 3.89Å; P571-W587 HydrophobicContact CG-CZ3 3.65Å; L583-W587 PolarHBondContact O-N 2.84Å; A584-W587 PolarHBondContact O-N 3.2Å; W587-L589 VanDerWaalsContact C-N 3.27Å; W587-L589 PolarHBondContact O-N 2.82Å; W587-G590 WeakPolarHBondContact O-CA 3.4Å; W587-G590 PolarHBondContact O-N 3.25Å; W587-V591 PolarHBondContact O-N 2.86Å; W587-F603 HydrophobicContact CH2-CE1 4.47Å; W587-F603 AromaticContact CH2-CE2 3.86Å; W587-F603 HydrophobicContact CH2-CE2 3.86Å; W587-F603 AromaticContact CH2-CZ 3.55Å; W587-F603 HydrophobicContact CH2-CZ 3.55Å; W587-F603 HydrophobicContact CZ2-CD2 4.17Å; W587-F603 AromaticContact CZ2-CE2 3.26Å; W587-F603 HydrophobicContact CZ2-CE2 3.26Å; W587-F603 AromaticContact CZ2-CZ 3.48Å; W587-F603 HydrophobicContact CZ2-CZ 3.48Å; W587-F603 VanDerWaalsContact CZ2-CZ 3.48Å; W587-V615 HydrophobicContact CH2-CG1 4.44Å; W587-V615 HydrophobicContact CZ2-CG1 3.82Å; W587-L638 HydrophobicContact CD2-CD2 3.71Å; W587-L638 HydrophobicContact CE3-CB 4.41Å; W587-L638 HydrophobicContact CE3-CD2 3.92Å; W587-L638 HydrophobicContact CG-CD2 4.16Å; W587-L638 HydrophobicContact CH2-CD2 4.42Å; W587-L638 HydrophobicContact CZ2-CD2 4.22Å; W587-L638 VanDerWaalsContact CZ3-C 3.48Å; W587-L638 HydrophobicContact CZ3-CB 4.19Å; W587-L638 HydrophobicContact CZ3-CD2 4.27Å; W587-L638 WeakPolarHBondContact CZ3-O 3.32Å; W587-L638 WeakPolarHBondContact O-CD2 3.39Å; W587-Q639 WeakPolarHBondContact CZ3-O 3.32Å; W587-V640 HydrophobicContact CH2-CG2 4.35Å; W587-V640 HydrophobicContact CZ3-CG2 4.32Å
588	S	98.3	Very high	96.8	Very high	8 Å²	8	7.4 Å²	7.4	6%	0.056	4%	0.043	C	C	.	.	H	α-helix	trans	-59.2	-39.4	176.3	-50.5	0	0	0	0	111.5	Y568 A584 D585 V586 V591 I592	Y568-S588 PolarHBondContact O-OG 2.73Å; A584-S588 PolarHBondContact O-N 2.89Å; A584-S588 VanDerWaalsContact O-N 3.15Å; A584-S588 PolarHBondContact O-OG 3.32Å; D585-S588 WeakPolarHBondContact O-CB 3.31Å; D585-S588 PolarHBondContact O-N 3.43Å; V586-S588 VanDerWaalsContact C-N 3.27Å; V586-S588 PolarHBondContact O-N 3.11Å; S588-V591 PolarHBondContact O-N 3.36Å; S588-I592 WeakPolarHBondContact O-CD1 2.98Å; S588-I592 WeakPolarHBondContact O-CG1 3.21Å; S588-I592 PolarHBondContact O-N 2.96Å
589	L	98.6	Very high	96.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66.4	-35.1	172.5	-68.4	173.5	0	0	0	113.2	F509 I512 I516 L529 D585 V586 W587 V591 I592 L593 M637 L648	F509-L589 HydrophobicContact CE2-CB 4.03Å; F509-L589 HydrophobicContact CE2-CD2 4.28Å; F509-L589 WeakPolarHBondContact CE2-O 3.47Å; F509-L589 HydrophobicContact CZ-CB 3.95Å; I512-L589 HydrophobicContact CG2-CD2 3.3Å; I516-L589 HydrophobicContact CB-CD1 4.28Å; I516-L589 HydrophobicContact CG1-CD1 4.24Å; I516-L589 HydrophobicContact CG1-CD2 4.32Å; I516-L589 HydrophobicContact CG2-CD1 4.27Å; L529-L589 HydrophobicContact CD1-CD2 4.13Å; L529-L589 HydrophobicContact CD1-CG 4.05Å; D585-L589 WeakPolarHBondContact O-CG 3.45Å; D585-L589 PolarHBondContact O-N 3.2Å; V586-L589 CarbonylContact O-C 3.01Å; V586-L589 WeakPolarHBondContact O-CB 3.44Å; V586-L589 PolarHBondContact O-N 3.46Å; V586-L589 VanDerWaalsContact O-N 3.15Å; W587-L589 VanDerWaalsContact C-N 3.27Å; W587-L589 PolarHBondContact O-N 2.82Å; L589-V591 VanDerWaalsContact C-N 3.34Å; L589-I592 HydrophobicContact CD2-CD1 4.16Å; L589-I592 PolarHBondContact O-N 3.39Å; L589-L593 PolarHBondContact O-N 2.62Å; L589-M637 HydrophobicContact CB-SD 4.49Å; L589-L648 HydrophobicContact CD1-CD2 3.71Å
590	G	98.5	Very high	96.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.4	-39.5	171.4	0	0	0	0	0	112.9	V586 W587 Y594	V586-G590 PolarHBondContact O-N 2.9Å; W587-G590 WeakPolarHBondContact O-CA 3.4Å; W587-G590 PolarHBondContact O-N 3.25Å; G590-Y594 PolarHBondContact O-N 2.92Å; G590-Y594 VanDerWaalsContact O-N 3.14Å
591	V	98.2	Very high	96.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.9	-45	172.6	176.3	0	0	0	0	110.8	Y568 W587 S588 L589 Y594 I595 F601 P602 F603 L638	Y568-V591 HydrophobicContact CD1-CB 3.98Å; Y568-V591 HydrophobicContact CD1-CG1 3.46Å; Y568-V591 VanDerWaalsContact CD1-CG1 3.46Å; Y568-V591 HydrophobicContact CE1-CG1 3.88Å; Y568-V591 HydrophobicContact CG-CG1 4.18Å; W587-V591 PolarHBondContact O-N 2.86Å; S588-V591 PolarHBondContact O-N 3.36Å; L589-V591 VanDerWaalsContact C-N 3.34Å; V591-Y594 PolarHBondContact O-N 3.41Å; V591-I595 HydrophobicContact CG1-CD1 3.68Å; V591-I595 HydrophobicContact CG1-CG1 4.46Å; V591-I595 WeakPolarHBondContact O-CD1 3.41Å; V591-I595 VanDerWaalsContact O-CG1 3.26Å; V591-I595 WeakPolarHBondContact O-CG1 3.45Å; V591-I595 PolarHBondContact O-N 3.02Å; V591-F601 HydrophobicContact CG1-CD1 4.36Å; V591-P602 HydrophobicContact CB-CG 4.37Å; V591-P602 HydrophobicContact CG1-CG 4.1Å; V591-P602 HydrophobicContact CG2-CG 4.07Å; V591-F603 HydrophobicContact CG2-CE2 4.34Å; V591-L638 HydrophobicContact CG2-CD2 3.87Å
592	I	98.1	Very high	96.9	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-60.1	-46.7	176.7	-71.8	159.6	0	0	0	111.7	I512 L529 L534 Y568 S588 L589 Y594 I595 L596	I512-I592 HydrophobicContact CD1-CG2 4.22Å; L529-I592 HydrophobicContact CB-CD1 3.94Å; L534-I592 HydrophobicContact CD1-CD1 4.19Å; L534-I592 HydrophobicContact CD1-CG2 3.79Å; Y568-I592 HydrophobicContact CD1-CG1 4.14Å; Y568-I592 HydrophobicContact CE1-CG1 3.95Å; S588-I592 WeakPolarHBondContact O-CD1 2.98Å; S588-I592 WeakPolarHBondContact O-CG1 3.21Å; S588-I592 PolarHBondContact O-N 2.96Å; L589-I592 HydrophobicContact CD2-CD1 4.16Å; L589-I592 PolarHBondContact O-N 3.39Å; I592-Y594 VanDerWaalsContact C-N 3.35Å; I592-Y594 PolarHBondContact O-N 3.07Å; I592-I595 PolarHBondContact O-N 2.79Å; I592-L596 HydrophobicContact CG2-CD1 3.96Å; I592-L596 HydrophobicContact CG2-CG 4.37Å; I592-L596 WeakPolarHBondContact O-CG 3.49Å; I592-L596 PolarHBondContact O-N 2.74Å
593	L	98.3	Very high	96.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.5	-45.1	179.2	179.6	56.2	0	0	0	111	F509 L589 I595 L596 V597 V633 I634 M637 W656	F509-L593 HydrophobicContact CB-CD1 4.39Å; F509-L593 HydrophobicContact CD1-CD1 4.47Å; F509-L593 HydrophobicContact CD1-CD2 4.24Å; F509-L593 HydrophobicContact CD2-CB 4.04Å; F509-L593 HydrophobicContact CD2-CD1 4.27Å; F509-L593 HydrophobicContact CE1-CD2 4.06Å; F509-L593 HydrophobicContact CE2-CB 3.74Å; F509-L593 HydrophobicContact CG-CD1 4.13Å; F509-L593 HydrophobicContact CZ-CB 4Å; F509-L593 HydrophobicContact CZ-CD2 4.31Å; L589-L593 PolarHBondContact O-N 2.62Å; L593-I595 VanDerWaalsContact C-N 3.32Å; L593-I595 PolarHBondContact O-N 2.95Å; L593-L596 WeakPolarHBondContact O-CB 3.4Å; L593-L596 PolarHBondContact O-N 3.01Å; L593-V597 HydrophobicContact CD1-CG1 4.22Å; L593-V597 WeakPolarHBondContact O-CG2 3.25Å; L593-V597 PolarHBondContact O-N 3.31Å; L593-V597 VanDerWaalsContact O-N 3.15Å; L593-V633 HydrophobicContact CD2-CG1 3.89Å; L593-I634 HydrophobicContact CB-CG1 4.35Å; L593-I634 HydrophobicContact CD2-CD1 4.42Å; L593-I634 HydrophobicContact CD2-CG1 3.68Å; L593-I634 HydrophobicContact CG-CD1 4.16Å; L593-I634 HydrophobicContact CG-CG1 3.83Å; L593-M637 HydrophobicContact CB-CE 4.1Å; L593-M637 HydrophobicContact CD2-CE 3.55Å; L593-M637 HydrophobicContact CG-CE 4.45Å; L593-W656 HydrophobicContact CD1-CH2 3.45Å; L593-W656 VanDerWaalsContact CD1-CH2 3.45Å; L593-W656 HydrophobicContact CD1-CZ2 4.21Å; L593-W656 HydrophobicContact CD1-CZ3 3.86Å; L593-W656 HydrophobicContact CD2-CE3 4.48Å; L593-W656 HydrophobicContact CD2-CH2 4.36Å; L593-W656 HydrophobicContact CD2-CZ3 4.04Å
594	Y	97.9	Very high	96.6	Very high	12 Å²	12	13.2 Å²	13.2	5%	0.047	9%	0.089	C	C	.	.	H	α-helix	trans	-57.7	-44.4	175	-175.4	-81.8	0	0	0	111.7	G590 V591 I592 V597 C598 S600 P602 V620 R621 I634	G590-Y594 PolarHBondContact O-N 2.92Å; G590-Y594 VanDerWaalsContact O-N 3.14Å; V591-Y594 PolarHBondContact O-N 3.41Å; I592-Y594 VanDerWaalsContact C-N 3.35Å; I592-Y594 PolarHBondContact O-N 3.07Å; Y594-V597 PolarHBondContact O-N 3.24Å; Y594-C598 HydrophobicContact CD1-CB 3.98Å; Y594-C598 HydrophobicContact CE1-CB 3.64Å; Y594-C598 HydrophobicContact CE2-CB 4.49Å; Y594-C598 WeakPolarHBondContact O-CA 3.45Å; Y594-C598 WeakPolarHBondContact O-CB 3.49Å; Y594-C598 PolarHBondContact O-N 3.45Å; Y594-S600 WeakPolarHBondContact CD1-O 3.45Å; Y594-S600 VanDerWaalsContact CE1-O 3.27Å; Y594-S600 WeakPolarHBondContact CE1-O 3.39Å; Y594-P602 HydrophobicContact CD1-CB 3.75Å; Y594-P602 HydrophobicContact CD1-CG 4.06Å; Y594-P602 HydrophobicContact CD2-CB 4.08Å; Y594-P602 HydrophobicContact CE1-CB 4Å; Y594-P602 HydrophobicContact CE2-CB 4.29Å; Y594-P602 HydrophobicContact CG-CB 3.8Å; Y594-P602 HydrophobicContact CG-CG 4.19Å; Y594-V620 HydrophobicContact CD2-CG1 3.9Å; Y594-V620 HydrophobicContact CE2-CG1 3.63Å; Y594-R621 VanDerWaalsContact CE2-O 3.26Å; Y594-R621 WeakPolarHBondContact CE2-O 3.42Å; Y594-R621 PolarHBondContact OH-O 3.36Å; Y594-I634 HydrophobicContact CD2-CD1 4.46Å; Y594-I634 HydrophobicContact CD2-CG2 4.33Å
595	I	96.5	Very high	96.3	Very high	5 Å²	5	13.7 Å²	13.7	3%	0.026	9%	0.094	C	C	.	.	H	α-helix	trans	-65.3	-39.3	178	-64.8	159.9	0	0	0	111.6	I494 Y568 V591 I592 L593 V597 G599 S600 F601	I494-I595 HydrophobicContact CD1-CG2 3.87Å; Y568-I595 HydrophobicContact CD1-CD1 4.46Å; Y568-I595 HydrophobicContact CE1-CD1 3.56Å; V591-I595 HydrophobicContact CG1-CD1 3.68Å; V591-I595 HydrophobicContact CG1-CG1 4.46Å; V591-I595 WeakPolarHBondContact O-CD1 3.41Å; V591-I595 VanDerWaalsContact O-CG1 3.26Å; V591-I595 WeakPolarHBondContact O-CG1 3.45Å; V591-I595 PolarHBondContact O-N 3.02Å; I592-I595 PolarHBondContact O-N 2.79Å; L593-I595 VanDerWaalsContact C-N 3.32Å; L593-I595 PolarHBondContact O-N 2.95Å; I595-V597 PolarHBondContact O-N 2.96Å; I595-G599 VanDerWaalsContact O-CA 3.31Å; I595-G599 WeakPolarHBondContact O-CA 3.21Å; I595-G599 PolarHBondContact O-N 3.16Å; I595-S600 WeakPolarHBondContact CG1-O 3.47Å; I595-F601 HydrophobicContact CD1-CD1 3.6Å; I595-F601 HydrophobicContact CD1-CE1 3.45Å; I595-F601 VanDerWaalsContact CD1-CE1 3.45Å; I595-F601 HydrophobicContact CD1-CG 4.3Å; I595-F601 HydrophobicContact CD1-CZ 4.04Å; I595-F601 HydrophobicContact CG1-CD1 4.22Å; I595-F601 HydrophobicContact CG1-CE1 4.42Å; I595-F601 HydrophobicContact CG1-CG 4.49Å
596	L	96.8	Very high	95.9	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-57.4	-45.7	175.9	-76.4	166	0	0	0	112	V490 I494 F500 A505 L508 F509 I512 I592 L593	V490-L596 HydrophobicContact CG1-CD2 3.82Å; I494-L596 HydrophobicContact CD1-CD2 4.08Å; F500-L596 HydrophobicContact CD2-CD2 3.51Å; F500-L596 HydrophobicContact CE2-CD2 3.7Å; F500-L596 PolarHBondContact N-O 3.3Å; A505-L596 HydrophobicContact CB-CB 4.05Å; L508-L596 HydrophobicContact CD1-CD2 4.31Å; F509-L596 HydrophobicContact CD2-CD1 4.36Å; I512-L596 HydrophobicContact CD1-CD1 4.39Å; I592-L596 HydrophobicContact CG2-CD1 3.96Å; I592-L596 HydrophobicContact CG2-CG 4.37Å; I592-L596 WeakPolarHBondContact O-CG 3.49Å; I592-L596 PolarHBondContact O-N 2.74Å; L593-L596 WeakPolarHBondContact O-CB 3.4Å; L593-L596 PolarHBondContact O-N 3.01Å
597	V	96.7	Very high	95.6	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.03	15%	0.153	C	C	.	.	H	α-helix	trans	-94	-19	-175.1	-56.1	0	0	0	0	114.7	E502 A505 L593 Y594 I595 L626 I634	E502-V597 HydrophobicContact CG-CG1 4.18Å; A505-V597 HydrophobicContact CB-CG1 3.56Å; L593-V597 HydrophobicContact CD1-CG1 4.22Å; L593-V597 WeakPolarHBondContact O-CG2 3.25Å; L593-V597 PolarHBondContact O-N 3.31Å; L593-V597 VanDerWaalsContact O-N 3.15Å; Y594-V597 PolarHBondContact O-N 3.24Å; I595-V597 PolarHBondContact O-N 2.96Å; V597-L626 HydrophobicContact CB-CD2 3.88Å; V597-L626 HydrophobicContact CG2-CD1 4.45Å; V597-L626 HydrophobicContact CG2-CD2 3.53Å; V597-I634 HydrophobicContact CG2-CD1 4.09Å
598	C	95.4	Very high	95.3	Very high	10 Å²	10	28.7 Å²	28.7	7%	0.068	17%	0.172	C	C	.	.	H	α-helix	trans	-111.1	-12.2	-179.7	-60.1	0	0	0	0	114.9	Y594 S600	Y594-C598 HydrophobicContact CD1-CB 3.98Å; Y594-C598 HydrophobicContact CE1-CB 3.64Å; Y594-C598 HydrophobicContact CE2-CB 4.49Å; Y594-C598 WeakPolarHBondContact O-CA 3.45Å; Y594-C598 WeakPolarHBondContact O-CB 3.49Å; Y594-C598 PolarHBondContact O-N 3.45Å; C598-S600 PolarHBondContact O-N 3.05Å; C598-S600 VanDerWaalsContact O-N 3.12Å; C598-S600 PolarHBondContact O-OG 2.98Å; C598-S600 VanDerWaalsContact O-OG 3.1Å
599	G	93.8	Very high	95	Very high	40 Å²	40	30.1 Å²	30.1	41%	0.412	19%	0.189	S	C	.	.	S	Bend	trans	61.1	19.3	-177	0	0	0	0	0	114.4	I595	I595-G599 VanDerWaalsContact O-CA 3.31Å; I595-G599 WeakPolarHBondContact O-CA 3.21Å; I595-G599 PolarHBondContact O-N 3.16Å
600	S	92.7	Very high	94.8	Very high	55 Å²	55	33.6 Å²	33.6	39%	0.385	21%	0.207	S	C	.	.	S	Bend	trans	-154.6	163.7	-173.8	51.3	0	0	0	0	110.7	Y594 I595 C598	Y594-S600 WeakPolarHBondContact CD1-O 3.45Å; Y594-S600 VanDerWaalsContact CE1-O 3.27Å; Y594-S600 WeakPolarHBondContact CE1-O 3.39Å; I595-S600 WeakPolarHBondContact CG1-O 3.47Å; C598-S600 PolarHBondContact O-N 3.05Å; C598-S600 VanDerWaalsContact O-N 3.12Å; C598-S600 PolarHBondContact O-OG 2.98Å; C598-S600 VanDerWaalsContact O-OG 3.1Å
601	F	94.7	Very high	94.5	Very high	35 Å²	35	33.8 Å²	33.8	15%	0.154	21%	0.208	C	C	.	.			trans	-81.7	144.2	-179.9	-73.2	-90.5	0	0	0	112.3	Q567 Y568 V591 I595 F603	Q567-F601 HydrophobicContact CB-CD1 3.92Å; Q567-F601 HydrophobicContact CB-CE1 3.78Å; Q567-F601 VanDerWaalsContact OE1-CZ 3.28Å; Y568-F601 HydrophobicContact CE1-CE1 4.27Å; Y568-F601 AromaticContact CE2-CE1 3.91Å; Y568-F601 HydrophobicContact CE2-CE1 3.91Å; Y568-F601 HydrophobicContact CE2-CZ 4.37Å; Y568-F601 AromaticContact CZ-CE1 3.78Å; V591-F601 HydrophobicContact CG1-CD1 4.36Å; I595-F601 HydrophobicContact CD1-CD1 3.6Å; I595-F601 HydrophobicContact CD1-CE1 3.45Å; I595-F601 VanDerWaalsContact CD1-CE1 3.45Å; I595-F601 HydrophobicContact CD1-CG 4.3Å; I595-F601 HydrophobicContact CD1-CZ 4.04Å; I595-F601 HydrophobicContact CG1-CD1 4.22Å; I595-F601 HydrophobicContact CG1-CE1 4.42Å; I595-F601 HydrophobicContact CG1-CG 4.49Å; F601-F603 VanDerWaalsContact C-N 3.32Å; F601-F603 PolarHBondContact O-N 3.37Å
602	P	96.3	Very high	94.3	Very high	4 Å²	4	37 Å²	37	3%	0.026	22%	0.22	C	C	.	.	S	Bend	trans	-71.3	-23.2	178.5	25.9	-31.1	0	0	0	113.9	V591 Y594 P604 V620 L638	V591-P602 HydrophobicContact CB-CG 4.37Å; V591-P602 HydrophobicContact CG1-CG 4.1Å; V591-P602 HydrophobicContact CG2-CG 4.07Å; Y594-P602 HydrophobicContact CD1-CB 3.75Å; Y594-P602 HydrophobicContact CD1-CG 4.06Å; Y594-P602 HydrophobicContact CD2-CB 4.08Å; Y594-P602 HydrophobicContact CE1-CB 4Å; Y594-P602 HydrophobicContact CE2-CB 4.29Å; Y594-P602 HydrophobicContact CG-CB 3.8Å; Y594-P602 HydrophobicContact CG-CG 4.19Å; P602-P604 VanDerWaalsContact C-CD 3.47Å; P602-P604 WeakPolarHBondContact O-CD 3.24Å; P602-V620 HydrophobicContact CB-CG1 3.87Å; P602-V620 HydrophobicContact CB-CG2 4.19Å; P602-L638 HydrophobicContact CB-CD1 4.24Å; P602-L638 HydrophobicContact CG-CD1 4.27Å
603	F	95.7	Very high	94.2	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.026	24%	0.238	C	C	.	.	S	Bend	trans	-123.4	68.4	-177.9	-51.2	-69.3	0	0	0	111.6	W587 V591 F601 G605 Q614 V615 V620 L638	W587-F603 HydrophobicContact CH2-CE1 4.47Å; W587-F603 AromaticContact CH2-CE2 3.86Å; W587-F603 HydrophobicContact CH2-CE2 3.86Å; W587-F603 AromaticContact CH2-CZ 3.55Å; W587-F603 HydrophobicContact CH2-CZ 3.55Å; W587-F603 HydrophobicContact CZ2-CD2 4.17Å; W587-F603 AromaticContact CZ2-CE2 3.26Å; W587-F603 HydrophobicContact CZ2-CE2 3.26Å; W587-F603 AromaticContact CZ2-CZ 3.48Å; W587-F603 HydrophobicContact CZ2-CZ 3.48Å; W587-F603 VanDerWaalsContact CZ2-CZ 3.48Å; V591-F603 HydrophobicContact CG2-CE2 4.34Å; F601-F603 VanDerWaalsContact C-N 3.32Å; F601-F603 PolarHBondContact O-N 3.37Å; F603-G605 PolarHBondContact O-N 2.61Å; F603-Q614 HydrophobicContact CB-CB 4.06Å; F603-Q614 HydrophobicContact CD1-CB 4.31Å; F603-V615 HydrophobicContact CB-CG2 3.91Å; F603-V615 HydrophobicContact CD1-CG2 4.47Å; F603-V615 HydrophobicContact CD2-CG2 3.77Å; F603-V615 HydrophobicContact CE2-CG2 4.45Å; F603-V615 HydrophobicContact CG-CG2 3.79Å; F603-V620 HydrophobicContact CE1-CG2 3.57Å; F603-V620 HydrophobicContact CE2-CG2 4.48Å; F603-V620 HydrophobicContact CZ-CG2 3.52Å; F603-L638 HydrophobicContact CE2-CD1 4.33Å; F603-L638 HydrophobicContact CE2-CD2 4.36Å; F603-L638 HydrophobicContact CZ-CD1 4.31Å
604	P	90.8	Very high	94	Very high	89 Å²	89	42.6 Å²	42.6	58%	0.578	25%	0.251	S	S	*	.			trans	-74.5	107.5	-171.8	30.3	-36.2	0	0	0	113.1	P602 Q614	P602-P604 VanDerWaalsContact C-CD 3.47Å; P602-P604 WeakPolarHBondContact O-CD 3.24Å; P604-Q614 PolarHBondContact O-NE2 2.85Å; P604-Q614 PolarHBondContact O-OE1 3.24Å
605	G	89.9	Confident	93.9	Very high	14 Å²	14	42 Å²	42	14%	0.144	25%	0.248	C	C	.	.			trans	-130	146.4	175	0	0	0	0	0	113.5	F603	F603-G605 PolarHBondContact O-N 2.61Å
606	E	89.6	Confident	93.9	Very high	186 Å²	186	45 Å²	45	87%	0.869	26%	0.264	S	S	*	.	S	Bend	trans	-79.7	-37.4	178.6	-65.5	-178.9	-174.4	0	0	112
607	S	93.3	Very high	93.8	Very high	55 Å²	55	52.9 Å²	52.9	39%	0.385	29%	0.293	S	S	.	.	S	Bend	trans	-108.5	161.3	172.7	80.8	0	0	0	0	112.7	G609 D610 I611	S607-G609 PolarHBondContact O-N 2.89Å; S607-G609 PolarHBondContact OG-N 3.43Å; S607-D610 VanDerWaalsContact CB-OD2 3.25Å; S607-D610 WeakPolarHBondContact CB-OD2 3.38Å; S607-D610 PolarHBondContact N-OD2 2.92Å; S607-D610 PolarHBondContact O-N 3.03Å; S607-D610 VanDerWaalsContact O-N 3.08Å; S607-D610 VanDerWaalsContact OG-CG 3.31Å; S607-D610 PolarHBondContact OG-N 2.67Å; S607-D610 PolarHBondContact OG-OD2 2.71Å; S607-I611 WeakPolarHBondContact O-CG1 3.36Å; S607-I611 PolarHBondContact O-N 2.87Å
608	L	90.6	Very high	93.6	Very high	75 Å²	75	53.7 Å²	53.7	39%	0.393	30%	0.303	S	S	.	.	H	α-helix	trans	-58.3	-30.2	172	-174.2	63.2	0	0	0	112.2	P174 P566 F574 R612	P174-L608 HydrophobicContact CG-CD1 4.34Å; P566-L608 HydrophobicContact CB-CD1 3.8Å; P566-L608 HydrophobicContact CG-CD1 4.3Å; F574-L608 HydrophobicContact CE1-CD1 4.03Å; F574-L608 HydrophobicContact CZ-CD1 4.5Å; L608-R612 WeakPolarHBondContact O-CB 3.13Å; L608-R612 PolarHBondContact O-N 2.76Å
609	G	92.8	Very high	93.4	Very high	39 Å²	39	59.8 Å²	59.8	40%	0.402	33%	0.334	S	S	.	.	H	α-helix	trans	-68.8	-38.3	174.6	0	0	0	0	0	112.9	S607 T613	S607-G609 PolarHBondContact O-N 2.89Å; S607-G609 PolarHBondContact OG-N 3.43Å; G609-T613 VanDerWaalsContact O-CB 3.26Å; G609-T613 WeakPolarHBondContact O-CB 3.44Å; G609-T613 PolarHBondContact O-N 2.74Å; G609-T613 PolarHBondContact O-OG1 3.43Å
610	D	93.7	Very high	93.4	Very high	73 Å²	73	59 Å²	59	39%	0.39	32%	0.321	S	S	.	.	H	α-helix	trans	-69.1	-44.3	175.7	-56.7	-62.8	0	0	0	111.3	S607 T613 Q614	S607-D610 VanDerWaalsContact CB-OD2 3.25Å; S607-D610 WeakPolarHBondContact CB-OD2 3.38Å; S607-D610 PolarHBondContact N-OD2 2.92Å; S607-D610 PolarHBondContact O-N 3.03Å; S607-D610 VanDerWaalsContact O-N 3.08Å; S607-D610 VanDerWaalsContact OG-CG 3.31Å; S607-D610 PolarHBondContact OG-N 2.67Å; S607-D610 PolarHBondContact OG-OD2 2.71Å; D610-T613 PolarHBondContact O-N 2.95Å; D610-Q614 WeakPolarHBondContact O-CG 3.38Å; D610-Q614 PolarHBondContact O-N 2.68Å
611	I	93.8	Very high	93.5	Very high	4 Å²	4	66.4 Å²	66.4	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-59.1	-52.8	176	-63.5	164.4	0	0	0	109.4	Q567 F574 S607 T613 Q614 V615	Q567-I611 HydrophobicContact CG-CD1 3.89Å; F574-I611 HydrophobicContact CZ-CG2 4.13Å; S607-I611 WeakPolarHBondContact O-CG1 3.36Å; S607-I611 PolarHBondContact O-N 2.87Å; I611-T613 VanDerWaalsContact C-N 3.31Å; I611-T613 PolarHBondContact O-N 2.97Å; I611-Q614 PolarHBondContact O-N 3.48Å; I611-Q614 VanDerWaalsContact O-N 3.07Å; I611-V615 HydrophobicContact CG2-CG2 4.2Å; I611-V615 WeakPolarHBondContact O-CB 3.35Å; I611-V615 WeakPolarHBondContact O-CG2 3.31Å; I611-V615 PolarHBondContact O-N 3.3Å
612	R	94.2	Very high	93.5	Very high	68 Å²	68	66.8 Å²	66.8	26%	0.257	34%	0.343	S	S	.	.	H	α-helix	trans	-54.2	-45.9	175.6	-178.8	172.1	-170.3	-165.9	2.6	111.9	E164 F574 L608 Q614 V615 L616	E164-R612 IonicContact OE1-CZ 3.54Å; E164-R612 IonicContact OE1-NH1 2.69Å; E164-R612 PolarHBondContact OE1-NH1 2.72Å; E164-R612 IonicContact OE1-NH2 3.65Å; E164-R612 PolarHBondContact OE1-NH2 2.95Å; E164-R612 IonicContact OE2-CZ 2.58Å; E164-R612 IonicContact OE2-NH1 2.64Å; E164-R612 PolarHBondContact OE2-NH1 3.03Å; F574-R612 HydrophobicContact CB-CG 4.09Å; F574-R612 HydrophobicContact CD1-CB 3.67Å; F574-R612 HydrophobicContact CD1-CG 3.55Å; F574-R612 HydrophobicContact CE1-CB 3.75Å; F574-R612 HydrophobicContact CE1-CG 4.18Å; F574-R612 HydrophobicContact CG-CB 4.41Å; F574-R612 HydrophobicContact CG-CG 4.04Å; F574-R612 PolarHBondContact O-NE 2.61Å; F574-R612 PolarHBondContact O-NH2 2.6Å; L608-R612 WeakPolarHBondContact O-CB 3.13Å; L608-R612 PolarHBondContact O-N 2.76Å; R612-Q614 VanDerWaalsContact C-N 3.29Å; R612-Q614 PolarHBondContact O-N 3.49Å; R612-V615 PolarHBondContact O-N 3.3Å; R612-L616 HydrophobicContact CG-CD1 3.71Å; R612-L616 HydrophobicContact CG-CG 4.32Å; R612-L616 VanDerWaalsContact O-CB 3.32Å; R612-L616 WeakPolarHBondContact O-CB 3.36Å; R612-L616 VanDerWaalsContact O-CG 3.23Å; R612-L616 WeakPolarHBondContact O-CG 3.34Å; R612-L616 PolarHBondContact O-N 2.9Å
613	T	94.6	Very high	93.4	Very high	61 Å²	61	68.1 Å²	68.1	37%	0.374	35%	0.351	S	S	.	.	H	α-helix	trans	-64.5	-31.5	179.6	-60.2	0	0	0	0	112.7	G609 D610 I611 R617	G609-T613 VanDerWaalsContact O-CB 3.26Å; G609-T613 WeakPolarHBondContact O-CB 3.44Å; G609-T613 PolarHBondContact O-N 2.74Å; G609-T613 PolarHBondContact O-OG1 3.43Å; D610-T613 PolarHBondContact O-N 2.95Å; I611-T613 VanDerWaalsContact C-N 3.31Å; I611-T613 PolarHBondContact O-N 2.97Å; T613-R617 VanDerWaalsContact O-CD 3.25Å; T613-R617 WeakPolarHBondContact O-CD 3.46Å; T613-R617 WeakPolarHBondContact O-CG 2.95Å
614	Q	95.1	Very high	93.3	Very high	58 Å²	58	76.9 Å²	76.9	27%	0.271	39%	0.39	S	S	.	.	H	α-helix	trans	-82.2	-42.4	177.4	-71.2	-180	52.1	0	0	112.5	F603 P604 D610 I611 R612 R617 G618	F603-Q614 HydrophobicContact CB-CB 4.06Å; F603-Q614 HydrophobicContact CD1-CB 4.31Å; P604-Q614 PolarHBondContact O-NE2 2.85Å; P604-Q614 PolarHBondContact O-OE1 3.24Å; D610-Q614 WeakPolarHBondContact O-CG 3.38Å; D610-Q614 PolarHBondContact O-N 2.68Å; I611-Q614 PolarHBondContact O-N 3.48Å; I611-Q614 VanDerWaalsContact O-N 3.07Å; R612-Q614 VanDerWaalsContact C-N 3.29Å; R612-Q614 PolarHBondContact O-N 3.49Å; Q614-R617 WeakPolarHBondContact O-CB 3.1Å; Q614-R617 PolarHBondContact O-N 2.81Å; Q614-R617 VanDerWaalsContact O-N 3.08Å; Q614-G618 PolarHBondContact O-N 2.75Å; Q614-G618 VanDerWaalsContact O-N 3.1Å
615	V	95.7	Very high	93.4	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-58.3	-49.1	174.7	167.5	0	0	0	0	110.7	P571 F574 W587 F603 I611 R612 R617 G618	P571-V615 HydrophobicContact CB-CG1 4.22Å; P571-V615 HydrophobicContact CG-CG1 3.78Å; F574-V615 HydrophobicContact CD2-CB 4.22Å; F574-V615 HydrophobicContact CD2-CG1 3.64Å; F574-V615 HydrophobicContact CE2-CB 4.11Å; F574-V615 HydrophobicContact CE2-CG1 3.84Å; F574-V615 HydrophobicContact CE2-CG2 4.03Å; W587-V615 HydrophobicContact CH2-CG1 4.44Å; W587-V615 HydrophobicContact CZ2-CG1 3.82Å; F603-V615 HydrophobicContact CB-CG2 3.91Å; F603-V615 HydrophobicContact CD1-CG2 4.47Å; F603-V615 HydrophobicContact CD2-CG2 3.77Å; F603-V615 HydrophobicContact CE2-CG2 4.45Å; F603-V615 HydrophobicContact CG-CG2 3.79Å; I611-V615 HydrophobicContact CG2-CG2 4.2Å; I611-V615 WeakPolarHBondContact O-CB 3.35Å; I611-V615 WeakPolarHBondContact O-CG2 3.31Å; I611-V615 PolarHBondContact O-N 3.3Å; R612-V615 PolarHBondContact O-N 3.3Å; V615-R617 PolarHBondContact O-N 3.27Å; V615-R617 VanDerWaalsContact O-N 3.16Å; V615-G618 PolarHBondContact O-N 3.37Å; V615-G618 VanDerWaalsContact O-N 3.13Å
616	L	95.1	Very high	93.7	Very high	66 Å²	66	79 Å²	79	35%	0.346	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.1	176.7	-67.5	173.4	0	0	0	114	P571 F574 K575 R612	P571-L616 HydrophobicContact CB-CD2 4.16Å; F574-L616 HydrophobicContact CB-CD2 4.28Å; F574-L616 HydrophobicContact CB-CG 4.5Å; K575-L616 HydrophobicContact CG-CD2 3.84Å; R612-L616 HydrophobicContact CG-CD1 3.71Å; R612-L616 HydrophobicContact CG-CG 4.32Å; R612-L616 VanDerWaalsContact O-CB 3.32Å; R612-L616 WeakPolarHBondContact O-CB 3.36Å; R612-L616 VanDerWaalsContact O-CG 3.23Å; R612-L616 WeakPolarHBondContact O-CG 3.34Å; R612-L616 PolarHBondContact O-N 2.9Å
617	R	94.7	Very high	94.1	Very high	167 Å²	167	71.8 Å²	71.8	63%	0.63	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-21.2	174	-77.3	173	-176.8	173.8	3	113.6	T613 Q614 V615 L619	T613-R617 VanDerWaalsContact O-CD 3.25Å; T613-R617 WeakPolarHBondContact O-CD 3.46Å; T613-R617 WeakPolarHBondContact O-CG 2.95Å; Q614-R617 WeakPolarHBondContact O-CB 3.1Å; Q614-R617 PolarHBondContact O-N 2.81Å; Q614-R617 VanDerWaalsContact O-N 3.08Å; V615-R617 PolarHBondContact O-N 3.27Å; V615-R617 VanDerWaalsContact O-N 3.16Å; R617-L619 HydrophobicContact CB-CD1 4.42Å; R617-L619 HydrophobicContact CB-CG 4.21Å; R617-L619 PolarHBondContact O-N 2.75Å; R617-L619 VanDerWaalsContact O-N 3.1Å
618	G	92.6	Very high	94.3	Very high	23 Å²	23	74.5 Å²	74.5	24%	0.237	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	8.5	-177.4	0	0	0	0	0	116.2	Q614 V615 V620	Q614-G618 PolarHBondContact O-N 2.75Å; Q614-G618 VanDerWaalsContact O-N 3.1Å; V615-G618 PolarHBondContact O-N 3.37Å; V615-G618 VanDerWaalsContact O-N 3.13Å; G618-V620 VanDerWaalsContact C-N 3.32Å; G618-V620 PolarHBondContact O-N 2.92Å
619	L	91.9	Very high	94.6	Very high	138 Å²	138	72.2 Å²	72.2	72%	0.723	36%	0.359	S	S	*	.			trans	-81.6	71.8	-171.8	-66.5	179.6	0	0	0	112.7	R617	R617-L619 HydrophobicContact CB-CD1 4.42Å; R617-L619 HydrophobicContact CB-CG 4.21Å; R617-L619 PolarHBondContact O-N 2.75Å; R617-L619 VanDerWaalsContact O-N 3.1Å
620	V	94.4	Very high	94.9	Very high	23 Å²	23	70.4 Å²	70.4	14%	0.139	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-68.1	139	173.6	-175.6	0	0	0	0	110.9	Y594 P602 F603 G618 F622 L638	Y594-V620 HydrophobicContact CD2-CG1 3.9Å; Y594-V620 HydrophobicContact CE2-CG1 3.63Å; P602-V620 HydrophobicContact CB-CG1 3.87Å; P602-V620 HydrophobicContact CB-CG2 4.19Å; F603-V620 HydrophobicContact CE1-CG2 3.57Å; F603-V620 HydrophobicContact CE2-CG2 4.48Å; F603-V620 HydrophobicContact CZ-CG2 3.52Å; G618-V620 VanDerWaalsContact C-N 3.32Å; G618-V620 PolarHBondContact O-N 2.92Å; V620-F622 HydrophobicContact CB-CE2 3.74Å; V620-F622 HydrophobicContact CB-CZ 3.87Å; V620-F622 HydrophobicContact CG1-CD1 4.5Å; V620-F622 HydrophobicContact CG1-CD2 4.28Å; V620-F622 HydrophobicContact CG1-CE1 3.97Å; V620-F622 HydrophobicContact CG1-CE2 3.71Å; V620-F622 HydrophobicContact CG1-CZ 3.54Å; V620-L638 HydrophobicContact CG2-CB 4.43Å; V620-L638 HydrophobicContact CG2-CD1 3.8Å
621	R	94.1	Very high	95.1	Very high	210 Å²	210	69 Å²	69	79%	0.792	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-99.6	124.6	171.8	-70.5	-178.3	174.6	176.6	-0.4	110.6	Y594	Y594-R621 VanDerWaalsContact CE2-O 3.26Å; Y594-R621 WeakPolarHBondContact CE2-O 3.42Å; Y594-R621 PolarHBondContact OH-O 3.36Å
622	F	95.4	Very high	95.3	Very high	44 Å²	44	73.1 Å²	73.1	19%	0.193	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-101.6	125	178.3	-63.8	-84.9	0	0	0	110.6	V620 L626 E631 I634 R635	V620-F622 HydrophobicContact CB-CE2 3.74Å; V620-F622 HydrophobicContact CB-CZ 3.87Å; V620-F622 HydrophobicContact CG1-CD1 4.5Å; V620-F622 HydrophobicContact CG1-CD2 4.28Å; V620-F622 HydrophobicContact CG1-CE1 3.97Å; V620-F622 HydrophobicContact CG1-CE2 3.71Å; V620-F622 HydrophobicContact CG1-CZ 3.54Å; F622-L626 HydrophobicContact CB-CD1 4.44Å; F622-L626 HydrophobicContact CD1-CD1 3.93Å; F622-E631 HydrophobicContact CB-CG 4.25Å; F622-E631 WeakPolarHBondContact CB-OE2 3.19Å; F622-E631 HydrophobicContact CD1-CB 4.19Å; F622-E631 HydrophobicContact CD1-CG 3.71Å; F622-E631 HydrophobicContact CD2-CG 4.2Å; F622-E631 HydrophobicContact CE1-CG 4.07Å; F622-E631 HydrophobicContact CG-CG 3.77Å; F622-E631 WeakPolarHBondContact CG-OE2 3.34Å; F622-E631 HydrophobicContact CZ-CG 4.47Å; F622-I634 HydrophobicContact CE1-CB 3.96Å; F622-I634 HydrophobicContact CE1-CD1 4.49Å; F622-I634 HydrophobicContact CE1-CG2 3.7Å; F622-I634 HydrophobicContact CZ-CG2 4.08Å; F622-R635 HydrophobicContact CE2-CG 3.85Å; F622-R635 HydrophobicContact CZ-CG 3.6Å
623	P	94	Very high	95.5	Very high	32 Å²	32	70 Å²	70	21%	0.208	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-68.9	145.7	172.5	-22	34.7	0	0	0	112.6	Y625 L626	P623-Y625 HydrophobicContact CB-CD1 3.67Å; P623-Y625 HydrophobicContact CB-CD2 4.3Å; P623-Y625 HydrophobicContact CB-CE1 3.28Å; P623-Y625 HydrophobicContact CB-CE2 3.96Å; P623-Y625 HydrophobicContact CB-CG 4.17Å; P623-Y625 VanDerWaalsContact CB-CZ 3.44Å; P623-Y625 HydrophobicContact CG-CE1 4Å; P623-Y625 HydrophobicContact CG-CE2 4.31Å; P623-Y625 PolarHBondContact O-N 3.05Å; P623-L626 PolarHBondContact O-N 3.03Å; P623-L626 VanDerWaalsContact O-N 3.09Å
624	F	93.5	Very high	95.7	Very high	190 Å²	190	67 Å²	67	83%	0.833	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-9.9	-177.6	69	-94.3	0	0	0	115.4
625	Y	93.4	Very high	95.8	Very high	126 Å²	126	68.7 Å²	68.7	49%	0.494	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-8.2	178.2	58.9	-110.2	0	0	0	113.3	P623	P623-Y625 HydrophobicContact CB-CD1 3.67Å; P623-Y625 HydrophobicContact CB-CD2 4.3Å; P623-Y625 HydrophobicContact CB-CE1 3.28Å; P623-Y625 HydrophobicContact CB-CE2 3.96Å; P623-Y625 HydrophobicContact CB-CG 4.17Å; P623-Y625 VanDerWaalsContact CB-CZ 3.44Å; P623-Y625 HydrophobicContact CG-CE1 4Å; P623-Y625 HydrophobicContact CG-CE2 4.31Å; P623-Y625 PolarHBondContact O-N 3.05Å
626	L	96.3	Very high	95.9	Very high	20 Å²	20	69.1 Å²	69.1	11%	0.105	33%	0.327	C	S	.	.	S	Bend	trans	-74.9	141.4	172.7	-63.6	-177.5	0	0	0	110.5	E502 V597 F622 P623	E502-L626 WeakPolarHBondContact OE1-CA 3.41Å; V597-L626 HydrophobicContact CB-CD2 3.88Å; V597-L626 HydrophobicContact CG2-CD1 4.45Å; V597-L626 HydrophobicContact CG2-CD2 3.53Å; F622-L626 HydrophobicContact CB-CD1 4.44Å; F622-L626 HydrophobicContact CD1-CD1 3.93Å; P623-L626 PolarHBondContact O-N 3.03Å; P623-L626 VanDerWaalsContact O-N 3.09Å
627	S	97.5	Very high	96.1	Very high	36 Å²	36	66 Å²	66	25%	0.252	31%	0.311	S	S	.	.			trans	-66.5	147.7	167.9	69.8	0	0	0	0	110.9	E502 S629 C630 E631	E502-S627 PolarHBondContact OE1-N 3.44Å; E502-S627 PolarHBondContact OE1-OG 3.18Å; E502-S627 WeakPolarHBondContact OE2-CB 3.31Å; E502-S627 PolarHBondContact OE2-OG 2.83Å; S627-S629 PolarHBondContact O-N 2.84Å; S627-S629 PolarHBondContact OG-OG 2.78Å; S627-C630 PolarHBondContact O-N 2.79Å; S627-C630 VanDerWaalsContact O-N 3.12Å; S627-C630 VanDerWaalsContact OG-CB 3.22Å; S627-C630 WeakPolarHBondContact OG-CB 3.14Å; S627-C630 PolarHBondContact OG-N 2.65Å; S627-E631 WeakPolarHBondContact O-CB 3.45Å; S627-E631 PolarHBondContact O-N 3.05Å
628	T	97.3	Very high	96.2	Very high	112 Å²	112	58.3 Å²	58.3	69%	0.687	28%	0.282	S	S	*	.	H	α-helix	trans	-59.6	-29.6	175.2	-42.3	0	0	0	0	111.8	Q632	T628-Q632 VanDerWaalsContact O-CB 3.26Å; T628-Q632 WeakPolarHBondContact O-CB 3.33Å; T628-Q632 PolarHBondContact O-N 3.28Å
629	S	97.8	Very high	96.5	Very high	27 Å²	27	60.4 Å²	60.4	19%	0.189	29%	0.286	C	S	.	.	H	α-helix	trans	-71.6	-40.9	175.7	58.4	0	0	0	0	111.8	S627 Q632 V633 E659	S627-S629 PolarHBondContact O-N 2.84Å; S627-S629 PolarHBondContact OG-OG 2.78Å; S629-Q632 PolarHBondContact O-N 2.68Å; S629-V633 PolarHBondContact O-N 2.86Å; S629-V633 VanDerWaalsContact O-N 3.11Å; S629-E659 WeakPolarHBondContact CB-OE1 3.43Å; S629-E659 PolarHBondContact OG-OE1 2.92Å
630	C	98.4	Very high	96.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-48.2	173.5	-165.3	0	0	0	0	111.7	E502 S627 Q632 V633 I634 W656	E502-C630 WeakPolarHBondContact OE2-CB 3.22Å; S627-C630 PolarHBondContact O-N 2.79Å; S627-C630 VanDerWaalsContact O-N 3.12Å; S627-C630 VanDerWaalsContact OG-CB 3.22Å; S627-C630 WeakPolarHBondContact OG-CB 3.14Å; S627-C630 PolarHBondContact OG-N 2.65Å; C630-Q632 VanDerWaalsContact C-N 3.28Å; C630-Q632 PolarHBondContact O-N 2.64Å; C630-V633 VanDerWaalsContact O-CG1 3.28Å; C630-V633 WeakPolarHBondContact O-CG1 3.16Å; C630-V633 PolarHBondContact O-N 3.18Å; C630-I634 WeakPolarHBondContact O-CG1 3.43Å; C630-I634 PolarHBondContact O-N 3.18Å; C630-W656 VanDerWaalsContact CA-CD1 3.47Å; C630-W656 VanDerWaalsContact CB-CD1 3.5Å; C630-W656 HydrophobicContact CB-CD2 4.44Å; C630-W656 HydrophobicContact CB-CG 4.15Å; C630-W656 VanDerWaalsContact N-CD1 3.33Å
631	E	97.7	Very high	96.8	Very high	43 Å²	43	57.6 Å²	57.6	20%	0.201	27%	0.272	C	S	.	.	H	α-helix	trans	-54.4	-45.1	175.7	175.9	176.7	95.7	0	0	111.3	F622 S627 R635	F622-E631 HydrophobicContact CB-CG 4.25Å; F622-E631 WeakPolarHBondContact CB-OE2 3.19Å; F622-E631 HydrophobicContact CD1-CB 4.19Å; F622-E631 HydrophobicContact CD1-CG 3.71Å; F622-E631 HydrophobicContact CD2-CG 4.2Å; F622-E631 HydrophobicContact CE1-CG 4.07Å; F622-E631 HydrophobicContact CG-CG 3.77Å; F622-E631 WeakPolarHBondContact CG-OE2 3.34Å; F622-E631 HydrophobicContact CZ-CG 4.47Å; S627-E631 WeakPolarHBondContact O-CB 3.45Å; S627-E631 PolarHBondContact O-N 3.05Å; E631-R635 VanDerWaalsContact CD-NH1 3.3Å; E631-R635 VanDerWaalsContact CG-CZ 3.44Å; E631-R635 WeakPolarHBondContact O-CG 3.3Å; E631-R635 PolarHBondContact O-N 3.45Å; E631-R635 IonicContact OE1-CZ 2.68Å; E631-R635 IonicContact OE1-NH1 2.65Å; E631-R635 PolarHBondContact OE1-NH1 3.45Å; E631-R635 IonicContact OE1-NH2 2.61Å; E631-R635 PolarHBondContact OE1-NH2 2.89Å; E631-R635 IonicContact OE2-CZ 3.2Å; E631-R635 IonicContact OE2-NH2 2.87Å; E631-R635 PolarHBondContact OE2-NH2 2.89Å
632	Q	97.5	Very high	96.9	Very high	92 Å²	92	49.2 Å²	49.2	43%	0.43	25%	0.245	S	C	.	.	H	α-helix	trans	-67.4	-44.5	-179.5	-173.6	61.1	17.9	0	0	112.9	T628 S629 C630 I634 R635 C636	T628-Q632 VanDerWaalsContact O-CB 3.26Å; T628-Q632 WeakPolarHBondContact O-CB 3.33Å; T628-Q632 PolarHBondContact O-N 3.28Å; S629-Q632 PolarHBondContact O-N 2.68Å; C630-Q632 VanDerWaalsContact C-N 3.28Å; C630-Q632 PolarHBondContact O-N 2.64Å; Q632-I634 VanDerWaalsContact C-N 3.33Å; Q632-I634 PolarHBondContact O-N 2.99Å; Q632-R635 PolarHBondContact O-N 2.87Å; Q632-C636 PolarHBondContact O-N 2.98Å; Q632-C636 PolarHBondContact O-SG 3.49Å
633	V	98.3	Very high	96.8	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-66.1	-35.8	178.7	66.7	0	0	0	0	111.7	L593 S629 C630 C636 M637 V651 T654 W656	L593-V633 HydrophobicContact CD2-CG1 3.89Å; S629-V633 PolarHBondContact O-N 2.86Å; S629-V633 VanDerWaalsContact O-N 3.11Å; C630-V633 VanDerWaalsContact O-CG1 3.28Å; C630-V633 WeakPolarHBondContact O-CG1 3.16Å; C630-V633 PolarHBondContact O-N 3.18Å; V633-C636 PolarHBondContact O-N 3.36Å; V633-M637 HydrophobicContact CG2-CE 4.2Å; V633-M637 WeakPolarHBondContact O-CG 3.45Å; V633-M637 PolarHBondContact O-N 3.07Å; V633-V651 HydrophobicContact CG2-CG1 3.91Å; V633-T654 HydrophobicContact CB-CG2 4.13Å; V633-T654 HydrophobicContact CG2-CG2 3.83Å; V633-T654 WeakPolarHBondContact CG2-OG1 3.11Å; V633-W656 HydrophobicContact CG1-CB 4Å; V633-W656 HydrophobicContact CG1-CD2 4.19Å; V633-W656 HydrophobicContact CG1-CE3 4.03Å; V633-W656 HydrophobicContact CG1-CG 4.22Å
634	I	98.6	Very high	97	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-45.2	171.8	-64.9	167.1	0	0	0	110.7	L593 Y594 V597 F622 C630 Q632 C636 M637 L638	L593-I634 HydrophobicContact CB-CG1 4.35Å; L593-I634 HydrophobicContact CD2-CD1 4.42Å; L593-I634 HydrophobicContact CD2-CG1 3.68Å; L593-I634 HydrophobicContact CG-CD1 4.16Å; L593-I634 HydrophobicContact CG-CG1 3.83Å; Y594-I634 HydrophobicContact CD2-CD1 4.46Å; Y594-I634 HydrophobicContact CD2-CG2 4.33Å; V597-I634 HydrophobicContact CG2-CD1 4.09Å; F622-I634 HydrophobicContact CE1-CB 3.96Å; F622-I634 HydrophobicContact CE1-CD1 4.49Å; F622-I634 HydrophobicContact CE1-CG2 3.7Å; F622-I634 HydrophobicContact CZ-CG2 4.08Å; C630-I634 WeakPolarHBondContact O-CG1 3.43Å; C630-I634 PolarHBondContact O-N 3.18Å; Q632-I634 VanDerWaalsContact C-N 3.33Å; Q632-I634 PolarHBondContact O-N 2.99Å; I634-C636 VanDerWaalsContact C-N 3.31Å; I634-C636 PolarHBondContact O-N 2.91Å; I634-M637 PolarHBondContact O-N 3.42Å; I634-L638 HydrophobicContact CG2-CD1 3.71Å; I634-L638 HydrophobicContact CG2-CG 4.25Å; I634-L638 WeakPolarHBondContact O-CB 3.33Å; I634-L638 PolarHBondContact O-N 3.07Å
635	R	97.7	Very high	97.2	Very high	93 Å²	93	50.4 Å²	50.4	35%	0.351	25%	0.246	S	C	.	.	H	α-helix	trans	-59.3	-39.3	176	-77.8	-173.5	-174.3	124.7	9.8	112.9	F622 E631 Q632 M637 L638 Q639	F622-R635 HydrophobicContact CE2-CG 3.85Å; F622-R635 HydrophobicContact CZ-CG 3.6Å; E631-R635 VanDerWaalsContact CD-NH1 3.3Å; E631-R635 VanDerWaalsContact CG-CZ 3.44Å; E631-R635 WeakPolarHBondContact O-CG 3.3Å; E631-R635 PolarHBondContact O-N 3.45Å; E631-R635 IonicContact OE1-CZ 2.68Å; E631-R635 IonicContact OE1-NH1 2.65Å; E631-R635 PolarHBondContact OE1-NH1 3.45Å; E631-R635 IonicContact OE1-NH2 2.61Å; E631-R635 PolarHBondContact OE1-NH2 2.89Å; E631-R635 IonicContact OE2-CZ 3.2Å; E631-R635 IonicContact OE2-NH2 2.87Å; E631-R635 PolarHBondContact OE2-NH2 2.89Å; Q632-R635 PolarHBondContact O-N 2.87Å; R635-M637 VanDerWaalsContact C-N 3.32Å; R635-M637 PolarHBondContact O-N 3.15Å; R635-L638 CarbonylContact O-C 2.99Å; R635-L638 PolarHBondContact O-N 3.35Å; R635-Q639 PolarHBondContact O-N 3.45Å; R635-Q639 PolarHBondContact O-NE2 3.18Å
636	C	97.8	Very high	97.4	Very high	8 Å²	8	48.1 Å²	48.1	5%	0.054	24%	0.237	C	C	.	.	H	α-helix	trans	-69.3	-27.9	179.2	-67.6	0	0	0	0	113.4	Q632 V633 I634 Y646	Q632-C636 PolarHBondContact O-N 2.98Å; Q632-C636 PolarHBondContact O-SG 3.49Å; V633-C636 PolarHBondContact O-N 3.36Å; I634-C636 VanDerWaalsContact C-N 3.31Å; I634-C636 PolarHBondContact O-N 2.91Å; C636-Y646 HydrophobicContact CB-CD1 3.75Å; C636-Y646 HydrophobicContact CB-CD2 3.59Å; C636-Y646 HydrophobicContact CB-CE1 3.91Å; C636-Y646 HydrophobicContact CB-CE2 3.76Å; C636-Y646 HydrophobicContact CB-CG 3.6Å; C636-Y646 PolarHBondContact O-N 2.88Å
637	M	98.6	Very high	97.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-85.3	-30.3	173.7	-65.3	-173.5	-69.8	0	0	113.3	F509 V586 L589 L593 V633 I634 R635 Q639 R645 V651	F509-M637 HydrophobicContact CE1-CE 3.93Å; F509-M637 HydrophobicContact CE1-SD 4.04Å; F509-M637 HydrophobicContact CZ-CE 3.69Å; F509-M637 HydrophobicContact CZ-SD 3.69Å; V586-M637 HydrophobicContact CG1-CB 3.98Å; V586-M637 HydrophobicContact CG1-CG 3.7Å; V586-M637 HydrophobicContact CG1-SD 4.22Å; L589-M637 HydrophobicContact CB-SD 4.49Å; L593-M637 HydrophobicContact CB-CE 4.1Å; L593-M637 HydrophobicContact CD2-CE 3.55Å; L593-M637 HydrophobicContact CG-CE 4.45Å; V633-M637 HydrophobicContact CG2-CE 4.2Å; V633-M637 WeakPolarHBondContact O-CG 3.45Å; V633-M637 PolarHBondContact O-N 3.07Å; I634-M637 PolarHBondContact O-N 3.42Å; R635-M637 VanDerWaalsContact C-N 3.32Å; R635-M637 PolarHBondContact O-N 3.15Å; M637-Q639 VanDerWaalsContact C-N 3.32Å; M637-Q639 PolarHBondContact O-N 2.97Å; M637-R645 VanDerWaalsContact O-CD 3.28Å; M637-R645 WeakPolarHBondContact O-CD 3.49Å; M637-R645 VanDerWaalsContact O-CG 3.23Å; M637-R645 WeakPolarHBondContact O-CG 3.14Å; M637-V651 HydrophobicContact CG-CG1 4.47Å; M637-V651 HydrophobicContact CG-CG2 3.74Å; M637-V651 HydrophobicContact SD-CG1 3.82Å; M637-V651 HydrophobicContact SD-CG2 3.98Å
638	L	98.2	Very high	97.4	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.037	23%	0.234	C	C	.	.	S	Bend	trans	-94.9	33.4	178.1	-62	-177.5	0	0	0	113	W587 V591 P602 F603 V620 I634 R635	W587-L638 HydrophobicContact CD2-CD2 3.71Å; W587-L638 HydrophobicContact CE3-CB 4.41Å; W587-L638 HydrophobicContact CE3-CD2 3.92Å; W587-L638 HydrophobicContact CG-CD2 4.16Å; W587-L638 HydrophobicContact CH2-CD2 4.42Å; W587-L638 HydrophobicContact CZ2-CD2 4.22Å; W587-L638 VanDerWaalsContact CZ3-C 3.48Å; W587-L638 HydrophobicContact CZ3-CB 4.19Å; W587-L638 HydrophobicContact CZ3-CD2 4.27Å; W587-L638 WeakPolarHBondContact CZ3-O 3.32Å; W587-L638 WeakPolarHBondContact O-CD2 3.39Å; V591-L638 HydrophobicContact CG2-CD2 3.87Å; P602-L638 HydrophobicContact CB-CD1 4.24Å; P602-L638 HydrophobicContact CG-CD1 4.27Å; F603-L638 HydrophobicContact CE2-CD1 4.33Å; F603-L638 HydrophobicContact CE2-CD2 4.36Å; F603-L638 HydrophobicContact CZ-CD1 4.31Å; V620-L638 HydrophobicContact CG2-CB 4.43Å; V620-L638 HydrophobicContact CG2-CD1 3.8Å; I634-L638 HydrophobicContact CG2-CD1 3.71Å; I634-L638 HydrophobicContact CG2-CG 4.25Å; I634-L638 WeakPolarHBondContact O-CB 3.33Å; I634-L638 PolarHBondContact O-N 3.07Å; R635-L638 CarbonylContact O-C 2.99Å; R635-L638 PolarHBondContact O-N 3.35Å
639	Q	97.6	Very high	97.3	Very high	66 Å²	66	46.2 Å²	46.2	31%	0.308	21%	0.212	S	C	.	.			trans	-71	127.4	167.2	-69.7	-59	-61.2	0	0	110.5	W587 R635 M637 R644 R645	W587-Q639 WeakPolarHBondContact CZ3-O 3.32Å; R635-Q639 PolarHBondContact O-N 3.45Å; R635-Q639 PolarHBondContact O-NE2 3.18Å; M637-Q639 VanDerWaalsContact C-N 3.32Å; M637-Q639 PolarHBondContact O-N 2.97Å; Q639-R644 HydrophobicContact CB-CB 4.25Å; Q639-R644 HydrophobicContact CG-CB 4.18Å; Q639-R645 HydrophobicContact CB-CB 4.08Å; Q639-R645 HydrophobicContact CB-CG 4.37Å; Q639-R645 PolarHBondContact O-NE 2.99Å; Q639-R645 PolarHBondContact O-NH2 3.37Å; Q639-R645 VanDerWaalsContact O-NH2 3.15Å
640	V	97	Very high	97.3	Very high	44 Å²	44	49.2 Å²	49.2	27%	0.267	22%	0.223	S	C	.	.	S	Bend	trans	-69.9	-37.8	-179.4	175.7	0	0	0	0	111.5	P571 W587 P642	P571-V640 HydrophobicContact CB-CG1 3.98Å; P571-V640 HydrophobicContact CG-CB 4.35Å; P571-V640 HydrophobicContact CG-CG1 4.01Å; P571-V640 HydrophobicContact CG-CG2 4.35Å; W587-V640 HydrophobicContact CH2-CG2 4.35Å; W587-V640 HydrophobicContact CZ3-CG2 4.32Å; V640-P642 WeakPolarHBondContact O-CD 3.37Å
641	D	95.6	Very high	97.3	Very high	58 Å²	58	49.2 Å²	49.2	31%	0.31	22%	0.223	S	C	.	.	S	Bend	trans	-72.9	116	166.7	177.7	-7.1	0	0	0	109	I643 R644 R645	D641-I643 VanDerWaalsContact C-N 3.26Å; D641-I643 PolarHBondContact O-N 3Å; D641-I643 WeakPolarHBondContact OD1-CB 3.47Å; D641-I643 PolarHBondContact OD1-N 3.02Å; D641-R644 HydrophobicContact CB-CB 4.27Å; D641-R644 HydrophobicContact CB-CG 4.2Å; D641-R644 PolarHBondContact O-N 3.1Å; D641-R644 VanDerWaalsContact OD2-CD 3.23Å; D641-R644 WeakPolarHBondContact OD2-CD 3.38Å; D641-R644 WeakPolarHBondContact OD2-CG 3.44Å; D641-R644 IonicContact OD2-CZ 2.75Å; D641-R644 IonicContact OD2-NE 3.13Å; D641-R644 PolarHBondContact OD2-NE 2.86Å; D641-R645 PolarHBondContact O-N 2.87Å
642	P	96	Very high	97.2	Very high	34 Å²	34	47.6 Å²	47.6	22%	0.221	22%	0.216	C	C	.	.	S	Bend	trans	-61.9	-31.9	179.3	-22	34	0	0	0	113.1	E572 L583 V640 R644 R645	E572-P642 HydrophobicContact CG-CG 4.49Å; L583-P642 HydrophobicContact CD1-CB 4.25Å; V640-P642 WeakPolarHBondContact O-CD 3.37Å; P642-R644 VanDerWaalsContact C-N 3.26Å; P642-R644 PolarHBondContact O-N 3.31Å; P642-R645 WeakPolarHBondContact O-CB 3.4Å; P642-R645 PolarHBondContact O-N 3.05Å
643	I	94.6	Very high	97.2	Very high	111 Å²	111	48 Å²	48	57%	0.569	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-30.9	-176.8	-55.8	176.4	0	0	0	110.6	D641 Q1931	D641-I643 VanDerWaalsContact C-N 3.26Å; D641-I643 PolarHBondContact O-N 3Å; D641-I643 WeakPolarHBondContact OD1-CB 3.47Å; D641-I643 PolarHBondContact OD1-N 3.02Å; I643-Q1931 WeakPolarHBondContact CD1-O 3.35Å
644	R	96.7	Very high	97.2	Very high	176 Å²	176	48.9 Å²	48.9	66%	0.664	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.6	174.6	-64	175.4	-164	-123.3	-9.3	113.6	Q639 D641 P642	Q639-R644 HydrophobicContact CB-CB 4.25Å; Q639-R644 HydrophobicContact CG-CB 4.18Å; D641-R644 HydrophobicContact CB-CB 4.27Å; D641-R644 HydrophobicContact CB-CG 4.2Å; D641-R644 PolarHBondContact O-N 3.1Å; D641-R644 VanDerWaalsContact OD2-CD 3.23Å; D641-R644 WeakPolarHBondContact OD2-CD 3.38Å; D641-R644 WeakPolarHBondContact OD2-CG 3.44Å; D641-R644 IonicContact OD2-CZ 2.75Å; D641-R644 IonicContact OD2-NE 3.13Å; D641-R644 PolarHBondContact OD2-NE 2.86Å; P642-R644 VanDerWaalsContact C-N 3.26Å; P642-R644 PolarHBondContact O-N 3.31Å
645	R	98	Very high	97.1	Very high	4 Å²	4	52 Å²	52	2%	0.015	26%	0.257	C	S	.	.	S	Bend	trans	-75.8	131.2	-177.2	-159.7	-179.1	-60.3	151.8	5.6	109.5	E572 L583 M637 Q639 D641 P642 K647	E572-R645 IonicContact OE1-CZ 2.69Å; E572-R645 IonicContact OE1-NH1 3.28Å; E572-R645 PolarHBondContact OE1-NH1 3.01Å; E572-R645 IonicContact OE1-NH2 3.31Å; E572-R645 PolarHBondContact OE1-NH2 3.15Å; E572-R645 IonicContact OE2-CZ 3.79Å; E572-R645 IonicContact OE2-NH1 2.63Å; E572-R645 IonicContact OE2-NH2 2.78Å; E572-R645 PolarHBondContact OE2-NH2 3.32Å; L583-R645 HydrophobicContact CD2-CB 4.45Å; L583-R645 WeakPolarHBondContact O-CD 3.46Å; L583-R645 PolarHBondContact O-NH1 3.33Å; M637-R645 VanDerWaalsContact O-CD 3.28Å; M637-R645 WeakPolarHBondContact O-CD 3.49Å; M637-R645 VanDerWaalsContact O-CG 3.23Å; M637-R645 WeakPolarHBondContact O-CG 3.14Å; Q639-R645 HydrophobicContact CB-CB 4.08Å; Q639-R645 HydrophobicContact CB-CG 4.37Å; Q639-R645 PolarHBondContact O-NE 2.99Å; Q639-R645 PolarHBondContact O-NH2 3.37Å; Q639-R645 VanDerWaalsContact O-NH2 3.15Å; D641-R645 PolarHBondContact O-N 2.87Å; P642-R645 WeakPolarHBondContact O-CB 3.4Å; P642-R645 PolarHBondContact O-N 3.05Å; R645-K647 PolarHBondContact O-N 3.23Å
646	Y	97.7	Very high	97.2	Very high	79 Å²	79	47.7 Å²	47.7	31%	0.31	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-64	135	-177.8	-83.8	21.5	0	0	0	111.4	V586 C636 Q650 T654	V586-Y646 WeakPolarHBondContact CG1-O 3.18Å; C636-Y646 HydrophobicContact CB-CD1 3.75Å; C636-Y646 HydrophobicContact CB-CD2 3.59Å; C636-Y646 HydrophobicContact CB-CE1 3.91Å; C636-Y646 HydrophobicContact CB-CE2 3.76Å; C636-Y646 HydrophobicContact CB-CG 3.6Å; C636-Y646 PolarHBondContact O-N 2.88Å; Y646-Q650 HydrophobicContact CD2-CB 3.63Å; Y646-Q650 HydrophobicContact CE2-CB 4.24Å; Y646-Q650 HydrophobicContact CG-CB 3.79Å; Y646-T654 HydrophobicContact CD2-CG2 4.2Å; Y646-T654 HydrophobicContact CE2-CG2 3.91Å
647	K	96.8	Very high	97.2	Very high	62 Å²	62	47.3 Å²	47.3	27%	0.27	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-72.8	155.7	165.2	-66.7	177.4	177.5	179.8	0	109.2	L583 R645 R649 Q650 V651 S1927	L583-K647 HydrophobicContact CD2-CG 3.92Å; R645-K647 PolarHBondContact O-N 3.23Å; K647-R649 PolarHBondContact O-N 2.77Å; K647-Q650 WeakPolarHBondContact O-CA 3.44Å; K647-Q650 WeakPolarHBondContact O-CB 3.4Å; K647-Q650 PolarHBondContact O-N 3.41Å; K647-V651 PolarHBondContact O-N 3.3Å; K647-S1927 PolarHBondContact NZ-OG 3.44Å
648	L	97.1	Very high	97.2	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-52.8	-37	-172.8	-71	177	0	0	0	113.9	V513 I516 E517 H520 V586 L589 Q650 V651 T652	V513-L648 HydrophobicContact CG1-CD2 4.29Å; V513-L648 HydrophobicContact CG2-CD2 4.46Å; I516-L648 HydrophobicContact CB-CD1 4.29Å; I516-L648 HydrophobicContact CG2-CD1 4.09Å; E517-L648 HydrophobicContact CB-CD1 3.94Å; H520-L648 WeakPolarHBondContact ND1-CD1 3.19Å; V586-L648 HydrophobicContact CG2-CD2 3.76Å; V586-L648 HydrophobicContact CG2-CG 3.91Å; L589-L648 HydrophobicContact CD1-CD2 3.71Å; L648-Q650 PolarHBondContact O-N 2.84Å; L648-V651 WeakPolarHBondContact O-CB 3.49Å; L648-V651 PolarHBondContact O-N 2.55Å; L648-V651 VanDerWaalsContact O-N 3.17Å; L648-T652 WeakPolarHBondContact O-CG2 3.41Å; L648-T652 PolarHBondContact O-N 3.31Å
649	R	95.1	Very high	97.1	Very high	60 Å²	60	54.6 Å²	54.6	23%	0.226	27%	0.272	C	S	.	.	H	α-helix	trans	-57.5	-45.8	173.8	-67.3	-74.2	164.5	163.6	-8.3	112.4	E517 K647 T652 T653 N671 Q674	E517-R649 IonicContact OE1-CZ 2.68Å; E517-R649 IonicContact OE1-NE 2.64Å; E517-R649 PolarHBondContact OE1-NE 3.3Å; E517-R649 IonicContact OE1-NH2 2.86Å; E517-R649 PolarHBondContact OE1-NH2 3.19Å; K647-R649 PolarHBondContact O-N 2.77Å; R649-T652 PolarHBondContact O-N 2.62Å; R649-T652 PolarHBondContact O-OG1 3.04Å; R649-T653 PolarHBondContact O-N 3.35Å; R649-N671 PolarHBondContact NH1-OD1 3.45Å; R649-Q674 VanDerWaalsContact NH2-OE1 3.12Å
650	Q	97.4	Very high	97	Very high	89 Å²	89	52 Å²	52	42%	0.416	26%	0.261	S	S	.	.	H	α-helix	trans	-68.7	-32.6	176.1	-62.4	166.8	-54.2	0	0	112.2	Y646 K647 L648 T653 T654	Y646-Q650 HydrophobicContact CD2-CB 3.63Å; Y646-Q650 HydrophobicContact CE2-CB 4.24Å; Y646-Q650 HydrophobicContact CG-CB 3.79Å; K647-Q650 WeakPolarHBondContact O-CA 3.44Å; K647-Q650 WeakPolarHBondContact O-CB 3.4Å; K647-Q650 PolarHBondContact O-N 3.41Å; L648-Q650 PolarHBondContact O-N 2.84Å; Q650-T653 PolarHBondContact O-N 3.2Å; Q650-T653 PolarHBondContact O-OG1 2.79Å; Q650-T653 VanDerWaalsContact O-OG1 3.1Å; Q650-T654 WeakPolarHBondContact O-CG2 3.37Å
651	V	98.4	Very high	97	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-47.7	171.4	178.7	0	0	0	0	109.9	F509 V586 V633 M637 K647 L648 T653 T654 M657	F509-V651 HydrophobicContact CE1-CG1 4.14Å; V586-V651 HydrophobicContact CG1-CG2 4.32Å; V633-V651 HydrophobicContact CG2-CG1 3.91Å; M637-V651 HydrophobicContact CG-CG1 4.47Å; M637-V651 HydrophobicContact CG-CG2 3.74Å; M637-V651 HydrophobicContact SD-CG1 3.82Å; M637-V651 HydrophobicContact SD-CG2 3.98Å; K647-V651 PolarHBondContact O-N 3.3Å; L648-V651 WeakPolarHBondContact O-CB 3.49Å; L648-V651 PolarHBondContact O-N 2.55Å; L648-V651 VanDerWaalsContact O-N 3.17Å; V651-T653 VanDerWaalsContact C-N 3.29Å; V651-T653 PolarHBondContact O-N 3.02Å; V651-T654 WeakPolarHBondContact O-CB 3.48Å; V651-T654 PolarHBondContact O-N 2.79Å; V651-T654 PolarHBondContact O-OG1 3.27Å; V651-M657 VanDerWaalsContact O-CG 3.32Å; V651-M657 WeakPolarHBondContact O-CG 3.27Å
652	T	97.4	Very high	97	Very high	9 Å²	9	54.8 Å²	54.8	6%	0.055	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-28.1	-178.6	58.8	0	0	0	0	114.5	W510 V513 L648 R649 M657 Q658 M670	W510-T652 HydrophobicContact CE3-CG2 4.24Å; W510-T652 HydrophobicContact CH2-CG2 3.87Å; W510-T652 HydrophobicContact CZ3-CG2 3.52Å; V513-T652 HydrophobicContact CG1-CG2 3.55Å; L648-T652 WeakPolarHBondContact O-CG2 3.41Å; L648-T652 PolarHBondContact O-N 3.31Å; R649-T652 PolarHBondContact O-N 2.62Å; R649-T652 PolarHBondContact O-OG1 3.04Å; T652-M657 WeakPolarHBondContact O-CB 3.29Å; T652-Q658 PolarHBondContact O-NE2 2.96Å; T652-M670 HydrophobicContact CG2-CE 4.04Å; T652-M670 HydrophobicContact CG2-SD 4.07Å
653	T	96.8	Very high	97.1	Very high	101 Å²	101	53.3 Å²	53.3	62%	0.62	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.7	178	54.6	0	0	0	0	114.1	R649 Q650 V651	R649-T653 PolarHBondContact O-N 3.35Å; Q650-T653 PolarHBondContact O-N 3.2Å; Q650-T653 PolarHBondContact O-OG1 2.79Å; Q650-T653 VanDerWaalsContact O-OG1 3.1Å; V651-T653 VanDerWaalsContact C-N 3.29Å; V651-T653 PolarHBondContact O-N 3.02Å
654	T	98	Very high	97.2	Very high	19 Å²	19	53.7 Å²	53.7	12%	0.117	27%	0.269	C	S	.	.	S	Bend	trans	-61.5	146.8	175.8	60.1	0	0	0	0	112.3	V633 Y646 Q650 V651 W656 M657 Q658	V633-T654 HydrophobicContact CB-CG2 4.13Å; V633-T654 HydrophobicContact CG2-CG2 3.83Å; V633-T654 WeakPolarHBondContact CG2-OG1 3.11Å; Y646-T654 HydrophobicContact CD2-CG2 4.2Å; Y646-T654 HydrophobicContact CE2-CG2 3.91Å; Q650-T654 WeakPolarHBondContact O-CG2 3.37Å; V651-T654 WeakPolarHBondContact O-CB 3.48Å; V651-T654 PolarHBondContact O-N 2.79Å; V651-T654 PolarHBondContact O-OG1 3.27Å; T654-W656 VanDerWaalsContact C-N 3.27Å; T654-W656 PolarHBondContact O-N 2.99Å; T654-M657 PolarHBondContact O-N 3.01Å; T654-M657 WeakPolarHBondContact OG1-CG 3.48Å; T654-Q658 PolarHBondContact O-N 3.37Å
655	A	97.6	Very high	97.2	Very high	67 Å²	67	50.9 Å²	50.9	55%	0.554	26%	0.263	S	S	*	.	H	α-helix	trans	-50.5	-46.1	-179.6	0	0	0	0	0	112.4	M657 Q658 E659	A655-M657 VanDerWaalsContact C-N 3.28Å; A655-M657 PolarHBondContact O-N 3.25Å; A655-Q658 CarbonylContact O-C 3.6Å; A655-Q658 WeakPolarHBondContact O-CA 3.16Å; A655-Q658 PolarHBondContact O-N 3.44Å; A655-E659 WeakPolarHBondContact O-CG 3.33Å; A655-E659 PolarHBondContact O-N 3.28Å
656	W	98.4	Very high	97.2	Very high	1 Å²	1	51 Å²	51	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-33.1	179.3	-169.4	84.3	0	0	0	113.8	E502 A505 R506 F509 L593 C630 V633 T654 E659	E502-W656 HydrophobicContact CB-CZ2 4.07Å; E502-W656 HydrophobicContact CG-CZ2 4.47Å; E502-W656 WeakPolarHBondContact O-CZ2 3.42Å; E502-W656 PolarHBondContact OE2-NE1 3.29Å; A505-W656 HydrophobicContact CB-CH2 4.39Å; R506-W656 HydrophobicContact CB-CE3 4.49Å; R506-W656 HydrophobicContact CB-CH2 3.56Å; R506-W656 HydrophobicContact CB-CZ2 3.84Å; R506-W656 HydrophobicContact CB-CZ3 3.91Å; R506-W656 WeakPolarHBondContact CD-O 3.44Å; R506-W656 HydrophobicContact CG-CE3 4.3Å; R506-W656 HydrophobicContact CG-CH2 4.23Å; R506-W656 HydrophobicContact CG-CZ3 4.08Å; R506-W656 PolarHBondContact NE-O 3.1Å; F509-W656 HydrophobicContact CB-CZ3 4.46Å; F509-W656 HydrophobicContact CD1-CZ3 4.31Å; L593-W656 HydrophobicContact CD1-CH2 3.45Å; L593-W656 VanDerWaalsContact CD1-CH2 3.45Å; L593-W656 HydrophobicContact CD1-CZ2 4.21Å; L593-W656 HydrophobicContact CD1-CZ3 3.86Å; L593-W656 HydrophobicContact CD2-CE3 4.48Å; L593-W656 HydrophobicContact CD2-CH2 4.36Å; L593-W656 HydrophobicContact CD2-CZ3 4.04Å; C630-W656 VanDerWaalsContact CA-CD1 3.47Å; C630-W656 VanDerWaalsContact CB-CD1 3.5Å; C630-W656 HydrophobicContact CB-CD2 4.44Å; C630-W656 HydrophobicContact CB-CG 4.15Å; C630-W656 VanDerWaalsContact N-CD1 3.33Å; V633-W656 HydrophobicContact CG1-CB 4Å; V633-W656 HydrophobicContact CG1-CD2 4.19Å; V633-W656 HydrophobicContact CG1-CE3 4.03Å; V633-W656 HydrophobicContact CG1-CG 4.22Å; T654-W656 VanDerWaalsContact C-N 3.27Å; T654-W656 PolarHBondContact O-N 2.99Å; W656-E659 WeakPolarHBondContact CA-OE1 3.26Å
657	M	98.2	Very high	97.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-75	-37.8	173.6	-69.5	-65.5	-81.6	0	0	111.2	F509 W510 V513 V651 T652 T654 A655 E659 S660 V663	F509-M657 HydrophobicContact CD1-CE 4.03Å; F509-M657 HydrophobicContact CD1-SD 3.8Å; F509-M657 HydrophobicContact CE1-SD 4.45Å; W510-M657 HydrophobicContact CB-CE 4.48Å; W510-M657 HydrophobicContact CD2-CE 3.52Å; W510-M657 HydrophobicContact CE3-CE 3.95Å; W510-M657 HydrophobicContact CG-CE 3.73Å; W510-M657 HydrophobicContact CZ2-CB 3.98Å; W510-M657 HydrophobicContact CZ2-CE 4.27Å; W510-M657 PolarHBondContact NE1-O 3.41Å; V513-M657 HydrophobicContact CG2-CE 4.3Å; V651-M657 VanDerWaalsContact O-CG 3.32Å; V651-M657 WeakPolarHBondContact O-CG 3.27Å; T652-M657 WeakPolarHBondContact O-CB 3.29Å; T654-M657 PolarHBondContact O-N 3.01Å; T654-M657 WeakPolarHBondContact OG1-CG 3.48Å; A655-M657 VanDerWaalsContact C-N 3.28Å; A655-M657 PolarHBondContact O-N 3.25Å; M657-E659 VanDerWaalsContact C-N 3.25Å; M657-E659 PolarHBondContact O-N 2.88Å; M657-S660 PolarHBondContact O-N 3.48Å; M657-V663 WeakPolarHBondContact O-CG2 3.35Å
658	Q	97.6	Very high	97.1	Very high	72 Å²	72	51.3 Å²	51.3	34%	0.336	28%	0.277	S	S	.	.	H	α-helix	trans	-70.2	-15.8	175.7	-60.8	-56.5	-79.7	0	0	113.7	T652 T654 A655 S660	T652-Q658 PolarHBondContact O-NE2 2.96Å; T654-Q658 PolarHBondContact O-N 3.37Å; A655-Q658 CarbonylContact O-C 3.6Å; A655-Q658 WeakPolarHBondContact O-CA 3.16Å; A655-Q658 PolarHBondContact O-N 3.44Å; Q658-S660 PolarHBondContact O-N 3.44Å; Q658-S660 VanDerWaalsContact O-N 3.16Å
