A0A3Q0KQI3_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KQI3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,023 aa.

						>A0A3Q0KQI3_SCHMA|A0A3Q0KQI3
MALSRGVLAETGLEVEQTSQEPIFYKSLTLKEKSSSKLRILKRIRKRLSSSFGKLSPKDGVSSLEQTEALGAPPRSFSSINVYALSTSSILDPSTNLGSGGKFADVPFYSFGPNADFTVDDFRSVLKDSRGVRVDEVNNLVTGSVSGQGCPGPSARRLMHMQHQNIPANHSVRQRQSFCSGTNFSPANQASPTPNTDVTLTSYDHLSTPRNQIHTTRANTDSTPLSLVNTTNSPNTVTCDSSLGPSLARSFKDILLGRIHPNQGAGTSRSASYRRIARARWHHSTGSVLASSSVIRGSGSEEYLTANMNRDTLSHQHSEDLTSGMSKSSPSSNKHNPVSKLSRFRVSKRRSRFSYTPPAHIASEPETDVNSENPYGNNGKRFSRPIHPGHSHCVSSSQLKRDFHDESPLRSMRVAHDSDNRSHSRPRPRSVSSSTSKLAGIWNSILSATAIGNNIVVKPHHPSTSTTPTTVKQVKGHRNILRNTRRGETQTTLTKSRSRKTKHSKSNTDVNKMKISPGSFLNRPHSEELRLAGLLNIHDSNVICSPSQQDITHVTSNINGIYRHGSPVACTNKSINSQKYINGKYATSQRNSEDYIFPSTSSTPQSHSQSPNRILHNRSSSSRSFGCVDSYQKLDVLGEGSYATVYRGYSHVMRRAVAVKEIRINPEEGLPFTAIREASLLKALRHANIVILHDIVHTKKTLNFIFEFVQSDLSKYIENHPRGIKLHNVRLFLYQLLRGLAYCHDRHILHRDLKPQNLLISIQGELKLADFGLARAKSVPSRTYSHEVVTLWYRPPDVLLGSTCYTASLDIWGVGCIFTEMISGVATFPGSKDSVDQLDKIFRVMGTPCEETWPGVSKLPKYKTLLGDLNVNSTIQRTKSASSGLTISNNECDERSRKSTDNDQKQRRLHFYPNRPLHRVISRLSRAPHAESLALQFLQLQPSKRISARAAMRNAYFSNHLPIAQLACLPDTLSIFVIPNIRLVPESTSQSSPPKDLSHSYHRRHESDQANSNNDDTNNNSNSSIQHQQDEDRSEIDAFHVKERNNGVHLESNNHLHRQDFPQFEKQLIVGKCLQLSSYNTSGGKSISKEPQIILSKSNKNKYSNLNAKGKGNENLNNGLETDKSTLVNENRTPQHLYVSRAYESADAVLNAIPLDKSNGIISKLSHEECEPVKVFPACFDLPKKSDQLTPKIPPSSRIPMGGNLISPNSTSSSICDSTAHVSTTHSNQTPEFLSPTNHSAYHTLPGSTSQIFSTYPHTGQYPLVAHYPALPPLFYYPDYYAPYITPDWNNVQNSVYYSQLPTLDERRTAAAAAAVAAAAAAAAAVTLYPAVAPHSDSYIPSDLVSSMCSHDQIHQEVGIVANALDPASLNLSKCSDVPPVESSEKEPHISLSEDRSIKSSHDRNGRCNVSMPESSDIRFSNKLPSNFNSYYVPCGVPMNCSNPMYICPCFAHTNYVGSSNSSLPMVHNPPGFWDPKTFPYMFHVPRNNFMFCERERSRNASTGAPPYIGQPDQGGHLGSSKFQKPCATVANTSLSHSFSPCSQVHPPNEDTLNTTESFSTTESSVGRDMINSTSIGYTNPSSSIPESSQTVVPPTHKEPISYPLGSSQLHLSNSCADQQTYKTWQNASCLTPYQVGLPDLSQPYLVRPNFLPTVPNYFMHNLANPIHFCPENNLYTHQSGHIHGVGNMSTDVQRRSIRTDLGCSATFNNTGTTVSDSLNHGNGMNGSTVNETSNPLICSPSSFLAFSCNHNVTCEPVTKFSEEKNLSDEMNHCHLEHLTPWLNNQYYSLNGDNNKTIVVHPRSNLLSNDNYYYEPEQIQHHLNFYEQKHKNTDIRVVNRSVSFTSPETMRLDHIPLGGPPQHNLCMVNNHNNGNCLSNVSQYRLPRSYAYYPASHYSSLAAAAAIQNPIRFGMPFANNNNNNDNNNNSLHRNHYHHHYHHDHSLQDNSIGKSSDSCGLDDTPQQQQSRFYHSSSFDLNSQSNNNNNNNNNNNSNGDNSISISSNNNSTSLLDNYDQRAQTNV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.3	Very low	30	Very low	238 Å²	238	128.9 Å²	128.9	100%	1.172	73%	0.725	S	S	*	*				0	101.4	0	-61.8	176.8	-168.8	0	0	105.9
2	A	27.9	Very low	29.6	Very low	75 Å²	75	124.5 Å²	124.5	62%	0.62	73%	0.73	S	S	*	*				72.2	108.3	68.8	0	0	0	0	0	112.3
3	L	29.6	Very low	29	Very low	113 Å²	113	128.1 Å²	128.1	59%	0.592	74%	0.743	S	S	*	*			trans	62.6	92.5	145	-47.5	178	0	0	0	115.4	R5 G6	L3-R5 VanDerWaalsContact C-CA 3.42Å; L3-R5 WeakPolarHBondContact CD2-O 3.47Å; L3-R5 VanDerWaalsContact O-CD 3.32Å; L3-R5 WeakPolarHBondContact O-CD 3.08Å; L3-R5 PolarHBondContact O-NE 3.49Å; L3-G6 CarbonylContact C-O 3.41Å; L3-G6 WeakPolarHBondContact CA-O 3.2Å; L3-G6 PolarHBondContact N-O 2.75Å
4	S	32	Very low	28.6	Very low	76 Å²	76	131.9 Å²	131.9	53%	0.531	75%	0.75	S	S	.	*	S	Bend	trans	-122.7	60.4	141.9	-161.3	0	0	0	0	116.2	G6	S4-G6 PolarHBondContact N-O 2.89Å
5	R	47.1	Very low	28.2	Very low	214 Å²	214	130.7 Å²	130.7	81%	0.808	75%	0.746	S	S	*	*	S	Bend	cis	-119.9	28.9	-1.2	-54.3	-74.1	135.9	171.7	-11.5	114.6	L3	L3-R5 VanDerWaalsContact C-CA 3.42Å; L3-R5 WeakPolarHBondContact CD2-O 3.47Å; L3-R5 VanDerWaalsContact O-CD 3.32Å; L3-R5 WeakPolarHBondContact O-CD 3.08Å; L3-R5 PolarHBondContact O-NE 3.49Å
6	G	30.2	Very low	27.7	Very low	42 Å²	42	132.9 Å²	132.9	43%	0.433	75%	0.748	S	S	.	*	S	Bend	cis	105.1	156.6	-11.6	0	0	0	0	0	118.2	L3 S4	L3-G6 CarbonylContact C-O 3.41Å; L3-G6 WeakPolarHBondContact CA-O 3.2Å; L3-G6 PolarHBondContact N-O 2.75Å; S4-G6 PolarHBondContact N-O 2.89Å
7	V	34.7	Very low	27.4	Very low	105 Å²	105	134.5 Å²	134.5	64%	0.636	75%	0.748	S	S	*	*			trans	67.7	117.7	166.2	-169.9	0	0	0	0	117.9
8	L	26.3	Very low	27.2	Very low	155 Å²	155	134.1 Å²	134.1	81%	0.812	75%	0.75	S	S	*	*			trans	55.6	115.2	159.1	-67.3	168.5	0	0	0	121
9	A	25.4	Very low	27.1	Very low	86 Å²	86	131.7 Å²	131.7	71%	0.711	74%	0.743	S	S	*	*			trans	60	153.6	133	0	0	0	0	0	122.7
10	E	24.8	Very low	27.2	Very low	180 Å²	180	134.1 Å²	134.1	84%	0.841	75%	0.748	S	S	*	*			trans	65.8	154.9	164.4	-62.4	-167.6	177.3	0	0	117.5
11	T	25.9	Very low	27.1	Very low	134 Å²	134	135.1 Å²	135.1	82%	0.822	75%	0.747	S	S	*	*			cis	-153.6	163.3	-17.8	16.6	0	0	0	0	107.6
12	G	25.1	Very low	27.6	Very low	76 Å²	76	129.9 Å²	129.9	78%	0.784	73%	0.73	S	S	*	*			trans	167.3	100	172	0	0	0	0	0	114.9
13	L	22	Very low	27.5	Very low	171 Å²	171	130.3 Å²	130.3	90%	0.895	72%	0.721	S	S	*	*			trans	-101.4	179.8	163.8	-101.3	164.6	0	0	0	109.5
14	E	23.2	Very low	27.5	Very low	181 Å²	181	134.8 Å²	134.8	85%	0.846	74%	0.737	S	S	*	*			trans	72.8	152.3	174.8	-54.7	-164.1	164.4	0	0	115.9
15	V	22.5	Very low	27.2	Very low	114 Å²	114	138.5 Å²	138.5	69%	0.691	74%	0.74	S	S	*	*			cis	-150.7	177.3	-21.9	121.8	0	0	0	0	107.8
16	E	20.5	Very low	26.3	Very low	166 Å²	166	137.6 Å²	137.6	78%	0.776	74%	0.742	S	S	*	*			trans	-38.3	142	165.6	-47.4	177.1	129	0	0	114.4
17	Q	22.3	Very low	26.1	Very low	160 Å²	160	138.8 Å²	138.8	75%	0.748	74%	0.744	S	S	*	*				177.5	144.8	110.8	-97.9	176.2	45.2	0	0	112.8
18	T	24.1	Very low	25.8	Very low	127 Å²	127	142 Å²	142	78%	0.779	76%	0.756	S	S	*	*			trans	59.4	159	149.3	57.4	0	0	0	0	118.8
19	S	25	Very low	25.7	Very low	89 Å²	89	139.8 Å²	139.8	62%	0.622	75%	0.749	S	S	*	*			cis	-156.1	155.8	-15.3	34.7	0	0	0	0	111.3
20	Q	29.3	Very low	25.6	Very low	179 Å²	179	142.8 Å²	142.8	84%	0.836	75%	0.753	S	S	*	*			trans	56.3	102.2	144.1	-67.1	165.8	12.1	0	0	118.8
21	E	25.2	Very low	25.7	Very low	157 Å²	157	142.4 Å²	142.4	73%	0.734	75%	0.748	S	S	*	*			trans	-59.2	146.9	139.7	-53	176.8	118.8	0	0	110.4	I23	E21-I23 HydrophobicContact CB-CG1 4.17Å; E21-I23 WeakPolarHBondContact OE1-CD1 3.47Å; E21-I23 VanDerWaalsContact OE2-CD1 3.24Å; E21-I23 WeakPolarHBondContact OE2-CD1 3.36Å
22	P	36.4	Very low	25.6	Very low	127 Å²	127	143.3 Å²	143.3	83%	0.825	74%	0.743	S	S	*	*			trans	-104.8	76.2	149.9	34.5	-29.2	0	0	0	110.2	F24	P22-F24 PolarHBondContact O-N 2.74Å
23	I	25.9	Very low	25.7	Very low	84 Å²	84	142.9 Å²	142.9	43%	0.431	72%	0.72	S	S	.	*			trans	-63.4	126.9	165.8	-71.1	-178.8	0	0	0	108.9	E21 Y25	E21-I23 HydrophobicContact CB-CG1 4.17Å; E21-I23 WeakPolarHBondContact OE1-CD1 3.47Å; E21-I23 VanDerWaalsContact OE2-CD1 3.24Å; E21-I23 WeakPolarHBondContact OE2-CD1 3.36Å; I23-Y25 HydrophobicContact CG2-CD2 3.98Å; I23-Y25 HydrophobicContact CG2-CE2 4.37Å; I23-Y25 HydrophobicContact CG2-CG 4.33Å; I23-Y25 WeakPolarHBondContact O-CD2 3.03Å
24	F	28.9	Very low	26.1	Very low	207 Å²	207	138.8 Å²	138.8	91%	0.908	71%	0.706	S	S	*	*			trans	-121.8	81.5	152.5	-111.3	-89.3	0	0	0	110.1	P22	P22-F24 PolarHBondContact O-N 2.74Å
25	Y	26.8	Very low	26.3	Very low	155 Å²	155	134.3 Å²	134.3	61%	0.608	69%	0.694	S	S	*	*				81.1	83.9	87.7	-97.3	-72.8	0	0	0	115.9	I23 S27	I23-Y25 HydrophobicContact CG2-CD2 3.98Å; I23-Y25 HydrophobicContact CG2-CE2 4.37Å; I23-Y25 HydrophobicContact CG2-CG 4.33Å; I23-Y25 WeakPolarHBondContact O-CD2 3.03Å; Y25-S27 VanDerWaalsContact CD1-OG 3.25Å; Y25-S27 WeakPolarHBondContact CD1-OG 3.41Å
26	K	28.6	Very low	26.5	Very low	195 Å²	195	133.6 Å²	133.6	85%	0.848	69%	0.694	S	S	*	*				173.9	91.1	109.5	-92.3	161.5	-177.2	169.6	0	108
27	S	25.3	Very low	27.1	Very low	67 Å²	67	133.1 Å²	133.1	47%	0.469	69%	0.689	S	S	.	*			cis	56.7	107.4	37.2	88	0	0	0	0	114	Y25	Y25-S27 VanDerWaalsContact CD1-OG 3.25Å; Y25-S27 WeakPolarHBondContact CD1-OG 3.41Å
28	L	27.8	Very low	27.4	Very low	171 Å²	171	130.8 Å²	130.8	90%	0.895	68%	0.682	S	S	*	*				-157	121.7	114.8	-109.4	168.7	0	0	0	111.3
29	T	24	Very low	27.6	Very low	109 Å²	109	133.2 Å²	133.2	67%	0.669	68%	0.676	S	S	*	*			trans	-84.1	-176	178.2	44.2	0	0	0	0	111.7
30	L	23.5	Very low	28.1	Very low	149 Å²	149	134.8 Å²	134.8	78%	0.78	68%	0.677	S	S	*	*			trans	66.3	117	160.5	-64	161.2	0	0	0	115.9
31	K	26.5	Very low	28.2	Very low	173 Å²	173	132.6 Å²	132.6	75%	0.752	67%	0.67	S	S	*	*				-155.5	145.3	62.1	-87.4	165.5	179	160.4	0	112.8
32	E	24.7	Very low	28.4	Very low	153 Å²	153	132.3 Å²	132.3	72%	0.715	67%	0.666	S	S	*	*			trans	-55.7	157.5	156	-39.4	158.5	93.8	0	0	110.1
33	K	26.6	Very low	28.1	Very low	67 Å²	67	135.6 Å²	135.6	29%	0.291	66%	0.662	S	S	.	*			trans	-169.6	151.2	133.7	-122.5	88.9	-90	-159.4	0	113	H461 P462	K33-H461 HydrophobicContact CD-CB 3.96Å; K33-H461 WeakPolarHBondContact CD-ND1 2.98Å; K33-H461 WeakPolarHBondContact CE-CE1 3.48Å; K33-H461 WeakPolarHBondContact CE-ND1 3.37Å; K33-H461 WeakPolarHBondContact CE-NE2 3.41Å; K33-H461 HydrophobicContact CG-CB 4.11Å; K33-H461 VanDerWaalsContact CG-ND1 3.33Å; K33-H461 WeakPolarHBondContact CG-ND1 3.03Å; K33-H461 PolarHBondContact NZ-CD2 2.85Å; K33-H461 PolarHBondContact NZ-NE2 3.06Å; K33-P462 VanDerWaalsContact CD-CD 3.49Å
34	S	30.1	Very low	28.5	Very low	85 Å²	85	136.7 Å²	136.7	59%	0.594	67%	0.668	S	S	*	*			trans	41.4	93.4	165.6	54.4	0	0	0	0	116.2
35	S	28.3	Very low	28.5	Very low	86 Å²	86	133 Å²	133	60%	0.601	65%	0.648	S	S	*	*			cis	60.5	57.6	33.4	-153.4	0	0	0	0	114.2
36	S	26.3	Very low	28.6	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	66%	0.655	S	S	*	*	S	Bend	trans	-126	-17.8	175.8	-58.8	0	0	0	0	115.9
37	K	32.5	Very low	28.5	Very low	155 Å²	155	132.8 Å²	132.8	67%	0.674	65%	0.645	S	S	*	*	S	Bend	trans	-96.1	-31.6	173	-84.5	-170.3	172	-172.4	0	114	R39	K37-R39 PolarHBondContact O-N 2.64Å
38	L	29	Very low	28.7	Very low	112 Å²	112	136.7 Å²	136.7	59%	0.586	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	32.9	-176	-153	74.3	0	0	0	114.8
39	R	29.3	Very low	28.6	Very low	177 Å²	177	133.5 Å²	133.5	67%	0.668	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	-5.1	175.6	-80	-176.1	171.4	179.9	-2.7	114.9	K37 R43	K37-R39 PolarHBondContact O-N 2.64Å; R39-R43 WeakPolarHBondContact O-CD 3.03Å; R39-R43 WeakPolarHBondContact O-CG 3.21Å
40	I	34.8	Very low	28.8	Very low	123 Å²	123	132.7 Å²	132.7	63%	0.631	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-52.1	176.5	-64.6	177	0	0	0	110.5	K42 R43 I44	I40-K42 PolarHBondContact O-N 2.96Å; I40-R43 PolarHBondContact O-N 2.74Å; I40-I44 PolarHBondContact O-N 3.2Å
41	L	30.7	Very low	28.9	Very low	133 Å²	133	131.2 Å²	131.2	70%	0.696	65%	0.653	S	S	*	*	H	α-helix	trans	-65.8	-33.9	177.9	-73	166.8	0	0	0	113.2	R43 I44 R45	L41-R43 PolarHBondContact O-N 2.67Å; L41-I44 PolarHBondContact O-N 2.74Å; L41-R45 PolarHBondContact O-N 2.71Å
42	K	29.7	Very low	29.1	Very low	150 Å²	150	133.2 Å²	133.2	65%	0.652	66%	0.662	S	S	*	*	H	α-helix	trans	-76.4	2.8	170.3	-74.3	-167.2	174	-174	0	114.9	I40	I40-K42 PolarHBondContact O-N 2.96Å
43	R	31.4	Very low	29.2	Very low	197 Å²	197	128.8 Å²	128.8	74%	0.743	66%	0.658	S	S	*	*	H	α-helix	trans	-104.6	-20.4	168.9	-88	-177.2	167.3	175.6	-4.1	113.7	R39 I40 L41	R39-R43 WeakPolarHBondContact O-CD 3.03Å; R39-R43 WeakPolarHBondContact O-CG 3.21Å; I40-R43 PolarHBondContact O-N 2.74Å; L41-R43 PolarHBondContact O-N 2.67Å
44	I	34.2	Very low	29.4	Very low	107 Å²	107	135.4 Å²	135.4	55%	0.549	69%	0.687	S	S	.	*	H	α-helix	trans	-83.3	-48.9	174.3	-64.3	175.6	0	0	0	110	I40 L41 K46 R47	I40-I44 PolarHBondContact O-N 3.2Å; L41-I44 PolarHBondContact O-N 2.74Å; I44-K46 PolarHBondContact O-N 3.36Å; I44-R47 PolarHBondContact O-N 3.33Å
45	R	27.9	Very low	29.3	Very low	128 Å²	128	139.4 Å²	139.4	48%	0.483	70%	0.7	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.9	20.6	174	-152.5	-172.1	-92	140.3	-4.6	114.4	L41 D1769 E1770	L41-R45 PolarHBondContact O-N 2.71Å; R45-D1769 VanDerWaalsContact CZ-CG 3.48Å; R45-D1769 IonicContact CZ-OD1 2.69Å; R45-D1769 IonicContact CZ-OD2 2.68Å; R45-D1769 IonicContact NE-OD1 3.68Å; R45-D1769 PolarHBondContact NE-OD1 3.27Å; R45-D1769 IonicContact NE-OD2 2.78Å; R45-D1769 PolarHBondContact NE-OD2 2.59Å; R45-D1769 IonicContact NH2-OD1 2.95Å; R45-D1769 PolarHBondContact NH2-OD1 3.39Å; R45-D1769 IonicContact NH2-OD2 3.84Å; R45-E1770 IonicContact CZ-OE1 2.78Å; R45-E1770 VanDerWaalsContact CZ-OE1 3.23Å; R45-E1770 IonicContact CZ-OE2 3.77Å; R45-E1770 IonicContact NH1-OE1 2.9Å; R45-E1770 PolarHBondContact NH1-OE1 3.37Å; R45-E1770 IonicContact NH1-OE2 3.96Å; R45-E1770 PolarHBondContact NH1-OE2 3.41Å; R45-E1770 VanDerWaalsContact NH2-CD 3.29Å; R45-E1770 IonicContact NH2-OE1 3.55Å; R45-E1770 PolarHBondContact NH2-OE1 2.88Å; R45-E1770 IonicContact NH2-OE2 2.84Å
46	K	28.4	Very low	29.1	Very low	175 Å²	175	139.9 Å²	139.9	76%	0.761	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.1	23.2	170.5	-142.1	176.2	-174.5	-178.7	0	113.6	I44	I44-K46 PolarHBondContact O-N 3.36Å
47	R	27.8	Very low	29.4	Very low	171 Å²	171	140.7 Å²	140.7	65%	0.645	71%	0.707	S	S	*	*	S	Bend	trans	-130.5	6.7	171.3	-89.9	-173.3	167	-175.4	-5.6	114.3	I44	I44-R47 PolarHBondContact O-N 3.33Å
48	L	28.5	Very low	29.1	Very low	150 Å²	150	142 Å²	142	79%	0.785	71%	0.713	S	S	*	*	S	Bend	trans	-119.1	17.6	174.1	-71	172.1	0	0	0	112.8
49	S	26.8	Very low	29.1	Very low	104 Å²	104	144.7 Å²	144.7	73%	0.727	73%	0.727	S	S	*	*	S	Bend	trans	-144.2	68.1	173.2	-171.6	0	0	0	0	110.3
50	S	27.5	Very low	29.1	Very low	91 Å²	91	139.4 Å²	139.4	64%	0.636	73%	0.728	S	S	*	*			trans	-177	59.5	167.5	56.8	0	0	0	0	111.3
51	S	25.9	Very low	28.6	Very low	118 Å²	118	140.5 Å²	140.5	83%	0.825	74%	0.74	S	S	*	*	S	Bend	trans	-145.1	25.6	167.4	-66.7	0	0	0	0	113.1
52	F	30.2	Very low	28.4	Very low	215 Å²	215	139.5 Å²	139.5	94%	0.943	74%	0.744	S	S	*	*	S	Bend	trans	-151.9	136.1	156.7	-81.8	-84.6	0	0	0	103
53	G	28.1	Very low	28.3	Very low	60 Å²	60	137.3 Å²	137.3	62%	0.619	75%	0.748	S	S	*	*			cis	170.3	153.6	-5.1	0	0	0	0	0	107.1
54	K	30.7	Very low	28	Very low	207 Å²	207	134.6 Å²	134.6	90%	0.9	75%	0.747	S	S	*	*			trans	93.4	118.9	-160.1	-60.1	162.8	-176.3	-178.9	0	110.8
55	L	26.9	Very low	27.5	Very low	168 Å²	168	137.3 Å²	137.3	88%	0.88	76%	0.758	S	S	*	*			cis	52	85.4	32	-70.4	169.8	0	0	0	111.8
56	S	25.5	Very low	27.5	Very low	96 Å²	96	140.1 Å²	140.1	67%	0.671	78%	0.776	S	S	*	*			trans	-65.7	134.6	164.2	-170.3	0	0	0	0	109
57	P	31.6	Very low	27.2	Very low	118 Å²	118	137.9 Å²	137.9	77%	0.766	78%	0.777	S	S	*	*			trans	-67.2	143.2	154.3	32	-32.4	0	0	0	108.5
58	K	26.8	Very low	27.2	Very low	183 Å²	183	139.1 Å²	139.1	80%	0.796	79%	0.791	S	S	*	*			trans	-157.2	118.2	158.6	-79.5	-153.2	174.7	-167.7	0	108.9
59	D	28.7	Very low	27	Very low	167 Å²	167	136.6 Å²	136.6	89%	0.893	79%	0.791	S	S	*	*				-165.3	135.7	124.9	-87.5	-27.2	0	0	0	107.2
60	G	28.4	Very low	26.9	Very low	67 Å²	67	140.8 Å²	140.8	69%	0.691	80%	0.804	S	S	*	*			trans	71.7	120.6	-169.3	0	0	0	0	0	113.8
61	V	24	Very low	26.8	Very low	145 Å²	145	140.3 Å²	140.3	88%	0.879	81%	0.814	S	S	*	*			cis	61.1	112.6	14.8	-164.3	0	0	0	0	111.7
62	S	27.2	Very low	26.8	Very low	112 Å²	112	139.4 Å²	139.4	78%	0.783	81%	0.814	S	S	*	*			cis	-144.6	174.2	4.2	53.1	0	0	0	0	109.6
63	S	28.2	Very low	26.9	Very low	104 Å²	104	134.9 Å²	134.9	73%	0.727	81%	0.806	S	S	*	*			cis	-156.7	159.6	18.9	44	0	0	0	0	112.6
64	L	24.9	Very low	26.8	Very low	140 Å²	140	137.2 Å²	137.2	73%	0.733	81%	0.81	S	S	*	*			trans	15.4	121.2	155.8	-88.3	64.3	0	0	0	119.7
65	E	23.9	Very low	26.3	Very low	165 Å²	165	139 Å²	139	77%	0.771	81%	0.811	S	S	*	*				80.3	145	86.6	-75.6	178.7	-172	0	0	113.2
66	Q	26.8	Very low	26.2	Very low	187 Å²	187	136.6 Å²	136.6	87%	0.874	81%	0.809	S	S	*	*			cis	-132.9	-177.9	38.2	-74.1	-177.5	-16.3	0	0	116.3
67	T	23.9	Very low	26.2	Very low	127 Å²	127	141.2 Å²	141.2	78%	0.779	82%	0.817	S	S	*	*			trans	-89.3	153.6	-169.7	52.1	0	0	0	0	115.3
68	E	27.4	Very low	25.8	Very low	198 Å²	198	141 Å²	141	93%	0.925	82%	0.818	S	S	*	*				-153.9	140	117.9	-126.6	-179.2	-151.2	0	0	111.6
69	A	23.8	Very low	25.7	Very low	97 Å²	97	137.1 Å²	137.1	80%	0.802	81%	0.814	S	S	*	*			trans	-163.8	107.6	-179.5	0	0	0	0	0	113.8
70	L	24.9	Very low	25.6	Very low	191 Å²	191	136.7 Å²	136.7	100%	1	81%	0.81	S	S	*	*			trans	-154.2	122	159.4	-96.2	177.9	0	0	0	109.4
71	G	26	Very low	25.4	Very low	82 Å²	82	139.8 Å²	139.8	85%	0.845	81%	0.811	S	S	*	*			trans	164.4	140	177	0	0	0	0	0	113.4
72	A	24.5	Very low	25.4	Very low	98 Å²	98	137.5 Å²	137.5	81%	0.81	80%	0.797	S	S	*	*			trans	-97	153.9	-177.8	0	0	0	0	0	112.5
73	P	32.8	Very low	25.2	Very low	121 Å²	121	142.2 Å²	142.2	79%	0.786	80%	0.799	S	S	*	*			trans	-88.7	-172.6	-177.4	41.4	-40.2	0	0	0	111.3
74	P	25.3	Very low	24.9	Very low	109 Å²	109	141.3 Å²	141.3	71%	0.708	80%	0.798	S	S	*	*			cis	-130.6	162.9	-0.9	40.6	-26	0	0	0	115.6
75	R	21.8	Very low	25.1	Very low	243 Å²	243	142.9 Å²	142.9	92%	0.917	81%	0.806	S	S	*	*			trans	167.7	103.7	139.1	-94.3	158.3	-175.3	-155.6	1.6	111.5
76	S	23.7	Very low	24.9	Very low	118 Å²	118	140.1 Å²	140.1	83%	0.825	81%	0.805	S	S	*	*			trans	-165.5	88.6	161.2	42.2	0	0	0	0	111.1
77	F	24.8	Very low	24.8	Very low	194 Å²	194	137.9 Å²	137.9	85%	0.851	81%	0.805	S	S	*	*			trans	-109.7	138.6	140.9	-109.6	-77.1	0	0	0	107.7
78	S	25.1	Very low	24.8	Very low	113 Å²	113	137.1 Å²	137.1	79%	0.79	80%	0.804	S	S	*	*			trans	-61.2	154.6	-166.9	43.1	0	0	0	0	113.5
79	S	24.5	Very low	24.7	Very low	101 Å²	101	132.8 Å²	132.8	71%	0.706	80%	0.796	S	S	*	*			trans	-138.8	144.5	167.3	-64.2	0	0	0	0	108
80	I	26.1	Very low	24.9	Very low	158 Å²	158	136.1 Å²	136.1	81%	0.81	80%	0.798	S	S	*	*			trans	69.8	125.6	160.5	-66	160.2	0	0	0	113.4
81	N	24.9	Very low	25.1	Very low	133 Å²	133	134.6 Å²	134.6	71%	0.711	79%	0.79	S	S	*	*			cis	-165.1	169.1	1.5	-123	5.9	0	0	0	108.9
82	V	23	Very low	25	Very low	97 Å²	97	136.9 Å²	136.9	59%	0.588	78%	0.783	S	S	*	*			cis	-147.5	-177.9	-2.3	-144	0	0	0	0	108.8
83	Y	23	Very low	25.3	Very low	211 Å²	211	137.8 Å²	137.8	83%	0.827	78%	0.781	S	S	*	*			trans	78.8	122.1	149.5	-76.3	-58.6	0	0	0	122.2
84	A	23	Very low	24.9	Very low	85 Å²	85	136.1 Å²	136.1	70%	0.702	77%	0.772	S	S	*	*			trans	50.3	130.5	144	0	0	0	0	0	118.9
85	L	27.2	Very low	25	Very low	173 Å²	173	136.4 Å²	136.4	91%	0.906	77%	0.772	S	S	*	*			cis	-151.5	153.2	40.5	-79.5	161	0	0	0	112.5
86	S	21.4	Very low	25.2	Very low	106 Å²	106	130.7 Å²	130.7	74%	0.741	76%	0.76	S	S	*	*			trans	-150.5	132.1	151.6	60.8	0	0	0	0	112
87	T	23.6	Very low	25.2	Very low	141 Å²	141	132.2 Å²	132.2	87%	0.865	76%	0.758	S	S	*	*			trans	58.3	102.4	161.2	56.6	0	0	0	0	120.1
88	S	24.5	Very low	25.2	Very low	111 Å²	111	126.3 Å²	126.3	78%	0.776	75%	0.752	S	S	*	*			trans	-129.8	110.2	140.2	49.9	0	0	0	0	105.9
89	S	24.9	Very low	25.2	Very low	106 Å²	106	127 Å²	127	74%	0.741	76%	0.756	S	S	*	*				83.2	107.4	82.4	72.6	0	0	0	0	113.9
90	I	27.3	Very low	25.3	Very low	167 Å²	167	126 Å²	126	86%	0.856	76%	0.762	S	S	*	*			trans	-124.1	94.5	153.1	-62.4	-176.7	0	0	0	107.8
91	L	29.1	Very low	25.3	Very low	159 Å²	159	121.9 Å²	121.9	83%	0.832	76%	0.758	S	S	*	*			trans	30.5	106.9	142.9	-59.6	169.9	0	0	0	118.7
92	D	24.9	Very low	25.5	Very low	130 Å²	130	122.2 Å²	122.2	70%	0.695	75%	0.754	S	S	*	*			trans	-82	163	134.1	-163.2	48.8	0	0	0	108.3	S94	D92-S94 PolarHBondContact OD2-N 3.06Å
93	P	30.3	Very low	25.5	Very low	117 Å²	117	127.3 Å²	127.3	76%	0.76	77%	0.768	S	S	*	*				-142.8	121.1	112.1	34.4	-19.5	0	0	0	115.6
94	S	25.3	Very low	25.7	Very low	86 Å²	86	121.2 Å²	121.2	60%	0.601	76%	0.761	S	S	*	*			trans	-15.6	153.1	135.3	71.7	0	0	0	0	116.5	D92	D92-S94 PolarHBondContact OD2-N 3.06Å
95	T	26.3	Very low	25.9	Very low	116 Å²	116	124.6 Å²	124.6	71%	0.712	77%	0.768	S	S	*	*			cis	-147.2	-178.8	34.2	62.4	0	0	0	0	110.1
96	N	25.4	Very low	25.7	Very low	123 Å²	123	122.3 Å²	122.3	66%	0.658	76%	0.761	S	S	*	*			cis	-158.5	166.1	12.3	-142.1	-19.5	0	0	0	113.3
97	L	24	Very low	25.9	Very low	150 Å²	150	123.1 Å²	123.1	79%	0.785	76%	0.764	S	S	*	*			trans	47.7	103.3	155.9	-72.3	158.4	0	0	0	119.7
98	G	25	Very low	26	Very low	70 Å²	70	126.1 Å²	126.1	72%	0.722	77%	0.765	S	S	*	*			trans	-129.6	132.1	163.2	0	0	0	0	0	112
99	S	26.4	Very low	25.9	Very low	126 Å²	126	131.5 Å²	131.5	88%	0.881	77%	0.77	S	S	*	*			trans	-66.9	144.3	-175.7	54.5	0	0	0	0	115
100	G	25.5	Very low	26	Very low	80 Å²	80	132 Å²	132	83%	0.825	77%	0.773	S	S	*	*			trans	-110.7	119.9	164.2	0	0	0	0	0	112
101	G	25.9	Very low	25.8	Very low	72 Å²	72	134 Å²	134	74%	0.742	78%	0.776	S	S	*	*			trans	-155.8	93.9	-173.8	0	0	0	0	0	115.7
102	K	28.5	Very low	25.7	Very low	140 Å²	140	129.7 Å²	129.7	61%	0.609	77%	0.769	S	S	*	*			trans	68.3	177.1	167.8	-66.2	-170.8	174.6	-178.7	0	117.4
103	F	24.7	Very low	25.9	Very low	205 Å²	205	129.1 Å²	129.1	90%	0.899	77%	0.773	S	S	*	*			trans	-144.5	163.8	-146.6	-117.3	-90.8	0	0	0	110.8
104	A	26.3	Very low	25.7	Very low	82 Å²	82	131.5 Å²	131.5	68%	0.678	78%	0.779	S	S	*	*			trans	71.4	151	164.4	0	0	0	0	0	115.6
105	D	27.1	Very low	25.8	Very low	156 Å²	156	131.4 Å²	131.4	83%	0.834	78%	0.784	S	S	*	*			cis	-123.9	152.7	23.3	-82.5	-51.3	0	0	0	116.5
106	V	23	Very low	25.6	Very low	126 Å²	126	133.4 Å²	133.4	76%	0.764	79%	0.79	S	S	*	*			trans	-139.6	131.8	159.1	179.1	0	0	0	0	106.2	F108	V106-F108 PolarHBondContact O-N 3.27Å
107	P	26.4	Very low	25.6	Very low	123 Å²	123	134.8 Å²	134.8	80%	0.799	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-72.5	128.2	-160.6	26.3	-35.5	0	0	0	114.2
108	F	25.1	Very low	25.7	Very low	204 Å²	204	133.6 Å²	133.6	90%	0.895	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-90.8	138.3	169.6	-114.6	-90.4	0	0	0	111.7	V106 S110	V106-F108 PolarHBondContact O-N 3.27Å; F108-S110 PolarHBondContact O-N 3.44Å
109	Y	23	Very low	25.6	Very low	224 Å²	224	137.2 Å²	137.2	88%	0.878	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-65.4	118	174.2	-94.1	-103.8	0	0	0	111.4
110	S	25.8	Very low	25.5	Very low	116 Å²	116	138.1 Å²	138.1	81%	0.811	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-79.1	124	171.9	49.8	0	0	0	0	111.4	F108 G112	F108-S110 PolarHBondContact O-N 3.44Å; S110-G112 PolarHBondContact O-N 3.43Å
111	F	24	Very low	25.4	Very low	210 Å²	210	140 Å²	140	92%	0.921	78%	0.784	S	S	*	*			trans	-73	115.5	164.9	-96.6	-93.6	0	0	0	109.3
112	G	27.8	Very low	25.3	Very low	67 Å²	67	146.7 Å²	146.7	69%	0.691	79%	0.793	S	S	*	*			trans	-69.2	132.5	169.8	0	0	0	0	0	111.3	S110	S110-G112 PolarHBondContact O-N 3.43Å
113	P	28.6	Very low	25	Very low	119 Å²	119	150.7 Å²	150.7	77%	0.773	80%	0.804	S	S	*	*			trans	-79.3	137.1	179.7	31.9	-34.2	0	0	0	111.5
114	N	26.3	Very low	25	Very low	166 Å²	166	144.8 Å²	144.8	89%	0.888	79%	0.788	S	S	*	*			trans	-166.1	82.5	156.6	-105.3	-31.7	0	0	0	110.1
115	A	26.3	Very low	24.9	Very low	84 Å²	84	147.3 Å²	147.3	69%	0.694	80%	0.795	S	S	*	*			trans	-158.7	77.3	171.9	0	0	0	0	0	109.9	F117	A115-F117 PolarHBondContact O-N 3.2Å
116	D	22.8	Very low	24.7	Very low	158 Å²	158	147.6 Å²	147.6	85%	0.845	80%	0.795	S	S	*	*			trans	-58.7	112.3	164.9	-73.7	-53.5	0	0	0	109.5
117	F	25.6	Very low	24.7	Very low	152 Å²	152	149.8 Å²	149.8	67%	0.667	80%	0.795	S	S	*	*			trans	-128.5	99.5	160.9	-92.5	-82.6	0	0	0	107.9	A115 V119	A115-F117 PolarHBondContact O-N 3.2Å; F117-V119 PolarHBondContact O-N 3.31Å
118	T	25.3	Very low	24.7	Very low	126 Å²	126	150.3 Å²	150.3	77%	0.773	79%	0.791	S	S	*	*			trans	-50.1	129.4	166.4	45.5	0	0	0	0	110	D120	T118-D120 VanDerWaalsContact C-N 3.27Å; T118-D120 PolarHBondContact O-N 3.21Å
119	V	23.7	Very low	24.7	Very low	145 Å²	145	146.1 Å²	146.1	88%	0.879	79%	0.787	S	S	*	*	S	Bend	trans	-80.7	78	178.7	-176.9	0	0	0	0	109.5	F117	F117-V119 PolarHBondContact O-N 3.31Å
120	D	23.5	Very low	24.9	Very low	146 Å²	146	146.5 Å²	146.5	78%	0.781	79%	0.787	S	S	*	*			trans	-138.1	160.9	166.5	-93.7	-52.5	0	0	0	110.6	T118	T118-D120 VanDerWaalsContact C-N 3.27Å; T118-D120 PolarHBondContact O-N 3.21Å
121	D	24.7	Very low	24.9	Very low	119 Å²	119	144.1 Å²	144.1	64%	0.636	78%	0.78	S	S	*	*	S	Bend	trans	56.9	55.7	-176.6	-86.7	-32.6	0	0	0	117.4	S124	D121-S124 WeakPolarHBondContact OD1-CB 3.32Å; D121-S124 PolarHBondContact OD1-OG 3.29Å
122	F	23.1	Very low	25	Very low	212 Å²	212	141.6 Å²	141.6	93%	0.93	78%	0.782	S	S	*	*	S	Bend	trans	-128	39.9	134.2	-129.4	-84.2	0	0	0	112.7
123	R	23	Very low	24.8	Very low	224 Å²	224	148 Å²	148	85%	0.845	79%	0.786	S	S	*	*	S	Bend	trans	-139	23.5	-173.5	-140	178.6	-158.2	176.5	7.4	115.4
124	S	24.2	Very low	24.7	Very low	82 Å²	82	148 Å²	148	57%	0.573	78%	0.783	S	S	*	*			trans	-126.4	21.3	-162.6	45.7	0	0	0	0	116	D121	D121-S124 WeakPolarHBondContact OD1-CB 3.32Å; D121-S124 PolarHBondContact OD1-OG 3.29Å
125	V	23.9	Very low	24.8	Very low	135 Å²	135	145.6 Å²	145.6	82%	0.818	77%	0.77	S	S	*	*	S	Bend	trans	-133.8	129.4	161	-173.6	0	0	0	0	109.3
126	L	22.1	Very low	24.7	Very low	161 Å²	161	148.1 Å²	148.1	84%	0.843	77%	0.768	S	S	*	*	S	Bend	trans	68.5	53.5	-172.1	-59.5	178.5	0	0	0	116.4
127	K	23.9	Very low	24.8	Very low	172 Å²	172	145.3 Å²	145.3	75%	0.748	76%	0.756	S	S	*	*			trans	-136.3	41.1	150	-110.5	-162.2	-178.5	-167.3	0	115.7
128	D	25.6	Very low	24.9	Very low	135 Å²	135	144.1 Å²	144.1	72%	0.722	76%	0.756	S	S	*	*			trans	-108.5	123.6	137.1	-79.6	-52.5	0	0	0	105.8