659	E	97	Very high	97.1	Very high	89 Å²	89	52 Å²	52	42%	0.416	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	14.6	171.4	-68	170.3	-131.4	0	0	114.2	R506 S629 A655 W656 M657	R506-E659 VanDerWaalsContact CZ-CB 3.41Å; R506-E659 IonicContact CZ-OE2 2.7Å; R506-E659 VanDerWaalsContact CZ-OE2 3.31Å; R506-E659 PolarHBondContact NH1-O 3.41Å; R506-E659 IonicContact NH1-OE2 3.18Å; R506-E659 PolarHBondContact NH1-OE2 2.94Å; R506-E659 IonicContact NH2-OE2 3.37Å; R506-E659 PolarHBondContact NH2-OE2 3.37Å; S629-E659 WeakPolarHBondContact CB-OE1 3.43Å; S629-E659 PolarHBondContact OG-OE1 2.92Å; A655-E659 WeakPolarHBondContact O-CG 3.33Å; A655-E659 PolarHBondContact O-N 3.28Å; W656-E659 WeakPolarHBondContact CA-OE1 3.26Å; M657-E659 VanDerWaalsContact C-N 3.25Å; M657-E659 PolarHBondContact O-N 2.88Å
660	S	96.3	Very high	97.1	Very high	11 Å²	11	49.5 Å²	49.5	8%	0.077	27%	0.271	C	S	.	.			trans	-89	141	172.3	159.8	0	0	0	0	110.6	E507 M657 Q658 N662 V663	E507-S660 VanDerWaalsContact OE1-CB 3.32Å; E507-S660 WeakPolarHBondContact OE1-CB 3.17Å; E507-S660 PolarHBondContact OE1-OG 3.26Å; M657-S660 PolarHBondContact O-N 3.48Å; Q658-S660 PolarHBondContact O-N 3.44Å; Q658-S660 VanDerWaalsContact O-N 3.16Å; S660-N662 PolarHBondContact O-N 3.02Å; S660-N662 PolarHBondContact OG-N 3.2Å; S660-V663 WeakPolarHBondContact O-CG2 3.39Å
661	P	96.1	Very high	97.1	Very high	93 Å²	93	49.1 Å²	49.1	60%	0.604	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-7.7	171.7	31.4	-37.1	0	0	0	113.6
662	N	96.5	Very high	96.9	Very high	67 Å²	67	55.6 Å²	55.6	36%	0.358	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	15.7	-173.1	-65.3	-44.4	0	0	0	112.7	E507 S660 E664 H665 Y666	E507-N662 PolarHBondContact OE2-ND2 2.98Å; S660-N662 PolarHBondContact O-N 3.02Å; S660-N662 PolarHBondContact OG-N 3.2Å; N662-E664 VanDerWaalsContact C-N 3.33Å; N662-E664 PolarHBondContact O-N 3.09Å; N662-H665 WeakPolarHBondContact O-CB 3.47Å; N662-H665 PolarHBondContact O-N 3.4Å; N662-H665 VanDerWaalsContact O-N 3.1Å; N662-Y666 HydrophobicContact CB-CD2 3.9Å; N662-Y666 HydrophobicContact CB-CE2 3.49Å; N662-Y666 VanDerWaalsContact CB-CE2 3.49Å; N662-Y666 WeakPolarHBondContact O-CD2 3.5Å; N662-Y666 PolarHBondContact O-N 3.16Å
663	V	97	Very high	96.9	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.018	31%	0.305	C	S	.	.	H	α-helix	trans	-55.7	-44.5	-173.2	170	0	0	0	0	112.4	W510 M657 S660 H665 Y666 K667	W510-V663 HydrophobicContact CZ2-CG1 4.12Å; W510-V663 HydrophobicContact CZ2-CG2 4.07Å; M657-V663 WeakPolarHBondContact O-CG2 3.35Å; S660-V663 WeakPolarHBondContact O-CG2 3.39Å; V663-H665 VanDerWaalsContact C-N 3.32Å; V663-H665 PolarHBondContact O-N 3.05Å; V663-Y666 PolarHBondContact O-N 3.43Å; V663-K667 HydrophobicContact CG1-CD 3.76Å; V663-K667 HydrophobicContact CG1-CG 4.17Å; V663-K667 WeakPolarHBondContact O-CB 3.42Å; V663-K667 WeakPolarHBondContact O-CG 3.31Å; V663-K667 PolarHBondContact O-N 2.94Å
664	E	96.5	Very high	96.7	Very high	120 Å²	120	53.6 Å²	53.6	56%	0.561	28%	0.282	S	S	*	.	H	α-helix	trans	-67.3	-34.7	-178.8	-77.6	48.9	-114.8	0	0	111.5	N662 K667 S668	N662-E664 VanDerWaalsContact C-N 3.33Å; N662-E664 PolarHBondContact O-N 3.09Å; E664-K667 IonicContact OE1-NZ 2.96Å; E664-K667 PolarHBondContact OE1-NZ 2.69Å; E664-S668 WeakPolarHBondContact O-CB 3.17Å; E664-S668 PolarHBondContact O-N 2.63Å
665	H	96.7	Very high	96.4	Very high	117 Å²	117	59 Å²	59	54%	0.542	30%	0.303	S	S	.	.	H	α-helix	trans	-63.5	-47.9	170.9	176.8	85.7	0	0	0	111	N662 V663 S668 L669	N662-H665 WeakPolarHBondContact O-CB 3.47Å; N662-H665 PolarHBondContact O-N 3.4Å; N662-H665 VanDerWaalsContact O-N 3.1Å; V663-H665 VanDerWaalsContact C-N 3.32Å; V663-H665 PolarHBondContact O-N 3.05Å; H665-S668 PolarHBondContact O-N 3.18Å; H665-L669 VanDerWaalsContact O-CB 3.29Å; H665-L669 WeakPolarHBondContact O-CB 3.36Å; H665-L669 PolarHBondContact O-N 3.47Å
666	Y	97.7	Very high	96.2	Very high	7 Å²	7	58.6 Å²	58.6	3%	0.027	29%	0.29	C	S	.	.	H	α-helix	trans	-68.9	-38.2	179.4	-63.6	-55	0	0	0	113.1	E507 W510 Q511 N662 V663 L669 M670	E507-Y666 PolarHBondContact O-OH 3.35Å; E507-Y666 WeakPolarHBondContact OE2-CE2 3.16Å; E507-Y666 PolarHBondContact OE2-OH 3.49Å; W510-Y666 HydrophobicContact CB-CD1 4.04Å; W510-Y666 HydrophobicContact CB-CD2 3.46Å; W510-Y666 VanDerWaalsContact CB-CD2 3.46Å; W510-Y666 HydrophobicContact CB-CE1 4.13Å; W510-Y666 HydrophobicContact CB-CE2 3.54Å; W510-Y666 HydrophobicContact CB-CG 3.73Å; W510-Y666 AromaticContact CD1-CD2 3.79Å; W510-Y666 AromaticContact CD2-CD2 3.74Å; W510-Y666 HydrophobicContact CD2-CD2 3.74Å; W510-Y666 AromaticContact CD2-CG 3.95Å; W510-Y666 HydrophobicContact CD2-CG 3.95Å; W510-Y666 HydrophobicContact CE3-CD2 4.28Å; W510-Y666 HydrophobicContact CE3-CG 4.02Å; W510-Y666 AromaticContact CG-CD2 3.38Å; W510-Y666 HydrophobicContact CG-CD2 3.38Å; W510-Y666 AromaticContact CG-CE2 3.8Å; W510-Y666 HydrophobicContact CG-CE2 3.8Å; W510-Y666 AromaticContact CG-CG 3.88Å; W510-Y666 HydrophobicContact CG-CG 3.88Å; Q511-Y666 HydrophobicContact CG-CE1 3.81Å; N662-Y666 HydrophobicContact CB-CD2 3.9Å; N662-Y666 HydrophobicContact CB-CE2 3.49Å; N662-Y666 VanDerWaalsContact CB-CE2 3.49Å; N662-Y666 WeakPolarHBondContact O-CD2 3.5Å; N662-Y666 PolarHBondContact O-N 3.16Å; V663-Y666 PolarHBondContact O-N 3.43Å; Y666-L669 PolarHBondContact O-N 3.44Å; Y666-M670 VanDerWaalsContact O-CB 3.24Å; Y666-M670 WeakPolarHBondContact O-CB 3.4Å; Y666-M670 PolarHBondContact O-N 3.12Å
667	K	96.5	Very high	95.8	Very high	69 Å²	69	58.6 Å²	58.6	30%	0.3	29%	0.29	S	S	.	.	H	α-helix	trans	-58.2	-48.7	170.8	-75.3	170.3	-178.9	158.4	0	111	V663 E664 M670 N671	V663-K667 HydrophobicContact CG1-CD 3.76Å; V663-K667 HydrophobicContact CG1-CG 4.17Å; V663-K667 WeakPolarHBondContact O-CB 3.42Å; V663-K667 WeakPolarHBondContact O-CG 3.31Å; V663-K667 PolarHBondContact O-N 2.94Å; E664-K667 IonicContact OE1-NZ 2.96Å; E664-K667 PolarHBondContact OE1-NZ 2.69Å; K667-M670 PolarHBondContact O-N 2.73Å; K667-N671 WeakPolarHBondContact O-CB 3.4Å; K667-N671 PolarHBondContact O-N 3.4Å
668	S	97.2	Very high	95.4	Very high	78 Å²	78	62.8 Å²	62.8	55%	0.545	31%	0.309	S	S	.	.	H	α-helix	trans	-61.6	-45.7	177.2	-179.2	0	0	0	0	111.8	E664 H665 M670 N671 K672	E664-S668 WeakPolarHBondContact O-CB 3.17Å; E664-S668 PolarHBondContact O-N 2.63Å; H665-S668 PolarHBondContact O-N 3.18Å; S668-M670 PolarHBondContact O-N 3.11Å; S668-N671 PolarHBondContact O-N 3.28Å; S668-K672 WeakPolarHBondContact O-CB 3.34Å; S668-K672 PolarHBondContact O-N 2.88Å
669	L	96.6	Very high	95	Very high	21 Å²	21	63.9 Å²	63.9	11%	0.11	31%	0.313	C	S	.	.	H	α-helix	trans	-58.9	-48.7	176.5	-169.9	70.1	0	0	0	111.7	P463 C514 H665 Y666 K672 Y673	P463-L669 HydrophobicContact CG-CD1 4.16Å; P463-L669 HydrophobicContact CG-CD2 4.32Å; C514-L669 HydrophobicContact CB-CD2 4.38Å; H665-L669 VanDerWaalsContact O-CB 3.29Å; H665-L669 WeakPolarHBondContact O-CB 3.36Å; H665-L669 PolarHBondContact O-N 3.47Å; Y666-L669 PolarHBondContact O-N 3.44Å; L669-K672 PolarHBondContact O-N 3.1Å; L669-Y673 HydrophobicContact CD1-CD2 3.93Å; L669-Y673 HydrophobicContact CD1-CE2 3.7Å; L669-Y673 HydrophobicContact CG-CD2 4.18Å; L669-Y673 HydrophobicContact CG-CE2 4.41Å; L669-Y673 WeakPolarHBondContact O-CD2 3.2Å; L669-Y673 PolarHBondContact O-N 3.16Å
670	M	95.7	Very high	94.4	Very high	7 Å²	7	62.4 Å²	62.4	3%	0.034	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-45.7	-179.9	-169.9	168.8	66.6	0	0	111.8	E517 T652 Y666 K667 S668 Y673 Q674	E517-M670 HydrophobicContact CB-CG 4.25Å; E517-M670 HydrophobicContact CB-SD 4.2Å; E517-M670 HydrophobicContact CG-CG 3.67Å; E517-M670 HydrophobicContact CG-SD 3.9Å; T652-M670 HydrophobicContact CG2-CE 4.04Å; T652-M670 HydrophobicContact CG2-SD 4.07Å; Y666-M670 VanDerWaalsContact O-CB 3.24Å; Y666-M670 WeakPolarHBondContact O-CB 3.4Å; Y666-M670 PolarHBondContact O-N 3.12Å; K667-M670 PolarHBondContact O-N 2.73Å; S668-M670 PolarHBondContact O-N 3.11Å; M670-Y673 PolarHBondContact O-N 2.81Å; M670-Q674 WeakPolarHBondContact O-CB 3.38Å; M670-Q674 PolarHBondContact O-N 1.93Å
671	N	96.1	Very high	93.7	Very high	80 Å²	80	65.2 Å²	65.2	43%	0.428	32%	0.316	S	S	.	.	H	α-helix	trans	-66.9	-40.6	178	-71.5	-14.6	0	0	0	112.3	R649 K667 S668 Y673 Q674 K675	R649-N671 PolarHBondContact NH1-OD1 3.45Å; K667-N671 WeakPolarHBondContact O-CB 3.4Å; K667-N671 PolarHBondContact O-N 3.4Å; S668-N671 PolarHBondContact O-N 3.28Å; N671-Y673 PolarHBondContact O-N 3Å; N671-Q674 PolarHBondContact O-N 3.07Å; N671-K675 PolarHBondContact O-N 3.01Å
672	K	96	Very high	93.1	Very high	137 Å²	137	67.5 Å²	67.5	60%	0.596	32%	0.317	S	S	*	.	H	α-helix	trans	-57.7	-46.4	174.4	174.1	177.5	-177.8	168.7	0	112.1	S668 L669 Q676	S668-K672 WeakPolarHBondContact O-CB 3.34Å; S668-K672 PolarHBondContact O-N 2.88Å; L669-K672 PolarHBondContact O-N 3.1Å; K672-Q676 PolarHBondContact O-N 2.77Å; K672-Q676 VanDerWaalsContact O-N 3.12Å
673	Y	95.9	Very high	92.4	Very high	41 Å²	41	66.3 Å²	66.3	16%	0.161	31%	0.309	C	S	.	.	H	α-helix	trans	-76.6	-31.3	179.9	-82.1	-72.9	0	0	0	113	Q461 H462 P463 F518 L669 M670 N671 Q676 A677	Q461-Y673 VanDerWaalsContact O-CE1 3.26Å; Q461-Y673 WeakPolarHBondContact O-CE1 3.49Å; H462-Y673 AromaticContact CD2-CD1 3.91Å; H462-Y673 AromaticContact CD2-CD2 3.51Å; H462-Y673 AromaticContact CD2-CE2 3.89Å; H462-Y673 AromaticContact CD2-CG 3.54Å; H462-Y673 AromaticContact NE2-CD2 3.86Å; P463-Y673 WeakPolarHBondContact CD-OH 3.49Å; P463-Y673 HydrophobicContact CG-CE2 4.19Å; F518-Y673 HydrophobicContact CD2-CD1 4.13Å; F518-Y673 HydrophobicContact CD2-CG 4.38Å; F518-Y673 WeakPolarHBondContact CD2-O 3.27Å; F518-Y673 HydrophobicContact CE2-CD1 4.01Å; F518-Y673 HydrophobicContact CG-CD1 4.44Å; F518-Y673 HydrophobicContact CZ-CD1 4.2Å; L669-Y673 HydrophobicContact CD1-CD2 3.93Å; L669-Y673 HydrophobicContact CD1-CE2 3.7Å; L669-Y673 HydrophobicContact CG-CD2 4.18Å; L669-Y673 HydrophobicContact CG-CE2 4.41Å; L669-Y673 WeakPolarHBondContact O-CD2 3.2Å; L669-Y673 PolarHBondContact O-N 3.16Å; M670-Y673 PolarHBondContact O-N 2.81Å; N671-Y673 PolarHBondContact O-N 3Å; Y673-Q676 PolarHBondContact O-N 3.28Å; Y673-A677 WeakPolarHBondContact O-CB 3.38Å; Y673-A677 PolarHBondContact O-N 2.99Å
674	Q	92.5	Very high	91.6	Very high	27 Å²	27	69.4 Å²	69.4	13%	0.126	33%	0.328	C	S	.	.	H	α-helix	trans	-64	-42.3	169.5	-164.8	-167.2	40	0	0	112	E517 A521 R649 M670 N671 Q676 A677 K678	E517-Q674 PolarHBondContact OE1-NE2 2.9Å; A521-Q674 HydrophobicContact CB-CG 3.99Å; R649-Q674 VanDerWaalsContact NH2-OE1 3.12Å; M670-Q674 WeakPolarHBondContact O-CB 3.38Å; M670-Q674 PolarHBondContact O-N 1.93Å; N671-Q674 PolarHBondContact O-N 3.07Å; Q674-Q676 PolarHBondContact O-N 2.92Å; Q674-A677 PolarHBondContact O-N 3.23Å; Q674-K678 WeakPolarHBondContact O-CG 3.44Å; Q674-K678 PolarHBondContact O-N 3.23Å
675	K	92.9	Very high	90.9	Very high	132 Å²	132	68.3 Å²	68.3	57%	0.574	33%	0.325	S	S	*	.	H	α-helix	trans	-58.1	-49.2	173.1	-167.3	-169	178	-172.8	0	110.3	N671 A677 K678 E679	N671-K675 PolarHBondContact O-N 3.01Å; K675-A677 VanDerWaalsContact C-N 3.28Å; K675-A677 PolarHBondContact O-N 2.81Å; K675-K678 PolarHBondContact O-N 3.49Å; K675-E679 WeakPolarHBondContact CD-OE1 3.44Å; K675-E679 WeakPolarHBondContact CE-OE1 3.47Å; K675-E679 HydrophobicContact CG-CG 4.44Å; K675-E679 WeakPolarHBondContact CG-OE1 3.34Å; K675-E679 IonicContact NZ-OE1 3.92Å; K675-E679 VanDerWaalsContact O-CG 3.32Å; K675-E679 WeakPolarHBondContact O-CG 3.37Å; K675-E679 PolarHBondContact O-N 3.37Å
676	Q	92.1	Very high	90.2	Very high	58 Å²	58	65.3 Å²	65.3	27%	0.271	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-31.5	177.6	174.8	161	85.7	0	0	113.8	K672 Y673 Q674 R680	K672-Q676 PolarHBondContact O-N 2.77Å; K672-Q676 VanDerWaalsContact O-N 3.12Å; Y673-Q676 PolarHBondContact O-N 3.28Å; Q674-Q676 PolarHBondContact O-N 2.92Å; Q676-R680 WeakPolarHBondContact O-CD 3.33Å; Q676-R680 VanDerWaalsContact O-CG 3.25Å; Q676-R680 WeakPolarHBondContact O-CG 3.35Å; Q676-R680 PolarHBondContact O-N 3.45Å; Q676-R680 VanDerWaalsContact OE1-NH2 3.11Å
677	A	91.8	Very high	89.2	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-69.8	-47.5	174.7	0	0	0	0	0	111.2	F518 A521 Y673 Q674 K675 R680 Q681	F518-A677 HydrophobicContact CD2-CB 4.11Å; F518-A677 HydrophobicContact CE2-CB 4.07Å; A521-A677 HydrophobicContact CB-CB 3.88Å; A521-A677 WeakPolarHBondContact O-CB 3.22Å; Y673-A677 WeakPolarHBondContact O-CB 3.38Å; Y673-A677 PolarHBondContact O-N 2.99Å; Q674-A677 PolarHBondContact O-N 3.23Å; K675-A677 VanDerWaalsContact C-N 3.28Å; K675-A677 PolarHBondContact O-N 2.81Å; A677-R680 PolarHBondContact O-N 2.88Å; A677-Q681 PolarHBondContact O-N 3.4Å
678	K	89.5	Confident	88.4	Confident	89 Å²	89	72.7 Å²	72.7	39%	0.387	34%	0.343	S	S	.	.	H	α-helix	trans	-59.9	-45.4	175.7	-70.7	177.5	175.4	-179.2	0	112.5	Q674 K675 R680 Q681 F682	Q674-K678 WeakPolarHBondContact O-CG 3.44Å; Q674-K678 PolarHBondContact O-N 3.23Å; K675-K678 PolarHBondContact O-N 3.49Å; K678-R680 VanDerWaalsContact C-N 3.26Å; K678-R680 PolarHBondContact O-N 3.22Å; K678-Q681 PolarHBondContact O-N 2.99Å; K678-F682 PolarHBondContact O-N 3.25Å
679	E	87.9	Confident	87.7	Confident	94 Å²	94	75.3 Å²	75.3	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-53	-43.4	174.1	-75.7	167.2	-173.2	0	0	111.8	K675 E683	K675-E679 WeakPolarHBondContact CD-OE1 3.44Å; K675-E679 WeakPolarHBondContact CE-OE1 3.47Å; K675-E679 HydrophobicContact CG-CG 4.44Å; K675-E679 WeakPolarHBondContact CG-OE1 3.34Å; K675-E679 IonicContact NZ-OE1 3.92Å; K675-E679 VanDerWaalsContact O-CG 3.32Å; K675-E679 WeakPolarHBondContact O-CG 3.37Å; K675-E679 PolarHBondContact O-N 3.37Å; E679-E683 WeakPolarHBondContact O-CB 3.44Å; E679-E683 PolarHBondContact O-N 2.79Å
680	R	84.8	Confident	87.1	Confident	59 Å²	59	77.8 Å²	77.8	22%	0.223	36%	0.357	C	S	.	.	H	α-helix	trans	-74.8	-35.9	179.7	-68.4	172.3	-172.2	-170.2	10.6	112.8	R459 Q676 A677 K678 V684	R459-R680 PolarHBondContact O-NH1 2.98Å; Q676-R680 WeakPolarHBondContact O-CD 3.33Å; Q676-R680 VanDerWaalsContact O-CG 3.25Å; Q676-R680 WeakPolarHBondContact O-CG 3.35Å; Q676-R680 PolarHBondContact O-N 3.45Å; Q676-R680 VanDerWaalsContact OE1-NH2 3.11Å; A677-R680 PolarHBondContact O-N 2.88Å; K678-R680 VanDerWaalsContact C-N 3.26Å; K678-R680 PolarHBondContact O-N 3.22Å; R680-V684 WeakPolarHBondContact O-CB 3.26Å; R680-V684 VanDerWaalsContact O-CG2 3.26Å; R680-V684 WeakPolarHBondContact O-CG2 3.07Å; R680-V684 PolarHBondContact O-N 3.2Å
681	Q	82.7	Confident	86.2	Confident	70 Å²	70	81.4 Å²	81.4	33%	0.327	38%	0.381	S	S	.	.	H	α-helix	trans	-63.1	-44.2	172.5	-74.3	175.9	-29.8	0	0	110.7	A521 A677 K678 V684 L685	A521-Q681 PolarHBondContact O-NE2 3.38Å; A521-Q681 VanDerWaalsContact O-NE2 3.1Å; A521-Q681 PolarHBondContact O-OE1 3.35Å; A677-Q681 PolarHBondContact O-N 3.4Å; K678-Q681 PolarHBondContact O-N 2.99Å; Q681-V684 PolarHBondContact O-N 3.4Å; Q681-L685 WeakPolarHBondContact O-CB 3.39Å; Q681-L685 WeakPolarHBondContact O-CG 3.32Å; Q681-L685 PolarHBondContact O-N 3.47Å
682	F	83.7	Confident	85.6	Confident	140 Å²	140	82.8 Å²	82.8	61%	0.614	39%	0.385	S	S	*	.	H	α-helix	trans	-61.7	-48.4	175.2	-174.2	-93.5	0	0	0	112	K678 V684 L685 F686	K678-F682 PolarHBondContact O-N 3.25Å; F682-V684 VanDerWaalsContact C-N 3.27Å; F682-V684 PolarHBondContact O-N 3.08Å; F682-L685 PolarHBondContact O-N 3.15Å; F682-L685 VanDerWaalsContact O-N 3.17Å; F682-F686 HydrophobicContact CE1-CB 4.42Å; F682-F686 VanDerWaalsContact O-CB 3.31Å; F682-F686 WeakPolarHBondContact O-CB 3.4Å; F682-F686 PolarHBondContact O-N 3.01Å
683	E	80.7	Confident	84.6	Confident	43 Å²	43	80.1 Å²	80.1	20%	0.201	38%	0.375	C	S	.	.	H	α-helix	trans	-59.9	-35.2	176.3	177.4	64	-176.8	0	0	112.5	E679 R687	E679-E683 WeakPolarHBondContact O-CB 3.44Å; E679-E683 PolarHBondContact O-N 2.79Å; E683-R687 WeakPolarHBondContact O-CB 3.45Å; E683-R687 WeakPolarHBondContact O-CG 3.43Å; E683-R687 PolarHBondContact O-N 3.08Å; E683-R687 IonicContact OE1-CZ 3.71Å; E683-R687 IonicContact OE1-NE 2.96Å; E683-R687 PolarHBondContact OE1-NE 2.96Å; E683-R687 IonicContact OE1-NH2 2.63Å; E683-R687 PolarHBondContact OE1-NH2 3Å
684	V	79.5	Confident	83.5	Confident	67 Å²	67	78.9 Å²	78.9	41%	0.406	37%	0.372	S	S	.	.	H	α-helix	trans	-69.1	-47.7	173.5	168	0	0	0	0	111.1	R680 Q681 F682 R687 H688	R680-V684 WeakPolarHBondContact O-CB 3.26Å; R680-V684 VanDerWaalsContact O-CG2 3.26Å; R680-V684 WeakPolarHBondContact O-CG2 3.07Å; R680-V684 PolarHBondContact O-N 3.2Å; Q681-V684 PolarHBondContact O-N 3.4Å; F682-V684 VanDerWaalsContact C-N 3.27Å; F682-V684 PolarHBondContact O-N 3.08Å; V684-R687 PolarHBondContact O-N 2.99Å; V684-H688 PolarHBondContact O-N 3.09Å; V684-H688 PolarHBondContact O-ND1 3.06Å
685	L	81.6	Confident	82.8	Confident	97 Å²	97	84.3 Å²	84.3	51%	0.508	40%	0.395	S	S	.	.	H	α-helix	trans	-62.6	-47.6	179.4	-72.8	167.9	0	0	0	111.6	Q681 F682 R687 H688 Q689	Q681-L685 WeakPolarHBondContact O-CB 3.39Å; Q681-L685 WeakPolarHBondContact O-CG 3.32Å; Q681-L685 PolarHBondContact O-N 3.47Å; F682-L685 PolarHBondContact O-N 3.15Å; F682-L685 VanDerWaalsContact O-N 3.17Å; L685-R687 VanDerWaalsContact C-N 3.31Å; L685-R687 PolarHBondContact O-N 3.38Å; L685-H688 PolarHBondContact O-N 3.38Å; L685-Q689 WeakPolarHBondContact O-CG 3.31Å; L685-Q689 PolarHBondContact O-N 2.84Å
686	F	82.5	Confident	81.9	Confident	54 Å²	54	83 Å²	83	24%	0.237	39%	0.393	C	S	.	.	H	α-helix	trans	-57.1	-42.5	176.9	-175.4	-94.7	0	0	0	111.8	F682 H688 Q689 H690 H693 A697	F682-F686 HydrophobicContact CE1-CB 4.42Å; F682-F686 VanDerWaalsContact O-CB 3.31Å; F682-F686 WeakPolarHBondContact O-CB 3.4Å; F682-F686 PolarHBondContact O-N 3.01Å; F686-H688 VanDerWaalsContact C-N 3.28Å; F686-H688 PolarHBondContact O-N 3.44Å; F686-Q689 PolarHBondContact O-N 3.02Å; F686-H690 AromaticContact CD2-CD2 3.83Å; F686-H690 HydrophobicContact CE1-CB 4.38Å; F686-H690 HydrophobicContact CE2-CB 4.33Å; F686-H690 AromaticContact CE2-CD2 3.65Å; F686-H690 HydrophobicContact CZ-CB 4.17Å; F686-H690 WeakPolarHBondContact O-CA 3.18Å; F686-H690 WeakPolarHBondContact O-CB 3.21Å; F686-H690 PolarHBondContact O-N 2.7Å; F686-H693 HydrophobicContact CE1-CB 3.92Å; F686-H693 HydrophobicContact CZ-CB 3.81Å; F686-A697 HydrophobicContact CD1-CB 4.19Å; F686-A697 HydrophobicContact CE1-CB 3.89Å
687	R	77.3	Confident	81	Confident	81 Å²	81	80.9 Å²	80.9	31%	0.306	39%	0.386	S	S	.	.	H	α-helix	trans	-66.4	-23.3	176.1	-75.7	177.2	-177	-160	3.9	114.6	E683 V684 L685	E683-R687 WeakPolarHBondContact O-CB 3.45Å; E683-R687 WeakPolarHBondContact O-CG 3.43Å; E683-R687 PolarHBondContact O-N 3.08Å; E683-R687 IonicContact OE1-CZ 3.71Å; E683-R687 IonicContact OE1-NE 2.96Å; E683-R687 PolarHBondContact OE1-NE 2.96Å; E683-R687 IonicContact OE1-NH2 2.63Å; E683-R687 PolarHBondContact OE1-NH2 3Å; V684-R687 PolarHBondContact O-N 2.99Å; L685-R687 VanDerWaalsContact C-N 3.31Å; L685-R687 PolarHBondContact O-N 3.38Å
688	H	79.5	Confident	80.1	Confident	150 Å²	150	83.3 Å²	83.3	69%	0.694	40%	0.396	S	S	*	.	H	α-helix	trans	-88.7	-37.7	175.4	-73.3	84.7	0	0	0	112.2	V684 L685 F686	V684-H688 PolarHBondContact O-N 3.09Å; V684-H688 PolarHBondContact O-ND1 3.06Å; L685-H688 PolarHBondContact O-N 3.38Å; F686-H688 VanDerWaalsContact C-N 3.28Å; F686-H688 PolarHBondContact O-N 3.44Å
689	Q	82.2	Confident	79.5	Confident	133 Å²	133	81.7 Å²	81.7	62%	0.621	39%	0.39	S	S	*	.	H	α-helix	trans	-74.8	-33.9	177.9	-70.5	174.5	-22.8	0	0	112.5	L685 F686 P691	L685-Q689 WeakPolarHBondContact O-CG 3.31Å; L685-Q689 PolarHBondContact O-N 2.84Å; F686-Q689 PolarHBondContact O-N 3.02Å; Q689-P691 VanDerWaalsContact C-CD 3.49Å; Q689-P691 WeakPolarHBondContact O-CD 3.35Å
690	H	83.7	Confident	78.9	Confident	73 Å²	73	81.6 Å²	81.6	34%	0.338	39%	0.389	S	S	.	.			trans	-126.3	66.9	-176.6	-65.2	-64.1	0	0	0	112.6	F686 E692 H693 S694	F686-H690 AromaticContact CD2-CD2 3.83Å; F686-H690 HydrophobicContact CE1-CB 4.38Å; F686-H690 HydrophobicContact CE2-CB 4.33Å; F686-H690 AromaticContact CE2-CD2 3.65Å; F686-H690 HydrophobicContact CZ-CB 4.17Å; F686-H690 WeakPolarHBondContact O-CA 3.18Å; F686-H690 WeakPolarHBondContact O-CB 3.21Å; F686-H690 PolarHBondContact O-N 2.7Å; H690-E692 WeakPolarHBondContact CA-OE1 3.37Å; H690-E692 VanDerWaalsContact CB-OE1 3.32Å; H690-E692 WeakPolarHBondContact CB-OE1 3.29Å; H690-E692 IonicContact CG-OE1 3.35Å; H690-E692 IonicContact ND1-OE1 2.71Å; H690-E692 PolarHBondContact ND1-OE1 2.77Å; H690-E692 PolarHBondContact O-N 2.79Å; H690-H693 HydrophobicContact CB-CB 3.99Å; H690-H693 PolarHBondContact O-N 2.61Å; H690-H693 VanDerWaalsContact O-N 3.15Å; H690-S694 PolarHBondContact O-N 3.38Å
691	P	78.3	Confident	78.4	Confident	84 Å²	84	81.2 Å²	81.2	55%	0.545	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.6	-179.5	25.9	-34.7	0	0	0	113.4	Q689 S694	Q689-P691 VanDerWaalsContact C-CD 3.49Å; Q689-P691 WeakPolarHBondContact O-CD 3.35Å; P691-S694 WeakPolarHBondContact O-CB 3.24Å
692	E	81.9	Confident	78	Confident	109 Å²	109	79.4 Å²	79.4	51%	0.509	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-48.1	171.5	65.3	-61	141	0	0	112.8	H690 S694	H690-E692 WeakPolarHBondContact CA-OE1 3.37Å; H690-E692 VanDerWaalsContact CB-OE1 3.32Å; H690-E692 WeakPolarHBondContact CB-OE1 3.29Å; H690-E692 IonicContact CG-OE1 3.35Å; H690-E692 IonicContact ND1-OE1 2.71Å; H690-E692 PolarHBondContact ND1-OE1 2.77Å; H690-E692 PolarHBondContact O-N 2.79Å; E692-S694 VanDerWaalsContact C-N 3.25Å; E692-S694 PolarHBondContact O-N 3.06Å
693	H	75.2	Confident	77.9	Confident	81 Å²	81	75.9 Å²	75.9	38%	0.375	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-18.8	175.6	-66.3	-80.2	0	0	0	113	F686 H690 K695 I696 A697	F686-H693 HydrophobicContact CE1-CB 3.92Å; F686-H693 HydrophobicContact CZ-CB 3.81Å; H690-H693 HydrophobicContact CB-CB 3.99Å; H690-H693 PolarHBondContact O-N 2.61Å; H690-H693 VanDerWaalsContact O-N 3.15Å; H693-K695 PolarHBondContact O-N 3.2Å; H693-I696 PolarHBondContact O-N 2.84Å; H693-A697 PolarHBondContact O-N 3.32Å
694	S	74.3	Confident	77.8	Confident	14 Å²	14	77.7 Å²	77.7	10%	0.098	38%	0.376	C	S	.	.	H	α-helix	trans	-49.1	-27.5	173.8	-164.7	0	0	0	0	113.7	H690 P691 E692 K698	H690-S694 PolarHBondContact O-N 3.38Å; P691-S694 WeakPolarHBondContact O-CB 3.24Å; E692-S694 VanDerWaalsContact C-N 3.25Å; E692-S694 PolarHBondContact O-N 3.06Å; S694-K698 VanDerWaalsContact O-CB 3.23Å; S694-K698 WeakPolarHBondContact O-CB 3.23Å; S694-K698 WeakPolarHBondContact O-CD 3.2Å; S694-K698 WeakPolarHBondContact O-CG 3.39Å; S694-K698 PolarHBondContact O-N 3.48Å; S694-K698 VanDerWaalsContact O-N 3.12Å
695	K	76.1	Confident	77.7	Confident	142 Å²	142	76.6 Å²	76.6	62%	0.617	37%	0.37	S	S	*	.	H	α-helix	trans	-69.6	-45.4	172.9	-73.9	175.3	-177.6	165.4	0	112.9	H693 E699	H693-K695 PolarHBondContact O-N 3.2Å; K695-E699 PolarHBondContact O-N 2.92Å
696	I	75.7	Confident	77.8	Confident	104 Å²	104	75.2 Å²	75.2	53%	0.533	36%	0.361	S	S	.	.	H	α-helix	trans	-72.1	-46.6	-177.9	-58.7	174.8	0	0	0	109.8	H693 K698 E699 E700	H693-I696 PolarHBondContact O-N 2.84Å; I696-K698 VanDerWaalsContact C-N 3.28Å; I696-K698 PolarHBondContact O-N 3.31Å; I696-E699 WeakPolarHBondContact O-CB 3.22Å; I696-E699 PolarHBondContact O-N 3.23Å; I696-E700 PolarHBondContact O-N 3.28Å
697	A	72.3	Confident	78	Confident	14 Å²	14	78.6 Å²	78.6	12%	0.116	37%	0.372	C	S	.	.	H	α-helix	trans	-58.7	-39.3	175	0	0	0	0	0	111.8	F686 H693 V701	F686-A697 HydrophobicContact CD1-CB 4.19Å; F686-A697 HydrophobicContact CE1-CB 3.89Å; H693-A697 PolarHBondContact O-N 3.32Å; A697-V701 VanDerWaalsContact O-CB 3.23Å; A697-V701 WeakPolarHBondContact O-CB 3.32Å; A697-V701 WeakPolarHBondContact O-CG2 3.41Å; A697-V701 PolarHBondContact O-N 3.36Å
698	K	72.3	Confident	78.4	Confident	51 Å²	51	81.1 Å²	81.1	22%	0.222	39%	0.385	C	S	.	.	H	α-helix	trans	-62.3	-46.1	170.7	-77.5	173.6	-169.6	-171.8	0	112.2	S694 I696 E700 V701 L702	S694-K698 VanDerWaalsContact O-CB 3.23Å; S694-K698 WeakPolarHBondContact O-CB 3.23Å; S694-K698 WeakPolarHBondContact O-CD 3.2Å; S694-K698 WeakPolarHBondContact O-CG 3.39Å; S694-K698 PolarHBondContact O-N 3.48Å; S694-K698 VanDerWaalsContact O-N 3.12Å; I696-K698 VanDerWaalsContact C-N 3.28Å; I696-K698 PolarHBondContact O-N 3.31Å; K698-E700 PolarHBondContact O-N 2.91Å; K698-V701 PolarHBondContact O-N 3.28Å; K698-L702 VanDerWaalsContact O-CB 3.31Å; K698-L702 WeakPolarHBondContact O-CB 3.3Å; K698-L702 WeakPolarHBondContact O-CD1 3.49Å; K698-L702 WeakPolarHBondContact O-CG 3.21Å; K698-L702 PolarHBondContact O-N 3.43Å
699	E	77.1	Confident	78.9	Confident	55 Å²	55	74.4 Å²	74.4	26%	0.257	35%	0.354	S	S	.	.	H	α-helix	trans	-57.7	-49.8	179.1	-134.9	150.8	-166.5	0	0	110.5	K695 I696 V701 L702 E703 R1521	K695-E699 PolarHBondContact O-N 2.92Å; I696-E699 WeakPolarHBondContact O-CB 3.22Å; I696-E699 PolarHBondContact O-N 3.23Å; E699-V701 PolarHBondContact O-N 3.26Å; E699-L702 PolarHBondContact O-N 3.39Å; E699-E703 VanDerWaalsContact O-CG 3.3Å; E699-E703 WeakPolarHBondContact O-CG 3.4Å; E699-E703 PolarHBondContact O-N 3.5Å; E699-E703 VanDerWaalsContact O-N 3.08Å; E699-R1521 IonicContact OE1-CZ 3.65Å; E699-R1521 IonicContact OE1-NH1 2.7Å; E699-R1521 PolarHBondContact OE1-NH1 3.18Å; E699-R1521 IonicContact OE1-NH2 3.94Å; E699-R1521 IonicContact OE2-CZ 2.74Å; E699-R1521 IonicContact OE2-NH1 3.03Å; E699-R1521 PolarHBondContact OE2-NH1 2.84Å; E699-R1521 IonicContact OE2-NH2 3.76Å; E699-R1521 PolarHBondContact OE2-NH2 3.44Å
700	E	76.6	Confident	79.4	Confident	92 Å²	92	68.8 Å²	68.8	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-67.4	-34.9	179.3	-159.4	-170.5	141.2	0	0	113.8	I696 K698 R704	I696-E700 PolarHBondContact O-N 3.28Å; K698-E700 PolarHBondContact O-N 2.91Å; E700-R704 PolarHBondContact O-N 3.39Å; E700-R704 IonicContact OE1-CZ 3.71Å; E700-R704 VanDerWaalsContact OE1-CZ 3.25Å; E700-R704 IonicContact OE1-NH1 2.71Å; E700-R704 PolarHBondContact OE1-NH1 3.28Å; E700-R704 IonicContact OE1-NH2 2.67Å; E700-R704 PolarHBondContact OE1-NH2 2.8Å
701	V	73.8	Confident	79.7	Confident	51 Å²	51	68.3 Å²	68.3	31%	0.309	33%	0.328	S	S	.	.	H	α-helix	trans	-73.9	-38.6	175.7	168.6	0	0	0	0	111.6	A697 K698 E699 E703 R704 V705	A697-V701 VanDerWaalsContact O-CB 3.23Å; A697-V701 WeakPolarHBondContact O-CB 3.32Å; A697-V701 WeakPolarHBondContact O-CG2 3.41Å; A697-V701 PolarHBondContact O-N 3.36Å; K698-V701 PolarHBondContact O-N 3.28Å; E699-V701 PolarHBondContact O-N 3.26Å; V701-E703 VanDerWaalsContact C-N 3.3Å; V701-E703 PolarHBondContact O-N 2.69Å; V701-R704 PolarHBondContact O-N 2.84Å; V701-V705 WeakPolarHBondContact O-CB 3.11Å; V701-V705 WeakPolarHBondContact O-CG2 3.25Å; V701-V705 PolarHBondContact O-N 2.83Å
702	L	74.4	Confident	80.3	Confident	32 Å²	32	64.6 Å²	64.6	17%	0.168	31%	0.305	C	S	.	.	H	α-helix	trans	-57.6	-47	172.1	-70.8	164	0	0	0	109.2	K698 E699 V705 E706 I733 Q734	K698-L702 VanDerWaalsContact O-CB 3.31Å; K698-L702 WeakPolarHBondContact O-CB 3.3Å; K698-L702 WeakPolarHBondContact O-CD1 3.49Å; K698-L702 WeakPolarHBondContact O-CG 3.21Å; K698-L702 PolarHBondContact O-N 3.43Å; E699-L702 PolarHBondContact O-N 3.39Å; L702-V705 CarbonylContact O-C 3.59Å; L702-V705 PolarHBondContact O-N 2.82Å; L702-E706 WeakPolarHBondContact O-CB 3.41Å; L702-E706 PolarHBondContact O-N 2.87Å; L702-I733 HydrophobicContact CB-CG2 4.09Å; L702-I733 HydrophobicContact CD2-CB 4.43Å; L702-I733 HydrophobicContact CD2-CG2 3.43Å; L702-I733 VanDerWaalsContact CD2-CG2 3.43Å; L702-I733 HydrophobicContact CG-CG2 4.33Å; L702-Q734 HydrophobicContact CD2-CG 4.2Å
703	E	80.2	Confident	81	Confident	67 Å²	67	59.4 Å²	59.4	31%	0.313	28%	0.281	S	S	.	.	H	α-helix	trans	-65.1	-42.4	178.9	-68.4	169	155.2	0	0	113.3	E699 V701 V705 E706 R707 W1613	E699-E703 VanDerWaalsContact O-CG 3.3Å; E699-E703 WeakPolarHBondContact O-CG 3.4Å; E699-E703 PolarHBondContact O-N 3.5Å; E699-E703 VanDerWaalsContact O-N 3.08Å; V701-E703 VanDerWaalsContact C-N 3.3Å; V701-E703 PolarHBondContact O-N 2.69Å; E703-V705 PolarHBondContact O-N 3.42Å; E703-E706 PolarHBondContact O-N 3.42Å; E703-R707 WeakPolarHBondContact O-CG 3.46Å; E703-R707 PolarHBondContact O-N 3.39Å; E703-W1613 HydrophobicContact CB-CH2 3.81Å; E703-W1613 HydrophobicContact CB-CZ2 4.03Å; E703-W1613 VanDerWaalsContact CD-CZ2 3.4Å; E703-W1613 HydrophobicContact CG-CH2 4.03Å; E703-W1613 HydrophobicContact CG-CZ2 3.8Å; E703-W1613 WeakPolarHBondContact OE1-CZ2 3.4Å; E703-W1613 WeakPolarHBondContact OE2-CH2 3.34Å
704	R	80.2	Confident	81.9	Confident	80 Å²	80	55.5 Å²	55.5	30%	0.302	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-28.2	173	-84.2	-161	-172.2	77.2	-1.2	113.2	E700 V701 K708	E700-R704 PolarHBondContact O-N 3.39Å; E700-R704 IonicContact OE1-CZ 3.71Å; E700-R704 VanDerWaalsContact OE1-CZ 3.25Å; E700-R704 IonicContact OE1-NH1 2.71Å; E700-R704 PolarHBondContact OE1-NH1 3.28Å; E700-R704 IonicContact OE1-NH2 2.67Å; E700-R704 PolarHBondContact OE1-NH2 2.8Å; V701-R704 PolarHBondContact O-N 2.84Å; R704-K708 WeakPolarHBondContact O-CD 3.27Å; R704-K708 WeakPolarHBondContact O-CE 3.37Å; R704-K708 WeakPolarHBondContact O-CG 3.49Å
705	V	77.7	Confident	82.9	Confident	45 Å²	45	58.7 Å²	58.7	27%	0.273	28%	0.275	S	S	.	.	H	α-helix	trans	-86.7	-32.6	177.3	173	0	0	0	0	111.5	V701 L702 E703 K708 L709 I733	V701-V705 WeakPolarHBondContact O-CB 3.11Å; V701-V705 WeakPolarHBondContact O-CG2 3.25Å; V701-V705 PolarHBondContact O-N 2.83Å; L702-V705 CarbonylContact O-C 3.59Å; L702-V705 PolarHBondContact O-N 2.82Å; E703-V705 PolarHBondContact O-N 3.42Å; V705-K708 CarbonylContact O-C 3.51Å; V705-K708 WeakPolarHBondContact O-CA 3.46Å; V705-K708 WeakPolarHBondContact O-CB 3.34Å; V705-K708 PolarHBondContact O-N 3.37Å; V705-L709 PolarHBondContact O-N 3.04Å; V705-I733 HydrophobicContact CB-CG2 3.95Å; V705-I733 HydrophobicContact CG1-CB 4.17Å; V705-I733 HydrophobicContact CG1-CG1 4.31Å; V705-I733 HydrophobicContact CG1-CG2 3.82Å
706	E	83.8	Confident	83.9	Confident	67 Å²	67	52 Å²	52	31%	0.313	25%	0.245	S	C	.	.	H	α-helix	trans	-64.7	-39.9	172.5	-172.3	159.8	-146.1	0	0	111.5	L702 E703 K708 L709 R729 I733	L702-E706 WeakPolarHBondContact O-CB 3.41Å; L702-E706 PolarHBondContact O-N 2.87Å; E703-E706 PolarHBondContact O-N 3.42Å; E706-K708 PolarHBondContact O-N 3.49Å; E706-L709 HydrophobicContact CG-CD1 4.35Å; E706-L709 PolarHBondContact O-N 3.44Å; E706-R729 IonicContact OE1-CZ 2.61Å; E706-R729 IonicContact OE1-NE 3.47Å; E706-R729 PolarHBondContact OE1-NE 2.79Å; E706-R729 IonicContact OE1-NH2 3.07Å; E706-R729 PolarHBondContact OE1-NH2 2.91Å; E706-I733 HydrophobicContact CB-CD1 3.84Å; E706-I733 HydrophobicContact CB-CG1 4.42Å; E706-I733 HydrophobicContact CG-CD1 4.02Å
707	R	85	Confident	84.9	Confident	125 Å²	125	47 Å²	47	47%	0.472	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	8.1	166.8	-69.4	-167.8	-74.1	154.5	-8.2	114.7	E703 K918	E703-R707 WeakPolarHBondContact O-CG 3.46Å; E703-R707 PolarHBondContact O-N 3.39Å; R707-K918 PolarHBondContact O-NZ 3.21Å
708	K	85.6	Confident	86	Confident	134 Å²	134	48.3 Å²	48.3	58%	0.583	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.2	8	173.9	-62.8	172.5	-173.4	177.2	0	112.8	R704 V705 E706	R704-K708 WeakPolarHBondContact O-CD 3.27Å; R704-K708 WeakPolarHBondContact O-CE 3.37Å; R704-K708 WeakPolarHBondContact O-CG 3.49Å; V705-K708 CarbonylContact O-C 3.51Å; V705-K708 WeakPolarHBondContact O-CA 3.46Å; V705-K708 WeakPolarHBondContact O-CB 3.34Å; V705-K708 PolarHBondContact O-N 3.37Å; E706-K708 PolarHBondContact O-N 3.49Å
709	L	90.1	Very high	87.1	Confident	9 Å²	9	54.1 Å²	54.1	5%	0.047	25%	0.249	C	C	.	.	S	Bend	trans	-79.3	141	167.2	-70	177.6	0	0	0	111.5	V705 E706 R729 T732 I733 Y744	V705-L709 PolarHBondContact O-N 3.04Å; E706-L709 HydrophobicContact CG-CD1 4.35Å; E706-L709 PolarHBondContact O-N 3.44Å; L709-R729 HydrophobicContact CD1-CB 4.08Å; L709-R729 HydrophobicContact CD1-CG 3.96Å; L709-T732 HydrophobicContact CD2-CG2 3.52Å; L709-I733 HydrophobicContact CD1-CD1 3.97Å; L709-I733 HydrophobicContact CD1-CG1 3.93Å; L709-I733 HydrophobicContact CG-CG1 4.37Å; L709-Y744 WeakPolarHBondContact CA-OH 3.42Å; L709-Y744 HydrophobicContact CD2-CE1 4.17Å; L709-Y744 HydrophobicContact CD2-CE2 4.14Å
710	D	93	Very high	87.9	Confident	16 Å²	16	55 Å²	55	9%	0.086	25%	0.253	C	S	.	.			trans	-86.8	110.5	168.2	-175.3	-36.9	0	0	0	109.2	G712 V713 V714 Y744 K918 T920	D710-G712 VanDerWaalsContact C-N 3.25Å; D710-G712 PolarHBondContact O-N 3.48Å; D710-G712 VanDerWaalsContact OD1-CA 3.32Å; D710-G712 WeakPolarHBondContact OD1-CA 3.5Å; D710-G712 PolarHBondContact OD1-N 3.08Å; D710-V713 HydrophobicContact CB-CB 3.98Å; D710-V713 HydrophobicContact CB-CG2 3.77Å; D710-V713 VanDerWaalsContact CG-CG2 3.48Å; D710-V713 PolarHBondContact O-N 3.43Å; D710-V713 PolarHBondContact OD1-N 2.94Å; D710-V714 WeakPolarHBondContact O-CG2 3.4Å; D710-V714 PolarHBondContact O-N 2.94Å; D710-V714 VanDerWaalsContact O-N 3.12Å; D710-Y744 PolarHBondContact N-OH 2.68Å; D710-K918 VanDerWaalsContact CA-O 3.27Å; D710-K918 WeakPolarHBondContact CA-O 3Å; D710-K918 WeakPolarHBondContact CB-O 3.48Å; D710-T920 VanDerWaalsContact CG-N 3.33Å; D710-T920 PolarHBondContact OD1-N 3.47Å; D710-T920 VanDerWaalsContact OD1-N 3.15Å; D710-T920 VanDerWaalsContact OD2-CB 3.28Å; D710-T920 WeakPolarHBondContact OD2-CB 3.41Å; D710-T920 PolarHBondContact OD2-N 3.12Å; D710-T920 PolarHBondContact OD2-OG1 3.38Å
711	I	90.6	Very high	88.7	Confident	62 Å²	62	51 Å²	51	32%	0.318	24%	0.236	S	C	.	.	H	α-helix	trans	-69.5	-26.4	-175.7	-60.1	172	0	0	0	111.1	K715 N919	I711-K715 HydrophobicContact CG2-CD 3.88Å; I711-K715 HydrophobicContact CG2-CG 4.46Å; I711-K715 WeakPolarHBondContact O-CB 3.45Å; I711-K715 WeakPolarHBondContact O-CG 3.39Å; I711-K715 PolarHBondContact O-N 2.71Å; I711-N919 WeakPolarHBondContact CB-OD1 3.48Å; I711-N919 WeakPolarHBondContact CG1-OD1 3.5Å; I711-N919 PolarHBondContact N-OD1 3.41Å
712	G	91.8	Very high	89.7	Confident	6 Å²	6	51.8 Å²	51.8	6%	0.062	25%	0.254	C	S	.	.	H	α-helix	trans	-68.3	-44.4	173.4	0	0	0	0	0	112.1	D710 K715 A716 T920	D710-G712 VanDerWaalsContact C-N 3.25Å; D710-G712 PolarHBondContact O-N 3.48Å; D710-G712 VanDerWaalsContact OD1-CA 3.32Å; D710-G712 WeakPolarHBondContact OD1-CA 3.5Å; D710-G712 PolarHBondContact OD1-N 3.08Å; G712-K715 PolarHBondContact O-N 3.35Å; G712-A716 VanDerWaalsContact O-CB 3.31Å; G712-A716 WeakPolarHBondContact O-CB 3.49Å; G712-A716 PolarHBondContact O-N 3.35Å; G712-T920 WeakPolarHBondContact CA-O 3.34Å
713	V	95.3	Very high	90.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-47.1	175.2	175.5	0	0	0	0	111.3	D710 K715 A716 L717 Y744 L747 I751	D710-V713 HydrophobicContact CB-CB 3.98Å; D710-V713 HydrophobicContact CB-CG2 3.77Å; D710-V713 VanDerWaalsContact CG-CG2 3.48Å; D710-V713 PolarHBondContact O-N 3.43Å; D710-V713 PolarHBondContact OD1-N 2.94Å; V713-K715 PolarHBondContact O-N 3.45Å; V713-A716 PolarHBondContact O-N 2.99Å; V713-L717 HydrophobicContact CG1-CD1 4.2Å; V713-L717 WeakPolarHBondContact O-CG 3.36Å; V713-L717 PolarHBondContact O-N 3.44Å; V713-L717 VanDerWaalsContact O-N 3.08Å; V713-Y744 HydrophobicContact CB-CD2 4.24Å; V713-Y744 HydrophobicContact CB-CE2 3.94Å; V713-Y744 HydrophobicContact CG1-CD2 3.49Å; V713-Y744 VanDerWaalsContact CG1-CD2 3.49Å; V713-Y744 HydrophobicContact CG1-CE2 3.65Å; V713-Y744 HydrophobicContact CG1-CG 4.34Å; V713-L747 HydrophobicContact CG1-CB 4.28Å; V713-L747 HydrophobicContact CG1-CD2 4.09Å; V713-L747 HydrophobicContact CG1-CG 4.21Å; V713-I751 HydrophobicContact CG2-CD1 3.53Å
714	V	95.3	Very high	91.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60	-47.3	178.3	175.9	0	0	0	0	110.9	D710 A716 L717 S718 E725 I728 R729 Y744	D710-V714 WeakPolarHBondContact O-CG2 3.4Å; D710-V714 PolarHBondContact O-N 2.94Å; D710-V714 VanDerWaalsContact O-N 3.12Å; V714-A716 PolarHBondContact O-N 3.16Å; V714-L717 PolarHBondContact O-N 2.96Å; V714-S718 WeakPolarHBondContact O-CB 3.33Å; V714-S718 PolarHBondContact O-N 2.86Å; V714-E725 HydrophobicContact CG1-CB 4.26Å; V714-E725 HydrophobicContact CG1-CG 3.59Å; V714-I728 HydrophobicContact CG1-CB 4.35Å; V714-I728 HydrophobicContact CG1-CD1 4.44Å; V714-I728 HydrophobicContact CG1-CG2 4.28Å; V714-I728 HydrophobicContact CG2-CG2 3.97Å; V714-R729 HydrophobicContact CG1-CG 4.47Å; V714-Y744 HydrophobicContact CG2-CD2 4.03Å; V714-Y744 HydrophobicContact CG2-CE2 3.9Å
715	K	95.2	Very high	92.2	Very high	81 Å²	81	50.3 Å²	50.3	35%	0.352	25%	0.253	S	S	.	.	H	α-helix	trans	-69.6	-30.9	179.7	-73.9	173.8	-177.8	171.9	0	113.5	I711 G712 V713 R719 L922	I711-K715 HydrophobicContact CG2-CD 3.88Å; I711-K715 HydrophobicContact CG2-CG 4.46Å; I711-K715 WeakPolarHBondContact O-CB 3.45Å; I711-K715 WeakPolarHBondContact O-CG 3.39Å; I711-K715 PolarHBondContact O-N 2.71Å; G712-K715 PolarHBondContact O-N 3.35Å; V713-K715 PolarHBondContact O-N 3.45Å; K715-R719 WeakPolarHBondContact O-CB 3.21Å; K715-R719 WeakPolarHBondContact O-CG 3.35Å; K715-R719 PolarHBondContact O-N 2.91Å; K715-L922 HydrophobicContact CB-CD1 3.67Å; K715-L922 HydrophobicContact CB-CD2 4.26Å
716	A	96.1	Very high	93	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66	-46.8	173.8	0	0	0	0	0	111.3	G712 V713 V714 S718 R719 E720 L747 L922 A925 I926 L929	G712-A716 VanDerWaalsContact O-CB 3.31Å; G712-A716 WeakPolarHBondContact O-CB 3.49Å; G712-A716 PolarHBondContact O-N 3.35Å; V713-A716 PolarHBondContact O-N 2.99Å; V714-A716 PolarHBondContact O-N 3.16Å; A716-S718 VanDerWaalsContact C-N 3.34Å; A716-S718 PolarHBondContact O-N 2.92Å; A716-R719 PolarHBondContact O-N 2.79Å; A716-E720 WeakPolarHBondContact O-CB 3.39Å; A716-E720 PolarHBondContact O-N 3.2Å; A716-L747 HydrophobicContact CB-CD2 4.3Å; A716-L922 HydrophobicContact CB-CD1 4.02Å; A716-A925 HydrophobicContact CB-CB 3.78Å; A716-I926 HydrophobicContact CB-CG1 3.81Å; A716-L929 HydrophobicContact CB-CD1 4.09Å; A716-L929 WeakPolarHBondContact O-CD1 3.31Å
717	L	96.7	Very high	93.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-39.1	175.6	-70.5	171.5	0	0	0	112.3	L428 V713 V714 A721 G722 L723 I728 A743 L747 L929	L428-L717 HydrophobicContact CD2-CD2 4.17Å; V713-L717 HydrophobicContact CG1-CD1 4.2Å; V713-L717 WeakPolarHBondContact O-CG 3.36Å; V713-L717 PolarHBondContact O-N 3.44Å; V713-L717 VanDerWaalsContact O-N 3.08Å; V714-L717 PolarHBondContact O-N 2.96Å; L717-A721 HydrophobicContact CD2-CB 4.12Å; L717-A721 CarbonylContact O-C 3.54Å; L717-A721 WeakPolarHBondContact O-CA 3.45Å; L717-A721 VanDerWaalsContact O-CB 3.28Å; L717-A721 WeakPolarHBondContact O-CB 3.26Å; L717-A721 PolarHBondContact O-N 3.39Å; L717-G722 PolarHBondContact O-N 3.15Å; L717-L723 HydrophobicContact CB-CD1 4.45Å; L717-L723 HydrophobicContact CD2-CD1 4.44Å; L717-L723 PolarHBondContact O-N 3.22Å; L717-I728 HydrophobicContact CB-CD1 3.68Å; L717-I728 HydrophobicContact CD1-CD1 4.43Å; L717-A743 HydrophobicContact CD1-CB 4.25Å; L717-A743 HydrophobicContact CD2-CB 4.16Å; L717-L747 HydrophobicContact CD1-CD2 4.43Å; L717-L747 HydrophobicContact CD2-CB 4.49Å; L717-L747 HydrophobicContact CD2-CD2 3.82Å; L717-L747 HydrophobicContact CG-CD2 3.8Å; L717-L929 HydrophobicContact CD2-CD1 4.17Å
718	S	96.5	Very high	94.1	Very high	41 Å²	41	47.6 Å²	47.6	29%	0.287	24%	0.243	S	C	.	.	H	α-helix	trans	-61.5	-53.3	174.7	172.3	0	0	0	0	112.3	V714 A716 G722 L723	V714-S718 WeakPolarHBondContact O-CB 3.33Å; V714-S718 PolarHBondContact O-N 2.86Å; A716-S718 VanDerWaalsContact C-N 3.34Å; A716-S718 PolarHBondContact O-N 2.92Å; S718-G722 PolarHBondContact O-N 3.06Å; S718-L723 VanDerWaalsContact CA-O 3.22Å; S718-L723 WeakPolarHBondContact CA-O 3.33Å
719	R	94.7	Very high	94.5	Very high	174 Å²	174	43.6 Å²	43.6	66%	0.657	22%	0.224	S	C	*	.	H	α-helix	trans	-70.3	-34.5	-175.9	-70.8	177.8	175.7	-157.5	-3.5	114.6	K715 A716	K715-R719 WeakPolarHBondContact O-CB 3.21Å; K715-R719 WeakPolarHBondContact O-CG 3.35Å; K715-R719 PolarHBondContact O-N 2.91Å; A716-R719 PolarHBondContact O-N 2.79Å
720	E	93.9	Very high	94.6	Very high	72 Å²	72	45.6 Å²	45.6	34%	0.336	23%	0.233	S	C	.	.	H	α-helix	trans	-117.8	-28.8	-166.6	-57.2	-69.4	-173.1	0	0	114.2	A716 I926 L929 K930	A716-E720 WeakPolarHBondContact O-CB 3.39Å; A716-E720 PolarHBondContact O-N 3.2Å; E720-I926 HydrophobicContact CG-CB 4.45Å; E720-I926 HydrophobicContact CG-CD1 4.17Å; E720-I926 HydrophobicContact CG-CG1 3.86Å; E720-I926 HydrophobicContact CG-CG2 3.99Å; E720-I926 WeakPolarHBondContact OE1-CG2 3.26Å; E720-L929 HydrophobicContact CB-CD1 3.9Å; E720-L929 HydrophobicContact CB-CD2 4.05Å; E720-K930 WeakPolarHBondContact OE1-CE 3.38Å; E720-K930 IonicContact OE1-NZ 3.79Å; E720-K930 PolarHBondContact OE1-NZ 3.48Å; E720-K930 WeakPolarHBondContact OE2-CE 3.49Å; E720-K930 IonicContact OE2-NZ 3.22Å; E720-K930 PolarHBondContact OE2-NZ 3.1Å
721	A	93.2	Very high	94.7	Very high	10 Å²	10	45 Å²	45	8%	0.083	23%	0.23	C	C	.	.	H	α-helix	trans	-94.8	-6.7	172.8	0	0	0	0	0	112.7	Q427 L717 L723	Q427-A721 PolarHBondContact NE2-O 2.79Å; L717-A721 HydrophobicContact CD2-CB 4.12Å; L717-A721 CarbonylContact O-C 3.54Å; L717-A721 WeakPolarHBondContact O-CA 3.45Å; L717-A721 VanDerWaalsContact O-CB 3.28Å; L717-A721 WeakPolarHBondContact O-CB 3.26Å; L717-A721 PolarHBondContact O-N 3.39Å; A721-L723 VanDerWaalsContact C-N 3.32Å; A721-L723 HydrophobicContact CB-CD1 4.11Å; A721-L723 HydrophobicContact CB-CG 4.03Å; A721-L723 PolarHBondContact O-N 2.75Å
722	G	95	Very high	94.8	Very high	67 Å²	67	42.5 Å²	42.5	69%	0.691	22%	0.217	S	C	*	.			trans	67.6	30.2	178.3	0	0	0	0	0	113.4	L717 S718	L717-G722 PolarHBondContact O-N 3.15Å; S718-G722 PolarHBondContact O-N 3.06Å
723	L	95.3	Very high	94.7	Very high	19 Å²	19	42.8 Å²	42.8	10%	0.099	22%	0.218	C	C	.	.			trans	-99.4	130.4	-176.3	-64.1	-179.6	0	0	0	110.7	L717 S718 A721 E725 I728 Y740 A743	L717-L723 HydrophobicContact CB-CD1 4.45Å; L717-L723 HydrophobicContact CD2-CD1 4.44Å; L717-L723 PolarHBondContact O-N 3.22Å; S718-L723 VanDerWaalsContact CA-O 3.22Å; S718-L723 WeakPolarHBondContact CA-O 3.33Å; A721-L723 VanDerWaalsContact C-N 3.32Å; A721-L723 HydrophobicContact CB-CD1 4.11Å; A721-L723 HydrophobicContact CB-CG 4.03Å; A721-L723 PolarHBondContact O-N 2.75Å; L723-E725 PolarHBondContact O-N 2.98Å; L723-I728 HydrophobicContact CB-CD1 3.82Å; L723-I728 HydrophobicContact CB-CG1 4.18Å; L723-Y740 HydrophobicContact CB-CD1 4.24Å; L723-Y740 HydrophobicContact CB-CE1 4.31Å; L723-Y740 HydrophobicContact CD2-CD1 4.16Å; L723-Y740 HydrophobicContact CD2-CE1 3.94Å; L723-A743 HydrophobicContact CD1-CB 3.71Å
724	D	96.5	Very high	94.3	Very high	74 Å²	74	46 Å²	46	40%	0.396	23%	0.233	S	C	.	.			trans	-58.4	126.8	-179.8	174	-120.3	0	0	0	112.5	E726 Q727 I728	D724-E726 PolarHBondContact O-N 3.1Å; D724-Q727 HydrophobicContact CB-CB 4.07Å; D724-Q727 HydrophobicContact CB-CG 4.28Å; D724-Q727 PolarHBondContact O-N 2.94Å; D724-Q727 WeakPolarHBondContact OD1-CB 3.48Å; D724-Q727 VanDerWaalsContact OD1-CD 3.26Å; D724-Q727 WeakPolarHBondContact OD1-CG 3.4Å; D724-Q727 PolarHBondContact OD1-N 3.23Å; D724-Q727 PolarHBondContact OD1-NE2 3.25Å; D724-I728 WeakPolarHBondContact O-CG1 3.08Å; D724-I728 PolarHBondContact O-N 3.28Å
725	E	95.1	Very high	94.1	Very high	55 Å²	55	50.6 Å²	50.6	26%	0.257	25%	0.25	S	C	.	.	H	α-helix	trans	-61.2	-43.1	-174.2	167.7	150.1	-169.6	0	0	111.5	V714 L723 I728 R729	V714-E725 HydrophobicContact CG1-CB 4.26Å; V714-E725 HydrophobicContact CG1-CG 3.59Å; L723-E725 PolarHBondContact O-N 2.98Å; E725-I728 PolarHBondContact O-N 3.13Å; E725-R729 WeakPolarHBondContact O-CG 3.37Å; E725-R729 PolarHBondContact O-N 3.01Å
726	E	93.9	Very high	94	Very high	93 Å²	93	49.6 Å²	49.6	44%	0.435	25%	0.245	S	C	.	.	H	α-helix	trans	-68.1	-40.1	179.5	-175.1	57.2	-159.1	0	0	111.8	D724 I728 R729 Q730	D724-E726 PolarHBondContact O-N 3.1Å; E726-I728 VanDerWaalsContact C-N 3.33Å; E726-I728 PolarHBondContact O-N 3.23Å; E726-R729 PolarHBondContact O-N 3.4Å; E726-Q730 HydrophobicContact CG-CG 4.27Å; E726-Q730 WeakPolarHBondContact O-CB 3.42Å; E726-Q730 WeakPolarHBondContact O-CG 3.47Å; E726-Q730 PolarHBondContact O-N 2.86Å; E726-Q730 WeakPolarHBondContact OE1-CG 3.38Å; E726-Q730 PolarHBondContact OE1-NE2 3.23Å
727	Q	96.1	Very high	94	Very high	87 Å²	87	49.9 Å²	49.9	41%	0.407	25%	0.247	S	C	.	.	H	α-helix	trans	-63.7	-34.5	172.9	-75.9	160.2	58.1	0	0	113	D724 S731 Y740	D724-Q727 HydrophobicContact CB-CB 4.07Å; D724-Q727 HydrophobicContact CB-CG 4.28Å; D724-Q727 PolarHBondContact O-N 2.94Å; D724-Q727 WeakPolarHBondContact OD1-CB 3.48Å; D724-Q727 VanDerWaalsContact OD1-CD 3.26Å; D724-Q727 WeakPolarHBondContact OD1-CG 3.4Å; D724-Q727 PolarHBondContact OD1-N 3.23Å; D724-Q727 PolarHBondContact OD1-NE2 3.25Å; Q727-S731 WeakPolarHBondContact O-CB 3.5Å; Q727-S731 PolarHBondContact O-N 3.44Å; Q727-Y740 HydrophobicContact CB-CD1 4.16Å; Q727-Y740 HydrophobicContact CB-CD2 4.33Å; Q727-Y740 HydrophobicContact CB-CE1 3.99Å; Q727-Y740 HydrophobicContact CB-CE2 4.17Å; Q727-Y740 HydrophobicContact CB-CG 4.32Å; Q727-Y740 PolarHBondContact OE1-OH 3.36Å
728	I	95.3	Very high	94	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-48.5	171.2	-63	159.9	0	0	0	110.7	V714 L717 L723 D724 E725 E726 T732 Y740 Y744	V714-I728 HydrophobicContact CG1-CB 4.35Å; V714-I728 HydrophobicContact CG1-CD1 4.44Å; V714-I728 HydrophobicContact CG1-CG2 4.28Å; V714-I728 HydrophobicContact CG2-CG2 3.97Å; L717-I728 HydrophobicContact CB-CD1 3.68Å; L717-I728 HydrophobicContact CD1-CD1 4.43Å; L723-I728 HydrophobicContact CB-CD1 3.82Å; L723-I728 HydrophobicContact CB-CG1 4.18Å; D724-I728 WeakPolarHBondContact O-CG1 3.08Å; D724-I728 PolarHBondContact O-N 3.28Å; E725-I728 PolarHBondContact O-N 3.13Å; E726-I728 VanDerWaalsContact C-N 3.33Å; E726-I728 PolarHBondContact O-N 3.23Å; I728-T732 WeakPolarHBondContact O-CB 3.38Å; I728-T732 PolarHBondContact O-N 2.9Å; I728-T732 PolarHBondContact O-OG1 2.82Å; I728-Y740 HydrophobicContact CG1-CD1 4.18Å; I728-Y744 HydrophobicContact CG2-CD2 4.13Å; I728-Y744 HydrophobicContact CG2-CG 4.43Å
729	R	94	Very high	94	Very high	50 Å²	50	56.3 Å²	56.3	19%	0.189	27%	0.268	C	S	.	.	H	α-helix	trans	-57.4	-61	177.7	-64.5	174.9	89.1	93.7	-0	110.2	E706 L709 V714 E725 E726 S731 T732 I733	E706-R729 IonicContact OE1-CZ 2.61Å; E706-R729 IonicContact OE1-NE 3.47Å; E706-R729 PolarHBondContact OE1-NE 2.79Å; E706-R729 IonicContact OE1-NH2 3.07Å; E706-R729 PolarHBondContact OE1-NH2 2.91Å; L709-R729 HydrophobicContact CD1-CB 4.08Å; L709-R729 HydrophobicContact CD1-CG 3.96Å; V714-R729 HydrophobicContact CG1-CG 4.47Å; E725-R729 WeakPolarHBondContact O-CG 3.37Å; E725-R729 PolarHBondContact O-N 3.01Å; E726-R729 PolarHBondContact O-N 3.4Å; R729-S731 PolarHBondContact O-N 2.86Å; R729-T732 PolarHBondContact O-N 3.35Å; R729-T732 VanDerWaalsContact O-N 3.16Å; R729-I733 HydrophobicContact CB-CD1 4.25Å; R729-I733 WeakPolarHBondContact O-CD1 3.41Å; R729-I733 WeakPolarHBondContact O-CG1 3.34Å; R729-I733 PolarHBondContact O-N 3.31Å
730	Q	92.8	Very high	94.1	Very high	51 Å²	51	49.3 Å²	49.3	24%	0.238	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-44.2	-174.9	-66.1	-62.2	-22.2	0	0	112.6	E726 T732 Q734	E726-Q730 HydrophobicContact CG-CG 4.27Å; E726-Q730 WeakPolarHBondContact O-CB 3.42Å; E726-Q730 WeakPolarHBondContact O-CG 3.47Å; E726-Q730 PolarHBondContact O-N 2.86Å; E726-Q730 WeakPolarHBondContact OE1-CG 3.38Å; E726-Q730 PolarHBondContact OE1-NE2 3.23Å; Q730-T732 VanDerWaalsContact C-N 3.33Å; Q730-T732 PolarHBondContact O-N 3.09Å; Q730-Q734 WeakPolarHBondContact O-CB 3.36Å; Q730-Q734 WeakPolarHBondContact O-CG 3.44Å; Q730-Q734 PolarHBondContact O-N 3.15Å
731	S	95.1	Very high	94.2	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.028	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-38.7	177.7	178.5	0	0	0	0	112.5	Q727 R729 R735 K736 D738 H741	Q727-S731 WeakPolarHBondContact O-CB 3.5Å; Q727-S731 PolarHBondContact O-N 3.44Å; R729-S731 PolarHBondContact O-N 2.86Å; S731-R735 WeakPolarHBondContact O-CA 3.29Å; S731-R735 PolarHBondContact O-N 3.38Å; S731-K736 PolarHBondContact O-N 3.43Å; S731-D738 PolarHBondContact OG-OD1 2.68Å; S731-D738 PolarHBondContact OG-OD2 3.31Å; S731-D738 VanDerWaalsContact OG-OD2 3.07Å; S731-H741 WeakPolarHBondContact OG-CB 3.34Å; S731-H741 PolarHBondContact OG-N 3.15Å
732	T	92.7	Very high	94.4	Very high	8 Å²	8	45.7 Å²	45.7	5%	0.049	22%	0.223	C	C	.	.	H	α-helix	trans	-74.3	-45.3	-178.7	-58.5	0	0	0	0	112.2	L709 I728 R729 Q730 Q734 R735 Y744	L709-T732 HydrophobicContact CD2-CG2 3.52Å; I728-T732 WeakPolarHBondContact O-CB 3.38Å; I728-T732 PolarHBondContact O-N 2.9Å; I728-T732 PolarHBondContact O-OG1 2.82Å; R729-T732 PolarHBondContact O-N 3.35Å; R729-T732 VanDerWaalsContact O-N 3.16Å; Q730-T732 VanDerWaalsContact C-N 3.33Å; Q730-T732 PolarHBondContact O-N 3.09Å; T732-Q734 VanDerWaalsContact C-N 3.35Å; T732-R735 PolarHBondContact O-N 3.11Å; T732-Y744 HydrophobicContact CG2-CD1 3.37Å; T732-Y744 HydrophobicContact CG2-CE1 3.54Å; T732-Y744 HydrophobicContact CG2-CG 4.05Å
733	I	89.3	Confident	94.6	Very high	13 Å²	13	42.6 Å²	42.6	7%	0.067	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-43.7	178.5	-58.2	161.6	0	0	0	109.7	L702 V705 E706 L709 R729 R735	L702-I733 HydrophobicContact CB-CG2 4.09Å; L702-I733 HydrophobicContact CD2-CB 4.43Å; L702-I733 HydrophobicContact CD2-CG2 3.43Å; L702-I733 VanDerWaalsContact CD2-CG2 3.43Å; L702-I733 HydrophobicContact CG-CG2 4.33Å; V705-I733 HydrophobicContact CB-CG2 3.95Å; V705-I733 HydrophobicContact CG1-CB 4.17Å; V705-I733 HydrophobicContact CG1-CG1 4.31Å; V705-I733 HydrophobicContact CG1-CG2 3.82Å; E706-I733 HydrophobicContact CB-CD1 3.84Å; E706-I733 HydrophobicContact CB-CG1 4.42Å; E706-I733 HydrophobicContact CG-CD1 4.02Å; L709-I733 HydrophobicContact CD1-CD1 3.97Å; L709-I733 HydrophobicContact CD1-CG1 3.93Å; L709-I733 HydrophobicContact CG-CG1 4.37Å; R729-I733 HydrophobicContact CB-CD1 4.25Å; R729-I733 WeakPolarHBondContact O-CD1 3.41Å; R729-I733 WeakPolarHBondContact O-CG1 3.34Å; R729-I733 PolarHBondContact O-N 3.31Å; I733-R735 PolarHBondContact O-N 3.27Å
734	Q	88.4	Confident	94.7	Very high	68 Å²	68	41.8 Å²	41.8	32%	0.318	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-5.6	178.4	-60.3	168.1	14	0	0	113.4	L702 Q730 T732 K736	L702-Q734 HydrophobicContact CD2-CG 4.2Å; Q730-Q734 WeakPolarHBondContact O-CB 3.36Å; Q730-Q734 WeakPolarHBondContact O-CG 3.44Å; Q730-Q734 PolarHBondContact O-N 3.15Å; T732-Q734 VanDerWaalsContact C-N 3.35Å; Q734-K736 HydrophobicContact CB-CG 4.34Å; Q734-K736 PolarHBondContact O-N 3.35Å
735	R	89.9	Confident	94.6	Very high	96 Å²	96	40.4 Å²	40.4	36%	0.362	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	55.6	-177.2	-61.3	170.8	165.4	-135.6	-17.8	112.2	Q461 S731 T732 I733 Y737	Q461-R735 VanDerWaalsContact CD-NH1 3.28Å; S731-R735 WeakPolarHBondContact O-CA 3.29Å; S731-R735 PolarHBondContact O-N 3.38Å; T732-R735 PolarHBondContact O-N 3.11Å; I733-R735 PolarHBondContact O-N 3.27Å; R735-Y737 VanDerWaalsContact C-N 3.29Å; R735-Y737 HydrophobicContact CB-CE2 4.02Å; R735-Y737 WeakPolarHBondContact O-CD2 3.42Å; R735-Y737 WeakPolarHBondContact O-CE2 3.28Å; R735-Y737 PolarHBondContact O-N 3.19Å
736	K	94	Very high	94.7	Very high	59 Å²	59	37.8 Å²	37.8	26%	0.257	17%	0.165	S	C	.	.			trans	-71.6	-19	-175.5	-90.6	172.3	164.7	156.8	0	114.8	S731 Q734 D738 W1515	S731-K736 PolarHBondContact O-N 3.43Å; Q734-K736 HydrophobicContact CB-CG 4.34Å; Q734-K736 PolarHBondContact O-N 3.35Å; K736-D738 PolarHBondContact O-N 3.11Å; K736-W1515 HydrophobicContact CG-CH2 4.35Å; K736-W1515 HydrophobicContact CG-CZ3 4.22Å
737	Y	96	Very high	94.9	Very high	7 Å²	7	33.4 Å²	33.4	3%	0.027	15%	0.145	C	C	.	.			trans	54	40.4	-172.5	-55.2	-89.2	0	0	0	112.3	K458 Q461 L468 H470 V471 R735 H741	K458-Y737 HydrophobicContact CB-CE2 4.05Å; K458-Y737 HydrophobicContact CD-CD2 3.91Å; K458-Y737 HydrophobicContact CD-CE2 3.8Å; K458-Y737 HydrophobicContact CG-CD2 3.89Å; K458-Y737 HydrophobicContact CG-CE2 3.46Å; K458-Y737 VanDerWaalsContact CG-CE2 3.46Å; K458-Y737 PolarHBondContact O-OH 2.8Å; Q461-Y737 PolarHBondContact NE2-OH 3.41Å; Q461-Y737 VanDerWaalsContact NE2-OH 3.07Å; L468-Y737 HydrophobicContact CB-CD1 4.37Å; L468-Y737 HydrophobicContact CB-CE1 4.29Å; L468-Y737 HydrophobicContact CD2-CD1 4.08Å; L468-Y737 HydrophobicContact CD2-CE1 4.35Å; L468-Y737 HydrophobicContact CD2-CG 4.4Å; L468-Y737 HydrophobicContact CG-CD1 3.96Å; L468-Y737 HydrophobicContact CG-CE1 4.33Å; L468-Y737 WeakPolarHBondContact O-CD1 3.35Å; L468-Y737 VanDerWaalsContact O-CE1 3.27Å; L468-Y737 WeakPolarHBondContact O-CE1 3.12Å; H470-Y737 CarbonylContact C-O 3.5Å; H470-Y737 VanDerWaalsContact CA-O 3.3Å; H470-Y737 WeakPolarHBondContact CA-O 3.45Å; H470-Y737 PolarHBondContact CD2-O 2.89Å; H470-Y737 VanDerWaalsContact CD2-O 3.25Å; V471-Y737 PolarHBondContact N-O 2.73Å; R735-Y737 VanDerWaalsContact C-N 3.29Å; R735-Y737 HydrophobicContact CB-CE2 4.02Å; R735-Y737 WeakPolarHBondContact O-CD2 3.42Å; R735-Y737 WeakPolarHBondContact O-CE2 3.28Å; R735-Y737 PolarHBondContact O-N 3.19Å; Y737-H741 AromaticContact CD1-CD2 3.84Å; Y737-H741 AromaticContact CE1-NE2 3.97Å
738	D	96.5	Very high	94.8	Very high	43 Å²	43	31.9 Å²	31.9	23%	0.23	14%	0.137	C	C	.	.	S	Bend	trans	-101.8	-172.9	170.5	71	25.9	0	0	0	111.4	S731 K736 Y740 H741 A742	S731-D738 PolarHBondContact OG-OD1 2.68Å; S731-D738 PolarHBondContact OG-OD2 3.31Å; S731-D738 VanDerWaalsContact OG-OD2 3.07Å; K736-D738 PolarHBondContact O-N 3.11Å; D738-Y740 PolarHBondContact O-N 2.95Å; D738-Y740 WeakPolarHBondContact OD1-CA 3.34Å; D738-Y740 WeakPolarHBondContact OD1-CB 3.33Å; D738-Y740 WeakPolarHBondContact OD1-CD2 3.17Å; D738-Y740 PolarHBondContact OD1-N 3.3Å; D738-H741 PolarHBondContact O-N 2.83Å; D738-H741 PolarHBondContact OD1-N 3.01Å; D738-A742 VanDerWaalsContact O-CB 3.27Å; D738-A742 WeakPolarHBondContact O-CB 3.47Å; D738-A742 PolarHBondContact O-N 2.78Å
739	R	96.1	Very high	94.7	Very high	133 Å²	133	33.6 Å²	33.6	50%	0.502	15%	0.145	S	C	.	.	H	α-helix	trans	-57.9	-29.2	-179.2	71.6	-178.1	-175.1	179.4	2.3	114.6	H470 A743	H470-R739 WeakPolarHBondContact CE1-CA 3.01Å; H470-R739 PolarHBondContact CE1-N 2.85Å; H470-R739 VanDerWaalsContact CE1-N 3.3Å; H470-R739 PolarHBondContact NE2-N 3.31Å; H470-R739 VanDerWaalsContact NE2-N 3.2Å; R739-A743 VanDerWaalsContact O-CB 3.27Å; R739-A743 WeakPolarHBondContact O-CB 3.33Å; R739-A743 PolarHBondContact O-N 3.14Å; R739-A743 VanDerWaalsContact O-N 3.08Å
740	Y	97.4	Very high	94.7	Very high	26 Å²	26	31.3 Å²	31.3	10%	0.102	14%	0.136	C	C	.	.	H	α-helix	trans	-82.2	-46	-177.2	-56.2	-81.4	0	0	0	110.9	L723 Q727 I728 D738 A742 A743 Y744	L723-Y740 HydrophobicContact CB-CD1 4.24Å; L723-Y740 HydrophobicContact CB-CE1 4.31Å; L723-Y740 HydrophobicContact CD2-CD1 4.16Å; L723-Y740 HydrophobicContact CD2-CE1 3.94Å; Q727-Y740 HydrophobicContact CB-CD1 4.16Å; Q727-Y740 HydrophobicContact CB-CD2 4.33Å; Q727-Y740 HydrophobicContact CB-CE1 3.99Å; Q727-Y740 HydrophobicContact CB-CE2 4.17Å; Q727-Y740 HydrophobicContact CB-CG 4.32Å; Q727-Y740 PolarHBondContact OE1-OH 3.36Å; I728-Y740 HydrophobicContact CG1-CD1 4.18Å; D738-Y740 PolarHBondContact O-N 2.95Å; D738-Y740 WeakPolarHBondContact OD1-CA 3.34Å; D738-Y740 WeakPolarHBondContact OD1-CB 3.33Å; D738-Y740 WeakPolarHBondContact OD1-CD2 3.17Å; D738-Y740 PolarHBondContact OD1-N 3.3Å; Y740-A742 VanDerWaalsContact C-N 3.31Å; Y740-A742 PolarHBondContact O-N 2.93Å; Y740-A743 PolarHBondContact O-N 3.21Å; Y740-Y744 PolarHBondContact O-N 2.87Å
741	H	96.5	Very high	94.8	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.032	13%	0.128	C	C	.	.	H	α-helix	trans	-59.4	-44.5	172.7	-176.4	50.4	0	0	0	111.1	S731 Y737 D738 Y744 E745	S731-H741 WeakPolarHBondContact OG-CB 3.34Å; S731-H741 PolarHBondContact OG-N 3.15Å; Y737-H741 AromaticContact CD1-CD2 3.84Å; Y737-H741 AromaticContact CE1-NE2 3.97Å; D738-H741 PolarHBondContact O-N 2.83Å; D738-H741 PolarHBondContact OD1-N 3.01Å; H741-Y744 PolarHBondContact O-N 3.34Å; H741-E745 VanDerWaalsContact CE1-CG 3.49Å; H741-E745 WeakPolarHBondContact CE1-CG 3.08Å; H741-E745 PolarHBondContact O-N 2.88Å