129	S	26.2	Very low	25.2	Very low	116 Å²	116	144.6 Å²	144.6	81%	0.811	75%	0.754	S	S	*	*			cis	-113.2	133.3	43.7	10	0	0	0	0	115.8
130	R	26.1	Very low	25.4	Very low	231 Å²	231	143.5 Å²	143.5	87%	0.872	74%	0.743	S	S	*	*			trans	-66.3	142.5	131.4	-41.2	172.5	-161.5	-177.9	2	106.9
131	G	26.4	Very low	25.6	Very low	66 Å²	66	142.2 Å²	142.2	68%	0.68	74%	0.74	S	S	*	*			cis	164	141.4	-8.4	0	0	0	0	0	108.9
132	V	26.2	Very low	25.8	Very low	158 Å²	158	141.2 Å²	141.2	96%	0.958	74%	0.738	S	S	*	*			trans	-111	108.6	156.5	-178.3	0	0	0	0	105.7
133	R	24.4	Very low	26.1	Very low	202 Å²	202	132.5 Å²	132.5	76%	0.762	71%	0.708	S	S	*	*			trans	-126.5	-174.9	172.5	-165.6	-178	179.1	-166.6	-3.5	104.9	E136	R133-E136 IonicContact NH2-OE1 3.9Å
134	V	26.5	Very low	26.3	Very low	117 Å²	117	124.9 Å²	124.9	71%	0.709	69%	0.689	S	S	*	*			trans	77.7	118.1	171.8	-177.3	0	0	0	0	111.6
135	D	27.3	Very low	26.6	Very low	117 Å²	117	127.7 Å²	127.7	63%	0.626	70%	0.702	S	S	*	*			cis	-145.5	158.7	-1.7	-98.1	-11.4	0	0	0	108.8
136	E	25.4	Very low	26.7	Very low	137 Å²	137	127 Å²	127	64%	0.64	70%	0.704	S	S	*	*				66.7	148.2	51.7	-58.3	-166.4	-162.9	0	0	112.6	R133	R133-E136 IonicContact NH2-OE1 3.9Å
137	V	24.8	Very low	27.1	Very low	98 Å²	98	123.1 Å²	123.1	59%	0.594	70%	0.702	S	S	*	*			cis	-159.5	158	-11.6	122.4	0	0	0	0	108.4
138	N	27.3	Very low	27.3	Very low	127 Å²	127	124.9 Å²	124.9	68%	0.679	71%	0.713	S	S	*	*			trans	174.3	142.1	149	-92.4	-24.6	0	0	0	109.4
139	N	32.1	Very low	27.3	Very low	136 Å²	136	122.1 Å²	122.1	73%	0.727	72%	0.717	S	S	*	*			cis	-125.2	144.9	-2.2	-60.5	-67.4	0	0	0	107.7
140	L	26.5	Very low	27.6	Very low	122 Å²	122	122.7 Å²	122.7	64%	0.639	72%	0.719	S	S	*	*				66	115.7	52.8	-62.3	169.9	0	0	0	112.6
141	V	27.5	Very low	27.7	Very low	120 Å²	120	117.5 Å²	117.5	73%	0.727	72%	0.716	S	S	*	*			cis	87.5	123.4	35.1	177.3	0	0	0	0	113.9
142	T	29.7	Very low	28.3	Very low	97 Å²	97	117.7 Å²	117.7	60%	0.595	72%	0.718	S	S	*	*			trans	-172.8	121.4	164	17.4	0	0	0	0	109.7	P1465 V1467	T142-P1465 HydrophobicContact CG2-CB 3.34Å; T142-P1465 HydrophobicContact CG2-CG 4.03Å; T142-V1467 HydrophobicContact CG2-CG2 4.21Å
143	G	29.3	Very low	28.5	Very low	29 Å²	29	116 Å²	116	30%	0.299	71%	0.709	S	S	.	*			cis	167.6	-164.7	-9.3	0	0	0	0	0	114.6	L1464	G143-L1464 VanDerWaalsContact C-C 3.48Å; G143-L1464 CarbonylContact C-O 3.28Å; G143-L1464 CarbonylContact O-C 3.58Å; G143-L1464 WeakPolarHBondContact O-CA 3.47Å; G143-L1464 PolarHBondContact O-N 2.98Å
144	S	26.1	Very low	28.5	Very low	64 Å²	64	111.8 Å²	111.8	45%	0.448	71%	0.711	S	S	.	*			trans	32.8	-176	158.6	-38.9	0	0	0	0	124.8	L1464 M1466	S144-L1464 CarbonylContact C-O 3.35Å; S144-L1464 WeakPolarHBondContact CA-O 3.33Å; S144-L1464 WeakPolarHBondContact CB-O 3.23Å; S144-L1464 PolarHBondContact N-O 2.95Å; S144-M1466 PolarHBondContact OG-N 3.06Å; S144-M1466 PolarHBondContact OG-O 2.98Å
145	V	32.2	Very low	28.5	Very low	141 Å²	141	110.3 Å²	110.3	86%	0.855	71%	0.712	S	S	*	*			trans	-155.7	147.4	-141.7	172.4	0	0	0	0	113.5
146	S	25.9	Very low	28.4	Very low	122 Å²	122	115.4 Å²	115.4	85%	0.853	72%	0.722	S	S	*	*			trans	-168.3	170.9	151.5	66.6	0	0	0	0	113.5
147	G	30.6	Very low	28.5	Very low	78 Å²	78	120.3 Å²	120.3	80%	0.804	74%	0.735	S	S	*	*			trans	115.9	139.6	155.7	0	0	0	0	0	118.5
148	Q	26.9	Very low	28.4	Very low	209 Å²	209	122 Å²	122	98%	0.977	74%	0.74	S	S	*	*			trans	-119.6	152	168.8	-68.1	179.5	-15.3	0	0	110
149	G	26.5	Very low	28.5	Very low	77 Å²	77	124.2 Å²	124.2	79%	0.794	75%	0.748	S	S	*	*			trans	153.2	122.6	162.7	0	0	0	0	0	116.7
150	C	31.1	Very low	28.2	Very low	129 Å²	129	123.8 Å²	123.8	87%	0.872	74%	0.741	S	S	*	*			trans	-103.4	168.5	155	-58.7	0	0	0	0	108.1
151	P	30.1	Very low	28.1	Very low	122 Å²	122	124.7 Å²	124.7	79%	0.792	74%	0.744	S	S	*	*			cis	-130.4	-177.5	8.9	42.3	-26.1	0	0	0	114.6
152	G	37.2	Very low	28	Very low	70 Å²	70	126.5 Å²	126.5	72%	0.722	75%	0.745	S	S	*	*			trans	-82.6	155.6	165.3	0	0	0	0	0	112.5
153	P	31.8	Very low	27.9	Very low	121 Å²	121	128.9 Å²	128.9	79%	0.786	75%	0.749	S	S	*	*				-151.2	154.4	105.1	39.1	-22.8	0	0	0	117.8
154	S	24.6	Very low	27.7	Very low	114 Å²	114	134.8 Å²	134.8	80%	0.797	77%	0.768	S	S	*	*			trans	26	113.7	138.4	-56.4	0	0	0	0	123.6
155	A	25.6	Very low	27.7	Very low	87 Å²	87	137.7 Å²	137.7	72%	0.719	78%	0.779	S	S	*	*				91.6	137.6	107.9	0	0	0	0	0	124.3
156	R	25.6	Very low	27.4	Very low	223 Å²	223	138.1 Å²	138.1	84%	0.842	78%	0.775	S	S	*	*			trans	66.8	122.1	143.8	-70.9	167.8	176	-167.3	-0.4	121.5
157	R	27	Very low	27.8	Very low	241 Å²	241	138.1 Å²	138.1	91%	0.909	77%	0.772	S	S	*	*				-173.4	145.7	101.6	-94.2	158.8	177.2	170.8	-0.5	109.4
158	L	23.8	Very low	27.6	Very low	134 Å²	134	138.7 Å²	138.7	70%	0.702	77%	0.769	S	S	*	*			cis	93.8	107.4	16.6	-166	165.8	0	0	0	115.2
159	M	28.2	Very low	27.6	Very low	173 Å²	173	135.2 Å²	135.2	85%	0.852	76%	0.757	S	S	*	*			trans	-171.2	147.1	158.7	-87.2	-108.6	-176.1	0	0	108.2
160	H	27.1	Very low	27.6	Very low	127 Å²	127	138.8 Å²	138.8	59%	0.588	75%	0.753	S	S	*	*			cis	-159.7	149.8	-24.7	-138.4	-100	0	0	0	110.3
161	M	24.3	Very low	27.4	Very low	141 Å²	141	136.7 Å²	136.7	70%	0.695	74%	0.74	S	S	*	*			trans	34.6	129.8	162.4	-73.3	-168.4	-50.4	0	0	125
162	Q	24.8	Very low	27.2	Very low	158 Å²	158	137 Å²	137	74%	0.738	74%	0.739	S	S	*	*				90.2	137.8	129.1	-82.5	178.7	-29.7	0	0	124.4
163	H	27.5	Very low	26.6	Very low	147 Å²	147	144.9 Å²	144.9	68%	0.681	75%	0.747	S	S	*	*			trans	72.1	106	157.9	-82.8	-106.6	0	0	0	123.6
164	Q	26	Very low	26.3	Very low	153 Å²	153	146.6 Å²	146.6	72%	0.715	75%	0.745	S	S	*	*			trans	86.9	132.9	133	-73.1	-178.4	6.3	0	0	124.1
165	N	26.1	Very low	26.2	Very low	125 Å²	125	149.3 Å²	149.3	67%	0.668	74%	0.737	S	S	*	*			trans	66.2	111.6	153.3	-53.7	-17.4	0	0	0	118.5
166	I	25.9	Very low	26.1	Very low	149 Å²	149	153 Å²	153	76%	0.764	74%	0.74	S	S	*	*				70.5	133.7	65.6	-64.2	167.2	0	0	0	111.9
167	P	33.5	Very low	26.1	Very low	122 Å²	122	147 Å²	147	79%	0.792	73%	0.732	S	S	*	*			cis	-109.6	162.9	1.2	7.3	17.1	0	0	0	113.8
168	A	26.8	Very low	25.8	Very low	91 Å²	91	143.7 Å²	143.7	75%	0.752	72%	0.724	S	S	*	*			cis	-154.4	-153.3	3.5	0	0	0	0	0	111.9
169	N	26.4	Very low	25.8	Very low	136 Å²	136	140.8 Å²	140.8	73%	0.727	71%	0.714	S	S	*	*			trans	-142.8	159.7	-171.9	-80.2	-37.3	0	0	0	109.7
170	H	27.1	Very low	25.6	Very low	152 Å²	152	137.4 Å²	137.4	70%	0.704	71%	0.708	S	S	*	*			cis	-148.5	157.3	-3.9	-87.9	-37.8	0	0	0	107.2
171	S	26.2	Very low	25.6	Very low	84 Å²	84	134.7 Å²	134.7	59%	0.587	71%	0.714	S	S	*	*			cis	85.1	117.3	14.8	85	0	0	0	0	119
172	V	26.7	Very low	25.7	Very low	129 Å²	129	133.8 Å²	133.8	78%	0.782	72%	0.717	S	S	*	*			trans	61.1	124.6	137.3	176.5	0	0	0	0	119.9
173	R	24.5	Very low	25.7	Very low	235 Å²	235	132.8 Å²	132.8	89%	0.887	72%	0.716	S	S	*	*				-173.5	-165.6	105.9	-135.9	152.1	-166.1	179.6	4.6	115
174	Q	24.5	Very low	25.9	Very low	157 Å²	157	135.5 Å²	135.5	73%	0.734	73%	0.727	S	S	*	*			trans	-122.7	167.8	-160.4	-54.9	169.8	-59.5	0	0	113.1
175	R	23.2	Very low	25.8	Very low	172 Å²	172	133.1 Å²	133.1	65%	0.649	73%	0.727	S	S	*	*			trans	45.3	129	141.4	-79.2	-173.9	178.5	-149.9	9.6	121.4
176	Q	23.3	Very low	26.4	Very low	165 Å²	165	132.6 Å²	132.6	77%	0.771	73%	0.73	S	S	*	*			trans	64.5	171.3	135.6	-63.4	-178.1	-79.8	0	0	118.6
177	S	24.5	Very low	26.7	Very low	96 Å²	96	129.6 Å²	129.6	67%	0.671	73%	0.727	S	S	*	*			trans	-90.6	176.6	-175.4	44.4	0	0	0	0	113.3
178	F	22.1	Very low	26.5	Very low	172 Å²	172	130.3 Å²	130.3	75%	0.754	73%	0.725	S	S	*	*			trans	76.1	71	170.7	-66.8	-78.8	0	0	0	118.7
179	C	23.7	Very low	26.6	Very low	72 Å²	72	133.9 Å²	133.9	49%	0.486	73%	0.726	S	S	.	*				52.5	161.5	97.8	-54.3	0	0	0	0	123.7	L1631	C179-L1631 HydrophobicContact CB-CD1 3.71Å; C179-L1631 HydrophobicContact CB-CD2 3.51Å; C179-L1631 HydrophobicContact CB-CG 3.57Å
180	S	24.1	Very low	26.7	Very low	103 Å²	103	132 Å²	132	72%	0.72	73%	0.729	S	S	*	*			trans	79.7	141.2	176.4	74.8	0	0	0	0	115.5	L1631	S180-L1631 VanDerWaalsContact N-CD1 3.34Å
181	G	27.2	Very low	26.6	Very low	69 Å²	69	129.9 Å²	129.9	71%	0.711	73%	0.731	S	S	*	*			cis	-156.3	-155.8	-9	0	0	0	0	0	108.4
182	T	26.3	Very low	26.9	Very low	123 Å²	123	131.6 Å²	131.6	76%	0.755	74%	0.741	S	S	*	*			cis	-168.6	148.8	-2.2	39.8	0	0	0	0	108.5
183	N	24.6	Very low	27	Very low	137 Å²	137	131.6 Å²	131.6	73%	0.733	74%	0.741	S	S	*	*			trans	58.2	139.3	154.4	-50.5	-11.5	0	0	0	118.3
184	F	30.7	Very low	27.3	Very low	204 Å²	204	125.3 Å²	125.3	90%	0.895	73%	0.73	S	S	*	*			cis	-147.5	174.6	45.9	-108.6	-90.9	0	0	0	114.4
185	S	23.7	Very low	27.4	Very low	102 Å²	102	124.3 Å²	124.3	71%	0.713	73%	0.73	S	S	*	*			trans	-119.7	-163.9	178.1	-147.9	0	0	0	0	108.5
186	P	39.5	Very low	27.6	Very low	114 Å²	114	121.2 Å²	121.2	74%	0.74	73%	0.73	S	S	*	*			cis	-139.4	-148.8	-10.6	42.4	-21.3	0	0	0	113.2
187	A	31.1	Very low	27.5	Very low	86 Å²	86	119.7 Å²	119.7	71%	0.711	73%	0.728	S	S	*	*			trans	79.3	137.4	161.3	0	0	0	0	0	117.6
188	N	29.7	Very low	27.5	Very low	137 Å²	137	120 Å²	120	73%	0.733	73%	0.726	S	S	*	*			cis	-157.7	167.6	-3.6	-124.7	21.2	0	0	0	110.4
189	Q	29.3	Very low	27.6	Very low	167 Å²	167	117.4 Å²	117.4	78%	0.78	72%	0.724	S	S	*	*			cis	-130	-94.3	-2.1	-168.4	166.4	-23.4	0	0	113.3
190	A	29	Very low	27.8	Very low	96 Å²	96	120.9 Å²	120.9	79%	0.793	74%	0.737	S	S	*	*			cis	-157.3	-177.7	-3.6	0	0	0	0	0	110.5
191	S	25.4	Very low	27.9	Very low	108 Å²	108	121 Å²	121	76%	0.755	73%	0.733	S	S	*	*			trans	-149.2	158.2	-176.2	58.2	0	0	0	0	111.9
192	P	31.3	Very low	27.7	Very low	120 Å²	120	121.8 Å²	121.8	78%	0.779	73%	0.728	S	S	*	*			cis	-135.4	179.6	23.9	43.9	-27.5	0	0	0	116.9
193	T	28.2	Very low	27.7	Very low	128 Å²	128	125.6 Å²	125.6	79%	0.785	73%	0.73	S	S	*	*			trans	-79.3	160.7	159	53.9	0	0	0	0	110.4
194	P	31.5	Very low	27.8	Very low	103 Å²	103	124.5 Å²	124.5	67%	0.669	72%	0.724	S	S	*	*				-152.9	171.5	90.7	42.3	-25.1	0	0	0	116.2
195	N	27.2	Very low	27.6	Very low	136 Å²	136	121.9 Å²	121.9	73%	0.727	71%	0.714	S	S	*	*			trans	64.8	128.1	138.9	-74	23.1	0	0	0	120.6
196	T	26.2	Very low	27.7	Very low	107 Å²	107	124 Å²	124	66%	0.656	72%	0.717	S	S	*	*				57.2	137.7	77.7	75.6	0	0	0	0	113.3
197	D	23	Very low	27	Very low	133 Å²	133	123.1 Å²	123.1	71%	0.711	71%	0.714	S	S	*	*			cis	-162.8	159.4	10.2	-126.1	11.5	0	0	0	113.7
198	V	23.7	Very low	27	Very low	104 Å²	104	124.3 Å²	124.3	63%	0.63	71%	0.712	S	S	*	*				36	132.1	126.2	178.6	0	0	0	0	121.2
199	T	23.3	Very low	27.3	Very low	117 Å²	117	123.7 Å²	123.7	72%	0.718	72%	0.716	S	S	*	*			trans	60.4	141.2	165.7	57	0	0	0	0	116.7
200	L	29.2	Very low	27	Very low	144 Å²	144	125.5 Å²	125.5	75%	0.754	72%	0.715	S	S	*	*				-155.9	124.9	51.7	-78.8	165.3	0	0	0	107.7
201	T	25.2	Very low	27	Very low	105 Å²	105	127.3 Å²	127.3	64%	0.644	71%	0.711	S	S	*	*				42.9	103.8	96.4	67.3	0	0	0	0	114.9
202	S	23.3	Very low	27.2	Very low	87 Å²	87	129.3 Å²	129.3	61%	0.608	71%	0.709	S	S	*	*			trans	34.3	121.5	132.6	60.9	0	0	0	0	118.8
203	Y	27.2	Very low	27.1	Very low	202 Å²	202	131 Å²	131	79%	0.792	71%	0.71	S	S	*	*				-161.3	143.4	77.1	-110.2	-84	0	0	0	112.6
204	D	25.6	Very low	27.3	Very low	114 Å²	114	132.5 Å²	132.5	61%	0.61	71%	0.708	S	S	*	*			trans	33.6	126.5	149	-69.6	3.5	0	0	0	123.6
205	H	28	Very low	27.2	Very low	149 Å²	149	132.8 Å²	132.8	69%	0.69	71%	0.707	S	S	*	*				80.4	100.2	128.3	-69.3	-33.6	0	0	0	121.9
206	L	25.1	Very low	27.3	Very low	146 Å²	146	132.2 Å²	132.2	76%	0.764	71%	0.709	S	S	*	*				88.2	140.3	112.8	-76.3	168.5	0	0	0	121.1
207	S	25.4	Very low	27.4	Very low	97 Å²	97	137.9 Å²	137.9	68%	0.678	72%	0.719	S	S	*	*			trans	83.7	84.9	149.9	-57	0	0	0	0	119.9
208	T	31.1	Very low	27.7	Very low	110 Å²	110	135.4 Å²	135.4	68%	0.675	72%	0.717	S	S	*	*			trans	-11	134.9	130.9	55	0	0	0	0	118.5
209	P	34.4	Very low	27.9	Very low	124 Å²	124	137.2 Å²	137.2	81%	0.805	72%	0.723	S	S	*	*			trans	-97.1	116.3	134.5	32.4	-23.7	0	0	0	109
210	R	24.5	Very low	28.2	Very low	206 Å²	206	136.7 Å²	136.7	78%	0.777	72%	0.72	S	S	*	*			cis	64	117.8	20.4	-157.6	-171.9	-161.2	171.2	8	113.6
211	N	28.8	Very low	28.2	Very low	133 Å²	133	136.8 Å²	136.8	71%	0.711	72%	0.721	S	S	*	*			trans	164.1	147.3	148.9	-84.1	-23.1	0	0	0	109.4
212	Q	29.3	Very low	28.4	Very low	150 Å²	150	135.7 Å²	135.7	70%	0.701	72%	0.718	S	S	*	*			cis	-145.5	148	-9	-102	148.9	23.6	0	0	107.1
213	I	30	Very low	28.6	Very low	157 Å²	157	138.1 Å²	138.1	81%	0.805	73%	0.729	S	S	*	*	S	Bend		176.7	134.6	93.9	-84.4	173.9	0	0	0	104.3
214	H	30.6	Very low	29	Very low	159 Å²	159	133.7 Å²	133.7	74%	0.736	73%	0.725	S	S	*	*			cis	-146.3	169.2	-7.9	-132.6	-81.5	0	0	0	111.6
215	T	29.9	Very low	28.9	Very low	108 Å²	108	135.5 Å²	135.5	66%	0.663	73%	0.734	S	S	*	*			trans	-65.5	158.3	-176	50.6	0	0	0	0	117
216	T	29.7	Very low	28.7	Very low	125 Å²	125	132.8 Å²	132.8	77%	0.767	73%	0.732	S	S	*	*			cis	-164.9	-149.2	-12.2	31.6	0	0	0	0	106.9
217	R	27.7	Very low	28.6	Very low	225 Å²	225	133.5 Å²	133.5	85%	0.849	74%	0.735	S	S	*	*			cis	-171.1	149.4	5.4	-156.6	-176.8	176.6	-178.8	-0.7	111.6
218	A	29.6	Very low	28.6	Very low	82 Å²	82	134.1 Å²	134.1	68%	0.678	74%	0.735	S	S	*	*			trans	62.6	159.9	154.2	0	0	0	0	0	119.4
219	N	29	Very low	28.2	Very low	141 Å²	141	135.4 Å²	135.4	75%	0.754	74%	0.738	S	S	*	*			cis	-161.4	161.6	-14.4	-114.6	19.4	0	0	0	112.1
220	T	28.8	Very low	27.7	Very low	107 Å²	107	134.7 Å²	134.7	66%	0.656	73%	0.731	S	S	*	*			trans	53.9	114.7	148.8	55.9	0	0	0	0	123.3
221	D	28.8	Very low	27.6	Very low	145 Å²	145	130 Å²	130	78%	0.775	73%	0.725	S	S	*	*				67.6	163.1	124	-73.1	72.3	0	0	0	124.7
222	S	29.1	Very low	27.6	Very low	83 Å²	83	130.7 Å²	130.7	58%	0.58	73%	0.729	S	S	*	*			cis	-175.7	-177.7	-42	62.2	0	0	0	0	111.9
223	T	28	Very low	27.4	Very low	137 Å²	137	128.7 Å²	128.7	84%	0.84	73%	0.732	S	S	*	*			trans	74.6	158.6	169.1	58	0	0	0	0	120
224	P	35.8	Very low	27.3	Very low	110 Å²	110	126.1 Å²	126.1	71%	0.714	73%	0.725	S	S	*	*			trans	-133.5	-166.7	-151.3	45.5	-29	0	0	0	117
225	L	23.2	Very low	27	Very low	151 Å²	151	125.2 Å²	125.2	79%	0.791	73%	0.726	S	S	*	*			trans	90.8	117.8	154.9	-77.9	167.5	0	0	0	121.6
226	S	23.1	Very low	26.8	Very low	93 Å²	93	125.7 Å²	125.7	65%	0.65	73%	0.729	S	S	*	*				78	124	128.6	74.4	0	0	0	0	123
227	L	24.2	Very low	26.7	Very low	160 Å²	160	123.5 Å²	123.5	84%	0.838	72%	0.715	S	S	*	*				81.4	154.6	129.5	-93.3	167.2	0	0	0	121.5
228	V	24.1	Very low	26.6	Very low	111 Å²	111	117.1 Å²	117.1	67%	0.673	70%	0.702	S	S	*	*			trans	74.8	120.9	161.3	169.4	0	0	0	0	117.4
229	N	23.5	Very low	26.5	Very low	137 Å²	137	119.1 Å²	119.1	73%	0.733	71%	0.709	S	S	*	*			trans	35.2	146.1	135.4	-55.5	-0.8	0	0	0	120.5
230	T	23.7	Very low	26.4	Very low	108 Å²	108	116.1 Å²	116.1	66%	0.663	69%	0.693	S	S	*	*			cis	-173.6	-163.3	0.9	26	0	0	0	0	106.2
231	T	23.5	Very low	26.4	Very low	107 Å²	107	114.7 Å²	114.7	66%	0.656	69%	0.687	S	S	*	*			trans	72.4	124.3	143.2	40.6	0	0	0	0	119.3
232	N	26.9	Very low	26.4	Very low	149 Å²	149	112.9 Å²	112.9	80%	0.797	69%	0.686	S	S	*	*			trans	73.8	110.3	137.6	-56.4	-4.1	0	0	0	119.4
233	S	25.3	Very low	26.4	Very low	108 Å²	108	116.9 Å²	116.9	76%	0.755	70%	0.7	S	S	*	*			trans	-59.2	174.5	142.1	62.1	0	0	0	0	112
234	P	29.5	Very low	26.3	Very low	102 Å²	102	113.4 Å²	113.4	66%	0.662	69%	0.691	S	S	*	*			cis	-135.7	-174.2	6.1	39.5	-19.8	0	0	0	114.9
235	N	23	Very low	26.1	Very low	140 Å²	140	114.7 Å²	114.7	75%	0.749	70%	0.7	S	S	*	*			trans	24	144	140.6	-53.6	-10.1	0	0	0	119.8
236	T	26.5	Very low	26.1	Very low	119 Å²	119	110.8 Å²	110.8	73%	0.73	69%	0.685	S	S	*	*			cis	-174.2	137.1	38.7	-12.8	0	0	0	0	114.1
237	V	26.9	Very low	26.1	Very low	78 Å²	78	113.9 Å²	113.9	47%	0.473	69%	0.693	S	S	.	*			trans	53.7	96.9	131.7	179.5	0	0	0	0	121	R249	V237-R249 PolarHBondContact O-NH1 3.01Å; V237-R249 PolarHBondContact O-NH2 3.04Å
238	T	26.8	Very low	26.1	Very low	92 Å²	92	110.6 Å²	110.6	56%	0.564	69%	0.689	S	S	*	*				77.7	160.2	95.6	86.1	0	0	0	0	118	D240 R249	T238-D240 WeakPolarHBondContact CB-OD2 3.31Å; T238-D240 PolarHBondContact OG1-OD2 3.39Å; T238-R249 PolarHBondContact O-NH1 3.36Å
239	C	27.8	Very low	26.2	Very low	123 Å²	123	113 Å²	113	83%	0.831	69%	0.686	S	S	*	*			trans	-140.7	165.2	139.4	-139.1	0	0	0	0	109
240	D	26.7	Very low	26.3	Very low	79 Å²	79	111.1 Å²	111.1	42%	0.422	68%	0.684	S	S	.	*			trans	-144.9	149.4	-155.9	-76.5	-104.3	0	0	0	111	T238 S246	T238-D240 WeakPolarHBondContact CB-OD2 3.31Å; T238-D240 PolarHBondContact OG1-OD2 3.39Å; D240-S246 WeakPolarHBondContact OD1-CB 3.4Å; D240-S246 PolarHBondContact OD1-OG 3.48Å
241	S	28.8	Very low	26.4	Very low	76 Å²	76	115.8 Å²	115.8	53%	0.531	70%	0.695	S	S	.	*			cis	-152.9	-171.7	-4.6	59.9	0	0	0	0	110
242	S	29	Very low	26.4	Very low	108 Å²	108	119.1 Å²	119.1	76%	0.755	70%	0.701	S	S	*	*	S	Bend		-177.1	144.4	100.1	40	0	0	0	0	111.4
243	L	28.5	Very low	26.5	Very low	167 Å²	167	119 Å²	119	87%	0.874	70%	0.7	S	S	*	*	S	Bend	cis	-156.2	132.5	-11.9	-94.9	159.1	0	0	0	105
244	G	26.4	Very low	26.6	Very low	63 Å²	63	120.1 Å²	120.1	65%	0.649	70%	0.696	S	S	*	*	S	Bend	cis	-162.9	149.7	-14.9	0	0	0	0	0	106.6
245	P	30.4	Very low	26.5	Very low	138 Å²	138	122.2 Å²	122.2	90%	0.896	70%	0.701	S	S	*	*				-131.9	129.2	74.5	35.2	-23.3	0	0	0	113.3
246	S	22.7	Very low	26.6	Very low	69 Å²	69	122.9 Å²	122.9	48%	0.483	70%	0.704	S	S	.	*			trans	-139.6	166.6	169.3	75.4	0	0	0	0	111.6	D240	D240-S246 WeakPolarHBondContact OD1-CB 3.4Å; D240-S246 PolarHBondContact OD1-OG 3.48Å
247	L	24.2	Very low	26.6	Very low	158 Å²	158	120.5 Å²	120.5	83%	0.827	70%	0.703	S	S	*	*			trans	-115.5	113.5	-169.8	-99.7	165.9	0	0	0	112
248	A	24.9	Very low	26.5	Very low	91 Å²	91	127.9 Å²	127.9	75%	0.752	72%	0.722	S	S	*	*			trans	45.7	109	148	0	0	0	0	0	120.3
249	R	26.1	Very low	26.6	Very low	161 Å²	161	130.6 Å²	130.6	61%	0.608	73%	0.732	S	S	*	*			trans	-156.8	170.1	151.3	-103.6	179.3	-174.9	165.8	4.9	110.1	V237 T238	V237-R249 PolarHBondContact O-NH1 3.01Å; V237-R249 PolarHBondContact O-NH2 3.04Å; T238-R249 PolarHBondContact O-NH1 3.36Å
250	S	25	Very low	26.4	Very low	97 Å²	97	131 Å²	131	68%	0.678	72%	0.721	S	S	*	*				-172.1	120.9	-79.5	176.9	0	0	0	0	110.1
251	F	25.9	Very low	26.7	Very low	207 Å²	207	131.5 Å²	131.5	91%	0.908	73%	0.729	S	S	*	*			trans	-148.4	115.1	159.5	-102.4	-86.3	0	0	0	106.5
252	K	23.9	Very low	26.5	Very low	176 Å²	176	131.9 Å²	131.9	77%	0.765	73%	0.725	S	S	*	*			cis	103.9	88.8	20.3	-168.5	-164.1	175.7	-173.3	0	112.4
253	D	27.3	Very low	26.2	Very low	148 Å²	148	133 Å²	133	79%	0.791	72%	0.718	S	S	*	*			trans	-151.5	156	157.8	-90.5	-30.8	0	0	0	107.5
254	I	28.4	Very low	26.1	Very low	130 Å²	130	128.7 Å²	128.7	67%	0.667	71%	0.714	S	S	*	*			cis	-161.8	140.6	-34.2	-143.2	176.4	0	0	0	107.8
255	L	27.1	Very low	26.1	Very low	146 Å²	146	131 Å²	131	76%	0.764	73%	0.727	S	S	*	*			trans	60.3	-178.3	169.9	-51.6	175.1	0	0	0	115.7
256	L	25.7	Very low	26	Very low	155 Å²	155	128 Å²	128	81%	0.812	72%	0.721	S	S	*	*			cis	-154.4	144.4	-48.9	-105	174	0	0	0	110.5
257	G	27.3	Very low	26.3	Very low	69 Å²	69	131.1 Å²	131.1	71%	0.711	74%	0.737	S	S	*	*			trans	62.3	-165.4	160	0	0	0	0	0	116.8
258	R	23.5	Very low	26.5	Very low	232 Å²	232	128.4 Å²	128.4	88%	0.875	73%	0.731	S	S	*	*			cis	-174.4	146	-39.7	-125.1	-175.5	178.8	-176.2	0.7	107.9
259	I	28.8	Very low	26.7	Very low	149 Å²	149	134.9 Å²	134.9	76%	0.764	74%	0.736	S	S	*	*			trans	79.3	146.1	154.5	-59.6	160.3	0	0	0	118.9
260	H	23.2	Very low	26.8	Very low	133 Å²	133	132.7 Å²	132.7	62%	0.616	75%	0.746	S	S	*	*			trans	-70.5	-168.1	174.2	-73.6	-98.4	0	0	0	114	E301	H260-E301 IonicContact CE1-OE2 3.51Å; H260-E301 PolarHBondContact CE1-OE2 3.02Å; H260-E301 IonicContact CG-OE2 3.02Å; H260-E301 IonicContact ND1-OE2 3.91Å; H260-E301 PolarHBondContact ND1-OE2 2.79Å
261	P	34.1	Very low	27	Very low	89 Å²	89	132 Å²	132	58%	0.578	75%	0.745	S	S	*	*				-138.6	-179.1	-59.1	41.3	-25.2	0	0	0	114.9
262	N	23.6	Very low	27.1	Very low	83 Å²	83	127.1 Å²	127.1	44%	0.444	74%	0.737	S	S	.	*			trans	67.5	129.6	144.4	-92.2	-65.4	0	0	0	124.2
263	Q	24.4	Very low	27.3	Very low	132 Å²	132	127.3 Å²	127.3	62%	0.617	74%	0.735	S	S	*	*			trans	74.3	135.8	148.3	-61.5	178.5	61.5	0	0	120	S298	Q263-S298 VanDerWaalsContact NE2-C 3.31Å; Q263-S298 PolarHBondContact NE2-O 3.2Å; Q263-S298 PolarHBondContact OE1-OG 3.4Å
264	G	26.2	Very low	27.4	Very low	77 Å²	77	128.2 Å²	128.2	79%	0.794	73%	0.727	S	S	*	*			trans	177.4	-10.8	179.6	0	0	0	0	0	121.4
265	A	25.9	Very low	27.4	Very low	111 Å²	111	132.3 Å²	132.3	92%	0.917	73%	0.734	S	S	*	*			trans	45.1	121.1	164.1	0	0	0	0	0	122.8
266	G	27.6	Very low	27.5	Very low	74 Å²	74	133 Å²	133	76%	0.763	74%	0.737	S	S	*	*			trans	120.3	152.7	143.1	0	0	0	0	0	117.7
267	T	29.3	Very low	27.5	Very low	136 Å²	136	129.7 Å²	129.7	83%	0.834	73%	0.731	S	S	*	*			cis	-155.2	165.1	-10.7	58.1	0	0	0	0	111.2
268	S	29	Very low	27.4	Very low	100 Å²	100	138.2 Å²	138.2	70%	0.699	74%	0.742	S	S	*	*			trans	66.9	129.9	158.2	175.4	0	0	0	0	117.4
269	R	28.9	Very low	27.4	Very low	228 Å²	228	131.3 Å²	131.3	86%	0.86	74%	0.735	S	S	*	*			cis	-157	166.8	7.1	-111.7	163.8	-176	179.3	0.6	108.1
270	S	28.1	Very low	27.1	Very low	114 Å²	114	134.3 Å²	134.3	80%	0.797	74%	0.737	S	S	*	*			cis	-117.2	-101.7	-5	47.5	0	0	0	0	111.9
271	A	29.6	Very low	27.2	Very low	82 Å²	82	137.3 Å²	137.3	68%	0.678	74%	0.743	S	S	*	*			cis	-149.4	167.1	-7.6	0	0	0	0	0	109.4
272	S	27.4	Very low	26.9	Very low	105 Å²	105	139.4 Å²	139.4	73%	0.734	74%	0.744	S	S	*	*			trans	-160.7	158.6	179.2	-81.1	0	0	0	0	111.9
273	Y	28.5	Very low	27.1	Very low	181 Å²	181	142.7 Å²	142.7	71%	0.71	76%	0.757	S	S	*	*			cis	-146.9	129.5	46.1	-116.9	-105.6	0	0	0	115.9
274	R	29.1	Very low	27.3	Very low	166 Å²	166	140.5 Å²	140.5	63%	0.626	76%	0.756	S	S	*	*			trans	42.1	140.2	136.2	-62	-168.2	-160	-173.1	12.5	122.7
275	R	29.2	Very low	27.2	Very low	217 Å²	217	143.2 Å²	143.2	82%	0.819	76%	0.758	S	S	*	*			cis	-161.9	154.6	-20.9	-131	170.9	-154	167.9	6	113.1
276	I	27.4	Very low	27.3	Very low	160 Å²	160	141.6 Å²	141.6	82%	0.821	75%	0.752	S	S	*	*			trans	-63.7	152.8	178.9	-65	156.5	0	0	0	113
277	A	26.1	Very low	27.2	Very low	85 Å²	85	143.3 Å²	143.3	70%	0.702	75%	0.752	S	S	*	*			trans	-56.7	173.9	171.4	0	0	0	0	0	115.2
278	R	25.4	Very low	27.1	Very low	248 Å²	248	142.4 Å²	142.4	94%	0.936	75%	0.746	S	S	*	*				-161.9	161.5	119.2	-113.6	172.8	-174.6	166.4	2.4	113.4
279	A	23.2	Very low	27	Very low	87 Å²	87	145 Å²	145	72%	0.719	75%	0.751	S	S	*	*			trans	-87.1	142.4	168.9	0	0	0	0	0	110.8
280	R	23.7	Very low	27	Very low	213 Å²	213	137.9 Å²	137.9	80%	0.804	74%	0.741	S	S	*	*			trans	75.8	119.7	153.1	-69	-167.1	178.2	-171.4	0.6	122.4
281	W	25.3	Very low	27	Very low	196 Å²	196	137.6 Å²	137.6	74%	0.742	74%	0.739	S	S	*	*			trans	64.3	164.7	141.8	-57.4	43.5	0	0	0	114
282	H	27.4	Very low	27	Very low	133 Å²	133	139 Å²	139	62%	0.616	74%	0.744	S	S	*	*			cis	-143.3	146.7	11.4	-123.7	-84.7	0	0	0	108.4
283	H	27.1	Very low	27	Very low	151 Å²	151	139 Å²	139	70%	0.699	74%	0.744	S	S	*	*			trans	46.5	157.1	130.9	-78.1	-131.9	0	0	0	121.9
284	S	27.9	Very low	26.9	Very low	87 Å²	87	135.9 Å²	135.9	61%	0.608	74%	0.743	S	S	*	*			cis	-177.5	-149.7	-15.8	54.6	0	0	0	0	108.2
285	T	25.6	Very low	26.8	Very low	134 Å²	134	134.6 Å²	134.6	82%	0.822	75%	0.748	S	S	*	*			trans	90.2	161.1	163.8	78.5	0	0	0	0	117.7
286	G	26.6	Very low	26.7	Very low	77 Å²	77	136 Å²	136	79%	0.794	75%	0.753	S	S	*	*	S	Bend	trans	92.3	74.5	-162.2	0	0	0	0	0	111.5
287	S	26.3	Very low	26.7	Very low	109 Å²	109	131.5 Å²	131.5	76%	0.762	75%	0.746	S	S	*	*	S	Bend	cis	-148.2	160.2	5	-143.5	0	0	0	0	107.8
288	V	27.2	Very low	26.6	Very low	118 Å²	118	131.4 Å²	131.4	72%	0.715	74%	0.741	S	S	*	*	S	Bend	cis	-143.6	142.8	34.2	172.3	0	0	0	0	111.7
289	L	27.8	Very low	26.6	Very low	154 Å²	154	122.3 Å²	122.3	81%	0.806	72%	0.724	S	S	*	*			trans	66.8	104.8	164	-74	167.3	0	0	0	121.6
290	A	28.5	Very low	26.9	Very low	79 Å²	79	122.6 Å²	122.6	65%	0.653	72%	0.72	S	S	*	*				77.9	141.2	115.4	0	0	0	0	0	121.4
291	S	28.5	Very low	27	Very low	108 Å²	108	117.1 Å²	117.1	76%	0.755	70%	0.704	S	S	*	*			cis	-163.7	145.4	-15.3	-101.6	0	0	0	0	111.4
292	S	28.9	Very low	27.1	Very low	112 Å²	112	115 Å²	115	78%	0.783	70%	0.703	S	S	*	*			trans	42.4	149.6	140.5	-58.2	0	0	0	0	123.1
293	S	26.6	Very low	27	Very low	104 Å²	104	117.4 Å²	117.4	73%	0.727	71%	0.707	S	S	*	*			cis	-178.2	176.4	-19.1	55.7	0	0	0	0	108.4
294	V	27.3	Very low	26.8	Very low	115 Å²	115	116.5 Å²	116.5	70%	0.697	71%	0.707	S	S	*	*				114.8	49.8	126.4	176.6	0	0	0	0	125.1
295	I	26.3	Very low	26.7	Very low	140 Å²	140	118.6 Å²	118.6	72%	0.718	72%	0.716	S	S	*	*			trans	65.1	145.5	146.7	-67.3	168.3	0	0	0	123.4
296	R	26.8	Very low	26.7	Very low	245 Å²	245	116.3 Å²	116.3	93%	0.925	71%	0.711	S	S	*	*			trans	75.8	154.7	157.7	-88.1	169.7	-173.4	-167	2.6	121.5
297	G	27.2	Very low	26.8	Very low	67 Å²	67	120.1 Å²	120.1	69%	0.691	71%	0.713	S	S	*	*			trans	86.9	129.1	164.1	0	0	0	0	0	114.9