742	A	97.4	Very high	94.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.2	-44.2	178.3	0	0	0	0	0	112.4	Y406 H470 D738 Y740 Y744 L746	Y406-A742 WeakPolarHBondContact OH-CB 3.5Å; H470-A742 HydrophobicContact CB-CB 3.81Å; D738-A742 VanDerWaalsContact O-CB 3.27Å; D738-A742 WeakPolarHBondContact O-CB 3.47Å; D738-A742 PolarHBondContact O-N 2.78Å; Y740-A742 VanDerWaalsContact C-N 3.31Å; Y740-A742 PolarHBondContact O-N 2.93Å; A742-Y744 VanDerWaalsContact C-N 3.34Å; A742-Y744 PolarHBondContact O-N 2.85Å; A742-L746 WeakPolarHBondContact O-CB 3.35Å; A742-L746 WeakPolarHBondContact O-CD1 3.5Å; A742-L746 WeakPolarHBondContact O-CG 3.37Å; A742-L746 PolarHBondContact O-N 3.31Å
743	A	97.7	Very high	94.5	Very high	1 Å²	1	37 Å²	37	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-39.5	177.2	0	0	0	0	0	112.3	L717 L723 R739 Y740 L747	L717-A743 HydrophobicContact CD1-CB 4.25Å; L717-A743 HydrophobicContact CD2-CB 4.16Å; L723-A743 HydrophobicContact CD1-CB 3.71Å; R739-A743 VanDerWaalsContact O-CB 3.27Å; R739-A743 WeakPolarHBondContact O-CB 3.33Å; R739-A743 PolarHBondContact O-N 3.14Å; R739-A743 VanDerWaalsContact O-N 3.08Å; Y740-A743 PolarHBondContact O-N 3.21Å; A743-L747 WeakPolarHBondContact O-CB 3.25Å; A743-L747 PolarHBondContact O-N 3.31Å; A743-L747 VanDerWaalsContact O-N 3.11Å
744	Y	97.3	Very high	94.7	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-64.3	-55.3	176.2	177.3	-93.8	0	0	0	112.4	L709 D710 V713 V714 I728 T732 Y740 H741 A742 L746 L747 K748	L709-Y744 WeakPolarHBondContact CA-OH 3.42Å; L709-Y744 HydrophobicContact CD2-CE1 4.17Å; L709-Y744 HydrophobicContact CD2-CE2 4.14Å; D710-Y744 PolarHBondContact N-OH 2.68Å; V713-Y744 HydrophobicContact CB-CD2 4.24Å; V713-Y744 HydrophobicContact CB-CE2 3.94Å; V713-Y744 HydrophobicContact CG1-CD2 3.49Å; V713-Y744 VanDerWaalsContact CG1-CD2 3.49Å; V713-Y744 HydrophobicContact CG1-CE2 3.65Å; V713-Y744 HydrophobicContact CG1-CG 4.34Å; V714-Y744 HydrophobicContact CG2-CD2 4.03Å; V714-Y744 HydrophobicContact CG2-CE2 3.9Å; I728-Y744 HydrophobicContact CG2-CD2 4.13Å; I728-Y744 HydrophobicContact CG2-CG 4.43Å; T732-Y744 HydrophobicContact CG2-CD1 3.37Å; T732-Y744 HydrophobicContact CG2-CE1 3.54Å; T732-Y744 HydrophobicContact CG2-CG 4.05Å; Y740-Y744 PolarHBondContact O-N 2.87Å; H741-Y744 PolarHBondContact O-N 3.34Å; A742-Y744 VanDerWaalsContact C-N 3.34Å; A742-Y744 PolarHBondContact O-N 2.85Å; Y744-L746 PolarHBondContact O-N 2.84Å; Y744-L747 PolarHBondContact O-N 3.28Å; Y744-K748 HydrophobicContact CD1-CD 4.21Å; Y744-K748 HydrophobicContact CE1-CD 3.45Å; Y744-K748 VanDerWaalsContact CE1-CD 3.45Å; Y744-K748 WeakPolarHBondContact O-CB 3.32Å; Y744-K748 PolarHBondContact O-N 2.94Å
745	E	96	Very high	94.8	Very high	46 Å²	46	35.3 Å²	35.3	22%	0.215	15%	0.152	C	C	.	.	H	α-helix	trans	-66.7	-36.4	-178.1	-69.2	-61.6	150.2	0	0	112.2	Y469 H741 K748 E749	Y469-E745 HydrophobicContact CD1-CB 4.19Å; H741-E745 VanDerWaalsContact CE1-CG 3.49Å; H741-E745 WeakPolarHBondContact CE1-CG 3.08Å; H741-E745 PolarHBondContact O-N 2.88Å; E745-K748 PolarHBondContact O-N 2.94Å; E745-K748 IonicContact OE1-NZ 2.71Å; E745-K748 PolarHBondContact OE1-NZ 3.46Å; E745-K748 IonicContact OE2-NZ 2.79Å; E745-K748 PolarHBondContact OE2-NZ 3.35Å; E745-E749 VanDerWaalsContact O-CB 3.23Å; E745-E749 WeakPolarHBondContact O-CB 3.48Å; E745-E749 PolarHBondContact O-N 2.7Å
746	L	97.3	Very high	94.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.2	-39.6	176	-70.5	169.9	0	0	0	112.8	Y406 H425 L428 V430 V432 Y469 A742 Y744 K750	Y406-L746 HydrophobicContact CE1-CD1 4.21Å; H425-L746 HydrophobicContact CB-CD1 4.33Å; L428-L746 HydrophobicContact CD1-CB 3.87Å; V430-L746 HydrophobicContact CB-CD2 4.41Å; V430-L746 HydrophobicContact CG1-CD2 3.83Å; V432-L746 HydrophobicContact CG1-CD1 4.3Å; V432-L746 HydrophobicContact CG1-CD2 3.76Å; Y469-L746 HydrophobicContact CD1-CD2 4.18Å; Y469-L746 HydrophobicContact CD1-CG 4.38Å; Y469-L746 HydrophobicContact CD2-CD2 3.81Å; Y469-L746 HydrophobicContact CD2-CG 4.49Å; Y469-L746 HydrophobicContact CE1-CD2 4.05Å; Y469-L746 HydrophobicContact CE2-CD2 3.65Å; Y469-L746 HydrophobicContact CG-CD2 4.06Å; Y469-L746 HydrophobicContact CG-CG 4.32Å; A742-L746 WeakPolarHBondContact O-CB 3.35Å; A742-L746 WeakPolarHBondContact O-CD1 3.5Å; A742-L746 WeakPolarHBondContact O-CG 3.37Å; A742-L746 PolarHBondContact O-N 3.31Å; Y744-L746 PolarHBondContact O-N 2.84Å; L746-K750 WeakPolarHBondContact O-CB 3.23Å; L746-K750 PolarHBondContact O-N 3.08Å
747	L	97.1	Very high	94.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-71	-40.8	175.9	179.9	56.1	0	0	0	111.5	L428 V713 A716 L717 A743 Y744 E749 K750 I751 I928 L929	L428-L747 HydrophobicContact CD1-CB 4.3Å; L428-L747 HydrophobicContact CD2-CB 4.21Å; L428-L747 HydrophobicContact CD2-CD1 4.28Å; V713-L747 HydrophobicContact CG1-CB 4.28Å; V713-L747 HydrophobicContact CG1-CD2 4.09Å; V713-L747 HydrophobicContact CG1-CG 4.21Å; A716-L747 HydrophobicContact CB-CD2 4.3Å; L717-L747 HydrophobicContact CD1-CD2 4.43Å; L717-L747 HydrophobicContact CD2-CB 4.49Å; L717-L747 HydrophobicContact CD2-CD2 3.82Å; L717-L747 HydrophobicContact CG-CD2 3.8Å; A743-L747 WeakPolarHBondContact O-CB 3.25Å; A743-L747 PolarHBondContact O-N 3.31Å; A743-L747 VanDerWaalsContact O-N 3.11Å; Y744-L747 PolarHBondContact O-N 3.28Å; L747-E749 VanDerWaalsContact C-N 3.32Å; L747-E749 PolarHBondContact O-N 3.45Å; L747-K750 PolarHBondContact O-N 3.11Å; L747-I751 HydrophobicContact CD1-CD1 4.14Å; L747-I751 HydrophobicContact CD1-CG1 4.26Å; L747-I751 HydrophobicContact CG-CD1 3.94Å; L747-I751 VanDerWaalsContact O-CG1 3.31Å; L747-I751 WeakPolarHBondContact O-CG1 3.42Å; L747-I751 PolarHBondContact O-N 3.34Å; L747-I928 HydrophobicContact CD1-CG2 4.31Å; L747-L929 HydrophobicContact CD1-CB 3.99Å; L747-L929 HydrophobicContact CD2-CB 4.19Å; L747-L929 HydrophobicContact CD2-CD1 3.94Å; L747-L929 HydrophobicContact CD2-CG 4.23Å
748	K	94.9	Very high	94.2	Very high	56 Å²	56	40.5 Å²	40.5	24%	0.243	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-34.5	175.1	173.9	175.3	163.4	-128.2	0	112.9	Y744 E745 K752	Y744-K748 HydrophobicContact CD1-CD 4.21Å; Y744-K748 HydrophobicContact CE1-CD 3.45Å; Y744-K748 VanDerWaalsContact CE1-CD 3.45Å; Y744-K748 WeakPolarHBondContact O-CB 3.32Å; Y744-K748 PolarHBondContact O-N 2.94Å; E745-K748 PolarHBondContact O-N 2.94Å; E745-K748 IonicContact OE1-NZ 2.71Å; E745-K748 PolarHBondContact OE1-NZ 3.46Å; E745-K748 IonicContact OE2-NZ 2.79Å; E745-K748 PolarHBondContact OE2-NZ 3.35Å; K748-K752 WeakPolarHBondContact O-CG 3.37Å
749	E	92.2	Very high	93.9	Very high	35 Å²	35	41.2 Å²	41.2	16%	0.164	19%	0.193	C	C	.	.	H	α-helix	trans	-67.8	-50.1	169.9	-176.9	112.7	-117.4	0	0	110.8	R467 Y469 E745 L747 I751 K752 I753	R467-E749 IonicContact CZ-OE1 2.71Å; R467-E749 IonicContact NH1-OE1 2.84Å; R467-E749 PolarHBondContact NH1-OE1 3.12Å; R467-E749 IonicContact NH1-OE2 3.2Å; R467-E749 PolarHBondContact NH1-OE2 3.33Å; Y469-E749 PolarHBondContact OH-OE2 3.34Å; E745-E749 VanDerWaalsContact O-CB 3.23Å; E745-E749 WeakPolarHBondContact O-CB 3.48Å; E745-E749 PolarHBondContact O-N 2.7Å; L747-E749 VanDerWaalsContact C-N 3.32Å; L747-E749 PolarHBondContact O-N 3.45Å; E749-I751 VanDerWaalsContact C-N 3.3Å; E749-I751 PolarHBondContact O-N 3.3Å; E749-K752 WeakPolarHBondContact O-CB 3.35Å; E749-K752 PolarHBondContact O-N 3.22Å; E749-I753 HydrophobicContact CG-CD1 4.46Å; E749-I753 PolarHBondContact O-N 2.91Å; E749-I753 VanDerWaalsContact O-N 3.16Å
750	K	94.8	Very high	93.7	Very high	3 Å²	3	34.9 Å²	34.9	1%	0.013	17%	0.17	C	C	.	.	H	α-helix	trans	-57.3	-39.6	177.7	-166.6	-174.9	-175.1	-175.3	0	112.9	L428 V430 L746 L747 K752 I753 F754 I928 L929 A931	L428-K750 WeakPolarHBondContact O-CE 3.32Å; L428-K750 PolarHBondContact O-NZ 3.3Å; V430-K750 HydrophobicContact CG2-CB 4.01Å; V430-K750 HydrophobicContact CG2-CD 3.84Å; V430-K750 HydrophobicContact CG2-CG 4.16Å; L746-K750 WeakPolarHBondContact O-CB 3.23Å; L746-K750 PolarHBondContact O-N 3.08Å; L747-K750 PolarHBondContact O-N 3.11Å; K750-K752 VanDerWaalsContact C-N 3.3Å; K750-K752 PolarHBondContact O-N 3.45Å; K750-I753 PolarHBondContact O-N 2.9Å; K750-F754 HydrophobicContact CD-CE2 4.42Å; K750-F754 HydrophobicContact CG-CD2 3.91Å; K750-F754 HydrophobicContact CG-CE2 3.9Å; K750-F754 VanDerWaalsContact O-CD2 3.31Å; K750-F754 WeakPolarHBondContact O-CD2 3.15Å; K750-F754 PolarHBondContact O-N 2.83Å; K750-I928 HydrophobicContact CB-CG2 4.32Å; K750-I928 HydrophobicContact CD-CG2 3.93Å; K750-I928 WeakPolarHBondContact CE-O 3.48Å; K750-I928 HydrophobicContact CG-CG2 3.83Å; K750-I928 PolarHBondContact NZ-O 3.23Å; K750-L929 PolarHBondContact NZ-O 2.91Å; K750-A931 PolarHBondContact NZ-O 2.88Å
751	I	94.8	Very high	93.5	Very high	12 Å²	12	35.6 Å²	35.6	6%	0.062	17%	0.172	C	C	.	.	H	α-helix	trans	-61.8	-37	176.4	-72.7	161.5	0	0	0	111.9	V713 L747 E749 F754 Y755 T920 A925 I928	V713-I751 HydrophobicContact CG2-CD1 3.53Å; L747-I751 HydrophobicContact CD1-CD1 4.14Å; L747-I751 HydrophobicContact CD1-CG1 4.26Å; L747-I751 HydrophobicContact CG-CD1 3.94Å; L747-I751 VanDerWaalsContact O-CG1 3.31Å; L747-I751 WeakPolarHBondContact O-CG1 3.42Å; L747-I751 PolarHBondContact O-N 3.34Å; E749-I751 VanDerWaalsContact C-N 3.3Å; E749-I751 PolarHBondContact O-N 3.3Å; I751-F754 PolarHBondContact O-N 3.33Å; I751-Y755 WeakPolarHBondContact O-CB 3.19Å; I751-Y755 PolarHBondContact O-N 2.65Å; I751-T920 HydrophobicContact CD1-CG2 4.33Å; I751-T920 HydrophobicContact CG2-CG2 3.98Å; I751-A925 HydrophobicContact CD1-CB 4.11Å; I751-I928 HydrophobicContact CB-CD1 4.38Å; I751-I928 HydrophobicContact CG1-CB 4.13Å; I751-I928 HydrophobicContact CG1-CD1 3.87Å; I751-I928 HydrophobicContact CG1-CG2 3.76Å; I751-I928 HydrophobicContact CG2-CD1 4.37Å
752	K	91.8	Very high	93.2	Very high	108 Å²	108	39.5 Å²	39.5	47%	0.47	19%	0.193	S	C	.	.	H	α-helix	trans	-66.5	-44.1	174	-64.5	171.2	-177.8	-179.3	0	111.8	K748 E749 K750 F754 Y755 H756	K748-K752 WeakPolarHBondContact O-CG 3.37Å; E749-K752 WeakPolarHBondContact O-CB 3.35Å; E749-K752 PolarHBondContact O-N 3.22Å; K750-K752 VanDerWaalsContact C-N 3.3Å; K750-K752 PolarHBondContact O-N 3.45Å; K752-F754 VanDerWaalsContact C-N 3.31Å; K752-F754 PolarHBondContact O-N 3.12Å; K752-Y755 PolarHBondContact O-N 2.69Å; K752-Y755 VanDerWaalsContact O-N 3.12Å; K752-H756 PolarHBondContact O-CD2 3.18Å; K752-H756 PolarHBondContact O-N 2.64Å
753	I	89.9	Confident	93	Very high	63 Å²	63	41.9 Å²	41.9	32%	0.323	20%	0.203	S	C	.	.	H	α-helix	trans	-58.9	-46.3	177.1	-62.3	169.4	0	0	0	109.9	E749 K750 Y755 H756 N757 L760	E749-I753 HydrophobicContact CG-CD1 4.46Å; E749-I753 PolarHBondContact O-N 2.91Å; E749-I753 VanDerWaalsContact O-N 3.16Å; K750-I753 PolarHBondContact O-N 2.9Å; I753-Y755 VanDerWaalsContact C-N 3.32Å; I753-Y755 PolarHBondContact O-N 3.03Å; I753-H756 PolarHBondContact O-N 2.97Å; I753-N757 VanDerWaalsContact O-CB 3.32Å; I753-N757 WeakPolarHBondContact O-CB 3.26Å; I753-N757 PolarHBondContact O-N 3.26Å; I753-L760 HydrophobicContact CG2-CD1 4.25Å
754	F	93.2	Very high	92.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-28.2	176.3	-86.6	-111.3	0	0	0	113.7	K750 I751 K752 L760 R761 V764 I928 A931 E933 I936	K750-F754 HydrophobicContact CD-CE2 4.42Å; K750-F754 HydrophobicContact CG-CD2 3.91Å; K750-F754 HydrophobicContact CG-CE2 3.9Å; K750-F754 VanDerWaalsContact O-CD2 3.31Å; K750-F754 WeakPolarHBondContact O-CD2 3.15Å; K750-F754 PolarHBondContact O-N 2.83Å; I751-F754 PolarHBondContact O-N 3.33Å; K752-F754 VanDerWaalsContact C-N 3.31Å; K752-F754 PolarHBondContact O-N 3.12Å; F754-L760 HydrophobicContact CB-CB 4.27Å; F754-L760 HydrophobicContact CD1-CB 3.71Å; F754-L760 HydrophobicContact CD1-CD1 4.45Å; F754-L760 HydrophobicContact CD1-CG 4.45Å; F754-L760 HydrophobicContact CD2-CD1 3.93Å; F754-L760 HydrophobicContact CE1-CB 4.14Å; F754-L760 HydrophobicContact CE1-CD2 4.09Å; F754-L760 HydrophobicContact CE1-CG 4.47Å; F754-L760 HydrophobicContact CE2-CD1 3.99Å; F754-L760 HydrophobicContact CG-CB 3.94Å; F754-L760 HydrophobicContact CG-CD1 4.18Å; F754-L760 HydrophobicContact CZ-CD1 4.28Å; F754-L760 HydrophobicContact CZ-CD2 4.17Å; F754-L760 CarbonylContact O-C 3.51Å; F754-R761 VanDerWaalsContact O-CA 3.26Å; F754-R761 WeakPolarHBondContact O-CA 3.47Å; F754-R761 WeakPolarHBondContact O-CB 3.44Å; F754-R761 PolarHBondContact O-N 2.98Å; F754-V764 HydrophobicContact CD1-CG2 3.68Å; F754-V764 HydrophobicContact CE1-CG2 4.31Å; F754-I928 HydrophobicContact CB-CD1 3.9Å; F754-I928 HydrophobicContact CB-CG1 4.01Å; F754-I928 HydrophobicContact CB-CG2 4.27Å; F754-I928 HydrophobicContact CD1-CG1 3.84Å; F754-I928 HydrophobicContact CD1-CG2 4.34Å; F754-I928 HydrophobicContact CD2-CG2 4.01Å; F754-I928 HydrophobicContact CE2-CG2 4.48Å; F754-I928 HydrophobicContact CG-CD1 4.43Å; F754-I928 HydrophobicContact CG-CG1 3.99Å; F754-I928 HydrophobicContact CG-CG2 3.93Å; F754-A931 HydrophobicContact CE1-CB 3.64Å; F754-A931 HydrophobicContact CZ-CB 3.57Å; F754-E933 HydrophobicContact CE2-CB 4.11Å; F754-E933 HydrophobicContact CE2-CG 4.2Å; F754-E933 HydrophobicContact CZ-CB 4.36Å; F754-I936 HydrophobicContact CE1-CD1 4Å; F754-I936 HydrophobicContact CZ-CD1 4.14Å
755	Y	89.3	Confident	92.2	Very high	45 Å²	45	42.4 Å²	42.4	18%	0.176	21%	0.206	C	C	.	.	H	α-helix	trans	-78.7	-39.4	175.9	177.9	-96.4	0	0	0	113.1	I751 K752 I753 R761 S907 L908 W911	I751-Y755 WeakPolarHBondContact O-CB 3.19Å; I751-Y755 PolarHBondContact O-N 2.65Å; K752-Y755 PolarHBondContact O-N 2.69Å; K752-Y755 VanDerWaalsContact O-N 3.12Å; I753-Y755 VanDerWaalsContact C-N 3.32Å; I753-Y755 PolarHBondContact O-N 3.03Å; Y755-R761 PolarHBondContact OH-NH1 3.37Å; Y755-S907 PolarHBondContact OH-O 2.83Å; Y755-L908 HydrophobicContact CE1-CD2 3.98Å; Y755-L908 HydrophobicContact CE2-CD2 4.17Å; Y755-L908 WeakPolarHBondContact OH-CD2 3.44Å; Y755-L908 WeakPolarHBondContact OH-CG 3.39Å; Y755-W911 HydrophobicContact CD2-CE3 4.22Å; Y755-W911 HydrophobicContact CD2-CZ3 4.27Å
756	H	87.2	Confident	91.8	Very high	142 Å²	142	43.7 Å²	43.7	66%	0.657	22%	0.215	S	C	*	.	H	α-helix	trans	-82.1	-29.2	-177.5	-72.2	-65.6	0	0	0	113.6	K752 I753 P758	K752-H756 PolarHBondContact O-CD2 3.18Å; K752-H756 PolarHBondContact O-N 2.64Å; I753-H756 PolarHBondContact O-N 2.97Å; H756-P758 WeakPolarHBondContact O-CD 3.38Å
757	N	89.5	Confident	91.2	Very high	42 Å²	42	44.7 Å²	44.7	23%	0.225	22%	0.219	C	C	.	.	S	Bend	trans	-82	115	173.5	-178	-37.4	0	0	0	110.2	I753 I759 L760 R761	I753-N757 VanDerWaalsContact O-CB 3.32Å; I753-N757 WeakPolarHBondContact O-CB 3.26Å; I753-N757 PolarHBondContact O-N 3.26Å; N757-I759 VanDerWaalsContact C-N 3.25Å; N757-I759 PolarHBondContact O-N 2.74Å; N757-I759 WeakPolarHBondContact OD1-CB 3.4Å; N757-I759 PolarHBondContact OD1-N 3.02Å; N757-L760 HydrophobicContact CB-CB 4.09Å; N757-L760 HydrophobicContact CB-CD1 3.87Å; N757-L760 HydrophobicContact CB-CG 3.98Å; N757-L760 PolarHBondContact O-N 2.77Å; N757-L760 PolarHBondContact OD1-N 3.17Å; N757-R761 PolarHBondContact O-N 3.44Å
758	P	90.9	Very high	90.3	Very high	87 Å²	87	45.9 Å²	45.9	57%	0.565	23%	0.23	S	C	*	.	H	α-helix	trans	-60.9	-31	-174.6	-24.8	35.4	0	0	0	114.2	H756 N762	H756-P758 WeakPolarHBondContact O-CD 3.38Å; P758-N762 VanDerWaalsContact O-CB 3.28Å; P758-N762 WeakPolarHBondContact O-CB 3.21Å; P758-N762 PolarHBondContact O-N 3.21Å; P758-N762 PolarHBondContact O-ND2 3.21Å
759	I	91.4	Very high	89.3	Confident	58 Å²	58	49.3 Å²	49.3	30%	0.297	24%	0.244	S	C	.	.	H	α-helix	trans	-72.5	-42.8	-178.5	-57.5	176.8	0	0	0	109.9	N757 F763 F940 I942	N757-I759 VanDerWaalsContact C-N 3.25Å; N757-I759 PolarHBondContact O-N 2.74Å; N757-I759 WeakPolarHBondContact OD1-CB 3.4Å; N757-I759 PolarHBondContact OD1-N 3.02Å; I759-F763 WeakPolarHBondContact O-CB 3.48Å; I759-F763 PolarHBondContact O-N 2.88Å; I759-F940 HydrophobicContact CG2-CB 4.49Å; I759-F940 HydrophobicContact CG2-CD1 4.38Å; I759-F940 HydrophobicContact CG2-CD2 3.42Å; I759-F940 VanDerWaalsContact CG2-CD2 3.42Å; I759-F940 HydrophobicContact CG2-CE2 3.59Å; I759-F940 HydrophobicContact CG2-CG 3.86Å; I759-F940 HydrophobicContact CG2-CZ 4.15Å; I759-I942 HydrophobicContact CD1-CD1 3.31Å
760	L	92.4	Very high	88.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-69.6	-38.1	176.1	-60.2	-178.8	0	0	0	111.8	I753 F754 N757 F763 V764 E933 I936 L937	I753-L760 HydrophobicContact CG2-CD1 4.25Å; F754-L760 HydrophobicContact CB-CB 4.27Å; F754-L760 HydrophobicContact CD1-CB 3.71Å; F754-L760 HydrophobicContact CD1-CD1 4.45Å; F754-L760 HydrophobicContact CD1-CG 4.45Å; F754-L760 HydrophobicContact CD2-CD1 3.93Å; F754-L760 HydrophobicContact CE1-CB 4.14Å; F754-L760 HydrophobicContact CE1-CD2 4.09Å; F754-L760 HydrophobicContact CE1-CG 4.47Å; F754-L760 HydrophobicContact CE2-CD1 3.99Å; F754-L760 HydrophobicContact CG-CB 3.94Å; F754-L760 HydrophobicContact CG-CD1 4.18Å; F754-L760 HydrophobicContact CZ-CD1 4.28Å; F754-L760 HydrophobicContact CZ-CD2 4.17Å; F754-L760 CarbonylContact O-C 3.51Å; N757-L760 HydrophobicContact CB-CB 4.09Å; N757-L760 HydrophobicContact CB-CD1 3.87Å; N757-L760 HydrophobicContact CB-CG 3.98Å; N757-L760 PolarHBondContact O-N 2.77Å; N757-L760 PolarHBondContact OD1-N 3.17Å; L760-F763 PolarHBondContact O-N 3.03Å; L760-V764 WeakPolarHBondContact O-CG2 3.39Å; L760-V764 PolarHBondContact O-N 3.29Å; L760-E933 HydrophobicContact CD1-CG 3.85Å; L760-I936 HydrophobicContact CD2-CB 4.16Å; L760-I936 HydrophobicContact CD2-CG2 3.68Å; L760-L937 HydrophobicContact CD2-CD2 4.26Å; L760-L937 HydrophobicContact CD2-CG 4.4Å
761	R	91.6	Very high	87.1	Confident	40 Å²	40	54.5 Å²	54.5	15%	0.151	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-48	173.4	-178	177.1	175.4	153.1	-1.3	111.2	F754 Y755 N757 F763 V764 N765 S907 E910 W911	F754-R761 VanDerWaalsContact O-CA 3.26Å; F754-R761 WeakPolarHBondContact O-CA 3.47Å; F754-R761 WeakPolarHBondContact O-CB 3.44Å; F754-R761 PolarHBondContact O-N 2.98Å; Y755-R761 PolarHBondContact OH-NH1 3.37Å; N757-R761 PolarHBondContact O-N 3.44Å; R761-F763 PolarHBondContact O-N 3.01Å; R761-V764 PolarHBondContact O-N 2.88Å; R761-N765 WeakPolarHBondContact O-CB 3.38Å; R761-N765 PolarHBondContact O-N 2.9Å; R761-S907 PolarHBondContact NH2-O 3.37Å; R761-E910 IonicContact CZ-OE2 3.13Å; R761-E910 IonicContact NE-OE2 3.83Å; R761-E910 PolarHBondContact NE-OE2 2.9Å; R761-E910 IonicContact NH2-OE2 2.98Å; R761-E910 PolarHBondContact NH2-OE2 2.84Å; R761-W911 HydrophobicContact CB-CZ2 4.45Å; R761-W911 HydrophobicContact CG-CH2 4.29Å; R761-W911 HydrophobicContact CG-CZ2 3.9Å
762	N	90.2	Very high	85.2	Confident	90 Å²	90	57 Å²	57	48%	0.481	29%	0.29	S	S	.	.	H	α-helix	trans	-63.6	-41	177.8	-72.7	-16.1	0	0	0	112	P758 V764 N765 D766	P758-N762 VanDerWaalsContact O-CB 3.28Å; P758-N762 WeakPolarHBondContact O-CB 3.21Å; P758-N762 PolarHBondContact O-N 3.21Å; P758-N762 PolarHBondContact O-ND2 3.21Å; N762-V764 PolarHBondContact O-N 2.78Å; N762-N765 PolarHBondContact O-N 3.5Å; N762-D766 WeakPolarHBondContact O-CB 3.32Å; N762-D766 PolarHBondContact O-N 3.19Å
763	F	92.8	Very high	83	Confident	49 Å²	49	53.4 Å²	53.4	22%	0.215	28%	0.283	C	S	.	.	H	α-helix	trans	-56.6	-47	173	172.9	-89.6	0	0	0	112.2	I759 L760 R761 D766 E767 I936	I759-F763 WeakPolarHBondContact O-CB 3.48Å; I759-F763 PolarHBondContact O-N 2.88Å; L760-F763 PolarHBondContact O-N 3.03Å; R761-F763 PolarHBondContact O-N 3.01Å; F763-D766 PolarHBondContact O-N 2.99Å; F763-E767 WeakPolarHBondContact O-CB 3.48Å; F763-E767 PolarHBondContact O-N 2.69Å; F763-I936 HydrophobicContact CB-CG2 4.44Å; F763-I936 HydrophobicContact CD1-CD1 3.74Å; F763-I936 HydrophobicContact CD2-CD1 4.48Å; F763-I936 HydrophobicContact CD2-CG1 4.47Å; F763-I936 HydrophobicContact CD2-CG2 4.17Å; F763-I936 HydrophobicContact CE1-CD1 3.51Å; F763-I936 HydrophobicContact CE1-CG1 4.31Å; F763-I936 HydrophobicContact CE2-CD1 4.28Å; F763-I936 HydrophobicContact CE2-CG1 4.21Å; F763-I936 HydrophobicContact CG-CD1 4.24Å; F763-I936 HydrophobicContact CG-CG2 4.17Å; F763-I936 HydrophobicContact CZ-CD1 3.81Å; F763-I936 HydrophobicContact CZ-CG1 4.14Å
764	V	91.1	Very high	81.1	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.9	-42.6	178.2	173.6	0	0	0	0	111.4	F754 L760 R761 N762 D766 E767 A768 W911 A924 C927 I928	F754-V764 HydrophobicContact CD1-CG2 3.68Å; F754-V764 HydrophobicContact CE1-CG2 4.31Å; L760-V764 WeakPolarHBondContact O-CG2 3.39Å; L760-V764 PolarHBondContact O-N 3.29Å; R761-V764 PolarHBondContact O-N 2.88Å; N762-V764 PolarHBondContact O-N 2.78Å; V764-D766 VanDerWaalsContact C-N 3.32Å; V764-D766 PolarHBondContact O-N 3.29Å; V764-E767 PolarHBondContact O-N 2.94Å; V764-A768 VanDerWaalsContact O-CB 3.25Å; V764-A768 WeakPolarHBondContact O-CB 3.22Å; V764-A768 PolarHBondContact O-N 3.49Å; V764-W911 HydrophobicContact CB-CH2 3.94Å; V764-W911 HydrophobicContact CB-CZ2 3.63Å; V764-W911 HydrophobicContact CG1-CH2 3.89Å; V764-W911 HydrophobicContact CG1-CZ2 3.51Å; V764-W911 HydrophobicContact CG2-CH2 4.34Å; V764-A924 HydrophobicContact CG1-CB 4.01Å; V764-C927 HydrophobicContact CG1-CB 4.45Å; V764-I928 HydrophobicContact CG1-CD1 4.35Å; V764-I928 HydrophobicContact CG1-CG1 4.35Å; V764-I928 HydrophobicContact CG2-CD1 4.17Å; V764-I928 HydrophobicContact CG2-CG1 3.6Å
765	N	88.2	Confident	78.6	Confident	14 Å²	14	61.6 Å²	61.6	8%	0.075	32%	0.317	C	S	.	.	H	α-helix	trans	-56.1	-44.9	174.7	-84.5	-15.4	0	0	0	111.7	R761 N762 K769 E910 W911	R761-N765 WeakPolarHBondContact O-CB 3.38Å; R761-N765 PolarHBondContact O-N 2.9Å; N762-N765 PolarHBondContact O-N 3.5Å; N765-K769 WeakPolarHBondContact O-CE 3.45Å; N765-K769 WeakPolarHBondContact O-CG 3.42Å; N765-K769 PolarHBondContact O-N 3.02Å; N765-E910 PolarHBondContact ND2-OE1 2.98Å; N765-E910 PolarHBondContact ND2-OE2 2.65Å; N765-W911 PolarHBondContact OD1-NE1 2.57Å
766	D	87.4	Confident	76	Confident	73 Å²	73	62.9 Å²	62.9	39%	0.39	33%	0.332	S	S	.	.	H	α-helix	trans	-76.8	-33.6	-178.1	-71.3	-16.3	0	0	0	113	N762 F763 V764 K769 K770	N762-D766 WeakPolarHBondContact O-CB 3.32Å; N762-D766 PolarHBondContact O-N 3.19Å; F763-D766 PolarHBondContact O-N 2.99Å; V764-D766 VanDerWaalsContact C-N 3.32Å; V764-D766 PolarHBondContact O-N 3.29Å; D766-K769 PolarHBondContact O-N 2.85Å; D766-K769 IonicContact OD1-NZ 2.98Å; D766-K769 PolarHBondContact OD1-NZ 3.08Å; D766-K770 VanDerWaalsContact O-CE 3.27Å; D766-K770 WeakPolarHBondContact O-CE 3.44Å; D766-K770 WeakPolarHBondContact O-CG 3.46Å; D766-K770 PolarHBondContact O-N 3.03Å
767	E	85.3	Confident	73.5	Confident	21 Å²	21	62 Å²	62	10%	0.098	33%	0.327	C	S	.	.	H	α-helix	trans	-71.4	-34.6	173.4	-158.6	58.9	-138.4	0	0	112	P286 F763 V764 K770 Q771	P286-E767 WeakPolarHBondContact CG-OE2 3.3Å; F763-E767 WeakPolarHBondContact O-CB 3.48Å; F763-E767 PolarHBondContact O-N 2.69Å; V764-E767 PolarHBondContact O-N 2.94Å; E767-K770 PolarHBondContact O-N 3.23Å; E767-K770 WeakPolarHBondContact OE2-CE 3.46Å; E767-K770 IonicContact OE2-NZ 2.68Å; E767-K770 PolarHBondContact OE2-NZ 3.33Å; E767-Q771 WeakPolarHBondContact O-CG 3.48Å; E767-Q771 PolarHBondContact O-N 2.94Å
768	A	77.8	Confident	70.8	Confident	26 Å²	26	66.6 Å²	66.6	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-62.8	-45.1	170.4	0	0	0	0	0	111.6	V764 K770 Q771 A772	V764-A768 VanDerWaalsContact O-CB 3.25Å; V764-A768 WeakPolarHBondContact O-CB 3.22Å; V764-A768 PolarHBondContact O-N 3.49Å; A768-K770 VanDerWaalsContact C-N 3.33Å; A768-K770 PolarHBondContact O-N 3.29Å; A768-Q771 PolarHBondContact O-N 3.35Å; A768-Q771 VanDerWaalsContact O-N 3.16Å; A768-A772 PolarHBondContact O-N 2.87Å
769	K	74.3	Confident	67.9	Low	127 Å²	127	67.6 Å²	67.6	55%	0.552	36%	0.355	S	S	*	.	H	α-helix	trans	-57.7	-42.2	172.5	-70.3	165.3	-152.9	162.9	0	112.1	N765 D766 Q771 A772 G773	N765-K769 WeakPolarHBondContact O-CE 3.45Å; N765-K769 WeakPolarHBondContact O-CG 3.42Å; N765-K769 PolarHBondContact O-N 3.02Å; D766-K769 PolarHBondContact O-N 2.85Å; D766-K769 IonicContact OD1-NZ 2.98Å; D766-K769 PolarHBondContact OD1-NZ 3.08Å; K769-Q771 VanDerWaalsContact C-N 3.35Å; K769-Q771 PolarHBondContact O-N 3.18Å; K769-A772 PolarHBondContact O-N 2.97Å; K769-G773 PolarHBondContact O-N 3.06Å
770	K	75.8	Confident	64.8	Low	83 Å²	83	71.1 Å²	71.1	36%	0.361	38%	0.379	S	S	.	.	H	α-helix	trans	-62.9	-38.1	175.6	-74.9	170.9	-124.5	162.2	0	112.5	D766 E767 A768 G773 K774	D766-K770 VanDerWaalsContact O-CE 3.27Å; D766-K770 WeakPolarHBondContact O-CE 3.44Å; D766-K770 WeakPolarHBondContact O-CG 3.46Å; D766-K770 PolarHBondContact O-N 3.03Å; E767-K770 PolarHBondContact O-N 3.23Å; E767-K770 WeakPolarHBondContact OE2-CE 3.46Å; E767-K770 IonicContact OE2-NZ 2.68Å; E767-K770 PolarHBondContact OE2-NZ 3.33Å; A768-K770 VanDerWaalsContact C-N 3.33Å; A768-K770 PolarHBondContact O-N 3.29Å; K770-G773 PolarHBondContact O-N 3.07Å; K770-K774 PolarHBondContact O-N 3.33Å
771	Q	63.4	Low	61.7	Low	64 Å²	64	77.5 Å²	77.5	30%	0.299	42%	0.419	S	S	.	.	H	α-helix	trans	-71.5	-42.3	176.6	-70	-179.8	37.5	0	0	111.9	E767 A768 K769 G773 K774 F775	E767-Q771 WeakPolarHBondContact O-CG 3.48Å; E767-Q771 PolarHBondContact O-N 2.94Å; A768-Q771 PolarHBondContact O-N 3.35Å; A768-Q771 VanDerWaalsContact O-N 3.16Å; K769-Q771 VanDerWaalsContact C-N 3.35Å; K769-Q771 PolarHBondContact O-N 3.18Å; Q771-G773 VanDerWaalsContact C-N 3.26Å; Q771-G773 PolarHBondContact O-N 3.16Å; Q771-K774 WeakPolarHBondContact O-CB 3.36Å; Q771-K774 PolarHBondContact O-N 3.03Å; Q771-F775 WeakPolarHBondContact O-CD2 3.47Å; Q771-F775 PolarHBondContact O-N 3.26Å
772	A	56.4	Low	58.7	Low	65 Å²	65	84.5 Å²	84.5	54%	0.537	45%	0.453	S	S	.	.	H	α-helix	trans	-57.7	-40	170.4	0	0	0	0	0	111.9	A768 K769 K774 F775 S776	A768-A772 PolarHBondContact O-N 2.87Å; K769-A772 PolarHBondContact O-N 2.97Å; A772-K774 VanDerWaalsContact C-N 3.29Å; A772-K774 PolarHBondContact O-N 3.21Å; A772-F775 PolarHBondContact O-N 2.94Å; A772-F775 VanDerWaalsContact O-N 3.12Å; A772-S776 PolarHBondContact O-N 2.98Å
773	G	45.7	Very low	55.5	Low	32 Å²	32	87.6 Å²	87.6	33%	0.33	46%	0.458	S	S	.	.	H	α-helix	trans	-64.7	-22.2	174.6	0	0	0	0	0	115.5	K769 K770 Q771 S776	K769-G773 PolarHBondContact O-N 3.06Å; K770-G773 PolarHBondContact O-N 3.07Å; Q771-G773 VanDerWaalsContact C-N 3.26Å; Q771-G773 PolarHBondContact O-N 3.16Å; G773-S776 PolarHBondContact O-OG 2.84Å
774	K	49.1	Very low	52.4	Low	77 Å²	77	90.8 Å²	90.8	34%	0.335	48%	0.483	S	S	.	.	H	α-helix	trans	-72.7	-40.2	169	-78.7	-177.7	174	175	0	111.4	W285 K770 Q771 A772 K777	W285-K774 HydrophobicContact CZ2-CD 4.3Å; W285-K774 HydrophobicContact CZ2-CG 4.05Å; W285-K774 VanDerWaalsContact NE1-CE 3.35Å; K770-K774 PolarHBondContact O-N 3.33Å; Q771-K774 WeakPolarHBondContact O-CB 3.36Å; Q771-K774 PolarHBondContact O-N 3.03Å; A772-K774 VanDerWaalsContact C-N 3.29Å; A772-K774 PolarHBondContact O-N 3.21Å; K774-K777 PolarHBondContact O-N 3.05Å
775	F	40.6	Very low	49.3	Very low	159 Å²	159	93.1 Å²	93.1	70%	0.697	50%	0.503	S	S	*	.	H	α-helix	trans	-73.8	-33.9	-179.5	-79.4	-79.9	0	0	0	113.4	Q771 A772 K777 L778 T779	Q771-F775 WeakPolarHBondContact O-CD2 3.47Å; Q771-F775 PolarHBondContact O-N 3.26Å; A772-F775 PolarHBondContact O-N 2.94Å; A772-F775 VanDerWaalsContact O-N 3.12Å; F775-K777 VanDerWaalsContact C-N 3.31Å; F775-K777 PolarHBondContact O-N 3.3Å; F775-L778 PolarHBondContact O-N 2.91Å; F775-L778 VanDerWaalsContact O-N 3.15Å; F775-T779 PolarHBondContact O-OG1 3.4Å
776	S	34.1	Very low	46.3	Very low	71 Å²	71	100.8 Å²	100.8	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-68.9	-26.9	174.2	61	0	0	0	0	113.4	A772 G773 L778 T779	A772-S776 PolarHBondContact O-N 2.98Å; G773-S776 PolarHBondContact O-OG 2.84Å; S776-L778 VanDerWaalsContact C-N 3.32Å; S776-T779 PolarHBondContact O-OG1 3.15Å
777	K	36.1	Very low	43.2	Very low	124 Å²	124	102 Å²	102	54%	0.539	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-4.5	170.8	-77.2	-168.1	175.5	-174.5	0	114.5	K774 F775	K774-K777 PolarHBondContact O-N 3.05Å; F775-K777 VanDerWaalsContact C-N 3.31Å; F775-K777 PolarHBondContact O-N 3.3Å
778	L	33.1	Very low	40.5	Very low	138 Å²	138	106.3 Å²	106.3	72%	0.723	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	6	173.2	-99.1	90.1	0	0	0	114	F775 S776	F775-L778 PolarHBondContact O-N 2.91Å; F775-L778 VanDerWaalsContact O-N 3.15Å; S776-L778 VanDerWaalsContact C-N 3.32Å
779	T	28.1	Very low	37.9	Very low	108 Å²	108	111.8 Å²	111.8	66%	0.663	60%	0.595	S	S	*	*			trans	-120.8	50.3	-174.6	37.3	0	0	0	0	112.8	F775 S776	F775-T779 PolarHBondContact O-OG1 3.4Å; S776-T779 PolarHBondContact O-OG1 3.15Å
780	T	26.7	Very low	35.5	Very low	132 Å²	132	110.5 Å²	110.5	81%	0.81	60%	0.602	S	S	*	*			trans	-141.1	50.4	169.2	-45.8	0	0	0	0	112.1
781	T	28.2	Very low	33.2	Very low	134 Å²	134	112.1 Å²	112.1	82%	0.822	61%	0.614	S	S	*	*	S	Bend	trans	-135.1	146.4	159	33.1	0	0	0	0	108.9
782	Q	28.2	Very low	31.5	Very low	187 Å²	187	113.6 Å²	113.6	87%	0.874	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-58.4	137.6	-159.8	-66.2	160.9	-26.7	0	0	114.9
783	R	23.2	Very low	30	Very low	156 Å²	156	118.8 Å²	118.8	59%	0.589	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-72.3	134.3	140.1	-87.4	179.7	160.2	-145.9	-3.5	108.3	E1599	R783-E1599 IonicContact CZ-OE1 3.85Å; R783-E1599 VanDerWaalsContact CZ-OE1 3.22Å; R783-E1599 IonicContact CZ-OE2 2.66Å; R783-E1599 IonicContact NH1-OE1 2.65Å; R783-E1599 PolarHBondContact NH1-OE1 2.69Å; R783-E1599 IonicContact NH1-OE2 2.7Å; R783-E1599 PolarHBondContact NH1-OE2 3.02Å; R783-E1599 IonicContact NH2-OE1 3.74Å; R783-E1599 PolarHBondContact NH2-OE1 3.46Å; R783-E1599 IonicContact NH2-OE2 2.68Å
784	P	27.8	Very low	29.1	Very low	115 Å²	115	120.4 Å²	120.4	75%	0.747	66%	0.662	S	S	*	*	P	Polyproline II helix		-93.2	146.3	123.4	32	-30.3	0	0	0	109.1
785	A	25.2	Very low	28.1	Very low	49 Å²	49	117.7 Å²	117.7	41%	0.405	66%	0.656	S	S	.	*	P	Polyproline II helix	trans	-79.3	164.1	167	0	0	0	0	0	110.2
786	W	25.1	Very low	27.3	Very low	175 Å²	175	113.9 Å²	113.9	66%	0.663	65%	0.648	S	S	*	*				174.6	168.6	106.6	-92.3	93.9	0	0	0	110.1	I1597	W786-I1597 HydrophobicContact CH2-CB 3.84Å; W786-I1597 HydrophobicContact CH2-CD1 3.95Å; W786-I1597 HydrophobicContact CH2-CG1 4.25Å; W786-I1597 HydrophobicContact CH2-CG2 4.43Å; W786-I1597 HydrophobicContact CZ3-CB 3.79Å; W786-I1597 HydrophobicContact CZ3-CD1 4.35Å; W786-I1597 HydrophobicContact CZ3-CG2 3.93Å
787	Q	23.6	Very low	26.7	Very low	100 Å²	100	114.1 Å²	114.1	47%	0.467	64%	0.644	S	S	.	*			trans	-70.4	160	-166.3	-87.1	167.2	-41	0	0	115.3	E1596 P1598	Q787-E1596 PolarHBondContact NE2-OE1 3.2Å; Q787-P1598 HydrophobicContact CG-CG 4.04Å
788	P	27.5	Very low	26.2	Very low	111 Å²	111	115.8 Å²	115.8	72%	0.721	66%	0.655	S	S	*	*			trans	-94.3	147.7	-178.4	36.4	-34	0	0	0	114
789	T	22.9	Very low	25.7	Very low	141 Å²	141	113.7 Å²	113.7	87%	0.865	65%	0.653	S	S	*	*			trans	-169	165.4	137.9	8.1	0	0	0	0	113.6
790	S	24.4	Very low	25.5	Very low	100 Å²	100	117.7 Å²	117.7	70%	0.699	66%	0.664	S	S	*	*			trans	60.4	104.1	163.2	54.4	0	0	0	0	120.8
791	D	27	Very low	25.3	Very low	116 Å²	116	119.7 Å²	119.7	62%	0.62	66%	0.664	S	S	*	*				75.4	97	116.8	-58.5	-10.7	0	0	0	122.9
792	V	27.5	Very low	25.2	Very low	95 Å²	95	121.5 Å²	121.5	58%	0.576	66%	0.663	S	S	*	*				57.6	104.3	113.4	178.9	0	0	0	0	118.7
793	L	25.5	Very low	25	Very low	175 Å²	175	117.9 Å²	117.9	92%	0.916	65%	0.654	S	S	*	*			trans	60.8	145.4	149.5	-57.9	170.3	0	0	0	117.7
794	G	26.6	Very low	25	Very low	66 Å²	66	116.9 Å²	116.9	68%	0.68	66%	0.66	S	S	*	*			cis	175.3	74.6	1.9	0	0	0	0	0	110.9
795	G	28.8	Very low	24.9	Very low	20 Å²	20	115.5 Å²	115.5	21%	0.206	65%	0.649	C	S	.	*			trans	-115.9	0	163.3	0	0	0	0	0	130.1	Q300 F301	Q300-G795 VanDerWaalsContact CG-O 3.22Å; Q300-G795 WeakPolarHBondContact CG-O 3.49Å; Q300-G795 PolarHBondContact NE2-O 3.05Å; F301-G795 WeakPolarHBondContact CD1-O 3.26Å; F301-G795 WeakPolarHBondContact CD2-O 3.44Å; F301-G795 WeakPolarHBondContact CE1-O 3.27Å; F301-G795 WeakPolarHBondContact CE2-O 3.41Å; F301-G795 WeakPolarHBondContact CG-O 3.46Å; F301-G795 WeakPolarHBondContact CZ-O 3.48Å
796	C	22.7	Very low	25	Very low	78 Å²	78	117.2 Å²	117.2	53%	0.527	65%	0.652	S	S	.	*				0	143.1	0	-56.5	0	0	0	0	113.7	F301 S302	F301-C796 VanDerWaalsContact CB-CA 3.48Å; F301-C796 HydrophobicContact CD1-CB 4.33Å; F301-C796 WeakPolarHBondContact CD1-O 3.5Å; F301-C796 HydrophobicContact CG-CB 4.17Å; S302-C796 PolarHBondContact OG-SG 2.98Å; S302-C796 VanDerWaalsContact OG-SG 3.35Å
797	D	22.7	Very low	25.1	Very low	76 Å²	76	113.6 Å²	113.6	41%	0.406	65%	0.648	S	S	.	*			cis	-158.2	-174.2	5.7	-131.9	-46.3	0	0	0	112.3	F301 S302 Q303	F301-D797 VanDerWaalsContact CD1-N 3.35Å; S302-D797 VanDerWaalsContact CB-CG 3.45Å; S302-D797 WeakPolarHBondContact CB-OD1 3.43Å; S302-D797 WeakPolarHBondContact CB-OD2 3.43Å; S302-D797 PolarHBondContact OG-OD2 3.45Å; Q303-D797 PolarHBondContact NE2-OD2 3.23Å
798	M	25.2	Very low	25.2	Very low	159 Å²	159	113.2 Å²	113.2	78%	0.783	65%	0.649	S	S	*	*			trans	90.7	177	160.5	-52.5	-53.6	-68.6	0	0	121.3
799	S	21.8	Very low	25	Very low	95 Å²	95	113.1 Å²	113.1	66%	0.664	65%	0.651	S	S	*	*			trans	-147.9	179.8	-149.9	57.3	0	0	0	0	114.6
800	E	25.7	Very low	25.1	Very low	192 Å²	192	112.5 Å²	112.5	90%	0.897	64%	0.641	S	S	*	*			trans	88.2	163.2	167.1	-61	-168.6	151.3	0	0	119
801	E	22.1	Very low	25.1	Very low	174 Å²	174	113.9 Å²	113.9	81%	0.813	65%	0.645	S	S	*	*			trans	-111.6	-175.6	-152.8	-58.3	178.1	113.3	0	0	114.7
802	Q	24.6	Very low	25.1	Very low	171 Å²	171	114.2 Å²	114.2	80%	0.799	65%	0.652	S	S	*	*			trans	92.1	149.1	155	-49.9	-166	6.7	0	0	119
803	V	24.7	Very low	24.9	Very low	112 Å²	112	114 Å²	114	68%	0.679	65%	0.654	S	S	*	*			cis	-160.6	141.1	-22.9	133.4	0	0	0	0	109.3
804	N	24.2	Very low	25	Very low	135 Å²	135	111.3 Å²	111.3	72%	0.722	65%	0.646	S	S	*	*			trans	40.8	136.7	153.9	-66.6	-11.1	0	0	0	126.6
805	T	24.8	Very low	25	Very low	86 Å²	86	113.6 Å²	113.6	53%	0.528	65%	0.647	S	S	.	*			trans	73.1	100.2	133.1	55.1	0	0	0	0	124.4	F271	F271-T805 WeakPolarHBondContact O-CG2 3.47Å
806	N	26.7	Very low	24.8	Very low	85 Å²	85	121.1 Å²	121.1	46%	0.455	68%	0.677	S	S	.	*				48.5	133.6	112.3	-71.8	-67	0	0	0	123.9	S272	S272-N806 PolarHBondContact O-ND2 3.37Å
807	V	28.1	Very low	25.2	Very low	98 Å²	98	121.9 Å²	121.9	59%	0.594	68%	0.68	S	S	*	*			trans	-167.1	165.1	134.4	131.6	0	0	0	0	112.7	F271	F271-V807 HydrophobicContact CD1-CG2 3.54Å; F271-V807 HydrophobicContact CE1-CG2 3.66Å; F271-V807 HydrophobicContact CG-CG2 4.5Å
808	L	24.7	Very low	25.4	Very low	93 Å²	93	124.9 Å²	124.9	49%	0.487	70%	0.702	S	S	.	*			trans	-57.7	176	-178	-50.7	108	0	0	0	115.1	I810	L808-I810 HydrophobicContact CD2-CD1 4.46Å
809	S	23.4	Very low	25.4	Very low	108 Å²	108	121.4 Å²	121.4	76%	0.755	70%	0.698	S	S	*	*			cis	-167.9	179.5	26	-19.4	0	0	0	0	108.6
810	I	25.1	Very low	25.5	Very low	129 Å²	129	125.6 Å²	125.6	66%	0.662	71%	0.71	S	S	*	*			cis	166.4	129.5	-18	-95	173.3	0	0	0	107.9	L808	L808-I810 HydrophobicContact CD2-CD1 4.46Å
811	T	24.5	Very low	25.5	Very low	128 Å²	128	124.8 Å²	124.8	79%	0.785	71%	0.711	S	S	*	*			trans	62	153.8	163.5	54.1	0	0	0	0	121.2
812	T	27.4	Very low	25.7	Very low	123 Å²	123	121.1 Å²	121.1	76%	0.755	70%	0.704	S	S	*	*			cis	-127.5	-179.5	14.2	52.4	0	0	0	0	112.6
813	S	24.5	Very low	25.8	Very low	90 Å²	90	117.2 Å²	117.2	63%	0.629	70%	0.701	S	S	*	*			cis	87.9	136.7	6	76.1	0	0	0	0	118.8
814	T	26.2	Very low	25.8	Very low	119 Å²	119	117.6 Å²	117.6	73%	0.73	70%	0.699	S	S	*	*			cis	-170.1	170.4	-1.1	9.6	0	0	0	0	114.2
815	T	27.5	Very low	25.8	Very low	115 Å²	115	116.6 Å²	116.6	71%	0.706	69%	0.693	S	S	*	*			trans	65.8	123.4	152.8	43.5	0	0	0	0	121.7
816	Q	23.6	Very low	25.8	Very low	178 Å²	178	120.3 Å²	120.3	83%	0.832	71%	0.705	S	S	*	*				90.2	161.9	65.6	-91.3	-167	-14.9	0	0	115.1
817	P	32.2	Very low	25.6	Very low	93 Å²	93	121.5 Å²	121.5	60%	0.604	72%	0.715	S	S	*	*			cis	-141.8	177.2	-31.6	39.8	-21.6	0	0	0	116.4
818	T	26.5	Very low	25.4	Very low	140 Å²	140	124 Å²	124	86%	0.859	72%	0.722	S	S	*	*			trans	60.7	150.9	156.4	44	0	0	0	0	121
819	A	26.5	Very low	25.4	Very low	86 Å²	86	126 Å²	126	71%	0.711	73%	0.732	S	S	*	*			cis	-162.2	164	-13.8	0	0	0	0	0	111.8
820	M	23.3	Very low	25.3	Very low	183 Å²	183	128.8 Å²	128.8	90%	0.901	73%	0.733	S	S	*	*			trans	46.9	104	164.9	-60.8	-172.1	89.4	0	0	120.3
821	L	26	Very low	25.1	Very low	175 Å²	175	130 Å²	130	92%	0.916	74%	0.736	S	S	*	*				-158.9	167.5	107.3	-109.6	168.4	0	0	0	110.9
822	S	24.8	Very low	24.9	Very low	96 Å²	96	130.6 Å²	130.6	67%	0.671	73%	0.73	S	S	*	*			trans	-105.7	145	-163.4	56.4	0	0	0	0	114.6
823	A	26.3	Very low	24.7	Very low	89 Å²	89	130.7 Å²	130.7	74%	0.736	73%	0.731	S	S	*	*			trans	63.4	137.6	152.8	0	0	0	0	0	117.7
824	L	25.4	Very low	25.1	Very low	121 Å²	121	132.1 Å²	132.1	63%	0.634	74%	0.738	S	S	*	*			cis	-151.7	171.4	-2.5	-103.7	156.9	0	0	0	107.6
825	D	24.8	Very low	25.5	Very low	114 Å²	114	131.8 Å²	131.8	61%	0.61	74%	0.738	S	S	*	*			trans	21.5	136.5	149.8	-54.6	-22.1	0	0	0	119.2	R2269	D825-R2269 IonicContact OD2-NH1 3Å
826	E	24.5	Very low	25.3	Very low	164 Å²	164	131.4 Å²	131.4	77%	0.766	74%	0.74	S	S	*	*			cis	-166.4	145.2	30.3	-141.7	176.4	-144.4	0	0	112.2
827	T	23	Very low	25.2	Very low	109 Å²	109	129.4 Å²	129.4	67%	0.669	74%	0.735	S	S	*	*			trans	57.5	132.6	165.3	69.1	0	0	0	0	121.1
828	M	23.1	Very low	24.8	Very low	151 Å²	151	131.9 Å²	131.9	74%	0.744	74%	0.742	S	S	*	*				162	138.2	118.6	-84.6	-80.4	94.7	0	0	113.6
829	L	25.2	Very low	24.8	Very low	134 Å²	134	132.1 Å²	132.1	70%	0.702	74%	0.736	S	S	*	*			trans	37.4	120.5	144.5	-60.4	170.2	0	0	0	122.8
830	E	21.1	Very low	24.7	Very low	167 Å²	167	135.7 Å²	135.7	78%	0.78	74%	0.74	S	S	*	*				32	127.1	125.5	-74.2	178.6	136.4	0	0	123.6
831	E	20.7	Very low	24.6	Very low	155 Å²	155	131.6 Å²	131.6	72%	0.724	73%	0.73	S	S	*	*			trans	83.7	120.3	133.7	-68.4	-124.2	98.6	0	0	124.1
832	Q	21.1	Very low	24.5	Very low	140 Å²	140	128 Å²	128	65%	0.654	72%	0.719	S	S	*	*			trans	85.4	107.8	134.1	-70	-175.1	32.1	0	0	124.7
833	T	22.3	Very low	24.6	Very low	125 Å²	125	130.2 Å²	130.2	77%	0.767	72%	0.723	S	S	*	*			trans	91.4	127.8	131.2	59.5	0	0	0	0	123.1
834	P	34.2	Very low	24.6	Very low	121 Å²	121	130.1 Å²	130.1	79%	0.786	72%	0.717	S	S	*	*			trans	-111.1	-156.7	166.5	45.5	-35.9	0	0	0	110.9
835	P	33	Very low	24.4	Very low	112 Å²	112	129.1 Å²	129.1	73%	0.727	72%	0.72	S	S	*	*			cis	-133.5	-161	-8.2	44.9	-26.9	0	0	0	113.9
836	S	23.2	Very low	24.5	Very low	106 Å²	106	130.4 Å²	130.4	74%	0.741	73%	0.727	S	S	*	*			trans	160	120.6	132.2	-67.7	0	0	0	0	116.8
837	D	23.1	Very low	24.7	Very low	137 Å²	137	127.2 Å²	127.2	73%	0.733	72%	0.719	S	S	*	*				55.8	121.6	127.5	-71.1	11.1	0	0	0	128.4
838	I	22.7	Very low	24.7	Very low	145 Å²	145	127.9 Å²	127.9	74%	0.744	73%	0.727	S	S	*	*				77.5	158.8	127.9	-56.5	166.8	0	0	0	119.5
839	I	26.4	Very low	24.8	Very low	144 Å²	144	126.6 Å²	126.6	74%	0.738	72%	0.724	S	S	*	*			trans	88.1	122.3	174.6	-53.6	-172.8	0	0	0	114.6
840	M	25.4	Very low	25	Very low	161 Å²	161	126.2 Å²	126.2	79%	0.793	73%	0.727	S	S	*	*			cis	-157.3	177.1	-10.3	-122.2	177	-167.4	0	0	112.5
841	S	21.1	Very low	25.1	Very low	98 Å²	98	124.6 Å²	124.6	69%	0.685	72%	0.721	S	S	*	*			trans	-38.8	148.2	158	50.6	0	0	0	0	114
842	S	23.7	Very low	25.3	Very low	99 Å²	99	123.8 Å²	123.8	69%	0.692	72%	0.718	S	S	*	*				-173.5	171.3	64.3	36.2	0	0	0	0	108.9
843	D	26.2	Very low	25.3	Very low	143 Å²	143	124.8 Å²	124.8	77%	0.765	72%	0.721	S	S	*	*			cis	-154.6	172.6	30.5	-130.2	-33.3	0	0	0	114.2
844	S	25.5	Very low	25.5	Very low	87 Å²	87	124.6 Å²	124.6	61%	0.608	72%	0.715	S	S	*	*			trans	10.5	115.2	160.7	65.9	0	0	0	0	118.4
845	S	21.8	Very low	25	Very low	99 Å²	99	123.6 Å²	123.6	69%	0.692	71%	0.707	S	S	*	*				46.9	122.5	63.7	84.4	0	0	0	0	115.1
846	D	27.5	Very low	24.5	Very low	142 Å²	142	123.2 Å²	123.2	76%	0.759	71%	0.707	S	S	*	*				-163.5	139.8	120.9	-103	-5.5	0	0	0	113.2
847	V	28.7	Very low	24.7	Very low	97 Å²	97	125.3 Å²	125.3	59%	0.588	71%	0.709	S	S	*	*			trans	41.7	100.3	134.2	-173	0	0	0	0	115.9	D849	V847-D849 HydrophobicContact CG1-CB 3.95Å
848	S	23.2	Very low	24.9	Very low	122 Å²	122	123.4 Å²	123.4	85%	0.853	71%	0.707	S	S	*	*			cis	62.6	50.4	34.7	-43	0	0	0	0	114.8
849	D	24.4	Very low	25.2	Very low	125 Å²	125	121.4 Å²	121.4	67%	0.668	70%	0.704	S	S	*	*			trans	-153.8	152.3	164.7	-112.1	-29.4	0	0	0	108.3	V847	V847-D849 HydrophobicContact CG1-CB 3.95Å
850	V	30.6	Very low	25.1	Very low	125 Å²	125	119 Å²	119	76%	0.758	70%	0.7	S	S	*	*			cis	-123.5	123	5.2	-179.4	0	0	0	0	109.4
851	M	23.2	Very low	25.2	Very low	133 Å²	133	116.6 Å²	116.6	66%	0.655	70%	0.699	S	S	*	*				18	113.5	129.7	-73.8	-79.5	176.9	0	0	116.2
852	M	23.5	Very low	25.4	Very low	138 Å²	138	116.7 Å²	116.7	68%	0.68	70%	0.695	S	S	*	*				77.4	153	89.2	-91.5	-155.3	-167.5	0	0	115.2
853	K	22.4	Very low	25.4	Very low	161 Å²	161	120 Å²	120	70%	0.7	70%	0.699	S	S	*	*			trans	69.5	159.9	154.8	-76.7	166.4	-176.5	173.8	0	116
854	D	24.9	Very low	25.3	Very low	122 Å²	122	119.1 Å²	119.1	65%	0.652	70%	0.7	S	S	*	*			cis	-119.4	117.5	-0.3	-109.7	-46.2	0	0	0	108.3
855	T	24.3	Very low	25.2	Very low	100 Å²	100	120.4 Å²	120.4	61%	0.613	70%	0.704	S	S	*	*				70.8	162.9	101.7	57	0	0	0	0	115.3
856	S	22.2	Very low	25.6	Very low	104 Å²	104	121.7 Å²	121.7	73%	0.727	71%	0.708	S	S	*	*			trans	70	139.2	158.7	66.4	0	0	0	0	117.1
857	L	27.9	Very low	25.3	Very low	149 Å²	149	119.5 Å²	119.5	78%	0.78	70%	0.703	S	S	*	*			cis	-155	157.4	-2.9	-125	167.1	0	0	0	109.9
858	S	26.4	Very low	25.1	Very low	98 Å²	98	120.6 Å²	120.6	69%	0.685	71%	0.71	S	S	*	*			trans	64.7	144.3	152.6	61.9	0	0	0	0	118.8
859	C	30.1	Very low	25.2	Very low	103 Å²	103	120.5 Å²	120.5	70%	0.696	71%	0.705	S	S	*	*			cis	-152.3	154.6	-18.5	-108.6	0	0	0	0	106.1
860	S	24.2	Very low	25.3	Very low	92 Å²	92	122.1 Å²	122.1	64%	0.643	71%	0.71	S	S	*	*				54	134.2	67.4	-30.3	0	0	0	0	112.5
861	S	27.6	Very low	25.1	Very low	111 Å²	111	119.9 Å²	119.9	78%	0.776	70%	0.701	S	S	*	*			cis	-97.6	134.5	2.9	-137.2	0	0	0	0	110.8
862	V	24.4	Very low	25.2	Very low	101 Å²	101	119.4 Å²	119.4	61%	0.612	71%	0.705	S	S	*	*			cis	64	124.1	39.4	176.4	0	0	0	0	112.7
863	H	23.9	Very low	25.3	Very low	167 Å²	167	117.4 Å²	117.4	77%	0.773	70%	0.7	S	S	*	*			trans	-13.4	149	155.8	-49.3	-102.3	0	0	0	117.1
864	T	24.6	Very low	25.4	Very low	126 Å²	126	117.9 Å²	117.9	77%	0.773	70%	0.703	S	S	*	*				-153.5	128.7	108.7	5	0	0	0	0	110.9
865	T	24.5	Very low	25.5	Very low	113 Å²	113	118.1 Å²	118.1	69%	0.693	70%	0.703	S	S	*	*			trans	31.8	144.2	130.8	60.9	0	0	0	0	120
866	T	28.7	Very low	25.5	Very low	127 Å²	127	118.4 Å²	118.4	78%	0.779	70%	0.704	S	S	*	*			cis	-137.8	140.6	21.5	41.1	0	0	0	0	109.3
867	S	22.5	Very low	25.7	Very low	95 Å²	95	118.7 Å²	118.7	66%	0.664	71%	0.706	S	S	*	*			cis	63.5	122.5	24.6	-168.1	0	0	0	0	116.4
868	T	24.4	Very low	25.7	Very low	120 Å²	120	115.7 Å²	115.7	74%	0.736	70%	0.698	S	S	*	*			trans	63.1	136.5	174.6	18.6	0	0	0	0	113.7
869	T	25.5	Very low	25.7	Very low	120 Å²	120	117.8 Å²	117.8	74%	0.736	70%	0.701	S	S	*	*			cis	-138.6	167.4	46.9	49.6	0	0	0	0	112.1
870	M	25.8	Very low	25.4	Very low	159 Å²	159	118.6 Å²	118.6	78%	0.783	70%	0.699	S	S	*	*			cis	-170.7	164.1	-12.5	-105.2	176.5	-179.9	0	0	105.7
871	S	27.1	Very low	25.5	Very low	79 Å²	79	120.4 Å²	120.4	55%	0.552	70%	0.697	S	S	*	*			cis	-149.4	152.2	-2.3	-94.6	0	0	0	0	105.6
872	T	23.8	Very low	25.6	Very low	122 Å²	122	122.4 Å²	122.4	75%	0.748	69%	0.691	S	S	*	*				48.1	148.9	67.5	80.4	0	0	0	0	112.9
873	V	25.3	Very low	25.6	Very low	96 Å²	96	122.1 Å²	122.1	58%	0.582	69%	0.69	S	S	*	*			cis	-145	146.8	18.2	-166	0	0	0	0	106.2
874	F	25.5	Very low	25.7	Very low	171 Å²	171	121.7 Å²	121.7	75%	0.75	69%	0.688	S	S	*	*				174.6	127.8	94.1	-93.8	-82.8	0	0	0	106.9
875	I	26.3	Very low	25.9	Very low	128 Å²	128	122 Å²	122	66%	0.656	69%	0.685	S	S	*	*				73.2	132	84.3	-75.1	-155.4	0	0	0	112.2
876	T	25.9	Very low	26	Very low	105 Å²	105	121 Å²	121	64%	0.644	68%	0.683	S	S	*	*			cis	-164.9	162.8	1.9	21.5	0	0	0	0	111.1
877	S	26	Very low	25.7	Very low	110 Å²	110	119.9 Å²	119.9	77%	0.769	68%	0.679	S	S	*	*			trans	67.9	150.9	141.9	-72.2	0	0	0	0	119.4
878	S	27.5	Very low	25.7	Very low	87 Å²	87	120.6 Å²	120.6	61%	0.608	68%	0.68	S	S	*	*			cis	-172.4	147.4	-11.3	47	0	0	0	0	110.3
879	N	26	Very low	25.6	Very low	141 Å²	141	124.9 Å²	124.9	75%	0.754	68%	0.684	S	S	*	*			trans	60.1	153.8	138.2	-59.4	2.5	0	0	0	118.6
880	L	25	Very low	25.4	Very low	121 Å²	121	124.5 Å²	124.5	63%	0.634	68%	0.678	S	S	*	*			cis	-148.1	146.3	-5.4	-135.8	47.5	0	0	0	105.1
881	E	26.1	Very low	25.3	Very low	129 Å²	129	125.5 Å²	125.5	60%	0.603	68%	0.677	S	S	*	*				52.5	146.7	109	-66.1	-169.2	149.7	0	0	116.9
882	K	28.3	Very low	25.2	Very low	153 Å²	153	129.9 Å²	129.9	67%	0.665	69%	0.689	S	S	*	*			cis	-158.4	177.1	8.8	-119.2	159.3	-175.9	147.6	0	106.2
883	T	25.1	Very low	25.3	Very low	95 Å²	95	131.3 Å²	131.3	58%	0.583	69%	0.692	S	S	*	*			cis	-156.5	149.6	12.8	-5.1	0	0	0	0	107.6
884	E	25.6	Very low	25.3	Very low	158 Å²	158	132.3 Å²	132.3	74%	0.738	70%	0.699	S	S	*	*			trans	62.8	151.4	139.8	-69.2	172	-148.2	0	0	121.6
885	N	29.4	Very low	25.3	Very low	132 Å²	132	129.5 Å²	129.5	71%	0.706	70%	0.696	S	S	*	*			cis	-145.3	166.9	-4.1	-130.4	-36.5	0	0	0	114.1
886	S	25.7	Very low	25.4	Very low	93 Å²	93	129.6 Å²	129.6	65%	0.65	70%	0.697	S	S	*	*			trans	2.4	131.1	166.6	-145.8	0	0	0	0	119.6
887	C	22.2	Very low	25.3	Very low	103 Å²	103	129.2 Å²	129.2	70%	0.696	70%	0.699	S	S	*	*			cis	63.8	148.6	44.1	-54	0	0	0	0	114.4
888	T	22.4	Very low	25.5	Very low	111 Å²	111	130.4 Å²	130.4	68%	0.681	70%	0.702	S	S	*	*			cis	-176.4	173.2	-28	37.1	0	0	0	0	107.8
889	Y	22.6	Very low	25.4	Very low	209 Å²	209	132.6 Å²	132.6	82%	0.82	71%	0.712	S	S	*	*			trans	70.2	156.7	167.5	-75.1	-100.1	0	0	0	117.4
890	N	22.6	Very low	25.5	Very low	113 Å²	113	134.1 Å²	134.1	60%	0.604	71%	0.712	S	S	*	*			cis	-172.5	141.7	-45.4	-124.7	-45.9	0	0	0	111.8
891	K	23.8	Very low	25.5	Very low	179 Å²	179	138 Å²	138	78%	0.778	73%	0.727	S	S	*	*			trans	66.7	153	148.5	-82	176.4	178.1	-179	0	122.6
892	Q	24.4	Very low	25.6	Very low	172 Å²	172	137.3 Å²	137.3	80%	0.804	73%	0.727	S	S	*	*			trans	75.5	115.5	169.7	-68.5	167.7	-18.2	0	0	115.1
893	N	25.4	Very low	25.6	Very low	151 Å²	151	140.6 Å²	140.6	81%	0.807	74%	0.742	S	S	*	*				80.4	127.8	50	-72.1	38.7	0	0	0	111.8
894	T	25.3	Very low	25.7	Very low	117 Å²	117	140.3 Å²	140.3	72%	0.718	74%	0.744	S	S	*	*			cis	-140.6	-173.7	-3	59.8	0	0	0	0	109
895	T	25.1	Very low	25.9	Very low	113 Å²	113	140.9 Å²	140.9	69%	0.693	75%	0.746	S	S	*	*			cis	-144.3	-139.5	3.3	-17.7	0	0	0	0	107.9
896	D	29.5	Very low	25.8	Very low	129 Å²	129	138 Å²	138	69%	0.69	74%	0.736	S	S	*	*			cis	-156.5	157.4	-4.5	-135	-52.4	0	0	0	112.4
897	S	23.9	Very low	26.2	Very low	98 Å²	98	137.2 Å²	137.2	69%	0.685	73%	0.731	S	S	*	*			trans	58.8	149.5	167.6	74	0	0	0	0	118.2
898	T	29.5	Very low	26.9	Very low	134 Å²	134	134.4 Å²	134.4	82%	0.822	71%	0.709	S	S	*	*			cis	-148.6	176.3	-5.2	-10.6	0	0	0	0	110.4
899	T	25.1	Very low	27.4	Very low	134 Å²	134	138.2 Å²	138.2	82%	0.822	71%	0.711	S	S	*	*			trans	-72.8	130.7	-168.9	50.2	0	0	0	0	116.9
900	K	29.4	Very low	28.8	Very low	172 Å²	172	133.2 Å²	133.2	75%	0.748	70%	0.695	S	S	*	*			trans	-162.5	105.4	148.2	-133.6	170.6	-179.5	-78.5	0	111.1	D902	K900-D902 IonicContact NZ-OD2 2.83Å; K900-D902 PolarHBondContact NZ-OD2 3.24Å
901	E	24.9	Very low	30.4	Very low	203 Å²	203	128.7 Å²	128.7	95%	0.949	67%	0.67	S	S	*	*			trans	-104.1	80.2	169.2	-75	-163.4	151.3	0	0	110.1
902	D	26.9	Very low	31.7	Very low	114 Å²	114	123.2 Å²	123.2	61%	0.61	65%	0.646	S	S	*	*			trans	-84.1	148.4	163.3	-70.8	-62.5	0	0	0	110	K900 S904	K900-D902 IonicContact NZ-OD2 2.83Å; K900-D902 PolarHBondContact NZ-OD2 3.24Å; D902-S904 PolarHBondContact O-N 2.95Å
903	F	28.9	Very low	32.2	Very low	222 Å²	222	119.6 Å²	119.6	97%	0.974	64%	0.638	S	S	*	*			trans	-60.4	104.8	179	-91.8	-109.1	0	0	0	111.5
904	S	26.2	Very low	32.6	Very low	90 Å²	90	114.2 Å²	114.2	63%	0.629	62%	0.615	S	S	*	*			trans	-88.5	123.5	171.2	81.1	0	0	0	0	111.6	D902 S906	D902-S904 PolarHBondContact O-N 2.95Å; S904-S906 PolarHBondContact O-N 3.08Å; S904-S906 PolarHBondContact OG-OG 2.86Å
905	E	31.1	Very low	33.1	Very low	169 Å²	169	110.7 Å²	110.7	79%	0.79	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-76.6	26.4	-178.2	-164.5	158.5	-166.7	0	0	113.2	L908	E905-L908 HydrophobicContact CG-CD1 3.69Å
906	S	27	Very low	34.2	Very low	71 Å²	71	108.3 Å²	108.3	50%	0.497	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-79.4	-23.6	-165.4	58.2	0	0	0	0	115.1	S904 L908	S904-S906 PolarHBondContact O-N 3.08Å; S904-S906 PolarHBondContact OG-OG 2.86Å; S906-L908 VanDerWaalsContact C-N 3.29Å; S906-L908 PolarHBondContact O-N 2.98Å
907	S	34.4	Very low	35	Very low	77 Å²	77	104.7 Å²	104.7	54%	0.538	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-82	5.6	-170.1	-69.4	0	0	0	0	115.7	Y755 R761 R909	Y755-S907 PolarHBondContact OH-O 2.83Å; R761-S907 PolarHBondContact NH2-O 3.37Å; S907-R909 VanDerWaalsContact C-N 3.32Å; S907-R909 PolarHBondContact O-N 3.02Å
908	L	37.4	Very low	36.7	Very low	45 Å²	45	104.4 Å²	104.4	24%	0.236	54%	0.544	C	S	.	.	G	3₁₀ helix	trans	-81.7	0.6	-177.1	-82	159.3	0	0	0	114.9	Y755 E905 S906 E910 K912	Y755-L908 HydrophobicContact CE1-CD2 3.98Å; Y755-L908 HydrophobicContact CE2-CD2 4.17Å; Y755-L908 WeakPolarHBondContact OH-CD2 3.44Å; Y755-L908 WeakPolarHBondContact OH-CG 3.39Å; E905-L908 HydrophobicContact CG-CD1 3.69Å; S906-L908 VanDerWaalsContact C-N 3.29Å; S906-L908 PolarHBondContact O-N 2.98Å; L908-E910 PolarHBondContact O-N 2.98Å; L908-K912 HydrophobicContact CB-CD 4.29Å; L908-K912 WeakPolarHBondContact O-CD 3.23Å
909	R	32.4	Very low	38.7	Very low	190 Å²	190	99.7 Å²	99.7	72%	0.717	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-72.1	-18.1	-173.3	-67.1	-169.3	-176.8	-170.1	3.7	115.9	S907 I2258	S907-R909 VanDerWaalsContact C-N 3.32Å; S907-R909 PolarHBondContact O-N 3.02Å; R909-I2258 VanDerWaalsContact NH2-CD1 3.28Å
910	E	51.9	Low	41.2	Very low	104 Å²	104	94.4 Å²	94.4	49%	0.486	48%	0.482	S	S	.	.	S	Bend	trans	-71.3	-38.3	-169.3	-73.4	-168.2	130	0	0	115.2	R761 N765 L908	R761-E910 IonicContact CZ-OE2 3.13Å; R761-E910 IonicContact NE-OE2 3.83Å; R761-E910 PolarHBondContact NE-OE2 2.9Å; R761-E910 IonicContact NH2-OE2 2.98Å; R761-E910 PolarHBondContact NH2-OE2 2.84Å; N765-E910 PolarHBondContact ND2-OE1 2.98Å; N765-E910 PolarHBondContact ND2-OE2 2.65Å; L908-E910 PolarHBondContact O-N 2.98Å
911	W	56.9	Low	43.9	Very low	19 Å²	19	90 Å²	90	7%	0.072	46%	0.464	C	S	.	.	S	Bend	trans	-115.2	15.3	-173.9	-59	-12.5	0	0	0	113.9	Y755 R761 V764 N765 E921 A924 I928	Y755-W911 HydrophobicContact CD2-CE3 4.22Å; Y755-W911 HydrophobicContact CD2-CZ3 4.27Å; R761-W911 HydrophobicContact CB-CZ2 4.45Å; R761-W911 HydrophobicContact CG-CH2 4.29Å; R761-W911 HydrophobicContact CG-CZ2 3.9Å; V764-W911 HydrophobicContact CB-CH2 3.94Å; V764-W911 HydrophobicContact CB-CZ2 3.63Å; V764-W911 HydrophobicContact CG1-CH2 3.89Å; V764-W911 HydrophobicContact CG1-CZ2 3.51Å; V764-W911 HydrophobicContact CG2-CH2 4.34Å; N765-W911 PolarHBondContact OD1-NE1 2.57Å; W911-E921 PolarHBondContact O-N 2.97Å; W911-E921 VanDerWaalsContact O-N 3.12Å; W911-A924 HydrophobicContact CD2-CB 4.15Å; W911-A924 HydrophobicContact CE3-CB 4.36Å; W911-A924 HydrophobicContact CG-CB 4.3Å; W911-I928 HydrophobicContact CE3-CD1 4.44Å; W911-I928 HydrophobicContact CH2-CD1 4.03Å; W911-I928 HydrophobicContact CZ3-CD1 3.68Å
912	K	50.5	Low	47	Very low	63 Å²	63	82 Å²	82	27%	0.274	43%	0.428	S	S	.	.			trans	-113.1	129.4	-178	-71.7	-177.8	177	179.2	0	111	L908 A914 P917	L908-K912 HydrophobicContact CB-CD 4.29Å; L908-K912 WeakPolarHBondContact O-CD 3.23Å; K912-A914 PolarHBondContact O-N 2.96Å; K912-P917 HydrophobicContact CD-CB 4.31Å; K912-P917 WeakPolarHBondContact CE-O 3.46Å; K912-P917 VanDerWaalsContact NZ-CB 3.26Å
913	C	35.1	Very low	50	Low	96 Å²	96	80.3 Å²	80.3	65%	0.649	42%	0.418	S	S	*	.			trans	-70.3	121	149.3	-166.6	0	0	0	0	106.7	T915 Q916	C913-T915 PolarHBondContact O-N 3.21Å; C913-T915 VanDerWaalsContact O-N 3.09Å; C913-Q916 PolarHBondContact O-N 2.9Å
914	A	32.9	Very low	53	Low	38 Å²	38	69.8 Å²	69.8	31%	0.314	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.7	-152.4	0	0	0	0	0	115.1	K912 Q916 I2258	K912-A914 PolarHBondContact O-N 2.96Å; A914-Q916 VanDerWaalsContact C-N 3.34Å; A914-Q916 PolarHBondContact O-N 3.22Å; A914-I2258 CarbonylContact C-O 3.59Å; A914-I2258 HydrophobicContact CB-CB 3.67Å; A914-I2258 HydrophobicContact CB-CG2 3.56Å; A914-I2258 WeakPolarHBondContact CB-O 3.37Å
915	T	37.4	Very low	56.3	Low	44 Å²	44	65.5 Å²	65.5	27%	0.27	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-14.2	180	26.6	0	0	0	0	115.6	C913 E1606 Q1609 I2258	C913-T915 PolarHBondContact O-N 3.21Å; C913-T915 VanDerWaalsContact O-N 3.09Å; T915-E1606 WeakPolarHBondContact CG2-OE1 3.25Å; T915-E1606 PolarHBondContact OG1-OE1 2.68Å; T915-E1606 VanDerWaalsContact OG1-OE1 3.13Å; T915-Q1609 PolarHBondContact O-NE2 3.45Å; T915-I2258 PolarHBondContact N-O 2.83Å; T915-I2258 VanDerWaalsContact N-O 3.13Å
916	Q	47.4	Very low	59.2	Low	63 Å²	63	58.1 Å²	58.1	29%	0.294	31%	0.308	S	S	.	.			trans	-145.5	122.1	170.3	-75.8	-165.3	-9.9	0	0	113.7	C913 A914 K918 N919 Q1609	C913-Q916 PolarHBondContact O-N 2.9Å; A914-Q916 VanDerWaalsContact C-N 3.34Å; A914-Q916 PolarHBondContact O-N 3.22Å; Q916-K918 PolarHBondContact O-N 3.49Å; Q916-K918 VanDerWaalsContact O-N 3.14Å; Q916-N919 PolarHBondContact OE1-ND2 3.38Å; Q916-Q1609 HydrophobicContact CG-CG 4.45Å
917	P	45.9	Very low	62.4	Low	53 Å²	53	55.4 Å²	55.4	34%	0.344	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	0.4	-172.5	33.5	-37.4	0	0	0	114.5	K912 L2255	K912-P917 HydrophobicContact CD-CB 4.31Å; K912-P917 WeakPolarHBondContact CE-O 3.46Å; K912-P917 VanDerWaalsContact NZ-CB 3.26Å; P917-L2255 HydrophobicContact CG-CD1 3.84Å; P917-L2255 HydrophobicContact CG-CD2 3.88Å; P917-L2255 HydrophobicContact CG-CG 4.11Å
918	K	59.6	Low	65.3	Low	91 Å²	91	51.8 Å²	51.8	40%	0.396	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-0.8	-174.6	-56.1	173.2	-170.3	148.9	0	113.7	R707 D710 Q916	R707-K918 PolarHBondContact O-NZ 3.21Å; D710-K918 VanDerWaalsContact CA-O 3.27Å; D710-K918 WeakPolarHBondContact CA-O 3Å; D710-K918 WeakPolarHBondContact CB-O 3.48Å; Q916-K918 PolarHBondContact O-N 3.49Å; Q916-K918 VanDerWaalsContact O-N 3.14Å
919	N	71.7	Confident	68.1	Low	36 Å²	36	50 Å²	50	19%	0.193	26%	0.255	C	S	.	.			trans	-109.6	110.1	179.6	-67.5	-58	0	0	0	109.8	I711 Q916	I711-N919 WeakPolarHBondContact CB-OD1 3.48Å; I711-N919 WeakPolarHBondContact CG1-OD1 3.5Å; I711-N919 PolarHBondContact N-OD1 3.41Å; Q916-N919 PolarHBondContact OE1-ND2 3.38Å
920	T	77.3	Confident	70.9	Confident	23 Å²	23	43.7 Å²	43.7	14%	0.141	23%	0.232	C	C	.	.			trans	-69.4	141	167.6	-53.4	0	0	0	0	109	D710 G712 I751 L922 A924 A925	D710-T920 VanDerWaalsContact CG-N 3.33Å; D710-T920 PolarHBondContact OD1-N 3.47Å; D710-T920 VanDerWaalsContact OD1-N 3.15Å; D710-T920 VanDerWaalsContact OD2-CB 3.28Å; D710-T920 WeakPolarHBondContact OD2-CB 3.41Å; D710-T920 PolarHBondContact OD2-N 3.12Å; D710-T920 PolarHBondContact OD2-OG1 3.38Å; G712-T920 WeakPolarHBondContact CA-O 3.34Å; I751-T920 HydrophobicContact CD1-CG2 4.33Å; I751-T920 HydrophobicContact CG2-CG2 3.98Å; T920-L922 PolarHBondContact O-N 3.44Å; T920-A924 HydrophobicContact CG2-CB 4.32Å; T920-A925 HydrophobicContact CG2-CB 4.2Å