298	S	24.7	Very low	26.8	Very low	83 Å²	83	122.8 Å²	122.8	58%	0.58	72%	0.715	S	S	*	*			cis	82.2	116.8	18.4	72.3	0	0	0	0	117.9	Q263	Q263-S298 VanDerWaalsContact NE2-C 3.31Å; Q263-S298 PolarHBondContact NE2-O 3.2Å; Q263-S298 PolarHBondContact OE1-OG 3.4Å
299	G	26.5	Very low	26.7	Very low	56 Å²	56	123.9 Å²	123.9	58%	0.577	72%	0.717	S	S	*	*			trans	82.2	147.4	-173.7	0	0	0	0	0	113.3
300	S	28.4	Very low	26.7	Very low	93 Å²	93	126.9 Å²	126.9	65%	0.65	72%	0.718	S	S	*	*			cis	-154.1	153.4	-7.4	54.2	0	0	0	0	111.6
301	E	26.7	Very low	26.5	Very low	99 Å²	99	128.7 Å²	128.7	46%	0.463	72%	0.717	S	S	.	*			trans	10.4	125.7	143.4	-75.3	148.3	-172.1	0	0	119.1	H260	H260-E301 IonicContact CE1-OE2 3.51Å; H260-E301 PolarHBondContact CE1-OE2 3.02Å; H260-E301 IonicContact CG-OE2 3.02Å; H260-E301 IonicContact ND1-OE2 3.91Å; H260-E301 PolarHBondContact ND1-OE2 2.79Å
302	E	26.3	Very low	26.4	Very low	152 Å²	152	129.7 Å²	129.7	71%	0.71	72%	0.718	S	S	*	*				70.4	147	81.9	-68.6	-159.8	156	0	0	114
303	Y	24.9	Very low	26.4	Very low	182 Å²	182	131.9 Å²	131.9	71%	0.714	72%	0.72	S	S	*	*			cis	-163.8	160.3	-22.2	-117.1	-43.1	0	0	0	108.9
304	L	24	Very low	26.5	Very low	133 Å²	133	132.1 Å²	132.1	70%	0.696	72%	0.722	S	S	*	*			trans	52.8	128.1	144.7	-67	165.5	0	0	0	123.2
305	T	24.7	Very low	26.7	Very low	131 Å²	131	134.1 Å²	134.1	80%	0.804	72%	0.724	S	S	*	*			trans	87.5	136.9	131.5	50.6	0	0	0	0	124.5
306	A	26.5	Very low	26.7	Very low	86 Å²	86	134.2 Å²	134.2	71%	0.711	72%	0.721	S	S	*	*			trans	82.7	89.1	141.5	0	0	0	0	0	121.8
307	N	27.7	Very low	26.9	Very low	156 Å²	156	128.6 Å²	128.6	83%	0.834	71%	0.705	S	S	*	*				52.9	154.2	126	-68.5	-4.8	0	0	0	123.3
308	M	26.2	Very low	27	Very low	165 Å²	165	129.8 Å²	129.8	81%	0.813	70%	0.703	S	S	*	*			trans	85.7	77.2	167	-55.7	-64	-172	0	0	118.4
309	N	26.4	Very low	27.3	Very low	142 Å²	142	132.6 Å²	132.6	76%	0.759	71%	0.707	S	S	*	*				43.3	131.6	114.8	-73.4	-2.3	0	0	0	122.5
310	R	26.8	Very low	27.4	Very low	216 Å²	216	136 Å²	136	82%	0.815	71%	0.712	S	S	*	*			trans	72.5	149	146.2	-66.4	-172	152.1	170.7	-2.7	118.5
311	D	25.3	Very low	27.2	Very low	117 Å²	117	138 Å²	138	63%	0.626	71%	0.714	S	S	*	*			cis	-159.1	155	-16.6	-94.5	-29	0	0	0	108.9
312	T	26.5	Very low	27.1	Very low	129 Å²	129	138.6 Å²	138.6	79%	0.791	73%	0.725	S	S	*	*				137.4	155.8	129	58.3	0	0	0	0	117
313	L	28.7	Very low	27	Very low	158 Å²	158	137.5 Å²	137.5	83%	0.827	73%	0.734	S	S	*	*			trans	84.5	107.1	165.6	-66.9	169.8	0	0	0	120.4
314	S	27.7	Very low	27.1	Very low	110 Å²	110	132.6 Å²	132.6	77%	0.769	74%	0.739	S	S	*	*			trans	68.7	137.2	155.8	74.2	0	0	0	0	118.2
315	H	31.3	Very low	27.1	Very low	156 Å²	156	135 Å²	135	72%	0.722	75%	0.749	S	S	*	*			cis	-132.2	143.6	-3.3	-113.7	-88.7	0	0	0	109.8
316	Q	26.9	Very low	26.9	Very low	142 Å²	142	133.5 Å²	133.5	66%	0.664	74%	0.743	S	S	*	*			trans	28.1	140.3	139.7	-65.4	-179.6	-57.4	0	0	120.9
317	H	30.7	Very low	27	Very low	128 Å²	128	138.6 Å²	138.6	59%	0.593	75%	0.75	S	S	*	*			cis	-163.3	158.4	5	-125.8	-54.4	0	0	0	111.6	E319	H317-E319 IonicContact CE1-OE1 3.68Å; H317-E319 IonicContact ND1-OE1 2.76Å; H317-E319 PolarHBondContact ND1-OE1 3.1Å; H317-E319 IonicContact ND1-OE2 3.7Å
318	S	29.3	Very low	27	Very low	92 Å²	92	136.6 Å²	136.6	64%	0.643	75%	0.748	S	S	*	*			trans	68.1	153.4	135.2	73.6	0	0	0	0	124.8
319	E	31.5	Very low	26.9	Very low	142 Å²	142	133.8 Å²	133.8	66%	0.664	74%	0.744	S	S	*	*			cis	173.3	142.8	-33	-91.1	123.2	-125.2	0	0	103.5	H317	H317-E319 IonicContact CE1-OE1 3.68Å; H317-E319 IonicContact ND1-OE1 2.76Å; H317-E319 PolarHBondContact ND1-OE1 3.1Å; H317-E319 IonicContact ND1-OE2 3.7Å
320	D	28.7	Very low	27.1	Very low	127 Å²	127	132.5 Å²	132.5	68%	0.679	74%	0.744	S	S	*	*			cis	-150.7	172.1	-3.9	-130.8	15.6	0	0	0	108.4
321	L	24.8	Very low	27.1	Very low	135 Å²	135	127 Å²	127	71%	0.707	74%	0.738	S	S	*	*				35.8	143.7	89.4	-46.3	-178.8	0	0	0	115.2
322	T	24.2	Very low	27.3	Very low	112 Å²	112	125.5 Å²	125.5	69%	0.687	74%	0.737	S	S	*	*			cis	-162.6	155.7	-1.9	3.9	0	0	0	0	111.7
323	S	24.2	Very low	27.5	Very low	128 Å²	128	125.5 Å²	125.5	90%	0.895	73%	0.732	S	S	*	*			trans	67	155.7	151.3	79.2	0	0	0	0	119.9
324	G	26.6	Very low	27.6	Very low	79 Å²	79	127 Å²	127	81%	0.814	73%	0.732	S	S	*	*			trans	145.1	114.6	172.4	0	0	0	0	0	113.4
325	M	23.6	Very low	27.8	Very low	185 Å²	185	129.8 Å²	129.8	91%	0.911	73%	0.733	S	S	*	*			trans	-110.5	158.6	177.6	-71.2	178.1	70.3	0	0	112.5
326	S	22.2	Very low	27.7	Very low	98 Å²	98	130 Å²	130	69%	0.685	74%	0.739	S	S	*	*			trans	89.5	146	166.1	84.7	0	0	0	0	118.5
327	K	27.8	Very low	28.1	Very low	194 Å²	194	128 Å²	128	84%	0.843	74%	0.738	S	S	*	*			trans	71.5	145.3	169.5	-55.6	163.2	-168.7	173	0	114.8
328	S	28.1	Very low	28	Very low	114 Å²	114	128 Å²	128	80%	0.797	75%	0.747	S	S	*	*			cis	-160.3	166.7	-12.4	43.2	0	0	0	0	112.3
329	S	22.7	Very low	28	Very low	106 Å²	106	128 Å²	128	74%	0.741	75%	0.747	S	S	*	*			trans	-57.4	176.7	164.2	-42.7	0	0	0	0	112.5
330	P	31.8	Very low	27.9	Very low	114 Å²	114	130.3 Å²	130.3	74%	0.74	76%	0.755	S	S	*	*			cis	-150.6	-161.7	23.8	47	-24.9	0	0	0	118.4
331	S	25.6	Very low	27.9	Very low	100 Å²	100	131.9 Å²	131.9	70%	0.699	76%	0.762	S	S	*	*			trans	-35.7	163.1	163.5	53.2	0	0	0	0	118.4
332	S	30.5	Very low	28.1	Very low	87 Å²	87	129.5 Å²	129.5	61%	0.608	76%	0.757	S	S	*	*			cis	175.7	169.9	-22.1	66.7	0	0	0	0	108.6
333	N	30	Very low	28.2	Very low	129 Å²	129	134.8 Å²	134.8	69%	0.69	77%	0.765	S	S	*	*	S	Bend	trans	-179.6	145.4	131.1	-102.9	-89.9	0	0	0	107.3
334	K	30.5	Very low	28.2	Very low	190 Å²	190	136.5 Å²	136.5	83%	0.826	76%	0.756	S	S	*	*			cis	-145.8	151.9	-17.1	-134	169.9	-160.2	158.9	0	107.4
335	H	32.7	Very low	28.1	Very low	167 Å²	167	142.9 Å²	142.9	77%	0.773	76%	0.756	S	S	*	*			trans	-98.3	154.9	-160.7	-75.3	-67.9	0	0	0	117.1
336	N	28.8	Very low	28.2	Very low	162 Å²	162	139.9 Å²	139.9	87%	0.866	75%	0.748	S	S	*	*				-146.9	152.5	128.4	-104.6	-27.7	0	0	0	109.6
337	P	35.5	Very low	28.4	Very low	99 Å²	99	139.7 Å²	139.7	64%	0.643	75%	0.746	S	S	*	*			trans	-117.5	154.7	-138.3	7.3	16.9	0	0	0	117.3
338	V	29	Very low	28.3	Very low	127 Å²	127	139.5 Å²	139.5	77%	0.77	75%	0.745	S	S	*	*			trans	56.6	105.1	139.2	-179.4	0	0	0	0	116.7
339	S	29.2	Very low	28.2	Very low	92 Å²	92	140.9 Å²	140.9	64%	0.643	73%	0.733	S	S	*	*			cis	70.9	145.4	40.8	108	0	0	0	0	114
340	K	30.5	Very low	28.5	Very low	191 Å²	191	140.2 Å²	140.2	83%	0.83	71%	0.714	S	S	*	*			cis	-156.4	166.6	18.5	-138	162.4	-173.2	177.3	0	113.1
341	L	28	Very low	28.2	Very low	160 Å²	160	136.3 Å²	136.3	84%	0.838	69%	0.69	S	S	*	*			trans	-47.5	161.5	160.1	-75.8	152.1	0	0	0	113.8
342	S	28.2	Very low	28.3	Very low	86 Å²	86	138 Å²	138	60%	0.601	68%	0.681	S	S	*	*			cis	-175.5	177.9	-2.1	53.4	0	0	0	0	114.5
343	R	27	Very low	28.1	Very low	222 Å²	222	141.8 Å²	141.8	84%	0.838	69%	0.686	S	S	*	*			trans	88.6	132.8	145.6	-82.7	176.8	-171.4	-179.2	5	121.5
344	F	24.2	Very low	27.9	Very low	164 Å²	164	140 Å²	140	72%	0.719	68%	0.684	S	S	*	*			trans	64.2	100.6	153.3	-79.3	-78.8	0	0	0	124.3
345	R	24.9	Very low	27.8	Very low	214 Å²	214	140 Å²	140	81%	0.808	68%	0.68	S	S	*	*				61.7	119.8	128.8	-81.3	-169.1	171.7	158.5	-2.7	123
346	V	25.2	Very low	27.4	Very low	122 Å²	122	137.7 Å²	137.7	74%	0.739	68%	0.678	S	S	*	*			trans	82.6	90.5	130	-178.1	0	0	0	0	118.8
347	S	25.4	Very low	27.7	Very low	93 Å²	93	135.3 Å²	135.3	65%	0.65	67%	0.671	S	S	*	*				68.6	109.5	124.2	-59.6	0	0	0	0	122.4
348	K	27.1	Very low	27.6	Very low	190 Å²	190	136.1 Å²	136.1	83%	0.826	68%	0.677	S	S	*	*			trans	76.8	124.7	144.7	-56.8	168.5	-175.6	169.1	0	116.5
349	R	26.1	Very low	27.4	Very low	143 Å²	143	134.2 Å²	134.2	54%	0.54	67%	0.674	S	S	.	*			cis	176.6	143.6	0.1	-133.3	172.4	160.2	-149	1.5	116.1
350	R	27.5	Very low	27.2	Very low	93 Å²	93	138.1 Å²	138.1	35%	0.351	68%	0.682	S	S	.	*			trans	80	178.3	154	-49.7	119.6	94.6	-166.1	4.1	120.9	P994 D996 L997	R350-P994 WeakPolarHBondContact CD-O 3.45Å; R350-P994 WeakPolarHBondContact CG-O 3.47Å; R350-P994 PolarHBondContact NE-O 3.1Å; R350-D996 HydrophobicContact CB-CB 3.9Å; R350-D996 PolarHBondContact NE-O 3.14Å; R350-D996 PolarHBondContact NH2-O 3.39Å; R350-L997 WeakPolarHBondContact CD-O 3.49Å; R350-L997 PolarHBondContact NH1-O 2.74Å
351	S	25.8	Very low	27.1	Very low	32 Å²	32	136.1 Å²	136.1	22%	0.224	68%	0.679	C	S	.	*			trans	102.9	165.6	137.2	-22.3	0	0	0	0	125	D996 L997 S998 H999	S351-D996 WeakPolarHBondContact CA-OD1 3.29Å; S351-D996 PolarHBondContact N-OD1 2.96Å; S351-D996 VanDerWaalsContact N-OD1 3.07Å; S351-L997 WeakPolarHBondContact OG-CA 3.47Å; S351-L997 PolarHBondContact OG-N 2.9Å; S351-S998 WeakPolarHBondContact OG-CA 3.45Å; S351-S998 PolarHBondContact OG-N 2.9Å; S351-S998 PolarHBondContact OG-O 2.69Å; S351-S998 VanDerWaalsContact OG-O 3.08Å; S351-H999 WeakPolarHBondContact O-CB 3.5Å
352	R	28.1	Very low	26.9	Very low	136 Å²	136	132.5 Å²	132.5	51%	0.513	67%	0.672	S	S	.	*				-162.1	119.4	-63.1	-157.1	-171.4	-128.8	-152.5	5	111.8	K995 D996	R352-K995 PolarHBondContact NH2-O 2.74Å; R352-D996 HydrophobicContact CB-CB 3.53Å; R352-D996 WeakPolarHBondContact CD-OD2 3.46Å; R352-D996 HydrophobicContact CG-CB 3.69Å; R352-D996 WeakPolarHBondContact CG-OD2 3.44Å; R352-D996 IonicContact CZ-OD2 3.76Å; R352-D996 IonicContact NE-OD2 2.79Å; R352-D996 PolarHBondContact NE-OD2 3.35Å; R352-D996 IonicContact NH2-OD2 2.69Å
353	F	27.2	Very low	26.9	Very low	165 Å²	165	134 Å²	134	72%	0.724	68%	0.682	S	S	*	*			trans	62.6	145.2	161	-63.6	-20.7	0	0	0	117.4
354	S	26.1	Very low	26.8	Very low	91 Å²	91	132.2 Å²	132.2	64%	0.636	68%	0.684	S	S	*	*			cis	-171	-167.3	-6.9	49.6	0	0	0	0	109.2
355	Y	27.2	Very low	27.4	Very low	191 Å²	191	128.7 Å²	128.7	75%	0.749	68%	0.677	S	S	*	*			cis	-158.1	102.9	5.1	-132.4	-39.2	0	0	0	112.8
356	T	25.5	Very low	27.5	Very low	119 Å²	119	126.5 Å²	126.5	73%	0.73	68%	0.676	S	S	*	*			trans	60.9	-168.2	148.5	50.6	0	0	0	0	119.6
357	P	34.9	Very low	27.7	Very low	112 Å²	112	125.6 Å²	125.6	73%	0.727	67%	0.671	S	S	*	*				-117.4	-161.5	-72	42.2	-27.6	0	0	0	110.9
358	P	31.7	Very low	27.8	Very low	116 Å²	116	126.5 Å²	126.5	75%	0.753	67%	0.669	S	S	*	*			cis	-119	177.1	48.1	12.3	14.7	0	0	0	112.3
359	A	26.2	Very low	28.2	Very low	87 Å²	87	123.6 Å²	123.6	72%	0.719	67%	0.666	S	S	*	*			cis	67.6	139.8	45.4	0	0	0	0	0	113.7
360	H	24.9	Very low	28.3	Very low	173 Å²	173	119.5 Å²	119.5	80%	0.801	66%	0.656	S	S	*	*			cis	-158.1	178	10.7	-143.7	-73.5	0	0	0	110.2
361	I	27	Very low	28.4	Very low	149 Å²	149	118.8 Å²	118.8	76%	0.764	66%	0.664	S	S	*	*			trans	88.9	121.6	154	-66	158.5	0	0	0	121.5
362	A	25.4	Very low	28.7	Very low	85 Å²	85	125 Å²	125	70%	0.702	69%	0.69	S	S	*	*			trans	66.6	156.7	143.4	0	0	0	0	0	126.6
363	S	28.3	Very low	28.8	Very low	117 Å²	117	124 Å²	124	82%	0.818	70%	0.695	S	S	*	*			trans	74.8	110.3	151.4	25.1	0	0	0	0	122.1
364	E	24.6	Very low	29.5	Very low	184 Å²	184	120.4 Å²	120.4	86%	0.86	69%	0.688	S	S	*	*			trans	-74.7	-178	133	-46.6	-175.8	132	0	0	108.8
365	P	36	Very low	29.8	Very low	91 Å²	91	126.9 Å²	126.9	59%	0.591	70%	0.7	S	S	*	*			cis	-139.3	-163.1	3.1	37.3	-14.1	0	0	0	114.8
366	E	26.8	Very low	30.1	Very low	168 Å²	168	120.8 Å²	120.8	79%	0.785	70%	0.695	S	S	*	*			trans	65.4	167.1	143.4	-83.2	152.6	-133.3	0	0	120.2
367	T	30.8	Very low	30.5	Very low	103 Å²	103	122.5 Å²	122.5	63%	0.632	70%	0.7	S	S	*	*			cis	-136.9	142.5	1.3	42.9	0	0	0	0	112
368	D	27.5	Very low	30.2	Very low	111 Å²	111	124.2 Å²	124.2	59%	0.594	70%	0.703	S	S	*	*				54.8	174.2	127.9	-51.5	-18.1	0	0	0	120.9
369	V	33.9	Very low	30.2	Very low	129 Å²	129	121.4 Å²	121.4	78%	0.782	70%	0.695	S	S	*	*			cis	-140.1	123.6	20.2	-175.8	0	0	0	0	107.5
370	N	29.7	Very low	30.5	Very low	58 Å²	58	127 Å²	127	31%	0.31	70%	0.703	S	S	.	*				61.5	150	74.6	-68.1	-27	0	0	0	114.4	D417 S418	N370-D417 WeakPolarHBondContact OD1-CB 3.29Å; N370-S418 PolarHBondContact OD1-N 2.74Å
371	S	29	Very low	30.8	Very low	77 Å²	77	128.8 Å²	128.8	54%	0.538	70%	0.703	S	S	.	*			cis	-169.3	-156	-21.1	57.2	0	0	0	0	109.1
372	E	31.2	Very low	31	Very low	162 Å²	162	129.2 Å²	129.2	76%	0.757	70%	0.699	S	S	*	*			trans	92.9	146.1	157.9	-62.6	-124.4	115.9	0	0	121.3
373	N	30.8	Very low	31.3	Very low	117 Å²	117	129.1 Å²	129.1	63%	0.626	69%	0.694	S	S	*	*			cis	-158.6	-155	-32.9	-142.2	-15.6	0	0	0	111.1
374	P	40.8	Very low	31.4	Very low	88 Å²	88	135 Å²	135	57%	0.571	70%	0.698	S	S	*	*				-130.9	-132.6	-128.9	48	-28	0	0	0	116.7
375	Y	33.9	Very low	32.1	Very low	228 Å²	228	131.6 Å²	131.6	89%	0.894	69%	0.692	S	S	*	*			trans	88.6	134.8	178.3	-57.4	-76.2	0	0	0	117.3
376	G	32.5	Very low	31.9	Very low	62 Å²	62	134.8 Å²	134.8	64%	0.639	70%	0.702	S	S	*	*			cis	171.8	170.8	-9.8	0	0	0	0	0	115.1
377	N	33.5	Very low	32.2	Very low	155 Å²	155	135.5 Å²	135.5	83%	0.829	71%	0.705	S	S	*	*			trans	65.7	162.1	165.9	-76.1	-26.8	0	0	0	120.5
378	N	29.7	Very low	32.5	Very low	148 Å²	148	136.3 Å²	136.3	79%	0.791	71%	0.712	S	S	*	*				-169.7	156.2	-50.7	-126.5	-45.8	0	0	0	111.7
379	G	31.9	Very low	32.6	Very low	57 Å²	57	134.3 Å²	134.3	59%	0.588	72%	0.718	S	S	*	*			trans	141.1	95.9	171.9	0	0	0	0	0	113.4
380	K	33	Very low	32.6	Very low	205 Å²	205	136.8 Å²	136.8	89%	0.891	72%	0.72	S	S	*	*				63	122.5	84.7	-63.8	174	-178.4	176	0	111.7
381	R	30.7	Very low	32.5	Very low	210 Å²	210	138.4 Å²	138.4	79%	0.792	74%	0.736	S	S	*	*			cis	-144.9	177.6	29	-129.5	-174.4	165.2	140	-4.9	109.6
382	F	31.5	Very low	32.6	Very low	159 Å²	159	142.9 Å²	142.9	70%	0.697	75%	0.748	S	S	*	*			cis	-144.7	-79	-0.5	-156.3	-3.4	0	0	0	114.8
383	S	32.2	Very low	32.3	Very low	83 Å²	83	140.3 Å²	140.3	58%	0.58	75%	0.747	S	S	*	*			trans	-178.5	164	-150.5	51.4	0	0	0	0	113.6
384	R	30.4	Very low	32.3	Very low	241 Å²	241	140.9 Å²	140.9	91%	0.909	75%	0.754	S	S	*	*			cis	-166.2	163.6	-20	-106	-171.9	178.3	-166.3	-0.3	109.2
385	P	37.7	Very low	31.8	Very low	112 Å²	112	141.4 Å²	141.4	73%	0.727	76%	0.76	S	S	*	*			trans	-111.8	-179	-179.1	42.4	-34.7	0	0	0	114.6
386	I	32.7	Very low	31.5	Very low	158 Å²	158	135.6 Å²	135.6	81%	0.81	75%	0.753	S	S	*	*			trans	-177.6	122	145.8	-100.3	153.2	0	0	0	116.4
387	H	31.7	Very low	31.4	Very low	182 Å²	182	137.7 Å²	137.7	84%	0.843	76%	0.758	S	S	*	*			trans	42.3	168.1	134.8	-82.4	-82.8	0	0	0	126.4
388	P	38.2	Very low	31.2	Very low	121 Å²	121	138.3 Å²	138.3	79%	0.786	76%	0.756	S	S	*	*			trans	-133.4	-168.7	-147.2	48.5	-34.5	0	0	0	117.2
389	G	30	Very low	31.1	Very low	69 Å²	69	137.8 Å²	137.8	71%	0.711	75%	0.752	S	S	*	*			trans	-175.4	120.2	164.2	0	0	0	0	0	119.5
390	H	32.7	Very low	30.9	Very low	181 Å²	181	143.2 Å²	143.2	84%	0.838	76%	0.76	S	S	*	*			trans	43.3	105.4	141.7	-79.9	-93.1	0	0	0	125.8
391	S	29.2	Very low	30.5	Very low	92 Å²	92	143.3 Å²	143.3	64%	0.643	75%	0.754	S	S	*	*				78.2	143.3	113.7	74.2	0	0	0	0	125.6
392	H	30.8	Very low	30.3	Very low	170 Å²	170	138.8 Å²	138.8	79%	0.787	75%	0.746	S	S	*	*			trans	80.5	113	158.1	-73.2	-70.2	0	0	0	123
393	C	25	Very low	30	Very low	108 Å²	108	139.3 Å²	139.3	73%	0.73	75%	0.748	S	S	*	*			trans	41.6	123.2	136.3	-51.1	0	0	0	0	119.4
394	V	30.4	Very low	29.6	Very low	129 Å²	129	143.3 Å²	143.3	78%	0.782	76%	0.757	S	S	*	*				-169.5	140.7	71.8	153.2	0	0	0	0	111.9
395	S	29.5	Very low	29.4	Very low	100 Å²	100	139.1 Å²	139.1	70%	0.699	75%	0.753	S	S	*	*			trans	31.3	133.4	160.7	74.7	0	0	0	0	124.7
396	S	29.1	Very low	28.8	Very low	106 Å²	106	142.5 Å²	142.5	74%	0.741	76%	0.759	S	S	*	*			trans	92.1	101.5	138.1	-61.6	0	0	0	0	122.2
397	S	28.6	Very low	28.7	Very low	105 Å²	105	140.1 Å²	140.1	73%	0.734	76%	0.756	S	S	*	*			trans	55.9	116.5	137.8	64.2	0	0	0	0	121.4
398	Q	29.8	Very low	28.7	Very low	168 Å²	168	137.7 Å²	137.7	79%	0.785	76%	0.757	S	S	*	*				-172.3	155.4	87.1	-97	-164.3	15	0	0	114.9
399	L	27.7	Very low	28.1	Very low	137 Å²	137	139.6 Å²	139.6	72%	0.717	76%	0.76	S	S	*	*			trans	61.9	178.8	151.1	-78	168.8	0	0	0	120.9
400	K	27.2	Very low	28	Very low	172 Å²	172	147.5 Å²	147.5	75%	0.748	77%	0.768	S	S	*	*			trans	-132	151.7	-161	-75.4	174.5	177.3	164.8	0	110.6
401	R	25.8	Very low	27.7	Very low	207 Å²	207	143.1 Å²	143.1	78%	0.781	76%	0.757	S	S	*	*			trans	70.1	155.2	150.8	-78.6	-177.3	-164.7	167.4	-0.3	116
402	D	25.4	Very low	27.6	Very low	114 Å²	114	147.1 Å²	147.1	61%	0.61	77%	0.768	S	S	*	*			cis	-146.9	151.6	8.3	-112.1	-30.6	0	0	0	111.8
403	F	25.3	Very low	27.4	Very low	171 Å²	171	150 Å²	150	75%	0.75	77%	0.772	S	S	*	*			trans	60	149.5	151.9	-85	-100.4	0	0	0	123.8
404	H	24.8	Very low	27.7	Very low	166 Å²	166	151.6 Å²	151.6	77%	0.769	78%	0.778	S	S	*	*			trans	63.1	129	172.1	-62.4	-73.8	0	0	0	115.7
405	D	25.7	Very low	27.6	Very low	154 Å²	154	149.5 Å²	149.5	82%	0.824	78%	0.775	S	S	*	*				-147.4	-164.9	54.1	-127.4	-19.9	0	0	0	115.8
406	E	25.6	Very low	27.6	Very low	183 Å²	183	151.9 Å²	151.9	86%	0.855	77%	0.774	S	S	*	*			trans	-74.5	172.7	-169.1	-61.4	-152.8	134.1	0	0	117.5
407	S	30.5	Very low	27.7	Very low	107 Å²	107	151 Å²	151	75%	0.748	76%	0.761	S	S	*	*			trans	-72.1	163	168.6	-53.3	0	0	0	0	112
408	P	32.1	Very low	27.9	Very low	131 Å²	131	149.9 Å²	149.9	85%	0.851	75%	0.753	S	S	*	*				-145.9	159.4	99	37.2	-22.2	0	0	0	117
409	L	25.4	Very low	28.1	Very low	162 Å²	162	147.5 Å²	147.5	85%	0.848	75%	0.746	S	S	*	*			trans	-73.9	156.3	172.4	-60.6	139.7	0	0	0	112.7
410	R	28	Very low	28.4	Very low	235 Å²	235	145.9 Å²	145.9	89%	0.887	74%	0.738	S	S	*	*				160.7	132.9	119.9	-85.5	-165.3	162.4	147	-1.5	109.9
411	S	26.3	Very low	28.5	Very low	88 Å²	88	147.8 Å²	147.8	62%	0.615	74%	0.741	S	S	*	*			cis	90.7	115.6	34.5	85.9	0	0	0	0	115.8
412	M	27.1	Very low	28.7	Very low	177 Å²	177	143.2 Å²	143.2	87%	0.872	74%	0.74	S	S	*	*			trans	-133.8	127.1	140.2	-66.7	-160.5	-170.2	0	0	105.2
413	R	25.8	Very low	28.8	Very low	231 Å²	231	146.5 Å²	146.5	87%	0.872	75%	0.752	S	S	*	*				63.3	139.5	72.6	-67.4	-179.6	171.2	-166.4	-5.7	111.5
414	V	30.6	Very low	29	Very low	140 Å²	140	144.1 Å²	144.1	85%	0.848	76%	0.757	S	S	*	*			cis	-84.6	-166	11.4	-171.6	0	0	0	0	108
415	A	29.4	Very low	29	Very low	86 Å²	86	148 Å²	148	71%	0.711	76%	0.764	S	S	*	*			cis	-153.5	-152.7	17.6	0	0	0	0	0	114
416	H	29.9	Very low	29.2	Very low	150 Å²	150	146.7 Å²	146.7	69%	0.694	76%	0.764	S	S	*	*			trans	-135.2	164.5	-171.5	-77.9	-99.6	0	0	0	107.9
417	D	31	Very low	29.2	Very low	86 Å²	86	149.6 Å²	149.6	46%	0.46	77%	0.768	S	S	.	*			cis	-150.1	-161.3	-11.2	-113.1	-20.3	0	0	0	110.6	N370	N370-D417 WeakPolarHBondContact OD1-CB 3.29Å
418	S	32.5	Very low	29.5	Very low	82 Å²	82	149.5 Å²	149.5	57%	0.573	76%	0.764	S	S	*	*			trans	-151.5	151.8	-152.9	68.7	0	0	0	0	121.2	N370	N370-S418 PolarHBondContact OD1-N 2.74Å
419	D	34.6	Very low	29.2	Very low	118 Å²	118	155 Å²	155	63%	0.631	77%	0.768	S	S	*	*			trans	63.9	131.5	146.5	-165.2	51.3	0	0	0	118	R421	D419-R421 PolarHBondContact OD1-N 3.24Å
420	N	32.9	Very low	29.1	Very low	104 Å²	104	152.1 Å²	152.1	56%	0.556	76%	0.761	S	S	*	*				-158.4	123.8	90.3	-105.2	-101.2	0	0	0	116.3
421	R	30.1	Very low	29	Very low	211 Å²	211	147.5 Å²	147.5	80%	0.796	76%	0.759	S	S	*	*			trans	72.4	153.9	145.8	-69.2	171.9	-157.4	-170.4	7.4	118.9	D419	D419-R421 PolarHBondContact OD1-N 3.24Å
422	S	29.7	Very low	28.9	Very low	111 Å²	111	147.9 Å²	147.9	78%	0.776	76%	0.762	S	S	*	*			cis	-145.6	175	-0.1	50.8	0	0	0	0	112.5
423	H	27.8	Very low	28.9	Very low	183 Å²	183	144.2 Å²	144.2	85%	0.847	75%	0.753	S	S	*	*			trans	-94	150	-164	-40	-53.5	0	0	0	115.8
424	S	29.2	Very low	28.9	Very low	122 Å²	122	138.3 Å²	138.3	85%	0.853	75%	0.748	S	S	*	*				-170.7	115.4	112.9	37.9	0	0	0	0	114
425	R	25.2	Very low	28.6	Very low	246 Å²	246	138.4 Å²	138.4	93%	0.928	75%	0.749	S	S	*	*			trans	-100.7	153.6	155.9	-71.3	-178.9	173.4	-178.7	-1	108.1
426	P	29.1	Very low	28.5	Very low	128 Å²	128	140.3 Å²	140.3	83%	0.831	76%	0.757	S	S	*	*				-146.9	159.2	108.1	36.4	-21.2	0	0	0	116.1
427	R	25	Very low	28.4	Very low	244 Å²	244	138.3 Å²	138.3	92%	0.921	75%	0.746	S	S	*	*			trans	-134.7	166.7	161.8	-109.5	-162.9	-179.3	-153.7	4.8	108.5
428	P	37.2	Very low	28.1	Very low	104 Å²	104	141 Å²	141	68%	0.675	76%	0.76	S	S	*	*				-129.1	-173.8	-118.9	41.5	-27.1	0	0	0	116.6
429	R	25.5	Very low	27.6	Very low	246 Å²	246	142.4 Å²	142.4	93%	0.928	78%	0.776	S	S	*	*			trans	82.7	151.1	177.7	-49.8	176.8	172.3	-179.5	-2.9	112.9
430	S	24.3	Very low	27.1	Very low	102 Å²	102	139.1 Å²	139.1	71%	0.713	77%	0.77	S	S	*	*			cis	-158.4	157.8	10.9	59.1	0	0	0	0	112.8
431	V	25.7	Very low	26.7	Very low	138 Å²	138	137.4 Å²	137.4	84%	0.836	76%	0.76	S	S	*	*			trans	45	145.9	159.2	-108.9	0	0	0	0	119.7
432	S	25	Very low	26.3	Very low	97 Å²	97	137.9 Å²	137.9	68%	0.678	76%	0.762	S	S	*	*			cis	-167.7	155.2	25.9	52.4	0	0	0	0	115.2
433	S	26.9	Very low	26.1	Very low	99 Å²	99	137.4 Å²	137.4	69%	0.692	75%	0.751	S	S	*	*			trans	57.4	109.2	141.9	66.7	0	0	0	0	123.5
434	S	25.2	Very low	25.9	Very low	108 Å²	108	133.5 Å²	133.5	76%	0.755	75%	0.745	S	S	*	*				99.5	138	117.3	-63.3	0	0	0	0	123.7
435	T	24.2	Very low	25.8	Very low	142 Å²	142	135 Å²	135	87%	0.871	74%	0.741	S	S	*	*			trans	67.3	105.6	156.3	48.1	0	0	0	0	121.1
436	S	27.8	Very low	25.8	Very low	125 Å²	125	129.8 Å²	129.8	87%	0.874	73%	0.731	S	S	*	*				-133.6	162.1	126.4	66.6	0	0	0	0	109.1
437	K	27.8	Very low	25.7	Very low	108 Å²	108	128.2 Å²	128.2	47%	0.47	72%	0.723	S	S	.	*			trans	-128.2	144.6	-175.2	-122	-164	-175.7	93.4	0	110.6	V636 L637	K437-V636 PolarHBondContact NZ-O 2.87Å; K437-L637 WeakPolarHBondContact CE-O 3.2Å; K437-L637 PolarHBondContact NZ-O 3.2Å
438	L	23.8	Very low	25.9	Very low	144 Å²	144	120.7 Å²	120.7	75%	0.754	71%	0.713	S	S	*	*			trans	21.8	116.6	147.7	-60.8	170.7	0	0	0	118.5
439	A	23.3	Very low	25.4	Very low	110 Å²	110	122 Å²	122	91%	0.909	72%	0.72	S	S	*	*				179.4	160.4	108.8	0	0	0	0	0	110.7
440	G	23.1	Very low	25.5	Very low	49 Å²	49	114.6 Å²	114.6	51%	0.505	71%	0.711	S	S	.	*			trans	154.9	27.8	171.6	0	0	0	0	0	115.1	L1137	G440-L1137 VanDerWaalsContact O-CD1 3.31Å; G440-L1137 WeakPolarHBondContact O-CD1 2.93Å
441	I	24.3	Very low	25.7	Very low	68 Å²	68	117.9 Å²	117.9	35%	0.349	72%	0.718	S	S	.	*			trans	-146.2	105.6	-163.5	-50.7	174.2	0	0	0	113.5	L1137 Y1138	I441-L1137 HydrophobicContact CG2-CG 4.12Å; I441-Y1138 HydrophobicContact CB-CD1 4.3Å; I441-Y1138 HydrophobicContact CB-CD2 4.43Å; I441-Y1138 HydrophobicContact CB-CG 4.21Å; I441-Y1138 HydrophobicContact CD1-CD2 3.27Å; I441-Y1138 HydrophobicContact CD1-CE2 3.64Å; I441-Y1138 HydrophobicContact CD1-CG 3.81Å; I441-Y1138 HydrophobicContact CG1-CD2 4.34Å; I441-Y1138 HydrophobicContact CG1-CG 4.47Å; I441-Y1138 VanDerWaalsContact CG2-CB 3.48Å; I441-Y1138 HydrophobicContact CG2-CD1 3.25Å; I441-Y1138 HydrophobicContact CG2-CD2 3.93Å; I441-Y1138 HydrophobicContact CG2-CE1 3.87Å; I441-Y1138 HydrophobicContact CG2-CE2 4.45Å; I441-Y1138 HydrophobicContact CG2-CG 3.25Å
442	W	23.1	Very low	25.9	Very low	221 Å²	221	114.3 Å²	114.3	84%	0.837	71%	0.709	S	S	*	*			trans	-170.4	149.1	158.9	-117.1	61.2	0	0	0	104.4
443	N	24.8	Very low	26.2	Very low	101 Å²	101	116.5 Å²	116.5	54%	0.54	71%	0.714	S	S	.	*			cis	-168.7	146.1	-16.9	-155.3	-8.1	0	0	0	107.2
444	S	23.3	Very low	26.3	Very low	102 Å²	102	118 Å²	118	71%	0.713	71%	0.714	S	S	*	*			trans	-175.9	125.6	162.2	-90.3	0	0	0	0	114.2
445	I	28	Very low	26.6	Very low	152 Å²	152	120 Å²	120	78%	0.779	71%	0.714	S	S	*	*				-152.5	127.8	107.9	-96	160	0	0	0	108.2
446	L	24.7	Very low	26.7	Very low	138 Å²	138	119.3 Å²	119.3	72%	0.723	71%	0.71	S	S	*	*			trans	-157.3	99	141.7	-119.5	177.4	0	0	0	106.4
447	S	26.8	Very low	26.7	Very low	94 Å²	94	119.9 Å²	119.9	66%	0.657	71%	0.708	S	S	*	*			trans	-89.4	178.3	-168.9	-55	0	0	0	0	113
448	A	29.4	Very low	26.6	Very low	86 Å²	86	122.3 Å²	122.3	71%	0.711	72%	0.719	S	S	*	*			trans	75.5	150.9	170.9	0	0	0	0	0	117.6
449	T	26.4	Very low	26.9	Very low	133 Å²	133	120.4 Å²	120.4	82%	0.816	72%	0.715	S	S	*	*				-176.6	118.7	-58.4	25.4	0	0	0	0	109
450	A	28.4	Very low	27.1	Very low	90 Å²	90	122.9 Å²	122.9	74%	0.744	71%	0.707	S	S	*	*			trans	-174	119	156.2	0	0	0	0	0	106
451	I	28.3	Very low	27.3	Very low	170 Å²	170	127.3 Å²	127.3	87%	0.872	71%	0.714	S	S	*	*				86.3	126.9	54.8	-66.9	165.5	0	0	0	111.7
452	G	29.2	Very low	27.6	Very low	63 Å²	63	128.2 Å²	128.2	65%	0.649	73%	0.725	S	S	*	*			trans	91.4	128.4	173.7	0	0	0	0	0	114.9
453	N	31.1	Very low	27.7	Very low	143 Å²	143	122.4 Å²	122.4	77%	0.765	72%	0.718	S	S	*	*			cis	177.7	148.8	-35.8	-106.5	12.3	0	0	0	105.5
454	N	30.2	Very low	27.8	Very low	132 Å²	132	124 Å²	124	71%	0.706	73%	0.731	S	S	*	*			trans	78.5	130.9	150.7	-63.8	0.3	0	0	0	122.4
455	I	30.3	Very low	27.8	Very low	148 Å²	148	123.6 Å²	123.6	76%	0.759	73%	0.728	S	S	*	*			trans	70.9	97.2	150.8	-61	160.3	0	0	0	115.1
456	V	26.1	Very low	27.8	Very low	129 Å²	129	122.6 Å²	122.6	78%	0.782	73%	0.73	S	S	*	*				67.6	118.4	74.9	178.1	0	0	0	0	110
457	V	28.5	Very low	27.8	Very low	137 Å²	137	121.9 Å²	121.9	83%	0.83	73%	0.731	S	S	*	*				-134.8	164.5	54.5	177.8	0	0	0	0	114.9