921	E	86	Confident	72.9	Confident	79 Å²	79	38.9 Å²	38.9	37%	0.369	21%	0.21	S	C	.	.			trans	-56.8	131.7	171.8	-160.3	-156	147.3	0	0	111.1	W911 N923 A924 A925	W911-E921 PolarHBondContact O-N 2.97Å; W911-E921 VanDerWaalsContact O-N 3.12Å; E921-N923 PolarHBondContact O-N 3.05Å; E921-N923 WeakPolarHBondContact OE1-CB 3.26Å; E921-N923 PolarHBondContact OE1-ND2 3.16Å; E921-A924 HydrophobicContact CB-CB 4.29Å; E921-A924 PolarHBondContact O-N 3.11Å; E921-A924 VanDerWaalsContact O-N 3.09Å; E921-A925 PolarHBondContact O-N 2.76Å
922	L	90.8	Very high	74.6	Confident	36 Å²	36	39.2 Å²	39.2	19%	0.188	21%	0.213	C	C	.	.	H	α-helix	trans	-55.9	-36.9	-177.1	178.7	57.1	0	0	0	112.7	K715 A716 T920 A925 I926	K715-L922 HydrophobicContact CB-CD1 3.67Å; K715-L922 HydrophobicContact CB-CD2 4.26Å; A716-L922 HydrophobicContact CB-CD1 4.02Å; T920-L922 PolarHBondContact O-N 3.44Å; L922-A925 PolarHBondContact O-N 3.26Å; L922-I926 HydrophobicContact CD1-CD1 3.8Å; L922-I926 HydrophobicContact CD1-CG1 4.03Å; L922-I926 HydrophobicContact CG-CD1 3.89Å; L922-I926 HydrophobicContact CG-CG1 4.48Å; L922-I926 WeakPolarHBondContact O-CB 3.44Å; L922-I926 VanDerWaalsContact O-CG1 3.25Å; L922-I926 WeakPolarHBondContact O-CG1 3.2Å; L922-I926 PolarHBondContact O-N 3.37Å
923	N	89.8	Confident	76.4	Confident	77 Å²	77	39 Å²	39	41%	0.412	21%	0.213	S	C	.	.	H	α-helix	trans	-69	-41.4	179.2	-59.8	-43.4	0	0	0	111.7	E921 I926 C927	E921-N923 PolarHBondContact O-N 3.05Å; E921-N923 WeakPolarHBondContact OE1-CB 3.26Å; E921-N923 PolarHBondContact OE1-ND2 3.16Å; N923-I926 PolarHBondContact O-N 3.43Å; N923-C927 WeakPolarHBondContact O-CB 3.42Å; N923-C927 PolarHBondContact O-N 3.29Å
924	A	92.4	Very high	78.9	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-63.6	-45.6	172.9	0	0	0	0	0	111.2	V764 W911 T920 E921 I926 C927 I928	V764-A924 HydrophobicContact CG1-CB 4.01Å; W911-A924 HydrophobicContact CD2-CB 4.15Å; W911-A924 HydrophobicContact CE3-CB 4.36Å; W911-A924 HydrophobicContact CG-CB 4.3Å; T920-A924 HydrophobicContact CG2-CB 4.32Å; E921-A924 HydrophobicContact CB-CB 4.29Å; E921-A924 PolarHBondContact O-N 3.11Å; E921-A924 VanDerWaalsContact O-N 3.09Å; A924-I926 PolarHBondContact O-N 2.93Å; A924-C927 WeakPolarHBondContact O-CB 3.5Å; A924-C927 PolarHBondContact O-N 2.99Å; A924-I928 WeakPolarHBondContact O-CB 3.42Å; A924-I928 WeakPolarHBondContact O-CD1 3.34Å; A924-I928 VanDerWaalsContact O-CG1 3.25Å; A924-I928 WeakPolarHBondContact O-CG1 3.46Å; A924-I928 PolarHBondContact O-N 3.06Å
925	A	94.2	Very high	81.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-41.3	176.5	0	0	0	0	0	112.5	A716 I751 T920 E921 L922 L929	A716-A925 HydrophobicContact CB-CB 3.78Å; I751-A925 HydrophobicContact CD1-CB 4.11Å; T920-A925 HydrophobicContact CG2-CB 4.2Å; E921-A925 PolarHBondContact O-N 2.76Å; L922-A925 PolarHBondContact O-N 3.26Å; A925-L929 VanDerWaalsContact O-CB 3.22Å; A925-L929 WeakPolarHBondContact O-CB 3.49Å; A925-L929 PolarHBondContact O-N 3.06Å
926	I	93.3	Very high	84.1	Confident	15 Å²	15	36.5 Å²	36.5	8%	0.077	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-41.2	174.3	-74.9	174.5	0	0	0	111.8	A716 E720 L922 N923 A924 L929 K930	A716-I926 HydrophobicContact CB-CG1 3.81Å; E720-I926 HydrophobicContact CG-CB 4.45Å; E720-I926 HydrophobicContact CG-CD1 4.17Å; E720-I926 HydrophobicContact CG-CG1 3.86Å; E720-I926 HydrophobicContact CG-CG2 3.99Å; E720-I926 WeakPolarHBondContact OE1-CG2 3.26Å; L922-I926 HydrophobicContact CD1-CD1 3.8Å; L922-I926 HydrophobicContact CD1-CG1 4.03Å; L922-I926 HydrophobicContact CG-CD1 3.89Å; L922-I926 HydrophobicContact CG-CG1 4.48Å; L922-I926 WeakPolarHBondContact O-CB 3.44Å; L922-I926 VanDerWaalsContact O-CG1 3.25Å; L922-I926 WeakPolarHBondContact O-CG1 3.2Å; L922-I926 PolarHBondContact O-N 3.37Å; N923-I926 PolarHBondContact O-N 3.43Å; A924-I926 PolarHBondContact O-N 2.93Å; I926-L929 PolarHBondContact O-N 2.7Å; I926-K930 HydrophobicContact CG2-CD 4.34Å; I926-K930 WeakPolarHBondContact O-CG 3.18Å; I926-K930 PolarHBondContact O-N 3.45Å
927	C	93.6	Very high	86	Confident	14 Å²	14	33.9 Å²	33.9	10%	0.095	17%	0.172	C	C	.	.	H	α-helix	trans	-61.7	-48.6	175.9	-172.1	0	0	0	0	111.1	V764 N923 A924 L929 K930 A931	V764-C927 HydrophobicContact CG1-CB 4.45Å; N923-C927 WeakPolarHBondContact O-CB 3.42Å; N923-C927 PolarHBondContact O-N 3.29Å; A924-C927 WeakPolarHBondContact O-CB 3.5Å; A924-C927 PolarHBondContact O-N 2.99Å; C927-L929 PolarHBondContact O-N 3.17Å; C927-K930 PolarHBondContact O-N 2.95Å; C927-A931 WeakPolarHBondContact O-CB 3.09Å; C927-A931 PolarHBondContact O-N 2.95Å
928	I	95.3	Very high	88	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.5	-36.1	-179.8	-65.5	163.3	0	0	0	111.4	L747 K750 I751 F754 V764 W911 A924 K930 A931	L747-I928 HydrophobicContact CD1-CG2 4.31Å; K750-I928 HydrophobicContact CB-CG2 4.32Å; K750-I928 HydrophobicContact CD-CG2 3.93Å; K750-I928 WeakPolarHBondContact CE-O 3.48Å; K750-I928 HydrophobicContact CG-CG2 3.83Å; K750-I928 PolarHBondContact NZ-O 3.23Å; I751-I928 HydrophobicContact CB-CD1 4.38Å; I751-I928 HydrophobicContact CG1-CB 4.13Å; I751-I928 HydrophobicContact CG1-CD1 3.87Å; I751-I928 HydrophobicContact CG1-CG2 3.76Å; I751-I928 HydrophobicContact CG2-CD1 4.37Å; F754-I928 HydrophobicContact CB-CD1 3.9Å; F754-I928 HydrophobicContact CB-CG1 4.01Å; F754-I928 HydrophobicContact CB-CG2 4.27Å; F754-I928 HydrophobicContact CD1-CG1 3.84Å; F754-I928 HydrophobicContact CD1-CG2 4.34Å; F754-I928 HydrophobicContact CD2-CG2 4.01Å; F754-I928 HydrophobicContact CE2-CG2 4.48Å; F754-I928 HydrophobicContact CG-CD1 4.43Å; F754-I928 HydrophobicContact CG-CG1 3.99Å; F754-I928 HydrophobicContact CG-CG2 3.93Å; V764-I928 HydrophobicContact CG1-CD1 4.35Å; V764-I928 HydrophobicContact CG1-CG1 4.35Å; V764-I928 HydrophobicContact CG2-CD1 4.17Å; V764-I928 HydrophobicContact CG2-CG1 3.6Å; W911-I928 HydrophobicContact CE3-CD1 4.44Å; W911-I928 HydrophobicContact CH2-CD1 4.03Å; W911-I928 HydrophobicContact CZ3-CD1 3.68Å; A924-I928 WeakPolarHBondContact O-CB 3.42Å; A924-I928 WeakPolarHBondContact O-CD1 3.34Å; A924-I928 VanDerWaalsContact O-CG1 3.25Å; A924-I928 WeakPolarHBondContact O-CG1 3.46Å; A924-I928 PolarHBondContact O-N 3.06Å; I928-K930 VanDerWaalsContact C-N 3.33Å; I928-K930 PolarHBondContact O-N 2.86Å; I928-A931 PolarHBondContact O-N 2.89Å
929	L	94.9	Very high	89.3	Confident	9 Å²	9	35.7 Å²	35.7	5%	0.047	19%	0.188	C	C	.	.	H	α-helix	trans	-55.4	-48.9	172.6	-172.6	164.4	0	0	0	110.7	L428 A716 L717 E720 L747 K750 A925 I926 C927	L428-L929 HydrophobicContact CD2-CD2 4.42Å; L428-L929 HydrophobicContact CD2-CG 3.79Å; A716-L929 HydrophobicContact CB-CD1 4.09Å; A716-L929 WeakPolarHBondContact O-CD1 3.31Å; L717-L929 HydrophobicContact CD2-CD1 4.17Å; E720-L929 HydrophobicContact CB-CD1 3.9Å; E720-L929 HydrophobicContact CB-CD2 4.05Å; L747-L929 HydrophobicContact CD1-CB 3.99Å; L747-L929 HydrophobicContact CD2-CB 4.19Å; L747-L929 HydrophobicContact CD2-CD1 3.94Å; L747-L929 HydrophobicContact CD2-CG 4.23Å; K750-L929 PolarHBondContact NZ-O 2.91Å; A925-L929 VanDerWaalsContact O-CB 3.22Å; A925-L929 WeakPolarHBondContact O-CB 3.49Å; A925-L929 PolarHBondContact O-N 3.06Å; I926-L929 PolarHBondContact O-N 2.7Å; C927-L929 PolarHBondContact O-N 3.17Å
930	K	92.3	Very high	89.9	Confident	56 Å²	56	39.6 Å²	39.6	24%	0.243	20%	0.203	C	C	.	.	H	α-helix	trans	-84.9	-10.7	-176	-61.1	178	-173.9	173.7	0	115.3	R287 L288 E720 I926 C927 I928	R287-K930 PolarHBondContact NH1-O 3.34Å; L288-K930 HydrophobicContact CD1-CB 4.05Å; L288-K930 HydrophobicContact CD1-CD 3.5Å; L288-K930 HydrophobicContact CD1-CG 4.38Å; L288-K930 HydrophobicContact CD2-CD 3.97Å; L288-K930 HydrophobicContact CG-CD 4.36Å; E720-K930 WeakPolarHBondContact OE1-CE 3.38Å; E720-K930 IonicContact OE1-NZ 3.79Å; E720-K930 PolarHBondContact OE1-NZ 3.48Å; E720-K930 WeakPolarHBondContact OE2-CE 3.49Å; E720-K930 IonicContact OE2-NZ 3.22Å; E720-K930 PolarHBondContact OE2-NZ 3.1Å; I926-K930 HydrophobicContact CG2-CD 4.34Å; I926-K930 WeakPolarHBondContact O-CG 3.18Å; I926-K930 PolarHBondContact O-N 3.45Å; C927-K930 PolarHBondContact O-N 2.95Å; I928-K930 VanDerWaalsContact C-N 3.33Å; I928-K930 PolarHBondContact O-N 2.86Å
931	A	93.5	Very high	89.9	Confident	4 Å²	4	41.7 Å²	41.7	3%	0.033	23%	0.23	C	C	.	.			trans	-67.6	151.4	174.1	0	0	0	0	0	111.6	K750 F754 C927 I928 I936	K750-A931 PolarHBondContact NZ-O 2.88Å; F754-A931 HydrophobicContact CE1-CB 3.64Å; F754-A931 HydrophobicContact CZ-CB 3.57Å; C927-A931 WeakPolarHBondContact O-CB 3.09Å; C927-A931 PolarHBondContact O-N 2.95Å; I928-A931 PolarHBondContact O-N 2.89Å; A931-I936 HydrophobicContact CB-CD1 3.68Å
932	D	92.8	Very high	89.5	Confident	25 Å²	25	40.3 Å²	40.3	13%	0.134	22%	0.224	C	C	.	.			trans	-117.9	122	161.7	-158.7	-39.8	0	0	0	107.8	K424 S429 E935 I936	K424-D932 VanDerWaalsContact CE-OD2 3.28Å; K424-D932 WeakPolarHBondContact CE-OD2 3.16Å; K424-D932 IonicContact NZ-OD1 2.83Å; K424-D932 PolarHBondContact NZ-OD1 3.3Å; K424-D932 IonicContact NZ-OD2 3.85Å; K424-D932 PolarHBondContact NZ-OD2 3.2Å; S429-D932 VanDerWaalsContact CB-CG 3.45Å; S429-D932 WeakPolarHBondContact CB-OD2 3.23Å; S429-D932 PolarHBondContact OG-OD2 2.98Å; D932-E935 HydrophobicContact CB-CB 3.93Å; D932-E935 PolarHBondContact O-N 2.99Å; D932-I936 VanDerWaalsContact O-CG1 3.32Å; D932-I936 WeakPolarHBondContact O-CG1 3.25Å; D932-I936 PolarHBondContact O-N 2.89Å
933	E	87.9	Confident	88.2	Confident	59 Å²	59	42.1 Å²	42.1	28%	0.276	23%	0.234	S	C	.	.	H	α-helix	trans	-68.4	-43.8	-169.6	-171.7	-177.9	148.6	0	0	111.4	F754 L760 E935 I936 L937	F754-E933 HydrophobicContact CE2-CB 4.11Å; F754-E933 HydrophobicContact CE2-CG 4.2Å; F754-E933 HydrophobicContact CZ-CB 4.36Å; L760-E933 HydrophobicContact CD1-CG 3.85Å; E933-E935 VanDerWaalsContact C-N 3.28Å; E933-E935 PolarHBondContact O-N 2.81Å; E933-I936 PolarHBondContact O-N 3.15Å; E933-L937 HydrophobicContact CG-CD1 4.19Å; E933-L937 WeakPolarHBondContact O-CB 3.46Å; E933-L937 WeakPolarHBondContact O-CG 3.32Å; E933-L937 PolarHBondContact O-N 3.17Å
934	D	87.3	Confident	86.6	Confident	40 Å²	40	39.7 Å²	39.7	21%	0.214	22%	0.222	C	C	.	.	H	α-helix	trans	-58.2	-43.5	175.9	-69.7	-46.8	0	0	0	111.1	K424 K431 S938 P944	K424-D934 IonicContact NZ-OD2 3.82Å; K424-D934 PolarHBondContact NZ-OD2 3.2Å; K431-D934 WeakPolarHBondContact CE-OD2 3.44Å; K431-D934 IonicContact NZ-OD1 3.74Å; K431-D934 PolarHBondContact NZ-OD1 3.3Å; K431-D934 IonicContact NZ-OD2 2.72Å; K431-D934 PolarHBondContact NZ-OD2 3.5Å; K431-D934 VanDerWaalsContact NZ-OD2 3.07Å; D934-S938 VanDerWaalsContact O-CB 3.3Å; D934-S938 WeakPolarHBondContact O-CB 3.38Å; D934-S938 PolarHBondContact O-N 3.1Å; D934-S938 PolarHBondContact O-OG 2.73Å; D934-P944 HydrophobicContact CB-CG 4.11Å; D934-P944 WeakPolarHBondContact O-CG 3.28Å; D934-P944 WeakPolarHBondContact OD1-CB 3.35Å
935	E	90.5	Very high	84.4	Confident	78 Å²	78	41.1 Å²	41.1	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-68.4	-47.3	-177.8	-166	-169.6	146.1	0	0	111	R287 D932 E933 S938 N939	R287-E935 IonicContact CZ-OE1 3.81Å; R287-E935 IonicContact CZ-OE2 3.55Å; R287-E935 IonicContact NH2-OE1 3.25Å; R287-E935 PolarHBondContact NH2-OE1 2.98Å; R287-E935 IonicContact NH2-OE2 2.78Å; R287-E935 PolarHBondContact NH2-OE2 3.4Å; D932-E935 HydrophobicContact CB-CB 3.93Å; D932-E935 PolarHBondContact O-N 2.99Å; E933-E935 VanDerWaalsContact C-N 3.28Å; E933-E935 PolarHBondContact O-N 2.81Å; E935-S938 PolarHBondContact O-N 3.34Å; E935-S938 PolarHBondContact O-OG 2.71Å; E935-N939 WeakPolarHBondContact O-CB 3.26Å; E935-N939 VanDerWaalsContact O-CG 3.27Å; E935-N939 PolarHBondContact O-N 2.96Å; E935-N939 PolarHBondContact O-ND2 3.5Å
936	I	90.1	Very high	81.9	Confident	7 Å²	7	43.3 Å²	43.3	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-47.9	178.8	-68.2	163.2	0	0	0	110.7	F754 L760 F763 A931 D932 E933 S938 N939 F940	F754-I936 HydrophobicContact CE1-CD1 4Å; F754-I936 HydrophobicContact CZ-CD1 4.14Å; L760-I936 HydrophobicContact CD2-CB 4.16Å; L760-I936 HydrophobicContact CD2-CG2 3.68Å; F763-I936 HydrophobicContact CB-CG2 4.44Å; F763-I936 HydrophobicContact CD1-CD1 3.74Å; F763-I936 HydrophobicContact CD2-CD1 4.48Å; F763-I936 HydrophobicContact CD2-CG1 4.47Å; F763-I936 HydrophobicContact CD2-CG2 4.17Å; F763-I936 HydrophobicContact CE1-CD1 3.51Å; F763-I936 HydrophobicContact CE1-CG1 4.31Å; F763-I936 HydrophobicContact CE2-CD1 4.28Å; F763-I936 HydrophobicContact CE2-CG1 4.21Å; F763-I936 HydrophobicContact CG-CD1 4.24Å; F763-I936 HydrophobicContact CG-CG2 4.17Å; F763-I936 HydrophobicContact CZ-CD1 3.81Å; F763-I936 HydrophobicContact CZ-CG1 4.14Å; A931-I936 HydrophobicContact CB-CD1 3.68Å; D932-I936 VanDerWaalsContact O-CG1 3.32Å; D932-I936 WeakPolarHBondContact O-CG1 3.25Å; D932-I936 PolarHBondContact O-N 2.89Å; E933-I936 PolarHBondContact O-N 3.15Å; I936-S938 PolarHBondContact O-N 3.49Å; I936-N939 PolarHBondContact O-N 2.84Å; I936-F940 HydrophobicContact CG2-CD2 4.02Å; I936-F940 HydrophobicContact CG2-CE2 3.89Å; I936-F940 VanDerWaalsContact O-CD2 3.26Å; I936-F940 WeakPolarHBondContact O-CD2 3.43Å; I936-F940 PolarHBondContact O-N 3.49Å
937	L	86.7	Confident	79.4	Confident	9 Å²	9	46.8 Å²	46.8	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-61.1	-44.3	177.7	-67.5	173.6	0	0	0	111.3	L760 E933 N939 F940 G941 I942 P944	L760-L937 HydrophobicContact CD2-CD2 4.26Å; L760-L937 HydrophobicContact CD2-CG 4.4Å; E933-L937 HydrophobicContact CG-CD1 4.19Å; E933-L937 WeakPolarHBondContact O-CB 3.46Å; E933-L937 WeakPolarHBondContact O-CG 3.32Å; E933-L937 PolarHBondContact O-N 3.17Å; L937-N939 VanDerWaalsContact C-N 3.3Å; L937-N939 PolarHBondContact O-N 3.44Å; L937-F940 CarbonylContact O-C 3.11Å; L937-F940 WeakPolarHBondContact O-CA 3.5Å; L937-F940 PolarHBondContact O-N 2.82Å; L937-G941 PolarHBondContact O-N 2.93Å; L937-I942 CarbonylContact C-O 3.37Å; L937-I942 HydrophobicContact CB-CB 4.3Å; L937-I942 HydrophobicContact CB-CG2 4.43Å; L937-I942 WeakPolarHBondContact O-CA 3.2Å; L937-I942 WeakPolarHBondContact O-CB 3.21Å; L937-I942 PolarHBondContact O-N 2.96Å; L937-I942 VanDerWaalsContact O-O 3.13Å; L937-P944 HydrophobicContact CB-CG 4.32Å
938	S	87.1	Confident	76.8	Confident	60 Å²	60	49.4 Å²	49.4	42%	0.42	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-35.1	177.1	74	0	0	0	0	113.3	D934 E935 I936 F940 G941 I942	D934-S938 VanDerWaalsContact O-CB 3.3Å; D934-S938 WeakPolarHBondContact O-CB 3.38Å; D934-S938 PolarHBondContact O-N 3.1Å; D934-S938 PolarHBondContact O-OG 2.73Å; E935-S938 PolarHBondContact O-N 3.34Å; E935-S938 PolarHBondContact O-OG 2.71Å; I936-S938 PolarHBondContact O-N 3.49Å; S938-F940 VanDerWaalsContact C-N 3.26Å; S938-F940 PolarHBondContact O-N 3.28Å; S938-G941 PolarHBondContact O-N 3.28Å; S938-I942 PolarHBondContact N-O 3.45Å
939	N	88.4	Confident	73.6	Confident	121 Å²	121	55.8 Å²	55.8	65%	0.647	31%	0.311	S	S	*	.	H	α-helix	trans	-68.8	-22.5	175.1	-73.1	-40.9	0	0	0	113.1	E935 I936 L937 G941	E935-N939 WeakPolarHBondContact O-CB 3.26Å; E935-N939 VanDerWaalsContact O-CG 3.27Å; E935-N939 PolarHBondContact O-N 2.96Å; E935-N939 PolarHBondContact O-ND2 3.5Å; I936-N939 PolarHBondContact O-N 2.84Å; L937-N939 VanDerWaalsContact C-N 3.3Å; L937-N939 PolarHBondContact O-N 3.44Å; N939-G941 VanDerWaalsContact C-N 3.29Å
940	F	83.6	Confident	70.2	Confident	119 Å²	119	59.9 Å²	59.9	52%	0.522	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	10.1	169.8	-76.4	-70.5	0	0	0	113.2	I759 I936 L937 S938 I942	I759-F940 HydrophobicContact CG2-CB 4.49Å; I759-F940 HydrophobicContact CG2-CD1 4.38Å; I759-F940 HydrophobicContact CG2-CD2 3.42Å; I759-F940 VanDerWaalsContact CG2-CD2 3.42Å; I759-F940 HydrophobicContact CG2-CE2 3.59Å; I759-F940 HydrophobicContact CG2-CG 3.86Å; I759-F940 HydrophobicContact CG2-CZ 4.15Å; I936-F940 HydrophobicContact CG2-CD2 4.02Å; I936-F940 HydrophobicContact CG2-CE2 3.89Å; I936-F940 VanDerWaalsContact O-CD2 3.26Å; I936-F940 WeakPolarHBondContact O-CD2 3.43Å; I936-F940 PolarHBondContact O-N 3.49Å; L937-F940 CarbonylContact O-C 3.11Å; L937-F940 WeakPolarHBondContact O-CA 3.5Å; L937-F940 PolarHBondContact O-N 2.82Å; S938-F940 VanDerWaalsContact C-N 3.26Å; S938-F940 PolarHBondContact O-N 3.28Å; F940-I942 HydrophobicContact CB-CD1 4.49Å; F940-I942 HydrophobicContact CB-CG1 4.48Å; F940-I942 PolarHBondContact O-N 3.02Å
941	G	78.4	Confident	67.3	Low	67 Å²	67	66.3 Å²	66.3	69%	0.691	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	8.3	-176.3	0	0	0	0	0	113.9	L937 S938 N939 D943	L937-G941 PolarHBondContact O-N 2.93Å; S938-G941 PolarHBondContact O-N 3.28Å; N939-G941 VanDerWaalsContact C-N 3.29Å; G941-D943 PolarHBondContact O-N 3.37Å
942	I	77.2	Confident	64.2	Low	50 Å²	50	70.8 Å²	70.8	26%	0.256	40%	0.4	S	S	.	.			trans	-93.7	94.5	178	-59	175.7	0	0	0	107.4	I759 L937 S938 F940 P944 I947	I759-I942 HydrophobicContact CD1-CD1 3.31Å; L937-I942 CarbonylContact C-O 3.37Å; L937-I942 HydrophobicContact CB-CB 4.3Å; L937-I942 HydrophobicContact CB-CG2 4.43Å; L937-I942 WeakPolarHBondContact O-CA 3.2Å; L937-I942 WeakPolarHBondContact O-CB 3.21Å; L937-I942 PolarHBondContact O-N 2.96Å; L937-I942 VanDerWaalsContact O-O 3.13Å; S938-I942 PolarHBondContact N-O 3.45Å; F940-I942 HydrophobicContact CB-CD1 4.49Å; F940-I942 HydrophobicContact CB-CG1 4.48Å; F940-I942 PolarHBondContact O-N 3.02Å; I942-P944 WeakPolarHBondContact O-CD 2.98Å; I942-P944 VanDerWaalsContact O-N 3.15Å; I942-I947 HydrophobicContact CG2-CD1 3.66Å; I942-I947 HydrophobicContact CG2-CG1 3.99Å
943	D	62.5	Low	61	Low	73 Å²	73	75.3 Å²	75.3	39%	0.39	42%	0.424	S	S	.	.			trans	-55.8	118.1	170.7	165.3	33.6	0	0	0	109.8	G941 G945 S946 I947	G941-D943 PolarHBondContact O-N 3.37Å; D943-G945 VanDerWaalsContact CG-N 3.35Å; D943-G945 PolarHBondContact O-N 3.19Å; D943-G945 VanDerWaalsContact O-N 3.11Å; D943-G945 WeakPolarHBondContact OD1-CA 3.47Å; D943-G945 PolarHBondContact OD1-N 3.28Å; D943-G945 VanDerWaalsContact OD2-C 3.29Å; D943-G945 WeakPolarHBondContact OD2-CA 3.5Å; D943-S946 PolarHBondContact O-N 2.95Å; D943-S946 VanDerWaalsContact OD2-CB 3.27Å; D943-S946 WeakPolarHBondContact OD2-CB 3.38Å; D943-S946 PolarHBondContact OD2-N 3.43Å; D943-S946 PolarHBondContact OD2-OG 2.87Å; D943-I947 PolarHBondContact O-N 3.27Å
944	P	57.4	Low	58.1	Low	26 Å²	26	77.2 Å²	77.2	17%	0.169	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-21.4	176	-22	33.8	0	0	0	112.7	D934 L937 I942 N948	D934-P944 HydrophobicContact CB-CG 4.11Å; D934-P944 WeakPolarHBondContact O-CG 3.28Å; D934-P944 WeakPolarHBondContact OD1-CB 3.35Å; L937-P944 HydrophobicContact CB-CG 4.32Å; I942-P944 WeakPolarHBondContact O-CD 2.98Å; I942-P944 VanDerWaalsContact O-N 3.15Å; P944-N948 PolarHBondContact O-ND2 3.1Å
945	G	45.8	Very low	55.3	Low	31 Å²	31	83.1 Å²	83.1	32%	0.32	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-19.8	170.4	0	0	0	0	0	114.9	D943 N948 K949	D943-G945 VanDerWaalsContact CG-N 3.35Å; D943-G945 PolarHBondContact O-N 3.19Å; D943-G945 VanDerWaalsContact O-N 3.11Å; D943-G945 WeakPolarHBondContact OD1-CA 3.47Å; D943-G945 PolarHBondContact OD1-N 3.28Å; D943-G945 VanDerWaalsContact OD2-C 3.29Å; D943-G945 WeakPolarHBondContact OD2-CA 3.5Å; G945-N948 CarbonylContact O-C 3.58Å; G945-N948 VanDerWaalsContact O-C 3.28Å; G945-N948 WeakPolarHBondContact O-CA 3.33Å; G945-N948 WeakPolarHBondContact O-CB 3.43Å; G945-N948 PolarHBondContact O-N 3.04Å; G945-K949 PolarHBondContact O-N 3.08Å
946	S	41.6	Very low	52.1	Low	47 Å²	47	89.1 Å²	89.1	33%	0.329	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-23	-174.8	-71.9	0	0	0	0	113.6	D943 N948 K949 S950	D943-S946 PolarHBondContact O-N 2.95Å; D943-S946 VanDerWaalsContact OD2-CB 3.27Å; D943-S946 WeakPolarHBondContact OD2-CB 3.38Å; D943-S946 PolarHBondContact OD2-N 3.43Å; D943-S946 PolarHBondContact OD2-OG 2.87Å; S946-N948 PolarHBondContact O-N 3.06Å; S946-N948 VanDerWaalsContact O-N 3.15Å; S946-K949 PolarHBondContact O-N 3.16Å; S946-S950 WeakPolarHBondContact O-CB 3.4Å; S946-S950 PolarHBondContact O-N 3.09Å
947	I	40.9	Very low	49.1	Very low	87 Å²	87	100.6 Å²	100.6	45%	0.446	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-22.3	153.4	-67.5	178	0	0	0	110.6	K487 I942 D943	K487-I947 PolarHBondContact NZ-O 3.1Å; I942-I947 HydrophobicContact CG2-CD1 3.66Å; I942-I947 HydrophobicContact CG2-CG1 3.99Å; D943-I947 PolarHBondContact O-N 3.27Å
948	N	38.9	Very low	46.2	Very low	70 Å²	70	107.8 Å²	107.8	37%	0.374	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.2	13.3	175.8	-62.6	-58.3	0	0	0	114.4	K487 P944 G945 S946	K487-N948 WeakPolarHBondContact CD-OD1 3.2Å; K487-N948 PolarHBondContact NZ-OD1 3.13Å; P944-N948 PolarHBondContact O-ND2 3.1Å; G945-N948 CarbonylContact O-C 3.58Å; G945-N948 VanDerWaalsContact O-C 3.28Å; G945-N948 WeakPolarHBondContact O-CA 3.33Å; G945-N948 WeakPolarHBondContact O-CB 3.43Å; G945-N948 PolarHBondContact O-N 3.04Å; S946-N948 PolarHBondContact O-N 3.06Å; S946-N948 VanDerWaalsContact O-N 3.15Å
949	K	27.6	Very low	43.2	Very low	133 Å²	133	109.8 Å²	109.8	58%	0.578	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.4	-25.7	170.7	-71.7	-177.9	179.3	172.5	0	115.1	G945 S946 F951 S952	G945-K949 PolarHBondContact O-N 3.08Å; S946-K949 PolarHBondContact O-N 3.16Å; K949-F951 PolarHBondContact O-N 2.83Å; K949-S952 PolarHBondContact O-N 3.24Å; K949-S952 PolarHBondContact O-OG 2.86Å
950	S	24.7	Very low	40.2	Very low	96 Å²	96	110.4 Å²	110.4	67%	0.671	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	46.8	-172.2	-169.6	0	0	0	0	115.4	S946	S946-S950 WeakPolarHBondContact O-CB 3.4Å; S946-S950 PolarHBondContact O-N 3.09Å
951	F	31.4	Very low	37.5	Very low	190 Å²	190	114.1 Å²	114.1	83%	0.833	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.3	-1.2	159.4	-102	-75.7	0	0	0	114.2	K949 N953	K949-F951 PolarHBondContact O-N 2.83Å; F951-N953 PolarHBondContact O-N 3.36Å
952	S	28	Very low	34.8	Very low	98 Å²	98	120 Å²	120	69%	0.685	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	0.8	-174.9	57.9	0	0	0	0	115.9	K949	K949-S952 PolarHBondContact O-N 3.24Å; K949-S952 PolarHBondContact O-OG 2.86Å
953	N	26.1	Very low	32.3	Very low	120 Å²	120	124.4 Å²	124.4	64%	0.642	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124	-3.6	-171.5	-82.6	-44.4	0	0	0	115.9	F951	F951-N953 PolarHBondContact O-N 3.36Å
954	S	25.1	Very low	30.5	Very low	100 Å²	100	126.7 Å²	126.7	70%	0.699	65%	0.654	S	S	*	*			trans	-96.9	-10.1	-171.4	-61.4	0	0	0	0	115.6	R956	S954-R956 PolarHBondContact O-N 3.15Å; S954-R956 VanDerWaalsContact O-N 3.1Å
955	I	28.4	Very low	28.9	Very low	163 Å²	163	130 Å²	130	84%	0.836	68%	0.678	S	S	*	*			trans	-87.8	66.9	168.5	-51	-175.5	0	0	0	109.5
956	R	24.9	Very low	27.9	Very low	205 Å²	205	135.6 Å²	135.6	77%	0.774	70%	0.7	S	S	*	*			trans	-135.8	83.4	165.3	-82.7	-170.5	170.8	-167.9	-2.4	109.6	S954	S954-R956 PolarHBondContact O-N 3.15Å; S954-R956 VanDerWaalsContact O-N 3.1Å
957	R	26.7	Very low	27	Very low	248 Å²	248	142.8 Å²	142.8	94%	0.936	73%	0.725	S	S	*	*			trans	-115.4	132	159	-74.1	-171.1	173.6	177	-0.5	109.1
958	H	26.4	Very low	26.3	Very low	160 Å²	160	150.1 Å²	150.1	74%	0.741	75%	0.747	S	S	*	*			trans	-86.2	141.2	-170.2	-73.3	-135.7	0	0	0	110.9
959	T	23.9	Very low	25.9	Very low	102 Å²	102	155.6 Å²	155.6	63%	0.626	77%	0.768	S	S	*	*			trans	-116.8	74	151.8	-49.4	0	0	0	0	109.5
960	L	24.4	Very low	25.8	Very low	134 Å²	134	154.7 Å²	154.7	70%	0.702	78%	0.775	S	S	*	*			trans	-135.3	115	152.7	-81.2	178.5	0	0	0	106.2
961	Q	26.6	Very low	25.7	Very low	197 Å²	197	154.5 Å²	154.5	92%	0.921	77%	0.774	S	S	*	*			trans	-68.1	140.6	176	-78.7	179.2	-47.8	0	0	110.1
962	F	21.7	Very low	25.5	Very low	189 Å²	189	151.8 Å²	151.8	83%	0.829	77%	0.768	S	S	*	*			trans	-68.7	135.4	165.1	-73.9	-101	0	0	0	109.8
963	T	25.7	Very low	25.4	Very low	144 Å²	144	153.5 Å²	153.5	88%	0.883	77%	0.766	S	S	*	*			trans	-115.6	145.2	134	44.1	0	0	0	0	107.7
964	T	24.3	Very low	25.3	Very low	120 Å²	120	157.1 Å²	157.1	74%	0.736	77%	0.77	S	S	*	*			trans	-99.3	166.5	-165.3	51.3	0	0	0	0	110.1
965	S	24.4	Very low	25.5	Very low	96 Å²	96	158.9 Å²	158.9	67%	0.671	77%	0.772	S	S	*	*				171.6	175.4	65.7	51.3	0	0	0	0	113
966	L	25.2	Very low	25.4	Very low	149 Å²	149	157.2 Å²	157.2	78%	0.78	76%	0.764	S	S	*	*			trans	67.5	108.3	166.3	-49.3	-175.8	0	0	0	117
967	F	22.6	Very low	25.9	Very low	197 Å²	197	152.9 Å²	152.9	86%	0.864	76%	0.763	S	S	*	*				73.1	115.1	52.2	-79.4	-90.9	0	0	0	116.8
968	R	25.4	Very low	25.7	Very low	242 Å²	242	147.6 Å²	147.6	91%	0.913	75%	0.753	S	S	*	*				-157	127.2	121.9	-119.2	-179.9	-179.2	176.9	1.6	112.4
969	K	30	Very low	25.9	Very low	185 Å²	185	146 Å²	146	80%	0.804	75%	0.751	S	S	*	*			trans	-91.3	154.1	145.5	-73.7	-176.6	176.7	178.9	0	107.4
970	P	26.5	Very low	25.8	Very low	113 Å²	113	148 Å²	148	73%	0.734	76%	0.755	S	S	*	*				-132.8	151.7	98.5	19.2	0.5	0	0	0	111.5
971	S	21.6	Very low	25.9	Very low	93 Å²	93	148.6 Å²	148.6	65%	0.65	76%	0.759	S	S	*	*			cis	79	103.8	29.2	82.6	0	0	0	0	115.9
972	N	28.1	Very low	25.9	Very low	132 Å²	132	144 Å²	144	71%	0.706	74%	0.744	S	S	*	*			trans	-163.9	128.5	136.6	-94.6	-12.1	0	0	0	107.1
973	Q	24.8	Very low	25.9	Very low	135 Å²	135	141.8 Å²	141.8	63%	0.631	74%	0.741	S	S	*	*				69.1	139.3	76.1	-69.3	-177.2	12.4	0	0	111.6
974	R	24.8	Very low	26	Very low	195 Å²	195	140.9 Å²	140.9	74%	0.736	73%	0.731	S	S	*	*			cis	-154	158	11.4	-130.9	173.8	-151.2	146.6	3.2	107
975	D	28.6	Very low	26.1	Very low	137 Å²	137	140.5 Å²	140.5	73%	0.733	73%	0.725	S	S	*	*				175.4	171.4	67	-88.2	-44.2	0	0	0	107
976	N	27.6	Very low	26.1	Very low	128 Å²	128	142.5 Å²	142.5	68%	0.684	73%	0.727	S	S	*	*			cis	-170.7	121.4	-27.6	176	58.6	0	0	0	107.8
977	P	34.9	Very low	26.3	Very low	115 Å²	115	141.6 Å²	141.6	75%	0.747	72%	0.724	S	S	*	*			trans	-108.4	116.5	173.2	34.3	-23.6	0	0	0	111.7
978	D	23.2	Very low	26.5	Very low	137 Å²	137	138.7 Å²	138.7	73%	0.733	72%	0.717	S	S	*	*			trans	-172.7	161.5	156.4	-114.8	-24	0	0	0	113.6
979	N	29.3	Very low	26.6	Very low	127 Å²	127	134 Å²	134	68%	0.679	71%	0.71	S	S	*	*			trans	67.2	133.9	165.6	-64	-46.2	0	0	0	118.3
980	I	23.2	Very low	26.6	Very low	142 Å²	142	130.1 Å²	130.1	73%	0.728	70%	0.701	S	S	*	*			cis	112.8	140.9	25.3	-82.4	178.9	0	0	0	111.2
981	L	24.9	Very low	26.6	Very low	147 Å²	147	131.4 Å²	131.4	77%	0.77	70%	0.702	S	S	*	*			trans	79.9	120.8	170.8	-75.4	162.6	0	0	0	119.9
982	T	26.9	Very low	27	Very low	101 Å²	101	132.7 Å²	132.7	62%	0.62	70%	0.702	S	S	*	*			trans	73.4	100.5	134	51.6	0	0	0	0	122.2
983	N	22.6	Very low	27.1	Very low	142 Å²	142	132.8 Å²	132.8	76%	0.759	70%	0.698	S	S	*	*				71.2	152.1	99.2	-71.1	23.7	0	0	0	122.4
984	N	27.5	Very low	27.2	Very low	125 Å²	125	134.4 Å²	134.4	67%	0.668	71%	0.705	S	S	*	*			trans	82.3	105.4	154.1	-75.1	39.7	0	0	0	119.3
985	D	26	Very low	27.2	Very low	113 Å²	113	129.7 Å²	129.7	60%	0.604	70%	0.703	S	S	*	*				73.5	107.1	116	-48.1	-14.9	0	0	0	120.3
986	D	24.2	Very low	27.1	Very low	137 Å²	137	129.3 Å²	129.3	73%	0.733	70%	0.7	S	S	*	*				75	158.3	122.4	-60.7	-16.9	0	0	0	121.8
987	N	29.2	Very low	27	Very low	131 Å²	131	129.3 Å²	129.3	70%	0.701	71%	0.705	S	S	*	*			trans	82.3	92.8	164.1	-44	-71.1	0	0	0	116.9
988	D	27	Very low	26.6	Very low	136 Å²	136	128.7 Å²	128.7	73%	0.727	70%	0.704	S	S	*	*				77.1	133.1	113.3	-55.7	-19.2	0	0	0	122
989	D	27.1	Very low	26.9	Very low	143 Å²	143	130.8 Å²	130.8	77%	0.765	71%	0.707	S	S	*	*			trans	82	135.8	131.2	-93.6	-11.9	0	0	0	123.6
990	V	30.7	Very low	26.7	Very low	103 Å²	103	128.3 Å²	128.3	62%	0.624	70%	0.696	S	S	*	*			trans	70.2	100.9	137.1	172.9	0	0	0	0	118
991	N	27.2	Very low	26.9	Very low	141 Å²	141	127.1 Å²	127.1	75%	0.754	70%	0.696	S	S	*	*			trans	56.6	138.3	132	-55.1	-28.3	0	0	0	119.1
992	N	28.7	Very low	26.9	Very low	119 Å²	119	127.1 Å²	127.1	64%	0.636	70%	0.695	S	S	*	*			cis	-165.9	161.9	37.9	-147.6	-12.3	0	0	0	114.2
993	H	30.4	Very low	26.9	Very low	134 Å²	134	129.1 Å²	129.1	62%	0.62	70%	0.702	S	S	*	*			trans	69.1	105.6	159.4	-60.1	-45.3	0	0	0	122.3
994	Q	27	Very low	27	Very low	169 Å²	169	127 Å²	127	79%	0.79	70%	0.698	S	S	*	*				70.6	149.4	124.2	-67.7	167.6	-13.7	0	0	119.8
995	S	25.7	Very low	26.8	Very low	97 Å²	97	129.9 Å²	129.9	68%	0.678	71%	0.71	S	S	*	*			cis	178.2	148.1	-13.6	54.8	0	0	0	0	109.2
996	D	26.3	Very low	26.9	Very low	128 Å²	128	129.4 Å²	129.4	68%	0.684	72%	0.715	S	S	*	*			cis	-164.9	143.7	-8.2	-126.1	-79.2	0	0	0	114.2
997	T	25.4	Very low	27	Very low	129 Å²	129	129.2 Å²	129.2	79%	0.791	71%	0.713	S	S	*	*			trans	41.8	-175.9	147.1	47.9	0	0	0	0	123.9
998	S	27.1	Very low	26.9	Very low	102 Å²	102	131.4 Å²	131.4	71%	0.713	72%	0.716	S	S	*	*			trans	-162.8	178.6	-156.6	60.4	0	0	0	0	116.3
999	F	27.7	Very low	26.9	Very low	181 Å²	181	131.8 Å²	131.8	79%	0.794	72%	0.718	S	S	*	*			trans	98.1	149.2	162.1	-91.9	-81.1	0	0	0	123.6
1000	T	25.7	Very low	26.8	Very low	74 Å²	74	129.1 Å²	129.1	45%	0.454	71%	0.711	S	S	.	*			trans	70.8	97.3	158	46.2	0	0	0	0	124.7	V259	V259-T1000 WeakPolarHBondContact CG2-OG1 3.49Å
1001	T	27.5	Very low	26.5	Very low	118 Å²	118	131.5 Å²	131.5	72%	0.724	72%	0.72	S	S	*	*				82.9	111.5	113.1	-52	0	0	0	0	122.7
1002	I	25.3	Very low	26.6	Very low	147 Å²	147	128.1 Å²	128.1	75%	0.754	71%	0.711	S	S	*	*			trans	84	127.4	148.2	-74	171.4	0	0	0	121.4
1003	N	26.1	Very low	26.5	Very low	142 Å²	142	131.8 Å²	131.8	76%	0.759	72%	0.722	S	S	*	*			trans	65.1	91.3	156.4	-71.3	3.9	0	0	0	123.4
1004	S	25.3	Very low	26.5	Very low	97 Å²	97	129.6 Å²	129.6	68%	0.678	73%	0.727	S	S	*	*				71.6	124.2	112.3	70.5	0	0	0	0	122.6
1005	M	24.1	Very low	26.4	Very low	186 Å²	186	130.7 Å²	130.7	92%	0.916	73%	0.729	S	S	*	*			trans	69.9	142.6	156.2	-63.6	-172.5	-177.9	0	0	118.9
1006	S	26.8	Very low	26.5	Very low	103 Å²	103	135.2 Å²	135.2	72%	0.72	74%	0.739	S	S	*	*			cis	-170.3	173.9	-27	-151.2	0	0	0	0	111.2
1007	I	27.3	Very low	26.3	Very low	134 Å²	134	133 Å²	133	69%	0.687	74%	0.735	S	S	*	*			trans	82.8	127.1	149.7	-73.9	164.3	0	0	0	121.1
1008	K	27.1	Very low	26.3	Very low	176 Å²	176	134.6 Å²	134.6	77%	0.765	73%	0.733	S	S	*	*			trans	79.8	97.3	152.6	-80	161.2	-164.9	171.2	0	123.4
1009	N	25.6	Very low	26.1	Very low	144 Å²	144	136.8 Å²	136.8	77%	0.77	73%	0.732	S	S	*	*				59.8	104.2	105.4	-73.4	9.8	0	0	0	123.2
1010	S	26.3	Very low	25.8	Very low	87 Å²	87	135 Å²	135	61%	0.608	73%	0.729	S	S	*	*				89.8	143.4	103.8	80.2	0	0	0	0	122.9
1011	N	24.9	Very low	25.7	Very low	154 Å²	154	136.2 Å²	136.2	82%	0.824	74%	0.737	S	S	*	*			trans	72.8	155.2	157.6	-54.6	-37.3	0	0	0	116.4
1012	A	27.8	Very low	25.5	Very low	69 Å²	69	137.5 Å²	137.5	57%	0.57	74%	0.739	S	S	*	*			cis	-166.3	171.3	22.8	0	0	0	0	0	115.1
1013	K	27.1	Very low	25.7	Very low	196 Å²	196	136 Å²	136	85%	0.852	74%	0.737	S	S	*	*			trans	74.7	159.7	153.5	-61.5	147.9	-170	167.1	0	116.5
1014	A	29.9	Very low	25.9	Very low	89 Å²	89	135.2 Å²	135.2	74%	0.736	73%	0.732	S	S	*	*			cis	-132.6	133.6	7.5	0	0	0	0	0	110.3
1015	K	24.7	Very low	26	Very low	191 Å²	191	136.7 Å²	136.7	83%	0.83	73%	0.733	S	S	*	*				64.6	106.4	75.5	-86.3	-163.1	172.6	-164	0	115.8
1016	Q	27.8	Very low	26.2	Very low	192 Å²	192	133.8 Å²	133.8	90%	0.897	72%	0.721	S	S	*	*			trans	167.1	162.2	136	-95.5	173.9	-9.3	0	0	109.7
1017	S	23.3	Very low	26.4	Very low	83 Å²	83	134.1 Å²	134.1	58%	0.58	72%	0.715	S	S	*	*			cis	-178.6	145.3	-43.9	51.6	0	0	0	0	109.5
1018	H	25.9	Very low	26.5	Very low	162 Å²	162	135.6 Å²	135.6	75%	0.75	72%	0.716	S	S	*	*			trans	66.6	134.5	179.8	-65.2	-81.2	0	0	0	114.1
1019	E	21.8	Very low	26.4	Very low	148 Å²	148	132 Å²	132	69%	0.692	71%	0.713	S	S	*	*			cis	87.3	142.8	40.6	-168.2	-170.1	-155.7	0	0	112.2
1020	L	22.3	Very low	26.6	Very low	143 Å²	143	130.3 Å²	130.3	75%	0.749	71%	0.712	S	S	*	*			trans	72.7	140	-176.1	-46.2	-178.6	0	0	0	113.9
1021	T	23.4	Very low	26.7	Very low	100 Å²	100	129.7 Å²	129.7	61%	0.613	71%	0.708	S	S	*	*			cis	-160.8	149	-5.8	7	0	0	0	0	109.1
1022	D	22.4	Very low	27.2	Very low	144 Å²	144	128.2 Å²	128.2	77%	0.77	71%	0.707	S	S	*	*			trans	57.3	160.5	151.1	-49.6	-27.4	0	0	0	116.7
1023	V	30.7	Very low	27.1	Very low	117 Å²	117	130.7 Å²	130.7	71%	0.709	71%	0.711	S	S	*	*			cis	-155.9	134.9	38.3	164.6	0	0	0	0	109.4
1024	N	28.6	Very low	27.2	Very low	124 Å²	124	128 Å²	128	66%	0.663	71%	0.706	S	S	*	*			trans	62	121.2	161.5	-69.7	-30.9	0	0	0	118.9
1025	N	27.9	Very low	27.2	Very low	129 Å²	129	129.5 Å²	129.5	69%	0.69	70%	0.701	S	S	*	*				77.5	151.2	57.1	-79.9	-48.7	0	0	0	113.9
1026	N	28.5	Very low	27.4	Very low	124 Å²	124	126.7 Å²	126.7	66%	0.663	70%	0.695	S	S	*	*			trans	64.6	131.1	154.1	-67.8	-37.5	0	0	0	114.7
1027	N	30.7	Very low	27.2	Very low	110 Å²	110	122.8 Å²	122.8	59%	0.588	69%	0.688	S	S	*	*			cis	167.6	164.7	19.8	-100.3	-25.9	0	0	0	102.9
1028	K	30.6	Very low	27.3	Very low	166 Å²	166	122.8 Å²	122.8	72%	0.722	69%	0.688	S	S	*	*			cis	-159.2	168.4	-2.3	-125	158.7	-170.5	167.1	0	110.1
1029	S	24.3	Very low	27.3	Very low	100 Å²	100	122.2 Å²	122.2	70%	0.699	69%	0.691	S	S	*	*			trans	-16.5	159	145.5	65.7	0	0	0	0	117.8
1030	S	29.3	Very low	27.5	Very low	108 Å²	108	118.8 Å²	118.8	76%	0.755	68%	0.683	S	S	*	*			cis	-161.7	162.5	33.1	62.7	0	0	0	0	115.4
1031	S	29.7	Very low	27.7	Very low	75 Å²	75	120.8 Å²	120.8	52%	0.524	69%	0.686	S	S	.	*			trans	-72.6	-178.3	152.1	60.2	0	0	0	0	110.7	D1033	S1031-D1033 WeakPolarHBondContact CB-OD2 3.38Å; S1031-D1033 PolarHBondContact OG-OD2 2.95Å
1032	P	34	Very low	27.8	Very low	122 Å²	122	121.3 Å²	121.3	79%	0.792	69%	0.689	S	S	*	*				-115.6	162	57.3	5.9	17.9	0	0	0	113.1
1033	D	27.2	Very low	27.9	Very low	121 Å²	121	122 Å²	122	65%	0.647	69%	0.693	S	S	*	*			cis	92.2	156.1	26.8	-62.4	-51.4	0	0	0	116.3	S1031	S1031-D1033 WeakPolarHBondContact CB-OD2 3.38Å; S1031-D1033 PolarHBondContact OG-OD2 2.95Å
1034	D	28.6	Very low	27.8	Very low	140 Å²	140	120.2 Å²	120.2	75%	0.749	70%	0.698	S	S	*	*			trans	73.5	152.7	168.8	-67.4	-5.6	0	0	0	119.8
1035	N	29.1	Very low	27.6	Very low	121 Å²	121	122 Å²	122	65%	0.647	71%	0.707	S	S	*	*			cis	-173.7	161.8	-26.5	-100.3	-27.4	0	0	0	109.2
1036	N	28.4	Very low	27.6	Very low	131 Å²	131	121.5 Å²	121.5	70%	0.701	71%	0.714	S	S	*	*			cis	-168.2	168.1	-36.6	-142.6	-48.4	0	0	0	110.4
1037	C	25.5	Very low	27.5	Very low	111 Å²	111	121.1 Å²	121.1	75%	0.75	72%	0.716	S	S	*	*			trans	60.1	175.1	163.2	-75.9	0	0	0	0	119.1
1038	S	24.7	Very low	27.4	Very low	83 Å²	83	125 Å²	125	58%	0.58	73%	0.727	S	S	*	*			cis	-171.8	165.4	-49.9	64.3	0	0	0	0	110.5
1039	N	26.4	Very low	27.2	Very low	149 Å²	149	127.1 Å²	127.1	80%	0.797	73%	0.731	S	S	*	*			trans	69.5	152.3	161.6	-68.6	-54.5	0	0	0	119
1040	S	24.5	Very low	27.3	Very low	76 Å²	76	126.3 Å²	126.3	53%	0.531	72%	0.722	S	S	.	*			cis	-174	168.1	-19.9	60.3	0	0	0	0	111.8
1041	K	27.5	Very low	27.1	Very low	186 Å²	186	126.7 Å²	126.7	81%	0.809	72%	0.72	S	S	*	*			trans	75.6	149.6	158	-60.9	162.2	-172.6	173.8	0	118
1042	T	25.2	Very low	27	Very low	110 Å²	110	128.2 Å²	128.2	68%	0.675	73%	0.726	S	S	*	*			cis	-165.6	152.2	-14.8	21.6	0	0	0	0	112.1
1043	N	25	Very low	26.5	Very low	160 Å²	160	132.3 Å²	132.3	86%	0.856	73%	0.725	S	S	*	*			trans	64.1	136.8	146.4	-60.8	-6.8	0	0	0	122.1
1044	G	27.6	Very low	26.4	Very low	79 Å²	79	137.3 Å²	137.3	81%	0.814	74%	0.735	S	S	*	*			trans	151.9	105.4	153.2	0	0	0	0	0	115
1045	N	24.9	Very low	26.2	Very low	160 Å²	160	139.2 Å²	139.2	86%	0.856	74%	0.737	S	S	*	*			trans	-133.8	121.6	-177.3	-143.5	5.6	0	0	0	110.9
1046	S	27.7	Very low	26.6	Very low	120 Å²	120	137.7 Å²	137.7	84%	0.839	73%	0.734	S	S	*	*			trans	-177.6	92.9	158.7	-83.6	0	0	0	0	115.3
1047	V	26.7	Very low	26.5	Very low	116 Å²	116	139.8 Å²	139.8	70%	0.703	73%	0.732	S	S	*	*				27.6	125.1	126.6	-175.3	0	0	0	0	121
1048	K	28.7	Very low	26.4	Very low	190 Å²	190	141 Å²	141	83%	0.826	73%	0.727	S	S	*	*			trans	69.4	145.2	156.7	-75.4	169.2	-167.3	175.7	0	117.2
1049	R	25.7	Very low	26.4	Very low	211 Å²	211	143.8 Å²	143.8	80%	0.796	73%	0.734	S	S	*	*			cis	-175.4	168.1	-10.8	-129	-171.1	163.5	-120.8	12.8	107.1
1050	T	27.4	Very low	26.5	Very low	84 Å²	84	143.4 Å²	143.4	52%	0.515	74%	0.737	S	S	.	*			cis	-157.6	-177.2	-8.4	-19.1	0	0	0	0	108.7
1051	T	25.3	Very low	26.4	Very low	115 Å²	115	147.7 Å²	147.7	71%	0.706	75%	0.748	S	S	*	*			trans	67.2	112.1	146.6	41.4	0	0	0	0	120.5
1052	V	26	Very low	26.5	Very low	107 Å²	107	144.1 Å²	144.1	65%	0.648	74%	0.744	S	S	*	*				89.9	137.4	87.6	148.3	0	0	0	0	113
1053	R	25	Very low	26.4	Very low	209 Å²	209	146.9 Å²	146.9	79%	0.789	75%	0.749	S	S	*	*			cis	-151.1	-172.3	-10.9	-94.1	164.7	-168.5	136.8	-4.9	105.9
1054	R	25.5	Very low	26.3	Very low	226 Å²	226	144.1 Å²	144.1	85%	0.853	74%	0.742	S	S	*	*			cis	-133.4	174.3	10.9	-94.4	-166.3	164.8	169.9	-3.7	108.5
1055	F	23.3	Very low	26	Very low	179 Å²	179	147.7 Å²	147.7	79%	0.785	74%	0.742	S	S	*	*			cis	85.4	150.2	23.9	-79.3	-118.6	0	0	0	116.5
1056	P	38.1	Very low	26.1	Very low	90 Å²	90	147.6 Å²	147.6	58%	0.584	73%	0.73	S	S	*	*			cis	-153.3	-167.7	-36	44.7	-26.2	0	0	0	116.6
1057	R	25.1	Very low	25.8	Very low	175 Å²	175	148.5 Å²	148.5	66%	0.66	73%	0.725	S	S	*	*			trans	76.2	155.7	150.4	-77.3	175.8	-179.9	-165.9	0.6	118.1
1058	Q	24.4	Very low	25.7	Very low	137 Å²	137	148.8 Å²	148.8	64%	0.64	72%	0.719	S	S	*	*			cis	-153.4	145.7	6	-139.8	155.8	-34.7	0	0	115.6
1059	I	24.1	Very low	25.5	Very low	141 Å²	141	148.4 Å²	148.4	72%	0.723	71%	0.713	S	S	*	*			trans	33.5	128.4	144.2	-63.8	171.2	0	0	0	121.4
1060	T	28.2	Very low	25.3	Very low	140 Å²	140	142.8 Å²	142.8	86%	0.859	71%	0.706	S	S	*	*				-160.4	142.9	125.2	3.1	0	0	0	0	113.4
1061	Q	23.5	Very low	25.1	Very low	167 Å²	167	146.9 Å²	146.9	78%	0.78	72%	0.719	S	S	*	*			trans	-98.6	166.2	153.5	-97.8	-169.4	9.7	0	0	107.1
1062	P	28.6	Very low	25.1	Very low	110 Å²	110	147.8 Å²	147.8	71%	0.714	73%	0.725	S	S	*	*			cis	-148.6	-174.7	39.5	42.3	-20.3	0	0	0	118.4
1063	H	23.1	Very low	24.9	Very low	168 Å²	168	147.9 Å²	147.9	78%	0.778	73%	0.731	S	S	*	*			trans	-0.6	149.4	158.7	-69.6	-85.2	0	0	0	123.8
1064	S	22.5	Very low	25.4	Very low	102 Å²	102	142.5 Å²	142.5	71%	0.713	72%	0.723	S	S	*	*			trans	109.3	106.1	133.3	70.9	0	0	0	0	120.7
1065	N	23.2	Very low	25.5	Very low	154 Å²	154	137.8 Å²	137.8	82%	0.824	71%	0.714	S	S	*	*				43.3	119.4	126.6	-55.4	-2.6	0	0	0	121.7
1066	R	26	Very low	25.6	Very low	158 Å²	158	135.7 Å²	135.7	60%	0.596	71%	0.711	S	S	*	*				-153.8	130.2	113.2	-99.4	165.6	176.5	-119.2	-13.3	106.7
1067	L	22.1	Very low	24.9	Very low	139 Å²	139	135.3 Å²	135.3	73%	0.728	71%	0.711	S	S	*	*				64.9	145.6	71.7	-64.6	168.4	0	0	0	111.7
1068	Q	22.9	Very low	24.9	Very low	122 Å²	122	133 Å²	133	57%	0.57	71%	0.712	S	S	*	*			cis	-160.3	172.3	30.5	-152	165.5	2.3	0	0	113.2
1069	Y	25.4	Very low	24.8	Very low	183 Å²	183	134.3 Å²	134.3	72%	0.718	72%	0.718	S	S	*	*			trans	67.8	108.5	167.8	-61.7	-65.1	0	0	0	117.1
1070	S	21.6	Very low	24.8	Very low	93 Å²	93	135.3 Å²	135.3	65%	0.65	72%	0.721	S	S	*	*				96.9	151.9	58.3	72.1	0	0	0	0	112.1
1071	Q	23.6	Very low	24.7	Very low	169 Å²	169	135.4 Å²	135.4	79%	0.79	72%	0.716	S	S	*	*			cis	-160.2	177.5	24.1	-152.8	169.3	34.2	0	0	111.9
1072	T	25.7	Very low	24.6	Very low	135 Å²	135	134 Å²	134	83%	0.828	71%	0.713	S	S	*	*			trans	86.8	139.5	165.5	70.6	0	0	0	0	121.1
1073	S	20.6	Very low	24.4	Very low	109 Å²	109	134.7 Å²	134.7	76%	0.762	72%	0.715	S	S	*	*			trans	-156.3	-165.1	174	61.1	0	0	0	0	105.6
1074	P	36.9	Very low	24.5	Very low	96 Å²	96	137.1 Å²	137.1	62%	0.623	72%	0.718	S	S	*	*			cis	-132.4	-146.7	-14.3	30.4	-4.5	0	0	0	111.9
1075	D	25.7	Very low	24.5	Very low	126 Å²	126	138.4 Å²	138.4	67%	0.674	72%	0.716	S	S	*	*			trans	75.2	156.3	154	-59.6	-10.5	0	0	0	121.2
1076	N	25.9	Very low	24.5	Very low	135 Å²	135	136.9 Å²	136.9	72%	0.722	71%	0.708	S	S	*	*			cis	-174.7	170.9	-32.9	-91.4	-23.2	0	0	0	108
1077	S	23.5	Very low	24.5	Very low	82 Å²	82	140.4 Å²	140.4	57%	0.573	72%	0.721	S	S	*	*			cis	-166.2	168.2	-35.5	64.7	0	0	0	0	109
1078	D	24.7	Very low	24.5	Very low	127 Å²	127	141.8 Å²	141.8	68%	0.679	73%	0.728	S	S	*	*			trans	61.4	156.6	161.7	-57.6	-63.4	0	0	0	119.8
1079	Q	23.3	Very low	24.6	Very low	165 Å²	165	141 Å²	141	77%	0.771	73%	0.734	S	S	*	*			cis	-163.1	155.3	-24.2	-113.3	176.5	63.9	0	0	108.8
1080	M	23.1	Very low	24.6	Very low	161 Å²	161	139.4 Å²	139.4	79%	0.793	74%	0.738	S	S	*	*			trans	161.3	146	135.4	-92.7	-170.5	75.2	0	0	115.4
1081	L	26.1	Very low	24.7	Very low	142 Å²	142	141.4 Å²	141.4	74%	0.743	75%	0.746	S	S	*	*			trans	62.8	162.1	164.5	-59.8	169.9	0	0	0	119.5
1082	L	22.5	Very low	24.8	Very low	138 Å²	138	144.1 Å²	144.1	72%	0.723	75%	0.749	S	S	*	*				-172.4	136.4	-54.8	-145.9	84	0	0	0	108.1
1083	T	23.1	Very low	24.8	Very low	124 Å²	124	146.4 Å²	146.4	76%	0.761	75%	0.751	S	S	*	*			trans	56.6	137.6	165.8	53.4	0	0	0	0	117.8
1084	R	25.3	Very low	25.1	Very low	219 Å²	219	146.4 Å²	146.4	83%	0.826	75%	0.746	S	S	*	*			cis	-172.8	138.4	44.7	-151.6	172.7	-177.9	157.2	0.8	111.9
1085	L	23.3	Very low	24.4	Very low	130 Å²	130	147 Å²	147	68%	0.681	75%	0.748	S	S	*	*			trans	46.8	128.3	142.8	-61.8	174.3	0	0	0	123.3
1086	D	23.2	Very low	24.4	Very low	121 Å²	121	150 Å²	150	65%	0.647	76%	0.758	S	S	*	*				78.2	105.1	120.4	-71.9	22.7	0	0	0	124.1
1087	W	26.5	Very low	24.4	Very low	232 Å²	232	148.7 Å²	148.7	88%	0.879	76%	0.76	S	S	*	*				172.2	127.2	85.6	-108	21.1	0	0	0	114.2
1088	L	20.6	Very low	24.4	Very low	169 Å²	169	148.8 Å²	148.8	89%	0.885	76%	0.76	S	S	*	*			trans	178.9	113.9	147	-109.3	171.9	0	0	0	109.6
1089	P	27	Very low	24.5	Very low	105 Å²	105	153.6 Å²	153.6	68%	0.682	77%	0.77	S	S	*	*			trans	-89.5	121.8	176	32.4	-30.6	0	0	0	112.1
1090	N	24.1	Very low	24.5	Very low	149 Å²	149	152.3 Å²	152.3	80%	0.797	77%	0.765	S	S	*	*				-174.8	137.4	116.4	-93.9	-18.6	0	0	0	112.8
1091	T	24.4	Very low	24.6	Very low	135 Å²	135	152 Å²	152	83%	0.828	76%	0.759	S	S	*	*			trans	52.8	120.1	160.3	57.1	0	0	0	0	119.7
1092	W	25.9	Very low	24.6	Very low	226 Å²	226	149 Å²	149	86%	0.856	75%	0.749	S	S	*	*			trans	-144.7	125.3	149.6	-163.7	-70.2	0	0	0	110.2	T1094	W1092-T1094 PolarHBondContact NE1-OG1 3.42Å
1093	E	24.5	Very low	25	Very low	184 Å²	184	149.9 Å²	149.9	86%	0.86	75%	0.75	S	S	*	*			trans	-113.8	129.5	164.5	-75.1	-166.1	129.6	0	0	109.2
1094	T	26.9	Very low	25.2	Very low	108 Å²	108	150.7 Å²	150.7	66%	0.663	75%	0.748	S	S	*	*			trans	158.4	140.5	154.3	30.2	0	0	0	0	109.4	W1092	W1092-T1094 PolarHBondContact NE1-OG1 3.42Å
1095	T	23.3	Very low	25.4	Very low	110 Å²	110	146.8 Å²	146.8	68%	0.675	74%	0.743	S	S	*	*			cis	-170	142	-25.5	10.4	0	0	0	0	106.6
1096	Q	25.8	Very low	25.6	Very low	188 Å²	188	148.3 Å²	148.3	88%	0.879	75%	0.747	S	S	*	*			trans	60.4	166.3	164.5	-58.6	172.3	-6.9	0	0	116.7
1097	S	25.3	Very low	25.8	Very low	108 Å²	108	148 Å²	148	76%	0.755	75%	0.754	S	S	*	*				-161.4	136.4	-50.6	-173.8	0	0	0	0	107.9
1098	S	24.5	Very low	25.7	Very low	83 Å²	83	141.9 Å²	141.9	58%	0.58	75%	0.747	S	S	*	*			trans	55.1	121.4	162.6	179.3	0	0	0	0	118.3
1099	Y	25.8	Very low	25.8	Very low	228 Å²	228	145.7 Å²	145.7	89%	0.894	75%	0.749	S	S	*	*				-155.5	132.5	100.2	-111.2	-76.5	0	0	0	114.3
1100	Q	22.8	Very low	25.9	Very low	139 Å²	139	145.4 Å²	145.4	65%	0.65	75%	0.747	S	S	*	*			trans	-77.4	171.7	170.2	-92.5	179.3	5.8	0	0	110.6
1101	K	26.5	Very low	25.8	Very low	155 Å²	155	148.7 Å²	148.7	67%	0.674	75%	0.75	S	S	*	*			cis	-166	150.7	19.3	-129.6	163.4	-178.8	135.5	0	112.2
1102	S	25.9	Very low	25.7	Very low	77 Å²	77	148.3 Å²	148.3	54%	0.538	74%	0.743	S	S	.	*			trans	16.2	157	131.8	75.3	0	0	0	0	123.8
1103	H	29.8	Very low	26.2	Very low	158 Å²	158	143.8 Å²	143.8	73%	0.731	74%	0.735	S	S	*	*				172.9	163.4	116.2	-89.2	-40	0	0	0	110.5
1104	L	27.5	Very low	26.4	Very low	140 Å²	140	143.6 Å²	143.6	73%	0.733	73%	0.731	S	S	*	*			cis	-154.6	-169.1	1.7	-129	167.1	0	0	0	110.9
1105	L	29.3	Very low	26.2	Very low	137 Å²	137	143.4 Å²	143.4	72%	0.717	73%	0.725	S	S	*	*			trans	79.8	127.6	176.9	-48.5	-179.6	0	0	0	114.5
1106	Q	28.5	Very low	26.2	Very low	162 Å²	162	144 Å²	144	76%	0.757	73%	0.725	S	S	*	*			cis	-154.8	137.2	-3.5	-135.9	165.4	8.5	0	0	111.9
1107	S	26.6	Very low	26.4	Very low	115 Å²	115	142.4 Å²	142.4	80%	0.804	71%	0.714	S	S	*	*			trans	66.6	141.4	178.9	92.7	0	0	0	0	114.7
1108	S	25.2	Very low	26.6	Very low	104 Å²	104	144.6 Å²	144.6	73%	0.727	71%	0.713	S	S	*	*			cis	-144.7	155.7	-3.4	-68.3	0	0	0	0	111.7
1109	R	22.4	Very low	27	Very low	248 Å²	248	145.4 Å²	145.4	94%	0.936	71%	0.711	S	S	*	*			trans	-122.5	104.6	156.1	-104.6	-171.4	171.4	-165.5	-2.9	108.6
1110	P	28.6	Very low	27.2	Very low	99 Å²	99	141.2 Å²	141.2	64%	0.643	70%	0.699	S	S	*	*				-128.8	148.9	126.4	33.8	-24.5	0	0	0	109.1
1111	Y	23.1	Very low	27.6	Very low	219 Å²	219	140.9 Å²	140.9	86%	0.859	70%	0.698	S	S	*	*			cis	55.5	105	20.2	-106.2	-74.5	0	0	0	115.6
1112	L	22.7	Very low	27.8	Very low	127 Å²	127	139 Å²	139	67%	0.665	70%	0.7	S	S	*	*			trans	69.1	133.1	-163.3	-56.7	160.4	0	0	0	110.4
1113	N	34.7	Very low	27.7	Very low	130 Å²	130	141.8 Å²	141.8	70%	0.695	71%	0.707	S	S	*	*			cis	-139.9	134.1	8.9	-91.3	-34.1	0	0	0	107.2
1114	K	28.5	Very low	27.7	Very low	180 Å²	180	140 Å²	140	78%	0.783	71%	0.708	S	S	*	*			cis	54.1	147.7	19.4	-142.4	-161.8	175.6	-176	0	114.2
1115	I	23.3	Very low	27.7	Very low	105 Å²	105	137.8 Å²	137.8	54%	0.538	70%	0.704	S	S	.	*			trans	65.8	96.2	166.6	-52.2	156.7	0	0	0	113.7
1116	N	24.1	Very low	27.5	Very low	123 Å²	123	137.9 Å²	137.9	66%	0.658	71%	0.705	S	S	*	*				178.3	136.9	112.1	-84.4	-59.3	0	0	0	106.5
1117	K	29	Very low	27.5	Very low	153 Å²	153	137.4 Å²	137.4	67%	0.665	70%	0.702	S	S	*	*	S	Bend	cis	-156.4	161.4	-5.8	-111.2	156.9	177.2	148.9	0	104.8
1118	Q	31.1	Very low	27.6	Very low	155 Å²	155	138.7 Å²	138.7	72%	0.724	70%	0.7	S	S	*	*			cis	-161	157.8	18.6	-126.7	134.1	-13.3	0	0	104.8
1119	N	31.7	Very low	27.7	Very low	100 Å²	100	136.9 Å²	136.9	54%	0.535	70%	0.697	S	S	.	*			cis	-155.8	148.4	-5.2	-125.7	22.9	0	0	0	108
1120	E	29.2	Very low	28	Very low	139 Å²	139	132.6 Å²	132.6	65%	0.65	69%	0.688	S	S	*	*				56.5	143	95.4	-61.1	-165.5	118.1	0	0	115.8
1121	Q	31.2	Very low	27.8	Very low	133 Å²	133	135.2 Å²	135.2	62%	0.621	69%	0.691	S	S	*	*			cis	-156.3	179.6	-10.2	-113.7	-169	69.1	0	0	106.2
1122	T	30.6	Very low	27.9	Very low	116 Å²	116	129.4 Å²	129.4	71%	0.712	69%	0.688	S	S	*	*			cis	-122.5	-161.9	14.9	51.6	0	0	0	0	109.4
1123	L	25.2	Very low	28.2	Very low	134 Å²	134	127 Å²	127	70%	0.702	69%	0.687	S	S	*	*			cis	76.3	135.9	10.2	-52.3	167.8	0	0	0	114.6
1124	T	28.8	Very low	27.9	Very low	122 Å²	122	126.4 Å²	126.4	75%	0.748	69%	0.688	S	S	*	*			cis	-155.7	138	31.7	37.4	0	0	0	0	108.3
1125	S	28.1	Very low	27.7	Very low	93 Å²	93	123.7 Å²	123.7	65%	0.65	69%	0.687	S	S	*	*				98.5	146.8	82.5	-63.9	0	0	0	0	114.5
1126	L	25.4	Very low	27.9	Very low	139 Å²	139	128.6 Å²	128.6	73%	0.728	70%	0.704	S	S	*	*			trans	40.1	146.6	135	-74.1	56.3	0	0	0	119.7
1127	E	28.4	Very low	27.8	Very low	151 Å²	151	130.3 Å²	130.3	71%	0.706	71%	0.713	S	S	*	*			cis	-164.8	-174.4	11.2	-127.1	165.2	174.6	0	0	112.1
1128	L	28.7	Very low	27.7	Very low	143 Å²	143	128 Å²	128	75%	0.749	71%	0.713	S	S	*	*			trans	22.3	132.1	148	-61.6	157.8	0	0	0	119.7
1129	G	27.4	Very low	27.3	Very low	65 Å²	65	124.9 Å²	124.9	67%	0.67	71%	0.709	S	S	*	*			cis	138	165.9	2.5	0	0	0	0	0	112.2
1130	Q	27.4	Very low	26.8	Very low	159 Å²	159	127.3 Å²	127.3	74%	0.743	72%	0.718	S	S	*	*			trans	63.7	151.1	157.6	-64.2	-168.2	-71.6	0	0	118.9
1131	E	25.3	Very low	26.5	Very low	154 Å²	154	128.5 Å²	128.5	72%	0.72	72%	0.722	S	S	*	*			cis	-164.7	150.2	-26.6	-124.9	170.9	-121.5	0	0	109.5
1132	A	24.6	Very low	26.3	Very low	96 Å²	96	131.8 Å²	131.8	79%	0.793	73%	0.728	S	S	*	*			trans	61.8	173.2	158	0	0	0	0	0	116.7
1133	A	29.3	Very low	25.9	Very low	77 Å²	77	131.9 Å²	131.9	64%	0.636	73%	0.725	S	S	*	*			cis	-149	160.3	8.1	0	0	0	0	0	114
1134	T	29.4	Very low	26	Very low	117 Å²	117	131.9 Å²	131.9	72%	0.718	73%	0.73	S	S	*	*			trans	47.7	100.6	148.7	53	0	0	0	0	119.2
1135	T	23.6	Very low	25.9	Very low	124 Å²	124	132.8 Å²	132.8	76%	0.761	73%	0.73	S	S	*	*				56.5	106.4	87.9	62.8	0	0	0	0	116.6
1136	K	27.7	Very low	25.6	Very low	208 Å²	208	134 Å²	134	90%	0.904	73%	0.734	S	S	*	*			trans	-171.3	118.1	134.5	-106	165.8	-177.2	175.8	0	113.1
1137	L	22	Very low	25.7	Very low	159 Å²	159	134.2 Å²	134.2	83%	0.832	74%	0.735	S	S	*	*			trans	-70.1	159.6	131.2	-93.9	81.7	0	0	0	107.5
1138	P	26.7	Very low	25.6	Very low	104 Å²	104	135.1 Å²	135.1	68%	0.675	74%	0.739	S	S	*	*			cis	-143.7	174	25.8	40.8	-20.9	0	0	0	117.5
1139	S	23.1	Very low	25.5	Very low	90 Å²	90	131.5 Å²	131.5	63%	0.629	73%	0.73	S	S	*	*			trans	52.7	123.9	136	69.1	0	0	0	0	123.2
1140	M	21.5	Very low	25.5	Very low	150 Å²	150	134.8 Å²	134.8	74%	0.739	74%	0.737	S	S	*	*				79.3	115.5	125	-73.7	172.7	46.2	0	0	121.6
1141	K	22.9	Very low	25.7	Very low	165 Å²	165	133 Å²	133	72%	0.717	74%	0.737	S	S	*	*				51.8	122.7	126.5	-53	-177.8	-175.2	-173.1	0	118.1
1142	R	25	Very low	26	Very low	202 Å²	202	127.9 Å²	127.9	76%	0.762	73%	0.725	S	S	*	*				-161.6	145.3	81.8	-93.8	-164.7	147.3	97.6	-0.1	110.2
1143	D	23.5	Very low	26.2	Very low	118 Å²	118	127.5 Å²	127.5	63%	0.631	71%	0.71	S	S	*	*				55.1	129.1	101.3	-38.8	-11.7	0	0	0	111.1
1144	T	27.8	Very low	26.2	Very low	133 Å²	133	126.7 Å²	126.7	82%	0.816	70%	0.695	S	S	*	*			cis	-144.8	171.4	35.8	55.2	0	0	0	0	114.3
1145	N	24.9	Very low	26.2	Very low	141 Å²	141	126.1 Å²	126.1	75%	0.754	68%	0.684	S	S	*	*			trans	-54.1	163.9	151.8	-59.6	-13.5	0	0	0	109.5
1146	T	23.3	Very low	26.6	Very low	119 Å²	119	126.1 Å²	126.1	73%	0.73	68%	0.676	S	S	*	*				177.3	172.8	66	-34.3	0	0	0	0	107.3
1147	I	26.9	Very low	26.7	Very low	144 Å²	144	124.1 Å²	124.1	74%	0.738	67%	0.669	S	S	*	*			trans	71.2	145.2	159.9	-67.2	161.9	0	0	0	114.7
1148	E	27	Very low	27.1	Very low	169 Å²	169	119.2 Å²	119.2	79%	0.79	66%	0.657	S	S	*	*			cis	-167.5	161	-23	-98.7	173.8	-124.5	0	0	104.4
1149	A	26.6	Very low	27.1	Very low	68 Å²	68	121.2 Å²	121.2	56%	0.562	66%	0.658	S	S	*	*			cis	-169.2	-174.8	-17.6	0	0	0	0	0	107.1
1150	T	27.7	Very low	27.2	Very low	133 Å²	133	123.7 Å²	123.7	82%	0.816	66%	0.659	S	S	*	*			trans	65.3	143.5	170.8	64	0	0	0	0	116.5
1151	T	30.2	Very low	27.4	Very low	122 Å²	122	123 Å²	123	75%	0.748	66%	0.659	S	S	*	*			cis	-161.5	144.3	-7.6	17.6	0	0	0	0	105.1
1152	G	31.1	Very low	27.6	Very low	46 Å²	46	122.4 Å²	122.4	47%	0.474	66%	0.663	S	S	.	*				103.3	158.4	63.3	0	0	0	0	0	111
1153	D	29.5	Very low	27.6	Very low	89 Å²	89	118.4 Å²	118.4	48%	0.476	66%	0.661	S	S	.	*			cis	-158.4	141.5	-7.4	-78.8	-53.6	0	0	0	115.6	N1857 K1858	D1153-N1857 HydrophobicContact CB-CB 4.21Å; D1153-N1857 WeakPolarHBondContact OD1-CB 3.11Å; D1153-K1858 WeakPolarHBondContact O-CB 3.47Å; D1153-K1858 WeakPolarHBondContact O-CD 3.44Å
1154	D	29	Very low	27.6	Very low	59 Å²	59	117.9 Å²	117.9	32%	0.316	67%	0.667	S	S	.	*			trans	81.9	128.9	176.8	-60.6	-64.6	0	0	0	127.7	N1857 K1858	D1154-N1857 PolarHBondContact OD1-ND2 3.01Å; D1154-N1857 PolarHBondContact OD1-OD1 3.2Å; D1154-N1857 PolarHBondContact OD2-ND2 3.33Å; D1154-K1858 VanDerWaalsContact C-CA 3.48Å; D1154-K1858 VanDerWaalsContact C-NZ 3.26Å; D1154-K1858 VanDerWaalsContact CA-N 3.31Å; D1154-K1858 VanDerWaalsContact N-CB 3.28Å; D1154-K1858 WeakPolarHBondContact O-CA 3.26Å; D1154-K1858 WeakPolarHBondContact O-CB 3.28Å; D1154-K1858 WeakPolarHBondContact O-CD 3.49Å; D1154-K1858 WeakPolarHBondContact O-CE 3.45Å; D1154-K1858 WeakPolarHBondContact O-CG 3.29Å; D1154-K1858 PolarHBondContact O-N 2.63Å; D1154-K1858 PolarHBondContact O-NZ 3.44Å
1155	E	31	Very low	27.5	Very low	106 Å²	106	116.9 Å²	116.9	50%	0.495	66%	0.655	S	S	.	*			trans	64.4	138	147.2	-55.1	140.6	173.9	0	0	122.7	K1858	E1155-K1858 IonicContact OE2-NZ 2.69Å; E1155-K1858 PolarHBondContact OE2-NZ 2.78Å
1156	E	30.9	Very low	27.4	Very low	124 Å²	124	115.6 Å²	115.6	58%	0.579	65%	0.647	S	S	*	*			cis	89.6	165.5	36	-65.8	166.2	153.6	0	0	114.2
1157	E	29.1	Very low	27.4	Very low	166 Å²	166	112.7 Å²	112.7	78%	0.776	63%	0.627	S	S	*	*			cis	-152.3	174.8	-1.4	-133.9	173.4	-166.3	0	0	106.6
1158	G	31.4	Very low	27.4	Very low	56 Å²	56	111.4 Å²	111.4	58%	0.577	62%	0.622	S	S	*	*			cis	-165.4	144.8	-3.1	0	0	0	0	0	107
1159	E	26.9	Very low	27.2	Very low	146 Å²	146	111.7 Å²	111.7	68%	0.682	62%	0.623	S	S	*	*				73.2	112.2	84.3	-59.3	-123.7	120	0	0	112.7
1160	Q	26	Very low	27.1	Very low	142 Å²	142	116 Å²	116	66%	0.664	63%	0.631	S	S	*	*				79	148.7	104.3	-67.5	-180	19.1	0	0	113.2
1161	D	24.8	Very low	27.1	Very low	136 Å²	136	115.8 Å²	115.8	73%	0.727	63%	0.625	S	S	*	*			cis	-146.3	-179.3	-18.6	-106.4	-16.5	0	0	0	106
1162	D	27.7	Very low	27.1	Very low	152 Å²	152	116.8 Å²	116.8	81%	0.813	62%	0.624	S	S	*	*				179.5	178.9	72.7	-145.3	-26.8	0	0	0	112.3
1163	V	25.1	Very low	26.7	Very low	118 Å²	118	120.5 Å²	120.5	72%	0.715	63%	0.633	S	S	*	*			trans	-70	154.8	-157.9	174	0	0	0	0	118.4
1164	S	22.8	Very low	26.3	Very low	107 Å²	107	121.5 Å²	121.5	75%	0.748	65%	0.647	S	S	*	*			trans	-49.1	172.2	173.5	-43.7	0	0	0	0	117.1
1165	I	25.1	Very low	26.2	Very low	111 Å²	111	127.3 Å²	127.3	57%	0.569	67%	0.672	S	S	*	*				-174.5	125	67.5	-74.6	-176.6	0	0	0	111.2
1166	L	22.9	Very low	25.9	Very low	114 Å²	114	131.1 Å²	131.1	60%	0.597	69%	0.69	S	S	*	*			trans	57.9	153.3	151.3	-53.3	172.9	0	0	0	120.5	V1936	L1166-V1936 HydrophobicContact CB-CB 3.93Å; L1166-V1936 HydrophobicContact CB-CG1 4.06Å; L1166-V1936 HydrophobicContact CB-CG2 4.29Å; L1166-V1936 HydrophobicContact CD1-CB 4.43Å; L1166-V1936 HydrophobicContact CD1-CG2 3.94Å
1167	I	23.9	Very low	25.8	Very low	58 Å²	58	132.4 Å²	132.4	30%	0.297	70%	0.699	S	S	.	*			cis	-156.1	173.1	-2.8	-121.9	167.8	0	0	0	115.6	N1935 V1936	I1167-N1935 HydrophobicContact CD1-CB 3.73Å; I1167-N1935 VanDerWaalsContact CD1-N 3.34Å; I1167-N1935 WeakPolarHBondContact CG2-O 3.48Å; I1167-V1936 HydrophobicContact CB-CB 4.31Å; I1167-V1936 WeakPolarHBondContact CB-O 3.32Å; I1167-V1936 WeakPolarHBondContact CG2-O 3.19Å
1168	D	26	Very low	25.5	Very low	118 Å²	118	128.6 Å²	128.6	63%	0.631	69%	0.691	S	S	*	*			trans	-16.1	141.4	161.7	-28.4	-37.6	0	0	0	121.7
1169	Q	22.9	Very low	25.2	Very low	174 Å²	174	133.7 Å²	133.7	81%	0.813	70%	0.7	S	S	*	*				-170.8	149	104.5	-109.6	-171.7	-11.2	0	0	112.8
1170	E	24.4	Very low	25	Very low	159 Å²	159	130.2 Å²	130.2	74%	0.743	69%	0.691	S	S	*	*			trans	63.2	156.8	152.2	-72.1	-145.9	118.3	0	0	120
1171	N	27.9	Very low	25.1	Very low	129 Å²	129	128.2 Å²	128.2	69%	0.69	68%	0.684	S	S	*	*			cis	-164.4	-162.9	-31.3	-139.3	-32.4	0	0	0	108.1
1172	I	30.1	Very low	25	Very low	142 Å²	142	127 Å²	127	73%	0.728	67%	0.674	S	S	*	*			trans	81.7	90.8	160	-42.8	-174	0	0	0	118.9
1173	L	23	Very low	25	Very low	125 Å²	125	123.5 Å²	123.5	65%	0.654	66%	0.655	S	S	*	*				28.2	140.7	114.8	-67	164.7	0	0	0	123.1
1174	S	22.1	Very low	24.9	Very low	110 Å²	110	121.1 Å²	121.1	77%	0.769	64%	0.641	S	S	*	*			trans	62.9	149.7	146.1	-54.5	0	0	0	0	119.1
1175	E	27	Very low	25	Very low	181 Å²	181	120.8 Å²	120.8	85%	0.846	63%	0.627	S	S	*	*			cis	-132.6	167.9	21	-68.2	178.4	119.5	0	0	114
1176	E	23.8	Very low	25.1	Very low	186 Å²	186	121.5 Å²	121.5	87%	0.869	63%	0.632	S	S	*	*			trans	-77.3	141.4	158.6	-58.6	176.1	104.7	0	0	110.7
1177	I	28.6	Very low	25.2	Very low	151 Å²	151	122.5 Å²	122.5	77%	0.774	64%	0.637	S	S	*	*			trans	-160.9	108.5	145.6	-107.6	151.1	0	0	0	109.7
1178	S	24.3	Very low	25.5	Very low	85 Å²	85	125.1 Å²	125.1	59%	0.594	66%	0.658	S	S	*	*				46.2	145.3	112.5	-65.5	0	0	0	0	120.9
1179	Q	23.5	Very low	25.4	Very low	164 Å²	164	124 Å²	124	77%	0.766	66%	0.659	S	S	*	*			cis	-172.6	159.2	-9	-118.7	172.2	31.4	0	0	109.6
1180	S	22.3	Very low	25.5	Very low	73 Å²	73	121 Å²	121	51%	0.51	65%	0.652	S	S	.	*			trans	62.8	179.8	143	-56.9	0	0	0	0	120.3	Q1182	S1180-Q1182 VanDerWaalsContact CB-OE1 3.25Å
1181	I	28.4	Very low	25.5	Very low	99 Å²	99	117.3 Å²	117.3	51%	0.508	65%	0.649	S	S	.	*			trans	59.6	50.8	172.4	-40.7	-176.5	0	0	0	112.6	V1898	I1181-V1898 HydrophobicContact CG2-CG2 4.47Å
1182	Q	23.5	Very low	25.3	Very low	110 Å²	110	117.8 Å²	117.8	51%	0.514	65%	0.652	S	S	.	*				64.2	120.7	58.8	-65.7	162	-73.6	0	0	114.6	S1180	S1180-Q1182 VanDerWaalsContact CB-OE1 3.25Å
1183	L	26.8	Very low	25.1	Very low	80 Å²	80	115.9 Å²	115.9	42%	0.419	65%	0.65	S	S	.	*			trans	-149.9	130.2	-167.5	-58.9	98	0	0	0	117.1	H1894 R1895	L1183-H1894 HydrophobicContact CB-CB 3.52Å; L1183-H1894 HydrophobicContact CD2-CB 3.97Å; L1183-H1894 HydrophobicContact CG-CB 4.38Å; L1183-H1894 PolarHBondContact O-CE1 2.64Å; L1183-H1894 VanDerWaalsContact O-CE1 3.32Å; L1183-H1894 PolarHBondContact O-ND1 2.58Å; L1183-R1895 WeakPolarHBondContact CA-O 3.31Å; L1183-R1895 WeakPolarHBondContact CG-O 3.38Å
1184	T	24.6	Very low	25.1	Very low	67 Å²	67	116.3 Å²	116.3	41%	0.411	65%	0.653	S	S	.	*			trans	-154.7	162.6	169.1	39.4	0	0	0	0	110.2	R1895 H1896	T1184-R1895 CarbonylContact O-C 2.94Å; T1184-R1895 VanDerWaalsContact O-C 3.26Å; T1184-R1895 WeakPolarHBondContact O-CA 3.47Å; T1184-R1895 VanDerWaalsContact O-CB 3.26Å; T1184-R1895 WeakPolarHBondContact O-CB 3.25Å; T1184-R1895 PolarHBondContact O-N 2.72Å; T1184-H1896 VanDerWaalsContact N-CB 3.26Å; T1184-H1896 PolarHBondContact O-N 3.34Å; T1184-H1896 WeakPolarHBondContact OG1-CB 3.34Å; T1184-H1896 PolarHBondContact OG1-ND1 3.37Å
1185	E	24.8	Very low	25.4	Very low	100 Å²	100	116.8 Å²	116.8	47%	0.467	65%	0.651	S	S	.	*			trans	88.5	136	172.6	-60.9	122.2	-114.7	0	0	120.8	R1895 H1896	E1185-R1895 WeakPolarHBondContact O-CB 3.1Å; E1185-H1896 IonicContact OE1-ND1 3.04Å
1186	D	25.7	Very low	25.4	Very low	127 Å²	127	114 Å²	114	68%	0.679	65%	0.646	S	S	*	*			cis	-163.5	160.4	-16.5	-124.2	-5.2	0	0	0	118
1187	I	25.7	Very low	25.4	Very low	134 Å²	134	110.2 Å²	110.2	69%	0.687	64%	0.636	S	S	*	*			trans	54.3	136.4	140.3	-77.6	169.2	0	0	0	119.6
1188	P	30.1	Very low	25.3	Very low	113 Å²	113	110.2 Å²	110.2	73%	0.734	63%	0.634	S	S	*	*			cis	-139.2	166.6	43.6	43.7	-27.2	0	0	0	119.8
1189	S	23.7	Very low	25.3	Very low	96 Å²	96	113.2 Å²	113.2	67%	0.671	64%	0.644	S	S	*	*			trans	-58.2	-170.1	145.9	44.2	0	0	0	0	110.9
1190	V	25.3	Very low	25.2	Very low	110 Å²	110	114.7 Å²	114.7	67%	0.667	65%	0.648	S	S	*	*			cis	-156.4	130.9	40.8	175	0	0	0	0	103.5
1191	A	24.5	Very low	25.6	Very low	82 Å²	82	116.1 Å²	116.1	68%	0.678	66%	0.655	S	S	*	*				54.4	164.2	83.4	0	0	0	0	0	113.3
1192	D	24.7	Very low	25.3	Very low	139 Å²	139	117.8 Å²	117.8	74%	0.743	67%	0.665	S	S	*	*			cis	-159.4	-151.5	16.8	-140.3	-35.5	0	0	0	109.1
1193	C	24.4	Very low	25.2	Very low	102 Å²	102	119.7 Å²	119.7	69%	0.689	68%	0.676	S	S	*	*			trans	103.8	135	140.4	-66.9	0	0	0	0	119.3
1194	N	24.4	Very low	25	Very low	133 Å²	133	121.1 Å²	121.1	71%	0.711	69%	0.688	S	S	*	*			cis	-168.3	-165.5	-18.8	-131	-41.7	0	0	0	110.8
1195	V	27.7	Very low	25	Very low	121 Å²	121	123.4 Å²	123.4	73%	0.733	71%	0.706	S	S	*	*			trans	83	113.1	166.8	-172.4	0	0	0	0	112.4
1196	T	26	Very low	25.3	Very low	122 Å²	122	121.8 Å²	121.8	75%	0.748	72%	0.716	S	S	*	*			cis	-162.6	158.2	8.4	18.9	0	0	0	0	107.5
1197	V	25.4	Very low	25.3	Very low	106 Å²	106	125.9 Å²	125.9	64%	0.642	72%	0.722	S	S	*	*			cis	168.5	161.1	-12.2	134.4	0	0	0	0	104.8
1198	M	24.6	Very low	25.3	Very low	152 Å²	152	123.6 Å²	123.6	75%	0.749	72%	0.718	S	S	*	*			trans	75.5	104.6	170.2	-81.9	177.1	-76.1	0	0	119.1
1199	D	24.8	Very low	25.2	Very low	147 Å²	147	125.4 Å²	125.4	79%	0.786	72%	0.722	S	S	*	*				96.9	128.4	115.5	-63.9	-4.3	0	0	0	123.8
1200	K	21	Very low	25.2	Very low	196 Å²	196	126.4 Å²	126.4	85%	0.852	72%	0.717	S	S	*	*			trans	-55.7	175.7	152.2	-63.1	177.1	171.3	-179.4	0	111.8
1201	P	30.6	Very low	25.2	Very low	103 Å²	103	129.9 Å²	129.9	67%	0.669	72%	0.724	S	S	*	*			cis	-134.7	-174.1	-0.4	32.1	-9.8	0	0	0	114.8
1202	N	22.2	Very low	25.2	Very low	133 Å²	133	133.1 Å²	133.1	71%	0.711	73%	0.729	S	S	*	*			trans	70.6	124.7	136.1	-80.6	14.5	0	0	0	123.3
1203	M	21.7	Very low	25.1	Very low	151 Å²	151	133.5 Å²	133.5	74%	0.744	73%	0.73	S	S	*	*				92.2	119.2	121.4	-73.2	175.5	81.4	0	0	122.4
1204	V	23.5	Very low	25	Very low	110 Å²	110	137.8 Å²	137.8	67%	0.667	74%	0.737	S	S	*	*				83.8	91.4	121	176.4	0	0	0	0	120
1205	S	24.7	Very low	24.9	Very low	115 Å²	115	135.4 Å²	135.4	80%	0.804	74%	0.736	S	S	*	*				86	172	121.6	83.9	0	0	0	0	121.8
1206	G	30	Very low	24.6	Very low	66 Å²	66	138.2 Å²	138.2	68%	0.68	74%	0.741	S	S	*	*			trans	102	75.3	-169	0	0	0	0	0	111.1
1207	R	25.5	Very low	24.4	Very low	212 Å²	212	138.1 Å²	138.1	80%	0.8	74%	0.744	S	S	*	*				56.2	133.2	56.9	-76.5	-170	175.4	177.7	0.2	112.7
1208	S	26.5	Very low	24.4	Very low	87 Å²	87	140.9 Å²	140.9	61%	0.608	76%	0.755	S	S	*	*			cis	-132.9	-177.4	11	-53.7	0	0	0	0	110.6
1209	D	28	Very low	24.4	Very low	150 Å²	150	140.1 Å²	140.1	80%	0.802	75%	0.754	S	S	*	*			cis	-133.7	152.7	7.3	-50.8	-72.9	0	0	0	109.3
1210	M	24.4	Very low	24.5	Very low	117 Å²	117	137.8 Å²	137.8	58%	0.576	76%	0.755	S	S	*	*			cis	85.5	77.8	3.2	-146.9	-171.9	86.8	0	0	119.9
1211	F	23.6	Very low	24.6	Very low	183 Å²	183	135 Å²	135	80%	0.803	75%	0.754	S	S	*	*			trans	66.3	173.7	151.4	-74.5	-101.3	0	0	0	116.4
1212	L	25.9	Very low	24.3	Very low	151 Å²	151	139.2 Å²	139.2	79%	0.791	76%	0.764	S	S	*	*			cis	-142.4	169.9	9.3	-150.9	128.7	0	0	0	113
1213	L	21.6	Very low	24.4	Very low	146 Å²	146	138.1 Å²	138.1	76%	0.764	77%	0.766	S	S	*	*			trans	-73.8	178.7	174.8	-82.3	139	0	0	0	114.6
1214	K	22.4	Very low	24.7	Very low	192 Å²	192	135.9 Å²	135.9	84%	0.835	76%	0.763	S	S	*	*			trans	87.1	106.8	156.8	-73.5	-174.4	176.3	-179.1	0	119.7
1215	A	22.7	Very low	24.7	Very low	84 Å²	84	140.3 Å²	140.3	69%	0.694	77%	0.769	S	S	*	*				78.2	131.9	111.6	0	0	0	0	0	121
1216	E	22.5	Very low	24.6	Very low	180 Å²	180	142 Å²	142	84%	0.841	76%	0.764	S	S	*	*			trans	63.3	98.2	143.6	-66.4	178.7	171.4	0	0	119.5
1217	C	21.2	Very low	24.3	Very low	120 Å²	120	143.3 Å²	143.3	81%	0.811	76%	0.763	S	S	*	*				35.2	112.2	116.2	-64	0	0	0	0	118.4
1218	L	25.7	Very low	24.1	Very low	164 Å²	164	138.4 Å²	138.4	86%	0.859	76%	0.756	S	S	*	*				-158.2	157.7	105.1	-108.2	166.7	0	0	0	112.8
1219	N	24.4	Very low	24	Very low	136 Å²	136	139 Å²	139	73%	0.727	76%	0.761	S	S	*	*			trans	-82.6	142.8	-179	-41.4	-99.6	0	0	0	111.1
1220	A	25.6	Very low	23.9	Very low	98 Å²	98	141 Å²	141	81%	0.81	76%	0.762	S	S	*	*				-149.7	137.9	128.8	0	0	0	0	0	110
1221	V	23.8	Very low	23.9	Very low	138 Å²	138	139 Å²	139	84%	0.836	76%	0.76	S	S	*	*			trans	-92.2	121.5	161.1	169.4	0	0	0	0	106.3
1222	E	23.4	Very low	23.9	Very low	190 Å²	190	137.6 Å²	137.6	89%	0.888	76%	0.756	S	S	*	*			trans	-156	111.4	145.4	-117.2	159.1	-148.8	0	0	110.9
1223	C	24.4	Very low	23.9	Very low	110 Å²	110	137.3 Å²	137.3	74%	0.743	76%	0.755	S	S	*	*			trans	-74.5	159.7	147.9	-61.4	0	0	0	0	107.1
1224	P	29.3	Very low	24	Very low	104 Å²	104	136.1 Å²	136.1	68%	0.675	75%	0.748	S	S	*	*			cis	-152.1	-167.9	34.3	42.8	-20.6	0	0	0	116.7
1225	Y	23.5	Very low	24.2	Very low	203 Å²	203	132 Å²	132	80%	0.796	74%	0.74	S	S	*	*			trans	42.9	136.8	138.1	-71.6	-43.9	0	0	0	121.1
1226	E	22.7	Very low	24.2	Very low	151 Å²	151	132.6 Å²	132.6	71%	0.706	74%	0.74	S	S	*	*			cis	-166.3	158.2	-3.1	-163.3	170.7	-136.7	0	0	110.2
1227	S	23	Very low	24.2	Very low	94 Å²	94	130.5 Å²	130.5	66%	0.657	73%	0.73	S	S	*	*			trans	67.7	178.6	157.6	95.7	0	0	0	0	115.2
1228	T	22.3	Very low	24.6	Very low	108 Å²	108	133.8 Å²	133.8	66%	0.663	73%	0.726	S	S	*	*			cis	-126.4	122.5	-9.5	-10.8	0	0	0	0	109.8
1229	S	23.9	Very low	24.6	Very low	101 Å²	101	132 Å²	132	71%	0.706	72%	0.722	S	S	*	*			trans	-18.1	134.3	142.3	58	0	0	0	0	116.5
1230	K	25.7	Very low	24.6	Very low	190 Å²	190	132.7 Å²	132.7	83%	0.826	73%	0.726	S	S	*	*			trans	-169.2	143.3	143.3	-102.7	141.3	-177.3	178.6	0	109.1
1231	S	23.2	Very low	24.9	Very low	75 Å²	75	132.5 Å²	132.5	52%	0.524	72%	0.717	S	S	.	*			cis	-177.3	142.9	-9.1	38.2	0	0	0	0	112.8
1232	Q	23.9	Very low	25	Very low	155 Å²	155	134.7 Å²	134.7	72%	0.724	72%	0.718	S	S	*	*			trans	63.6	178.4	141.1	-63.1	163.6	-16.4	0	0	114.7	I1234	Q1232-I1234 HydrophobicContact CB-CD1 4.26Å; Q1232-I1234 HydrophobicContact CG-CD1 3.86Å
1233	L	26.6	Very low	25.2	Very low	145 Å²	145	131.7 Å²	131.7	76%	0.759	71%	0.713	S	S	*	*			cis	-111.5	155.9	-4.2	-78.7	80.6	0	0	0	108.6
1234	I	22.9	Very low	25.5	Very low	121 Å²	121	131.7 Å²	131.7	62%	0.621	71%	0.712	S	S	*	*			cis	65	144.2	46.4	-53.3	168.7	0	0	0	109.9	Q1232	Q1232-I1234 HydrophobicContact CB-CD1 4.26Å; Q1232-I1234 HydrophobicContact CG-CD1 3.86Å
1235	P	28.2	Very low	25.2	Very low	105 Å²	105	134.1 Å²	134.1	68%	0.682	72%	0.718	S	S	*	*			cis	-104	171.1	-0.8	13.1	12.6	0	0	0	112.3
1236	S	22.3	Very low	25.2	Very low	97 Å²	97	129.7 Å²	129.7	68%	0.678	72%	0.715	S	S	*	*				57.7	150.3	55.9	80.7	0	0	0	0	113.9
1237	Q	22.9	Very low	25.3	Very low	135 Å²	135	129.7 Å²	129.7	63%	0.631	72%	0.72	S	S	*	*			cis	-154.6	-170.1	33.5	-61.7	176.2	-55.3	0	0	111.8
1238	Y	28.3	Very low	25.9	Very low	189 Å²	189	129.8 Å²	129.8	74%	0.741	72%	0.719	S	S	*	*			trans	74.6	138.6	158.7	-59.7	-60.7	0	0	0	119.9
1239	T	25.7	Very low	25.9	Very low	126 Å²	126	131.5 Å²	131.5	77%	0.773	72%	0.723	S	S	*	*			cis	-160.7	159.7	-29.1	-3.7	0	0	0	0	111.2
1240	N	25.9	Very low	25.9	Very low	151 Å²	151	133.9 Å²	133.9	81%	0.807	72%	0.723	S	S	*	*			trans	-66.3	169.5	161	-122.2	-19.4	0	0	0	110.8
1241	P	30.8	Very low	25.7	Very low	95 Å²	95	131.1 Å²	131.1	62%	0.617	72%	0.716	S	S	*	*			cis	-156.6	-168	44.7	45.7	-23.7	0	0	0	118.6
1242	Q	26	Very low	25.8	Very low	183 Å²	183	132.5 Å²	132.5	86%	0.855	72%	0.718	S	S	*	*			trans	86.3	123	145.8	-84	164.5	-1.9	0	0	122
1243	T	28.7	Very low	26.1	Very low	128 Å²	128	134.2 Å²	134.2	79%	0.785	72%	0.718	S	S	*	*			trans	-88.7	172.4	160.5	57.5	0	0	0	0	110.1
1244	P	28.7	Very low	25.9	Very low	110 Å²	110	134.2 Å²	134.2	71%	0.714	72%	0.717	S	S	*	*				-159.3	177.5	90.8	42.2	-22.4	0	0	0	118.4
1245	L	23.4	Very low	26.4	Very low	155 Å²	155	132.7 Å²	132.7	81%	0.812	72%	0.715	S	S	*	*			trans	80	115.3	142.6	-111.2	70.6	0	0	0	123.5
1246	C	23.2	Very low	26.1	Very low	110 Å²	110	135.1 Å²	135.1	74%	0.743	72%	0.718	S	S	*	*			trans	49.1	122.7	132	-62.2	0	0	0	0	123.3
1247	D	24.7	Very low	26.1	Very low	151 Å²	151	137 Å²	137	81%	0.807	72%	0.716	S	S	*	*				21.8	156.4	100.3	-87.2	-17.6	0	0	0	120.6
1248	P	36.5	Very low	26.1	Very low	96 Å²	96	136.9 Å²	136.9	62%	0.623	72%	0.718	S	S	*	*			cis	-133.5	-157.2	-7.2	27.4	-2	0	0	0	111.9
1249	L	21.7	Very low	25.9	Very low	143 Å²	143	133.1 Å²	133.1	75%	0.749	72%	0.719	S	S	*	*			trans	75.8	154.7	164.8	-48.8	175.6	0	0	0	114.6
1250	Q	24.4	Very low	25.8	Very low	151 Å²	151	134.1 Å²	134.1	71%	0.706	72%	0.718	S	S	*	*			cis	-151.6	-178.6	-0.1	-138.1	165.2	9.9	0	0	112
1251	L	22.1	Very low	25.5	Very low	132 Å²	132	133.6 Å²	133.6	69%	0.691	72%	0.716	S	S	*	*			trans	-18.1	135.4	138.1	-80.2	60	0	0	0	112.1
1252	D	25.8	Very low	25.2	Very low	105 Å²	105	135.9 Å²	135.9	56%	0.561	72%	0.72	S	S	*	*				-171.7	165.4	50.3	-97.9	-33.9	0	0	0	106.8
1253	R	29.6	Very low	25	Very low	191 Å²	191	133 Å²	133	72%	0.721	71%	0.71	S	S	*	*			cis	-157.8	144	-8.5	-127.6	168.2	-114.5	-177.5	9.6	105
1254	I	23.2	Very low	24.8	Very low	144 Å²	144	132.4 Å²	132.4	74%	0.738	71%	0.706	S	S	*	*			cis	61	123.8	46	-68	177	0	0	0	111.5
1255	P	33.2	Very low	24.5	Very low	90 Å²	90	134.9 Å²	134.9	58%	0.584	71%	0.708	S	S	*	*			cis	-145.7	-150.2	-22.7	36.4	-12.7	0	0	0	111.5
1256	E	21.6	Very low	24.6	Very low	156 Å²	156	133 Å²	133	73%	0.729	70%	0.704	S	S	*	*			trans	70.8	151.1	134.9	-83.5	177.2	-177	0	0	121.6
1257	Q	21.2	Very low	24.5	Very low	137 Å²	137	133.5 Å²	133.5	64%	0.64	70%	0.699	S	S	*	*			cis	-165.2	-161.7	-16.7	-146.1	174.5	60.2	0	0	108.8
1258	I	24.1	Very low	24.4	Very low	131 Å²	131	132.5 Å²	132.5	67%	0.672	69%	0.689	S	S	*	*			trans	66.5	91.2	152.5	-66.6	149.6	0	0	0	114.4
1259	S	24.2	Very low	23.8	Very low	111 Å²	111	135.1 Å²	135.1	78%	0.776	69%	0.691	S	S	*	*			trans	-56.4	138.1	139.4	-38.1	0	0	0	0	109.3
1260	I	22.3	Very low	24	Very low	147 Å²	147	133.7 Å²	133.7	75%	0.754	69%	0.688	S	S	*	*			trans	-178.9	133.8	142.1	-98.4	153.4	0	0	0	110.1
1261	D	20.6	Very low	24.3	Very low	140 Å²	140	132.3 Å²	132.3	75%	0.749	69%	0.685	S	S	*	*			trans	64.4	136.6	153.5	-76.4	2.3	0	0	0	124.9
1262	M	23.8	Very low	24.8	Very low	142 Å²	142	131.7 Å²	131.7	70%	0.7	68%	0.683	S	S	*	*			trans	70.8	99.7	132.8	-63.6	-88.2	-87.1	0	0	120.1
1263	N	22.2	Very low	24.8	Very low	124 Å²	124	132 Å²	132	66%	0.663	69%	0.689	S	S	*	*				69.4	156.1	122.8	-63.3	-9.7	0	0	0	120.8
1264	T	25.1	Very low	24.8	Very low	114 Å²	114	128 Å²	128	70%	0.699	69%	0.685	S	S	*	*			trans	58.4	104	160.8	42.5	0	0	0	0	115.1
1265	E	22	Very low	25.1	Very low	162 Å²	162	128.9 Å²	128.9	76%	0.757	69%	0.686	S	S	*	*				59	129.4	79.1	-71.8	-166.1	129.6	0	0	112.9
1266	T	24.3	Very low	24.8	Very low	116 Å²	116	129.9 Å²	129.9	71%	0.712	69%	0.69	S	S	*	*			trans	67.3	143.1	159.4	68.4	0	0	0	0	115.7
1267	N	22.4	Very low	25	Very low	121 Å²	121	127.1 Å²	127.1	65%	0.647	69%	0.688	S	S	*	*			cis	-160.2	-178.1	-11.4	-122.2	-14	0	0	0	109.5
1268	E	23.2	Very low	25.3	Very low	130 Å²	130	126.6 Å²	126.6	61%	0.607	69%	0.689	S	S	*	*			trans	35.2	134.8	132.7	-61.3	-173.8	158.6	0	0	119.3
1269	K	23.7	Very low	25.3	Very low	151 Å²	151	126.9 Å²	126.9	66%	0.657	69%	0.687	S	S	*	*			cis	179.1	-168.4	24.1	-128.1	167.6	-161.8	150.3	0	108.1
1270	V	25.8	Very low	25.4	Very low	112 Å²	112	129.2 Å²	129.2	68%	0.679	68%	0.683	S	S	*	*			trans	67.3	118	139.3	158.9	0	0	0	0	115.6
1271	N	29.9	Very low	25.9	Very low	123 Å²	123	126.9 Å²	126.9	66%	0.658	68%	0.678	S	S	*	*			cis	-165.7	171.1	5.4	-126.7	0.9	0	0	0	113.9
1272	N	32.2	Very low	26.1	Very low	118 Å²	118	125.6 Å²	125.6	63%	0.631	68%	0.675	S	S	*	*			trans	71.1	113.2	154.7	-61.6	-5.4	0	0	0	115.8
1273	T	26.4	Very low	26.2	Very low	112 Å²	112	125.8 Å²	125.8	69%	0.687	68%	0.678	S	S	*	*				63.5	135.7	60.4	77.9	0	0	0	0	111.5
1274	T	29	Very low	26.2	Very low	106 Å²	106	126.1 Å²	126.1	65%	0.65	68%	0.679	S	S	*	*			cis	-167	-172.6	11.4	3.9	0	0	0	0	107.7
1275	H	29.5	Very low	26.3	Very low	164 Å²	164	128.7 Å²	128.7	76%	0.759	68%	0.683	S	S	*	*			cis	-162.7	167.7	10.9	-119.2	-42.4	0	0	0	105.2
1276	V	27.1	Very low	26.5	Very low	110 Å²	110	127.6 Å²	127.6	67%	0.667	68%	0.683	S	S	*	*			cis	-161.3	169.9	0.7	72.9	0	0	0	0	104.1	I1278	V1276-I1278 HydrophobicContact CG2-CG1 4.5Å
1277	S	26.7	Very low	27.1	Very low	99 Å²	99	126 Å²	126	69%	0.692	67%	0.674	S	S	*	*			cis	-154.6	169.3	20.9	-81.8	0	0	0	0	108.8
1278	I	27	Very low	27.2	Very low	126 Å²	126	125.2 Å²	125.2	65%	0.646	68%	0.677	S	S	*	*			cis	-152.7	113.1	-27.3	-91.7	-95.3	0	0	0	102.1	V1276	V1276-I1278 HydrophobicContact CG2-CG1 4.5Å
1279	E	24.7	Very low	27.2	Very low	137 Å²	137	130.4 Å²	130.4	64%	0.64	69%	0.691	S	S	*	*			trans	56	151.8	130.7	-52	-147.3	147.8	0	0	121.5
1280	K	26	Very low	27.2	Very low	159 Å²	159	127.6 Å²	127.6	69%	0.691	69%	0.691	S	S	*	*			cis	-161.6	177.2	-6.6	-112.8	-177.9	-175.7	138.9	0	109.5
1281	P	33.3	Very low	27.1	Very low	99 Å²	99	128.3 Å²	128.3	64%	0.643	70%	0.695	S	S	*	*			trans	-140.3	-173.3	-137.7	34.4	-7.5	0	0	0	116.5
1282	T	24.9	Very low	26.8	Very low	113 Å²	113	127.6 Å²	127.6	69%	0.693	70%	0.695	S	S	*	*			trans	47.3	142.2	138.7	53.2	0	0	0	0	124.8
1283	L	23.9	Very low	26.5	Very low	146 Å²	146	133.4 Å²	133.4	76%	0.764	71%	0.708	S	S	*	*			trans	93.7	121.1	133.4	-80.9	162.6	0	0	0	122.4
1284	L	24.1	Very low	26.4	Very low	130 Å²	130	134.7 Å²	134.7	68%	0.681	71%	0.71	S	S	*	*				72	131.2	124	-131.7	74.5	0	0	0	124.3
1285	E	25.7	Very low	26.3	Very low	168 Å²	168	135.7 Å²	135.7	79%	0.785	72%	0.721	S	S	*	*			trans	60.6	123	143.5	-83.4	161.3	-145.5	0	0	124.5
1286	D	27.6	Very low	26.1	Very low	139 Å²	139	131.5 Å²	131.5	74%	0.743	72%	0.722	S	S	*	*			trans	-77	166.4	158.8	-46.3	-72.6	0	0	0	111.5
1287	P	36.1	Very low	26	Very low	82 Å²	82	129.8 Å²	129.8	53%	0.532	73%	0.726	S	S	.	*			cis	-152.4	-170.9	23.1	47.2	-27.2	0	0	0	118.7
1288	C	23.9	Very low	26	Very low	105 Å²	105	130.7 Å²	130.7	71%	0.709	73%	0.727	S	S	*	*			trans	68.1	84.7	150.5	-71.5	0	0	0	0	119.7
1289	W	23.3	Very low	25.9	Very low	239 Å²	239	131.1 Å²	131.1	91%	0.905	73%	0.731	S	S	*	*				64.5	100.1	122.7	-76.5	50.1	0	0	0	119.3
1290	S	23.5	Very low	26.1	Very low	92 Å²	92	132.1 Å²	132.1	64%	0.643	74%	0.736	S	S	*	*				53.6	122.8	129.4	61.9	0	0	0	0	120.5
1291	T	24.2	Very low	26.2	Very low	127 Å²	127	131 Å²	131	78%	0.779	74%	0.737	S	S	*	*				-178.5	127.6	88.2	-68.6	0	0	0	0	113.5
1292	V	24.6	Very low	26	Very low	108 Å²	108	133.8 Å²	133.8	66%	0.655	74%	0.742	S	S	*	*			trans	0.5	131.8	148.4	-177.5	0	0	0	0	119.9	I1294	V1292-I1294 HydrophobicContact CG1-CD1 3.71Å; V1292-I1294 HydrophobicContact CG1-CG1 3.62Å
1293	R	24.5	Very low	26.1	Very low	241 Å²	241	134.9 Å²	134.9	91%	0.909	74%	0.744	S	S	*	*			trans	-144.3	126.7	133.3	-85.7	-177.5	177.2	164.5	-1	107.5
1294	I	24.6	Very low	26.1	Very low	139 Å²	139	134.4 Å²	134.4	71%	0.713	74%	0.742	S	S	*	*			cis	82.9	105.7	46.9	-64.7	160.4	0	0	0	113.1	V1292	V1292-I1294 HydrophobicContact CG1-CD1 3.71Å; V1292-I1294 HydrophobicContact CG1-CG1 3.62Å
1295	S	26.8	Very low	26.1	Very low	126 Å²	126	134 Å²	134	88%	0.881	74%	0.74	S	S	*	*			trans	-179.3	115.4	145.7	56	0	0	0	0	108.3
1296	G	25.5	Very low	26	Very low	77 Å²	77	131 Å²	131	79%	0.794	74%	0.738	S	S	*	*			cis	175.2	178.8	-5.5	0	0	0	0	0	108.5
1297	G	25.1	Very low	25.8	Very low	73 Å²	73	130 Å²	130	75%	0.753	74%	0.74	S	S	*	*			cis	-107.1	-146.2	-16.4	0	0	0	0	0	110.8
1298	V	26	Very low	25.5	Very low	118 Å²	118	132 Å²	132	72%	0.715	75%	0.747	S	S	*	*			cis	-148.3	125.2	11	170.9	0	0	0	0	107.6
1299	D	26.5	Very low	25.8	Very low	135 Å²	135	132.5 Å²	132.5	72%	0.722	75%	0.748	S	S	*	*			trans	53.3	148.3	151.1	-45.6	-8.8	0	0	0	119.2
1300	E	28.1	Very low	25.9	Very low	158 Å²	158	125.8 Å²	125.8	74%	0.738	73%	0.734	S	S	*	*			cis	-160.1	152.1	-7.5	-114.4	166.6	-169.9	0	0	108.1
1301	D	28.9	Very low	26	Very low	135 Å²	135	127.7 Å²	127.7	72%	0.722	74%	0.742	S	S	*	*			trans	26.1	156.9	131.8	-51.4	-6.7	0	0	0	121.5
1302	E	27.7	Very low	26.1	Very low	159 Å²	159	125.3 Å²	125.3	74%	0.743	74%	0.742	S	S	*	*			cis	-161.7	167.3	-16.4	-114.5	-174.9	169.3	0	0	108.9
1303	D	27	Very low	26.2	Very low	136 Å²	136	125.5 Å²	125.5	73%	0.727	74%	0.743	S	S	*	*			trans	51	131.9	145.8	-74.8	8.8	0	0	0	126.3
1304	D	24.7	Very low	26.2	Very low	135 Å²	135	121 Å²	121	72%	0.722	74%	0.736	S	S	*	*			trans	90.2	135.5	131.3	-108.8	-0.2	0	0	0	126.5
1305	N	25	Very low	26.2	Very low	122 Å²	122	124.9 Å²	124.9	65%	0.652	74%	0.742	S	S	*	*			trans	58.9	99.4	144.6	-80.7	-51.7	0	0	0	123.1
1306	S	22.1	Very low	26.2	Very low	106 Å²	106	124.7 Å²	124.7	74%	0.741	74%	0.735	S	S	*	*				83.4	165.2	128.4	82.4	0	0	0	0	120.8
1307	C	23.3	Very low	26.4	Very low	116 Å²	116	129.4 Å²	129.4	78%	0.784	74%	0.742	S	S	*	*			trans	70	114.9	171.7	-64.2	0	0	0	0	118.9
1308	D	29.7	Very low	26.3	Very low	126 Å²	126	132.7 Å²	132.7	67%	0.674	74%	0.741	S	S	*	*			trans	-62	141.4	152.5	-178.9	44.6	0	0	0	109.6	T1310	D1308-T1310 PolarHBondContact OD1-N 2.7Å; D1308-T1310 WeakPolarHBondContact OD2-CG2 2.93Å; D1308-T1310 PolarHBondContact OD2-OG1 3.11Å
1309	P	30.8	Very low	26.6	Very low	114 Å²	114	132 Å²	132	74%	0.74	74%	0.74	S	S	*	*				-143.3	113.5	104.8	34.7	-18.7	0	0	0	115.3
1310	T	25.4	Very low	26.7	Very low	98 Å²	98	132.8 Å²	132.8	60%	0.601	74%	0.739	S	S	*	*				16.2	155.3	118.4	42.3	0	0	0	0	121.4	D1308	D1308-T1310 PolarHBondContact OD1-N 2.7Å; D1308-T1310 WeakPolarHBondContact OD2-CG2 2.93Å; D1308-T1310 PolarHBondContact OD2-OG1 3.11Å
1311	V	24.7	Very low	26.8	Very low	133 Å²	133	133 Å²	133	81%	0.806	74%	0.744	S	S	*	*			trans	81.2	119.1	169.8	-165.4	0	0	0	0	114.5	V1313	V1311-V1313 HydrophobicContact CG1-CB 4.35Å
1312	G	26.4	Very low	26.9	Very low	76 Å²	76	134.1 Å²	134.1	78%	0.784	75%	0.75	S	S	*	*			cis	159	-146.1	1.3	0	0	0	0	0	109.6
1313	V	26.5	Very low	27.1	Very low	112 Å²	112	133.6 Å²	133.6	68%	0.679	75%	0.752	S	S	*	*			cis	-165.7	133.1	-17.3	101.4	0	0	0	0	108.7	V1311	V1311-V1313 HydrophobicContact CG1-CB 4.35Å
1314	L	25	Very low	27.2	Very low	148 Å²	148	131 Å²	131	78%	0.775	74%	0.742	S	S	*	*			trans	62.1	164.8	166.2	-54.8	172.8	0	0	0	116.7
1315	R	25.6	Very low	27.4	Very low	220 Å²	220	128.4 Å²	128.4	83%	0.83	74%	0.739	S	S	*	*			cis	-134.1	-147.1	-4.3	-147.3	169.2	-174.8	158.6	3	111.1
1316	T	25.9	Very low	27.4	Very low	121 Å²	121	130.5 Å²	130.5	74%	0.742	75%	0.751	S	S	*	*			trans	-153	147.4	-164.7	52	0	0	0	0	112
1317	L	29.8	Very low	27.6	Very low	176 Å²	176	133.3 Å²	133.3	92%	0.921	76%	0.756	S	S	*	*			trans	-115.6	131.6	157.2	-95.7	172.6	0	0	0	110.8
1318	L	24.5	Very low	27.9	Very low	142 Å²	142	133.2 Å²	133.2	74%	0.743	75%	0.754	S	S	*	*			trans	-115.1	174.3	159.5	-81.7	166.6	0	0	0	105.6
1319	P	31.9	Very low	27.7	Very low	105 Å²	105	131.2 Å²	131.2	68%	0.682	76%	0.755	S	S	*	*			cis	-93	-164.9	1.3	42.1	-38.5	0	0	0	111.6
1320	Q	28.9	Very low	27.5	Very low	150 Å²	150	134.7 Å²	134.7	70%	0.701	76%	0.764	S	S	*	*			cis	-129.5	155.3	0.9	-83	-67.8	8.7	0	0	111
1321	L	29.8	Very low	27.5	Very low	162 Å²	162	136.6 Å²	136.6	85%	0.848	77%	0.769	S	S	*	*			trans	175.5	118.7	143	-102.3	163.3	0	0	0	110.2
1322	N	30.2	Very low	27.6	Very low	159 Å²	159	136.7 Å²	136.7	85%	0.85	76%	0.76	S	S	*	*			trans	-103.9	100.8	-179.8	-95.5	-35.2	0	0	0	112.3
1323	L	32.4	Very low	27.8	Very low	149 Å²	149	142.3 Å²	142.3	78%	0.78	77%	0.766	S	S	*	*			trans	-148.2	148.6	165.6	-102.7	166.2	0	0	0	105.8
1324	P	29.2	Very low	27.8	Very low	82 Å²	82	141.3 Å²	141.3	53%	0.532	76%	0.762	S	S	.	*				-157.9	160.9	72.9	41.7	-21.6	0	0	0	118.8
1325	A	28.1	Very low	28.1	Very low	79 Å²	79	141.5 Å²	141.5	65%	0.653	77%	0.768	S	S	*	*			trans	35.2	118.4	138.4	0	0	0	0	0	121.1
1326	N	26.1	Very low	28.2	Very low	167 Å²	167	134.7 Å²	134.7	89%	0.893	76%	0.76	S	S	*	*			trans	-155.1	73.3	147.5	-115.5	0	0	0	0	111.9
1327	L	25.3	Very low	28.4	Very low	165 Å²	165	134.1 Å²	134.1	86%	0.864	76%	0.759	S	S	*	*			trans	-150.9	159.5	163.7	-100.7	115.8	0	0	0	106.4
1328	P	29.1	Very low	28.3	Very low	114 Å²	114	135.6 Å²	135.6	74%	0.74	76%	0.759	S	S	*	*			cis	-130.4	-159.4	17.8	43	-26.5	0	0	0	114.5
1329	A	25.7	Very low	28.6	Very low	83 Å²	83	134.7 Å²	134.7	69%	0.686	76%	0.759	S	S	*	*			trans	72.4	83.7	161.7	0	0	0	0	0	118.7
1330	M	26.7	Very low	28.6	Very low	188 Å²	188	136.1 Å²	136.1	93%	0.926	77%	0.766	S	S	*	*			trans	-111.1	69	141.9	-85.9	-167.4	66.5	0	0	109.9
1331	I	25.4	Very low	28.6	Very low	138 Å²	138	137 Å²	137	71%	0.708	77%	0.767	S	S	*	*			trans	-109.4	122.9	166.4	-65.9	176	0	0	0	106.5
1332	H	27.7	Very low	28.5	Very low	135 Å²	135	134.9 Å²	134.9	63%	0.625	76%	0.756	S	S	*	*			trans	60.9	100	-177.4	-50.9	-47.7	0	0	0	117.8
1333	Q	29.5	Very low	28.7	Very low	194 Å²	194	131.8 Å²	131.8	91%	0.907	75%	0.745	S	S	*	*			trans	-156.9	148.3	131.9	-110	177.2	29.9	0	0	110.8
1334	P	27.6	Very low	28.4	Very low	90 Å²	90	132.2 Å²	132.2	58%	0.584	75%	0.748	S	S	*	*			trans	-96	153.2	-166.5	36.5	-35	0	0	0	114.6	A1336	P1334-A1336 PolarHBondContact O-N 3.47Å
1335	V	30.9	Very low	28.3	Very low	152 Å²	152	136.9 Å²	136.9	92%	0.921	77%	0.768	S	S	*	*	S	Bend	trans	-77	71	172.8	-171	0	0	0	0	110.6
1336	A	27.9	Very low	28.3	Very low	78 Å²	78	141.5 Å²	141.5	65%	0.645	78%	0.78	S	S	*	*			trans	-145.2	26.8	-176.2	0	0	0	0	0	114.3	P1334	P1334-A1336 PolarHBondContact O-N 3.47Å
1337	C	29.4	Very low	28.4	Very low	108 Å²	108	138 Å²	138	73%	0.73	78%	0.775	S	S	*	*			trans	-150.6	31.8	177.8	-102.4	0	0	0	0	116.6	T1339	C1337-T1339 PolarHBondContact O-N 3.38Å
1338	F	27.4	Very low	28.8	Very low	208 Å²	208	135.8 Å²	135.8	91%	0.912	77%	0.771	S	S	*	*			trans	-79.5	67.6	158.4	-84.7	-63.1	0	0	0	110.5	V1340	F1338-V1340 PolarHBondContact O-N 3.47Å
1339	T	30.6	Very low	28.8	Very low	122 Å²	122	136.4 Å²	136.4	75%	0.748	78%	0.775	S	S	*	*			trans	-72.9	104.1	171.7	49	0	0	0	0	109.8	C1337	C1337-T1339 PolarHBondContact O-N 3.38Å
1340	V	33.4	Very low	28.8	Very low	136 Å²	136	141 Å²	141	82%	0.824	78%	0.781	S	S	*	*			trans	-50.9	136.2	164.6	174	0	0	0	0	110	F1338	F1338-V1340 PolarHBondContact O-N 3.47Å
1341	K	27.8	Very low	28.8	Very low	167 Å²	167	140.6 Å²	140.6	73%	0.726	78%	0.775	S	S	*	*			trans	-171.3	153.6	148.9	-100.5	171.5	162.1	-75.8	0	108.6
1342	D	28.5	Very low	28.8	Very low	118 Å²	118	141.7 Å²	141.7	63%	0.631	78%	0.779	S	S	*	*			cis	-138.6	-179.5	4.6	-122.1	-32.1	0	0	0	109.6
1343	P	33.7	Very low	28.6	Very low	94 Å²	94	141.1 Å²	141.1	61%	0.61	79%	0.785	S	S	*	*				-127.5	168.4	-127.4	39.2	-21	0	0	0	115.2
1344	N	26.5	Very low	29	Very low	158 Å²	158	136.2 Å²	136.2	85%	0.845	77%	0.77	S	S	*	*			trans	174.5	93.6	133.1	-93.9	-41.8	0	0	0	110.9
1345	L	27.8	Very low	28.8	Very low	180 Å²	180	142.1 Å²	142.1	94%	0.942	78%	0.783	S	S	*	*			trans	-169	83.8	153.7	-108.4	165.9	0	0	0	109
1346	L	27.1	Very low	28.5	Very low	176 Å²	176	139.6 Å²	139.6	92%	0.921	77%	0.772	S	S	*	*			trans	-109.9	126.3	171.5	-85.5	169.4	0	0	0	109.2
1347	A	28.9	Very low	28.3	Very low	93 Å²	93	141.1 Å²	141.1	77%	0.769	78%	0.778	S	S	*	*			trans	152	114.8	141.9	0	0	0	0	0	111.6
1348	P	32.9	Very low	28	Very low	120 Å²	120	142 Å²	142	78%	0.779	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-87.7	147.4	156.5	35.1	-30.5	0	0	0	110.7
1349	P	29.2	Very low	27.9	Very low	127 Å²	127	141.5 Å²	141.5	83%	0.825	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-93.7	140.9	164.2	34.5	-30	0	0	0	111.6
1350	E	26.3	Very low	28.1	Very low	178 Å²	178	139.8 Å²	139.8	83%	0.832	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-89.1	147.7	171.5	-57.8	172.1	120.3	0	0	110.7
1351	F	27.1	Very low	27.7	Very low	181 Å²	181	145.3 Å²	145.3	79%	0.794	78%	0.779	S	S	*	*				-174.5	136.9	121.3	-119.4	-120.8	0	0	0	114.1
1352	M	24.1	Very low	27.6	Very low	161 Å²	161	147.3 Å²	147.3	79%	0.793	78%	0.782	S	S	*	*			trans	49.1	125	153.4	-67.1	-175.7	76.9	0	0	123.3
1353	T	23.2	Very low	27.3	Very low	123 Å²	123	147.6 Å²	147.6	76%	0.755	79%	0.794	S	S	*	*			trans	-93.6	-172.3	152.9	54.1	0	0	0	0	109.8
1354	P	37.7	Very low	26.9	Very low	91 Å²	91	147 Å²	147	59%	0.591	79%	0.792	S	S	*	*			cis	-129.7	-179.2	-46.3	30.1	-11.4	0	0	0	112.5
1355	Y	25.1	Very low	27	Very low	214 Å²	214	147.2 Å²	147.2	84%	0.839	79%	0.793	S	S	*	*				173.5	160.1	114.6	-100	-70.5	0	0	0	115.6
1356	S	23.6	Very low	26.9	Very low	99 Å²	99	142.5 Å²	142.5	69%	0.692	79%	0.788	S	S	*	*			trans	54.9	92.9	162	63.2	0	0	0	0	121.2
1357	S	23.1	Very low	26.8	Very low	110 Å²	110	139.2 Å²	139.2	77%	0.769	79%	0.786	S	S	*	*				47.6	101.6	124.7	61.8	0	0	0	0	121.1
1358	S	24.7	Very low	26.7	Very low	125 Å²	125	139.7 Å²	139.7	87%	0.874	79%	0.79	S	S	*	*				-166.5	142.5	109.4	53.2	0	0	0	0	112.8
1359	F	24.5	Very low	26.3	Very low	199 Å²	199	140.5 Å²	140.5	87%	0.873	79%	0.788	S	S	*	*			trans	-126.2	165.6	168.2	-97.7	-71.2	0	0	0	106.7
1360	P	35.4	Very low	26.2	Very low	85 Å²	85	142.4 Å²	142.4	55%	0.552	79%	0.79	S	S	*	*			cis	-130.8	174.7	-15.3	38.8	-24.3	0	0	0	113.2
1361	R	24.1	Very low	26.1	Very low	252 Å²	252	141.6 Å²	141.6	95%	0.951	79%	0.787	S	S	*	*			trans	-157.5	149	136.9	-112	171.1	-155.8	-93.9	-0.6	111.3
1362	R	25.4	Very low	26.3	Very low	210 Å²	210	137.4 Å²	137.4	79%	0.792	78%	0.777	S	S	*	*			trans	-115.2	139.8	177.6	-167.7	-172.3	-159.7	-115.4	10.2	107.9
1363	S	23.6	Very low	26.2	Very low	124 Å²	124	137 Å²	137	87%	0.867	78%	0.777	S	S	*	*			trans	-156.1	143.4	158.2	-85.9	0	0	0	0	108.1
1364	S	25.5	Very low	26.2	Very low	82 Å²	82	139.9 Å²	139.9	57%	0.573	78%	0.782	S	S	*	*			trans	-92.8	161.6	179.4	-49.3	0	0	0	0	112.1
1365	D	28.4	Very low	26.2	Very low	161 Å²	161	145.9 Å²	145.9	86%	0.861	79%	0.793	S	S	*	*			trans	49.6	115.9	146.9	-48.6	-26.9	0	0	0	120.5
1366	G	25	Very low	26.2	Very low	82 Å²	82	141 Å²	141	85%	0.845	79%	0.787	S	S	*	*			trans	-127.5	111.3	155.2	0	0	0	0	0	108.8
1367	A	25.5	Very low	26.2	Very low	107 Å²	107	141.7 Å²	141.7	88%	0.884	79%	0.787	S	S	*	*			trans	-90.1	149.6	-170	0	0	0	0	0	113.7
1368	A	26.7	Very low	26.5	Very low	103 Å²	103	143.6 Å²	143.6	85%	0.851	79%	0.787	S	S	*	*			trans	-163.4	139.7	154.6	0	0	0	0	0	108.5
1369	D	25	Very low	26.7	Very low	136 Å²	136	143.8 Å²	143.8	73%	0.727	78%	0.783	S	S	*	*			cis	-161.9	156	-18.3	179.2	23.7	0	0	0	106.7
1370	L	26.4	Very low	26.7	Very low	168 Å²	168	140.7 Å²	140.7	88%	0.88	78%	0.78	S	S	*	*			trans	-173.9	93	151.5	-107.2	169.2	0	0	0	111.2
1371	Q	24.3	Very low	26.3	Very low	161 Å²	161	140.3 Å²	140.3	75%	0.752	79%	0.792	S	S	*	*			trans	-63.5	162.3	161.2	-84.6	-85.4	-32.3	0	0	111.9
1372	P	31.3	Very low	26.3	Very low	93 Å²	93	131.5 Å²	131.5	60%	0.604	78%	0.779	S	S	*	*			trans	-109.1	-166.6	-145.9	42.9	-39.7	0	0	0	115.6
1373	L	21.9	Very low	26.4	Very low	151 Å²	151	127.2 Å²	127.2	79%	0.791	78%	0.782	S	S	*	*			trans	69.6	98	163.4	-64.2	169.1	0	0	0	117.5
1374	H	23.8	Very low	26.2	Very low	184 Å²	184	131.6 Å²	131.6	85%	0.852	78%	0.781	S	S	*	*				-155.5	118.7	101	-118.6	-77.7	0	0	0	112.5
1375	R	37	Very low	26.3	Very low	218 Å²	218	132.7 Å²	132.7	82%	0.823	79%	0.786	S	S	*	*			trans	-77	155.6	146.5	-135.3	178.6	-166.3	174.2	4.1	106.5
1376	P	25.8	Very low	26.1	Very low	111 Å²	111	133.9 Å²	133.9	72%	0.721	79%	0.786	S	S	*	*				-142.2	167.6	107.7	37.1	-24.4	0	0	0	114.7
1377	V	23.9	Very low	26.2	Very low	113 Å²	113	139.2 Å²	139.2	69%	0.685	79%	0.789	S	S	*	*			trans	-51.4	145.7	155.8	-178.2	0	0	0	0	107.4
1378	I	27.7	Very low	26.3	Very low	151 Å²	151	138.3 Å²	138.3	77%	0.774	78%	0.781	S	S	*	*				-149	133.9	73.2	-72.2	148.1	0	0	0	111.8	V1380	I1378-V1380 HydrophobicContact CG2-CG2 4.08Å
1379	T	28.6	Very low	26.3	Very low	128 Å²	128	141.1 Å²	141.1	79%	0.785	78%	0.782	S	S	*	*			trans	-90.8	137.6	169.6	-41.9	0	0	0	0	109.9
1380	V	25.9	Very low	26.5	Very low	134 Å²	134	145 Å²	145	81%	0.812	79%	0.788	S	S	*	*			trans	-141.4	120.5	161.2	-177.8	0	0	0	0	108.9	I1378	I1378-V1380 HydrophobicContact CG2-CG2 4.08Å
1381	G	26.9	Very low	26.2	Very low	78 Å²	78	147.9 Å²	147.9	80%	0.804	79%	0.788	S	S	*	*			trans	62.5	119.7	163.5	0	0	0	0	0	118.1
1382	G	24.1	Very low	26.3	Very low	66 Å²	66	148.7 Å²	148.7	68%	0.68	79%	0.789	S	S	*	*			cis	173.5	-179.9	-1.8	0	0	0	0	0	111.7
1383	S	26.3	Very low	25.9	Very low	120 Å²	120	151.5 Å²	151.5	84%	0.839	79%	0.793	S	S	*	*			trans	60.7	68.1	171.6	60.7	0	0	0	0	118.3
1384	Y	20.6	Very low	26.1	Very low	216 Å²	216	151.3 Å²	151.3	85%	0.847	79%	0.793	S	S	*	*	S	Bend		-89.6	150.1	98.2	-107.8	-99.1	0	0	0	106.5	E1386	Y1384-E1386 PolarHBondContact O-N 3.3Å
1385	P	26.5	Very low	26.2	Very low	106 Å²	106	148.2 Å²	148.2	69%	0.688	79%	0.793	S	S	*	*			trans	-54.8	124.8	165.4	25.5	-33.8	0	0	0	108.1
1386	E	25.2	Very low	25.7	Very low	185 Å²	185	141.4 Å²	141.4	86%	0.864	79%	0.79	S	S	*	*				56.5	98.3	72.7	-70.7	-166.1	145.5	0	0	112.4	Y1384	Y1384-E1386 PolarHBondContact O-N 3.3Å
1387	Q	27.6	Very low	25.6	Very low	195 Å²	195	140.3 Å²	140.3	91%	0.911	79%	0.79	S	S	*	*			trans	-119	157.7	136.7	-74.1	-173.3	-30.2	0	0	107.6
1388	A	26.4	Very low	25.8	Very low	87 Å²	87	137.7 Å²	137.7	72%	0.719	79%	0.786	S	S	*	*			trans	72.5	94.6	179.7	0	0	0	0	0	118
1389	N	27.9	Very low	25.7	Very low	162 Å²	162	133.6 Å²	133.6	87%	0.866	77%	0.771	S	S	*	*				-75.3	127.1	115.8	-80.5	-45.3	0	0	0	106.5
1390	Y	27.4	Very low	25.6	Very low	218 Å²	218	134.4 Å²	134.4	86%	0.855	77%	0.766	S	S	*	*				74.2	130.4	65.2	-101.2	-88	0	0	0	115.4
1391	R	21.7	Very low	25.9	Very low	229 Å²	229	136 Å²	136	86%	0.864	77%	0.77	S	S	*	*			trans	-73.7	138.9	-178.2	-65.2	171.6	170.4	152.4	-7.4	112.1
1392	K	26.9	Very low	26	Very low	178 Å²	178	136.4 Å²	136.4	77%	0.774	76%	0.76	S	S	*	*				-176.9	131.5	112.9	-93	-169.8	172.3	-164	0	107.5
1393	E	21.9	Very low	26.1	Very low	151 Å²	151	138.1 Å²	138.1	71%	0.706	76%	0.762	S	S	*	*				64.4	120	70.6	-67.4	177.1	160	0	0	112.8
1394	D	25	Very low	26	Very low	147 Å²	147	141 Å²	141	79%	0.786	77%	0.767	S	S	*	*			trans	68.2	111.4	160.8	-56.9	-16.1	0	0	0	122.5
1395	S	27.1	Very low	26.3	Very low	120 Å²	120	135 Å²	135	84%	0.839	76%	0.762	S	S	*	*			trans	67.4	106.5	136.2	59.8	0	0	0	0	120.8
1396	G	25.9	Very low	26.1	Very low	74 Å²	74	136 Å²	136	76%	0.763	77%	0.766	S	S	*	*				102.2	99.7	86.4	0	0	0	0	0	119.5
1397	A	25.1	Very low	26.2	Very low	88 Å²	88	133.9 Å²	133.9	73%	0.727	76%	0.759	S	S	*	*			trans	62.8	174.3	150.1	0	0	0	0	0	119.2
1398	G	27.3	Very low	26.1	Very low	58 Å²	58	131 Å²	131	60%	0.598	75%	0.75	S	S	*	*			trans	84.7	74.7	175.2	0	0	0	0	0	114.1
1399	S	24.8	Very low	26.1	Very low	66 Å²	66	132.3 Å²	132.3	46%	0.462	75%	0.749	S	S	.	*				80.3	155.1	68.4	80.1	0	0	0	0	114.5
1400	E	27.5	Very low	25.8	Very low	145 Å²	145	129.8 Å²	129.8	68%	0.678	74%	0.739	S	S	*	*			trans	66.6	150.7	171.2	-73.5	134.9	-94.3	0	0	117.6
1401	N	32.9	Very low	26	Very low	168 Å²	168	127.1 Å²	127.1	90%	0.898	73%	0.734	S	S	*	*	S	Bend	cis	-95.5	151.3	9.9	-71.2	-87.5	0	0	0	113.5
1402	S	27.2	Very low	26.1	Very low	86 Å²	86	122.9 Å²	122.9	60%	0.601	73%	0.729	S	S	*	*			trans	-117.8	171.4	-150.3	48.8	0	0	0	0	114.9
1403	S	27.2	Very low	26.5	Very low	102 Å²	102	118.8 Å²	118.8	71%	0.713	72%	0.721	S	S	*	*			trans	57.5	99	154.8	51.3	0	0	0	0	119
1404	L	24.9	Very low	26.6	Very low	179 Å²	179	120.9 Å²	120.9	94%	0.937	73%	0.727	S	S	*	*				14.4	114.1	126.2	-73.4	164.6	0	0	0	117.6
1405	A	26.1	Very low	26.8	Very low	91 Å²	91	119.3 Å²	119.3	75%	0.752	73%	0.725	S	S	*	*			trans	-136.6	110.6	146	0	0	0	0	0	110
1406	V	23.2	Very low	26.6	Very low	127 Å²	127	118.4 Å²	118.4	77%	0.77	72%	0.719	S	S	*	*				18.9	135.9	117.9	175.1	0	0	0	0	117.1
1407	I	25.3	Very low	27	Very low	140 Å²	140	119.6 Å²	119.6	72%	0.718	71%	0.713	S	S	*	*			trans	84.3	134.9	168.5	-71.6	157.8	0	0	0	117.5
1408	N	27.2	Very low	27.1	Very low	135 Å²	135	121.5 Å²	121.5	72%	0.722	71%	0.71	S	S	*	*			trans	63.1	109.8	164	-71.7	-16.9	0	0	0	118.7
1409	T	24.9	Very low	27.1	Very low	114 Å²	114	127.7 Å²	127.7	70%	0.699	72%	0.723	S	S	*	*				79.1	123.5	65.1	63.9	0	0	0	0	115.6
1410	V	23	Very low	27.3	Very low	109 Å²	109	127.4 Å²	127.4	66%	0.661	73%	0.73	S	S	*	*			trans	53.9	92.9	135.1	-176.1	0	0	0	0	117.8
1411	H	31	Very low	27.1	Very low	163 Å²	163	126.8 Å²	126.8	76%	0.755	74%	0.736	S	S	*	*				-173	142.1	105.9	-85.6	-49.8	0	0	0	109.1
1412	N	24.5	Very low	26.7	Very low	139 Å²	139	124.3 Å²	124.3	74%	0.743	73%	0.727	S	S	*	*				63	149.2	56.2	-90.4	-7.6	0	0	0	114.5
1413	P	33.7	Very low	26.7	Very low	93 Å²	93	126 Å²	126	60%	0.604	73%	0.734	S	S	*	*			cis	-146.3	170.9	-36	39.2	-22.5	0	0	0	115.3
1414	K	23.9	Very low	26.4	Very low	195 Å²	195	126.5 Å²	126.5	85%	0.848	74%	0.738	S	S	*	*			trans	63.5	177.9	144.5	-84.5	174.8	179.6	-179.4	0	118
1415	P	30.2	Very low	26.5	Very low	113 Å²	113	123.5 Å²	123.5	73%	0.734	73%	0.727	S	S	*	*			cis	-126.5	-175.6	-25.4	26.6	-4.9	0	0	0	114.2
1416	S	23.6	Very low	26.4	Very low	101 Å²	101	127.6 Å²	127.6	71%	0.706	73%	0.728	S	S	*	*			trans	-67.6	-166.4	156.3	57.4	0	0	0	0	111.8
1417	P	34	Very low	26.3	Very low	100 Å²	100	128.2 Å²	128.2	65%	0.649	73%	0.727	S	S	*	*			cis	-145.8	-147.4	11.3	30.8	-1.5	0	0	0	114.8
1418	I	26.4	Very low	26.2	Very low	128 Å²	128	125.7 Å²	125.7	66%	0.656	72%	0.722	S	S	*	*			trans	91.6	128.7	150.8	-71.4	159.8	0	0	0	119.5
1419	E	27.5	Very low	26.1	Very low	188 Å²	188	125.4 Å²	125.4	88%	0.879	72%	0.72	S	S	*	*			trans	48.5	158.8	156.2	-72	153	-141.7	0	0	121
1420	G	28.5	Very low	26	Very low	59 Å²	59	131.6 Å²	131.6	61%	0.608	73%	0.731	S	S	*	*			cis	179.5	158.7	-6.5	0	0	0	0	0	112.6
1421	T	23.3	Very low	26	Very low	132 Å²	132	131.2 Å²	131.2	81%	0.81	73%	0.728	S	S	*	*			trans	36.5	149.3	149.5	45	0	0	0	0	124.5
1422	T	25.7	Very low	25.8	Very low	116 Å²	116	131.1 Å²	131.1	71%	0.712	73%	0.728	S	S	*	*			trans	76.1	105.4	146.4	40.8	0	0	0	0	122
1423	T	26.1	Very low	25.8	Very low	122 Å²	122	130.2 Å²	130.2	75%	0.748	73%	0.728	S	S	*	*				52.5	115	126.8	61.3	0	0	0	0	122
1424	S	21.8	Very low	25.6	Very low	113 Å²	113	130.8 Å²	130.8	79%	0.79	73%	0.734	S	S	*	*				60.8	159.2	112.4	-154.4	0	0	0	0	121.9
1425	V	25.9	Very low	25.6	Very low	116 Å²	116	132.5 Å²	132.5	70%	0.703	74%	0.735	S	S	*	*			trans	83.7	98	165.4	-169.8	0	0	0	0	118.2
1426	K	24.2	Very low	25.7	Very low	177 Å²	177	131.8 Å²	131.8	77%	0.77	73%	0.731	S	S	*	*			trans	50.7	134	132.4	-57.6	178.7	-174.1	173.5	0	122.3
1427	N	22.7	Very low	25.9	Very low	140 Å²	140	134.8 Å²	134.8	75%	0.749	73%	0.731	S	S	*	*				60.6	122	129.3	-63.4	24.3	0	0	0	121.8
1428	S	23.2	Very low	25.7	Very low	87 Å²	87	135.8 Å²	135.8	61%	0.608	73%	0.727	S	S	*	*			trans	37.7	121.3	131.6	68.4	0	0	0	0	120.9
1429	D	23.8	Very low	25.8	Very low	129 Å²	129	135 Å²	135	69%	0.69	72%	0.724	S	S	*	*				168.8	115.3	102	-88.4	-31.4	0	0	0	113.7	V1431	D1429-V1431 HydrophobicContact CB-CG2 4.05Å
1430	W	23.9	Very low	25.8	Very low	243 Å²	243	133.1 Å²	133.1	92%	0.92	72%	0.72	S	S	*	*			trans	-147.1	110.4	151.3	-78	75.4	0	0	0	104.3
1431	V	22.3	Very low	25.9	Very low	101 Å²	101	133 Å²	133	61%	0.612	71%	0.71	S	S	*	*			cis	68.8	78.1	21.5	-167.3	0	0	0	0	113.9	D1429	D1429-V1431 HydrophobicContact CB-CG2 4.05Å
1432	Q	26.8	Very low	26.1	Very low	162 Å²	162	132.5 Å²	132.5	76%	0.757	70%	0.698	S	S	*	*			trans	-179.6	116.3	130.6	-96.9	170.9	29.5	0	0	109.9
1433	T	23.5	Very low	26.1	Very low	120 Å²	120	131.7 Å²	131.7	74%	0.736	69%	0.689	S	S	*	*				48.2	113.4	102.3	63.5	0	0	0	0	114.5
1434	S	30.1	Very low	26.1	Very low	105 Å²	105	130.9 Å²	130.9	73%	0.734	69%	0.689	S	S	*	*				-159.2	142.6	66.7	-69.7	0	0	0	0	111.2
1435	R	24.8	Very low	26.7	Very low	231 Å²	231	134.9 Å²	134.9	87%	0.872	69%	0.692	S	S	*	*				63.6	145.6	70.4	-96.4	-171.1	-180	-168	2.1	113.9
1436	P	32	Very low	27	Very low	98 Å²	98	134.7 Å²	134.7	64%	0.636	69%	0.693	S	S	*	*			cis	-149.8	165.4	-5.6	42	-22.6	0	0	0	119.5
1437	K	27	Very low	27	Very low	164 Å²	164	134.2 Å²	134.2	71%	0.713	70%	0.698	S	S	*	*			trans	68.8	161	136.4	-76.5	170.4	164.6	-139.4	0	120.1
1438	H	30.1	Very low	27.4	Very low	120 Å²	120	132.5 Å²	132.5	56%	0.556	70%	0.697	S	S	*	*			cis	-158.3	152.7	-1.2	-114.4	-42.1	0	0	0	111.5
1439	D	27.7	Very low	27.3	Very low	111 Å²	111	133.7 Å²	133.7	59%	0.594	71%	0.705	S	S	*	*			trans	50.1	154.4	134.8	-53.4	-2	0	0	0	122.3
1440	D	27.6	Very low	27.4	Very low	150 Å²	150	132.8 Å²	132.8	80%	0.802	71%	0.709	S	S	*	*			cis	-161.5	-176.7	-18.6	-109	-27	0	0	0	110.3
1441	S	31.9	Very low	27.2	Very low	57 Å²	57	126 Å²	126	40%	0.399	70%	0.699	S	S	.	*			trans	-142.1	148.4	-170.3	64.4	0	0	0	0	116.6	K145 G146	K145-S1441 VanDerWaalsContact C-OG 3.29Å; K145-S1441 PolarHBondContact O-OG 3.26Å; G146-S1441 PolarHBondContact N-OG 3.39Å; G146-S1441 WeakPolarHBondContact O-CB 3.3Å
1442	E	26.2	Very low	27.3	Very low	121 Å²	121	126.9 Å²	126.9	57%	0.565	71%	0.709	S	S	*	*			trans	-158.8	132.2	162.8	-89.2	-117.2	162.3	0	0	113.7	N144 K145	N144-E1442 PolarHBondContact ND2-OE1 2.94Å; K145-E1442 HydrophobicContact CB-CG 4.46Å; K145-E1442 HydrophobicContact CD-CB 4.1Å; K145-E1442 HydrophobicContact CD-CG 3.62Å; K145-E1442 VanDerWaalsContact CD-OE1 3.28Å; K145-E1442 WeakPolarHBondContact CD-OE1 3.11Å; K145-E1442 WeakPolarHBondContact CD-OE2 3.15Å; K145-E1442 IonicContact NZ-OE1 3.56Å; K145-E1442 PolarHBondContact NZ-OE1 2.76Å; K145-E1442 IonicContact NZ-OE2 3.73Å; K145-E1442 PolarHBondContact NZ-OE2 2.69Å
1443	N	27.3	Very low	27.3	Very low	98 Å²	98	124.6 Å²	124.6	52%	0.524	71%	0.706	S	S	.	*			trans	38.4	123.9	148.9	-87	7.6	0	0	0	123.8	K145	K145-N1443 HydrophobicContact CD-CB 4.38Å; K145-N1443 VanDerWaalsContact CD-OD1 3.29Å; K145-N1443 WeakPolarHBondContact CD-OD1 2.12Å; K145-N1443 VanDerWaalsContact CE-CG 3.41Å; K145-N1443 WeakPolarHBondContact CE-ND2 2.13Å; K145-N1443 WeakPolarHBondContact CE-OD1 3.44Å; K145-N1443 PolarHBondContact NZ-ND2 2.79Å
1444	S	26.1	Very low	27.5	Very low	105 Å²	105	127.7 Å²	127.7	73%	0.734	71%	0.713	S	S	*	*				-175.9	160.7	109.1	47.1	0	0	0	0	115.4
1445	K	33.7	Very low	27.2	Very low	198 Å²	198	127.6 Å²	127.6	86%	0.861	71%	0.709	S	S	*	*			trans	-153	161	163.3	-77.2	-169.3	177.5	-174.4	0	105.9
1446	P	32.1	Very low	27	Very low	112 Å²	112	124.5 Å²	124.5	73%	0.727	71%	0.705	S	S	*	*			cis	-128.9	-143	6.7	41.9	-22.8	0	0	0	111.5
1447	L	24.6	Very low	26.6	Very low	167 Å²	167	128.1 Å²	128.1	87%	0.874	71%	0.713	S	S	*	*			trans	76.7	145.1	167.3	-77.5	152.1	0	0	0	118
1448	S	29.9	Very low	26.4	Very low	103 Å²	103	124.6 Å²	124.6	72%	0.72	71%	0.709	S	S	*	*			trans	-104.9	178.9	171.9	56	0	0	0	0	110.6
1449	S	22	Very low	26	Very low	112 Å²	112	123.2 Å²	123.2	78%	0.783	71%	0.712	S	S	*	*			trans	93	159.9	178.8	83.2	0	0	0	0	116.9
1450	S	25.1	Very low	25.8	Very low	110 Å²	110	124.8 Å²	124.8	77%	0.769	72%	0.716	S	S	*	*			trans	60.5	118.1	-159.4	71	0	0	0	0	114
1451	S	21.5	Very low	25.7	Very low	100 Å²	100	123.7 Å²	123.7	70%	0.699	71%	0.706	S	S	*	*			cis	89.6	80.3	27.1	88.8	0	0	0	0	116.4
1452	S	22.8	Very low	25.3	Very low	120 Å²	120	127.1 Å²	127.1	84%	0.839	72%	0.716	S	S	*	*				-88.1	93.8	113.3	56	0	0	0	0	106.8
1453	V	27	Very low	25.4	Very low	115 Å²	115	128.6 Å²	128.6	70%	0.697	72%	0.722	S	S	*	*				62.8	89.3	95.3	177.5	0	0	0	0	110.2
1454	Q	27.6	Very low	25.3	Very low	185 Å²	185	130.8 Å²	130.8	86%	0.864	73%	0.734	S	S	*	*			trans	-46.6	143.7	148.4	-64.6	178	-34.4	0	0	108.6
1455	P	24.3	Very low	25.4	Very low	103 Å²	103	130.2 Å²	130.2	67%	0.669	73%	0.727	S	S	*	*				-137.3	151.8	83.7	37.5	-25.1	0	0	0	114.9
1456	Q	20.4	Very low	25.4	Very low	166 Å²	166	128.3 Å²	128.3	78%	0.776	72%	0.722	S	S	*	*			trans	29.5	153.9	131	-53.5	-177.7	-37.5	0	0	121.4
1457	Q	24.1	Very low	25	Very low	173 Å²	173	125.5 Å²	125.5	81%	0.808	71%	0.705	S	S	*	*			trans	75.2	137	168.3	-47.3	-172.3	15.4	0	0	113.8
1458	S	21.8	Very low	25.3	Very low	91 Å²	91	128.7 Å²	128.7	64%	0.636	71%	0.705	S	S	*	*			cis	-172.7	-166.6	-16.2	48	0	0	0	0	106.2
1459	C	22.4	Very low	25.1	Very low	90 Å²	90	127.3 Å²	127.3	61%	0.608	70%	0.695	S	S	*	*			trans	56	114	136.9	-73.9	0	0	0	0	120.3
1460	Q	23.9	Very low	25.4	Very low	144 Å²	144	131.3 Å²	131.3	67%	0.673	69%	0.693	S	S	*	*				96.3	102.3	114.2	-74.1	176.6	-85.3	0	0	118.1
1461	Q	24.3	Very low	25.4	Very low	128 Å²	128	130.7 Å²	130.7	60%	0.598	69%	0.689	S	S	*	*				82.4	124.9	107.6	-78.3	176.8	-28.3	0	0	119.5
1462	Q	24.1	Very low	25.7	Very low	129 Å²	129	134.1 Å²	134.1	60%	0.603	70%	0.698	S	S	*	*				88.7	147.2	119.7	-78.7	169.3	-12.6	0	0	120.2
1463	Q	28.8	Very low	25.8	Very low	151 Å²	151	132.4 Å²	132.4	71%	0.706	69%	0.691	S	S	*	*			trans	67.4	115.8	144.5	-70.9	155.9	12.8	0	0	116.5
1464	L	25.6	Very low	25.8	Very low	145 Å²	145	130.8 Å²	130.8	76%	0.759	69%	0.69	S	S	*	*			cis	46.4	105.2	20.9	-96.8	179.1	0	0	0	112.6
1465	P	27.2	Very low	25.7	Very low	93 Å²	93	129.3 Å²	129.3	60%	0.604	68%	0.684	S	S	*	*				-149.3	-163.5	74.1	41	-23.4	0	0	0	113.7
1466	E	33.3	Very low	25.7	Very low	158 Å²	158	129 Å²	129	74%	0.738	67%	0.673	S	S	*	*			trans	67.2	77.4	160.1	-69.3	170.3	-144.2	0	0	115
1467	S	24	Very low	26.2	Very low	53 Å²	53	125.7 Å²	125.7	37%	0.371	65%	0.654	S	S	.	*			cis	64	55.4	9	104.2	0	0	0	0	117.2	S1469	S1467-S1469 PolarHBondContact O-OG 3.08Å
1468	R	31.1	Very low	26.4	Very low	233 Å²	233	120.7 Å²	120.7	88%	0.879	64%	0.638	S	S	*	*			trans	-122.3	110.6	147.9	-72.6	-164.8	-176.4	-157.6	1.3	108.2
1469	S	25.9	Very low	26.5	Very low	75 Å²	75	122.4 Å²	122.4	52%	0.524	64%	0.639	S	S	.	*			cis	58.4	154.4	19.3	7.8	0	0	0	0	114.5	S1467	S1467-S1469 PolarHBondContact O-OG 3.08Å
1470	R	29.3	Very low	26.6	Very low	196 Å²	196	123.5 Å²	123.5	74%	0.74	63%	0.634	S	S	*	*			cis	-147.6	141.2	16.1	-113.3	140.7	-154.9	-176	8.8	107.9
1471	S	24.5	Very low	26.7	Very low	96 Å²	96	121.5 Å²	121.5	67%	0.671	64%	0.636	S	S	*	*				38.6	126.2	104.7	84.7	0	0	0	0	117.4
1472	L	26.6	Very low	26.8	Very low	172 Å²	172	119.8 Å²	119.8	90%	0.901	64%	0.643	S	S	*	*				-164.7	142	129.7	-119.8	84.4	0	0	0	105.3
1473	A	26.1	Very low	26.8	Very low	84 Å²	84	120.7 Å²	120.7	69%	0.694	65%	0.651	S	S	*	*			cis	-151.9	-160.1	-3.3	0	0	0	0	0	110.4
1474	A	26.1	Very low	26.6	Very low	82 Å²	82	121.2 Å²	121.2	68%	0.678	65%	0.654	S	S	*	*			trans	-15.3	148.4	158.9	0	0	0	0	0	118.5
1475	Q	25.7	Very low	26.6	Very low	154 Å²	154	119.1 Å²	119.1	72%	0.72	65%	0.651	S	S	*	*			cis	-160.9	157.5	11.1	-126.9	165	-50.9	0	0	113.3
1476	Q	25.4	Very low	26.5	Very low	95 Å²	95	123.8 Å²	123.8	44%	0.444	67%	0.665	S	S	.	*			trans	73	75.5	142.9	-81.6	165.9	-31.7	0	0	123.4	P1940 N1941	Q1476-P1940 HydrophobicContact CB-CB 4.02Å; Q1476-P1940 HydrophobicContact CB-CG 3.57Å; Q1476-P1940 HydrophobicContact CG-CB 3.83Å; Q1476-P1940 HydrophobicContact CG-CG 3.58Å; Q1476-N1941 WeakPolarHBondContact CG-O 3.47Å; Q1476-N1941 PolarHBondContact NE2-O 3.45Å
1477	R	30.7	Very low	26.1	Very low	98 Å²	98	126.3 Å²	126.3	37%	0.37	67%	0.667	S	S	.	*				23.6	154.3	126.4	35.1	162.3	-67.9	-164.1	172.3	122.7	S1939 P1940 N1941	R1477-S1939 PolarHBondContact NH1-OG 3.32Å; R1477-S1939 WeakPolarHBondContact O-CB 3.17Å; R1477-P1940 HydrophobicContact CG-CB 3.62Å; R1477-N1941 VanDerWaalsContact CZ-N 3.27Å; R1477-N1941 PolarHBondContact NH1-OD1 3.31Å; R1477-N1941 PolarHBondContact NH2-ND2 3.44Å; R1477-N1941 PolarHBondContact NH2-OD1 2.83Å; R1477-N1941 VanDerWaalsContact NH2-OD1 3.07Å
1478	S	27.2	Very low	26.2	Very low	68 Å²	68	134.1 Å²	134.1	48%	0.476	69%	0.689	S	S	.	*			cis	177.4	156.5	-8	52.4	0	0	0	0	111.8	L1938	S1478-L1938 VanDerWaalsContact O-CB 3.25Å; S1478-L1938 WeakPolarHBondContact O-CB 3.43Å; S1478-L1938 WeakPolarHBondContact O-CD1 3.04Å
1479	L	24	Very low	26	Very low	127 Å²	127	133.6 Å²	133.6	67%	0.665	69%	0.687	S	S	*	*			trans	-88.5	154.1	-176.7	-67.6	163.7	0	0	0	117	L1938	L1479-L1938 VanDerWaalsContact C-CD1 3.44Å
1480	F	25.4	Very low	26.5	Very low	113 Å²	113	137.5 Å²	137.5	50%	0.496	70%	0.701	S	S	.	*			trans	32.1	135.6	150.5	-83.5	-91.8	0	0	0	123.8	V1936	F1480-V1936 HydrophobicContact CD2-CG2 4.16Å; F1480-V1936 HydrophobicContact CE1-CG2 4.04Å; F1480-V1936 HydrophobicContact CE2-CG2 3.25Å; F1480-V1936 HydrophobicContact CZ-CG2 3.18Å
1481	S	26.1	Very low	26.7	Very low	102 Å²	102	132.3 Å²	132.3	71%	0.713	69%	0.693	S	S	*	*				148.5	99.7	105.3	-173.6	0	0	0	0	117.9
1482	A	26.3	Very low	27	Very low	91 Å²	91	134 Å²	134	75%	0.752	69%	0.693	S	S	*	*			trans	62.5	152.7	132.8	0	0	0	0	0	125.7
1483	L	22.9	Very low	27.2	Very low	149 Å²	149	128.4 Å²	128.4	78%	0.78	68%	0.677	S	S	*	*			trans	83.1	115.2	157.6	-67.3	176	0	0	0	123.7
1484	H	24.4	Very low	27.4	Very low	162 Å²	162	130.9 Å²	130.9	75%	0.75	68%	0.679	S	S	*	*			trans	63.1	89.5	135	-89.2	-119.1	0	0	0	124.4
1485	S	25.8	Very low	27.4	Very low	101 Å²	101	134.8 Å²	134.8	71%	0.706	68%	0.676	S	S	*	*				28	121.3	121.9	-169.4	0	0	0	0	122.1
1486	Q	25.4	Very low	27.4	Very low	191 Å²	191	133.9 Å²	133.9	89%	0.893	67%	0.666	S	S	*	*				-151.8	159.4	110.5	-92.6	-139.5	3.3	0	0	114.1
1487	R	24.9	Very low	27.4	Very low	210 Å²	210	134 Å²	134	79%	0.792	67%	0.665	S	S	*	*			trans	-82.9	173	-178.5	-64.9	169	172.9	-179.3	-2.8	111.2
1488	R	25.6	Very low	27.2	Very low	218 Å²	218	130.1 Å²	130.1	82%	0.823	65%	0.652	S	S	*	*			cis	-167.4	176.2	-18.6	-101	174.6	174.9	179.9	-2.6	104.5
1489	R	27.3	Very low	27.2	Very low	221 Å²	221	131.4 Å²	131.4	83%	0.834	66%	0.657	S	S	*	*			cis	-114.2	-163.9	9.8	-81.2	178.5	163.2	134.9	-6.2	109
1490	L	37.5	Very low	27.3	Very low	157 Å²	157	129.1 Å²	129.1	82%	0.822	64%	0.642	S	S	*	*			cis	68.1	158.9	22.2	-45.9	178.2	0	0	0	114.1
1491	P	33.4	Very low	27.2	Very low	88 Å²	88	128.9 Å²	128.9	57%	0.571	64%	0.641	S	S	*	*			cis	-147.1	-167.7	15.4	47.3	-27.6	0	0	0	118.3
1492	L	29.9	Very low	27.2	Very low	130 Å²	130	129.4 Å²	129.4	68%	0.681	63%	0.63	S	S	*	*			trans	69.8	146.9	158.7	-64.2	171.7	0	0	0	119.5	L1494 L1817	L1492-L1494 HydrophobicContact CD2-CD1 4.34Å; L1492-L1817 WeakPolarHBondContact O-CD2 3.1Å
1493	G	30.2	Very low	27.2	Very low	55 Å²	55	128.9 Å²	128.9	57%	0.567	61%	0.611	S	S	*	*			cis	-162.2	154.2	-7.8	0	0	0	0	0	111.5
1494	L	30.9	Very low	27.2	Very low	137 Å²	137	123.4 Å²	123.4	72%	0.717	58%	0.583	S	S	*	*			cis	80	121.5	37.8	-84.4	159.6	0	0	0	115.9	L1492	L1492-L1494 HydrophobicContact CD2-CD1 4.34Å
1495	W	26.4	Very low	27.3	Very low	163 Å²	163	123.2 Å²	123.2	62%	0.617	58%	0.582	S	S	*	*			trans	176.6	133.8	131.4	-98.3	30.5	0	0	0	106.6	L1498 H1759	W1495-L1498 HydrophobicContact CG-CD1 4.41Å; W1495-L1498 HydrophobicContact CZ2-CD2 4.41Å; W1495-H1759 AromaticContact CE2-NE2 3.79Å; W1495-H1759 AromaticContact CZ2-CD2 3.85Å; W1495-H1759 AromaticContact CZ2-NE2 3.49Å; W1495-H1759 WeakPolarHBondContact CZ2-NE2 3.44Å; W1495-H1759 AromaticContact NE1-NE2 3.6Å
1496	W	25.3	Very low	27.1	Very low	135 Å²	135	123.9 Å²	123.9	51%	0.511	58%	0.582	S	S	.	*	S	Bend	cis	-130.4	171.1	10.1	-95.5	11	0	0	0	110.8	L1498	W1496-L1498 HydrophobicContact CD2-CD2 4.29Å; W1496-L1498 HydrophobicContact CG-CD2 3.95Å; W1496-L1498 VanDerWaalsContact NE1-CD2 3.26Å
1497	K	26.3	Very low	27	Very low	98 Å²	98	118.3 Å²	118.3	43%	0.426	58%	0.576	S	S	.	*			cis	-111.7	-156	-3.8	-102.3	-147.1	172.9	174.4	0	112.8	L1761	K1497-L1761 HydrophobicContact CD-CD1 4.26Å
1498	L	26.4	Very low	27	Very low	17 Å²	17	116.6 Å²	116.6	9%	0.089	58%	0.577	C	S	.	*				-172.5	138	-106.8	-115.7	53.3	0	0	0	110.8	W1495 W1496 N1760 L1761 E1762	W1495-L1498 HydrophobicContact CG-CD1 4.41Å; W1495-L1498 HydrophobicContact CZ2-CD2 4.41Å; W1496-L1498 HydrophobicContact CD2-CD2 4.29Å; W1496-L1498 HydrophobicContact CG-CD2 3.95Å; W1496-L1498 VanDerWaalsContact NE1-CD2 3.26Å; L1498-N1760 WeakPolarHBondContact CA-ND2 3.4Å; L1498-N1760 HydrophobicContact CB-CB 3.55Å; L1498-N1760 WeakPolarHBondContact CB-ND2 3.37Å; L1498-N1760 WeakPolarHBondContact CB-OD1 3.04Å; L1498-N1760 WeakPolarHBondContact CD2-OD1 3.42Å; L1498-N1760 HydrophobicContact CG-CB 4.33Å; L1498-N1760 WeakPolarHBondContact CG-ND2 3.11Å; L1498-N1760 WeakPolarHBondContact CG-OD1 2.56Å; L1498-N1760 WeakPolarHBondContact O-CB 3.36Å; L1498-L1761 CarbonylContact O-C 3.26Å; L1498-E1762 PolarHBondContact O-N 3.05Å
1499	T	26.6	Very low	27	Very low	95 Å²	95	112 Å²	112	58%	0.583	57%	0.569	S	S	*	*			trans	-130.6	131.5	178.5	52.4	0	0	0	0	121.8	H1759 N1760 L1761	T1499-H1759 CarbonylContact C-O 3.58Å; T1499-N1760 VanDerWaalsContact CA-CB 3.42Å; T1499-N1760 PolarHBondContact N-ND2 3.5Å; T1499-L1761 VanDerWaalsContact CA-O 3.23Å; T1499-L1761 WeakPolarHBondContact CA-O 3.1Å; T1499-L1761 WeakPolarHBondContact CG2-O 3.43Å
1500	H	26.1	Very low	26.8	Very low	78 Å²	78	108 Å²	108	36%	0.361	56%	0.564	S	S	.	*			trans	-165.8	-171.3	169	-88.2	15.9	0	0	0	110.7	H1759 N1760 L1761 D2131	H1500-H1759 WeakPolarHBondContact CB-O 3.47Å; H1500-H1759 PolarHBondContact CD2-O 2.8Å; H1500-H1759 VanDerWaalsContact CD2-O 3.3Å; H1500-H1759 PolarHBondContact N-O 2.83Å; H1500-H1759 PolarHBondContact ND1-O 2.93Å; H1500-N1760 CarbonylContact C-O 3.24Å; H1500-N1760 VanDerWaalsContact CA-O 3.26Å; H1500-N1760 WeakPolarHBondContact CA-O 3.33Å; H1500-N1760 WeakPolarHBondContact CB-O 3.38Å; H1500-N1760 PolarHBondContact N-O 3.44Å; H1500-N1760 CarbonylContact O-C 3.59Å; H1500-L1761 PolarHBondContact O-N 3.06Å; H1500-D2131 IonicContact CD2-OD2 2.8Å; H1500-D2131 IonicContact NE2-OD2 2.68Å
1501	K	23.4	Very low	26.1	Very low	109 Å²	109	108.5 Å²	108.5	47%	0.474	56%	0.559	S	S	.	*			cis	-154.7	139.6	-48.6	-98.7	177.6	-176.1	150.3	0	105	F1503 D2131	K1501-F1503 HydrophobicContact CD-CD2 4.3Å; K1501-F1503 HydrophobicContact CD-CE2 4.3Å; K1501-D2131 VanDerWaalsContact CD-OD2 3.26Å; K1501-D2131 WeakPolarHBondContact CD-OD2 3.41Å; K1501-D2131 IonicContact NZ-OD2 3.34Å; K1501-D2131 PolarHBondContact NZ-OD2 3.22Å
1502	K	27.1	Very low	25.5	Very low	112 Å²	112	109.2 Å²	109.2	49%	0.487	57%	0.566	S	S	.	*				51.6	130.2	76.8	-109.4	-174.8	170.9	-167.7	0	114.4	D2133 E2134	K1502-D2133 WeakPolarHBondContact CD-O 3.18Å; K1502-D2133 PolarHBondContact NZ-O 3.03Å; K1502-E2134 HydrophobicContact CD-CB 4.42Å; K1502-E2134 VanDerWaalsContact CE-CB 3.49Å; K1502-E2134 PolarHBondContact NZ-O 2.81Å
1503	F	24.7	Very low	25.3	Very low	81 Å²	81	111.5 Å²	111.5	36%	0.355	57%	0.573	S	S	.	*				-158.1	149.5	116.8	-126.9	-105	0	0	0	110.3	K1501 D2131 I2132 D2133	K1501-F1503 HydrophobicContact CD-CD2 4.3Å; K1501-F1503 HydrophobicContact CD-CE2 4.3Å; F1503-D2131 HydrophobicContact CE2-CB 4.21Å; F1503-D2131 WeakPolarHBondContact CZ-O 3.44Å; F1503-I2132 CarbonylContact C-O 3.48Å; F1503-I2132 WeakPolarHBondContact CA-O 3.22Å; F1503-I2132 HydrophobicContact CB-CB 3.35Å; F1503-I2132 HydrophobicContact CB-CG2 3.63Å; F1503-I2132 VanDerWaalsContact CB-O 3.24Å; F1503-I2132 WeakPolarHBondContact CB-O 3.26Å; F1503-I2132 HydrophobicContact CD1-CB 2.92Å; F1503-I2132 HydrophobicContact CD1-CG1 4.45Å; F1503-I2132 HydrophobicContact CD1-CG2 2.86Å; F1503-I2132 WeakPolarHBondContact CD1-O 3.06Å; F1503-I2132 HydrophobicContact CD2-CB 3.15Å; F1503-I2132 HydrophobicContact CD2-CG1 4.3Å; F1503-I2132 HydrophobicContact CD2-CG2 4.3Å; F1503-I2132 WeakPolarHBondContact CD2-O 3.45Å; F1503-I2132 HydrophobicContact CE1-CB 3.6Å; F1503-I2132 HydrophobicContact CE1-CG2 3.77Å; F1503-I2132 WeakPolarHBondContact CE1-O 3.23Å; F1503-I2132 HydrophobicContact CE2-CB 3.79Å; F1503-I2132 WeakPolarHBondContact CE2-O 3.38Å; F1503-I2132 HydrophobicContact CG-CB 2.65Å; F1503-I2132 HydrophobicContact CG-CG1 4.15Å; F1503-I2132 HydrophobicContact CG-CG2 3.21Å; F1503-I2132 WeakPolarHBondContact CG-O 3.45Å; F1503-I2132 HydrophobicContact CZ-CB 3.96Å; F1503-D2133 HydrophobicContact CD1-CB 4.17Å; F1503-D2133 HydrophobicContact CE1-CB 3.46Å; F1503-D2133 VanDerWaalsContact CE1-CB 3.46Å; F1503-D2133 HydrophobicContact CZ-CB 3.86Å
1504	N	24.5	Very low	25	Very low	34 Å²	34	115.5 Å²	115.5	18%	0.182	58%	0.581	C	S	.	*			trans	-73.8	162.5	178.4	-176	8.8	0	0	0	111.5	T1506 I2132 D2133 E2134	N1504-T1506 PolarHBondContact OD1-N 2.88Å; N1504-I2132 PolarHBondContact N-O 2.87Å; N1504-D2133 HydrophobicContact CB-CB 4.2Å; N1504-D2133 PolarHBondContact ND2-OD1 3.33Å; N1504-E2134 WeakPolarHBondContact CA-OE1 3.34Å; N1504-E2134 HydrophobicContact CB-CB 4Å; N1504-E2134 HydrophobicContact CB-CG 3.73Å; N1504-E2134 PolarHBondContact OD1-OE1 3.01Å
1505	Q	25.1	Very low	24.6	Very low	157 Å²	157	116.8 Å²	116.8	73%	0.734	58%	0.576	S	S	*	*				-168.5	102.6	116.2	-103.8	173.1	29.5	0	0	113.7
1506	T	22.8	Very low	24.5	Very low	115 Å²	115	113.3 Å²	113.3	71%	0.706	57%	0.57	S	S	*	*			trans	45.6	99.2	136.2	60.1	0	0	0	0	117.6	N1504	N1504-T1506 PolarHBondContact OD1-N 2.88Å
1507	G	23.7	Very low	24.5	Very low	74 Å²	74	118.8 Å²	118.8	76%	0.763	59%	0.59	S	S	*	*			trans	-156.9	76.3	-178.3	0	0	0	0	0	117.5
1508	E	25	Very low	24.5	Very low	174 Å²	174	118 Å²	118	81%	0.813	59%	0.588	S	S	*	*			trans	59.2	119.4	149.8	-61	-147.5	111.1	0	0	122.9
1509	N	23.9	Very low	24.4	Very low	121 Å²	121	123.2 Å²	123.2	65%	0.647	61%	0.61	S	S	*	*				55.9	109.2	124.1	-64.2	-52.6	0	0	0	122.3
1510	L	22.8	Very low	24.4	Very low	139 Å²	139	123.6 Å²	123.6	73%	0.728	61%	0.608	S	S	*	*				66.9	136.2	124.4	-81.8	160.7	0	0	0	121.9
1511	K	23.4	Very low	24.2	Very low	167 Å²	167	127 Å²	127	73%	0.726	62%	0.617	S	S	*	*			trans	74	117.4	162.4	-63.6	176.3	-179.9	-178.2	0	115.4
1512	S	21.7	Very low	24.3	Very low	103 Å²	103	128.9 Å²	128.9	72%	0.72	63%	0.627	S	S	*	*				76.4	105.5	52.8	82	0	0	0	0	114.7
1513	E	25.3	Very low	24.2	Very low	178 Å²	178	130.8 Å²	130.8	83%	0.832	64%	0.638	S	S	*	*			trans	-178.8	125.3	136.7	-97.5	171.3	-177.5	0	0	106.5
1514	L	23.3	Very low	24.2	Very low	139 Å²	139	136.1 Å²	136.1	73%	0.728	66%	0.661	S	S	*	*				67.3	105.3	79.2	-77.1	175.4	0	0	0	115.5
1515	W	22.8	Very low	24.2	Very low	163 Å²	163	144.7 Å²	144.7	62%	0.617	69%	0.691	S	S	*	*			trans	69.1	136.7	137.4	-81	25.9	0	0	0	121.8	K736	K736-W1515 HydrophobicContact CG-CH2 4.35Å; K736-W1515 HydrophobicContact CG-CZ3 4.22Å