458	K	25.6	Very low	28	Very low	159 Å²	159	122.4 Å²	122.4	69%	0.691	73%	0.733	S	S	*	*			trans	-42.1	171.3	173.9	-84.1	174.8	-179.7	172.5	0	119.4	E1121	K458-E1121 IonicContact NZ-OE1 2.59Å; K458-E1121 PolarHBondContact NZ-OE1 3.46Å
459	P	29.4	Very low	28	Very low	103 Å²	103	123.9 Å²	123.9	67%	0.669	73%	0.733	S	S	*	*			trans	-123.5	-173.4	-137.7	46.1	-37.4	0	0	0	115.9
460	H	28.9	Very low	28.2	Very low	163 Å²	163	123.7 Å²	123.7	76%	0.755	73%	0.731	S	S	*	*				-169.5	130.6	125.8	-105.7	-68.2	0	0	0	114.4
461	H	25.9	Very low	28.3	Very low	141 Å²	141	125.8 Å²	125.8	65%	0.653	74%	0.735	S	S	*	*			trans	-129	123.1	165.3	-84.6	-132.8	0	0	0	110.6	K33	K33-H461 HydrophobicContact CD-CB 3.96Å; K33-H461 WeakPolarHBondContact CD-ND1 2.98Å; K33-H461 WeakPolarHBondContact CE-CE1 3.48Å; K33-H461 WeakPolarHBondContact CE-ND1 3.37Å; K33-H461 WeakPolarHBondContact CE-NE2 3.41Å; K33-H461 HydrophobicContact CG-CB 4.11Å; K33-H461 VanDerWaalsContact CG-ND1 3.33Å; K33-H461 WeakPolarHBondContact CG-ND1 3.03Å; K33-H461 PolarHBondContact NZ-CD2 2.85Å; K33-H461 PolarHBondContact NZ-NE2 3.06Å
462	P	31.5	Very low	28.4	Very low	87 Å²	87	126 Å²	126	57%	0.565	73%	0.729	S	S	*	*			trans	-100.6	-175.2	178.3	39.4	-31.1	0	0	0	112.4	K33	K33-P462 VanDerWaalsContact CD-CD 3.49Å
463	S	24.5	Very low	28.3	Very low	99 Å²	99	130.3 Å²	130.3	69%	0.692	73%	0.733	S	S	*	*			trans	-141.2	148.5	-172.2	54.1	0	0	0	0	113.1
464	T	27	Very low	28.1	Very low	134 Å²	134	129.4 Å²	129.4	82%	0.822	73%	0.732	S	S	*	*			trans	61.2	149.7	157.4	50.2	0	0	0	0	118.4
465	S	25	Very low	27.9	Very low	94 Å²	94	132.8 Å²	132.8	66%	0.657	74%	0.74	S	S	*	*			cis	-169.8	157.3	-13.8	45.4	0	0	0	0	110
466	T	26.1	Very low	27.6	Very low	131 Å²	131	128.7 Å²	128.7	80%	0.804	74%	0.735	S	S	*	*			trans	64.3	173.9	176.7	17.6	0	0	0	0	114.7
467	T	26.5	Very low	27.9	Very low	124 Å²	124	131.3 Å²	131.3	76%	0.761	74%	0.739	S	S	*	*			cis	-146.9	166.2	10.2	-6.9	0	0	0	0	109.5
468	P	29.6	Very low	28	Very low	105 Å²	105	135.6 Å²	135.6	68%	0.682	74%	0.74	S	S	*	*			trans	-86.7	156.7	-173.4	36	-35.1	0	0	0	115.1
469	T	30.4	Very low	28	Very low	116 Å²	116	134.9 Å²	134.9	71%	0.712	74%	0.744	S	S	*	*			trans	43.8	103.4	155	50.9	0	0	0	0	118.5
470	T	31	Very low	28	Very low	129 Å²	129	136.5 Å²	136.5	79%	0.791	75%	0.745	S	S	*	*				57	127.4	84.5	64.9	0	0	0	0	113.7
471	V	28.7	Very low	28	Very low	135 Å²	135	134.5 Å²	134.5	82%	0.818	74%	0.739	S	S	*	*			cis	-163.4	169.1	9.3	78.3	0	0	0	0	107.5
472	K	30.8	Very low	28.1	Very low	173 Å²	173	136.2 Å²	136.2	75%	0.752	74%	0.74	S	S	*	*			cis	-141.2	-76.1	12	-170	-175.8	-175.5	-172.3	0	113.8
473	Q	26.8	Very low	28	Very low	154 Å²	154	139 Å²	139	72%	0.72	75%	0.75	S	S	*	*			trans	-157.2	162.7	-161.1	-80.4	166	-25.9	0	0	107.8
474	V	27.4	Very low	28.1	Very low	124 Å²	124	139.5 Å²	139.5	75%	0.752	75%	0.749	S	S	*	*			cis	-141.6	151.2	36.8	171.2	0	0	0	0	112.3
475	K	25.4	Very low	28.3	Very low	203 Å²	203	139.7 Å²	139.7	88%	0.883	74%	0.735	S	S	*	*			trans	6	137.7	164.2	-58.1	170.6	179.8	178.5	0	119.9
476	G	24.7	Very low	28.5	Very low	63 Å²	63	143.5 Å²	143.5	65%	0.649	74%	0.735	S	S	*	*			trans	136.9	43.9	134.4	0	0	0	0	0	121.2
477	H	33	Very low	28.7	Very low	184 Å²	184	140 Å²	140	85%	0.852	72%	0.724	S	S	*	*			trans	-129.8	124.9	164.7	-75.7	78.6	0	0	0	109.4
478	R	30.8	Very low	28.8	Very low	227 Å²	227	142.6 Å²	142.6	86%	0.857	73%	0.728	S	S	*	*				65.7	85.9	61.5	-76.4	-170.9	170.4	164.4	-1.8	114
479	N	25	Very low	28.7	Very low	144 Å²	144	142.9 Å²	142.9	77%	0.77	73%	0.728	S	S	*	*				36.9	145.8	108.2	-99.6	0.4	0	0	0	120.7
480	I	28.5	Very low	28.4	Very low	137 Å²	137	145.7 Å²	145.7	70%	0.703	73%	0.733	S	S	*	*			trans	89.2	129.5	139.4	-75.3	167.7	0	0	0	119.2
481	L	29.7	Very low	28.2	Very low	120 Å²	120	144.7 Å²	144.7	63%	0.628	73%	0.727	S	S	*	*			trans	69.6	121.8	171.3	-62.1	164.7	0	0	0	116.6
482	R	27.1	Very low	28	Very low	178 Å²	178	143.7 Å²	143.7	67%	0.672	72%	0.721	S	S	*	*				63.6	124.5	61.4	-65.3	-169.3	-164.9	126.5	1.9	113.9
483	N	30.2	Very low	27.7	Very low	144 Å²	144	142.8 Å²	142.8	77%	0.77	72%	0.724	S	S	*	*				-166.6	-178.7	90.2	-111	-45.6	0	0	0	115.2
484	T	27.1	Very low	27.7	Very low	110 Å²	110	142.4 Å²	142.4	68%	0.675	73%	0.732	S	S	*	*			trans	-116.3	178.7	-166.4	50.4	0	0	0	0	113.3
485	R	30.2	Very low	27.6	Very low	138 Å²	138	145.9 Å²	145.9	52%	0.521	74%	0.737	S	S	.	*			trans	80.3	145.3	177.7	-49.4	-178.2	-162.6	-164.5	7.7	113.9	N1107	R485-N1107 PolarHBondContact NH1-OD1 2.98Å; R485-N1107 PolarHBondContact NH2-OD1 3.22Å
486	R	30.3	Very low	27.6	Very low	175 Å²	175	141.2 Å²	141.2	66%	0.66	73%	0.73	S	S	*	*			cis	-154.9	162	-11.2	-109.7	171.2	179.5	-163.8	-2.7	104.5
487	G	28.9	Very low	27.7	Very low	56 Å²	56	149.4 Å²	149.4	58%	0.577	74%	0.741	S	S	*	*			cis	137.4	130.5	16.6	0	0	0	0	0	107.8
488	E	29.3	Very low	27.5	Very low	180 Å²	180	144.8 Å²	144.8	84%	0.841	73%	0.729	S	S	*	*			trans	44.6	107.4	171.7	-73.1	106.1	-113.7	0	0	119.9
489	T	26.7	Very low	27.4	Very low	111 Å²	111	142.2 Å²	142.2	68%	0.681	72%	0.72	S	S	*	*				70.2	110.4	76.9	61.6	0	0	0	0	118
490	Q	25.7	Very low	27.6	Very low	174 Å²	174	140.8 Å²	140.8	81%	0.813	71%	0.707	S	S	*	*			trans	63.1	153.4	131.9	-57.8	-175.4	14.8	0	0	119.4
491	T	25.2	Very low	27.5	Very low	109 Å²	109	136.7 Å²	136.7	67%	0.669	69%	0.688	S	S	*	*			cis	-145.8	159.3	15.7	-1.2	0	0	0	0	113.1
492	T	25.3	Very low	27.3	Very low	114 Å²	114	137.2 Å²	137.2	70%	0.699	69%	0.685	S	S	*	*			trans	55.5	132.8	148.2	53.3	0	0	0	0	124.8
493	L	23.8	Very low	27.4	Very low	154 Å²	154	133.4 Å²	133.4	81%	0.806	68%	0.675	S	S	*	*			trans	58.5	111.8	135	-64	167.5	0	0	0	120.6
494	T	28.4	Very low	27.4	Very low	145 Å²	145	131.6 Å²	131.6	89%	0.89	67%	0.674	S	S	*	*				-168.9	164	94.1	22.6	0	0	0	0	112.2
495	K	23.9	Very low	27.4	Very low	198 Å²	198	135 Å²	135	86%	0.861	68%	0.679	S	S	*	*			trans	-92.4	144.8	173.5	-56.2	165.9	-176.8	168.4	0	109.4
496	S	25.4	Very low	27.4	Very low	104 Å²	104	133.7 Å²	133.7	73%	0.727	69%	0.691	S	S	*	*				166.2	159.9	117	-79.3	0	0	0	0	115.2
497	R	26.4	Very low	27.2	Very low	236 Å²	236	132.5 Å²	132.5	89%	0.891	70%	0.698	S	S	*	*			trans	7.2	132.3	142.9	-55.6	166.2	175	174.4	-4.8	115.4
498	S	30.2	Very low	27.1	Very low	87 Å²	87	134 Å²	134	61%	0.608	70%	0.696	S	S	*	*			cis	-164.9	166.6	43.5	-129	0	0	0	0	109.6
499	R	28	Very low	26.9	Very low	172 Å²	172	128.4 Å²	128.4	65%	0.649	67%	0.672	S	S	*	*			cis	70.6	136.5	30.9	-81.5	-170.1	178.4	-177.1	0	114.5	P1091	R499-P1091 CarbonylContact C-O 3.11Å
500	K	28.2	Very low	27	Very low	114 Å²	114	128.4 Å²	128.4	50%	0.496	67%	0.672	S	S	.	*			cis	-126.8	-94.8	1.3	-139.8	169.3	71.6	-166.5	0	115	E1090 P1091	K500-E1090 CarbonylContact C-O 3.01Å; K500-E1090 WeakPolarHBondContact CA-OE1 3.35Å; K500-E1090 WeakPolarHBondContact CB-OE1 3.33Å; K500-E1090 PolarHBondContact N-OE1 2.97Å; K500-P1091 CarbonylContact C-O 2.95Å; K500-P1091 PolarHBondContact N-O 3.22Å; K500-P1091 CarbonylContact O-C 3.57Å; K500-P1091 VanDerWaalsContact O-C 3.23Å
501	T	26.4	Very low	27.2	Very low	51 Å²	51	126.9 Å²	126.9	31%	0.313	67%	0.669	S	S	.	*			trans	-155.6	136.6	-145.2	41.4	0	0	0	0	120.1	K1089 E1090	T501-K1089 WeakPolarHBondContact O-CB 3.2Å; T501-E1090 CarbonylContact C-O 3.53Å; T501-E1090 WeakPolarHBondContact CA-O 3.18Å; T501-E1090 VanDerWaalsContact N-C 3.32Å; T501-E1090 VanDerWaalsContact N-CD 3.31Å; T501-E1090 PolarHBondContact N-O 2.86Å; T501-E1090 PolarHBondContact N-OE2 2.73Å; T501-E1090 PolarHBondContact O-N 3.3Å; T501-E1090 PolarHBondContact OG1-OE2 3.03Å
502	K	27.2	Very low	27.2	Very low	131 Å²	131	130.9 Å²	130.9	57%	0.57	68%	0.677	S	S	*	*				131	164.5	108.9	-98.4	163	178.6	-173.9	0	122.3	K1089 E1090	K502-K1089 HydrophobicContact CB-CB 4.44Å; K502-K1089 HydrophobicContact CB-CG 4.14Å; K502-K1089 WeakPolarHBondContact O-CB 3.32Å; K502-K1089 WeakPolarHBondContact O-CD 3.43Å; K502-K1089 WeakPolarHBondContact O-CG 3.16Å; K502-E1090 PolarHBondContact N-O 3.41Å; K502-E1090 VanDerWaalsContact N-O 3.1Å
503	H	27.9	Very low	27.3	Very low	99 Å²	99	133.9 Å²	133.9	46%	0.458	69%	0.685	S	S	.	*			trans	32.2	141.7	147.4	-56.3	-30.2	0	0	0	123.6	K1089	H503-K1089 VanDerWaalsContact O-CD 3.23Å; H503-K1089 WeakPolarHBondContact O-CD 3.42Å; H503-K1089 WeakPolarHBondContact O-CE 3.33Å; H503-K1089 PolarHBondContact O-NZ 3.4Å
504	S	29.8	Very low	27.3	Very low	106 Å²	106	135.4 Å²	135.4	74%	0.741	69%	0.685	S	S	*	*			cis	-137.8	157.9	34.5	34	0	0	0	0	112.9
505	K	27.5	Very low	27.3	Very low	180 Å²	180	136 Å²	136	78%	0.783	68%	0.681	S	S	*	*			cis	87.8	94.1	21.9	-83.8	-155.5	164.7	-160.7	0	118.4
506	S	29.7	Very low	27.1	Very low	112 Å²	112	131.7 Å²	131.7	78%	0.783	68%	0.676	S	S	*	*			trans	-147.7	144.4	141.3	45	0	0	0	0	106.3
507	N	26.6	Very low	27.6	Very low	150 Å²	150	133 Å²	133	80%	0.802	68%	0.683	S	S	*	*			cis	71.3	126.9	49.9	-78.9	23.1	0	0	0	111.9
508	T	27.3	Very low	27.6	Very low	88 Å²	88	125.7 Å²	125.7	54%	0.54	68%	0.68	S	S	.	*			cis	-152.4	-165.3	8.3	37.3	0	0	0	0	113.1	S610	T508-S610 WeakPolarHBondContact CB-OG 3.31Å; T508-S610 VanDerWaalsContact CG2-OG 3.23Å; T508-S610 WeakPolarHBondContact CG2-OG 3.15Å
509	D	26.1	Very low	27.4	Very low	62 Å²	62	126.9 Å²	126.9	33%	0.332	69%	0.688	S	S	.	*			trans	99.2	154.8	164.4	-53.6	16	0	0	0	118.5	S608 Q609 S610	D509-S608 VanDerWaalsContact OD2-CA 3.27Å; D509-S608 WeakPolarHBondContact OD2-CA 3.35Å; D509-Q609 VanDerWaalsContact CA-O 3.24Å; D509-Q609 WeakPolarHBondContact CA-O 3.22Å; D509-Q609 WeakPolarHBondContact CB-O 3.45Å; D509-Q609 VanDerWaalsContact CG-C 3.48Å; D509-Q609 PolarHBondContact OD1-N 3.01Å; D509-Q609 PolarHBondContact OD2-N 3.16Å; D509-S610 PolarHBondContact N-OG 3.1Å; D509-S610 PolarHBondContact OD1-N 3.24Å
510	V	27.7	Very low	27.3	Very low	111 Å²	111	127.8 Å²	127.8	67%	0.673	70%	0.698	S	S	*	*			cis	-152.1	152.6	1.1	-127.5	0	0	0	0	116.3	Q609	V510-Q609 WeakPolarHBondContact CA-O 3.49Å
511	N	29.8	Very low	27.2	Very low	141 Å²	141	129.3 Å²	129.3	75%	0.754	71%	0.71	S	S	*	*			trans	59.5	163.1	147.8	-117.5	-28.2	0	0	0	126.8
512	K	25.5	Very low	27.4	Very low	194 Å²	194	132.6 Å²	132.6	84%	0.843	73%	0.726	S	S	*	*			trans	-133.3	150.5	-166.4	-59.6	172.9	-179.7	170.3	0	116.8
513	M	26.3	Very low	27.4	Very low	177 Å²	177	135 Å²	135	87%	0.872	73%	0.731	S	S	*	*			trans	177.1	134.4	132.5	-96.1	-174.2	-167.5	0	0	110.3
514	K	24.3	Very low	27.4	Very low	185 Å²	185	136.2 Å²	136.2	80%	0.804	75%	0.748	S	S	*	*				57	125.2	87.3	-84.9	-171.1	176.3	-170.9	0	112.9
515	I	28.2	Very low	27.4	Very low	157 Å²	157	137.8 Å²	137.8	81%	0.805	74%	0.744	S	S	*	*			cis	-152.9	171.9	32.9	-95	139.3	0	0	0	112.3
516	S	21.4	Very low	27.2	Very low	108 Å²	108	133.6 Å²	133.6	76%	0.755	74%	0.737	S	S	*	*			trans	-116.6	-170.5	176.5	-49.6	0	0	0	0	110.8
517	P	34.6	Very low	27.1	Very low	133 Å²	133	137.2 Å²	137.2	86%	0.864	74%	0.741	S	S	*	*			cis	-132	-164	-2.6	43.2	-24.3	0	0	0	113.6
518	G	26.1	Very low	27.1	Very low	81 Å²	81	137.6 Å²	137.6	84%	0.835	74%	0.738	S	S	*	*			trans	161.2	96.2	167.1	0	0	0	0	0	117.7
519	S	26.7	Very low	27.1	Very low	112 Å²	112	141.4 Å²	141.4	78%	0.783	75%	0.754	S	S	*	*			trans	-84.6	161.8	167.8	50.6	0	0	0	0	111.6
520	F	25.5	Very low	27.1	Very low	192 Å²	192	148.5 Å²	148.5	84%	0.842	78%	0.776	S	S	*	*			cis	-163.6	-162.5	3.8	-138.3	-123.3	0	0	0	110.2
521	L	27.6	Very low	27	Very low	145 Å²	145	151.2 Å²	151.2	76%	0.759	79%	0.786	S	S	*	*			trans	86.7	133.5	171.1	-53.2	171.9	0	0	0	115.9
522	N	29.7	Very low	26.8	Very low	121 Å²	121	149.7 Å²	149.7	65%	0.647	79%	0.793	S	S	*	*			cis	-150.4	139.3	-5.8	-137	-8.6	0	0	0	114.9
523	R	26.7	Very low	26.8	Very low	181 Å²	181	143.3 Å²	143.3	68%	0.683	78%	0.783	S	S	*	*			trans	25.5	132.7	155.9	-69.2	172.9	-168.6	-141.7	5.3	122.8	H525	R523-H525 PolarHBondContact NH1-NE2 3.1Å
524	P	27.7	Very low	26.8	Very low	125 Å²	125	140.6 Å²	140.6	81%	0.812	77%	0.771	S	S	*	*				-89.3	152.1	129.2	35.7	-30.8	0	0	0	112.5
525	H	29.6	Very low	27	Very low	139 Å²	139	138.3 Å²	138.3	64%	0.644	77%	0.767	S	S	*	*			trans	-118.2	131.9	156.9	-87.8	-85.7	0	0	0	106	R523	R523-H525 PolarHBondContact NH1-NE2 3.1Å
526	S	24.2	Very low	26.9	Very low	91 Å²	91	138.8 Å²	138.8	64%	0.636	77%	0.771	S	S	*	*			cis	86.7	99.5	40.6	86.3	0	0	0	0	114.3
527	E	27.1	Very low	27.2	Very low	188 Å²	188	141 Å²	141	88%	0.879	77%	0.773	S	S	*	*			trans	-133.6	131.2	132.9	-83.4	-146.6	130	0	0	108.4