1516	D	24.6	Very low	24	Very low	90 Å²	90	145.5 Å²	145.5	48%	0.481	69%	0.693	S	S	.	*			trans	-3	119.6	152.2	-63.8	-44.8	0	0	0	119
1517	R	25.9	Very low	24.3	Very low	251 Å²	251	145.6 Å²	145.6	95%	0.947	70%	0.698	S	S	*	*				-137.6	109.1	115.3	-70.8	-159.8	178.2	-163.5	-1.4	112.3
1518	Q	25.1	Very low	24.2	Very low	81 Å²	81	149 Å²	149	38%	0.379	70%	0.698	S	S	.	*			trans	-77.4	136.1	140.4	-68.4	177.4	-80.6	0	0	107.8
1519	F	24.7	Very low	24.4	Very low	126 Å²	126	145.7 Å²	145.7	55%	0.553	69%	0.691	S	S	*	*				-169.5	146.3	105.4	-123.1	-121.6	0	0	0	112.7
1520	I	26	Very low	24.5	Very low	103 Å²	103	145.7 Å²	145.7	53%	0.528	70%	0.696	S	S	.	*			trans	29.6	109.5	146.8	-68.8	-168.5	0	0	0	117.7
1521	R	23.2	Very low	24.6	Very low	150 Å²	150	145.9 Å²	145.9	57%	0.566	70%	0.697	S	S	*	*				96.7	128.2	58.6	-86.3	-179.9	-174.5	124	-3.5	111.4	E699	E699-R1521 IonicContact OE1-CZ 3.65Å; E699-R1521 IonicContact OE1-NH1 2.7Å; E699-R1521 PolarHBondContact OE1-NH1 3.18Å; E699-R1521 IonicContact OE1-NH2 3.94Å; E699-R1521 IonicContact OE2-CZ 2.74Å; E699-R1521 IonicContact OE2-NH1 3.03Å; E699-R1521 PolarHBondContact OE2-NH1 2.84Å; E699-R1521 IonicContact OE2-NH2 3.76Å; E699-R1521 PolarHBondContact OE2-NH2 3.44Å
1522	H	24.5	Very low	24.7	Very low	148 Å²	148	144.1 Å²	144.1	69%	0.685	71%	0.705	S	S	*	*			trans	47.3	108.4	156.5	-66.4	-83.3	0	0	0	119.8
1523	Q	25.4	Very low	25.1	Very low	153 Å²	153	142.9 Å²	142.9	72%	0.715	71%	0.708	S	S	*	*				65.3	119.2	85.8	-72.6	-179.3	-16.9	0	0	115.5
1524	K	25.2	Very low	25.6	Very low	193 Å²	193	140.5 Å²	140.5	84%	0.839	71%	0.708	S	S	*	*			trans	-113.2	112	139.9	-79.9	-175.8	176.6	178.7	0	107.1
1525	R	23.4	Very low	25.7	Very low	213 Å²	213	140.3 Å²	140.3	80%	0.804	71%	0.712	S	S	*	*				73.2	109.1	106.1	-70.8	-176.1	177.5	-171.9	-2.8	112.1
1526	F	21.7	Very low	25.9	Very low	175 Å²	175	142.6 Å²	142.6	77%	0.768	72%	0.721	S	S	*	*				61.8	99.1	69.9	-82.1	-85.1	0	0	0	113.5
1527	S	28.2	Very low	26	Very low	117 Å²	117	144.8 Å²	144.8	82%	0.818	73%	0.728	S	S	*	*			trans	-150.3	79.1	151.1	57.5	0	0	0	0	109.2
1528	L	22.5	Very low	26	Very low	144 Å²	144	140.1 Å²	140.1	75%	0.754	72%	0.717	S	S	*	*			trans	0.3	162.2	133.3	-65.6	165.9	0	0	0	118.4
1529	P	29.8	Very low	25.8	Very low	105 Å²	105	141.5 Å²	141.5	68%	0.682	74%	0.736	S	S	*	*			cis	-140	166	-7.3	26	-1.9	0	0	0	117.4
1530	V	24.7	Very low	25.8	Very low	122 Å²	122	138.4 Å²	138.4	74%	0.739	74%	0.739	S	S	*	*			trans	61.8	118.3	139.6	172.4	0	0	0	0	121.6
1531	N	24.7	Very low	25.7	Very low	142 Å²	142	140.5 Å²	140.5	76%	0.759	76%	0.757	S	S	*	*			trans	40.5	123	144.8	-53.2	-10.4	0	0	0	119.9
1532	C	25.7	Very low	25.7	Very low	131 Å²	131	140.6 Å²	140.6	89%	0.885	77%	0.774	S	S	*	*				-172.8	151	74.1	-97.3	0	0	0	0	113.5
1533	G	29.8	Very low	25.7	Very low	76 Å²	76	142.4 Å²	142.4	78%	0.784	78%	0.78	S	S	*	*			trans	87.8	114	154.5	0	0	0	0	0	118.6
1534	P	35.8	Very low	25.6	Very low	129 Å²	129	140.5 Å²	140.5	84%	0.838	78%	0.779	S	S	*	*			trans	-109.4	131.8	176.4	36.3	-27.9	0	0	0	114.4
1535	V	27.2	Very low	25.4	Very low	134 Å²	134	139.7 Å²	139.7	81%	0.812	78%	0.778	S	S	*	*			trans	-142	117.2	169.4	176.5	0	0	0	0	112.7
1536	R	26.3	Very low	25.4	Very low	211 Å²	211	136.3 Å²	136.3	80%	0.796	78%	0.775	S	S	*	*			trans	50.1	120.5	151.3	-70.9	-179.6	168.7	-179.8	-2.5	123.2
1537	Q	26.5	Very low	25.4	Very low	136 Å²	136	136.1 Å²	136.1	64%	0.636	78%	0.777	S	S	*	*				78	109.4	121.9	-66.8	-178.8	-87.6	0	0	122.4
1538	Q	25.3	Very low	25.2	Very low	154 Å²	154	136 Å²	136	72%	0.72	77%	0.774	S	S	*	*				62.6	126.8	116.8	-65.4	174.6	-58.6	0	0	121.2
1539	S	22	Very low	25.2	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	78%	0.78	S	S	*	*				-13.9	144.6	129.5	53.2	0	0	0	0	115.8
1540	G	24.2	Very low	24.9	Very low	61 Å²	61	140.1 Å²	140.1	63%	0.629	78%	0.782	S	S	*	*			cis	120.3	161.4	28.9	0	0	0	0	0	109.5
1541	T	23.9	Very low	25	Very low	146 Å²	146	142.4 Å²	142.4	90%	0.896	78%	0.784	S	S	*	*			trans	54.8	99	-178.6	56.5	0	0	0	0	116.9
1542	V	23.8	Very low	25	Very low	153 Å²	153	143.7 Å²	143.7	93%	0.927	79%	0.785	S	S	*	*			trans	-127.4	149.4	153.5	178.8	0	0	0	0	108.9
1543	K	23.3	Very low	25.5	Very low	185 Å²	185	141.9 Å²	141.9	80%	0.804	77%	0.772	S	S	*	*			trans	-86.1	162.7	-162.8	-58.6	176.2	177	177.8	0	114.8
1544	T	22.9	Very low	25.2	Very low	113 Å²	113	144.8 Å²	144.8	69%	0.693	77%	0.769	S	S	*	*			trans	54.2	115.2	139.3	51.5	0	0	0	0	121.6
1545	E	22	Very low	24.8	Very low	176 Å²	176	144.5 Å²	144.5	82%	0.822	77%	0.765	S	S	*	*				65.5	154.4	126.7	-69.5	-168.1	117.3	0	0	123.5
1546	L	22.9	Very low	24.6	Very low	143 Å²	143	142.6 Å²	142.6	75%	0.749	76%	0.757	S	S	*	*			trans	68	77.7	161.8	-69	165.2	0	0	0	119.7
1547	Q	22.2	Very low	24.5	Very low	171 Å²	171	140 Å²	140	80%	0.799	75%	0.754	S	S	*	*				61.5	96.4	107.9	-171.7	-173.3	35.9	0	0	118.9
1548	C	22.9	Very low	24.3	Very low	114 Å²	114	140.1 Å²	140.1	77%	0.77	76%	0.758	S	S	*	*			trans	-170.3	140.3	133.6	-108.8	0	0	0	0	115.3
1549	R	23.5	Very low	24.4	Very low	230 Å²	230	139.5 Å²	139.5	87%	0.868	76%	0.76	S	S	*	*			trans	65.2	129.1	160.8	-60	177.8	178.6	-176.4	-2.2	116
1550	C	22.9	Very low	24.5	Very low	106 Å²	106	141 Å²	141	72%	0.716	75%	0.754	S	S	*	*				64.1	116.9	52.2	-53.7	0	0	0	0	111.6
1551	H	27.8	Very low	24.7	Very low	170 Å²	170	146.7 Å²	146.7	79%	0.787	77%	0.765	S	S	*	*			cis	-128.2	167.9	6.7	-70.7	-100.8	0	0	0	109.5
1552	Q	24.9	Very low	24.7	Very low	168 Å²	168	147.3 Å²	147.3	79%	0.785	76%	0.761	S	S	*	*			cis	62.1	157	40	-74.6	-100.4	-11.5	0	0	112.4
1553	P	36	Very low	24.7	Very low	94 Å²	94	148.4 Å²	148.4	61%	0.61	76%	0.756	S	S	*	*			cis	-135.5	-169.3	4.4	43.6	-25.2	0	0	0	115
1554	L	23.6	Very low	24.9	Very low	137 Å²	137	145.7 Å²	145.7	72%	0.717	75%	0.746	S	S	*	*			trans	39.8	121.9	138.6	-65.4	161.2	0	0	0	119.5
1555	T	26.3	Very low	25.1	Very low	123 Å²	123	148.5 Å²	148.5	76%	0.755	75%	0.748	S	S	*	*				51.9	148.9	83.1	76.7	0	0	0	0	114.5
1556	S	23.9	Very low	25.2	Very low	94 Å²	94	147 Å²	147	66%	0.657	75%	0.746	S	S	*	*			cis	-148.3	-172.2	17	66.4	0	0	0	0	108.1
1557	E	23.6	Very low	25.4	Very low	155 Å²	155	147.5 Å²	147.5	72%	0.724	74%	0.743	S	S	*	*			cis	173.7	170.6	6.9	-125.4	162.5	138.8	0	0	105.5
1558	L	22.8	Very low	25.6	Very low	139 Å²	139	145.3 Å²	145.3	73%	0.728	74%	0.737	S	S	*	*			trans	60.5	153	148.3	-98	63.3	0	0	0	122.6
1559	L	26.8	Very low	25.8	Very low	142 Å²	142	145.7 Å²	145.7	74%	0.743	74%	0.736	S	S	*	*			trans	65.9	133.3	160.8	-95.6	65.3	0	0	0	118.2
1560	Q	25	Very low	26	Very low	141 Å²	141	139 Å²	139	66%	0.659	72%	0.724	S	S	*	*			trans	66.2	121.1	177.4	-55.5	169.5	-20.8	0	0	112.4
1561	E	28.8	Very low	26.2	Very low	181 Å²	181	144.1 Å²	144.1	85%	0.846	73%	0.729	S	S	*	*	S	Bend	cis	-124.2	71.4	23.6	-63.9	-178.2	110.4	0	0	114.3
1562	I	22.7	Very low	26.1	Very low	158 Å²	158	141.6 Å²	141.6	81%	0.81	72%	0.72	S	S	*	*	S	Bend	trans	-117	129.8	137.3	-63.6	-178.7	0	0	0	105.9
1563	Q	23.2	Very low	26.3	Very low	176 Å²	176	140.2 Å²	140.2	82%	0.822	71%	0.714	S	S	*	*	S	Bend	trans	67	65.9	-171.3	-59.6	-175.3	-13.1	0	0	117.1
1564	Q	27.7	Very low	25.8	Very low	129 Å²	129	144 Å²	144	60%	0.603	72%	0.72	S	S	*	*				-152.2	118.9	115.6	-105.9	169.1	33.6	0	0	108.8
1565	K	28.7	Very low	25.7	Very low	171 Å²	171	145.2 Å²	145.2	74%	0.743	73%	0.727	S	S	*	*				67	107	104	-74.1	-168	-176.5	-177.3	0	112.3
1566	L	23.4	Very low	25.8	Very low	146 Å²	146	144.2 Å²	144.2	76%	0.764	72%	0.723	S	S	*	*			cis	55.7	113.7	35.3	-146	-178.1	0	0	0	110.7
1567	H	26.6	Very low	25.9	Very low	152 Å²	152	144.2 Å²	144.2	70%	0.704	72%	0.722	S	S	*	*			trans	101.5	130.5	-167.5	-68.4	-69.4	0	0	0	113.8
1568	D	26	Very low	25.8	Very low	125 Å²	125	143.6 Å²	143.6	67%	0.668	72%	0.723	S	S	*	*			cis	-165.6	-173	-15.7	-143	-33.2	0	0	0	111.8
1569	T	28.7	Very low	25.8	Very low	123 Å²	123	144.7 Å²	144.7	76%	0.755	73%	0.725	S	S	*	*			trans	87.3	125.8	167.8	72.1	0	0	0	0	115.4
1570	S	26.9	Very low	25.9	Very low	88 Å²	88	143.8 Å²	143.8	62%	0.615	73%	0.725	S	S	*	*			cis	-165.4	157.2	-16.8	33.8	0	0	0	0	106.9
1571	W	26.9	Very low	25.8	Very low	215 Å²	215	141.1 Å²	141.1	81%	0.814	72%	0.722	S	S	*	*				-163.6	131.4	60.4	-92.3	63.3	0	0	0	112.2
1572	I	26.4	Very low	25.6	Very low	116 Å²	116	139.2 Å²	139.2	60%	0.595	72%	0.718	S	S	*	*			trans	72.9	113.6	131.2	-59.6	-158.1	0	0	0	122.3
1573	Q	27.6	Very low	25.7	Very low	140 Å²	140	136.9 Å²	136.9	65%	0.654	71%	0.711	S	S	*	*			trans	98	113.7	141.3	-81.7	176.2	78.6	0	0	124.6
1574	K	26.6	Very low	25.7	Very low	172 Å²	172	136.7 Å²	136.7	75%	0.748	71%	0.71	S	S	*	*				81.1	108.1	128	-75	171.3	-179.9	164.8	0	123.2
1575	L	21.2	Very low	25.5	Very low	163 Å²	163	135 Å²	135	85%	0.853	71%	0.711	S	S	*	*				-68.1	161.9	118.1	-79.6	163.3	0	0	0	109.7
1576	P	29.5	Very low	25.2	Very low	103 Å²	103	134 Å²	134	67%	0.669	71%	0.712	S	S	*	*			cis	-147.7	-145.7	36.1	44.4	-22.5	0	0	0	114.3
1577	S	24.9	Very low	25.4	Very low	93 Å²	93	132.4 Å²	132.4	65%	0.65	71%	0.709	S	S	*	*			trans	73.2	119.1	164.1	21.3	0	0	0	0	116.3
1578	L	22.7	Very low	25.3	Very low	142 Å²	142	129.8 Å²	129.8	74%	0.743	71%	0.707	S	S	*	*				78.3	125.6	70.9	-77.4	168.7	0	0	0	113.2
1579	Q	22.6	Very low	25.4	Very low	163 Å²	163	131.3 Å²	131.3	76%	0.762	71%	0.711	S	S	*	*			trans	63.7	149	148.2	-67.8	165.8	-37.3	0	0	116.6
1580	T	27.5	Very low	25.3	Very low	122 Å²	122	131 Å²	131	75%	0.748	70%	0.704	S	S	*	*			cis	-145.9	156.3	5.1	-11.6	0	0	0	0	111
1581	S	23.5	Very low	25.4	Very low	85 Å²	85	134.8 Å²	134.8	59%	0.594	71%	0.71	S	S	*	*			trans	-36	152.2	159.3	57	0	0	0	0	117.8
1582	N	25.3	Very low	25.3	Very low	142 Å²	142	132.8 Å²	132.8	76%	0.759	71%	0.707	S	S	*	*			trans	92.6	111.6	135.7	-72.3	2.4	0	0	0	122.4
1583	V	24	Very low	25.3	Very low	109 Å²	109	133.1 Å²	133.1	66%	0.661	71%	0.71	S	S	*	*				77.7	119.9	114.9	175.6	0	0	0	0	119.7
1584	Q	23.2	Very low	25.3	Very low	172 Å²	172	133.6 Å²	133.6	80%	0.804	72%	0.716	S	S	*	*			trans	84.1	124.7	147.9	-85.1	169.2	-18.9	0	0	123.3
1585	C	22.9	Very low	25.2	Very low	92 Å²	92	134.1 Å²	134.1	62%	0.622	72%	0.721	S	S	*	*				91.2	119.7	127.3	-76	0	0	0	0	122.1
1586	I	23.7	Very low	25.4	Very low	150 Å²	150	133.1 Å²	133.1	77%	0.769	71%	0.712	S	S	*	*				65.3	120.1	124.5	-59.6	166.9	0	0	0	115.4
1587	T	27.4	Very low	25.2	Very low	114 Å²	114	133.9 Å²	133.9	70%	0.699	71%	0.709	S	S	*	*			cis	-146.2	165.9	48.4	53.9	0	0	0	0	114.4
1588	S	24.8	Very low	25.7	Very low	96 Å²	96	132 Å²	132	67%	0.671	69%	0.694	S	S	*	*			trans	51.6	140.4	138.1	66.4	0	0	0	0	120.7
1589	E	27	Very low	25.8	Very low	158 Å²	158	130.1 Å²	130.1	74%	0.738	68%	0.682	S	S	*	*			cis	-169.5	153.9	14.2	-137	177.3	-112.4	0	0	110.7
1590	N	28	Very low	25.9	Very low	116 Å²	116	130 Å²	130	62%	0.62	68%	0.684	S	S	*	*			trans	60.7	141.6	164.2	-60.5	-62.3	0	0	0	118
1591	K	27	Very low	25.7	Very low	168 Å²	168	133.5 Å²	133.5	73%	0.73	69%	0.686	S	S	*	*			cis	-159	132.2	-1.5	-124.2	169.2	-177.5	-175.4	0	109.9
1592	F	26.7	Very low	25.7	Very low	172 Å²	172	140 Å²	140	75%	0.754	70%	0.697	S	S	*	*			trans	52.3	110.2	146.1	-78.3	-115.5	0	0	0	118.5
1593	N	24.6	Very low	25.7	Very low	124 Å²	124	144.6 Å²	144.6	66%	0.663	70%	0.704	S	S	*	*				85	137.7	82.3	-74.5	15	0	0	0	112.7
1594	I	28.1	Very low	25.6	Very low	150 Å²	150	140.2 Å²	140.2	77%	0.769	68%	0.681	S	S	*	*			cis	-148.9	156.9	5.8	-115	156.2	0	0	0	110
1595	E	24.7	Very low	25.6	Very low	183 Å²	183	133.7 Å²	133.7	86%	0.855	65%	0.654	S	S	*	*			trans	-94	165.9	-179.2	-64.9	171.2	129.1	0	0	113.2
1596	E	25.4	Very low	25.7	Very low	142 Å²	142	131.2 Å²	131.2	66%	0.664	63%	0.633	S	S	*	*			trans	-53.9	-96.5	-150.9	-168.6	-169.3	89.6	0	0	119.7	Q787	Q787-E1596 PolarHBondContact NE2-OE1 3.2Å
1597	I	25.4	Very low	25.7	Very low	119 Å²	119	127.3 Å²	127.3	61%	0.61	62%	0.624	S	S	*	*			cis	-147.7	159.7	-4	34.7	175.2	0	0	0	109.7	W786	W786-I1597 HydrophobicContact CH2-CB 3.84Å; W786-I1597 HydrophobicContact CH2-CD1 3.95Å; W786-I1597 HydrophobicContact CH2-CG1 4.25Å; W786-I1597 HydrophobicContact CH2-CG2 4.43Å; W786-I1597 HydrophobicContact CZ3-CB 3.79Å; W786-I1597 HydrophobicContact CZ3-CD1 4.35Å; W786-I1597 HydrophobicContact CZ3-CG2 3.93Å
1598	P	36.2	Very low	25.8	Very low	52 Å²	52	127.1 Å²	127.1	34%	0.338	63%	0.627	S	S	.	*			trans	-116	-179.9	-145.8	45.9	-44.3	0	0	0	119.9	Q787	Q787-P1598 HydrophobicContact CG-CG 4.04Å
1599	E	23.7	Very low	25.8	Very low	103 Å²	103	126.3 Å²	126.3	48%	0.481	61%	0.613	S	S	.	*			trans	82.3	117.2	148.7	-155.7	-174.5	-167.1	0	0	120.8	R783	R783-E1599 IonicContact CZ-OE1 3.85Å; R783-E1599 VanDerWaalsContact CZ-OE1 3.22Å; R783-E1599 IonicContact CZ-OE2 2.66Å; R783-E1599 IonicContact NH1-OE1 2.65Å; R783-E1599 PolarHBondContact NH1-OE1 2.69Å; R783-E1599 IonicContact NH1-OE2 2.7Å; R783-E1599 PolarHBondContact NH1-OE2 3.02Å; R783-E1599 IonicContact NH2-OE1 3.74Å; R783-E1599 PolarHBondContact NH2-OE1 3.46Å; R783-E1599 IonicContact NH2-OE2 2.68Å
1600	I	25.5	Very low	25.8	Very low	160 Å²	160	124 Å²	124	82%	0.821	60%	0.603	S	S	*	*			trans	-171.6	153.7	134.5	-99.2	154.7	0	0	0	111.6
1601	Y	23.1	Very low	25.7	Very low	197 Å²	197	122.1 Å²	122.1	77%	0.773	60%	0.599	S	S	*	*			trans	-64.2	148.6	-176.8	-92.2	-120	0	0	0	116.4
1602	R	24	Very low	25.8	Very low	222 Å²	222	118.4 Å²	118.4	84%	0.838	60%	0.6	S	S	*	*				169.8	93.9	122.2	-174.3	-172.2	-55.7	172.5	3.6	115.2
1603	R	23.6	Very low	25.7	Very low	237 Å²	237	116.2 Å²	116.2	89%	0.894	59%	0.587	S	S	*	*			trans	66.9	169.4	168.8	-53.5	175.9	-178	162.2	-0.2	115.9
1604	G	22.8	Very low	25.8	Very low	18 Å²	18	116.5 Å²	116.5	19%	0.186	58%	0.584	C	S	.	*			cis	154.1	135.7	-10	0	0	0	0	0	114.5	R2260	G1604-R2260 CarbonylContact C-O 3.12Å; G1604-R2260 WeakPolarHBondContact CA-O 3.23Å
1605	S	24	Very low	25.8	Very low	35 Å²	35	116.5 Å²	116.5	25%	0.245	58%	0.581	C	S	.	*			trans	-152.2	-34	169	-36.2	0	0	0	0	127.4	R2260 N2262 Q2263	S1605-R2260 PolarHBondContact N-O 2.85Å; S1605-R2260 VanDerWaalsContact O-CD 3.31Å; S1605-R2260 WeakPolarHBondContact O-CD 3.48Å; S1605-R2260 PolarHBondContact O-NE 3.39Å; S1605-N2262 WeakPolarHBondContact CB-ND2 3.26Å; S1605-N2262 WeakPolarHBondContact OG-CB 3.46Å; S1605-N2262 PolarHBondContact OG-ND2 3.45Å; S1605-N2262 VanDerWaalsContact OG-ND2 3.12Å; S1605-Q2263 PolarHBondContact OG-NE2 2.96Å
1606	E	24.4	Very low	26	Very low	39 Å²	39	118.5 Å²	118.5	18%	0.182	58%	0.58	C	S	.	*			cis	-103.5	-117.7	-11.5	-163.2	178.9	129.8	0	0	114.8	T915 D2259 R2260 V2261	T915-E1606 WeakPolarHBondContact CG2-OE1 3.25Å; T915-E1606 PolarHBondContact OG1-OE1 2.68Å; T915-E1606 VanDerWaalsContact OG1-OE1 3.13Å; E1606-D2259 HydrophobicContact CB-CB 4.47Å; E1606-D2259 WeakPolarHBondContact CB-OD1 3.32Å; E1606-D2259 PolarHBondContact N-OD1 3.41Å; E1606-D2259 WeakPolarHBondContact OE2-CA 3.49Å; E1606-D2259 PolarHBondContact OE2-N 3.24Å; E1606-D2259 VanDerWaalsContact OE2-N 3.16Å; E1606-R2260 PolarHBondContact OE2-N 2.85Å; E1606-V2261 HydrophobicContact CG-CG1 4.43Å; E1606-V2261 WeakPolarHBondContact CG-O 3.38Å
1607	A	24	Very low	26	Very low	68 Å²	68	118.2 Å²	118.2	56%	0.562	58%	0.583	S	S	*	*			trans	60.7	147.1	-162.2	0	0	0	0	0	114.3
1608	S	29.2	Very low	26.1	Very low	111 Å²	111	122.9 Å²	122.9	78%	0.776	59%	0.593	S	S	*	*			cis	-140.1	165.9	7	-65	0	0	0	0	112.9
1609	Q	24.7	Very low	25.6	Very low	78 Å²	78	127 Å²	127	36%	0.364	61%	0.607	S	S	.	*			trans	-68.6	177.7	157.2	-54.3	-177	24.9	0	0	111.6	T915 Q916 S1611	T915-Q1609 PolarHBondContact O-NE2 3.45Å; Q916-Q1609 HydrophobicContact CG-CG 4.45Å; Q1609-S1611 PolarHBondContact O-N 2.71Å
1610	M	27	Very low	25.8	Very low	111 Å²	111	132.4 Å²	132.4	55%	0.547	63%	0.625	S	S	.	*			trans	36.1	85.1	139.9	-67.9	178	-4.9	0	0	118.2
1611	S	26.1	Very low	26.1	Very low	76 Å²	76	130.8 Å²	130.8	53%	0.531	62%	0.618	S	S	.	*			trans	-123.5	-22	155.4	62.1	0	0	0	0	113.3	Q1609 W1613 E1614 Q1615	Q1609-S1611 PolarHBondContact O-N 2.71Å; S1611-W1613 PolarHBondContact O-N 2.62Å; S1611-E1614 PolarHBondContact O-N 3.33Å; S1611-Q1615 PolarHBondContact O-N 3.35Å
1612	A	27.9	Very low	26.4	Very low	90 Å²	90	126.7 Å²	126.7	74%	0.744	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	19	176.2	0	0	0	0	0	115.1
1613	W	25.6	Very low	26.6	Very low	126 Å²	126	119.6 Å²	119.6	48%	0.477	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-133.1	-41.4	-179.8	-130.8	58.7	0	0	0	111.6	E703 S1611 Q1615 R1616	E703-W1613 HydrophobicContact CB-CH2 3.81Å; E703-W1613 HydrophobicContact CB-CZ2 4.03Å; E703-W1613 VanDerWaalsContact CD-CZ2 3.4Å; E703-W1613 HydrophobicContact CG-CH2 4.03Å; E703-W1613 HydrophobicContact CG-CZ2 3.8Å; E703-W1613 WeakPolarHBondContact OE1-CZ2 3.4Å; E703-W1613 WeakPolarHBondContact OE2-CH2 3.34Å; S1611-W1613 PolarHBondContact O-N 2.62Å; W1613-Q1615 VanDerWaalsContact C-N 3.29Å; W1613-Q1615 PolarHBondContact O-N 2.99Å; W1613-R1616 PolarHBondContact O-N 3.46Å
1614	E	26	Very low	26.9	Very low	129 Å²	129	115.9 Å²	115.9	60%	0.603	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-67.3	-29.6	174.1	-58.9	-166.5	117.3	0	0	112.7	S1611 R1616 L1617	S1611-E1614 PolarHBondContact O-N 3.33Å; E1614-R1616 PolarHBondContact O-N 2.69Å; E1614-L1617 PolarHBondContact O-N 2.9Å; E1614-L1617 VanDerWaalsContact O-N 3.15Å
1615	Q	27.9	Very low	27	Very low	151 Å²	151	120.4 Å²	120.4	71%	0.706	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-71	6.7	175.1	-69.6	-173.5	-22.3	0	0	114.6	S1611 W1613	S1611-Q1615 PolarHBondContact O-N 3.35Å; W1613-Q1615 VanDerWaalsContact C-N 3.29Å; W1613-Q1615 PolarHBondContact O-N 2.99Å
1616	R	28.7	Very low	27.5	Very low	224 Å²	224	123.9 Å²	123.9	85%	0.845	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-109.8	0	168.3	-83.6	-173.2	175.7	165.8	2.7	115	W1613 E1614	W1613-R1616 PolarHBondContact O-N 3.46Å; E1614-R1616 PolarHBondContact O-N 2.69Å
1617	L	26.4	Very low	27.5	Very low	137 Å²	137	126.1 Å²	126.1	72%	0.717	65%	0.65	S	S	*	*	S	Bend	trans	-118.8	9.5	177.5	-82.6	167.2	0	0	0	114.3	E1614	E1614-L1617 PolarHBondContact O-N 2.9Å; E1614-L1617 VanDerWaalsContact O-N 3.15Å
1618	R	27.5	Very low	27.6	Very low	216 Å²	216	127 Å²	127	82%	0.815	66%	0.657	S	S	*	*	S	Bend	trans	-121.4	30	170.6	-60.7	-169.5	-171.5	-117	5.5	113.7
1619	Q	26	Very low	27.7	Very low	138 Å²	138	127.7 Å²	127.7	65%	0.645	66%	0.659	S	S	*	*			trans	-137.4	58.7	169	-75.6	-164.2	-31	0	0	111.2
1620	Y	27.8	Very low	27.9	Very low	217 Å²	217	127.7 Å²	127.7	85%	0.851	67%	0.672	S	S	*	*	S	Bend	trans	-138.8	131	151	-126.7	-87.4	0	0	0	105
1621	N	30.5	Very low	27.9	Very low	126 Å²	126	130.7 Å²	130.7	67%	0.674	69%	0.685	S	S	*	*			trans	66.8	134.7	-155.6	-59.2	67.2	0	0	0	112.9
1622	D	30.8	Very low	27.7	Very low	112 Å²	112	133.1 Å²	133.1	60%	0.599	70%	0.696	S	S	*	*			cis	-156.1	-176	-11.6	-124	-22.8	0	0	0	116.8
1623	L	28.7	Very low	27.6	Very low	73 Å²	73	134.7 Å²	134.7	38%	0.382	70%	0.697	S	S	.	*			trans	-161.4	133.9	-147.2	-54.7	174.1	0	0	0	113	I2063 H2065	L1623-I2063 HydrophobicContact CB-CB 4.21Å; L1623-I2063 HydrophobicContact CB-CD1 3.62Å; L1623-I2063 HydrophobicContact CB-CG1 4.33Å; L1623-I2063 HydrophobicContact CB-CG2 3.92Å; L1623-I2063 HydrophobicContact CD2-CD1 3.6Å; L1623-I2063 HydrophobicContact CG-CD1 4.14Å; L1623-H2065 PolarHBondContact O-CD2 2.93Å
1624	Y	28.5	Very low	27.5	Very low	159 Å²	159	133.2 Å²	133.2	62%	0.624	71%	0.706	S	S	*	*			cis	-64.2	-179.7	-9.8	-66.5	-85	0	0	0	111.7	I2063 L2064	Y1624-I2063 HydrophobicContact CD1-CB 4Å; Y1624-I2063 HydrophobicContact CD1-CG1 3.53Å; Y1624-I2063 HydrophobicContact CD1-CG2 3.64Å; Y1624-I2063 HydrophobicContact CD2-CG2 3.73Å; Y1624-I2063 HydrophobicContact CE1-CB 4.35Å; Y1624-I2063 HydrophobicContact CE1-CG1 4.22Å; Y1624-I2063 HydrophobicContact CE1-CG2 4.1Å; Y1624-I2063 HydrophobicContact CE2-CG2 4.22Å; Y1624-I2063 HydrophobicContact CG-CB 4.25Å; Y1624-I2063 HydrophobicContact CG-CG1 3.94Å; Y1624-I2063 HydrophobicContact CG-CG2 3.4Å; Y1624-I2063 VanDerWaalsContact CG-CG2 3.4Å; Y1624-I2063 VanDerWaalsContact N-CG2 3.29Å; Y1624-L2064 HydrophobicContact CD2-CD2 3.77Å; Y1624-L2064 HydrophobicContact CE2-CD2 3.27Å
1625	D	26	Very low	27.4	Very low	113 Å²	113	131.9 Å²	131.9	60%	0.604	71%	0.711	S	S	*	*			cis	71.5	139.6	18.1	-135.4	51.7	0	0	0	115.3	I2063	D1625-I2063 HydrophobicContact CB-CD1 4.34Å
1626	P	33.9	Very low	27.2	Very low	108 Å²	108	133.7 Å²	133.7	70%	0.701	72%	0.716	S	S	*	*				-109.5	136.6	-126.2	1	22.5	0	0	0	115.3	A1628	P1626-A1628 PolarHBondContact O-N 2.94Å
1627	G	25.3	Very low	27	Very low	85 Å²	85	130.5 Å²	130.5	88%	0.876	71%	0.711	S	S	*	*			trans	-84.8	93.9	150.1	0	0	0	0	0	110.4
1628	A	24.6	Very low	26.8	Very low	86 Å²	86	131.7 Å²	131.7	71%	0.711	71%	0.713	S	S	*	*			trans	-66.7	-179.9	172.6	0	0	0	0	0	112.6	P1626	P1626-A1628 PolarHBondContact O-N 2.94Å
1629	P	30.8	Very low	26.6	Very low	126 Å²	126	125.7 Å²	125.7	82%	0.818	71%	0.709	S	S	*	*			cis	-119.5	-170.9	-5.7	36.8	-17.2	0	0	0	111.3
1630	A	29	Very low	26.4	Very low	78 Å²	78	125.4 Å²	125.4	65%	0.645	72%	0.717	S	S	*	*			cis	177.7	166.2	49.4	0	0	0	0	0	106.8
1631	Q	27	Very low	26.2	Very low	174 Å²	174	118.5 Å²	118.5	81%	0.813	71%	0.705	S	S	*	*			cis	-161.6	154	-2.3	-108.5	163.6	-4.3	0	0	104.7
1632	V	21.9	Very low	25.8	Very low	127 Å²	127	120.9 Å²	120.9	77%	0.77	71%	0.712	S	S	*	*			cis	63.7	82.9	23.3	-168.2	0	0	0	0	112.6
1633	T	27.1	Very low	25.6	Very low	123 Å²	123	121.4 Å²	121.4	76%	0.755	71%	0.713	S	S	*	*				-160.7	133.9	98.1	30	0	0	0	0	110.5
1634	S	23.8	Very low	25.5	Very low	95 Å²	95	125.2 Å²	125.2	66%	0.664	73%	0.729	S	S	*	*				70.9	114	77.3	86.1	0	0	0	0	118
1635	S	24	Very low	25.3	Very low	101 Å²	101	121.3 Å²	121.3	71%	0.706	73%	0.73	S	S	*	*			trans	70.1	127.7	136.4	64.8	0	0	0	0	123.8
1636	F	23.6	Very low	25.3	Very low	189 Å²	189	122.5 Å²	122.5	83%	0.829	74%	0.736	S	S	*	*			trans	83.2	120.8	137.7	-97.9	-102.9	0	0	0	122.8
1637	H	23.6	Very low	24.9	Very low	157 Å²	157	124.9 Å²	124.9	73%	0.727	74%	0.738	S	S	*	*			trans	40.5	110.4	146	-90.2	34.2	0	0	0	122.3
1638	Q	23.4	Very low	24.9	Very low	162 Å²	162	125.6 Å²	125.6	76%	0.757	72%	0.722	S	S	*	*				88.5	103.3	108	-166.8	176.4	18	0	0	120.1
1639	A	22.6	Very low	24.8	Very low	90 Å²	90	128.8 Å²	128.8	74%	0.744	72%	0.72	S	S	*	*			trans	66.6	161.6	150	0	0	0	0	0	116.4
1640	V	21.6	Very low	24.4	Very low	132 Å²	132	131 Å²	131	80%	0.8	72%	0.719	S	S	*	*			cis	-138.3	153.2	14.4	174.9	0	0	0	0	108.7
1641	A	23.6	Very low	24.1	Very low	73 Å²	73	135.7 Å²	135.7	60%	0.603	73%	0.727	S	S	*	*			trans	63.5	166.1	167.8	0	0	0	0	0	114.8
1642	E	23.2	Very low	23.9	Very low	175 Å²	175	134.5 Å²	134.5	82%	0.818	72%	0.722	S	S	*	*			cis	-156.8	154.7	-22.4	-103.5	152.8	-156.7	0	0	102.8
1643	I	26.6	Very low	24.1	Very low	123 Å²	123	135.3 Å²	135.3	63%	0.631	72%	0.715	S	S	*	*			cis	-156.7	174.5	26.5	-140.2	160.1	0	0	0	109.2
1644	E	26.1	Very low	24.1	Very low	153 Å²	153	137.6 Å²	137.6	72%	0.715	72%	0.722	S	S	*	*			trans	17.3	119	165.6	-67.2	126.2	-151.2	0	0	119.8
1645	A	24	Very low	24.3	Very low	77 Å²	77	135.8 Å²	135.8	64%	0.636	72%	0.719	S	S	*	*				79.6	155.2	58.3	0	0	0	0	0	114.1
1646	D	26.2	Very low	24.4	Very low	139 Å²	139	136.1 Å²	136.1	74%	0.743	72%	0.721	S	S	*	*			trans	66.3	147.5	162.1	-52	-22.7	0	0	0	117.1
1647	E	25.7	Very low	24.7	Very low	158 Å²	158	133 Å²	133	74%	0.738	71%	0.712	S	S	*	*			cis	-154.7	171	-11.2	-125.7	177.3	172.1	0	0	109.4
1648	D	25.2	Very low	24.5	Very low	100 Å²	100	130.8 Å²	130.8	54%	0.535	70%	0.699	S	S	.	*			trans	49.2	121.6	144.7	-78.9	15.5	0	0	0	122.7
1649	K	23	Very low	24.9	Very low	153 Å²	153	127.3 Å²	127.3	67%	0.665	69%	0.69	S	S	*	*				74.3	123.2	84.8	-66.6	-171.2	-163.9	78	0	115.1
1650	E	21.3	Very low	24.9	Very low	171 Å²	171	128.4 Å²	128.4	80%	0.799	68%	0.678	S	S	*	*			trans	63.2	132.1	135.1	-64.9	-173.4	143.4	0	0	122.8
1651	E	22	Very low	25	Very low	177 Å²	177	130.2 Å²	130.2	83%	0.827	68%	0.676	S	S	*	*			trans	71	155.7	151.4	-67.7	-163.7	148.3	0	0	121.5
1652	E	24.8	Very low	24.8	Very low	150 Å²	150	129.3 Å²	129.3	70%	0.701	66%	0.663	S	S	*	*			trans	65.8	144.5	177.5	-52.9	-147	163	0	0	117.1
1653	K	24.9	Very low	24.9	Very low	144 Å²	144	128.4 Å²	128.4	63%	0.626	66%	0.656	S	S	*	*			cis	-166.3	161	-18.2	-115.4	177.3	-160.6	145.8	0	107.6
1654	L	26.4	Very low	24.6	Very low	170 Å²	170	128.1 Å²	128.1	89%	0.89	65%	0.652	S	S	*	*			trans	59.5	136.3	155.5	-62.1	156.6	0	0	0	117.7
1655	G	29	Very low	24.4	Very low	58 Å²	58	125.9 Å²	125.9	60%	0.598	64%	0.638	S	S	*	*			cis	151.5	148.1	-5.7	0	0	0	0	0	111.8
1656	S	26.5	Very low	24.4	Very low	107 Å²	107	128 Å²	128	75%	0.748	64%	0.644	S	S	*	*			trans	59.3	136.8	166.1	57.3	0	0	0	0	119.4
1657	N	28.4	Very low	24.2	Very low	123 Å²	123	126.2 Å²	126.2	66%	0.658	63%	0.634	S	S	*	*			cis	-153.7	144.8	-2.6	-104.1	-6.9	0	0	0	110.7	N1911	N1657-N1911 PolarHBondContact O-ND2 2.61Å
1658	Y	21.5	Very low	24.2	Very low	112 Å²	112	126.2 Å²	126.2	44%	0.439	64%	0.639	S	S	.	*			trans	-102.2	-173.4	148.9	-130.1	-122.6	0	0	0	107.7	Y1912 E1913	Y1658-Y1912 WeakPolarHBondContact CD2-O 3.28Å; Y1658-Y1912 WeakPolarHBondContact CE2-O 2.88Å; Y1658-E1913 VanDerWaalsContact CE1-C 3.46Å; Y1658-E1913 VanDerWaalsContact CE1-CA 3.47Å
1659	P	31.8	Very low	24.3	Very low	89 Å²	89	127.1 Å²	127.1	58%	0.578	65%	0.648	S	S	*	*				-122.8	-137.8	-124.7	39.8	-19.4	0	0	0	112.5
1660	F	22	Very low	24.4	Very low	113 Å²	113	125.5 Å²	125.5	50%	0.496	66%	0.656	S	S	.	*			trans	86.8	96.5	175.5	-68.3	-72.9	0	0	0	118.2	T1662	F1660-T1662 HydrophobicContact CB-CG2 4.07Å; F1660-T1662 HydrophobicContact CD1-CG2 3.81Å; F1660-T1662 HydrophobicContact CG-CG2 4.31Å
1661	F	22.6	Very low	24.6	Very low	169 Å²	169	122.2 Å²	122.2	74%	0.741	65%	0.648	S	S	*	*				-99.4	148.5	104.7	-76.6	-92.7	0	0	0	107	F1663	F1661-F1663 HydrophobicContact CB-CD2 4.25Å; F1661-F1663 AromaticContact CD1-CD2 3.61Å; F1661-F1663 HydrophobicContact CD1-CD2 3.61Å; F1661-F1663 AromaticContact CD1-CE2 3.33Å; F1661-F1663 HydrophobicContact CD1-CE2 3.33Å; F1661-F1663 HydrophobicContact CD1-CZ 4.31Å; F1661-F1663 HydrophobicContact CE1-CD2 4.3Å; F1661-F1663 AromaticContact CE1-CE2 3.55Å; F1661-F1663 HydrophobicContact CE1-CE2 3.55Å; F1661-F1663 HydrophobicContact CE1-CZ 4.24Å; F1661-F1663 HydrophobicContact CG-CD2 4.2Å; F1661-F1663 HydrophobicContact CG-CE2 4.21Å
1662	T	21	Very low	24.9	Very low	55 Å²	55	119.4 Å²	119.4	34%	0.337	65%	0.647	S	S	.	*			cis	68	58.3	7.6	84.5	0	0	0	0	117.9	F1660 A1918	F1660-T1662 HydrophobicContact CB-CG2 4.07Å; F1660-T1662 HydrophobicContact CD1-CG2 3.81Å; F1660-T1662 HydrophobicContact CG-CG2 4.31Å; T1662-A1918 WeakPolarHBondContact CG2-O 3.18Å
1663	F	23.5	Very low	24.9	Very low	155 Å²	155	120 Å²	120	68%	0.68	66%	0.655	S	S	*	*			trans	-122.7	127.5	142	-85.8	-81.8	0	0	0	106.4	F1661	F1661-F1663 HydrophobicContact CB-CD2 4.25Å; F1661-F1663 AromaticContact CD1-CD2 3.61Å; F1661-F1663 HydrophobicContact CD1-CD2 3.61Å; F1661-F1663 AromaticContact CD1-CE2 3.33Å; F1661-F1663 HydrophobicContact CD1-CE2 3.33Å; F1661-F1663 HydrophobicContact CD1-CZ 4.31Å; F1661-F1663 HydrophobicContact CE1-CD2 4.3Å; F1661-F1663 AromaticContact CE1-CE2 3.55Å; F1661-F1663 HydrophobicContact CE1-CE2 3.55Å; F1661-F1663 HydrophobicContact CE1-CZ 4.24Å; F1661-F1663 HydrophobicContact CG-CD2 4.2Å; F1661-F1663 HydrophobicContact CG-CE2 4.21Å
1664	Q	22	Very low	25.1	Very low	117 Å²	117	120.1 Å²	120.1	55%	0.547	67%	0.668	S	S	.	*			cis	61.9	116.2	48.5	-66.3	-157.6	-59	0	0	115.2	S1920	Q1664-S1920 VanDerWaalsContact CA-O 3.25Å; Q1664-S1920 WeakPolarHBondContact CA-O 3.26Å; Q1664-S1920 PolarHBondContact N-O 3.02Å
1665	Y	21.7	Very low	25.2	Very low	106 Å²	106	115 Å²	115	42%	0.416	66%	0.656	S	S	.	*			trans	8.4	113.6	140.3	-87.1	-56.3	0	0	0	117	D1921 V1922 F1923	Y1665-D1921 HydrophobicContact CD1-CB 3.93Å; Y1665-D1921 HydrophobicContact CD2-CB 3.18Å; Y1665-D1921 WeakPolarHBondContact CD2-OD2 3.34Å; Y1665-D1921 HydrophobicContact CE1-CB 4.17Å; Y1665-D1921 HydrophobicContact CE2-CB 3.4Å; Y1665-D1921 VanDerWaalsContact CE2-OD1 3.31Å; Y1665-D1921 WeakPolarHBondContact CE2-OD1 3.25Å; Y1665-D1921 HydrophobicContact CG-CB 3.44Å; Y1665-D1921 VanDerWaalsContact CG-CB 3.44Å; Y1665-V1922 HydrophobicContact CD1-CB 4.01Å; Y1665-V1922 HydrophobicContact CD1-CG1 4.34Å; Y1665-V1922 WeakPolarHBondContact CD1-O 3.23Å; Y1665-V1922 HydrophobicContact CE1-CB 3.44Å; Y1665-V1922 VanDerWaalsContact CE1-CB 3.44Å; Y1665-V1922 HydrophobicContact CE1-CG1 3.48Å; Y1665-V1922 VanDerWaalsContact CE1-CG1 3.48Å; Y1665-V1922 HydrophobicContact CE1-CG2 4.32Å; Y1665-F1923 AromaticContact CD1-CD2 3.69Å; Y1665-F1923 HydrophobicContact CD1-CD2 3.69Å; Y1665-F1923 AromaticContact CD1-CE2 3.32Å; Y1665-F1923 HydrophobicContact CD1-CE2 3.32Å; Y1665-F1923 HydrophobicContact CD1-CZ 4.33Å; Y1665-F1923 AromaticContact CE1-CD2 3.84Å; Y1665-F1923 HydrophobicContact CE1-CD2 3.84Å; Y1665-F1923 AromaticContact CE1-CE2 3.39Å; Y1665-F1923 HydrophobicContact CE1-CE2 3.39Å; Y1665-F1923 HydrophobicContact CE1-CZ 4.03Å
1666	T	23	Very low	25.2	Very low	123 Å²	123	119.9 Å²	119.9	76%	0.755	67%	0.668	S	S	*	*				178.4	118.5	122.9	22.6	0	0	0	0	107
1667	D	23.3	Very low	25.2	Very low	101 Å²	101	120.8 Å²	120.8	54%	0.54	66%	0.663	S	S	.	*				63.1	111.7	79.5	-78.9	-38.2	0	0	0	113.3	T1669 F1923	D1667-T1669 PolarHBondContact O-N 3.33Å; D1667-F1923 VanDerWaalsContact OD1-CE2 3.25Å; D1667-F1923 WeakPolarHBondContact OD1-CE2 3.25Å; D1667-F1923 VanDerWaalsContact OD1-CZ 3.23Å; D1667-F1923 WeakPolarHBondContact OD1-CZ 3.42Å; D1667-F1923 WeakPolarHBondContact OD2-CE2 3.23Å; D1667-F1923 VanDerWaalsContact OD2-CZ 3.25Å; D1667-F1923 WeakPolarHBondContact OD2-CZ 2.86Å
1668	D	25.2	Very low	25.1	Very low	157 Å²	157	120.3 Å²	120.3	84%	0.84	67%	0.665	S	S	*	*			trans	-75.9	109	-177.1	-84.2	-46.2	0	0	0	113.3
1669	T	26.1	Very low	25.5	Very low	120 Å²	120	119.8 Å²	119.8	74%	0.736	67%	0.673	S	S	*	*			trans	49.5	123.1	135.9	66.3	0	0	0	0	121.3	D1667	D1667-T1669 PolarHBondContact O-N 3.33Å
1670	S	25.9	Very low	25.5	Very low	118 Å²	118	124.5 Å²	124.5	83%	0.825	69%	0.685	S	S	*	*				-162.2	98.5	121.6	67.3	0	0	0	0	114.4
1671	V	26	Very low	25.8	Very low	103 Å²	103	124.7 Å²	124.7	62%	0.624	70%	0.699	S	S	*	*			trans	12.8	128.3	140.4	-178.8	0	0	0	0	119.7
1672	S	26.8	Very low	26.1	Very low	117 Å²	117	126.2 Å²	126.2	82%	0.818	70%	0.7	S	S	*	*				-171.7	141.5	118.1	37.5	0	0	0	0	113.6
1673	N	25.8	Very low	26.4	Very low	162 Å²	162	129.3 Å²	129.3	87%	0.866	71%	0.714	S	S	*	*			trans	-112.2	130	-176.8	-89.6	-37.8	0	0	0	111.8
1674	T	29.7	Very low	26.7	Very low	147 Å²	147	124.5 Å²	124.5	90%	0.902	71%	0.708	S	S	*	*			trans	-163.5	140	140.7	41.6	0	0	0	0	108.5
1675	G	28	Very low	26.9	Very low	62 Å²	62	124.6 Å²	124.6	64%	0.639	72%	0.722	S	S	*	*			cis	132.8	126.2	-8.5	0	0	0	0	0	113
1676	L	27.7	Very low	27.3	Very low	161 Å²	161	124 Å²	124	84%	0.843	73%	0.733	S	S	*	*			trans	71.7	158.2	159.1	-51.9	172.8	0	0	0	115.8
1677	I	28.3	Very low	27.4	Very low	127 Å²	127	124.6 Å²	124.6	65%	0.651	73%	0.731	S	S	*	*			cis	-147	122.5	-3.1	-128.6	158.7	0	0	0	112.6
1678	T	26.1	Very low	27.5	Very low	112 Å²	112	125.7 Å²	125.7	69%	0.687	74%	0.738	S	S	*	*				34.7	-177.1	122.3	84	0	0	0	0	124.9
1679	T	29	Very low	27.4	Very low	101 Å²	101	125.6 Å²	125.6	62%	0.62	73%	0.732	S	S	*	*			trans	109.6	138	160.1	69.7	0	0	0	0	116.2
1680	K	31.3	Very low	27.4	Very low	189 Å²	189	125.8 Å²	125.8	82%	0.822	73%	0.733	S	S	*	*			cis	-154	-177.6	-2.1	-116	158.8	-166.5	162	0	108.3
1681	C	28.4	Very low	27.5	Very low	116 Å²	116	126.7 Å²	126.7	78%	0.784	73%	0.727	S	S	*	*			cis	-148.9	-127.3	18.8	-153.4	0	0	0	0	113.1
1682	R	28.5	Very low	27.6	Very low	202 Å²	202	128.2 Å²	128.2	76%	0.762	73%	0.732	S	S	*	*			trans	-145.5	179	177.6	-66.9	177.5	51.6	171.8	-7.8	108.1
1683	D	27.9	Very low	27.5	Very low	120 Å²	120	127.9 Å²	127.9	64%	0.642	73%	0.725	S	S	*	*			cis	-148.7	176.9	12.3	-105.5	-54.8	0	0	0	108.8
1684	G	30.2	Very low	27.5	Very low	54 Å²	54	126 Å²	126	56%	0.557	72%	0.719	S	S	*	*			cis	134.1	151.3	-4.6	0	0	0	0	0	114.4
1685	S	26.7	Very low	27.4	Very low	119 Å²	119	124.7 Å²	124.7	83%	0.832	71%	0.711	S	S	*	*			trans	66.2	161.2	166.9	79.2	0	0	0	0	118.6
1686	S	30.1	Very low	27.3	Very low	92 Å²	92	125.3 Å²	125.3	64%	0.643	71%	0.711	S	S	*	*			cis	-172.7	-177.8	-32.7	58.3	0	0	0	0	110.1
1687	N	24.9	Very low	27.2	Very low	136 Å²	136	123.5 Å²	123.5	73%	0.727	71%	0.706	S	S	*	*			trans	97.8	131.1	157.3	-60.1	0.9	0	0	0	120.2
1688	N	25.1	Very low	27.1	Very low	125 Å²	125	122.6 Å²	122.6	67%	0.668	71%	0.707	S	S	*	*			trans	61.4	150.3	148	-63.1	39.5	0	0	0	119.3
1689	E	23	Very low	27.1	Very low	155 Å²	155	123.9 Å²	123.9	72%	0.724	71%	0.709	S	S	*	*			cis	-172.2	169.6	-16.9	-109.7	174.4	145.7	0	0	107.5
1690	T	25.7	Very low	27	Very low	124 Å²	124	125 Å²	125	76%	0.761	72%	0.716	S	S	*	*			trans	108.6	143.7	154	71.1	0	0	0	0	120.4
1691	I	29.1	Very low	26.8	Very low	136 Å²	136	122.6 Å²	122.6	70%	0.697	71%	0.713	S	S	*	*			trans	78.9	93.4	156.7	-68.3	155	0	0	0	117.6
1692	D	26.8	Very low	26.6	Very low	135 Å²	135	121.5 Å²	121.5	72%	0.722	70%	0.702	S	S	*	*				72.3	142	123.2	-59.3	-4.6	0	0	0	120.9
1693	T	26	Very low	26.7	Very low	111 Å²	111	116.9 Å²	116.9	68%	0.681	70%	0.698	S	S	*	*			cis	-163.4	146.3	-2.5	15.7	0	0	0	0	112.4
1694	V	24.5	Very low	26.6	Very low	121 Å²	121	117.6 Å²	117.6	73%	0.733	70%	0.698	S	S	*	*				36.1	132.6	120.7	-177	0	0	0	0	118
1695	T	27.6	Very low	26.3	Very low	120 Å²	120	123.4 Å²	123.4	74%	0.736	71%	0.708	S	S	*	*			cis	-152.1	148.7	16.8	13.7	0	0	0	0	107.6
1696	A	25.5	Very low	26.1	Very low	76 Å²	76	123.4 Å²	123.4	63%	0.628	70%	0.703	S	S	*	*			cis	98.4	138.4	30.7	0	0	0	0	0	116.1
1697	T	25.9	Very low	25.8	Very low	123 Å²	123	126.7 Å²	126.7	76%	0.755	71%	0.708	S	S	*	*			trans	71.3	147.4	145.6	50.6	0	0	0	0	120.9
1698	T	27.1	Very low	25.8	Very low	108 Å²	108	129.8 Å²	129.8	66%	0.663	71%	0.711	S	S	*	*			cis	-162.9	145.4	3.4	9.3	0	0	0	0	113.9
1699	N	26.6	Very low	25.7	Very low	138 Å²	138	131.7 Å²	131.7	74%	0.738	71%	0.713	S	S	*	*				40.7	147.5	126	-59.2	-1	0	0	0	122.4
1700	T	26	Very low	25.8	Very low	124 Å²	124	129.8 Å²	129.8	76%	0.761	71%	0.712	S	S	*	*			cis	-152.1	-147.8	0.1	10.6	0	0	0	0	109.9
1701	N	26.4	Very low	25.8	Very low	140 Å²	140	131.6 Å²	131.6	75%	0.749	71%	0.712	S	S	*	*			cis	-166.4	-179.9	18.9	-159	9.7	0	0	0	114.9
1702	T	25.3	Very low	25.6	Very low	92 Å²	92	132.9 Å²	132.9	56%	0.564	72%	0.715	S	S	*	*			trans	-109.1	175.7	-178.9	44.8	0	0	0	0	112.7
1703	P	30.7	Very low	25.5	Very low	105 Å²	105	134.9 Å²	134.9	68%	0.682	71%	0.714	S	S	*	*			cis	-158.4	160.3	34.2	44	-20.4	0	0	0	123.9
1704	Q	25.8	Very low	25.4	Very low	135 Å²	135	135.5 Å²	135.5	63%	0.631	71%	0.712	S	S	*	*			trans	56.4	150.8	139.9	-69.4	-163.2	-79.2	0	0	126.9	Y2220	Q1704-Y2220 WeakPolarHBondContact CG-OH 3.11Å; Q1704-Y2220 PolarHBondContact NE2-OH 3.38Å; Q1704-Y2220 PolarHBondContact OE1-OH 2.99Å
1705	F	23.2	Very low	25.3	Very low	176 Å²	176	134.7 Å²	134.7	77%	0.772	71%	0.712	S	S	*	*			trans	89.5	111.5	155.8	-95.2	-87.4	0	0	0	121.4
1706	V	22.5	Very low	25.2	Very low	119 Å²	119	133.5 Å²	133.5	72%	0.721	71%	0.709	S	S	*	*			trans	74.6	144.4	151.8	166.2	0	0	0	0	120.6
1707	Q	24.9	Very low	25	Very low	162 Å²	162	135.6 Å²	135.6	76%	0.757	72%	0.719	S	S	*	*			trans	-0.2	134.9	169	-63.9	175.9	-35.5	0	0	120.4
1708	Y	23.9	Very low	25	Very low	200 Å²	200	135.8 Å²	135.8	78%	0.784	72%	0.72	S	S	*	*				-174.7	-169.1	107.9	-117.5	-95.5	0	0	0	114.2
1709	K	22.6	Very low	25.1	Very low	166 Å²	166	137.2 Å²	137.2	72%	0.722	72%	0.722	S	S	*	*			trans	-68.8	-175.1	171	-51.9	165.9	-173.2	174.6	0	109.9
1710	T	26.2	Very low	25	Very low	115 Å²	115	137.1 Å²	137.1	71%	0.706	72%	0.721	S	S	*	*			cis	-170.4	150.1	28.8	-17.5	0	0	0	0	104.6
1711	Q	25.2	Very low	25.1	Very low	162 Å²	162	138 Å²	138	76%	0.757	72%	0.721	S	S	*	*			cis	61.4	128.3	48.1	-76.8	173.9	-14.2	0	0	114.2
1712	Q	24.5	Very low	25.2	Very low	162 Å²	162	138 Å²	138	76%	0.757	72%	0.722	S	S	*	*			cis	-168.1	-177.3	-6.8	-147.5	-176.8	11.9	0	0	110.8
1713	Y	25.6	Very low	25.5	Very low	177 Å²	177	137.9 Å²	137.9	69%	0.694	72%	0.724	S	S	*	*			trans	83.3	-177.1	160.2	-109.2	-114.1	0	0	0	119.7
1714	L	23.3	Very low	25.4	Very low	124 Å²	124	140 Å²	140	65%	0.649	73%	0.729	S	S	*	*			trans	-51	165.6	-169.3	-70.9	163.7	0	0	0	118.8
1715	S	23.6	Very low	25.2	Very low	105 Å²	105	141.9 Å²	141.9	73%	0.734	74%	0.743	S	S	*	*			trans	74.3	116.1	151	53	0	0	0	0	120.8
1716	S	23.6	Very low	25.4	Very low	95 Å²	95	137.8 Å²	137.8	66%	0.664	74%	0.737	S	S	*	*	S	Bend	trans	48.8	95.7	145.3	58.3	0	0	0	0	119.7	V1718	S1716-V1718 PolarHBondContact O-N 3.35Å
1717	S	22.7	Very low	25.4	Very low	120 Å²	120	140 Å²	140	84%	0.839	74%	0.743	S	S	*	*			trans	50.1	59.5	131.8	65	0	0	0	0	117.9
1718	V	26.6	Very low	25.4	Very low	127 Å²	127	135.7 Å²	135.7	77%	0.77	73%	0.73	S	S	*	*			trans	-132.1	93.4	156	-177	0	0	0	0	109.9	S1716	S1716-V1718 PolarHBondContact O-N 3.35Å
1719	I	27.8	Very low	25.5	Very low	137 Å²	137	132.2 Å²	132.2	70%	0.703	73%	0.726	S	S	*	*			trans	52.7	101.3	130.9	-57.8	173.6	0	0	0	117.6
1720	D	25.7	Very low	25.6	Very low	137 Å²	137	126.6 Å²	126.6	73%	0.733	70%	0.702	S	S	*	*			trans	69.2	143.4	134.4	-50.1	-12.6	0	0	0	123.1
1721	D	26.3	Very low	25.7	Very low	141 Å²	141	128 Å²	128	75%	0.754	70%	0.698	S	S	*	*			trans	56.5	101.3	151.1	-69.4	-0.1	0	0	0	119.5
1722	N	30.1	Very low	25.7	Very low	142 Å²	142	129.2 Å²	129.2	76%	0.759	70%	0.697	S	S	*	*				-173.6	154.7	60.6	-112.5	-64.7	0	0	0	116.5
1723	S	30.6	Very low	25.6	Very low	89 Å²	89	127.2 Å²	127.2	62%	0.622	69%	0.692	S	S	*	*			trans	49.6	106.6	147.2	69.2	0	0	0	0	122.8
1724	L	28.5	Very low	25.6	Very low	149 Å²	149	122 Å²	122	78%	0.78	68%	0.681	S	S	*	*				59.7	101.6	123	-64	163.7	0	0	0	120.3
1725	N	22	Very low	25.6	Very low	174 Å²	174	124.2 Å²	124.2	93%	0.93	69%	0.687	S	S	*	*	S	Bend		-92.4	138.8	112.4	-103	-18.7	0	0	0	107.2
1726	S	27.1	Very low	25.6	Very low	91 Å²	91	124.1 Å²	124.1	64%	0.636	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-96.6	136.1	-163.9	51.1	0	0	0	0	114.8
1727	I	22.9	Very low	25.5	Very low	165 Å²	165	123.6 Å²	123.6	85%	0.846	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-80.5	167.1	151.7	-68.1	175.5	0	0	0	108.4
1728	S	24.8	Very low	25.9	Very low	71 Å²	71	122 Å²	122	50%	0.497	67%	0.668	S	S	.	*			trans	71.7	115.7	-170.5	77.9	0	0	0	0	113.5	P2231 Q2232	S1728-P2231 CarbonylContact C-O 3.18Å; S1728-P2231 VanDerWaalsContact CB-O 3.31Å; S1728-P2231 WeakPolarHBondContact CB-O 3.22Å; S1728-P2231 VanDerWaalsContact O-O 3.05Å; S1728-P2231 PolarHBondContact OG-O 3.14Å; S1728-Q2232 CarbonylContact C-O 3.59Å; S1728-Q2232 PolarHBondContact O-N 3.4Å
1729	N	24.9	Very low	25.7	Very low	128 Å²	128	121.5 Å²	121.5	68%	0.684	67%	0.67	S	S	*	*			cis	98.2	86.1	33.2	-178	36.3	0	0	0	113.5	P2231 Q2232	N1729-P2231 CarbonylContact O-C 3.36Å; N1729-Q2232 PolarHBondContact N-O 2.81Å
1730	E	25.2	Very low	25.6	Very low	47 Å²	47	119.9 Å²	119.9	22%	0.22	67%	0.671	C	S	.	*	B	Isolated β-bridge	trans	170.5	173.5	155	-115.8	174.8	-142.5	0	0	118.1	N2230 P2231 Q2232 A2233	E1730-N2230 WeakPolarHBondContact OE1-CA 3.48Å; E1730-N2230 WeakPolarHBondContact OE1-CB 3.44Å; E1730-N2230 PolarHBondContact OE1-N 3.36Å; E1730-N2230 PolarHBondContact OE1-ND2 2.81Å; E1730-N2230 WeakPolarHBondContact OE2-CB 3.4Å; E1730-N2230 PolarHBondContact OE2-ND2 2.7Å; E1730-P2231 HydrophobicContact CB-CB 3.78Å; E1730-P2231 WeakPolarHBondContact OE2-CB 3.49Å; E1730-Q2232 VanDerWaalsContact N-CA 3.31Å; E1730-A2233 CarbonylContact O-C 3.21Å; E1730-A2233 WeakPolarHBondContact O-CA 3.46Å; E1730-A2233 PolarHBondContact O-N 2.86Å; E1730-A2233 VanDerWaalsContact O-O 3.12Å
1731	K	27.9	Very low	25.4	Very low	145 Å²	145	117.8 Å²	117.8	63%	0.63	66%	0.663	S	S	*	*			trans	64	55.3	168.1	-76.4	-163.4	170.6	-174.1	0	114.7	Q2232	K1731-Q2232 HydrophobicContact CB-CG 4.28Å
1732	Y	26	Very low	25.2	Very low	188 Å²	188	116.3 Å²	116.3	74%	0.737	66%	0.664	S	S	*	*				4.7	133.6	129.3	-77.4	-85	0	0	0	118.3
1733	D	22.8	Very low	25.1	Very low	120 Å²	120	114.3 Å²	114.3	64%	0.642	66%	0.659	S	S	*	*			trans	50	88.3	151.6	-51	-26.9	0	0	0	117.8	L2234	D1733-L2234 VanDerWaalsContact N-CD2 3.25Å
1734	S	25.3	Very low	25	Very low	67 Å²	67	116.9 Å²	116.9	47%	0.469	66%	0.664	S	S	.	*				78.3	114.9	66.5	83.4	0	0	0	0	114
1735	H	24.3	Very low	24.8	Very low	170 Å²	170	114 Å²	114	79%	0.787	66%	0.657	S	S	*	*			trans	-176.2	141.5	142.4	-100	-59.9	0	0	0	112.2
1736	I	23.2	Very low	24.8	Very low	104 Å²	104	113.6 Å²	113.6	53%	0.533	65%	0.649	S	S	.	*			trans	63.7	77.6	143.5	-55.2	167.3	0	0	0	117.7
1737	S	21.9	Very low	24.9	Very low	84 Å²	84	113.4 Å²	113.4	59%	0.587	65%	0.647	S	S	*	*				44.8	124	120.7	70.9	0	0	0	0	123.5
1738	A	29.1	Very low	24.9	Very low	85 Å²	85	108.5 Å²	108.5	70%	0.702	64%	0.638	S	S	*	*			trans	74.4	108.1	148.4	0	0	0	0	0	122.1
1739	S	24.3	Very low	25.2	Very low	118 Å²	118	112.6 Å²	112.6	83%	0.825	65%	0.653	S	S	*	*			trans	-150.6	154.2	144.9	53.7	0	0	0	0	107.1
1740	S	24.4	Very low	25.2	Very low	102 Å²	102	113.8 Å²	113.8	71%	0.713	65%	0.654	S	S	*	*			cis	-164.8	148	-11.3	42.8	0	0	0	0	111.1
1741	V	22.2	Very low	25.2	Very low	93 Å²	93	116.4 Å²	116.4	56%	0.564	67%	0.669	S	S	*	*				16.6	135.7	129.4	-164.7	0	0	0	0	118.1
1742	S	22.5	Very low	25.2	Very low	110 Å²	110	115 Å²	115	77%	0.769	67%	0.672	S	S	*	*			trans	157.5	157.4	142.6	-78.9	0	0	0	0	111.6
1743	P	28.1	Very low	25.4	Very low	101 Å²	101	111.9 Å²	111.9	66%	0.656	67%	0.669	S	S	*	*				-130.8	-143.8	-129.8	36.7	-15.7	0	0	0	112.9
1744	I	28.2	Very low	25.5	Very low	142 Å²	142	112 Å²	112	73%	0.728	67%	0.668	S	S	*	*			trans	71.1	102.8	165.2	-65.7	155.7	0	0	0	113
1745	S	22.8	Very low	25.8	Very low	90 Å²	90	117.4 Å²	117.4	63%	0.629	68%	0.684	S	S	*	*				71.9	131.5	51.2	88.6	0	0	0	0	114.8
1746	Q	23.9	Very low	26.1	Very low	165 Å²	165	115.2 Å²	115.2	77%	0.771	68%	0.682	S	S	*	*	S	Bend	trans	67.3	156.4	174.6	-58.8	-175.7	-23.7	0	0	116
1747	S	28.5	Very low	26.2	Very low	86 Å²	86	115 Å²	115	60%	0.601	68%	0.679	S	S	*	*			trans	34.4	85	168.5	58.7	0	0	0	0	116.4
1748	G	23.7	Very low	26.3	Very low	63 Å²	63	114.3 Å²	114.3	65%	0.649	67%	0.668	S	S	*	*	S	Bend	trans	-67.1	-149.4	131.8	0	0	0	0	0	109.5	E1750	G1748-E1750 PolarHBondContact O-N 2.86Å
1749	I	30.7	Very low	26.3	Very low	157 Å²	157	113.8 Å²	113.8	81%	0.805	65%	0.651	S	S	*	*	S	Bend	trans	-79.4	71.1	153.2	-57.6	-178.8	0	0	0	107
1750	E	25.1	Very low	26.5	Very low	152 Å²	152	108.8 Å²	108.8	71%	0.71	62%	0.615	S	S	*	*			trans	59.2	124.1	176	-63.5	-178.3	138	0	0	116.3	G1748	G1748-E1750 PolarHBondContact O-N 2.86Å
1751	L	24.9	Very low	26.4	Very low	103 Å²	103	106.4 Å²	106.4	54%	0.539	59%	0.594	S	S	.	*				54.3	114.4	72.9	-69.3	162	0	0	0	109.8
1752	T	27.1	Very low	26.6	Very low	114 Å²	114	107.8 Å²	107.8	70%	0.699	60%	0.595	S	S	*	*			cis	-162.2	166.7	36.8	36.4	0	0	0	0	107.8
1753	D	30.6	Very low	26.6	Very low	123 Å²	123	106.7 Å²	106.7	66%	0.658	59%	0.592	S	S	*	*			cis	-158	144.1	-7.8	-102.1	-16.5	0	0	0	105.5
1754	L	24.9	Very low	27.1	Very low	122 Å²	122	109.4 Å²	109.4	64%	0.639	60%	0.596	S	S	*	*			cis	55.5	93.9	49.5	-77.2	171.4	0	0	0	112.5
1755	K	31.4	Very low	27.1	Very low	181 Å²	181	112 Å²	112	79%	0.787	60%	0.597	S	S	*	*			cis	-158.9	122.9	48.8	-79.7	177.3	-177.6	174.7	0	114.9
1756	T	29.7	Very low	27.8	Very low	124 Å²	124	112.8 Å²	112.8	76%	0.761	60%	0.602	S	S	*	*				-64.5	151.1	104.9	40.9	0	0	0	0	107.6
1757	E	26	Very low	28	Very low	101 Å²	101	107 Å²	107	47%	0.472	59%	0.586	S	S	.	*				170	142	123.4	-94.5	-151	131.7	0	0	110.2
1758	L	24.4	Very low	27.8	Very low	68 Å²	68	107 Å²	107	36%	0.356	58%	0.583	S	S	.	*			trans	65.7	124.5	142	-76.6	32.9	0	0	0	119.2	N1760 L1761	L1758-N1760 VanDerWaalsContact CB-N 3.35Å; L1758-N1760 VanDerWaalsContact CD1-CA 3.41Å; L1758-N1760 VanDerWaalsContact CG-CA 3.47Å; L1758-N1760 HydrophobicContact CG-CB 4.19Å; L1758-N1760 WeakPolarHBondContact CG-OD1 3.24Å; L1758-L1761 HydrophobicContact CD1-CD1 3.77Å; L1758-L1761 HydrophobicContact CD1-CG 3.84Å; L1758-L1761 HydrophobicContact CD2-CD1 4.31Å; L1758-L1761 HydrophobicContact CG-CD1 4.4Å
1759	H	28.7	Very low	27.8	Very low	75 Å²	75	111.8 Å²	111.8	35%	0.347	59%	0.588	S	S	.	*	S	Bend		-102.9	72.2	61.5	-152.6	-131.4	0	0	0	115.8	W1495 T1499 H1500	W1495-H1759 AromaticContact CE2-NE2 3.79Å; W1495-H1759 AromaticContact CZ2-CD2 3.85Å; W1495-H1759 AromaticContact CZ2-NE2 3.49Å; W1495-H1759 WeakPolarHBondContact CZ2-NE2 3.44Å; W1495-H1759 AromaticContact NE1-NE2 3.6Å; T1499-H1759 CarbonylContact C-O 3.58Å; H1500-H1759 WeakPolarHBondContact CB-O 3.47Å; H1500-H1759 PolarHBondContact CD2-O 2.8Å; H1500-H1759 VanDerWaalsContact CD2-O 3.3Å; H1500-H1759 PolarHBondContact N-O 2.83Å; H1500-H1759 PolarHBondContact ND1-O 2.93Å
1760	N	29.6	Very low	27.4	Very low	12 Å²	12	108.9 Å²	108.9	6%	0.064	58%	0.582	C	S	.	*			trans	94.3	-174.1	149.7	-23.2	-53.9	0	0	0	117.5	L1498 T1499 H1500 L1758	L1498-N1760 WeakPolarHBondContact CA-ND2 3.4Å; L1498-N1760 HydrophobicContact CB-CB 3.55Å; L1498-N1760 WeakPolarHBondContact CB-ND2 3.37Å; L1498-N1760 WeakPolarHBondContact CB-OD1 3.04Å; L1498-N1760 WeakPolarHBondContact CD2-OD1 3.42Å; L1498-N1760 HydrophobicContact CG-CB 4.33Å; L1498-N1760 WeakPolarHBondContact CG-ND2 3.11Å; L1498-N1760 WeakPolarHBondContact CG-OD1 2.56Å; L1498-N1760 WeakPolarHBondContact O-CB 3.36Å; T1499-N1760 VanDerWaalsContact CA-CB 3.42Å; T1499-N1760 PolarHBondContact N-ND2 3.5Å; H1500-N1760 CarbonylContact C-O 3.24Å; H1500-N1760 VanDerWaalsContact CA-O 3.26Å; H1500-N1760 WeakPolarHBondContact CA-O 3.33Å; H1500-N1760 WeakPolarHBondContact CB-O 3.38Å; H1500-N1760 PolarHBondContact N-O 3.44Å; H1500-N1760 CarbonylContact O-C 3.59Å; L1758-N1760 VanDerWaalsContact CB-N 3.35Å; L1758-N1760 VanDerWaalsContact CD1-CA 3.41Å; L1758-N1760 VanDerWaalsContact CG-CA 3.47Å; L1758-N1760 HydrophobicContact CG-CB 4.19Å; L1758-N1760 WeakPolarHBondContact CG-OD1 3.24Å
1761	L	22	Very low	27.3	Very low	52 Å²	52	106.7 Å²	106.7	27%	0.272	58%	0.583	S	S	.	*			cis	113.5	-174.3	-10.4	-53.3	174.8	0	0	0	120	K1497 L1498 T1499 H1500 L1758	K1497-L1761 HydrophobicContact CD-CD1 4.26Å; L1498-L1761 CarbonylContact O-C 3.26Å; T1499-L1761 VanDerWaalsContact CA-O 3.23Å; T1499-L1761 WeakPolarHBondContact CA-O 3.1Å; T1499-L1761 WeakPolarHBondContact CG2-O 3.43Å; H1500-L1761 PolarHBondContact O-N 3.06Å; L1758-L1761 HydrophobicContact CD1-CD1 3.77Å; L1758-L1761 HydrophobicContact CD1-CG 3.84Å; L1758-L1761 HydrophobicContact CD2-CD1 4.31Å; L1758-L1761 HydrophobicContact CG-CD1 4.4Å
1762	E	25.5	Very low	27.3	Very low	122 Å²	122	110.7 Å²	110.7	57%	0.57	60%	0.597	S	S	*	*			trans	-132.3	171.4	-154.3	-38	83.8	172.3	0	0	118.7	L1498	L1498-E1762 PolarHBondContact O-N 3.05Å
1763	A	22.6	Very low	27.1	Very low	87 Å²	87	110.3 Å²	110.3	72%	0.719	59%	0.594	S	S	*	*				-170.2	139.9	128.9	0	0	0	0	0	108.4
1764	E	38.9	Very low	26.8	Very low	158 Å²	158	107.7 Å²	107.7	74%	0.738	60%	0.596	S	S	*	*			cis	68.6	152.6	38.7	-55	-163.1	143.3	0	0	114
1765	R	28.1	Very low	26.8	Very low	197 Å²	197	103.7 Å²	103.7	74%	0.743	58%	0.584	S	S	*	*			trans	76.3	39.8	-142.6	-53.4	167.9	151.8	-158.7	-5.6	114.2
1766	S	38.2	Very low	26.4	Very low	107 Å²	107	97.5 Å²	97.5	75%	0.748	56%	0.561	S	S	*	*			trans	-144	88.6	-176.5	53.5	0	0	0	0	111
1767	G	27.9	Very low	26.4	Very low	42 Å²	42	96.8 Å²	96.8	43%	0.433	55%	0.548	S	S	.	.			trans	-165	176.7	176.3	0	0	0	0	0	110	A2238	G1767-A2238 VanDerWaalsContact C-CB 3.41Å
1768	V	24.1	Very low	26.3	Very low	88 Å²	88	96.3 Å²	96.3	53%	0.533	55%	0.548	S	S	.	.			trans	72.3	104.7	-145	-171.6	0	0	0	0	107.6	A2237 A2238	V1768-A2237 HydrophobicContact CG2-CB 4.13Å; V1768-A2238 HydrophobicContact CG2-CB 4.02Å; V1768-A2238 VanDerWaalsContact N-CB 3.32Å
1769	H	23.8	Very low	26.2	Very low	162 Å²	162	96.9 Å²	96.9	75%	0.75	56%	0.558	S	S	*	*				66.6	147.9	81.3	-89.7	-112.2	0	0	0	114.5
1770	S	22.3	Very low	25.8	Very low	97 Å²	97	95.6 Å²	95.6	68%	0.678	56%	0.557	S	S	*	*			trans	55.7	93.5	172.2	43.8	0	0	0	0	117.7
1771	S	23.5	Very low	25.5	Very low	105 Å²	105	99.9 Å²	99.9	73%	0.734	58%	0.584	S	S	*	*				52.6	132.4	121.4	63.9	0	0	0	0	122.7
1772	F	23.4	Very low	25.5	Very low	188 Å²	188	101 Å²	101	83%	0.825	59%	0.587	S	S	*	*			trans	80.4	145.3	137.3	-111.6	-119.4	0	0	0	121.2
1773	T	23	Very low	25.3	Very low	106 Å²	106	96.4 Å²	96.4	65%	0.65	57%	0.569	S	S	*	*			trans	63.9	151.3	155.8	35.9	0	0	0	0	120.9
1774	G	24.2	Very low	25.3	Very low	68 Å²	68	95.1 Å²	95.1	70%	0.701	56%	0.555	S	S	*	*			trans	73.9	70.6	162.9	0	0	0	0	0	114.3
1775	G	24.8	Very low	24.5	Very low	37 Å²	37	95.9 Å²	95.9	38%	0.381	55%	0.551	S	S	.	*			cis	79.3	143.2	30.3	0	0	0	0	0	110.8
1776	T	23.3	Very low	24.2	Very low	51 Å²	51	90.6 Å²	90.6	31%	0.313	54%	0.544	S	S	.	.			trans	65.3	132.2	-174.2	78.7	0	0	0	0	113.4	F1929 H1930	T1776-F1929 HydrophobicContact CG2-CB 4.19Å; T1776-F1929 HydrophobicContact CG2-CD1 3.68Å; T1776-F1929 HydrophobicContact CG2-CD2 3.55Å; T1776-F1929 HydrophobicContact CG2-CE1 3.79Å; T1776-F1929 HydrophobicContact CG2-CE2 3.64Å; T1776-F1929 HydrophobicContact CG2-CG 3.54Å; T1776-F1929 HydrophobicContact CG2-CZ 3.77Å; T1776-F1929 VanDerWaalsContact N-CE2 3.26Å; T1776-H1930 VanDerWaalsContact CG2-CE1 3.44Å; T1776-H1930 WeakPolarHBondContact CG2-CE1 3.23Å
1777	F	29	Very low	23.7	Very low	110 Å²	110	91.8 Å²	91.8	48%	0.482	55%	0.547	S	S	.	.			cis	-133.4	150.3	30.8	-104.9	-112.5	0	0	0	113.8	H1930 Q1931	F1777-H1930 AromaticContact CD2-CE1 3.76Å; F1777-H1930 AromaticContact CE1-CE1 3.79Å; F1777-H1930 AromaticContact CE2-CE1 3.47Å; F1777-H1930 VanDerWaalsContact CE2-CE1 3.47Å; F1777-H1930 WeakPolarHBondContact CE2-CE1 2.85Å; F1777-H1930 AromaticContact CE2-ND1 3.4Å; F1777-H1930 WeakPolarHBondContact CE2-ND1 3.26Å; F1777-H1930 AromaticContact CZ-CE1 3.49Å; F1777-H1930 VanDerWaalsContact CZ-CE1 3.49Å; F1777-H1930 WeakPolarHBondContact CZ-CE1 3.15Å; F1777-H1930 AromaticContact CZ-ND1 3.36Å; F1777-H1930 WeakPolarHBondContact CZ-ND1 3.23Å; F1777-Q1931 HydrophobicContact CE2-CB 4.2Å; F1777-Q1931 HydrophobicContact CE2-CG 4.39Å; F1777-Q1931 HydrophobicContact CZ-CB 4.26Å
1778	L	24.6	Very low	23.6	Very low	91 Å²	91	96.9 Å²	96.9	48%	0.476	56%	0.564	S	S	.	*			trans	20.2	139.1	135.8	-53.7	-172.2	0	0	0	119.1	L558 P578	L558-L1778 HydrophobicContact CD1-CD2 3.58Å; P578-L1778 HydrophobicContact CB-CD2 4.28Å; P578-L1778 HydrophobicContact CG-CD2 4.25Å
1779	S	22.5	Very low	23.6	Very low	79 Å²	79	99 Å²	99	55%	0.552	57%	0.572	S	S	*	*			cis	-178.4	169.2	-0.1	47.7	0	0	0	0	107
1780	S	20	Very low	23.7	Very low	48 Å²	48	96 Å²	96	34%	0.336	56%	0.562	S	S	.	*				29.8	139.2	89.4	-15.3	0	0	0	0	114.6	S560	S560-S1780 WeakPolarHBondContact CB-OG 3.47Å
1781	V	23.2	Very low	23.9	Very low	102 Å²	102	99.2 Å²	99.2	62%	0.618	56%	0.564	S	S	*	*			cis	-129.7	114.1	25.8	173	0	0	0	0	105.8
1782	E	21.6	Very low	24	Very low	75 Å²	75	100.4 Å²	100.4	35%	0.35	56%	0.561	S	S	.	*				63.9	143.4	79	-167.9	-174.5	-83.4	0	0	111.4	S560	S560-E1782 VanDerWaalsContact CB-OE1 3.3Å; S560-E1782 WeakPolarHBondContact CB-OE1 2.94Å; S560-E1782 PolarHBondContact OG-OE1 2.83Å
1783	S	21.9	Very low	24.2	Very low	26 Å²	26	99 Å²	99	18%	0.182	56%	0.556	C	S	.	*			trans	77.2	134.6	-177.8	80.6	0	0	0	0	117.2	F167	F167-S1783 WeakPolarHBondContact O-CB 2.98Å
1784	S	22.2	Very low	24.3	Very low	61 Å²	61	100.3 Å²	100.3	43%	0.427	55%	0.553	S	S	.	*			cis	-166.5	163.9	0.5	34.3	0	0	0	0	111.7
1785	R	22.3	Very low	24.4	Very low	173 Å²	173	98.2 Å²	98.2	65%	0.653	53%	0.527	S	S	*	.			trans	-28	141.1	155.3	-51.6	174.8	-163.6	146.6	11.7	111.3	S169	S169-R1785 PolarHBondContact OG-NH2 2.93Å
1786	S	23	Very low	24.5	Very low	87 Å²	87	100.3 Å²	100.3	61%	0.608	53%	0.53	S	S	*	.			cis	-154	132.9	48.3	59.5	0	0	0	0	113.4
1787	V	26.7	Very low	24.7	Very low	131 Å²	131	103 Å²	103	79%	0.794	54%	0.539	S	S	*	.				62.2	129.6	102.5	-176.1	0	0	0	0	114.1
1788	D	25.3	Very low	24.6	Very low	149 Å²	149	101.8 Å²	101.8	80%	0.797	54%	0.544	S	S	*	.			trans	-68.2	151	-159.8	-48.3	-93.6	0	0	0	116.8
1789	D	24.3	Very low	24.7	Very low	133 Å²	133	102.9 Å²	102.9	71%	0.711	55%	0.554	S	S	*	*				102.7	137.2	127.5	-135.2	-1.4	0	0	0	120.6
1790	N	26.5	Very low	24.9	Very low	99 Å²	99	106.5 Å²	106.5	53%	0.529	56%	0.562	S	S	.	*			trans	61.9	94.3	165.2	-65.5	-60	0	0	0	121.1
1791	K	26.3	Very low	25.1	Very low	164 Å²	164	110.6 Å²	110.6	71%	0.713	58%	0.58	S	S	*	*				52.4	114.7	103.8	-70.6	-172.1	-163.1	98.1	0	117.8
1792	I	25.3	Very low	25.5	Very low	131 Å²	131	110.2 Å²	110.2	67%	0.672	58%	0.58	S	S	*	*				159.8	142.1	92.7	-101.8	154.4	0	0	0	114.7
1793	H	28.7	Very low	25.7	Very low	159 Å²	159	114.7 Å²	114.7	74%	0.736	60%	0.6	S	S	*	*			trans	62.6	134.5	169.4	-63.2	-24	0	0	0	119.2
1794	K	25.5	Very low	25.9	Very low	132 Å²	132	120.3 Å²	120.3	57%	0.574	62%	0.622	S	S	*	*			cis	88.7	138.7	36.4	-72.9	-172.9	173.9	-175.7	0	114	E1983	K1794-E1983 WeakPolarHBondContact CE-OE1 3.39Å; K1794-E1983 IonicContact NZ-OE1 3.4Å; K1794-E1983 PolarHBondContact NZ-OE1 3.23Å
1795	S	24.7	Very low	26.3	Very low	24 Å²	24	124.8 Å²	124.8	17%	0.168	64%	0.64	C	S	.	*			cis	-174.2	140	-3.6	42.5	0	0	0	0	116	L1985 H1986	S1795-L1985 CarbonylContact O-C 3.07Å; S1795-L1985 PolarHBondContact OG-O 3.24Å; S1795-H1986 VanDerWaalsContact C-CE1 3.48Å; S1795-H1986 VanDerWaalsContact C-CG 3.5Å; S1795-H1986 VanDerWaalsContact C-ND1 3.29Å; S1795-H1986 WeakPolarHBondContact O-CA 3.13Å; S1795-H1986 VanDerWaalsContact O-CB 3.27Å; S1795-H1986 WeakPolarHBondContact O-CB 3.46Å; S1795-H1986 PolarHBondContact O-N 2.8Å; S1795-H1986 PolarHBondContact O-ND1 2.64Å
1796	N	28.4	Very low	26.6	Very low	82 Å²	82	122.9 Å²	122.9	44%	0.439	64%	0.642	S	S	.	*			trans	28	124.9	157	-74.9	36.2	0	0	0	124.5	R1984 L1985 H1986	N1796-R1984 HydrophobicContact CB-CB 3.9Å; N1796-R1984 HydrophobicContact CB-CG 4.39Å; N1796-R1984 WeakPolarHBondContact ND2-CD 3.14Å; N1796-R1984 WeakPolarHBondContact OD1-CD 2.83Å; N1796-R1984 PolarHBondContact OD1-NH1 2.78Å; N1796-L1985 CarbonylContact O-C 3.1Å; N1796-L1985 VanDerWaalsContact O-CA 3.28Å; N1796-L1985 WeakPolarHBondContact O-CA 3.3Å; N1796-H1986 VanDerWaalsContact C-CB 3.46Å; N1796-H1986 VanDerWaalsContact C-CG 3.48Å; N1796-H1986 WeakPolarHBondContact O-CB 3.25Å; N1796-H1986 PolarHBondContact O-N 2.72Å
1797	E	27.1	Very low	26.6	Very low	108 Å²	108	121.6 Å²	121.6	51%	0.505	63%	0.632	S	S	.	*			trans	170.8	159.8	140.7	-97.7	-166.8	115	0	0	110	L1985 H1986	E1797-L1985 VanDerWaalsContact CD-CD2 3.42Å; E1797-L1985 HydrophobicContact CG-CB 4.44Å; E1797-L1985 HydrophobicContact CG-CD2 3.64Å; E1797-H1986 HydrophobicContact CB-CB 4.02Å; E1797-H1986 PolarHBondContact N-CD2 2.75Å
1798	S	25.9	Very low	26.6	Very low	84 Å²	84	120.9 Å²	120.9	59%	0.587	63%	0.633	S	S	*	*			cis	-154.1	120.8	-13.4	42.8	0	0	0	0	112.7
1799	T	26.4	Very low	26.5	Very low	113 Å²	113	120.3 Å²	120.3	69%	0.693	63%	0.626	S	S	*	*			trans	35.3	137.7	136.5	56	0	0	0	0	125.5
1800	H	26.8	Very low	26.5	Very low	155 Å²	155	120 Å²	120	72%	0.718	63%	0.629	S	S	*	*			trans	90.8	123.4	140.9	-63.7	-25.6	0	0	0	119.7
1801	L	25.3	Very low	26.5	Very low	134 Å²	134	118.2 Å²	118.2	70%	0.702	62%	0.624	S	S	*	*			cis	85.2	162	48.3	-75.3	-169.2	0	0	0	112.8
1802	P	30.3	Very low	26.5	Very low	95 Å²	95	117.5 Å²	117.5	62%	0.617	63%	0.628	S	S	*	*			cis	-135	-160.8	8.7	25.8	1.2	0	0	0	115.9
1803	E	27.6	Very low	26.5	Very low	168 Å²	168	115.1 Å²	115.1	79%	0.785	62%	0.616	S	S	*	*			trans	87.5	96.3	158.1	-48.8	-162.2	150.8	0	0	116.1
1804	F	26.2	Very low	26.8	Very low	145 Å²	145	112.7 Å²	112.7	64%	0.636	61%	0.614	S	S	*	*			cis	66.3	126.1	41.5	-74.8	-106	0	0	0	116.2
1805	I	28.9	Very low	26.7	Very low	155 Å²	155	108.6 Å²	108.6	80%	0.795	60%	0.602	S	S	*	*				173.1	135.9	120.7	-88.9	153.4	0	0	0	107.6
1806	L	29	Very low	26.7	Very low	133 Å²	133	115.3 Å²	115.3	70%	0.696	63%	0.629	S	S	*	*			cis	-147.2	143	-28.1	-90.7	174.8	0	0	0	104.6
1807	S	23	Very low	26.6	Very low	59 Å²	59	117.1 Å²	117.1	41%	0.413	64%	0.638	S	S	.	*			cis	67.7	95	34.8	-76.3	0	0	0	0	115.9	E1809	S1807-E1809 WeakPolarHBondContact CB-OE1 2.46Å; S1807-E1809 PolarHBondContact OG-OE1 2.67Å
1808	S	27.7	Very low	26.6	Very low	117 Å²	117	114.5 Å²	114.5	82%	0.818	63%	0.632	S	S	*	*			trans	-164.4	73.5	141.6	62.2	0	0	0	0	108.2
1809	E	22.8	Very low	26.6	Very low	137 Å²	137	113.5 Å²	113.5	64%	0.64	62%	0.62	S	S	*	*				65.7	126.4	70.1	-58.7	179.5	179.3	0	0	114.4	S1807	S1807-E1809 WeakPolarHBondContact CB-OE1 2.46Å; S1807-E1809 PolarHBondContact OG-OE1 2.67Å
1810	T	23.6	Very low	26.5	Very low	125 Å²	125	114 Å²	114	77%	0.767	63%	0.626	S	S	*	*			trans	15.7	146	144.9	71.1	0	0	0	0	120.5
1811	S	26.4	Very low	26.6	Very low	62 Å²	62	109.4 Å²	109.4	43%	0.434	62%	0.615	S	S	.	*				-145.1	121.7	110.5	55.2	0	0	0	0	112.9	H2167	S1811-H2167 WeakPolarHBondContact CA-NE2 3.11Å; S1811-H2167 WeakPolarHBondContact CB-CE1 3.42Å; S1811-H2167 VanDerWaalsContact CB-NE2 3.26Å; S1811-H2167 WeakPolarHBondContact CB-NE2 3.35Å; S1811-H2167 PolarHBondContact O-NE2 2.75Å; S1811-H2167 PolarHBondContact OG-CE1 3.27Å; S1811-H2167 PolarHBondContact OG-NE2 2.87Å
1812	N	27.1	Very low	26.7	Very low	150 Å²	150	109.9 Å²	109.9	80%	0.802	62%	0.617	S	S	*	*			trans	-71.4	150.8	155.1	-81.6	-45.2	0	0	0	109.5	H2167	N1812-H2167 WeakPolarHBondContact CA-NE2 3.46Å; N1812-H2167 PolarHBondContact N-NE2 3.3Å; N1812-H2167 PolarHBondContact O-CE1 3.01Å; N1812-H2167 PolarHBondContact O-NE2 3.25Å
1813	I	25.2	Very low	26.6	Very low	80 Å²	80	110.7 Å²	110.7	41%	0.41	62%	0.616	S	S	.	*			trans	-165.2	127.8	145	-99.1	148	0	0	0	107.8	H2167	I1813-H2167 VanDerWaalsContact CD1-CE1 3.45Å; I1813-H2167 WeakPolarHBondContact CD1-CE1 3.27Å; I1813-H2167 PolarHBondContact N-NE2 3.29Å
1814	P	34.9	Very low	26.5	Very low	108 Å²	108	109.8 Å²	109.8	70%	0.701	61%	0.614	S	S	*	*			trans	-97.1	159.8	-179.5	37.1	-35	0	0	0	112.9
1815	S	24.4	Very low	26.4	Very low	46 Å²	46	109.9 Å²	109.9	32%	0.322	62%	0.616	S	S	.	*			trans	165.5	135.9	138.6	39.7	0	0	0	0	115.7	R2166	S1815-R2166 PolarHBondContact OG-NH1 3.27Å
1816	F	24.4	Very low	26.2	Very low	166 Å²	166	110 Å²	110	73%	0.728	61%	0.613	S	S	*	*			trans	61.1	124.8	142.6	-84	-114.9	0	0	0	123.6
1817	L	25.5	Very low	26.1	Very low	119 Å²	119	108.8 Å²	108.8	62%	0.623	62%	0.616	S	S	*	*			trans	62.4	147.1	138.6	-65.3	-173.7	0	0	0	121.9	L1492	L1492-L1817 WeakPolarHBondContact O-CD2 3.1Å
1818	S	26.6	Very low	26.3	Very low	54 Å²	54	111 Å²	111	38%	0.378	64%	0.637	S	S	.	*			cis	-151.9	-173.1	-15	73.4	0	0	0	0	113	S2162	S1818-S2162 WeakPolarHBondContact O-CA 3.49Å; S1818-S2162 PolarHBondContact O-N 2.83Å
1819	D	25.5	Very low	26.2	Very low	63 Å²	63	112 Å²	112	34%	0.337	63%	0.633	S	S	.	*			trans	71	151	157.1	-70.5	29.4	0	0	0	121.1	H2160	D1819-H2160 WeakPolarHBondContact OD2-CA 3.19Å; D1819-H2160 PolarHBondContact OD2-N 3.05Å
1820	C	26.1	Very low	26.8	Very low	122 Å²	122	108.6 Å²	108.6	82%	0.824	62%	0.623	S	S	*	*			trans	-150.5	137.3	-161.2	-66.9	0	0	0	0	113.9
1821	A	27.4	Very low	27.1	Very low	59 Å²	59	107.4 Å²	107.4	49%	0.488	61%	0.611	S	S	.	*			trans	-176.6	140.2	158.3	0	0	0	0	0	106.1	H2161	A1821-H2161 PolarHBondContact N-CE1 3.37Å
1822	I	28.6	Very low	27.1	Very low	145 Å²	145	111.1 Å²	111.1	74%	0.744	62%	0.619	S	S	*	*			cis	72.3	118.9	47.4	-59.6	169.9	0	0	0	109.2
1823	N	27.7	Very low	27	Very low	111 Å²	111	111.9 Å²	111.9	59%	0.594	61%	0.612	S	S	*	*			cis	-140.5	159.8	11.2	-115.5	-11.3	0	0	0	111.5
1824	M	25.6	Very low	27.1	Very low	150 Å²	150	113.4 Å²	113.4	74%	0.739	63%	0.625	S	S	*	*				39.7	139.6	93.6	-57.6	-170.3	152.1	0	0	115.1
1825	Q	24.2	Very low	26.5	Very low	147 Å²	147	115 Å²	115	69%	0.687	63%	0.627	S	S	*	*			cis	-153.5	171	38	-80.5	-175.1	-43.7	0	0	114
1826	Q	25.1	Very low	26.5	Very low	156 Å²	156	119.9 Å²	119.9	73%	0.729	65%	0.648	S	S	*	*			trans	54.7	121.2	146.9	-69.7	161.8	12.5	0	0	119.5
1827	S	26.9	Very low	26.9	Very low	108 Å²	108	117.1 Å²	117.1	76%	0.755	65%	0.647	S	S	*	*			cis	88	103.3	44	78.3	0	0	0	0	115.8
1828	A	27.3	Very low	26.9	Very low	105 Å²	105	117.7 Å²	117.7	87%	0.868	65%	0.65	S	S	*	*			trans	-155.5	162.8	162.3	0	0	0	0	0	111.5
1829	L	24.4	Very low	27	Very low	139 Å²	139	122.3 Å²	122.3	73%	0.728	67%	0.666	S	S	*	*			trans	-130.5	-174.8	-169.3	-70.9	160.3	0	0	0	109.7
1830	P	36	Very low	27	Very low	65 Å²	65	126.9 Å²	126.9	42%	0.422	69%	0.685	S	S	.	*			cis	-128.7	-163.2	-46.4	32.5	-12.5	0	0	0	111.4
1831	I	29.6	Very low	26.9	Very low	100 Å²	100	126.2 Å²	126.2	51%	0.513	68%	0.682	S	S	.	*			trans	164.6	151.9	134.1	-83.7	150.1	0	0	0	115.5	N2389 Q2390	I1831-N2389 HydrophobicContact CD1-CB 3.95Å; I1831-N2389 WeakPolarHBondContact CD1-ND2 2.89Å; I1831-N2389 HydrophobicContact CG1-CB 4.04Å; I1831-N2389 WeakPolarHBondContact CG2-ND2 3.05Å; I1831-Q2390 HydrophobicContact CG1-CB 4.45Å; I1831-Q2390 HydrophobicContact CG1-CG 4.39Å
1832	K	25.8	Very low	27.3	Very low	141 Å²	141	128.7 Å²	128.7	61%	0.613	69%	0.693	S	S	*	*			trans	-87.8	167.4	-177.7	-74.8	168	-175.7	177.8	0	112.9
1833	Y	26.1	Very low	27.1	Very low	165 Å²	165	126.8 Å²	126.8	65%	0.647	69%	0.693	S	S	*	*				178.9	136.5	66.9	-98	-76.8	0	0	0	114.4
1834	T	26.2	Very low	27.1	Very low	112 Å²	112	127.9 Å²	127.9	69%	0.687	70%	0.703	S	S	*	*			trans	36	157.1	134.6	59.5	0	0	0	0	124.2
1835	L	24	Very low	27.1	Very low	141 Å²	141	125.1 Å²	125.1	74%	0.738	70%	0.699	S	S	*	*			cis	-177.1	155.5	-10.7	-100.2	167	0	0	0	111.2
1836	I	24.2	Very low	27.3	Very low	150 Å²	150	121 Å²	121	77%	0.769	69%	0.686	S	S	*	*			trans	68.4	165.6	150.6	-80.2	166.1	0	0	0	117.9
1837	P	31.5	Very low	27.4	Very low	107 Å²	107	122.8 Å²	122.8	70%	0.695	69%	0.688	S	S	*	*			cis	-136.1	172.4	4.4	44.1	-26.4	0	0	0	120.8
1838	N	25.5	Very low	27.5	Very low	131 Å²	131	123.3 Å²	123.3	70%	0.701	69%	0.687	S	S	*	*			trans	47.9	150.5	134.7	-70.4	25.6	0	0	0	131
1839	E	28.5	Very low	27.5	Very low	151 Å²	151	124.2 Å²	124.2	71%	0.706	67%	0.673	S	S	*	*			trans	77.5	145.9	141.2	-80	156.4	-122.4	0	0	122.6
1840	Q	26.2	Very low	27.5	Very low	159 Å²	159	128.9 Å²	128.9	74%	0.743	68%	0.681	S	S	*	*			cis	-169.8	128.3	-19.1	-128.1	-178.5	39.6	0	0	114.8
1841	S	23.6	Very low	26.9	Very low	108 Å²	108	130.8 Å²	130.8	76%	0.755	70%	0.696	S	S	*	*			trans	63	172.2	149.4	82.1	0	0	0	0	122.7
1842	P	35.3	Very low	26.6	Very low	111 Å²	111	131 Å²	131	72%	0.721	71%	0.706	S	S	*	*			cis	-136.4	174.3	-37.1	34.3	-15.1	0	0	0	117.4
1843	S	24.9	Very low	26.5	Very low	105 Å²	105	128.4 Å²	128.4	73%	0.734	71%	0.706	S	S	*	*			trans	119.7	124.2	143.1	74.3	0	0	0	0	122.4
1844	T	28.1	Very low	26.5	Very low	134 Å²	134	127.6 Å²	127.6	82%	0.822	71%	0.713	S	S	*	*			trans	55.2	140.5	156.3	49.1	0	0	0	0	121.6
1845	S	25.9	Very low	26.6	Very low	93 Å²	93	131.8 Å²	131.8	65%	0.65	72%	0.721	S	S	*	*			cis	-169.1	140.3	-5.4	49.7	0	0	0	0	113.2
1846	S	27.3	Very low	26.7	Very low	59 Å²	59	129.4 Å²	129.4	41%	0.413	71%	0.71	S	S	.	*			trans	58.5	145.2	160.5	65.4	0	0	0	0	119
1847	Y	28.4	Very low	27	Very low	194 Å²	194	125.4 Å²	125.4	76%	0.761	69%	0.69	S	S	*	*			cis	179.7	172.4	-2.5	-100.6	174.9	0	0	0	106
1848	T	29.1	Very low	27	Very low	120 Å²	120	125.2 Å²	125.2	74%	0.736	68%	0.678	S	S	*	*			cis	-179.2	156.9	-26.8	36	0	0	0	0	105.2
1849	H	27.3	Very low	27.1	Very low	124 Å²	124	122.7 Å²	122.7	57%	0.574	67%	0.668	S	S	*	*			cis	-177.9	163.6	-13.5	170.1	-118.3	0	0	0	106.7
1850	W	23.8	Very low	27.2	Very low	236 Å²	236	123.3 Å²	123.3	89%	0.894	67%	0.67	S	S	*	*				156.9	79.1	127.6	-88.7	83.9	0	0	0	113
1851	S	23.2	Very low	27.2	Very low	105 Å²	105	126.5 Å²	126.5	73%	0.734	68%	0.675	S	S	*	*	S	Bend	trans	-164.7	150.5	155.5	55.3	0	0	0	0	108.9
1852	S	23.9	Very low	27.3	Very low	106 Å²	106	132.7 Å²	132.7	74%	0.741	68%	0.682	S	S	*	*			trans	-31.8	145.6	-162.3	-60.6	0	0	0	0	121.3
1853	S	24.2	Very low	26.8	Very low	85 Å²	85	131.3 Å²	131.3	59%	0.594	68%	0.68	S	S	*	*			cis	85.3	149.9	14.1	92.4	0	0	0	0	116.6
1854	D	25.5	Very low	26.8	Very low	149 Å²	149	132 Å²	132	80%	0.797	68%	0.684	S	S	*	*			cis	-126.8	-100.3	11.2	-78.8	-82.4	0	0	0	115.3
1855	F	28.8	Very low	26.6	Very low	199 Å²	199	130.7 Å²	130.7	87%	0.873	68%	0.681	S	S	*	*			trans	-172.6	161.1	177.9	-118.2	-78	0	0	0	109.5
1856	D	25.9	Very low	26.7	Very low	92 Å²	92	132.2 Å²	132.2	49%	0.492	69%	0.686	S	S	.	*			trans	-107.3	-166.5	-143.9	-57.8	-70.6	0	0	0	117.5
1857	N	30.3	Very low	26.5	Very low	66 Å²	66	136 Å²	136	35%	0.353	70%	0.701	S	S	.	*				155.7	94.8	129.6	-80.4	31.1	0	0	0	118.7	D1153 D1154	D1153-N1857 HydrophobicContact CB-CB 4.21Å; D1153-N1857 WeakPolarHBondContact OD1-CB 3.11Å; D1154-N1857 PolarHBondContact OD1-ND2 3.01Å; D1154-N1857 PolarHBondContact OD1-OD1 3.2Å; D1154-N1857 PolarHBondContact OD2-ND2 3.33Å
1858	K	30.9	Very low	26.4	Very low	103 Å²	103	133.3 Å²	133.3	45%	0.448	70%	0.699	S	S	.	*			trans	47.9	160.1	164.3	-134.1	150.8	-108.5	103.9	0	124.6	D1153 D1154 E1155	D1153-K1858 WeakPolarHBondContact O-CB 3.47Å; D1153-K1858 WeakPolarHBondContact O-CD 3.44Å; D1154-K1858 VanDerWaalsContact C-CA 3.48Å; D1154-K1858 VanDerWaalsContact C-NZ 3.26Å; D1154-K1858 VanDerWaalsContact CA-N 3.31Å; D1154-K1858 VanDerWaalsContact N-CB 3.28Å; D1154-K1858 WeakPolarHBondContact O-CA 3.26Å; D1154-K1858 WeakPolarHBondContact O-CB 3.28Å; D1154-K1858 WeakPolarHBondContact O-CD 3.49Å; D1154-K1858 WeakPolarHBondContact O-CE 3.45Å; D1154-K1858 WeakPolarHBondContact O-CG 3.29Å; D1154-K1858 PolarHBondContact O-N 2.63Å; D1154-K1858 PolarHBondContact O-NZ 3.44Å; E1155-K1858 IonicContact OE2-NZ 2.69Å; E1155-K1858 PolarHBondContact OE2-NZ 2.78Å
1859	T	28.3	Very low	26.1	Very low	78 Å²	78	134 Å²	134	48%	0.479	70%	0.699	S	S	.	*			trans	-70.4	-177.1	152.6	76.4	0	0	0	0	113
1860	H	29.6	Very low	26.5	Very low	164 Å²	164	133 Å²	133	76%	0.759	70%	0.703	S	S	*	*			cis	-150.5	149.1	3.1	-102	-38.7	0	0	0	105.6
1861	R	27.7	Very low	26.4	Very low	226 Å²	226	127.4 Å²	127.4	85%	0.853	70%	0.695	S	S	*	*				-174.5	141.8	59.2	-134.8	174	-154.5	-175.2	7.5	110.9
1862	R	26	Very low	26.4	Very low	238 Å²	238	128.2 Å²	128.2	90%	0.898	70%	0.695	S	S	*	*			trans	15.1	149.4	146.8	-66.6	-178.3	176.5	171.3	-1.4	121.7
1863	A	24.5	Very low	26.4	Very low	81 Å²	81	130 Å²	130	67%	0.669	70%	0.696	S	S	*	*			cis	-179.7	173	-11.2	0	0	0	0	0	111.7
1864	S	23.6	Very low	26.4	Very low	119 Å²	119	132.7 Å²	132.7	83%	0.832	70%	0.703	S	S	*	*			trans	78.5	150.6	155.7	-56.3	0	0	0	0	117.6
1865	S	24.4	Very low	26.3	Very low	107 Å²	107	135.8 Å²	135.8	75%	0.748	71%	0.705	S	S	*	*			cis	-156.9	-177.6	13.3	46.5	0	0	0	0	113.6
1866	V	28	Very low	25.9	Very low	126 Å²	126	133.5 Å²	133.5	76%	0.764	70%	0.701	S	S	*	*			trans	81.3	108.8	167.7	-167.4	0	0	0	0	115.5
1867	I	23.7	Very low	25.8	Very low	139 Å²	139	136 Å²	136	71%	0.713	71%	0.713	S	S	*	*			cis	90.2	124	31.2	-57.9	179.1	0	0	0	114.8
1868	D	25.8	Very low	25.5	Very low	137 Å²	137	138.5 Å²	138.5	73%	0.733	73%	0.733	S	S	*	*			trans	65.2	146.1	166.8	-67.6	-5.9	0	0	0	118.9
1869	N	23.4	Very low	25.4	Very low	135 Å²	135	139.1 Å²	139.1	72%	0.722	75%	0.748	S	S	*	*			cis	-151.9	-164.2	7.2	-133.9	-33.1	0	0	0	111.2
1870	P	35.1	Very low	25.2	Very low	103 Å²	103	142.7 Å²	142.7	67%	0.669	76%	0.764	S	S	*	*				-118.7	-172.9	-101.6	31.3	-9.2	0	0	0	118
1871	V	21.8	Very low	24.9	Very low	118 Å²	118	145.6 Å²	145.6	72%	0.715	77%	0.768	S	S	*	*			trans	111.3	118.6	147.5	-167.7	0	0	0	0	120.7
1872	T	23.7	Very low	24.8	Very low	121 Å²	121	140.3 Å²	140.3	74%	0.742	76%	0.757	S	S	*	*			trans	81.9	134.1	154.1	46.4	0	0	0	0	126
1873	L	22.5	Very low	24.7	Very low	144 Å²	144	135.4 Å²	135.4	75%	0.754	75%	0.747	S	S	*	*			trans	69.2	105	143.9	-75.2	164.2	0	0	0	121.1
1874	N	25.2	Very low	24.7	Very low	142 Å²	142	135.8 Å²	135.8	76%	0.759	74%	0.744	S	S	*	*				-174.8	178.3	95.5	-104.2	-61.2	0	0	0	116.1
1875	Y	22.8	Very low	24.7	Very low	214 Å²	214	136.1 Å²	136.1	84%	0.839	73%	0.732	S	S	*	*			trans	-53.3	166.3	177.4	-83.8	-104.2	0	0	0	117.5
1876	L	21.6	Very low	24.9	Very low	150 Å²	150	139.1 Å²	139.1	79%	0.785	74%	0.738	S	S	*	*			trans	98.3	133.9	166.7	-67.1	157.7	0	0	0	117
1877	I	24.1	Very low	24.7	Very low	144 Å²	144	137.1 Å²	137.1	74%	0.738	73%	0.73	S	S	*	*			trans	11.1	120.5	150.5	-49.3	166.9	0	0	0	116.8
1878	P	24.1	Very low	24.8	Very low	120 Å²	120	136.8 Å²	136.8	78%	0.779	72%	0.723	S	S	*	*			trans	-111.5	139.6	135.1	-6.3	26.1	0	0	0	111.6
1879	P	26.8	Very low	24.7	Very low	115 Å²	115	136.5 Å²	136.5	75%	0.747	72%	0.717	S	S	*	*			trans	-82.4	179.8	170.7	36.3	-35.8	0	0	0	112.1
1880	N	24.1	Very low	25	Very low	153 Å²	153	136.6 Å²	136.6	82%	0.818	72%	0.718	S	S	*	*			trans	-59.7	166.6	167.4	-79.1	-29.8	0	0	0	112.8
1881	R	25.1	Very low	24.8	Very low	225 Å²	225	137.4 Å²	137.4	85%	0.849	72%	0.715	S	S	*	*			trans	78.8	133.4	162.9	-68.7	-145.2	158.4	140.7	4.1	116.9
1882	D	24.8	Very low	25	Very low	116 Å²	116	140.4 Å²	140.4	62%	0.62	71%	0.714	S	S	*	*			cis	-170.7	-177.9	-12.3	-130.7	-35	0	0	0	111
1883	I	24.6	Very low	25.2	Very low	135 Å²	135	144.1 Å²	144.1	69%	0.692	71%	0.714	S	S	*	*			trans	75.1	102.9	142.9	-78	164.3	0	0	0	118.9
1884	C	23.6	Very low	25.4	Very low	88 Å²	88	142.8 Å²	142.8	60%	0.595	70%	0.704	S	S	*	*				81	117.3	123.6	-66.7	0	0	0	0	119.7
1885	E	23.6	Very low	25.6	Very low	127 Å²	127	142.7 Å²	142.7	59%	0.593	69%	0.693	S	S	*	*				85.7	120.1	82.1	-72.9	-174.5	99.4	0	0	112.9	K1888	E1885-K1888 IonicContact OE1-NZ 3.62Å; E1885-K1888 PolarHBondContact OE1-NZ 3.19Å; E1885-K1888 IonicContact OE2-NZ 2.84Å
1886	I	28	Very low	25.9	Very low	169 Å²	169	136.4 Å²	136.4	87%	0.867	67%	0.671	S	S	*	*				-166.4	135.6	128.5	-100.4	150.6	0	0	0	106.9
1887	S	24.4	Very low	26	Very low	85 Å²	85	131.4 Å²	131.4	59%	0.594	65%	0.649	S	S	*	*			cis	-156	157.8	-20.4	65.8	0	0	0	0	108.3
1888	K	25.5	Very low	26	Very low	132 Å²	132	129.4 Å²	129.4	57%	0.574	64%	0.643	S	S	*	*				33.2	126	94.7	-40.6	-172.4	168.1	89.3	0	113.6	E1885	E1885-K1888 IonicContact OE1-NZ 3.62Å; E1885-K1888 PolarHBondContact OE1-NZ 3.19Å; E1885-K1888 IonicContact OE2-NZ 2.84Å
1889	E	24.3	Very low	25.9	Very low	131 Å²	131	128.1 Å²	128.1	61%	0.612	64%	0.636	S	S	*	*			cis	-165.6	171.4	-4.9	-149.2	152.7	113.7	0	0	109.3
1890	N	28.6	Very low	25.7	Very low	137 Å²	137	130.9 Å²	130.9	73%	0.733	64%	0.639	S	S	*	*				-174.4	122.8	118.9	-94.9	-28.4	0	0	0	113.5
1891	I	31.2	Very low	25.5	Very low	120 Å²	120	131.5 Å²	131.5	62%	0.615	64%	0.64	S	S	*	*				65.9	138.9	121.4	-65.6	173	0	0	0	119.6
1892	R	26.3	Very low	25.5	Very low	180 Å²	180	126.5 Å²	126.5	68%	0.679	63%	0.634	S	S	*	*			cis	177.7	148.7	-30.7	-122.7	174.8	-175.4	165.3	0.9	109.9
1893	R	28.8	Very low	25.4	Very low	200 Å²	200	129.2 Å²	129.2	76%	0.755	64%	0.642	S	S	*	*			trans	79.8	163.1	158.6	-58.2	151.7	177.6	158	-4.3	119.2
1894	H	27	Very low	25.3	Very low	116 Å²	116	128.2 Å²	128.2	54%	0.537	64%	0.639	S	S	.	*			cis	138.2	121.6	-33.2	-78.2	1.7	0	0	0	116.9	L1183	L1183-H1894 HydrophobicContact CB-CB 3.52Å; L1183-H1894 HydrophobicContact CD2-CB 3.97Å; L1183-H1894 HydrophobicContact CG-CB 4.38Å; L1183-H1894 PolarHBondContact O-CE1 2.64Å; L1183-H1894 VanDerWaalsContact O-CE1 3.32Å; L1183-H1894 PolarHBondContact O-ND1 2.58Å
1895	R	28.3	Very low	25.4	Very low	139 Å²	139	131.5 Å²	131.5	53%	0.525	64%	0.643	S	S	.	*			trans	-160.7	-77.9	155.8	-162.8	-81.9	83.7	71	5.2	112.8	L1183 T1184 E1185	L1183-R1895 WeakPolarHBondContact CA-O 3.31Å; L1183-R1895 WeakPolarHBondContact CG-O 3.38Å; T1184-R1895 CarbonylContact O-C 2.94Å; T1184-R1895 VanDerWaalsContact O-C 3.26Å; T1184-R1895 WeakPolarHBondContact O-CA 3.47Å; T1184-R1895 VanDerWaalsContact O-CB 3.26Å; T1184-R1895 WeakPolarHBondContact O-CB 3.25Å; T1184-R1895 PolarHBondContact O-N 2.72Å; E1185-R1895 WeakPolarHBondContact O-CB 3.1Å
1896	H	28.1	Very low	25.5	Very low	83 Å²	83	132.2 Å²	132.2	38%	0.384	64%	0.644	S	S	.	*			trans	44.7	179.9	174.5	-158.7	71.7	0	0	0	119.4	T1184 E1185	T1184-H1896 VanDerWaalsContact N-CB 3.26Å; T1184-H1896 PolarHBondContact O-N 3.34Å; T1184-H1896 WeakPolarHBondContact OG1-CB 3.34Å; T1184-H1896 PolarHBondContact OG1-ND1 3.37Å; E1185-H1896 IonicContact OE1-ND1 3.04Å
1897	S	24.9	Very low	25.4	Very low	45 Å²	45	128.8 Å²	128.8	32%	0.315	63%	0.627	S	S	.	*			trans	65.2	162.6	-178.3	-67.4	0	0	0	0	113.7
1898	V	23.8	Very low	25.4	Very low	102 Å²	102	132.6 Å²	132.6	62%	0.618	63%	0.633	S	S	*	*			cis	-142.1	169.9	34.7	175.5	0	0	0	0	111.7	I1181	I1181-V1898 HydrophobicContact CG2-CG2 4.47Å
1899	S	22	Very low	25.3	Very low	92 Å²	92	133.9 Å²	133.9	64%	0.643	64%	0.639	S	S	*	*			trans	-33.5	169.2	156.3	-36.5	0	0	0	0	115.1
1900	E	22.3	Very low	25.3	Very low	173 Å²	173	136.4 Å²	136.4	81%	0.808	65%	0.648	S	S	*	*			cis	-168.3	-177	30.6	-156	164.9	-164.5	0	0	111.8
1901	M	20.6	Very low	25.1	Very low	167 Å²	167	134.1 Å²	134.1	82%	0.823	64%	0.636	S	S	*	*			trans	76.2	167	160.2	-62.6	-179.4	68	0	0	120
1902	V	24.9	Very low	24.7	Very low	119 Å²	119	137.1 Å²	137.1	72%	0.721	64%	0.641	S	S	*	*			trans	78.3	84.1	170.3	-164.1	0	0	0	0	117.1
1903	E	23.3	Very low	24.5	Very low	173 Å²	173	134.5 Å²	134.5	81%	0.808	64%	0.637	S	S	*	*				33.9	126.6	114.8	-64.1	-175.7	134	0	0	120.5
1904	D	22.3	Very low	24.2	Very low	114 Å²	114	132.8 Å²	132.8	61%	0.61	64%	0.635	S	S	*	*				51.4	106.2	119.8	-137.5	44	0	0	0	116.6
1905	K	25.3	Very low	24	Very low	157 Å²	157	131.3 Å²	131.3	68%	0.683	64%	0.636	S	S	*	*				-168.5	134.2	66.8	-87.6	171.9	177.5	60.9	0	114.6
1906	K	25.5	Very low	23.7	Very low	143 Å²	143	128.8 Å²	128.8	62%	0.622	64%	0.64	S	S	*	*				65.7	143.1	124.1	-60	-169.9	146.5	-67.1	0	120.9
1907	D	27	Very low	23.4	Very low	96 Å²	96	129.7 Å²	129.7	51%	0.513	66%	0.656	S	S	.	*			cis	-157	134.1	-4.3	-104.1	-19.9	0	0	0	111.1
1908	F	23.6	Very low	23.3	Very low	165 Å²	165	131.2 Å²	131.2	72%	0.724	67%	0.671	S	S	*	*			trans	58.4	141.1	135.2	-72.7	-138.2	0	0	0	120.4
1909	K	24	Very low	23.6	Very low	159 Å²	159	128.4 Å²	128.4	69%	0.691	66%	0.663	S	S	*	*			cis	-163.7	136.6	-4.3	-126.1	-174.1	-173.8	178.3	0	112.8
1910	F	24	Very low	23.6	Very low	185 Å²	185	127.5 Å²	127.5	81%	0.811	66%	0.657	S	S	*	*			trans	11.7	144.2	136.4	-75.8	-108.6	0	0	0	121.2
1911	N	23.1	Very low	23.8	Very low	88 Å²	88	122.1 Å²	122.1	47%	0.471	63%	0.633	S	S	.	*			cis	-168.9	158.3	-20.5	-146.8	-1.5	0	0	0	109.9	N1657	N1657-N1911 PolarHBondContact O-ND2 2.61Å
1912	Y	23.2	Very low	23.8	Very low	184 Å²	184	117.8 Å²	117.8	72%	0.722	62%	0.616	S	S	*	*			trans	-135.3	153.7	-170.1	-125.3	-82.2	0	0	0	116	Y1658	Y1658-Y1912 WeakPolarHBondContact CD2-O 3.28Å; Y1658-Y1912 WeakPolarHBondContact CE2-O 2.88Å
1913	E	23	Very low	23.8	Very low	125 Å²	125	117.2 Å²	117.2	58%	0.584	60%	0.604	S	S	*	*			trans	-49.4	155.1	-167.5	-59	174.4	121.3	0	0	121.4	Y1658	Y1658-E1913 VanDerWaalsContact CE1-C 3.46Å; Y1658-E1913 VanDerWaalsContact CE1-CA 3.47Å
1914	F	23.1	Very low	24	Very low	164 Å²	164	113.4 Å²	113.4	72%	0.719	59%	0.589	S	S	*	*			trans	51.5	153.2	138.2	-80.4	-121	0	0	0	120.2
1915	C	22	Very low	24	Very low	84 Å²	84	111.6 Å²	111.6	57%	0.568	58%	0.582	S	S	*	*			cis	-156.1	178	-6.9	-140.2	0	0	0	0	106.3
1916	S	21.4	Very low	23.8	Very low	86 Å²	86	108.6 Å²	108.6	60%	0.601	58%	0.581	S	S	*	*			cis	-168.1	170.6	20.5	-148.9	0	0	0	0	112.5
1917	S	21.4	Very low	23.7	Very low	102 Å²	102	104 Å²	104	71%	0.713	57%	0.567	S	S	*	*			trans	77.9	156.9	163	81.7	0	0	0	0	119.9
1918	A	24.3	Very low	23.4	Very low	77 Å²	77	101.6 Å²	101.6	64%	0.636	55%	0.553	S	S	*	*			trans	68.3	127.9	-176.9	0	0	0	0	0	117.2	T1662	T1662-A1918 WeakPolarHBondContact CG2-O 3.18Å
1919	G	29.5	Very low	23.3	Very low	43 Å²	43	96.4 Å²	96.4	44%	0.443	53%	0.53	S	S	.	.			trans	83.9	109.2	174.4	0	0	0	0	0	114.8
1920	S	22.3	Very low	23.3	Very low	74 Å²	74	91.2 Å²	91.2	52%	0.517	51%	0.508	S	S	.	.			cis	54.8	126.6	16.7	88.8	0	0	0	0	111.4	Q1664	Q1664-S1920 VanDerWaalsContact CA-O 3.25Å; Q1664-S1920 WeakPolarHBondContact CA-O 3.26Å; Q1664-S1920 PolarHBondContact N-O 3.02Å
1921	D	25.4	Very low	23.4	Very low	59 Å²	59	88.3 Å²	88.3	32%	0.316	50%	0.497	S	S	.	.			cis	-160.5	151.6	41.7	-74	-77.2	0	0	0	108.7	Y1665	Y1665-D1921 HydrophobicContact CD1-CB 3.93Å; Y1665-D1921 HydrophobicContact CD2-CB 3.18Å; Y1665-D1921 WeakPolarHBondContact CD2-OD2 3.34Å; Y1665-D1921 HydrophobicContact CE1-CB 4.17Å; Y1665-D1921 HydrophobicContact CE2-CB 3.4Å; Y1665-D1921 VanDerWaalsContact CE2-OD1 3.31Å; Y1665-D1921 WeakPolarHBondContact CE2-OD1 3.25Å; Y1665-D1921 HydrophobicContact CG-CB 3.44Å; Y1665-D1921 VanDerWaalsContact CG-CB 3.44Å
1922	V	22.2	Very low	23.7	Very low	77 Å²	77	87.9 Å²	87.9	47%	0.467	50%	0.499	S	S	.	.				50.2	122.9	101.5	-165.3	0	0	0	0	112.8	Y1665	Y1665-V1922 HydrophobicContact CD1-CB 4.01Å; Y1665-V1922 HydrophobicContact CD1-CG1 4.34Å; Y1665-V1922 WeakPolarHBondContact CD1-O 3.23Å; Y1665-V1922 HydrophobicContact CE1-CB 3.44Å; Y1665-V1922 VanDerWaalsContact CE1-CB 3.44Å; Y1665-V1922 HydrophobicContact CE1-CG1 3.48Å; Y1665-V1922 VanDerWaalsContact CE1-CG1 3.48Å; Y1665-V1922 HydrophobicContact CE1-CG2 4.32Å
1923	F	24.7	Very low	23.7	Very low	106 Å²	106	85 Å²	85	47%	0.465	50%	0.5	S	S	.	.				-115.5	149.8	53.1	-85.6	-108.2	0	0	0	115.2	Y1665 D1667	Y1665-F1923 AromaticContact CD1-CD2 3.69Å; Y1665-F1923 HydrophobicContact CD1-CD2 3.69Å; Y1665-F1923 AromaticContact CD1-CE2 3.32Å; Y1665-F1923 HydrophobicContact CD1-CE2 3.32Å; Y1665-F1923 HydrophobicContact CD1-CZ 4.33Å; Y1665-F1923 AromaticContact CE1-CD2 3.84Å; Y1665-F1923 HydrophobicContact CE1-CD2 3.84Å; Y1665-F1923 AromaticContact CE1-CE2 3.39Å; Y1665-F1923 HydrophobicContact CE1-CE2 3.39Å; Y1665-F1923 HydrophobicContact CE1-CZ 4.03Å; D1667-F1923 VanDerWaalsContact OD1-CE2 3.25Å; D1667-F1923 WeakPolarHBondContact OD1-CE2 3.25Å; D1667-F1923 VanDerWaalsContact OD1-CZ 3.23Å; D1667-F1923 WeakPolarHBondContact OD1-CZ 3.42Å; D1667-F1923 WeakPolarHBondContact OD2-CE2 3.23Å; D1667-F1923 VanDerWaalsContact OD2-CZ 3.25Å; D1667-F1923 WeakPolarHBondContact OD2-CZ 2.86Å
1924	N	27.2	Very low	23.7	Very low	93 Å²	93	84.8 Å²	84.8	50%	0.497	50%	0.502	S	S	.	.				56.7	119.9	72.6	-111.1	0.2	0	0	0	111.5
1925	V	21.5	Very low	23.7	Very low	76 Å²	76	80.6 Å²	80.6	46%	0.461	49%	0.488	S	S	.	.			cis	72.1	74.1	32.2	-163.6	0	0	0	0	113.9
1926	S	22	Very low	24.1	Very low	95 Å²	95	77.3 Å²	77.3	66%	0.664	47%	0.465	S	S	*	.			trans	-164.2	127.3	156.6	-81	0	0	0	0	106.2
1927	S	22	Very low	24.1	Very low	47 Å²	47	79 Å²	79	33%	0.329	47%	0.467	S	S	.	.				56.7	96.6	68.7	88.2	0	0	0	0	110.5	K647	K647-S1927 PolarHBondContact NZ-OG 3.44Å
1928	E	21.8	Very low	24.2	Very low	44 Å²	44	78.2 Å²	78.2	21%	0.206	46%	0.455	C	S	.	.				86.8	121.8	85.5	-87.9	164.3	-84.4	0	0	114.3	N555 D556	N555-E1928 VanDerWaalsContact CA-CD 3.42Å; N555-E1928 VanDerWaalsContact CA-OE2 3.25Å; N555-E1928 WeakPolarHBondContact CA-OE2 3.46Å; N555-E1928 HydrophobicContact CB-CG 4.22Å; N555-E1928 WeakPolarHBondContact CB-OE1 3.09Å; N555-E1928 PolarHBondContact ND2-OE1 3.3Å; D556-E1928 PolarHBondContact N-OE2 3.23Å; D556-E1928 WeakPolarHBondContact OD1-CG 3.41Å
1929	F	22	Very low	24.1	Very low	57 Å²	57	77 Å²	77	25%	0.25	44%	0.441	C	S	.	.			trans	71.3	132.4	134.4	-88.6	-142.9	0	0	0	121.1	D556 L558 T1776	D556-F1929 VanDerWaalsContact CA-CE2 3.45Å; D556-F1929 HydrophobicContact CB-CD2 4.16Å; D556-F1929 HydrophobicContact CB-CE2 3.36Å; D556-F1929 HydrophobicContact CB-CZ 3.76Å; D556-F1929 WeakPolarHBondContact O-CZ 3.35Å; D556-F1929 WeakPolarHBondContact OD1-CD2 3.43Å; D556-F1929 WeakPolarHBondContact OD1-CE2 3.12Å; L558-F1929 HydrophobicContact CD2-CD1 4.15Å; L558-F1929 HydrophobicContact CG-CD1 4.22Å; L558-F1929 HydrophobicContact CG-CE1 4.14Å; T1776-F1929 HydrophobicContact CG2-CB 4.19Å; T1776-F1929 HydrophobicContact CG2-CD1 3.68Å; T1776-F1929 HydrophobicContact CG2-CD2 3.55Å; T1776-F1929 HydrophobicContact CG2-CE1 3.79Å; T1776-F1929 HydrophobicContact CG2-CE2 3.64Å; T1776-F1929 HydrophobicContact CG2-CG 3.54Å; T1776-F1929 HydrophobicContact CG2-CZ 3.77Å; T1776-F1929 VanDerWaalsContact N-CE2 3.26Å
1930	H	22.3	Very low	24.1	Very low	50 Å²	50	78 Å²	78	23%	0.231	44%	0.44	C	S	.	.			trans	64.4	114.4	157.5	-70.1	-61.8	0	0	0	115.6	T1776 F1777	T1776-H1930 VanDerWaalsContact CG2-CE1 3.44Å; T1776-H1930 WeakPolarHBondContact CG2-CE1 3.23Å; F1777-H1930 AromaticContact CD2-CE1 3.76Å; F1777-H1930 AromaticContact CE1-CE1 3.79Å; F1777-H1930 AromaticContact CE2-CE1 3.47Å; F1777-H1930 VanDerWaalsContact CE2-CE1 3.47Å; F1777-H1930 WeakPolarHBondContact CE2-CE1 2.85Å; F1777-H1930 AromaticContact CE2-ND1 3.4Å; F1777-H1930 WeakPolarHBondContact CE2-ND1 3.26Å; F1777-H1930 AromaticContact CZ-CE1 3.49Å; F1777-H1930 VanDerWaalsContact CZ-CE1 3.49Å; F1777-H1930 WeakPolarHBondContact CZ-CE1 3.15Å; F1777-H1930 AromaticContact CZ-ND1 3.36Å; F1777-H1930 WeakPolarHBondContact CZ-ND1 3.23Å
1931	Q	26.5	Very low	24.3	Very low	123 Å²	123	79.1 Å²	79.1	58%	0.575	44%	0.44	S	S	*	.				47.4	151.8	60.1	-72.3	-156.2	23.9	0	0	113.8	I643 F1777	I643-Q1931 WeakPolarHBondContact CD1-O 3.35Å; F1777-Q1931 HydrophobicContact CE2-CB 4.2Å; F1777-Q1931 HydrophobicContact CE2-CG 4.39Å; F1777-Q1931 HydrophobicContact CZ-CB 4.26Å
1932	P	30.4	Very low	24.3	Very low	79 Å²	79	81 Å²	81	51%	0.513	45%	0.45	S	S	.	.			cis	-128.2	-158.8	6.3	33.2	-11.6	0	0	0	111.7
1933	T	22.3	Very low	24.4	Very low	123 Å²	123	85.8 Å²	85.8	76%	0.755	47%	0.467	S	S	*	.			trans	70.1	141.4	157.1	54.9	0	0	0	0	116.1
1934	I	23.5	Very low	24.4	Very low	121 Å²	121	85.6 Å²	85.6	62%	0.621	48%	0.479	S	S	*	.			cis	-156.3	147.6	13.1	-131.1	161.8	0	0	0	106.1
1935	N	24.1	Very low	24.2	Very low	77 Å²	77	87.1 Å²	87.1	41%	0.412	49%	0.492	S	S	.	.			cis	-177.9	-148.4	36.9	-147.9	-9	0	0	0	113	I1167 D1937	I1167-N1935 HydrophobicContact CD1-CB 3.73Å; I1167-N1935 VanDerWaalsContact CD1-N 3.34Å; I1167-N1935 WeakPolarHBondContact CG2-O 3.48Å; N1935-D1937 PolarHBondContact O-N 3.17Å
1936	V	28.6	Very low	24.4	Very low	15 Å²	15	92.4 Å²	92.4	9%	0.091	51%	0.511	C	S	.	.			trans	20.4	80.4	150.3	-167.2	0	0	0	0	119.1	L1166 I1167 F1480	L1166-V1936 HydrophobicContact CB-CB 3.93Å; L1166-V1936 HydrophobicContact CB-CG1 4.06Å; L1166-V1936 HydrophobicContact CB-CG2 4.29Å; L1166-V1936 HydrophobicContact CD1-CB 4.43Å; L1166-V1936 HydrophobicContact CD1-CG2 3.94Å; I1167-V1936 HydrophobicContact CB-CB 4.31Å; I1167-V1936 WeakPolarHBondContact CB-O 3.32Å; I1167-V1936 WeakPolarHBondContact CG2-O 3.19Å; F1480-V1936 HydrophobicContact CD2-CG2 4.16Å; F1480-V1936 HydrophobicContact CE1-CG2 4.04Å; F1480-V1936 HydrophobicContact CE2-CG2 3.25Å; F1480-V1936 HydrophobicContact CZ-CG2 3.18Å
1937	D	21.4	Very low	24.8	Very low	122 Å²	122	91.9 Å²	91.9	65%	0.652	51%	0.513	S	S	*	.				54.5	139.2	52.8	-162.5	17.1	0	0	0	115.4	N1935	N1935-D1937 PolarHBondContact O-N 3.17Å
1938	L	23.3	Very low	25	Very low	85 Å²	85	98 Å²	98	45%	0.445	54%	0.536	S	S	.	.			trans	69.8	141.1	174.7	-45.1	169.4	0	0	0	115.6	S1478 L1479	S1478-L1938 VanDerWaalsContact O-CB 3.25Å; S1478-L1938 WeakPolarHBondContact O-CB 3.43Å; S1478-L1938 WeakPolarHBondContact O-CD1 3.04Å; L1479-L1938 VanDerWaalsContact C-CD1 3.44Å
1939	S	23.3	Very low	25.4	Very low	50 Å²	50	101.9 Å²	101.9	35%	0.35	56%	0.558	S	S	.	*			cis	-169	173.1	1.8	-112.2	0	0	0	0	107	R1477	R1477-S1939 PolarHBondContact NH1-OG 3.32Å; R1477-S1939 WeakPolarHBondContact O-CB 3.17Å
1940	P	30.3	Very low	26	Very low	65 Å²	65	106 Å²	106	42%	0.422	58%	0.578	S	S	.	*			cis	-158.8	165.4	40	39.6	-14.9	0	0	0	121.3	Q1476 R1477	Q1476-P1940 HydrophobicContact CB-CB 4.02Å; Q1476-P1940 HydrophobicContact CB-CG 3.57Å; Q1476-P1940 HydrophobicContact CG-CB 3.83Å; Q1476-P1940 HydrophobicContact CG-CG 3.58Å; R1477-P1940 HydrophobicContact CG-CB 3.62Å
1941	N	26.4	Very low	26.5	Very low	97 Å²	97	109.7 Å²	109.7	52%	0.519	60%	0.599	S	S	.	*			trans	-78.2	178.6	163	-29.9	3	0	0	0	110.8	Q1476 R1477	Q1476-N1941 WeakPolarHBondContact CG-O 3.47Å; Q1476-N1941 PolarHBondContact NE2-O 3.45Å; R1477-N1941 VanDerWaalsContact CZ-N 3.27Å; R1477-N1941 PolarHBondContact NH1-OD1 3.31Å; R1477-N1941 PolarHBondContact NH2-ND2 3.44Å; R1477-N1941 PolarHBondContact NH2-OD1 2.83Å; R1477-N1941 VanDerWaalsContact NH2-OD1 3.07Å
1942	L	25.1	Very low	26.7	Very low	100 Å²	100	110.9 Å²	110.9	52%	0.524	61%	0.605	S	S	.	*			cis	-160.3	162.7	46.4	-91.7	98.5	0	0	0	112.2
1943	E	23.6	Very low	26.3	Very low	176 Å²	176	112.9 Å²	112.9	82%	0.822	61%	0.609	S	S	*	*			trans	67.3	154	150.8	-73.8	155.7	-176.9	0	0	118.3
1944	S	25.5	Very low	26.4	Very low	103 Å²	103	111.3 Å²	111.3	72%	0.72	60%	0.602	S	S	*	*			cis	-145	155.8	7.9	57.3	0	0	0	0	114.3
1945	T	22.7	Very low	26.5	Very low	125 Å²	125	110.7 Å²	110.7	77%	0.767	60%	0.599	S	S	*	*			trans	-5.5	147.8	152.4	57	0	0	0	0	119.9
1946	E	25.5	Very low	26.4	Very low	186 Å²	186	114.5 Å²	114.5	87%	0.869	61%	0.612	S	S	*	*				-163.7	179.2	60.9	-79.4	-168.3	126.7	0	0	114.2
1947	A	30.4	Very low	26.3	Very low	85 Å²	85	116.5 Å²	116.5	70%	0.702	63%	0.626	S	S	*	*			trans	69.4	111.8	163.9	0	0	0	0	0	118.3
1948	Q	26.7	Very low	26.4	Very low	174 Å²	174	117.1 Å²	117.1	81%	0.813	63%	0.628	S	S	*	*				76.8	129.1	71.7	-79.6	-174.4	-9.1	0	0	113.9
1949	L	30.5	Very low	26.4	Very low	127 Å²	127	117.7 Å²	117.7	67%	0.665	64%	0.639	S	S	*	*			cis	-139.4	-178.8	-8.4	-57.2	101.4	0	0	0	107.6
1950	H	33.7	Very low	26.5	Very low	143 Å²	143	120.5 Å²	120.5	66%	0.662	66%	0.659	S	S	*	*			cis	-153.4	149	18.1	-110.7	-78.7	0	0	0	110
1951	D	33.1	Very low	26.4	Very low	127 Å²	127	126 Å²	126	68%	0.679	68%	0.677	S	S	*	*			trans	40.3	153.9	137.6	-51.9	-0.4	0	0	0	123
1952	E	29.5	Very low	26.3	Very low	149 Å²	149	124.7 Å²	124.7	70%	0.696	67%	0.673	S	S	*	*			cis	-156.8	125.6	-26.7	-100.9	-162.5	140.9	0	0	105.1
1953	M	23.3	Very low	26.2	Very low	121 Å²	121	125 Å²	125	60%	0.596	67%	0.674	S	S	*	*				62.7	77.1	72.7	-71.2	-120.8	179.1	0	0	117.3	I1955 R2166	M1953-I1955 WeakPolarHBondContact O-CG1 3.17Å; M1953-R2166 HydrophobicContact CE-CG 4.25Å; M1953-R2166 PolarHBondContact SD-NE 2.84Å; M1953-R2166 VanDerWaalsContact SD-NE 3.38Å; M1953-R2166 PolarHBondContact SD-NH2 2.83Å
1954	S	23	Very low	26.2	Very low	89 Å²	89	119.6 Å²	119.6	62%	0.622	65%	0.652	S	S	*	*			trans	68.1	178.9	160.4	-57.1	0	0	0	0	114.5	R2166	S1954-R2166 PolarHBondContact OG-NH1 2.74Å; S1954-R2166 PolarHBondContact OG-NH2 3.33Å
1955	I	25.6	Very low	26.2	Very low	108 Å²	108	118.8 Å²	118.8	55%	0.554	64%	0.643	S	S	*	*				171.3	142.2	78.2	-87.4	-175.7	0	0	0	108.8	M1953	M1953-I1955 WeakPolarHBondContact O-CG1 3.17Å
1956	K	23.7	Very low	26.5	Very low	157 Å²	157	117.5 Å²	117.5	68%	0.683	64%	0.635	S	S	*	*			trans	67.3	159.2	159.4	-74.9	164.7	-155.7	157.4	0	120	I2152	K1956-I2152 VanDerWaalsContact O-O 3.1Å
1957	P	26.6	Very low	26.4	Very low	58 Å²	58	111.5 Å²	111.5	38%	0.377	61%	0.612	S	S	.	*			cis	-152.7	175.9	-37.6	43.9	-26.6	0	0	0	116.6	I2151	P1957-I2151 CarbonylContact C-O 3.34Å; P1957-I2151 WeakPolarHBondContact CA-O 3.45Å; P1957-I2151 WeakPolarHBondContact O-CG2 3.46Å
1958	L	22.4	Very low	26	Very low	134 Å²	134	112 Å²	112	70%	0.702	61%	0.607	S	S	*	*			trans	50	148.3	133.6	-71.3	163.1	0	0	0	123.2	I2151	L1958-I2151 PolarHBondContact N-O 3.32Å
1959	S	24	Very low	26.2	Very low	97 Å²	97	111.3 Å²	111.3	68%	0.678	61%	0.609	S	S	*	*			trans	68.9	159.3	153.7	74.3	0	0	0	0	117.9
1960	S	25.6	Very low	25.9	Very low	110 Å²	110	111.4 Å²	111.4	77%	0.769	61%	0.614	S	S	*	*			cis	-165.3	134.4	-29.1	46.9	0	0	0	0	111.3
1961	F	27	Very low	25.4	Very low	180 Å²	180	109.9 Å²	109.9	79%	0.789	61%	0.611	S	S	*	*			trans	-68.1	153.6	168.6	-89.7	-91.4	0	0	0	112.2
1962	P	25.6	Very low	25.1	Very low	69 Å²	69	110 Å²	110	45%	0.448	61%	0.609	S	S	.	*			cis	-150	-163.5	46.1	40.1	-17.9	0	0	0	116.9	I1977	P1962-I1977 HydrophobicContact CG-CB 4.01Å; P1962-I1977 HydrophobicContact CG-CG1 3.84Å; P1962-I1977 HydrophobicContact CG-CG2 3.81Å
1963	M	22.5	Very low	25	Very low	108 Å²	108	108.7 Å²	108.7	53%	0.532	61%	0.607	S	S	.	*			cis	179.6	-159.2	-46.6	-153.5	175.4	175	0	0	110.2	G1976 I1977	M1963-G1976 CarbonylContact O-C 3.22Å; M1963-G1976 VanDerWaalsContact O-C 3.22Å; M1963-G1976 VanDerWaalsContact O-CA 3.3Å; M1963-G1976 WeakPolarHBondContact O-CA 3.04Å; M1963-G1976 PolarHBondContact O-N 3.09Å; M1963-I1977 PolarHBondContact O-N 2.97Å
1964	V	23.3	Very low	25.2	Very low	61 Å²	61	108.6 Å²	108.6	37%	0.37	61%	0.609	S	S	.	*			trans	50.1	130.8	144.3	171.2	0	0	0	0	125.8	T1975 G1976 I1977	V1964-T1975 CarbonylContact O-C 3.6Å; V1964-T1975 VanDerWaalsContact O-O 3.09Å; V1964-G1976 CarbonylContact O-C 3.37Å; V1964-G1976 WeakPolarHBondContact O-CA 3.44Å; V1964-G1976 PolarHBondContact O-N 2.76Å; V1964-G1976 VanDerWaalsContact O-O 3.13Å; V1964-I1977 VanDerWaalsContact CB-C 3.49Å; V1964-I1977 VanDerWaalsContact CB-O 3.23Å; V1964-I1977 WeakPolarHBondContact CB-O 3.17Å; V1964-I1977 VanDerWaalsContact CG1-O 3.23Å; V1964-I1977 WeakPolarHBondContact CG1-O 3.39Å
1965	T	25.9	Very low	25.5	Very low	86 Å²	86	110 Å²	110	53%	0.528	61%	0.613	S	S	.	*			trans	87.3	67.1	157.2	53.7	0	0	0	0	124.8	N1974 T1975	T1965-N1974 CarbonylContact C-O 3.22Å; T1965-N1974 VanDerWaalsContact C-O 3.24Å; T1965-T1975 CarbonylContact C-O 2.79Å
1966	T	28	Very low	25.6	Very low	99 Å²	99	106.6 Å²	106.6	61%	0.607	61%	0.606	S	S	*	*				31.5	140	108.2	66.6	0	0	0	0	121.2	N1974	T1966-N1974 PolarHBondContact N-O 3.44Å; T1966-N1974 VanDerWaalsContact N-O 3.09Å
1967	P	23.9	Very low	25.7	Very low	60 Å²	60	104.9 Å²	104.9	39%	0.39	60%	0.602	S	S	.	*				-77.6	120.9	124.4	-24	34.9	0	0	0	112.1	M1972 N1973	P1967-M1972 WeakPolarHBondContact CB-O 3.49Å; P1967-M1972 WeakPolarHBondContact CD-O 3.08Å; P1967-M1972 WeakPolarHBondContact CG-O 3.45Å; P1967-N1973 WeakPolarHBondContact CD-O 3.21Å; P1967-N1973 WeakPolarHBondContact CG-O 3.1Å
1968	T	22.9	Very low	25.6	Very low	95 Å²	95	104.2 Å²	104.2	58%	0.583	61%	0.606	S	S	*	*			trans	24.9	127.3	130.3	54.5	0	0	0	0	120.2	V1970	T1968-V1970 CarbonylContact O-C 3.37Å; T1968-V1970 PolarHBondContact O-N 2.72Å
1969	N	29	Very low	25.8	Very low	160 Å²	160	104.6 Å²	104.6	86%	0.856	60%	0.604	S	S	*	*	S	Bend		21.3	96.2	121	-64.1	-23.7	0	0	0	115.8
1970	V	25.9	Very low	26	Very low	128 Å²	128	110.2 Å²	110.2	78%	0.776	61%	0.611	S	S	*	*	S	Bend	trans	65.5	104.8	-170.7	-171.9	0	0	0	0	111.8	T1968	T1968-V1970 CarbonylContact O-C 3.37Å; T1968-V1970 PolarHBondContact O-N 2.72Å
1971	N	23.4	Very low	25.9	Very low	111 Å²	111	111.6 Å²	111.6	59%	0.594	61%	0.609	S	S	*	*	S	Bend	trans	78.5	121.4	172.1	-58.8	-27.2	0	0	0	119.2
1972	M	25.3	Very low	25.7	Very low	131 Å²	131	109.3 Å²	109.3	65%	0.645	60%	0.599	S	S	*	*			trans	74.7	125.7	134.6	-62.2	166.2	-170.8	0	0	122	P1967	P1967-M1972 WeakPolarHBondContact CB-O 3.49Å; P1967-M1972 WeakPolarHBondContact CD-O 3.08Å; P1967-M1972 WeakPolarHBondContact CG-O 3.45Å
1973	N	28.9	Very low	25.7	Very low	120 Å²	120	109.9 Å²	109.9	64%	0.642	60%	0.595	S	S	*	*			trans	65.3	103.6	133.5	-47.7	-2.1	0	0	0	124.8	P1967	P1967-N1973 WeakPolarHBondContact CD-O 3.21Å; P1967-N1973 WeakPolarHBondContact CG-O 3.1Å
1974	N	26.7	Very low	25.7	Very low	119 Å²	119	108 Å²	108	64%	0.636	58%	0.583	S	S	*	*			trans	100	128.4	142.2	-53	-8	0	0	0	125.2	T1965 T1966	T1965-N1974 CarbonylContact C-O 3.22Å; T1965-N1974 VanDerWaalsContact C-O 3.24Å; T1966-N1974 PolarHBondContact N-O 3.44Å; T1966-N1974 VanDerWaalsContact N-O 3.09Å
1975	T	29.6	Very low	25.8	Very low	118 Å²	118	110.6 Å²	110.6	72%	0.724	59%	0.594	S	S	*	*			trans	61.2	144.7	133.5	58.2	0	0	0	0	129.7	V1964 T1965	V1964-T1975 CarbonylContact O-C 3.6Å; V1964-T1975 VanDerWaalsContact O-O 3.09Å; T1965-T1975 CarbonylContact C-O 2.79Å
1976	G	26.9	Very low	25.7	Very low	38 Å²	38	111.3 Å²	111.3	39%	0.392	59%	0.591	S	S	.	*			trans	120.4	65.9	158.5	0	0	0	0	0	128.5	M1963 V1964	M1963-G1976 CarbonylContact O-C 3.22Å; M1963-G1976 VanDerWaalsContact O-C 3.22Å; M1963-G1976 VanDerWaalsContact O-CA 3.3Å; M1963-G1976 WeakPolarHBondContact O-CA 3.04Å; M1963-G1976 PolarHBondContact O-N 3.09Å; V1964-G1976 CarbonylContact O-C 3.37Å; V1964-G1976 WeakPolarHBondContact O-CA 3.44Å; V1964-G1976 PolarHBondContact O-N 2.76Å; V1964-G1976 VanDerWaalsContact O-O 3.13Å
1977	I	25.4	Very low	26	Very low	120 Å²	120	110.9 Å²	110.9	62%	0.615	59%	0.59	S	S	*	*			trans	76.1	130	154.6	-59.8	122.9	0	0	0	124	P1962 M1963 V1964	P1962-I1977 HydrophobicContact CG-CB 4.01Å; P1962-I1977 HydrophobicContact CG-CG1 3.84Å; P1962-I1977 HydrophobicContact CG-CG2 3.81Å; M1963-I1977 PolarHBondContact O-N 2.97Å; V1964-I1977 VanDerWaalsContact CB-C 3.49Å; V1964-I1977 VanDerWaalsContact CB-O 3.23Å; V1964-I1977 WeakPolarHBondContact CB-O 3.17Å; V1964-I1977 VanDerWaalsContact CG1-O 3.23Å; V1964-I1977 WeakPolarHBondContact CG1-O 3.39Å
1978	G	26.3	Very low	26	Very low	44 Å²	44	116.3 Å²	116.3	45%	0.454	61%	0.61	S	S	.	*			trans	-178.5	-1.4	175.4	0	0	0	0	0	128.7
1979	Q	26.4	Very low	26.1	Very low	142 Å²	142	122.4 Å²	122.4	66%	0.664	62%	0.622	S	S	*	*			trans	61.8	133.3	167.7	-68.2	-165.3	15.7	0	0	125.2
1980	R	27.1	Very low	26.4	Very low	216 Å²	216	119.6 Å²	119.6	82%	0.815	61%	0.613	S	S	*	*			trans	69.2	98.4	139.1	-69.2	179.7	179.9	-172.5	1.6	124.7
1981	L	24	Very low	26.3	Very low	138 Å²	138	120 Å²	120	72%	0.723	61%	0.61	S	S	*	*				34.5	125.6	118.8	-73.4	171.2	0	0	0	124
1982	F	23.5	Very low	26.3	Very low	132 Å²	132	124.3 Å²	124.3	58%	0.579	62%	0.62	S	S	*	*			trans	59.8	120.3	132.8	-93	-117.1	0	0	0	123.3
1983	E	24.2	Very low	26.1	Very low	81 Å²	81	124.4 Å²	124.4	38%	0.379	62%	0.622	S	S	.	*				39.7	129.5	113	-93.8	-172.3	-136.1	0	0	119.8	K1794	K1794-E1983 WeakPolarHBondContact CE-OE1 3.39Å; K1794-E1983 IonicContact NZ-OE1 3.4Å; K1794-E1983 PolarHBondContact NZ-OE1 3.23Å
1984	R	23.4	Very low	25.9	Very low	70 Å²	70	126 Å²	126	26%	0.264	63%	0.625	S	S	.	*			cis	-160.1	163.1	11	-69.3	166.3	-178.2	-156.8	-9.3	109.9	N1796	N1796-R1984 HydrophobicContact CB-CB 3.9Å; N1796-R1984 HydrophobicContact CB-CG 4.39Å; N1796-R1984 WeakPolarHBondContact ND2-CD 3.14Å; N1796-R1984 WeakPolarHBondContact OD1-CD 2.83Å; N1796-R1984 PolarHBondContact OD1-NH1 2.78Å
1985	L	25.5	Very low	25.7	Very low	115 Å²	115	126.5 Å²	126.5	60%	0.602	63%	0.627	S	S	*	*			trans	-147.4	168.4	146.2	-61.4	-179.4	0	0	0	111	S1795 N1796 E1797	S1795-L1985 CarbonylContact O-C 3.07Å; S1795-L1985 PolarHBondContact OG-O 3.24Å; N1796-L1985 CarbonylContact O-C 3.1Å; N1796-L1985 VanDerWaalsContact O-CA 3.28Å; N1796-L1985 WeakPolarHBondContact O-CA 3.3Å; E1797-L1985 VanDerWaalsContact CD-CD2 3.42Å; E1797-L1985 HydrophobicContact CG-CB 4.44Å; E1797-L1985 HydrophobicContact CG-CD2 3.64Å
1986	H	22.4	Very low	25.6	Very low	100 Å²	100	128.2 Å²	128.2	46%	0.463	63%	0.631	S	S	.	*			trans	-100.7	-154.2	179.1	-112.2	-24.6	0	0	0	108.4	S1795 N1796 E1797	S1795-H1986 VanDerWaalsContact C-CE1 3.48Å; S1795-H1986 VanDerWaalsContact C-CG 3.5Å; S1795-H1986 VanDerWaalsContact C-ND1 3.29Å; S1795-H1986 WeakPolarHBondContact O-CA 3.13Å; S1795-H1986 VanDerWaalsContact O-CB 3.27Å; S1795-H1986 WeakPolarHBondContact O-CB 3.46Å; S1795-H1986 PolarHBondContact O-N 2.8Å; S1795-H1986 PolarHBondContact O-ND1 2.64Å; N1796-H1986 VanDerWaalsContact C-CB 3.46Å; N1796-H1986 VanDerWaalsContact C-CG 3.48Å; N1796-H1986 WeakPolarHBondContact O-CB 3.25Å; N1796-H1986 PolarHBondContact O-N 2.72Å; E1797-H1986 HydrophobicContact CB-CB 4.02Å; E1797-H1986 PolarHBondContact N-CD2 2.75Å
1987	P	35.3	Very low	25.4	Very low	91 Å²	91	133.7 Å²	133.7	59%	0.591	65%	0.646	S	S	*	*				-113.1	-167.4	-71.2	36.7	-22.7	0	0	0	109.4
1988	E	24.9	Very low	25.4	Very low	173 Å²	173	135.5 Å²	135.5	81%	0.808	65%	0.652	S	S	*	*				178.1	165.9	118.5	-97.5	-68	90.7	0	0	111.4
1989	R	23.8	Very low	25.3	Very low	224 Å²	224	138.7 Å²	138.7	85%	0.845	67%	0.667	S	S	*	*			trans	-105.5	-174.7	173.6	-96.4	179	178.7	-176.8	0.7	108.6
1990	P	34.5	Very low	25.3	Very low	101 Å²	101	136 Å²	136	66%	0.656	68%	0.677	S	S	*	*			cis	-133.7	-177.9	-32.7	33.3	-14.4	0	0	0	113.2
1991	N	24.8	Very low	25.3	Very low	136 Å²	136	129 Å²	129	73%	0.727	67%	0.672	S	S	*	*			trans	56.4	137.1	138.6	-73.7	-5.1	0	0	0	124.4
1992	Y	22.9	Very low	25.3	Very low	201 Å²	201	128 Å²	128	79%	0.788	68%	0.677	S	S	*	*			trans	85.1	128.4	139.5	-84.2	-54	0	0	0	122.6
1993	L	21.3	Very low	25.4	Very low	134 Å²	134	126.6 Å²	126.6	70%	0.702	68%	0.684	S	S	*	*			trans	65.1	102.5	139.7	-88.2	157.1	0	0	0	120.2
1994	H	24.8	Very low	25.7	Very low	153 Å²	153	128.5 Å²	128.5	71%	0.708	70%	0.696	S	S	*	*				-177.1	125.1	106	-112.7	-108.5	0	0	0	115
1995	I	23.1	Very low	25.9	Very low	130 Å²	130	134.5 Å²	134.5	67%	0.667	72%	0.719	S	S	*	*			trans	48.2	152.4	131.1	-52.9	-171.5	0	0	0	121.9
1996	L	27.1	Very low	25.8	Very low	154 Å²	154	140.2 Å²	140.2	81%	0.806	73%	0.732	S	S	*	*			trans	81.6	121.7	-179.7	-51.7	-179.7	0	0	0	113.8
1997	Q	22.6	Very low	25.9	Very low	152 Å²	152	143.5 Å²	143.5	71%	0.71	75%	0.753	S	S	*	*			cis	69.4	115	6.3	-126.1	-162.5	9.2	0	0	117.5
1998	H	25.6	Very low	25.3	Very low	159 Å²	159	144.4 Å²	144.4	74%	0.736	76%	0.761	S	S	*	*			trans	61.5	149.8	165.7	-63.6	-68.8	0	0	0	119
1999	S	24.9	Very low	25.7	Very low	111 Å²	111	141 Å²	141	78%	0.776	75%	0.754	S	S	*	*			cis	-174.2	152.2	-22.4	53.4	0	0	0	0	111.5
2000	G	24.8	Very low	25.6	Very low	84 Å²	84	137.2 Å²	137.2	87%	0.866	75%	0.75	S	S	*	*			trans	127.9	142.3	164.3	0	0	0	0	0	113.4
2001	G	26.9	Very low	25.2	Very low	70 Å²	70	142 Å²	142	72%	0.722	76%	0.761	S	S	*	*			cis	-131	164.5	-5.4	0	0	0	0	0	110.9
2002	S	25.6	Very low	25.2	Very low	116 Å²	116	142 Å²	142	81%	0.811	76%	0.761	S	S	*	*				63.4	131.2	75.4	177.7	0	0	0	0	114.3
2003	S	24.2	Very low	25.2	Very low	104 Å²	104	138.6 Å²	138.6	73%	0.727	75%	0.746	S	S	*	*			cis	-172	137.8	-13.5	-74.8	0	0	0	0	108.2
2004	D	30.3	Very low	25.3	Very low	121 Å²	121	135.7 Å²	135.7	65%	0.647	74%	0.737	S	S	*	*			trans	-169.6	156.3	136.9	-129.4	-30.6	0	0	0	115
2005	R	29.1	Very low	25.5	Very low	196 Å²	196	134.3 Å²	134.3	74%	0.74	74%	0.742	S	S	*	*			trans	22.2	107.8	161.4	-68.8	150.8	-129.1	-142.7	10	118.6
2006	R	22.6	Very low	25.7	Very low	234 Å²	234	138.4 Å²	138.4	88%	0.883	75%	0.749	S	S	*	*				51.6	127.2	73.9	-56.8	-173.4	-177.1	-160.3	0.2	112.6
2007	L	25.4	Very low	25.5	Very low	170 Å²	170	137.8 Å²	137.8	89%	0.89	74%	0.74	S	S	*	*			cis	-141.6	168.6	31.2	-69	162	0	0	0	113.7
2008	S	22.5	Very low	25.5	Very low	110 Å²	110	139 Å²	139	77%	0.769	74%	0.743	S	S	*	*			trans	-94.7	177.8	165.6	55.5	0	0	0	0	111.1
2009	P	33.4	Very low	25.6	Very low	100 Å²	100	138.5 Å²	138.5	65%	0.649	74%	0.744	S	S	*	*			cis	-136.4	-165.2	10.2	44.7	-25.9	0	0	0	116
2010	D	21.4	Very low	25.5	Very low	145 Å²	145	142.6 Å²	142.6	78%	0.775	74%	0.744	S	S	*	*			trans	54.2	89.7	156.5	-60.1	-31.8	0	0	0	120
2011	F	27	Very low	25.4	Very low	201 Å²	201	146 Å²	146	88%	0.882	74%	0.737	S	S	*	*			trans	-145.5	124.7	151.3	-132.5	-93.8	0	0	0	114.8
2012	L	23.4	Very low	25.4	Very low	138 Å²	138	151 Å²	151	72%	0.723	74%	0.741	S	S	*	*			trans	-28.4	124.7	155.7	-63.1	158.8	0	0	0	112.9
2013	R	23.9	Very low	25.6	Very low	128 Å²	128	153.8 Å²	153.8	48%	0.483	73%	0.734	S	S	.	*				172	142.8	81.5	-107.8	168.8	-149.9	-177.3	15.6	106.7	K2017	R2013-K2017 WeakPolarHBondContact CD-O 3.47Å; R2013-K2017 PolarHBondContact NH1-O 2.89Å
2014	S	23.4	Very low	25.5	Very low	73 Å²	73	154 Å²	154	51%	0.51	73%	0.727	S	S	.	*			cis	57.5	99.8	48.2	178.7	0	0	0	0	114.7	R2016	S2014-R2016 CarbonylContact C-O 3.58Å; S2014-R2016 CarbonylContact O-C 3.59Å; S2014-R2016 PolarHBondContact O-N 2.78Å; S2014-R2016 WeakPolarHBondContact OG-CB 2.79Å; S2014-R2016 PolarHBondContact OG-N 2.82Å; S2014-R2016 PolarHBondContact OG-O 3.37Å
2015	P	29.4	Very low	25.4	Very low	124 Å²	124	152.9 Å²	152.9	81%	0.805	73%	0.726	S	S	*	*	S	Bend	trans	-72.2	0.4	165.9	27.5	-31.4	0	0	0	114.3	K2017	P2015-K2017 PolarHBondContact O-N 2.62Å
2016	R	25.9	Very low	25.5	Very low	216 Å²	216	149.9 Å²	149.9	82%	0.815	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	114	145.2	-86.6	-175.8	169.8	-177.7	-4.3	107.5	S2014	S2014-R2016 CarbonylContact C-O 3.58Å; S2014-R2016 CarbonylContact O-C 3.59Å; S2014-R2016 PolarHBondContact O-N 2.78Å; S2014-R2016 WeakPolarHBondContact OG-CB 2.79Å; S2014-R2016 PolarHBondContact OG-N 2.82Å; S2014-R2016 PolarHBondContact OG-O 3.37Å
2017	K	24.5	Very low	25.7	Very low	142 Å²	142	142.3 Å²	142.3	62%	0.617	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	91.7	38.6	-172.3	-50.3	176	79.7	162.3	0	116.7	R2013 P2015	R2013-K2017 WeakPolarHBondContact CD-O 3.47Å; R2013-K2017 PolarHBondContact NH1-O 2.89Å; P2015-K2017 PolarHBondContact O-N 2.62Å
2018	K	21.2	Very low	25.7	Very low	177 Å²	177	137.8 Å²	137.8	77%	0.77	68%	0.675	S	S	*	*	S	Bend	trans	-152.3	71.4	145.7	-87.4	-167.1	176	-173.7	0	106.4
2019	I	28.8	Very low	26	Very low	148 Å²	148	138.5 Å²	138.5	76%	0.759	67%	0.666	S	S	*	*	S	Bend		-124.2	96.3	80.5	-53.1	175.5	0	0	0	111.3
2020	Y	22.9	Very low	25.7	Very low	197 Å²	197	138.9 Å²	138.9	77%	0.773	66%	0.662	S	S	*	*	S	Bend	trans	-160.4	47.4	155	-127.6	-68.5	0	0	0	110.7
2021	Q	21.7	Very low	25.8	Very low	157 Å²	157	134.8 Å²	134.8	73%	0.734	65%	0.645	S	S	*	*	S	Bend	trans	-155.2	40.3	168.8	-139.3	165.4	-5.8	0	0	113.6
2022	E	26.4	Very low	25.8	Very low	173 Å²	173	132.2 Å²	132.2	81%	0.808	64%	0.635	S	S	*	*	S	Bend	trans	-140.6	19.9	164.2	-154.8	146.2	-129.8	0	0	112.7
2023	W	29.8	Very low	26.1	Very low	175 Å²	175	132.1 Å²	132.1	66%	0.663	63%	0.629	S	S	*	*	S	Bend	trans	-125.5	32	166.4	-110.8	73.1	0	0	0	112.2	K2026 L2027	W2023-K2026 HydrophobicContact CD2-CB 4.2Å; W2023-K2026 HydrophobicContact CD2-CD 4.4Å; W2023-K2026 HydrophobicContact CE3-CB 3.94Å; W2023-K2026 HydrophobicContact CH2-CD 4.06Å; W2023-K2026 HydrophobicContact CZ2-CD 3.84Å; W2023-K2026 HydrophobicContact CZ3-CB 4.22Å; W2023-K2026 HydrophobicContact CZ3-CD 4.4Å; W2023-L2027 PolarHBondContact O-N 3.36Å
2024	L	23.1	Very low	26.3	Very low	109 Å²	109	129 Å²	129	57%	0.571	63%	0.63	S	S	*	*	S	Bend	trans	-147.9	69.2	163.5	-158.6	156.2	0	0	0	105.8	L2027 T2028	L2024-L2027 HydrophobicContact CB-CB 4.07Å; L2024-L2027 HydrophobicContact CD1-CB 3.65Å; L2024-L2027 HydrophobicContact CG-CB 3.62Å; L2024-T2028 WeakPolarHBondContact CD2-OG1 2.81Å
2025	P	26.9	Very low	26.5	Very low	98 Å²	98	131.4 Å²	131.4	64%	0.636	63%	0.632	S	S	*	*	S	Bend		-91.5	-25.3	90.1	-25.2	37.4	0	0	0	117.3	L2027 T2028	P2025-L2027 VanDerWaalsContact C-N 3.27Å; P2025-L2027 PolarHBondContact O-N 2.76Å; P2025-T2028 WeakPolarHBondContact O-CB 3.05Å; P2025-T2028 PolarHBondContact O-N 2.98Å; P2025-T2028 PolarHBondContact O-OG1 2.93Å
2026	K	32.1	Very low	26.4	Very low	132 Å²	132	131 Å²	131	57%	0.574	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-16.1	-179	-85.7	-175	173.6	177.4	0	115.3	W2023	W2023-K2026 HydrophobicContact CD2-CB 4.2Å; W2023-K2026 HydrophobicContact CD2-CD 4.4Å; W2023-K2026 HydrophobicContact CE3-CB 3.94Å; W2023-K2026 HydrophobicContact CH2-CD 4.06Å; W2023-K2026 HydrophobicContact CZ2-CD 3.84Å; W2023-K2026 HydrophobicContact CZ3-CB 4.22Å; W2023-K2026 HydrophobicContact CZ3-CD 4.4Å
2027	L	26.3	Very low	26.7	Very low	75 Å²	75	126.3 Å²	126.3	39%	0.393	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94	-0.1	169	-94.8	162.9	0	0	0	114.5	W2023 L2024 P2025 L2030 S2031	W2023-L2027 PolarHBondContact O-N 3.36Å; L2024-L2027 HydrophobicContact CB-CB 4.07Å; L2024-L2027 HydrophobicContact CD1-CB 3.65Å; L2024-L2027 HydrophobicContact CG-CB 3.62Å; P2025-L2027 VanDerWaalsContact C-N 3.27Å; P2025-L2027 PolarHBondContact O-N 2.76Å; L2027-L2030 HydrophobicContact CD2-CB 4.19Å; L2027-S2031 PolarHBondContact O-N 3.23Å; L2027-S2031 PolarHBondContact O-OG 3.33Å; L2027-S2031 VanDerWaalsContact O-OG 3.09Å
2028	T	25.2	Very low	26.8	Very low	76 Å²	76	122.7 Å²	122.7	47%	0.466	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.5	-15.2	167.3	-24.2	0	0	0	0	112	L2024 P2025	L2024-T2028 WeakPolarHBondContact CD2-OG1 2.81Å; P2025-T2028 WeakPolarHBondContact O-CB 3.05Å; P2025-T2028 PolarHBondContact O-N 2.98Å; P2025-T2028 PolarHBondContact O-OG1 2.93Å
2029	E	28.6	Very low	27	Very low	124 Å²	124	123.4 Å²	123.4	58%	0.579	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-17.6	172.7	-146.9	-164.4	138.7	0	0	113.3	K2033	E2029-K2033 IonicContact OE1-NZ 2.68Å; E2029-K2033 PolarHBondContact OE1-NZ 3.39Å; E2029-K2033 VanDerWaalsContact OE1-NZ 3.13Å
2030	L	27.6	Very low	27	Very low	109 Å²	109	122 Å²	122	57%	0.571	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-12.3	178.3	-81.6	167.2	0	0	0	114.2	L2027 A2034	L2027-L2030 HydrophobicContact CD2-CB 4.19Å; L2030-A2034 WeakPolarHBondContact O-CB 3.21Å
2031	S	23.7	Very low	27.4	Very low	58 Å²	58	121.4 Å²	121.4	41%	0.406	61%	0.608	S	S	.	*	H	α-helix	trans	-78.6	-26	164.9	49.6	0	0	0	0	112.8	L2027	L2027-S2031 PolarHBondContact O-N 3.23Å; L2027-S2031 PolarHBondContact O-OG 3.33Å; L2027-S2031 VanDerWaalsContact O-OG 3.09Å
2032	H	28.1	Very low	27.6	Very low	148 Å²	148	117.1 Å²	117.1	69%	0.685	59%	0.589	S	S	*	*	H	α-helix	trans	-89.6	7.8	175.6	-95.8	-86.8	0	0	0	115.4
2033	K	29.5	Very low	27.5	Very low	136 Å²	136	112.5 Å²	112.5	59%	0.591	57%	0.569	S	S	*	*	H	α-helix	trans	-124	-8.4	169	-75.7	169.4	-177.3	156.3	0	113.7	E2029	E2029-K2033 IonicContact OE1-NZ 2.68Å; E2029-K2033 PolarHBondContact OE1-NZ 3.39Å; E2029-K2033 VanDerWaalsContact OE1-NZ 3.13Å
2034	A	28	Very low	27.5	Very low	61 Å²	61	112.8 Å²	112.8	50%	0.504	58%	0.576	S	S	.	*	H	α-helix	trans	-92.4	-26.5	175.5	0	0	0	0	0	113.6	L2030	L2030-A2034 WeakPolarHBondContact O-CB 3.21Å
2035	F	26.1	Very low	27.6	Very low	124 Å²	124	113.6 Å²	113.6	54%	0.544	59%	0.585	S	S	.	*	H	α-helix	trans	-79.4	-25.5	-175.9	-121.2	-74.7	0	0	0	114.5	V2037 R2039	F2035-V2037 VanDerWaalsContact C-N 3.31Å; F2035-V2037 PolarHBondContact O-N 3.3Å; F2035-R2039 PolarHBondContact O-N 1.86Å
2036	D	28.2	Very low	27.5	Very low	115 Å²	115	119.9 Å²	119.9	62%	0.615	60%	0.596	S	S	*	*	H	α-helix	trans	-79	-11.6	178.2	-71	-46.6	0	0	0	114.2
2037	V	31.9	Very low	27.3	Very low	118 Å²	118	117.4 Å²	117.4	72%	0.715	60%	0.6	S	S	*	*	H	α-helix	trans	-94.5	-20.3	177.4	-176.3	0	0	0	0	112	F2035	F2035-V2037 VanDerWaalsContact C-N 3.31Å; F2035-V2037 PolarHBondContact O-N 3.3Å
2038	A	26.2	Very low	27.2	Very low	67 Å²	67	119.8 Å²	119.8	55%	0.554	62%	0.618	S	S	*	*	H	α-helix	trans	-103.5	-21.9	-179.1	0	0	0	0	0	114.4
2039	R	26.4	Very low	27.1	Very low	192 Å²	192	121.1 Å²	121.1	73%	0.725	63%	0.626	S	S	*	*	S	Bend	trans	-90.8	-0.8	175.1	-168.8	170.7	-81.8	140.2	-8	113.5	F2035	F2035-R2039 PolarHBondContact O-N 1.86Å
2040	N	28.3	Very low	27	Very low	119 Å²	119	121.5 Å²	121.5	64%	0.636	63%	0.632	S	S	*	*	S	Bend	trans	-114.9	127.6	174.8	-106.2	-58	0	0	0	111.1	M2042	N2040-M2042 VanDerWaalsContact C-N 3.34Å; N2040-M2042 PolarHBondContact O-N 3.28Å
2041	K	32.3	Very low	27.2	Very low	184 Å²	184	121.2 Å²	121.2	80%	0.8	64%	0.639	S	S	*	*	S	Bend	trans	64.4	23.2	176.9	-69.4	-179.7	179.9	169.9	0	118	N2043	K2041-N2043 PolarHBondContact O-N 2.84Å
2042	M	24.2	Very low	27.2	Very low	66 Å²	66	125.6 Å²	125.6	33%	0.325	65%	0.653	S	S	.	*				-70.3	68.1	123.4	-80.8	-172.2	177.5	0	0	108.8	E318 Q319 Q320 M321 N2040	E318-M2042 CarbonylContact C-O 3.48Å; Q319-M2042 HydrophobicContact CB-CB 4Å; Q319-M2042 WeakPolarHBondContact CB-O 2.77Å; Q319-M2042 WeakPolarHBondContact CG-O 3.01Å; Q319-M2042 PolarHBondContact N-O 2.97Å; Q319-M2042 VanDerWaalsContact N-O 3.14Å; Q320-M2042 HydrophobicContact CB-CB 4.37Å; Q320-M2042 HydrophobicContact CB-CE 4.06Å; Q320-M2042 HydrophobicContact CB-CG 3.84Å; Q320-M2042 HydrophobicContact CB-SD 3.76Å; M321-M2042 WeakPolarHBondContact O-CE 3.48Å; N2040-M2042 VanDerWaalsContact C-N 3.34Å; N2040-M2042 PolarHBondContact O-N 3.28Å
2043	N	25.4	Very low	27.3	Very low	76 Å²	76	123.3 Å²	123.3	41%	0.406	65%	0.654	S	S	.	*			trans	-167.4	63.4	174.9	-112.2	-53.2	0	0	0	111.1	E318 Q319 K2041	E318-N2043 PolarHBondContact O-ND2 3.02Å; Q319-N2043 VanDerWaalsContact CD-CA 3.43Å; Q319-N2043 VanDerWaalsContact OE1-N 3.13Å; K2041-N2043 PolarHBondContact O-N 2.84Å
2044	K	28.7	Very low	27	Very low	182 Å²	182	124.3 Å²	124.3	79%	0.791	67%	0.665	S	S	*	*			trans	-170	117.6	145.9	-112	174.2	-177.2	-174.3	0	112.3	Q319	Q319-K2044 VanDerWaalsContact CD-N 3.35Å
2045	V	26.1	Very low	27	Very low	126 Å²	126	127.7 Å²	127.7	76%	0.764	68%	0.679	S	S	*	*			trans	167.2	89	132.8	161.1	0	0	0	0	107.8
2046	R	24.8	Very low	26.8	Very low	229 Å²	229	131.2 Å²	131.2	86%	0.864	69%	0.69	S	S	*	*	S	Bend	trans	-161.3	140	149.4	-147.4	173.1	-169.8	172.3	3.6	108
2047	A	27.3	Very low	26.6	Very low	80 Å²	80	131.1 Å²	131.1	66%	0.661	69%	0.689	S	S	*	*			trans	61.5	132.9	-170.2	0	0	0	0	0	114.4
2048	T	24.9	Very low	26.2	Very low	125 Å²	125	132.2 Å²	132.2	77%	0.767	69%	0.691	S	S	*	*			cis	70	131.4	36.9	78.6	0	0	0	0	112.8
2049	T	23.9	Very low	26.3	Very low	105 Å²	105	136.6 Å²	136.6	64%	0.644	70%	0.703	S	S	*	*			cis	-159.4	166.6	7.2	-8.6	0	0	0	0	111.7
2050	N	25.9	Very low	26.1	Very low	132 Å²	132	134.2 Å²	134.2	71%	0.706	70%	0.7	S	S	*	*			trans	68.6	147.2	163	-56	-1.1	0	0	0	117.3
2051	S	31.2	Very low	26.1	Very low	102 Å²	102	132.8 Å²	132.8	71%	0.713	70%	0.699	S	S	*	*			cis	-122	144.5	-1.9	59.2	0	0	0	0	110.3
2052	Q	24.2	Very low	25.8	Very low	151 Å²	151	128.4 Å²	128.4	71%	0.706	68%	0.684	S	S	*	*				35.4	123.7	92.4	-59.6	177.5	2.5	0	0	112.7
2053	S	29.2	Very low	25.7	Very low	100 Å²	100	127.2 Å²	127.2	70%	0.699	68%	0.679	S	S	*	*			cis	-136.1	147.7	44	-177	0	0	0	0	111.1
2054	L	23.3	Very low	25.8	Very low	157 Å²	157	129.1 Å²	129.1	82%	0.822	69%	0.689	S	S	*	*				35.9	130.1	84.3	-67.5	165.1	0	0	0	112.9
2055	V	28.3	Very low	25.6	Very low	132 Å²	132	126.6 Å²	126.6	80%	0.8	68%	0.679	S	S	*	*				-152.2	160.1	59.1	161.5	0	0	0	0	112.5
2056	Y	23.1	Very low	26.1	Very low	197 Å²	197	125.6 Å²	125.6	77%	0.773	68%	0.675	S	S	*	*			trans	-13.3	133.3	168.9	-100.9	-142.6	0	0	0	122.4
2057	N	23.3	Very low	25.9	Very low	113 Å²	113	119.9 Å²	119.9	60%	0.604	67%	0.671	S	S	*	*				57.1	138.7	118.6	-69.9	-4.1	0	0	0	124.1
2058	L	22.8	Very low	25.8	Very low	142 Å²	142	121.7 Å²	121.7	74%	0.743	67%	0.674	S	S	*	*			trans	51.4	91.3	137.2	-65	167	0	0	0	118
2059	I	29	Very low	25.6	Very low	158 Å²	158	121.4 Å²	121.4	81%	0.81	66%	0.664	S	S	*	*				-121.8	121.2	128.6	-70	-175.5	0	0	0	107.6	S2061	I2059-S2061 WeakPolarHBondContact CG2-OG 3.06Å
2060	H	22.9	Very low	25.5	Very low	142 Å²	142	121.6 Å²	121.6	66%	0.657	67%	0.668	S	S	*	*			trans	-81.9	115.9	168	-141.4	-89.8	0	0	0	106.2
2061	S	27.2	Very low	25.4	Very low	89 Å²	89	125.2 Å²	125.2	62%	0.622	67%	0.673	S	S	*	*			trans	-173.6	154.1	164.9	10.8	0	0	0	0	113.7	I2059	I2059-S2061 WeakPolarHBondContact CG2-OG 3.06Å
2062	D	25.2	Very low	25.2	Very low	92 Å²	92	125.1 Å²	125.1	49%	0.492	67%	0.669	S	S	.	*			cis	-175.4	138.8	-30.8	-112.5	4.1	0	0	0	115
2063	I	23.5	Very low	25.3	Very low	42 Å²	42	123 Å²	123	22%	0.215	67%	0.67	C	S	.	*			trans	80.5	157.3	151.4	-36.5	-36.3	0	0	0	118.4	L1623 Y1624 D1625	L1623-I2063 HydrophobicContact CB-CB 4.21Å; L1623-I2063 HydrophobicContact CB-CD1 3.62Å; L1623-I2063 HydrophobicContact CB-CG1 4.33Å; L1623-I2063 HydrophobicContact CB-CG2 3.92Å; L1623-I2063 HydrophobicContact CD2-CD1 3.6Å; L1623-I2063 HydrophobicContact CG-CD1 4.14Å; Y1624-I2063 HydrophobicContact CD1-CB 4Å; Y1624-I2063 HydrophobicContact CD1-CG1 3.53Å; Y1624-I2063 HydrophobicContact CD1-CG2 3.64Å; Y1624-I2063 HydrophobicContact CD2-CG2 3.73Å; Y1624-I2063 HydrophobicContact CE1-CB 4.35Å; Y1624-I2063 HydrophobicContact CE1-CG1 4.22Å; Y1624-I2063 HydrophobicContact CE1-CG2 4.1Å; Y1624-I2063 HydrophobicContact CE2-CG2 4.22Å; Y1624-I2063 HydrophobicContact CG-CB 4.25Å; Y1624-I2063 HydrophobicContact CG-CG1 3.94Å; Y1624-I2063 HydrophobicContact CG-CG2 3.4Å; Y1624-I2063 VanDerWaalsContact CG-CG2 3.4Å; Y1624-I2063 VanDerWaalsContact N-CG2 3.29Å; D1625-I2063 HydrophobicContact CB-CD1 4.34Å
2064	L	27.1	Very low	25.4	Very low	116 Å²	116	125.5 Å²	125.5	61%	0.607	68%	0.676	S	S	*	*				-160.3	141.2	54	-170.2	-73.7	0	0	0	119	Y1624	Y1624-L2064 HydrophobicContact CD2-CD2 3.77Å; Y1624-L2064 HydrophobicContact CE2-CD2 3.27Å
2065	H	24.5	Very low	25.5	Very low	128 Å²	128	127.1 Å²	127.1	59%	0.593	68%	0.676	S	S	*	*			trans	-38.6	160.7	172.8	-135.8	-113.9	0	0	0	118.7	L1623	L1623-H2065 PolarHBondContact O-CD2 2.93Å
2066	P	35.5	Very low	25.4	Very low	105 Å²	105	125 Å²	125	68%	0.682	67%	0.672	S	S	*	*			trans	-90.3	160.5	174.6	36.4	-36.8	0	0	0	114.4
2067	S	21.4	Very low	25.8	Very low	110 Å²	110	122.3 Å²	122.3	77%	0.769	67%	0.671	S	S	*	*			trans	-178.5	157.8	135.2	46	0	0	0	0	114.4
2068	T	24.6	Very low	26	Very low	117 Å²	117	120.6 Å²	120.6	72%	0.718	67%	0.669	S	S	*	*			trans	26.3	120.9	152.6	49.1	0	0	0	0	122.5
2069	Q	22	Very low	26.3	Very low	120 Å²	120	118.7 Å²	118.7	56%	0.561	66%	0.657	S	S	*	*				46.3	138.1	120.5	-65.8	-178.8	-10.1	0	0	121.7
2070	C	20.8	Very low	26.5	Very low	108 Å²	108	118.1 Å²	118.1	73%	0.73	65%	0.65	S	S	*	*			trans	56.1	116.1	149	-60	0	0	0	0	117
2071	Y	24.7	Very low	26.9	Very low	208 Å²	208	117 Å²	117	82%	0.816	64%	0.644	S	S	*	*				-150.3	142.6	70.2	-120	-110.5	0	0	0	114
2072	T	26.6	Very low	27	Very low	101 Å²	101	117.5 Å²	117.5	62%	0.62	64%	0.64	S	S	*	*			trans	32.2	123	148.5	58.7	0	0	0	0	121.3
2073	S	25.8	Very low	27.2	Very low	105 Å²	105	118.1 Å²	118.1	73%	0.734	64%	0.638	S	S	*	*			trans	77.8	159.4	130.9	86.4	0	0	0	0	118.6
2074	N	31.4	Very low	27.4	Very low	153 Å²	153	126.9 Å²	126.9	82%	0.818	67%	0.668	S	S	*	*			cis	-138.3	150.6	0.1	-140.5	-13.9	0	0	0	114
2075	K	25.5	Very low	27.4	Very low	191 Å²	191	127.3 Å²	127.3	83%	0.83	67%	0.671	S	S	*	*			trans	-87.1	176.4	167.7	-109.4	179.9	179.7	176.4	0	109.7
2076	A	27	Very low	27.4	Very low	88 Å²	88	125.8 Å²	125.8	73%	0.727	68%	0.675	S	S	*	*			trans	69.5	156.5	172.9	0	0	0	0	0	113.5
2077	N	30.1	Very low	26.9	Very low	140 Å²	140	127.7 Å²	127.7	75%	0.749	68%	0.675	S	S	*	*			cis	-139.1	175.8	15.4	-106.1	-50.5	0	0	0	108.6
2078	S	29.2	Very low	27.2	Very low	78 Å²	78	128.4 Å²	128.4	55%	0.545	68%	0.678	S	S	.	*			cis	-159.1	140	0.5	152.5	0	0	0	0	104.5
2079	M	27.6	Very low	27.4	Very low	102 Å²	102	128 Å²	128	50%	0.502	68%	0.679	S	S	.	*				48.4	143.8	81.9	-46.5	-175.2	-48.5	0	0	113.1	K2081	M2079-K2081 HydrophobicContact CB-CD 3.9Å; M2079-K2081 HydrophobicContact CB-CG 4.06Å; M2079-K2081 HydrophobicContact CG-CD 3.85Å; M2079-K2081 HydrophobicContact CG-CG 4.17Å; M2079-K2081 HydrophobicContact SD-CD 3.54Å; M2079-K2081 VanDerWaalsContact SD-CD 3.54Å; M2079-K2081 WeakPolarHBondContact SD-CE 3.33Å; M2079-K2081 HydrophobicContact SD-CG 4.47Å; M2079-K2081 PolarHBondContact SD-NZ 3.37Å
2080	H	33.8	Very low	27.6	Very low	145 Å²	145	129.8 Å²	129.8	67%	0.671	69%	0.692	S	S	*	*			cis	-122.6	146.2	26.3	-86.5	-113.3	0	0	0	113.5
2081	K	31.2	Very low	28.1	Very low	119 Å²	119	131.2 Å²	131.2	52%	0.517	69%	0.692	S	S	.	*			cis	77.7	161.8	40.8	-74.2	-172.9	143.9	-177.6	0	112.8	M2079	M2079-K2081 HydrophobicContact CB-CD 3.9Å; M2079-K2081 HydrophobicContact CB-CG 4.06Å; M2079-K2081 HydrophobicContact CG-CD 3.85Å; M2079-K2081 HydrophobicContact CG-CG 4.17Å; M2079-K2081 HydrophobicContact SD-CD 3.54Å; M2079-K2081 VanDerWaalsContact SD-CD 3.54Å; M2079-K2081 WeakPolarHBondContact SD-CE 3.33Å; M2079-K2081 HydrophobicContact SD-CG 4.47Å; M2079-K2081 PolarHBondContact SD-NZ 3.37Å
2082	D	30.4	Very low	28.1	Very low	100 Å²	100	128.7 Å²	128.7	54%	0.535	69%	0.692	S	S	.	*			cis	-163.6	174.8	8.2	-121.7	5.4	0	0	0	107.2
2083	K	29.3	Very low	28.1	Very low	104 Å²	104	131.3 Å²	131.3	45%	0.452	70%	0.701	S	S	.	*			cis	-169.3	172.9	-12.9	-141	175.3	-153.8	-169.1	0	108.4	E2087	K2083-E2087 IonicContact NZ-OE2 2.65Å; K2083-E2087 PolarHBondContact NZ-OE2 3.07Å
2084	R	27	Very low	28.1	Very low	226 Å²	226	133.1 Å²	133.1	85%	0.853	70%	0.701	S	S	*	*				157.3	141.2	114.9	-81.3	179.8	-160.7	-164.5	5.9	107.9
2085	N	26.9	Very low	27.9	Very low	126 Å²	126	131.4 Å²	131.4	67%	0.674	69%	0.692	S	S	*	*			cis	-156	177.7	-11.6	-102.9	-3.4	0	0	0	105.9
2086	S	24.1	Very low	28.1	Very low	95 Å²	95	130.5 Å²	130.5	66%	0.664	69%	0.688	S	S	*	*			cis	-141.1	175.9	11.3	49	0	0	0	0	111.6
2087	E	24.9	Very low	28	Very low	146 Å²	146	130.6 Å²	130.6	68%	0.682	68%	0.683	S	S	*	*			trans	-133.2	171	173	-62.4	167	92	0	0	108.6	K2083	K2083-E2087 IonicContact NZ-OE2 2.65Å; K2083-E2087 PolarHBondContact NZ-OE2 3.07Å
2088	C	29	Very low	27.7	Very low	124 Å²	124	131.5 Å²	131.5	84%	0.838	68%	0.683	S	S	*	*			trans	82.5	177.3	143.9	-80.2	0	0	0	0	122
2089	C	28.2	Very low	27.6	Very low	109 Å²	109	135.1 Å²	135.1	74%	0.736	69%	0.694	S	S	*	*			trans	-86.1	-178.4	-159.8	-49.3	0	0	0	0	115.2
2090	L	26.5	Very low	27.5	Very low	158 Å²	158	133.3 Å²	133.3	83%	0.827	70%	0.702	S	S	*	*			trans	-62.8	155.5	157.1	-130.5	74.6	0	0	0	112
2091	N	31.2	Very low	27.1	Very low	138 Å²	138	134.3 Å²	134.3	74%	0.738	71%	0.707	S	S	*	*			trans	-95.6	175.1	177.8	-58.1	-70.4	0	0	0	111.1
2092	D	24.9	Very low	26.8	Very low	154 Å²	154	134.9 Å²	134.9	82%	0.824	72%	0.716	S	S	*	*				-176.2	150	83.1	-96.5	-18.8	0	0	0	112.6
2093	I	26.2	Very low	26.4	Very low	156 Å²	156	135 Å²	135	80%	0.8	72%	0.724	S	S	*	*			trans	-163.1	137.9	131.2	-113.9	169.7	0	0	0	111.7
2094	I	25.6	Very low	26.3	Very low	143 Å²	143	136.3 Å²	136.3	73%	0.733	74%	0.741	S	S	*	*	S	Bend	trans	69.8	111.5	169.7	-70.7	165.5	0	0	0	118.1
2095	N	27.1	Very low	26.1	Very low	117 Å²	117	131.6 Å²	131.6	63%	0.626	74%	0.738	S	S	*	*			trans	66.8	93.2	151.5	-70.7	-21.6	0	0	0	119.9
2096	K	29.8	Very low	26	Very low	172 Å²	172	130.9 Å²	130.9	75%	0.748	75%	0.749	S	S	*	*				73.3	113.5	99.4	-78.7	175.1	-166.9	162.3	0	116.4
2097	S	24.1	Very low	26.1	Very low	90 Å²	90	129.4 Å²	129.4	63%	0.629	75%	0.749	S	S	*	*				70.1	138.9	76.8	90.1	0	0	0	0	112.3
2098	Q	25.1	Very low	26.1	Very low	160 Å²	160	126.7 Å²	126.7	75%	0.748	76%	0.76	S	S	*	*			cis	-172.4	168.6	10.4	-137.4	171	-0	0	0	108
2099	I	26.8	Very low	26.5	Very low	153 Å²	153	128 Å²	128	79%	0.785	76%	0.757	S	S	*	*			trans	67.6	131.2	162.2	-54.5	147.9	0	0	0	114.5
2100	G	26.2	Very low	26.2	Very low	64 Å²	64	128.1 Å²	128.1	66%	0.66	76%	0.76	S	S	*	*			cis	144.9	172.8	-5.3	0	0	0	0	0	112.6
2101	Q	25	Very low	26.2	Very low	167 Å²	167	127.7 Å²	127.7	78%	0.78	75%	0.753	S	S	*	*			trans	76.4	129.3	166.1	-59.5	-167.6	0.8	0	0	119.6
2102	N	23.6	Very low	25.8	Very low	130 Å²	130	127.2 Å²	127.2	70%	0.695	75%	0.746	S	S	*	*			trans	59.7	101.9	131.1	-54.3	-1.6	0	0	0	118.5
2103	S	22.9	Very low	25.9	Very low	103 Å²	103	127.4 Å²	127.4	72%	0.72	74%	0.74	S	S	*	*				80.2	110.8	69.9	73.3	0	0	0	0	115.8
2104	T	27	Very low	25.7	Very low	132 Å²	132	127.2 Å²	127.2	81%	0.81	74%	0.74	S	S	*	*			trans	176.6	115.4	155.5	19.8	0	0	0	0	107
2105	T	23.3	Very low	25.6	Very low	126 Å²	126	127.7 Å²	127.7	77%	0.773	74%	0.74	S	S	*	*				75.9	123.9	74.8	61.5	0	0	0	0	116.9
2106	A	24.6	Very low	25.5	Very low	111 Å²	111	129.6 Å²	129.6	92%	0.917	74%	0.742	S	S	*	*			trans	64.4	155.7	165.7	0	0	0	0	0	116.9
2107	G	25.2	Very low	25.3	Very low	64 Å²	64	127.9 Å²	127.9	66%	0.66	75%	0.746	S	S	*	*			cis	-179	161.9	-4.2	0	0	0	0	0	110.3
2108	G	25	Very low	26	Very low	89 Å²	89	130.8 Å²	130.8	92%	0.918	75%	0.754	S	S	*	*			trans	-61.4	140.2	-172.8	0	0	0	0	0	114.4
2109	I	37.6	Very low	26.3	Very low	152 Å²	152	128.7 Å²	128.7	78%	0.779	76%	0.755	S	S	*	*			trans	-100.1	124.4	173.4	-64.7	177.9	0	0	0	109.3	H2111	I2109-H2111 VanDerWaalsContact C-N 3.29Å; I2109-H2111 PolarHBondContact O-N 2.92Å
2110	S	22.3	Very low	26.3	Very low	112 Å²	112	126.6 Å²	126.6	78%	0.783	75%	0.749	S	S	*	*	S	Bend	trans	-70.7	83.1	162.5	57.1	0	0	0	0	110.1
2111	H	25.7	Very low	26.5	Very low	149 Å²	149	131.2 Å²	131.2	69%	0.69	76%	0.758	S	S	*	*			trans	-179.9	133.1	151.1	-112.9	-97.4	0	0	0	112.3	I2109	I2109-H2111 VanDerWaalsContact C-N 3.29Å; I2109-H2111 PolarHBondContact O-N 2.92Å
2112	E	24.4	Very low	26.5	Very low	128 Å²	128	127.3 Å²	127.3	60%	0.598	75%	0.746	S	S	*	*			trans	52.1	126.1	148.1	-75.1	178.1	97.8	0	0	123.6
2113	K	25.6	Very low	26.9	Very low	158 Å²	158	128.6 Å²	128.6	69%	0.687	75%	0.753	S	S	*	*			trans	69.9	126.3	133.7	-68	169.3	178.9	154.5	0	120.2
2114	D	23.6	Very low	27.3	Very low	151 Å²	151	128.2 Å²	128.2	81%	0.807	75%	0.748	S	S	*	*			trans	65	162	152.5	-54.1	-38.6	0	0	0	117.5
2115	E	23.6	Very low	27.3	Very low	154 Å²	154	129.2 Å²	129.2	72%	0.72	75%	0.748	S	S	*	*			trans	-16	131.4	171.7	-58.8	-166	134.4	0	0	117
2116	K	25.1	Very low	27.8	Very low	156 Å²	156	128.4 Å²	128.4	68%	0.678	75%	0.745	S	S	*	*			cis	-175.5	154.8	29.7	-115.3	155.8	-165.6	146.9	0	111.6
2117	V	25.6	Very low	27.9	Very low	136 Å²	136	130.8 Å²	130.8	82%	0.824	74%	0.737	S	S	*	*			trans	73.4	123.8	159.9	-179.4	0	0	0	0	118.8
2118	N	37.2	Very low	28.1	Very low	151 Å²	151	134.4 Å²	134.4	81%	0.807	74%	0.741	S	S	*	*			trans	-30.8	147.4	170.1	-55.9	4.3	0	0	0	116.5
2119	P	32	Very low	28.1	Very low	117 Å²	117	137.5 Å²	137.5	76%	0.76	74%	0.736	S	S	*	*				-141.8	175.8	52.6	41.8	-24.8	0	0	0	117
2120	V	26.1	Very low	28.3	Very low	109 Å²	109	136 Å²	136	66%	0.661	74%	0.736	S	S	*	*			trans	34.8	98.3	160.6	171.8	0	0	0	0	114.9	V2122	V2120-V2122 HydrophobicContact CB-CG2 4.15Å; V2120-V2122 HydrophobicContact CG1-CB 4.11Å; V2120-V2122 HydrophobicContact CG1-CG2 3.65Å; V2120-V2122 HydrophobicContact CG2-CG2 3.93Å
2121	D	32	Very low	28.5	Very low	160 Å²	160	134.3 Å²	134.3	86%	0.856	72%	0.719	S	S	*	*				-107.3	143.1	70.8	-63.8	-45.7	0	0	0	114.2
2122	V	24.3	Very low	28.8	Very low	85 Å²	85	132.2 Å²	132.2	52%	0.515	71%	0.711	S	S	.	*			cis	74.1	98.7	16.9	-173.6	0	0	0	0	116.1	V2120 P2124	V2120-V2122 HydrophobicContact CB-CG2 4.15Å; V2120-V2122 HydrophobicContact CG1-CB 4.11Å; V2120-V2122 HydrophobicContact CG1-CG2 3.65Å; V2120-V2122 HydrophobicContact CG2-CG2 3.93Å; V2122-P2124 HydrophobicContact CG1-CB 4.45Å; V2122-P2124 HydrophobicContact CG1-CG 4.12Å
2123	D	32.5	Very low	28.9	Very low	158 Å²	158	131.2 Å²	131.2	85%	0.845	71%	0.71	S	S	*	*				-134.4	152	103.1	-110.2	-23.4	0	0	0	108.1
2124	P	30.8	Very low	28.8	Very low	95 Å²	95	127.3 Å²	127.3	62%	0.617	69%	0.694	S	S	*	*				-114.3	157.8	-122.7	3.5	19.2	0	0	0	117.2	V2122	V2122-P2124 HydrophobicContact CG1-CB 4.45Å; V2122-P2124 HydrophobicContact CG1-CG 4.12Å
2125	D	26.2	Very low	28.8	Very low	152 Å²	152	127.7 Å²	127.7	81%	0.813	69%	0.691	S	S	*	*			trans	9.6	155.7	133.5	-76.8	-14.3	0	0	0	121
2126	P	35.1	Very low	28.9	Very low	109 Å²	109	128.5 Å²	128.5	71%	0.708	70%	0.695	S	S	*	*			cis	-142.1	178	-28.8	38	-20.3	0	0	0	113.3
2127	E	25.4	Very low	28.9	Very low	161 Å²	161	127.7 Å²	127.7	75%	0.752	70%	0.698	S	S	*	*				171.1	145.9	121.6	-98.1	-167.7	165.7	0	0	115.2
2128	L	29.3	Very low	28.9	Very low	141 Å²	141	127.3 Å²	127.3	74%	0.738	69%	0.691	S	S	*	*			trans	66.6	84.4	148.1	-65.6	167.4	0	0	0	121
2129	D	25.9	Very low	28.3	Very low	154 Å²	154	125.2 Å²	125.2	82%	0.824	68%	0.677	S	S	*	*			trans	19.2	138.4	133.9	-68.1	-44.6	0	0	0	122.6
2130	P	40.8	Very low	27.9	Very low	119 Å²	119	124.5 Å²	124.5	77%	0.773	66%	0.662	S	S	*	*			trans	-92.9	-177.9	164.2	41.3	-36.1	0	0	0	112.7
2131	D	27.1	Very low	27.8	Very low	78 Å²	78	125.4 Å²	125.4	42%	0.417	66%	0.663	S	S	.	*			trans	-150.3	175.3	143	-157.4	-1.8	0	0	0	109.9	H1500 K1501 F1503	H1500-D2131 IonicContact CD2-OD2 2.8Å; H1500-D2131 IonicContact NE2-OD2 2.68Å; K1501-D2131 VanDerWaalsContact CD-OD2 3.26Å; K1501-D2131 WeakPolarHBondContact CD-OD2 3.41Å; K1501-D2131 IonicContact NZ-OD2 3.34Å; K1501-D2131 PolarHBondContact NZ-OD2 3.22Å; F1503-D2131 HydrophobicContact CE2-CB 4.21Å; F1503-D2131 WeakPolarHBondContact CZ-O 3.44Å
2132	I	31.8	Very low	27.5	Very low	105 Å²	105	123.4 Å²	123.4	54%	0.538	66%	0.66	S	S	.	*			trans	-91.8	28.5	-172.5	-12.9	173.1	0	0	0	125.3	F1503 N1504	F1503-I2132 CarbonylContact C-O 3.48Å; F1503-I2132 WeakPolarHBondContact CA-O 3.22Å; F1503-I2132 HydrophobicContact CB-CB 3.35Å; F1503-I2132 HydrophobicContact CB-CG2 3.63Å; F1503-I2132 VanDerWaalsContact CB-O 3.24Å; F1503-I2132 WeakPolarHBondContact CB-O 3.26Å; F1503-I2132 HydrophobicContact CD1-CB 2.92Å; F1503-I2132 HydrophobicContact CD1-CG1 4.45Å; F1503-I2132 HydrophobicContact CD1-CG2 2.86Å; F1503-I2132 WeakPolarHBondContact CD1-O 3.06Å; F1503-I2132 HydrophobicContact CD2-CB 3.15Å; F1503-I2132 HydrophobicContact CD2-CG1 4.3Å; F1503-I2132 HydrophobicContact CD2-CG2 4.3Å; F1503-I2132 WeakPolarHBondContact CD2-O 3.45Å; F1503-I2132 HydrophobicContact CE1-CB 3.6Å; F1503-I2132 HydrophobicContact CE1-CG2 3.77Å; F1503-I2132 WeakPolarHBondContact CE1-O 3.23Å; F1503-I2132 HydrophobicContact CE2-CB 3.79Å; F1503-I2132 WeakPolarHBondContact CE2-O 3.38Å; F1503-I2132 HydrophobicContact CG-CB 2.65Å; F1503-I2132 HydrophobicContact CG-CG1 4.15Å; F1503-I2132 HydrophobicContact CG-CG2 3.21Å; F1503-I2132 WeakPolarHBondContact CG-O 3.45Å; F1503-I2132 HydrophobicContact CZ-CB 3.96Å; N1504-I2132 PolarHBondContact N-O 2.87Å
2133	D	26.2	Very low	27.7	Very low	106 Å²	106	122.9 Å²	122.9	57%	0.567	66%	0.664	S	S	*	*			trans	80	-146.8	143.5	-165.5	-102	0	0	0	117.6	K1502 F1503 N1504	K1502-D2133 WeakPolarHBondContact CD-O 3.18Å; K1502-D2133 PolarHBondContact NZ-O 3.03Å; F1503-D2133 HydrophobicContact CD1-CB 4.17Å; F1503-D2133 HydrophobicContact CE1-CB 3.46Å; F1503-D2133 VanDerWaalsContact CE1-CB 3.46Å; F1503-D2133 HydrophobicContact CZ-CB 3.86Å; N1504-D2133 HydrophobicContact CB-CB 4.2Å; N1504-D2133 PolarHBondContact ND2-OD1 3.33Å
2134	E	24.5	Very low	27.5	Very low	76 Å²	76	119.3 Å²	119.3	36%	0.355	65%	0.645	S	S	.	*			trans	60.7	119.8	-161.1	-108	158.6	-128.6	0	0	115.5	K1502 N1504	K1502-E2134 HydrophobicContact CD-CB 4.42Å; K1502-E2134 VanDerWaalsContact CE-CB 3.49Å; K1502-E2134 PolarHBondContact NZ-O 2.81Å; N1504-E2134 WeakPolarHBondContact CA-OE1 3.34Å; N1504-E2134 HydrophobicContact CB-CB 4Å; N1504-E2134 HydrophobicContact CB-CG 3.73Å; N1504-E2134 PolarHBondContact OD1-OE1 3.01Å
2135	E	23.4	Very low	27.4	Very low	160 Å²	160	118.8 Å²	118.8	75%	0.748	65%	0.649	S	S	*	*			trans	47	130.5	133	-67.3	179.3	-175.9	0	0	120.1
2136	E	25.6	Very low	27.8	Very low	171 Å²	171	115.3 Å²	115.3	80%	0.799	64%	0.635	S	S	*	*			cis	-157.8	-145.2	-6.3	-148.9	178.6	-176.9	0	0	109.5
2137	D	25.5	Very low	27.4	Very low	138 Å²	138	116.1 Å²	116.1	74%	0.738	63%	0.632	S	S	*	*			trans	73.9	96.1	166.8	-69.3	-9.9	0	0	0	120.4
2138	D	24.9	Very low	27.5	Very low	129 Å²	129	114.9 Å²	114.9	69%	0.69	63%	0.626	S	S	*	*				68.2	90.6	120.4	-84.8	15.2	0	0	0	121.2
2139	E	24.2	Very low	27.3	Very low	107 Å²	107	112.6 Å²	112.6	50%	0.5	62%	0.618	S	S	.	*				56	136	104.4	-150.7	-160	-122.9	0	0	119.4
2140	K	24.1	Very low	27.3	Very low	101 Å²	101	112 Å²	112	44%	0.439	61%	0.61	S	S	.	*			trans	79	146.4	179.1	-43.3	167.7	-157	65.4	0	111.1
2141	D	24.7	Very low	26.8	Very low	128 Å²	128	110 Å²	110	68%	0.684	59%	0.593	S	S	*	*			cis	-149.3	-172.6	19.9	-141	-46.3	0	0	0	111.1
2142	C	25.8	Very low	26.8	Very low	118 Å²	118	111.6 Å²	111.6	80%	0.797	60%	0.6	S	S	*	*			trans	71.5	163.7	171.4	-64.5	0	0	0	0	114
2143	A	28.7	Very low	26.7	Very low	74 Å²	74	112.7 Å²	112.7	61%	0.612	61%	0.607	S	S	*	*			cis	-150.9	-177.6	30.7	0	0	0	0	0	110.9	A2145	A2143-A2145 HydrophobicContact CB-CB 4.48Å
2144	L	28.4	Very low	26.7	Very low	83 Å²	83	111.6 Å²	111.6	44%	0.435	61%	0.612	S	S	.	*			cis	-136	151.2	24	-68	78.6	0	0	0	110.9	P2146	L2144-P2146 HydrophobicContact CD2-CB 4.33Å; L2144-P2146 HydrophobicContact CD2-CG 3.95Å
2145	A	28.9	Very low	26.9	Very low	84 Å²	84	115 Å²	115	69%	0.694	63%	0.633	S	S	*	*			cis	65.8	178.2	40	0	0	0	0	0	111	A2143	A2143-A2145 HydrophobicContact CB-CB 4.48Å
2146	P	33.7	Very low	27.1	Very low	80 Å²	80	114.6 Å²	114.6	52%	0.519	64%	0.636	S	S	.	*			cis	-144.4	-160.1	15	30.8	-3	0	0	0	115.7	L2144	L2144-P2146 HydrophobicContact CD2-CB 4.33Å; L2144-P2146 HydrophobicContact CD2-CG 3.95Å
2147	L	27.1	Very low	27.4	Very low	126 Å²	126	111.5 Å²	111.5	66%	0.66	63%	0.631	S	S	*	*			trans	90.4	143	154.1	-48.5	-179.7	0	0	0	119.8
2148	Q	26.1	Very low	27.4	Very low	134 Å²	134	110 Å²	110	63%	0.626	63%	0.631	S	S	*	*			cis	-159.9	172.6	-42	-129.2	-176.2	-32.1	0	0	112.8
2149	T	26.7	Very low	27.5	Very low	93 Å²	93	109.1 Å²	109.1	57%	0.571	63%	0.631	S	S	*	*			trans	-54.1	166.9	-179.9	38.7	0	0	0	0	116.8
2150	H	26.2	Very low	27.6	Very low	141 Å²	141	110.7 Å²	110.7	65%	0.653	64%	0.638	S	S	*	*				177	152.9	71.4	-96.3	-66	0	0	0	116.4
2151	I	28.6	Very low	27.8	Very low	79 Å²	79	109.9 Å²	109.9	41%	0.405	64%	0.635	S	S	.	*			trans	73	137.4	133.9	-71.1	170.5	0	0	0	119.4	P1957 L1958	P1957-I2151 CarbonylContact C-O 3.34Å; P1957-I2151 WeakPolarHBondContact CA-O 3.45Å; P1957-I2151 WeakPolarHBondContact O-CG2 3.46Å; L1958-I2151 PolarHBondContact N-O 3.32Å
2152	I	28.9	Very low	27.7	Very low	110 Å²	110	107 Å²	107	56%	0.564	63%	0.625	S	S	*	*			cis	-155.1	-162.9	-6.6	-126.5	171.9	0	0	0	112.6	K1956	K1956-I2152 VanDerWaalsContact O-O 3.1Å
2153	N	28.3	Very low	27.7	Very low	128 Å²	128	106 Å²	106	68%	0.684	62%	0.62	S	S	*	*			trans	-75	-179.6	-172.4	-48.3	-25.5	0	0	0	115.5
2154	A	27.8	Very low	27.6	Very low	83 Å²	83	113.7 Å²	113.7	69%	0.686	63%	0.633	S	S	*	*			cis	-163.7	172.6	19.7	0	0	0	0	0	116.4
2155	N	28.2	Very low	27.5	Very low	149 Å²	149	115.1 Å²	115.1	80%	0.797	65%	0.647	S	S	*	*			trans	81.8	103.6	153.5	-64.5	-11.9	0	0	0	123.8
2156	N	26.9	Very low	27.5	Very low	150 Å²	150	114.5 Å²	114.5	80%	0.802	63%	0.627	S	S	*	*				43	151	127.4	-75.6	-6.8	0	0	0	124.2
2157	P	32.6	Very low	27.2	Very low	107 Å²	107	115 Å²	115	70%	0.695	62%	0.622	S	S	*	*			cis	-144	171.9	-27	40.2	-22	0	0	0	117.3
2158	S	25.3	Very low	27.3	Very low	106 Å²	106	116.8 Å²	116.8	74%	0.741	62%	0.62	S	S	*	*			trans	77.9	128.2	152.2	58.1	0	0	0	0	123.7
2159	T	26.4	Very low	27.6	Very low	111 Å²	111	118.2 Å²	118.2	68%	0.681	63%	0.63	S	S	*	*			trans	71.7	123.3	150.1	47.1	0	0	0	0	123.1
2160	H	27	Very low	27.6	Very low	139 Å²	139	121.4 Å²	121.4	64%	0.644	64%	0.641	S	S	*	*			trans	104.5	115.2	140.7	-72.3	-43.9	0	0	0	121.7	D1819	D1819-H2160 WeakPolarHBondContact OD2-CA 3.19Å; D1819-H2160 PolarHBondContact OD2-N 3.05Å
2161	H	27.2	Very low	27.7	Very low	84 Å²	84	121.1 Å²	121.1	39%	0.389	64%	0.644	S	S	.	*			trans	56.2	85.9	141.8	-72.8	-77.7	0	0	0	122.6	A1821	A1821-H2161 PolarHBondContact N-CE1 3.37Å
2162	S	23.7	Very low	27.7	Very low	67 Å²	67	125.8 Å²	125.8	47%	0.469	66%	0.664	S	S	.	*				91	120.7	106.1	75.3	0	0	0	0	120.6	S1818	S1818-S2162 WeakPolarHBondContact O-CA 3.49Å; S1818-S2162 PolarHBondContact O-N 2.83Å
2163	S	25.9	Very low	27.6	Very low	98 Å²	98	123.8 Å²	123.8	69%	0.685	67%	0.67	S	S	*	*			trans	101.5	120.6	134	84.5	0	0	0	0	120.1
2164	R	25.4	Very low	27.6	Very low	235 Å²	235	126.1 Å²	126.1	89%	0.887	68%	0.681	S	S	*	*			trans	79.1	150.5	152.7	-66.7	178.5	174.1	-173.3	-1.6	118.8
2165	P	27.8	Very low	27.4	Very low	114 Å²	114	125.1 Å²	125.1	74%	0.74	68%	0.679	S	S	*	*			trans	-82.5	145.5	-159.9	-13	31.8	0	0	0	113.8
2166	R	27.7	Very low	27.2	Very low	70 Å²	70	126.7 Å²	126.7	26%	0.264	68%	0.681	S	S	.	*			trans	-57.7	155.9	-178.1	-69.8	166.5	154	174.8	-9.4	114.8	S1815 M1953 S1954	S1815-R2166 PolarHBondContact OG-NH1 3.27Å; M1953-R2166 HydrophobicContact CE-CG 4.25Å; M1953-R2166 PolarHBondContact SD-NE 2.84Å; M1953-R2166 VanDerWaalsContact SD-NE 3.38Å; M1953-R2166 PolarHBondContact SD-NH2 2.83Å; S1954-R2166 PolarHBondContact OG-NH1 2.74Å; S1954-R2166 PolarHBondContact OG-NH2 3.33Å
2167	H	27.6	Very low	27.2	Very low	92 Å²	92	125.9 Å²	125.9	43%	0.426	68%	0.677	S	S	.	*			trans	-139.6	138	132.8	-123.9	-66.8	0	0	0	113.4	S1811 N1812 I1813	S1811-H2167 WeakPolarHBondContact CA-NE2 3.11Å; S1811-H2167 WeakPolarHBondContact CB-CE1 3.42Å; S1811-H2167 VanDerWaalsContact CB-NE2 3.26Å; S1811-H2167 WeakPolarHBondContact CB-NE2 3.35Å; S1811-H2167 PolarHBondContact O-NE2 2.75Å; S1811-H2167 PolarHBondContact OG-CE1 3.27Å; S1811-H2167 PolarHBondContact OG-NE2 2.87Å; N1812-H2167 WeakPolarHBondContact CA-NE2 3.46Å; N1812-H2167 PolarHBondContact N-NE2 3.3Å; N1812-H2167 PolarHBondContact O-CE1 3.01Å; N1812-H2167 PolarHBondContact O-NE2 3.25Å; I1813-H2167 VanDerWaalsContact CD1-CE1 3.45Å; I1813-H2167 WeakPolarHBondContact CD1-CE1 3.27Å; I1813-H2167 PolarHBondContact N-NE2 3.29Å
2168	R	29.9	Very low	26.9	Very low	163 Å²	163	127.5 Å²	127.5	62%	0.615	68%	0.679	S	S	*	*			trans	25.9	108.5	166.7	-75.6	170.9	173.8	162.2	-1.5	122.1
2169	I	30.8	Very low	26.8	Very low	164 Å²	164	127.8 Å²	127.8	84%	0.841	68%	0.677	S	S	*	*				49.3	134.5	104.1	-61.7	175	0	0	0	119.9
2170	M	27.5	Very low	26.6	Very low	160 Å²	160	132.7 Å²	132.7	79%	0.788	68%	0.684	S	S	*	*			trans	-51.5	138.5	176.5	-58.7	168.2	178.1	0	0	117.2
2171	N	28	Very low	26.7	Very low	135 Å²	135	130.1 Å²	130.1	72%	0.722	68%	0.68	S	S	*	*				28.3	145.3	96.5	-81	-11.6	0	0	0	119.1
2172	Q	28.2	Very low	26.5	Very low	176 Å²	176	133.2 Å²	133.2	82%	0.822	70%	0.695	S	S	*	*			cis	-165.8	160.1	-15.2	-138.6	177.8	73.7	0	0	109.7
2173	G	28	Very low	26.5	Very low	68 Å²	68	137.1 Å²	137.1	70%	0.701	71%	0.705	S	S	*	*			trans	-167	88.2	177.4	0	0	0	0	0	115.3
2174	I	27.3	Very low	26.4	Very low	178 Å²	178	137.7 Å²	137.7	91%	0.913	71%	0.705	S	S	*	*			trans	26.2	119.1	147.1	-48.5	171.2	0	0	0	117
2175	G	23.9	Very low	26.5	Very low	62 Å²	62	133.6 Å²	133.6	64%	0.639	70%	0.697	S	S	*	*			cis	171.8	-174.4	3	0	0	0	0	0	112.2
2176	Q	24.7	Very low	26.8	Very low	181 Å²	181	132 Å²	132	85%	0.846	69%	0.687	S	S	*	*	S	Bend	trans	68.8	128.1	-165	-55.4	-174.8	14.5	0	0	113.6
2177	N	27.1	Very low	27.1	Very low	133 Å²	133	136.4 Å²	136.4	71%	0.711	71%	0.708	S	S	*	*			cis	-122.6	127	-15.2	-71.4	-50.2	0	0	0	107.3
2178	L	24.7	Very low	27.2	Very low	141 Å²	141	139.7 Å²	139.7	74%	0.738	72%	0.722	S	S	*	*				53	110.8	77.2	-87.2	174.7	0	0	0	114.2
2179	T	23.2	Very low	27	Very low	113 Å²	113	138.6 Å²	138.6	69%	0.693	72%	0.723	S	S	*	*			trans	66.1	130.2	149.7	48.5	0	0	0	0	117.9
2180	Y	23.6	Very low	27.1	Very low	213 Å²	213	134.4 Å²	134.4	84%	0.835	72%	0.721	S	S	*	*				59	147.8	66.9	-88.2	-124.4	0	0	0	112.7
2181	P	28.9	Very low	27	Very low	85 Å²	85	131.9 Å²	131.9	55%	0.552	71%	0.71	S	S	*	*			cis	-147.1	-168.8	-21.5	33.8	-11.5	0	0	0	114.8
2182	Q	22.9	Very low	26.8	Very low	150 Å²	150	131.2 Å²	131.2	70%	0.701	71%	0.706	S	S	*	*			trans	70.1	179.1	137.2	-88.5	163.9	23.3	0	0	116.1
2183	Q	23.9	Very low	26.8	Very low	148 Å²	148	130.2 Å²	130.2	69%	0.692	71%	0.706	S	S	*	*			cis	-148.9	137.5	12.8	-146.2	154.6	60.5	0	0	112.3
2184	V	22.9	Very low	26.6	Very low	111 Å²	111	132.4 Å²	132.4	67%	0.673	70%	0.701	S	S	*	*			trans	67.4	139.1	141.6	157.1	0	0	0	0	116.3	P2186	V2184-P2186 HydrophobicContact CG1-CB 4.46Å; V2184-P2186 HydrophobicContact CG1-CG 3.92Å
2185	M	28.5	Very low	26.8	Very low	149 Å²	149	128.2 Å²	128.2	73%	0.734	69%	0.686	S	S	*	*				58.9	176	60.3	-80.6	-72	179	0	0	111.1	F2188	M2185-F2188 HydrophobicContact CE-CE2 4.36Å
2186	P	34.7	Very low	26.8	Very low	79 Å²	79	131 Å²	131	51%	0.513	69%	0.69	S	S	.	*			cis	-129.6	-163.8	6.2	23.6	3.7	0	0	0	113.7	V2184	V2184-P2186 HydrophobicContact CG1-CB 4.46Å; V2184-P2186 HydrophobicContact CG1-CG 3.92Å
2187	F	31.9	Very low	26.7	Very low	163 Å²	163	129.6 Å²	129.6	72%	0.715	69%	0.686	S	S	*	*			trans	69.6	101.7	171.1	-55.7	-63.5	0	0	0	114.4
2188	F	30.6	Very low	26.6	Very low	162 Å²	162	128.9 Å²	128.9	71%	0.711	68%	0.681	S	S	*	*			cis	53	111.8	28.9	-81.3	-85.9	0	0	0	114.2	M2185	M2185-F2188 HydrophobicContact CE-CE2 4.36Å
2189	H	26.6	Very low	26.6	Very low	139 Å²	139	128.4 Å²	128.4	64%	0.644	68%	0.675	S	S	*	*				-166.4	78.8	120.2	-99.6	-53.5	0	0	0	112.1	N2191	H2189-N2191 PolarHBondContact CE1-OD1 3.42Å; H2189-N2191 PolarHBondContact ND1-OD1 2.96Å
2190	G	32.3	Very low	26.5	Very low	77 Å²	77	129.9 Å²	129.9	79%	0.794	67%	0.674	S	S	*	*			trans	-100.6	107	146.9	0	0	0	0	0	106.9
2191	N	24.7	Very low	26.5	Very low	106 Å²	106	126.7 Å²	126.7	57%	0.567	67%	0.666	S	S	*	*			trans	-102.8	148.8	-170.2	-111.5	9.1	0	0	0	111.3	H2189	H2189-N2191 PolarHBondContact CE1-OD1 3.42Å; H2189-N2191 PolarHBondContact ND1-OD1 2.96Å
2192	L	23.6	Very low	26.3	Very low	122 Å²	122	128.9 Å²	128.9	64%	0.639	67%	0.673	S	S	*	*			trans	53.4	130	144.2	-56	167.4	0	0	0	117.2
2193	L	28.3	Very low	26.3	Very low	154 Å²	154	128.4 Å²	128.4	81%	0.806	67%	0.671	S	S	*	*				-141.8	116.2	61	-78.7	162.8	0	0	0	109.2
2194	N	24.5	Very low	26.5	Very low	114 Å²	114	126.5 Å²	126.5	61%	0.61	67%	0.666	S	S	*	*				85	141.2	83.3	-97.8	0.4	0	0	0	113.1
2195	P	31.2	Very low	26.8	Very low	90 Å²	90	127 Å²	127	58%	0.584	67%	0.67	S	S	*	*			cis	-141.7	179.1	-18.2	34.5	-13.8	0	0	0	114.8
2196	T	25	Very low	26.6	Very low	120 Å²	120	126.6 Å²	126.6	74%	0.736	67%	0.669	S	S	*	*			trans	65	149	144.4	46.2	0	0	0	0	120.4
2197	M	22.5	Very low	26.3	Very low	152 Å²	152	129.3 Å²	129.3	75%	0.749	68%	0.678	S	S	*	*			cis	-177.2	-177.7	-26.9	-122.5	-170.3	117.5	0	0	107.7
2198	I	24.3	Very low	26.1	Very low	119 Å²	119	125.8 Å²	125.8	61%	0.61	67%	0.674	S	S	*	*			trans	77.1	122.5	139.4	-90.8	163.9	0	0	0	118.6
2199	Q	24.1	Very low	26	Very low	131 Å²	131	126.4 Å²	126.4	61%	0.612	68%	0.679	S	S	*	*			trans	66.9	123.6	146	-65.3	-172.9	-86.2	0	0	117.7
2200	Q	21.3	Very low	26.3	Very low	143 Å²	143	127.1 Å²	127.1	67%	0.668	69%	0.687	S	S	*	*				65.1	148.2	62.8	-67.5	-176.4	-31.6	0	0	112.8
2201	Q	24.1	Very low	26.2	Very low	146 Å²	146	128.4 Å²	128.4	68%	0.682	68%	0.681	S	S	*	*			trans	74.8	139.6	158.9	-75.5	172.6	6.8	0	0	112.7
2202	N	23.4	Very low	26.5	Very low	131 Å²	131	129.3 Å²	129.3	70%	0.701	69%	0.69	S	S	*	*				52	132.3	68.8	-73.4	-17.1	0	0	0	109.5
2203	Q	24.6	Very low	26.9	Very low	140 Å²	140	126.7 Å²	126.7	65%	0.654	69%	0.693	S	S	*	*			cis	-169.8	-176.7	26.2	-134.2	162.8	34.6	0	0	109.3
2204	N	27.9	Very low	26.8	Very low	109 Å²	109	125.4 Å²	125.4	58%	0.583	69%	0.692	S	S	*	*			trans	59.3	104	147.6	-60.1	-15.9	0	0	0	116.5
2205	T	29.5	Very low	26.9	Very low	122 Å²	122	124.3 Å²	124.3	75%	0.748	70%	0.698	S	S	*	*			cis	50.3	120	33.5	-32.7	0	0	0	0	112.1
2206	L	24.4	Very low	26.7	Very low	140 Å²	140	123.2 Å²	123.2	73%	0.733	70%	0.704	S	S	*	*			trans	68.6	132.5	-164.4	-41.9	140.4	0	0	0	109.7
2207	I	27.5	Very low	26.6	Very low	135 Å²	135	124 Å²	124	69%	0.692	70%	0.702	S	S	*	*			cis	-132.2	116.1	28.2	-68.7	165.6	0	0	0	107	Q2209	I2207-Q2209 HydrophobicContact CG2-CB 4.41Å
2208	S	26.9	Very low	26.6	Very low	89 Å²	89	123.7 Å²	123.7	62%	0.622	70%	0.704	S	S	*	*				57.4	49.4	62.8	87.6	0	0	0	0	114.1
2209	Q	29.5	Very low	26.5	Very low	175 Å²	175	122.6 Å²	122.6	82%	0.818	71%	0.706	S	S	*	*			trans	-143.4	77.9	160.5	-132.9	144.4	108.4	0	0	113.6	I2207	I2207-Q2209 HydrophobicContact CG2-CB 4.41Å
2210	L	32.9	Very low	26.5	Very low	155 Å²	155	123.1 Å²	123.1	81%	0.812	70%	0.704	S	S	*	*			trans	-55.1	159.1	132.2	-62.9	107.4	0	0	0	108.7
2211	P	30.2	Very low	26.6	Very low	103 Å²	103	124.6 Å²	124.6	67%	0.669	70%	0.703	S	S	*	*			cis	-139	-168.4	23.2	37.2	-15.4	0	0	0	115
2212	T	29.9	Very low	26.6	Very low	125 Å²	125	122.3 Å²	122.3	77%	0.767	70%	0.695	S	S	*	*			trans	70.3	151.4	172.5	81.3	0	0	0	0	117
2213	G	33.2	Very low	26.7	Very low	68 Å²	68	123.3 Å²	123.3	70%	0.701	70%	0.696	S	S	*	*			cis	-101	121.3	-20.8	0	0	0	0	0	109.5
2214	T	26.6	Very low	26.7	Very low	127 Å²	127	121.5 Å²	121.5	78%	0.779	69%	0.69	S	S	*	*				58.3	132.8	66.5	66.5	0	0	0	0	114.1
2215	A	25.2	Very low	26.7	Very low	90 Å²	90	123.6 Å²	123.6	74%	0.744	70%	0.701	S	S	*	*			cis	-165.5	175.4	-10	0	0	0	0	0	108.9	I2217	A2215-I2217 HydrophobicContact CB-CD1 4.42Å
2216	G	26.8	Very low	26.6	Very low	68 Å²	68	123.6 Å²	123.6	70%	0.701	70%	0.7	S	S	*	*			trans	110.6	90.3	-164.4	0	0	0	0	0	108.1
2217	I	23.7	Very low	26.6	Very low	137 Å²	137	121.7 Å²	121.7	70%	0.703	69%	0.691	S	S	*	*			cis	66.1	117.7	27.4	-52.6	171	0	0	0	112.3	A2215	A2215-I2217 HydrophobicContact CB-CD1 4.42Å
2218	N	23	Very low	26.6	Very low	145 Å²	145	123.6 Å²	123.6	78%	0.775	69%	0.694	S	S	*	*			trans	67	143	171.2	-64.2	-14.1	0	0	0	118.1
2219	S	22.7	Very low	26.6	Very low	95 Å²	95	123.6 Å²	123.6	66%	0.664	69%	0.694	S	S	*	*			trans	69.5	129.5	148.6	77.7	0	0	0	0	118.7
2220	Y	23.5	Very low	26.5	Very low	143 Å²	143	120.1 Å²	120.1	56%	0.561	68%	0.681	S	S	*	*			trans	64.1	121.6	148.5	-62.4	-49.5	0	0	0	117.8	Q1704	Q1704-Y2220 WeakPolarHBondContact CG-OH 3.11Å; Q1704-Y2220 PolarHBondContact NE2-OH 3.38Å; Q1704-Y2220 PolarHBondContact OE1-OH 2.99Å
2221	R	23.2	Very low	26.5	Very low	173 Å²	173	115.1 Å²	115.1	65%	0.653	66%	0.658	S	S	*	*				72	146.3	65.8	-176.9	-145.3	-176.8	178.6	4.9	110.1
2222	L	23.7	Very low	26.2	Very low	99 Å²	99	115.5 Å²	115.5	52%	0.518	65%	0.651	S	S	.	*			trans	78.3	138.9	178.8	-47	178.7	0	0	0	113.4	D2224	L2222-D2224 WeakPolarHBondContact CA-OD2 3.18Å; L2222-D2224 VanDerWaalsContact CD2-OD2 3.26Å; L2222-D2224 WeakPolarHBondContact CD2-OD2 3.31Å
2223	Q	27.1	Very low	26.1	Very low	152 Å²	152	112.9 Å²	112.9	71%	0.71	64%	0.643	S	S	*	*			cis	-122.5	137.9	-15.2	-100.3	114	-2.9	0	0	108.4
2224	D	24.2	Very low	25.6	Very low	102 Å²	102	113.5 Å²	113.5	55%	0.545	63%	0.629	S	S	.	*			cis	72.9	160.7	42.5	-47.9	-32.4	0	0	0	113	L2222	L2222-D2224 WeakPolarHBondContact CA-OD2 3.18Å; L2222-D2224 VanDerWaalsContact CD2-OD2 3.26Å; L2222-D2224 WeakPolarHBondContact CD2-OD2 3.31Å
2225	L	27.3	Very low	26.2	Very low	152 Å²	152	112.3 Å²	112.3	80%	0.796	62%	0.624	S	S	*	*			trans	86.9	100.8	-167.6	-55.8	168.9	0	0	0	113.2
2226	V	28.3	Very low	26	Very low	122 Å²	122	112.4 Å²	112.4	74%	0.739	63%	0.625	S	S	*	*	S	Bend	cis	-144.6	116.5	1.9	171.2	0	0	0	0	105
2227	D	24.2	Very low	25.8	Very low	101 Å²	101	112.9 Å²	112.9	54%	0.54	62%	0.622	S	S	.	*				62.7	131	83.4	-78.4	-25.1	0	0	0	112.7
2228	F	27.2	Very low	25.8	Very low	174 Å²	174	109 Å²	109	76%	0.763	61%	0.61	S	S	*	*			cis	-138	135.4	8.1	-98.7	-81.8	0	0	0	111.6
2229	S	26.6	Very low	25.8	Very low	89 Å²	89	106.2 Å²	106.2	62%	0.622	61%	0.607	S	S	*	*				49	134.8	120.5	-70.2	0	0	0	0	122.9
2230	N	27.9	Very low	25.8	Very low	102 Å²	102	105.9 Å²	105.9	55%	0.545	61%	0.61	S	S	.	*			cis	53.6	129.9	12.3	-45.9	85.2	0	0	0	118.1	E1730	E1730-N2230 WeakPolarHBondContact OE1-CA 3.48Å; E1730-N2230 WeakPolarHBondContact OE1-CB 3.44Å; E1730-N2230 PolarHBondContact OE1-N 3.36Å; E1730-N2230 PolarHBondContact OE1-ND2 2.81Å; E1730-N2230 WeakPolarHBondContact OE2-CB 3.4Å; E1730-N2230 PolarHBondContact OE2-ND2 2.7Å
2231	P	32.4	Very low	25.8	Very low	51 Å²	51	103.1 Å²	103.1	33%	0.331	62%	0.617	S	S	.	*			cis	-133	-151	-14.8	41.6	-20.5	0	0	0	111.9	S1728 N1729 E1730	S1728-P2231 CarbonylContact C-O 3.18Å; S1728-P2231 VanDerWaalsContact CB-O 3.31Å; S1728-P2231 WeakPolarHBondContact CB-O 3.22Å; S1728-P2231 VanDerWaalsContact O-O 3.05Å; S1728-P2231 PolarHBondContact OG-O 3.14Å; N1729-P2231 CarbonylContact O-C 3.36Å; E1730-P2231 HydrophobicContact CB-CB 3.78Å; E1730-P2231 WeakPolarHBondContact OE2-CB 3.49Å
2232	Q	23.1	Very low	25.7	Very low	110 Å²	110	100.4 Å²	100.4	51%	0.514	62%	0.624	S	S	.	*			cis	-156.4	179.9	-5.8	-138.8	153	97.3	0	0	107	S1728 N1729 E1730 K1731	S1728-Q2232 CarbonylContact C-O 3.59Å; S1728-Q2232 PolarHBondContact O-N 3.4Å; N1729-Q2232 PolarHBondContact N-O 2.81Å; E1730-Q2232 VanDerWaalsContact N-CA 3.31Å; K1731-Q2232 HydrophobicContact CB-CG 4.28Å
2233	A	27.3	Very low	25.7	Very low	71 Å²	71	102.7 Å²	102.7	59%	0.587	64%	0.636	S	S	*	*	B	Isolated β-bridge	cis	-145.2	-133.8	7.2	0	0	0	0	0	109.2	E1730	E1730-A2233 CarbonylContact O-C 3.21Å; E1730-A2233 WeakPolarHBondContact O-CA 3.46Å; E1730-A2233 PolarHBondContact O-N 2.86Å; E1730-A2233 VanDerWaalsContact O-O 3.12Å
2234	L	24.1	Very low	25.7	Very low	80 Å²	80	102 Å²	102	42%	0.419	64%	0.637	S	S	.	*			trans	-141.7	-164.3	-164.3	-148.9	71.8	0	0	0	110.7	D1733	D1733-L2234 VanDerWaalsContact N-CD2 3.25Å
2235	P	38.6	Very low	25.7	Very low	103 Å²	103	103 Å²	103	67%	0.669	64%	0.642	S	S	*	*				-122.3	-165.2	-104.9	44.7	-29.8	0	0	0	114.9
2236	A	21.3	Very low	25.5	Very low	92 Å²	92	103.5 Å²	103.5	76%	0.76	64%	0.638	S	S	*	*			trans	88.7	131.4	152.5	0	0	0	0	0	120.5
2237	A	22.6	Very low	25.3	Very low	77 Å²	77	107.6 Å²	107.6	64%	0.636	64%	0.64	S	S	*	*			trans	64.3	110.2	139.7	0	0	0	0	0	121.9	V1768	V1768-A2237 HydrophobicContact CG2-CB 4.13Å
2238	A	23.2	Very low	25.5	Very low	55 Å²	55	108.1 Å²	108.1	46%	0.455	65%	0.651	S	S	.	*				92.3	126.8	119.3	0	0	0	0	0	122.3	G1767 V1768	G1767-A2238 VanDerWaalsContact C-CB 3.41Å; V1768-A2238 HydrophobicContact CG2-CB 4.02Å; V1768-A2238 VanDerWaalsContact N-CB 3.32Å
2239	A	23.6	Very low	25.4	Very low	88 Å²	88	103.8 Å²	103.8	73%	0.727	64%	0.643	S	S	*	*			trans	65	153.2	155.4	0	0	0	0	0	117.4
2240	A	23	Very low	25.6	Very low	88 Å²	88	107 Å²	107	73%	0.727	65%	0.653	S	S	*	*			cis	-126.4	136.2	1.9	0	0	0	0	0	108.7
2241	A	23	Very low	25.4	Very low	85 Å²	85	107.8 Å²	107.8	70%	0.702	66%	0.657	S	S	*	*				70.5	140.4	74.3	0	0	0	0	0	115
2242	S	21.9	Very low	25.3	Very low	115 Å²	115	112.9 Å²	112.9	80%	0.804	68%	0.682	S	S	*	*			trans	72.4	144.7	-178	-55.8	0	0	0	0	115.1
2243	L	23.1	Very low	25.7	Very low	147 Å²	147	114.5 Å²	114.5	77%	0.77	69%	0.689	S	S	*	*			cis	-160.5	163.4	8	-129.7	166.2	0	0	0	110.5
2244	L	26.7	Very low	25.6	Very low	139 Å²	139	119 Å²	119	73%	0.728	70%	0.704	S	S	*	*			trans	74.9	117.7	172.1	-51.1	172.2	0	0	0	114.9
2245	L	23.4	Very low	25.7	Very low	123 Å²	123	118.6 Å²	118.6	64%	0.644	70%	0.701	S	S	*	*				69	137.6	72.1	-66.2	177.7	0	0	0	112.8
2246	F	24.8	Very low	25.1	Very low	162 Å²	162	118.5 Å²	118.5	71%	0.711	71%	0.709	S	S	*	*			cis	-161.4	149	27.6	-125.4	-58.2	0	0	0	112.2
2247	R	23.7	Very low	25.4	Very low	207 Å²	207	118 Å²	118	78%	0.781	71%	0.705	S	S	*	*			trans	63	164.4	161.2	-86.2	167.3	176	166.5	-2.9	116.3
2248	S	28.8	Very low	25.6	Very low	112 Å²	112	117.4 Å²	117.4	78%	0.783	69%	0.691	S	S	*	*			cis	-118.1	158.2	12.6	52.2	0	0	0	0	115.7
2249	S	24.1	Very low	25.8	Very low	83 Å²	83	117.5 Å²	117.5	58%	0.58	68%	0.683	S	S	*	*			trans	-94.9	157.6	160.8	52	0	0	0	0	109.7
2250	D	30.1	Very low	25.9	Very low	158 Å²	158	120.7 Å²	120.7	85%	0.845	68%	0.677	S	S	*	*			trans	-146.2	139	142.5	-80.1	-48.4	0	0	0	109.6
2251	D	24.7	Very low	26.1	Very low	117 Å²	117	121 Å²	121	63%	0.626	67%	0.669	S	S	*	*			trans	-129.8	116.6	176.1	-94.4	-44.5	0	0	0	105.4
2252	D	31.1	Very low	26.3	Very low	158 Å²	158	121.1 Å²	121.1	85%	0.845	66%	0.658	S	S	*	*			trans	-160.9	163.1	174	-101.5	-22.1	0	0	0	111.2
2253	E	30.9	Very low	26.6	Very low	145 Å²	145	120.4 Å²	120.4	68%	0.678	64%	0.642	S	S	*	*				-147.3	170.5	-68.5	-140	-161.3	-164	0	0	108	L2255	E2253-L2255 WeakPolarHBondContact OE2-CB 3.49Å
2254	D	25	Very low	26.8	Very low	166 Å²	166	122.6 Å²	122.6	89%	0.888	64%	0.64	S	S	*	*			trans	-139.3	74.8	177	-136.5	-15.7	0	0	0	108.7
2255	L	26.8	Very low	26.9	Very low	70 Å²	70	122.4 Å²	122.4	37%	0.366	64%	0.639	S	S	.	*			trans	-157	70	-172.8	-123.6	170.3	0	0	0	117.4	P917 E2253	P917-L2255 HydrophobicContact CG-CD1 3.84Å; P917-L2255 HydrophobicContact CG-CD2 3.88Å; P917-L2255 HydrophobicContact CG-CG 4.11Å; E2253-L2255 WeakPolarHBondContact OE2-CB 3.49Å
2256	A	26.5	Very low	27.1	Very low	101 Å²	101	120.7 Å²	120.7	84%	0.835	64%	0.642	S	S	*	*			trans	-128.2	136.4	163.5	0	0	0	0	0	110.8
2257	A	27.1	Very low	27.3	Very low	81 Å²	81	119.9 Å²	119.9	67%	0.669	65%	0.645	S	S	*	*			cis	-165.2	-179.3	-4.6	0	0	0	0	0	112.1
2258	I	26.4	Very low	27.4	Very low	66 Å²	66	114.8 Å²	114.8	34%	0.338	64%	0.641	S	S	.	*			trans	145.8	164.1	150.9	-78.1	162.7	0	0	0	112	R909 A914 T915	R909-I2258 VanDerWaalsContact NH2-CD1 3.28Å; A914-I2258 CarbonylContact C-O 3.59Å; A914-I2258 HydrophobicContact CB-CB 3.67Å; A914-I2258 HydrophobicContact CB-CG2 3.56Å; A914-I2258 WeakPolarHBondContact CB-O 3.37Å; T915-I2258 PolarHBondContact N-O 2.83Å; T915-I2258 VanDerWaalsContact N-O 3.13Å
2259	D	26.3	Very low	27.4	Very low	57 Å²	57	117.4 Å²	117.4	31%	0.305	63%	0.633	S	S	.	*			cis	149	109.6	-48.3	-173.7	16.7	0	0	0	117.1	E1606	E1606-D2259 HydrophobicContact CB-CB 4.47Å; E1606-D2259 WeakPolarHBondContact CB-OD1 3.32Å; E1606-D2259 PolarHBondContact N-OD1 3.41Å; E1606-D2259 WeakPolarHBondContact OE2-CA 3.49Å; E1606-D2259 PolarHBondContact OE2-N 3.24Å; E1606-D2259 VanDerWaalsContact OE2-N 3.16Å
2260	R	25.6	Very low	27.7	Very low	155 Å²	155	120.4 Å²	120.4	59%	0.585	64%	0.642	S	S	*	*				-174.5	48.2	113.4	-85.2	-72	132.4	132.8	3.6	120.8	G1604 S1605 E1606	G1604-R2260 CarbonylContact C-O 3.12Å; G1604-R2260 WeakPolarHBondContact CA-O 3.23Å; S1605-R2260 PolarHBondContact N-O 2.85Å; S1605-R2260 VanDerWaalsContact O-CD 3.31Å; S1605-R2260 WeakPolarHBondContact O-CD 3.48Å; S1605-R2260 PolarHBondContact O-NE 3.39Å; E1606-R2260 PolarHBondContact OE2-N 2.85Å
2261	V	27.8	Very low	27.7	Very low	94 Å²	94	119.2 Å²	119.2	57%	0.57	64%	0.641	S	S	*	*			trans	-162.1	123.7	171.7	60.2	0	0	0	0	117.3	E1606	E1606-V2261 HydrophobicContact CG-CG1 4.43Å; E1606-V2261 WeakPolarHBondContact CG-O 3.38Å
2262	N	28	Very low	27.9	Very low	87 Å²	87	116.5 Å²	116.5	47%	0.465	64%	0.641	S	S	.	*			cis	68.5	152.4	-0.7	-122.8	11.8	0	0	0	121.4	S1605	S1605-N2262 WeakPolarHBondContact CB-ND2 3.26Å; S1605-N2262 WeakPolarHBondContact OG-CB 3.46Å; S1605-N2262 PolarHBondContact OG-ND2 3.45Å; S1605-N2262 VanDerWaalsContact OG-ND2 3.12Å
2263	Q	28.1	Very low	27.9	Very low	100 Å²	100	116 Å²	116	47%	0.467	64%	0.638	S	S	.	*			cis	-166.4	147.9	47	-154.9	-176.6	81.9	0	0	118	S1605	S1605-Q2263 PolarHBondContact OG-NE2 2.96Å
2264	R	28	Very low	27.8	Very low	194 Å²	194	117.4 Å²	117.4	73%	0.732	64%	0.642	S	S	*	*			trans	80	144.2	140.7	-103.9	177	-169.4	155.3	-10.6	126.8
2265	L	27.8	Very low	27.9	Very low	135 Å²	135	114.7 Å²	114.7	71%	0.707	63%	0.632	S	S	*	*			trans	73.8	144.2	153.6	-65.4	164.5	0	0	0	118.8	L2267	L2265-L2267 HydrophobicContact CD2-CD1 3.53Å; L2265-L2267 HydrophobicContact CD2-CG 4.09Å
2266	A	28.5	Very low	27.9	Very low	86 Å²	86	117.8 Å²	117.8	71%	0.711	65%	0.649	S	S	*	*			cis	-124.1	151.2	0.3	0	0	0	0	0	110
2267	L	27.4	Very low	27.8	Very low	146 Å²	146	117.7 Å²	117.7	76%	0.764	64%	0.638	S	S	*	*				57.9	137.1	57	-55.9	-177.7	0	0	0	111.8	L2265	L2265-L2267 HydrophobicContact CD2-CD1 3.53Å; L2265-L2267 HydrophobicContact CD2-CG 4.09Å
2268	S	27.1	Very low	27.6	Very low	100 Å²	100	120.3 Å²	120.3	70%	0.699	64%	0.641	S	S	*	*			cis	-173.8	-171.6	40.9	62.2	0	0	0	0	109.9
2269	R	28.4	Very low	27.6	Very low	166 Å²	166	125.1 Å²	125.1	63%	0.626	66%	0.662	S	S	*	*			cis	-171.7	177.7	5.6	-140.5	165.4	-162.3	-160.5	6.1	111.1	D825	D825-R2269 IonicContact OD2-NH1 3Å
2270	L	29.7	Very low	27.5	Very low	147 Å²	147	128.9 Å²	128.9	77%	0.77	68%	0.681	S	S	*	*			trans	73.7	147.7	160	-55.1	143.8	0	0	0	116.5
2271	T	30.1	Very low	27.5	Very low	132 Å²	132	128 Å²	128	81%	0.81	69%	0.686	S	S	*	*			cis	-166	160	-8.4	16.9	0	0	0	0	108.8
2272	G	30	Very low	27.4	Very low	61 Å²	61	129.4 Å²	129.4	63%	0.629	69%	0.691	S	S	*	*			cis	158.9	152.5	-5.8	0	0	0	0	0	113.6
2273	N	29.8	Very low	27.3	Very low	148 Å²	148	131.5 Å²	131.5	79%	0.791	70%	0.702	S	S	*	*			trans	64	159.3	165.9	-54.2	-0.4	0	0	0	117.4
2274	F	28.6	Very low	27.1	Very low	174 Å²	174	137.2 Å²	137.2	76%	0.763	72%	0.721	S	S	*	*			cis	-152.2	149.3	31.4	-105.6	-92.9	0	0	0	113.2
2275	T	26.9	Very low	27.5	Very low	108 Å²	108	132.8 Å²	132.8	66%	0.663	72%	0.717	S	S	*	*			trans	25.8	157.7	136.1	65.7	0	0	0	0	123.1
2276	D	27.1	Very low	27.5	Very low	135 Å²	135	132.7 Å²	132.7	72%	0.722	72%	0.717	S	S	*	*			cis	-159.7	-176.4	-0.9	-131.4	-65.4	0	0	0	114.4
2277	T	24.4	Very low	27.5	Very low	100 Å²	100	134.7 Å²	134.7	61%	0.613	72%	0.716	S	S	*	*			trans	-66.8	170.1	179.6	51.9	0	0	0	0	119.6
2278	N	23	Very low	27.4	Very low	136 Å²	136	135.2 Å²	135.2	73%	0.727	72%	0.718	S	S	*	*			trans	73.9	142	162.6	-52	-61.5	0	0	0	116.2
2279	Q	27.6	Very low	27.9	Very low	166 Å²	166	133.9 Å²	133.9	78%	0.776	72%	0.72	S	S	*	*			cis	-143.2	143.3	29.4	-79.9	-172	5.8	0	0	110.6
2280	L	24	Very low	28	Very low	137 Å²	137	131.3 Å²	131.3	72%	0.717	73%	0.725	S	S	*	*				73.8	147.3	70.2	-96.4	168.6	0	0	0	115.1
2281	I	25.6	Very low	27.8	Very low	135 Å²	135	129.8 Å²	129.8	69%	0.692	72%	0.722	S	S	*	*			trans	74	128.7	157.5	-71.2	161	0	0	0	115.7
2282	N	24.7	Very low	28	Very low	124 Å²	124	130.1 Å²	130.1	66%	0.663	72%	0.718	S	S	*	*			cis	-166.6	-172.2	-3.7	-128.7	31.8	0	0	0	113.5
2283	D	27.4	Very low	27.9	Very low	132 Å²	132	132.2 Å²	132.2	71%	0.706	72%	0.721	S	S	*	*			trans	72.3	87	150	-59.5	-18.7	0	0	0	120.3
2284	Y	22.7	Very low	27.8	Very low	220 Å²	220	131.5 Å²	131.5	86%	0.863	71%	0.712	S	S	*	*				-12.6	162.6	115	-78	-84.4	0	0	0	117.2
2285	P	37.2	Very low	27.6	Very low	100 Å²	100	130.3 Å²	130.3	65%	0.649	71%	0.709	S	S	*	*			cis	-136.8	-160.6	-3.5	25	0.9	0	0	0	113.3
2286	N	26.5	Very low	27.7	Very low	133 Å²	133	131.1 Å²	131.1	71%	0.711	71%	0.714	S	S	*	*				104.3	149.5	119.7	-116.6	-5.7	0	0	0	120.6
2287	L	29.3	Very low	27.8	Very low	129 Å²	129	131.5 Å²	131.5	68%	0.675	72%	0.716	S	S	*	*			trans	63.6	113.8	158.5	-58.8	165.5	0	0	0	116.3
2288	L	25.9	Very low	27.9	Very low	156 Å²	156	132.1 Å²	132.1	82%	0.817	72%	0.719	S	S	*	*				52.8	97.2	80.5	-77.7	146.5	0	0	0	112.2
2289	G	36.5	Very low	28.1	Very low	72 Å²	72	131.2 Å²	131.2	74%	0.742	72%	0.721	S	S	*	*			trans	-71	162.4	157.6	0	0	0	0	0	111.1
2290	P	30.9	Very low	27.8	Very low	113 Å²	113	131.6 Å²	131.6	73%	0.734	72%	0.723	S	S	*	*			trans	-134	169.6	148.4	37.9	-26	0	0	0	112.7
2291	T	26	Very low	28.1	Very low	114 Å²	114	129.3 Å²	129.3	70%	0.699	72%	0.716	S	S	*	*			trans	49.9	109.2	152.9	50.1	0	0	0	0	117.8
2292	L	33.3	Very low	28	Very low	140 Å²	140	131.2 Å²	131.2	73%	0.733	72%	0.722	S	S	*	*			cis	52.7	87.8	27.6	-142.3	-175.4	0	0	0	111.9
2293	P	28.1	Very low	28	Very low	105 Å²	105	129.7 Å²	129.7	68%	0.682	72%	0.721	S	S	*	*				-124.3	152.5	117.8	4.6	16.1	0	0	0	111.1
2294	H	28.2	Very low	28.1	Very low	132 Å²	132	130.5 Å²	130.5	61%	0.611	73%	0.725	S	S	*	*			cis	-159.4	163.5	-6.1	-114.7	-6.9	0	0	0	110.4
2295	Q	24.4	Very low	28.2	Very low	150 Å²	150	127.3 Å²	127.3	70%	0.701	72%	0.722	S	S	*	*			trans	24.7	136.9	134.3	-52.7	161.2	-5.4	0	0	117.8
2296	T	29.2	Very low	28.1	Very low	125 Å²	125	128 Å²	128	77%	0.767	73%	0.726	S	S	*	*			cis	-154.3	172.5	37.4	46.2	0	0	0	0	110
2297	L	29.4	Very low	28.6	Very low	143 Å²	143	126.4 Å²	126.4	75%	0.749	72%	0.723	S	S	*	*			cis	-150	125.7	-16.7	-109.8	162.5	0	0	0	107.6
2298	T	25.9	Very low	28.2	Very low	113 Å²	113	126 Å²	126	69%	0.693	73%	0.726	S	S	*	*			trans	6.1	164.2	135	70.4	0	0	0	0	121.2
2299	P	26.4	Very low	28.3	Very low	117 Å²	117	125.6 Å²	125.6	76%	0.76	72%	0.723	S	S	*	*			cis	-141.5	-172	-49.2	38.3	-18.4	0	0	0	113.7
2300	Q	23.1	Very low	27.9	Very low	174 Å²	174	130.9 Å²	130.9	81%	0.813	73%	0.729	S	S	*	*			trans	-53.6	179.6	150.4	-96.9	-171	19.4	0	0	114
2301	P	30	Very low	27.8	Very low	89 Å²	89	130.1 Å²	130.1	58%	0.578	72%	0.724	S	S	*	*			cis	-137.3	-149.2	-9.3	26.5	0.4	0	0	0	112.2
2302	Q	23.5	Very low	27.6	Very low	175 Å²	175	130.9 Å²	130.9	82%	0.818	72%	0.722	S	S	*	*			trans	77.3	141.3	152.7	-73.2	169.3	20.1	0	0	117.6
2303	S	25	Very low	27.2	Very low	91 Å²	91	134.9 Å²	134.9	64%	0.636	73%	0.727	S	S	*	*			cis	-168.5	-177.1	1.8	50.1	0	0	0	0	111.8
2304	L	28.6	Very low	27	Very low	150 Å²	150	134.6 Å²	134.6	79%	0.785	73%	0.728	S	S	*	*			trans	71.1	125.4	164.5	-57.7	165.8	0	0	0	116.2
2305	L	25.3	Very low	27.3	Very low	153 Å²	153	136 Å²	136	80%	0.801	74%	0.739	S	S	*	*			cis	66.9	138.9	32.9	-64.6	172.1	0	0	0	115.3
2306	P	34.7	Very low	27.5	Very low	115 Å²	115	133.9 Å²	133.9	75%	0.747	74%	0.738	S	S	*	*				-126.7	-104.5	-50.6	24.5	-2.6	0	0	0	115.7
2307	P	36.2	Very low	27.3	Very low	99 Å²	99	135.1 Å²	135.1	64%	0.643	74%	0.739	S	S	*	*				-128.5	-173.9	-119.6	37.7	-17.5	0	0	0	116.4
2308	T	21.9	Very low	27.2	Very low	119 Å²	119	133.3 Å²	133.3	73%	0.73	73%	0.734	S	S	*	*			trans	78.8	160.4	156.4	-0.6	0	0	0	0	118.5
2309	I	27.2	Very low	27.3	Very low	148 Å²	148	136.4 Å²	136.4	76%	0.759	74%	0.74	S	S	*	*			trans	69.4	101.2	157.8	-64	158.8	0	0	0	116.1
2310	Q	28.1	Very low	27.3	Very low	184 Å²	184	135.4 Å²	135.4	86%	0.86	74%	0.736	S	S	*	*			trans	-64.1	153.6	144.1	-55.7	-177.2	-11.7	0	0	108.3
2311	P	29.1	Very low	27.4	Very low	97 Å²	97	132.3 Å²	132.3	63%	0.63	73%	0.729	S	S	*	*				-157.8	159.4	93.8	42.4	-24.1	0	0	0	117.9
2312	I	22.9	Very low	27.4	Very low	129 Å²	129	134.9 Å²	134.9	66%	0.662	74%	0.736	S	S	*	*			trans	67.7	114.2	132	-73.3	172.9	0	0	0	120.8
2313	R	23.7	Very low	27.4	Very low	224 Å²	224	133.5 Å²	133.5	85%	0.845	73%	0.73	S	S	*	*			trans	65.8	155	136.3	-70.3	-178	-168.1	157.3	0.1	119.4
2314	S	24.7	Very low	27.4	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	73%	0.728	S	S	*	*			cis	-156.9	162.1	-6.4	33.2	0	0	0	0	112.4
2315	L	33.2	Very low	27.1	Very low	161 Å²	161	133.4 Å²	133.4	84%	0.843	72%	0.722	S	S	*	*			trans	-37.7	156.3	156	-65.8	138.8	0	0	0	113.6
2316	P	29.2	Very low	27.1	Very low	105 Å²	105	133.8 Å²	133.8	68%	0.682	72%	0.718	S	S	*	*				-124.9	140.7	117.7	0.6	20.1	0	0	0	115.2
2317	I	25.7	Very low	26.5	Very low	152 Å²	152	132.2 Å²	132.2	78%	0.779	71%	0.709	S	S	*	*				35.8	120.6	120.1	-31.5	164.9	0	0	0	115.3
2318	T	27.7	Very low	26	Very low	105 Å²	105	135.5 Å²	135.5	64%	0.644	72%	0.716	S	S	*	*				-161.2	144.3	62.7	47.6	0	0	0	0	114.4
2319	Q	28	Very low	26	Very low	178 Å²	178	134.2 Å²	134.2	83%	0.832	71%	0.712	S	S	*	*			trans	62.1	155.9	137	-68.7	172.1	-11.5	0	0	119.6
2320	S	25.5	Very low	25.8	Very low	95 Å²	95	132.5 Å²	132.5	66%	0.664	71%	0.708	S	S	*	*			cis	-166	163.9	-20.8	50.3	0	0	0	0	110.7
2321	T	25.1	Very low	25.6	Very low	110 Å²	110	129.4 Å²	129.4	68%	0.675	70%	0.702	S	S	*	*			trans	13.4	122.3	144.1	-33.6	0	0	0	0	119.1
2322	I	29.1	Very low	25.4	Very low	142 Å²	142	132.2 Å²	132.2	73%	0.728	71%	0.708	S	S	*	*				176.9	117.3	117.9	-93.6	163.4	0	0	0	105.9
2323	Q	24.3	Very low	25.5	Very low	147 Å²	147	132.7 Å²	132.7	69%	0.687	71%	0.712	S	S	*	*				57.9	136.9	85.3	-67.2	-177.4	-69	0	0	112.2
2324	T	24.9	Very low	25.6	Very low	98 Å²	98	130.5 Å²	130.5	60%	0.601	71%	0.712	S	S	*	*			cis	-164.2	175.8	3	8.8	0	0	0	0	110
2325	Q	22.4	Very low	25.6	Very low	140 Å²	140	130.9 Å²	130.9	65%	0.654	71%	0.71	S	S	*	*			trans	1.1	148.6	137.6	-46.2	152.9	-50.9	0	0	117.1
2326	F	26.1	Very low	25.1	Very low	162 Å²	162	130.2 Å²	130.2	71%	0.711	71%	0.707	S	S	*	*			cis	-143.2	148.6	24.2	-71.3	-96.6	0	0	0	107.7
2327	S	22.3	Very low	24.9	Very low	81 Å²	81	131.6 Å²	131.6	57%	0.566	71%	0.708	S	S	*	*				57.7	135.8	55	71.9	0	0	0	0	115.7
2328	H	25.4	Very low	24.9	Very low	169 Å²	169	129.7 Å²	129.7	78%	0.782	70%	0.699	S	S	*	*			trans	70.6	118.9	-177.2	-53.7	-72.3	0	0	0	114.3
2329	S	21.9	Very low	24.7	Very low	92 Å²	92	134.5 Å²	134.5	64%	0.643	71%	0.705	S	S	*	*			cis	108.9	164.7	28.7	70.9	0	0	0	0	112
2330	T	23.3	Very low	24.7	Very low	112 Å²	112	134.1 Å²	134.1	69%	0.687	70%	0.704	S	S	*	*			trans	74.8	101.4	161	20	0	0	0	0	119.3
2331	T	22.8	Very low	24.7	Very low	118 Å²	118	136 Å²	136	72%	0.724	71%	0.706	S	S	*	*				79.3	152.1	127.5	50.6	0	0	0	0	123.2
2332	M	25.6	Very low	24.7	Very low	156 Å²	156	136.8 Å²	136.8	77%	0.768	71%	0.706	S	S	*	*			trans	71.3	125.5	175.5	-55.9	-57	173.8	0	0	113.9
2333	N	23.8	Very low	24.7	Very low	139 Å²	139	135.7 Å²	135.7	74%	0.743	70%	0.701	S	S	*	*				52.8	117.8	69.7	-65.9	5.6	0	0	0	109.6
2334	E	25.9	Very low	24.7	Very low	179 Å²	179	134.9 Å²	134.9	84%	0.836	70%	0.7	S	S	*	*			cis	-153.6	174.1	47.2	-130.1	170.9	-152.6	0	0	115.3
2335	T	24.9	Very low	25.1	Very low	107 Å²	107	136.5 Å²	136.5	66%	0.656	70%	0.701	S	S	*	*			trans	-39.3	158.4	174.4	44.8	0	0	0	0	121.7
2336	L	23.4	Very low	25.8	Very low	148 Å²	148	137.3 Å²	137.3	78%	0.775	70%	0.704	S	S	*	*			trans	95.8	142.1	138.1	-79.8	156.5	0	0	0	122.1
2337	L	25.4	Very low	25.8	Very low	134 Å²	134	136.5 Å²	136.5	70%	0.702	71%	0.707	S	S	*	*			trans	76	110.1	152.1	-107.9	74.3	0	0	0	121.8
2338	N	24.8	Very low	26.5	Very low	112 Å²	112	136.7 Å²	136.7	60%	0.599	71%	0.707	S	S	*	*				61.3	129.3	123	-89.5	-25.4	0	0	0	121.5
2339	R	24.5	Very low	27	Very low	205 Å²	205	136 Å²	136	77%	0.774	70%	0.704	S	S	*	*				38.6	117.1	125.1	-55.5	169.7	176.8	-171.5	-2.5	116.7
2340	Q	27.3	Very low	27.3	Very low	171 Å²	171	139.2 Å²	139.2	80%	0.799	71%	0.713	S	S	*	*				-151.5	154.6	80.8	-97.5	170.3	6.5	0	0	107.3
2341	N	24.7	Very low	27.6	Very low	133 Å²	133	143.4 Å²	143.4	71%	0.711	72%	0.718	S	S	*	*				44.2	143.5	75.2	-49	-5.5	0	0	0	111
2342	N	25.1	Very low	27.8	Very low	127 Å²	127	141 Å²	141	68%	0.679	71%	0.706	S	S	*	*			cis	-167.5	-168.2	27.7	-153	-4.6	0	0	0	109.9
2343	I	29.5	Very low	27.9	Very low	120 Å²	120	142 Å²	142	62%	0.615	71%	0.709	S	S	*	*			trans	71.9	93.4	152	-69.5	157.4	0	0	0	113.5
2344	L	25.1	Very low	27.9	Very low	129 Å²	129	139.6 Å²	139.6	68%	0.675	70%	0.703	S	S	*	*				70.5	129.6	84.8	-89.1	72.2	0	0	0	112.4
2345	H	33.1	Very low	28	Very low	133 Å²	133	135.7 Å²	135.7	62%	0.616	70%	0.695	S	S	*	*				-171.4	144.4	86.6	-101.7	-78.4	0	0	0	112.8
2346	H	36.1	Very low	28.1	Very low	157 Å²	157	136 Å²	136	73%	0.727	70%	0.697	S	S	*	*			trans	60.3	119.9	150.1	-68.3	-50.1	0	0	0	119.8
2347	D	26.7	Very low	28.4	Very low	144 Å²	144	136.5 Å²	136.5	77%	0.77	70%	0.699	S	S	*	*			cis	55.3	131.2	14.1	-106.4	-11.2	0	0	0	115.7
2348	P	36.8	Very low	28.4	Very low	86 Å²	86	134.4 Å²	134.4	56%	0.558	70%	0.696	S	S	*	*			cis	-137.8	-172.1	11.2	43.3	-25	0	0	0	113.8
2349	H	36.2	Very low	28.7	Very low	155 Å²	155	135 Å²	135	72%	0.718	70%	0.703	S	S	*	*				-171.2	93.6	109.5	-106.1	-67.3	0	0	0	113	Y2351	H2349-Y2351 AromaticContact ND1-CD2 3.84Å
2350	N	27.6	Very low	28.7	Very low	158 Å²	158	131.8 Å²	131.8	85%	0.845	70%	0.701	S	S	*	*			trans	-73.2	136	152.3	-95.6	-49.7	0	0	0	109.3
2351	Y	30.6	Very low	28.9	Very low	200 Å²	200	128.2 Å²	128.2	78%	0.784	69%	0.693	S	S	*	*			trans	-143.1	135.5	149.6	-106.1	-101	0	0	0	108.2	H2349	H2349-Y2351 AromaticContact ND1-CD2 3.84Å
2352	S	26.8	Very low	29	Very low	67 Å²	67	129.9 Å²	129.9	47%	0.469	70%	0.697	S	S	.	*			cis	177.4	148	-22.2	54.9	0	0	0	0	107.5
2353	Q	26.8	Very low	29	Very low	178 Å²	178	127.6 Å²	127.6	83%	0.832	69%	0.69	S	S	*	*			trans	64.3	149.6	132.7	-71.2	173.9	17.9	0	0	119.9
2354	S	25	Very low	29	Very low	88 Å²	88	128.4 Å²	128.4	62%	0.615	70%	0.695	S	S	*	*			cis	-171	179.2	-9.7	48.9	0	0	0	0	111.2
2355	S	27	Very low	29	Very low	97 Å²	97	127.3 Å²	127.3	68%	0.678	69%	0.693	S	S	*	*			trans	86.2	140.9	139.1	85.6	0	0	0	0	115.5
2356	T	27	Very low	28.6	Very low	114 Å²	114	127 Å²	127	70%	0.699	70%	0.696	S	S	*	*			cis	-163.9	172	-1.7	-1.9	0	0	0	0	110.7
2357	I	29.5	Very low	28.2	Very low	158 Å²	158	125.6 Å²	125.6	81%	0.81	69%	0.693	S	S	*	*			trans	70.2	136.7	151.4	-73.5	157.7	0	0	0	114.2
2358	S	26.6	Very low	28.1	Very low	91 Å²	91	125 Å²	125	64%	0.636	69%	0.69	S	S	*	*			cis	-170.7	162.3	-10.3	-168.7	0	0	0	0	105.9
2359	T	31.3	Very low	27.5	Very low	123 Å²	123	127.5 Å²	127.5	76%	0.755	70%	0.698	S	S	*	*			cis	-152.2	157.3	17.5	-34.1	0	0	0	0	109.6
2360	N	23.1	Very low	27	Very low	138 Å²	138	126.2 Å²	126.2	74%	0.738	70%	0.696	S	S	*	*			trans	-58.8	157.1	153.5	-137.6	-15.7	0	0	0	108.9	Q2362	N2360-Q2362 PolarHBondContact OD1-N 3.06Å
2361	P	31.8	Very low	27	Very low	96 Å²	96	126.4 Å²	126.4	62%	0.623	69%	0.691	S	S	*	*				-150.1	154.8	68.5	41.6	-23.8	0	0	0	116.3
2362	Q	27.7	Very low	27.1	Very low	169 Å²	169	121.3 Å²	121.3	79%	0.79	69%	0.69	S	S	*	*			trans	67.7	158.8	134.6	-75.1	174.9	-19.4	0	0	118	N2360	N2360-Q2362 PolarHBondContact OD1-N 3.06Å
2363	S	25.6	Very low	27.4	Very low	78 Å²	78	122.5 Å²	122.5	55%	0.545	70%	0.697	S	S	.	*			cis	-177.1	178.9	-19.1	52.8	0	0	0	0	107.7
2364	I	28.7	Very low	27.3	Very low	138 Å²	138	120.6 Å²	120.6	71%	0.708	69%	0.69	S	S	*	*			trans	68.2	99.4	152.3	-75.8	163.9	0	0	0	111
2365	T	25.5	Very low	27.4	Very low	105 Å²	105	124.7 Å²	124.7	64%	0.644	70%	0.697	S	S	*	*				55.2	144.2	77.8	86.4	0	0	0	0	111.4
2366	D	25.3	Very low	27.3	Very low	126 Å²	126	124.5 Å²	124.5	67%	0.674	70%	0.696	S	S	*	*			cis	-159.8	-166.5	27.8	-126.7	-37	0	0	0	109
2367	I	26.4	Very low	27.2	Very low	129 Å²	129	128.1 Å²	128.1	66%	0.662	71%	0.705	S	S	*	*			trans	30.8	130.2	133.7	-60.1	162.6	0	0	0	118.2
2368	D	24.7	Very low	27	Very low	131 Å²	131	124.9 Å²	124.9	70%	0.701	70%	0.702	S	S	*	*			cis	-169.1	-176.5	-17	-95.1	-34.4	0	0	0	104.9
2369	D	24.7	Very low	26.9	Very low	138 Å²	138	126.2 Å²	126.2	74%	0.738	71%	0.711	S	S	*	*			trans	51.2	146	132.4	-95	-15.9	0	0	0	124.9
2370	I	26.2	Very low	26.8	Very low	129 Å²	129	123.6 Å²	123.6	66%	0.662	71%	0.708	S	S	*	*			trans	80.9	134.3	136.6	-74.3	166.7	0	0	0	119.5
2371	H	27.6	Very low	27.1	Very low	161 Å²	161	122 Å²	122	75%	0.745	71%	0.708	S	S	*	*			trans	60.4	95.1	163	-72.2	-38.4	0	0	0	120.2
2372	A	32.9	Very low	27	Very low	93 Å²	93	126.9 Å²	126.9	77%	0.769	72%	0.715	S	S	*	*				-54	135.6	112.2	0	0	0	0	0	108.8
2373	P	31.8	Very low	27	Very low	93 Å²	93	126.4 Å²	126.4	60%	0.604	71%	0.713	S	S	*	*				-155.7	-179.8	82.2	42.2	-23.5	0	0	0	116.9
2374	I	25.8	Very low	27.1	Very low	137 Å²	137	128.2 Å²	128.2	70%	0.703	72%	0.721	S	S	*	*			trans	69.3	117.6	139.7	-80.1	162	0	0	0	119.4
2375	K	26.5	Very low	27.1	Very low	175 Å²	175	126.3 Å²	126.3	76%	0.761	73%	0.726	S	S	*	*			trans	44.9	106.2	133.1	-54.3	-179	-177.2	179.8	0	117.1
2376	S	23.7	Very low	27.2	Very low	93 Å²	93	125.5 Å²	125.5	65%	0.65	73%	0.725	S	S	*	*				67.8	142.2	70.8	81	0	0	0	0	114.9
2377	Q	25	Very low	27.5	Very low	190 Å²	190	127.6 Å²	127.6	89%	0.888	73%	0.728	S	S	*	*			trans	70.2	146.2	174.6	-59.3	-179.5	-2.5	0	0	114.2
2378	A	25.3	Very low	27.6	Very low	90 Å²	90	130 Å²	130	74%	0.744	73%	0.73	S	S	*	*			cis	-157.4	-156.8	-22.9	0	0	0	0	0	105.7
2379	S	25.5	Very low	27.8	Very low	119 Å²	119	126.2 Å²	126.2	83%	0.832	71%	0.71	S	S	*	*			cis	-166.2	148.9	4.5	39	0	0	0	0	108.8
2380	G	29.4	Very low	27.9	Very low	67 Å²	67	122.9 Å²	122.9	69%	0.691	69%	0.689	S	S	*	*			trans	127.9	136.1	163.5	0	0	0	0	0	112.9
2381	S	29.6	Very low	28.2	Very low	105 Å²	105	127.6 Å²	127.6	73%	0.734	71%	0.705	S	S	*	*			cis	-174.3	149.6	-9.4	24.8	0	0	0	0	107.3
2382	Y	28.9	Very low	28.2	Very low	198 Å²	198	126 Å²	126	78%	0.776	70%	0.703	S	S	*	*			cis	-157.8	155.4	0.2	-113	-50.4	0	0	0	107.7
2383	E	27.1	Very low	28	Very low	160 Å²	160	127.7 Å²	127.7	75%	0.748	70%	0.7	S	S	*	*			trans	62.4	147.3	148.3	-63.2	-178.3	152.1	0	0	119.3
2384	T	29.3	Very low	27.7	Very low	115 Å²	115	129.6 Å²	129.6	71%	0.706	71%	0.705	S	S	*	*			cis	-161.7	149.5	-11.6	19.4	0	0	0	0	109.1
2385	A	28.9	Very low	27.9	Very low	99 Å²	99	129.2 Å²	129.2	82%	0.818	71%	0.705	S	S	*	*			trans	66.5	166.8	145.7	0	0	0	0	0	115.8
2386	S	26.4	Very low	27.9	Very low	88 Å²	88	126.3 Å²	126.3	62%	0.615	70%	0.702	S	S	*	*			cis	-167.4	143.3	-18.1	138.4	0	0	0	0	109.6
2387	K	31	Very low	28.2	Very low	169 Å²	169	128.5 Å²	128.5	74%	0.735	71%	0.705	S	S	*	*			trans	66.6	144	151.8	-74.7	173.9	-171.9	176.8	0	120.4
2388	Y	28.8	Very low	28.4	Very low	179 Å²	179	124.1 Å²	124.1	70%	0.702	69%	0.692	S	S	*	*			trans	82.2	104.9	131.9	-78.2	-159.9	0	0	0	120.3
2389	N	29.6	Very low	28.7	Very low	53 Å²	53	126.8 Å²	126.8	28%	0.283	69%	0.688	S	S	.	*				83.9	130.4	120.4	-61.8	-26.1	0	0	0	120.6	I1831	I1831-N2389 HydrophobicContact CD1-CB 3.95Å; I1831-N2389 WeakPolarHBondContact CD1-ND2 2.89Å; I1831-N2389 HydrophobicContact CG1-CB 4.04Å; I1831-N2389 WeakPolarHBondContact CG2-ND2 3.05Å
2390	Q	25.7	Very low	29	Very low	67 Å²	67	127.4 Å²	127.4	31%	0.313	68%	0.676	S	S	.	*				36	133.1	122.3	-52.4	-169.9	15.8	0	0	117.9	I1831	I1831-Q2390 HydrophobicContact CG1-CB 4.45Å; I1831-Q2390 HydrophobicContact CG1-CG 4.39Å
2391	K	32.9	Very low	28.9	Very low	229 Å²	229	132.9 Å²	132.9	100%	0.996	68%	0.675	S	S	*	*			cis	-99.9	0	30.2	-67.8	177	178.9	176.7	0	114.3

Retrieved 2,391 of 2,391 residues in 465.9 ms (Link to these results)

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