528	E	26.5	Very low	27	Very low	158 Å²	158	141.5 Å²	141.5	74%	0.738	76%	0.763	S	S	*	*			trans	-137.2	85.4	-177.6	-175.4	-174.7	-132.5	0	0	108.7	R530	E528-R530 PolarHBondContact O-N 3.27Å; E528-R530 VanDerWaalsContact O-N 3.08Å
529	L	28.7	Very low	27	Very low	168 Å²	168	144 Å²	144	88%	0.88	76%	0.758	S	S	*	*			trans	-75.5	100.3	174.2	-86.2	170.9	0	0	0	110.5	L531	L529-L531 PolarHBondContact O-N 2.99Å
530	R	25	Very low	27.2	Very low	211 Å²	211	143.9 Å²	143.9	80%	0.796	76%	0.757	S	S	*	*			trans	-64.7	121.7	177.6	-65.3	174.1	173.2	-179.5	-4.2	111.4	E528	E528-R530 PolarHBondContact O-N 3.27Å; E528-R530 VanDerWaalsContact O-N 3.08Å
531	L	25.4	Very low	27.3	Very low	168 Å²	168	142 Å²	142	88%	0.88	76%	0.755	S	S	*	*			trans	-140.8	57.4	157.6	-110.3	168.4	0	0	0	109.8	L529	L529-L531 PolarHBondContact O-N 2.99Å
532	A	26.8	Very low	27.3	Very low	109 Å²	109	141.4 Å²	141.4	90%	0.901	76%	0.758	S	S	*	*			trans	-121.3	66.9	177.6	0	0	0	0	0	110
533	G	24.8	Very low	27.2	Very low	60 Å²	60	142.4 Å²	142.4	62%	0.619	76%	0.762	S	S	*	*			trans	-140.6	160.6	170.8	0	0	0	0	0	108.9
534	L	25.5	Very low	27.1	Very low	120 Å²	120	139.5 Å²	139.5	63%	0.628	77%	0.768	S	S	*	*	S	Bend	trans	71.3	49.4	-178.3	-45.7	-177	0	0	0	116.5	T1780	L534-T1780 HydrophobicContact CD1-CG2 4.26Å; L534-T1780 VanDerWaalsContact CD1-OG1 3.24Å; L534-T1780 WeakPolarHBondContact CD1-OG1 3.41Å; L534-T1780 HydrophobicContact CD2-CG2 3.65Å; L534-T1780 WeakPolarHBondContact CD2-OG1 3.23Å; L534-T1780 HydrophobicContact CG-CG2 4.46Å
535	L	28.3	Very low	26.9	Very low	137 Å²	137	139.1 Å²	139.1	72%	0.717	77%	0.768	S	S	*	*			trans	-165.3	54.5	145.2	-108.9	175.3	0	0	0	112.6
536	N	26.2	Very low	27	Very low	167 Å²	167	138.1 Å²	138.1	89%	0.893	77%	0.774	S	S	*	*			trans	-128.1	88.3	177	-101.5	-8	0	0	0	111.3
537	I	28.9	Very low	27.2	Very low	155 Å²	155	139 Å²	139	80%	0.795	78%	0.78	S	S	*	*			trans	-140.7	100.7	155.1	-56.5	-178.5	0	0	0	107.5
538	H	29.1	Very low	27.3	Very low	143 Å²	143	137.6 Å²	137.6	66%	0.662	77%	0.773	S	S	*	*			trans	-98.8	115.8	163.2	-123.1	-73.2	0	0	0	106.9
539	D	26.4	Very low	27.3	Very low	135 Å²	135	137 Å²	137	72%	0.722	77%	0.77	S	S	*	*			trans	-158.6	122.5	159.1	-120.4	-29.3	0	0	0	110
540	S	31.3	Very low	27.2	Very low	108 Å²	108	135.4 Å²	135.4	76%	0.755	76%	0.763	S	S	*	*			trans	-170.5	72.4	-179.4	-76.4	0	0	0	0	109.5	V542	S540-V542 PolarHBondContact O-N 3.42Å
541	N	28.2	Very low	27.2	Very low	152 Å²	152	131.5 Å²	131.5	81%	0.813	76%	0.756	S	S	*	*			trans	-65.8	121.9	172.2	-82.7	-29.6	0	0	0	110.4
542	V	27.6	Very low	27.2	Very low	134 Å²	134	127.6 Å²	127.6	81%	0.812	74%	0.739	S	S	*	*			trans	-126.9	97.1	168.5	178.1	0	0	0	0	107.1	S540	S540-V542 PolarHBondContact O-N 3.42Å
543	I	27.7	Very low	27.3	Very low	142 Å²	142	130.2 Å²	130.2	73%	0.728	73%	0.733	S	S	*	*			trans	-135.9	116.6	169.9	-59.4	-178.8	0	0	0	107.8
544	C	24.7	Very low	27.3	Very low	120 Å²	120	132.6 Å²	132.6	81%	0.811	74%	0.735	S	S	*	*			trans	-94.8	137.7	148.8	-71.6	0	0	0	0	107.5
545	S	22.9	Very low	27.4	Very low	116 Å²	116	133.1 Å²	133.1	81%	0.811	74%	0.743	S	S	*	*			trans	33.8	119.3	154.4	-46.1	0	0	0	0	120
546	P	32	Very low	27.3	Very low	119 Å²	119	130.1 Å²	130.1	77%	0.773	73%	0.734	S	S	*	*			trans	-117.5	118.9	138.6	33.6	-24.1	0	0	0	110.8
547	S	28.7	Very low	27.3	Very low	109 Å²	109	129.6 Å²	129.6	76%	0.762	73%	0.731	S	S	*	*			trans	-73.9	123.1	165.3	51.4	0	0	0	0	110.1
548	Q	28.7	Very low	27.2	Very low	158 Å²	158	127.9 Å²	127.9	74%	0.738	72%	0.722	S	S	*	*			trans	28.7	110.6	142.9	-65	-175.9	-91.6	0	0	117.7
549	Q	25.5	Very low	27.2	Very low	145 Å²	145	129 Å²	129	68%	0.678	73%	0.734	S	S	*	*				80.8	117.1	90.3	-76.3	172.3	-49.1	0	0	113
550	D	27.2	Very low	27.3	Very low	135 Å²	135	125.9 Å²	125.9	72%	0.722	73%	0.733	S	S	*	*				-167.9	142.8	107.3	-93.4	-6.8	0	0	0	109.4
551	I	25	Very low	27.3	Very low	129 Å²	129	127.6 Å²	127.6	66%	0.662	73%	0.732	S	S	*	*				68.3	129.2	58.6	-71.1	178.3	0	0	0	110.4
552	T	25.6	Very low	27.3	Very low	86 Å²	86	130.2 Å²	130.2	53%	0.528	73%	0.732	S	S	.	*			cis	-130.6	-156.6	-8.9	3	0	0	0	0	109	V554	T552-V554 HydrophobicContact CG2-CG2 3.79Å
553	H	29.2	Very low	27.3	Very low	164 Å²	164	133.5 Å²	133.5	76%	0.759	73%	0.73	S	S	*	*			cis	-142.8	151.5	14.5	-62	-97.8	0	0	0	107.9
554	V	24.1	Very low	27.4	Very low	111 Å²	111	135.3 Å²	135.3	67%	0.673	74%	0.735	S	S	*	*			cis	74.7	116.8	38.7	-178.4	0	0	0	0	113.4	T552	T552-V554 HydrophobicContact CG2-CG2 3.79Å
555	T	27.3	Very low	27.6	Very low	130 Å²	130	133.8 Å²	133.8	80%	0.798	74%	0.739	S	S	*	*			trans	160.3	148.4	143.3	32.9	0	0	0	0	109.3
556	S	26.5	Very low	27.7	Very low	74 Å²	74	133.9 Å²	133.9	52%	0.517	74%	0.74	S	S	.	*			cis	-174.4	151.6	-24.5	50	0	0	0	0	110.3	I558	S556-I558 WeakPolarHBondContact OG-CD1 3.41Å
557	N	27.4	Very low	27.7	Very low	157 Å²	157	133.3 Å²	133.3	84%	0.84	74%	0.737	S	S	*	*			trans	-149.8	117.3	138.6	-89.6	-25.4	0	0	0	104.7
558	I	26.8	Very low	27.7	Very low	118 Å²	118	134.9 Å²	134.9	61%	0.605	74%	0.741	S	S	*	*			cis	68.7	97.5	42.1	-50.6	172.1	0	0	0	112.1	S556	S556-I558 WeakPolarHBondContact OG-CD1 3.41Å
559	N	29.3	Very low	27.6	Very low	168 Å²	168	131.1 Å²	131.1	90%	0.898	74%	0.737	S	S	*	*				-154.8	131.5	111.8	-96.2	-40.4	0	0	0	109.5
560	G	28.1	Very low	27.5	Very low	69 Å²	69	129.8 Å²	129.8	71%	0.711	74%	0.743	S	S	*	*			trans	-170.1	20.7	-165.1	0	0	0	0	0	116.7
561	I	30.1	Very low	27.5	Very low	144 Å²	144	128.7 Å²	128.7	74%	0.738	74%	0.741	S	S	*	*			trans	64.9	113.8	154.7	-58.9	179.5	0	0	0	118.5
562	Y	28.4	Very low	27.6	Very low	207 Å²	207	129 Å²	129	81%	0.812	74%	0.744	S	S	*	*			trans	61.5	158.8	162.2	-60.5	-44.6	0	0	0	120.3
563	R	28.5	Very low	27.9	Very low	203 Å²	203	134.2 Å²	134.2	77%	0.766	76%	0.759	S	S	*	*				-162.1	145.4	-56.8	-120.5	-169.5	-178	-175.1	1.9	109
564	H	29	Very low	27.9	Very low	179 Å²	179	131 Å²	131	83%	0.829	76%	0.756	S	S	*	*			trans	16.7	119.8	165	-56.7	-77.8	0	0	0	120.7
565	G	29.3	Very low	28.1	Very low	88 Å²	88	132.5 Å²	132.5	91%	0.907	76%	0.758	S	S	*	*			trans	-171.4	94.3	166.4	0	0	0	0	0	114.1
566	S	24.8	Very low	28.3	Very low	118 Å²	118	133.4 Å²	133.4	83%	0.825	76%	0.758	S	S	*	*			trans	-144.1	149.5	167.2	-162	0	0	0	0	105.5
567	P	33	Very low	28.5	Very low	108 Å²	108	133.8 Å²	133.8	70%	0.701	76%	0.761	S	S	*	*			cis	-142.5	-159.1	26	30.3	-3.6	0	0	0	114.8
568	V	28.1	Very low	28.7	Very low	141 Å²	141	133.9 Å²	133.9	86%	0.855	76%	0.756	S	S	*	*			trans	81.3	149.6	161.8	-164.2	0	0	0	0	116.3
569	A	26.7	Very low	28.8	Very low	80 Å²	80	134.6 Å²	134.6	66%	0.661	76%	0.755	S	S	*	*			trans	-122.2	-165.3	-176.7	0	0	0	0	0	111.1
570	C	24.1	Very low	28.8	Very low	117 Å²	117	135.4 Å²	135.4	79%	0.791	75%	0.747	S	S	*	*			trans	81.6	142.6	177.4	-57.4	0	0	0	0	114.5
571	T	26.4	Very low	28.9	Very low	111 Å²	111	137.7 Å²	137.7	68%	0.681	74%	0.741	S	S	*	*			cis	-167.4	171.5	2.3	9	0	0	0	0	112.5
572	N	26.4	Very low	29	Very low	137 Å²	137	138.2 Å²	138.2	73%	0.733	75%	0.746	S	S	*	*			trans	73.5	148.2	153.1	-69.7	-33.6	0	0	0	116.6
573	K	32.4	Very low	29.1	Very low	194 Å²	194	131.2 Å²	131.2	84%	0.843	74%	0.737	S	S	*	*			cis	-149.6	177.2	6.7	-109.3	149.5	177.9	-177.3	0	106.7
574	S	28.5	Very low	29.1	Very low	98 Å²	98	130.6 Å²	130.6	69%	0.685	74%	0.74	S	S	*	*			cis	173.2	-176.6	-29	-160.6	0	0	0	0	105.2
575	I	29.8	Very low	28.9	Very low	141 Å²	141	132.9 Å²	132.9	72%	0.723	74%	0.743	S	S	*	*			cis	-151.7	145.1	10.1	-37.3	158.5	0	0	0	107.7
576	N	30.3	Very low	28.7	Very low	150 Å²	150	132.2 Å²	132.2	80%	0.802	73%	0.729	S	S	*	*			trans	158	145.1	139	-84.2	-12.4	0	0	0	112.4
577	S	32.1	Very low	28.8	Very low	82 Å²	82	133 Å²	133	57%	0.573	73%	0.729	S	S	*	*			cis	-172.9	120.8	-34.5	44.3	0	0	0	0	111.2
578	Q	31.4	Very low	28.4	Very low	158 Å²	158	132.3 Å²	132.3	74%	0.738	73%	0.726	S	S	*	*			trans	66.3	155	154.6	-59.7	-176.1	33.8	0	0	117.5
579	K	29.1	Very low	28.2	Very low	134 Å²	134	132.1 Å²	132.1	58%	0.583	72%	0.716	S	S	*	*			cis	-155.4	165.3	-22.6	-88.9	154.7	176.7	161.6	0	104.2
580	Y	27.9	Very low	28	Very low	185 Å²	185	137.9 Å²	137.9	73%	0.725	72%	0.721	S	S	*	*			cis	-144.5	138.2	33.4	-91.1	-99.8	0	0	0	108
581	I	30.7	Very low	28.1	Very low	116 Å²	116	138.5 Å²	138.5	60%	0.595	72%	0.716	S	S	*	*				68.1	123.1	74.9	-67.8	164.7	0	0	0	110.9
582	N	31.2	Very low	28	Very low	155 Å²	155	137.3 Å²	137.3	83%	0.829	71%	0.712	S	S	*	*			cis	-150.7	166.3	6.4	-96.5	-24.4	0	0	0	109.6
583	G	30.5	Very low	28	Very low	61 Å²	61	139.5 Å²	139.5	63%	0.629	72%	0.718	S	S	*	*			cis	161.7	158.4	-9.2	0	0	0	0	0	114.5
584	K	29.6	Very low	27.8	Very low	189 Å²	189	136.5 Å²	136.5	82%	0.822	71%	0.711	S	S	*	*			trans	71.4	130.5	164.6	-55	-177.1	-179.3	-179.1	0	118
585	Y	24.8	Very low	27.7	Very low	228 Å²	228	141.2 Å²	141.2	89%	0.894	72%	0.715	S	S	*	*			cis	77.8	142.2	39.8	-61	-53	0	0	0	114.1
586	A	25.7	Very low	27.6	Very low	74 Å²	74	140.3 Å²	140.3	61%	0.612	71%	0.711	S	S	*	*			cis	-174.6	173.9	-17.3	0	0	0	0	0	111.6
587	T	26.1	Very low	27.3	Very low	135 Å²	135	142.1 Å²	142.1	83%	0.828	71%	0.712	S	S	*	*			trans	62.9	116	144	41.5	0	0	0	0	124.3
588	S	24.3	Very low	27.5	Very low	93 Å²	93	143.1 Å²	143.1	65%	0.65	72%	0.717	S	S	*	*				96.1	129.5	109.7	-154	0	0	0	0	123.8
589	Q	24.4	Very low	27.2	Very low	137 Å²	137	140.3 Å²	140.3	64%	0.64	71%	0.714	S	S	*	*			trans	90.2	136.3	135.5	-100.1	175	93.9	0	0	124.1
590	R	23.3	Very low	27.3	Very low	201 Å²	201	139.4 Å²	139.4	76%	0.758	72%	0.72	S	S	*	*			trans	68.5	157	153.6	-61.8	178.5	-160.3	-158.7	2.8	116.7
591	N	25.3	Very low	27.3	Very low	129 Å²	129	136.1 Å²	136.1	69%	0.69	72%	0.724	S	S	*	*			cis	-156.2	131.9	-14.4	-113.1	19.6	0	0	0	106.5
592	S	24	Very low	27.1	Very low	86 Å²	86	136.1 Å²	136.1	60%	0.601	73%	0.734	S	S	*	*				82	158.4	87.1	78.5	0	0	0	0	116
593	E	26.4	Very low	26.8	Very low	183 Å²	183	135 Å²	135	86%	0.855	73%	0.734	S	S	*	*			trans	86.7	115.8	172	-66.4	165.8	-146.5	0	0	119.4
594	D	28.5	Very low	26.9	Very low	131 Å²	131	137.4 Å²	137.4	70%	0.701	74%	0.738	S	S	*	*			cis	-143.4	-99.3	-27.6	-173.4	46.8	0	0	0	111.8
595	Y	27.3	Very low	26.9	Very low	197 Å²	197	136.7 Å²	136.7	77%	0.773	74%	0.738	S	S	*	*			cis	-155.2	132.3	-4.3	-163.7	42.6	0	0	0	114.2
596	I	27.9	Very low	26.9	Very low	122 Å²	122	129.9 Å²	129.9	63%	0.626	72%	0.723	S	S	*	*			trans	73.8	122.1	166.9	-65.3	175.1	0	0	0	119.1
597	F	23.8	Very low	27.2	Very low	188 Å²	188	134.4 Å²	134.4	83%	0.825	73%	0.731	S	S	*	*			trans	-99.2	-164.2	171.8	-93.2	-98.7	0	0	0	110.7
598	P	35.1	Very low	27.2	Very low	104 Å²	104	131.7 Å²	131.7	68%	0.675	72%	0.718	S	S	*	*			cis	-122.3	178.1	-17.9	19.9	5.1	0	0	0	112.4
599	S	26.5	Very low	27.5	Very low	99 Å²	99	133.9 Å²	133.9	69%	0.692	72%	0.718	S	S	*	*				156	164.6	94.1	-78.5	0	0	0	0	110
600	T	29.7	Very low	27.8	Very low	115 Å²	115	129.8 Å²	129.8	71%	0.706	71%	0.705	S	S	*	*			cis	-168.6	145.5	-30.5	34.3	0	0	0	0	108.1
601	S	27.7	Very low	28.5	Very low	115 Å²	115	124.7 Å²	124.7	80%	0.804	70%	0.697	S	S	*	*			trans	58.1	144.5	162.3	51.4	0	0	0	0	119.7
602	S	28.2	Very low	28.8	Very low	116 Å²	116	124.8 Å²	124.8	81%	0.811	70%	0.698	S	S	*	*			cis	-159.7	155.9	-2.8	44.1	0	0	0	0	112.7
603	T	23.2	Very low	29.1	Very low	133 Å²	133	130.8 Å²	130.8	82%	0.816	71%	0.707	S	S	*	*			trans	-104.2	-179.2	169.5	43.3	0	0	0	0	111.3
604	P	33.4	Very low	29.5	Very low	111 Å²	111	130.7 Å²	130.7	72%	0.721	71%	0.711	S	S	*	*			cis	-134.3	-157.2	-19.1	30.9	-7	0	0	0	113.8
605	Q	29.8	Very low	29.5	Very low	174 Å²	174	131.4 Å²	131.4	81%	0.813	71%	0.714	S	S	*	*			trans	112.9	107.5	160.3	-65.3	-176.4	-2.9	0	0	115.1
606	S	24	Very low	29.8	Very low	85 Å²	85	130.8 Å²	130.8	59%	0.594	72%	0.717	S	S	*	*				75	127.2	68.1	69.3	0	0	0	0	113.9
607	H	32.3	Very low	30	Very low	168 Å²	168	132.2 Å²	132.2	78%	0.778	73%	0.726	S	S	*	*			cis	-154.8	-171.4	31.3	-77.1	-77.5	0	0	0	112.4
608	S	26.3	Very low	30.5	Very low	78 Å²	78	134.6 Å²	134.6	55%	0.545	73%	0.73	S	S	.	*				165.7	93.5	-67.7	62.8	0	0	0	0	113.5	D509	D509-S608 VanDerWaalsContact OD2-CA 3.27Å; D509-S608 WeakPolarHBondContact OD2-CA 3.35Å
609	Q	30.3	Very low	30.8	Very low	140 Å²	140	134.8 Å²	134.8	65%	0.654	73%	0.733	S	S	*	*			trans	-167.6	112.1	176.8	-107.5	-174	74	0	0	115.9	D509 V510	D509-Q609 VanDerWaalsContact CA-O 3.24Å; D509-Q609 WeakPolarHBondContact CA-O 3.22Å; D509-Q609 WeakPolarHBondContact CB-O 3.45Å; D509-Q609 VanDerWaalsContact CG-C 3.48Å; D509-Q609 PolarHBondContact OD1-N 3.01Å; D509-Q609 PolarHBondContact OD2-N 3.16Å; V510-Q609 WeakPolarHBondContact CA-O 3.49Å
610	S	29.9	Very low	31.7	Very low	51 Å²	51	135.3 Å²	135.3	36%	0.357	74%	0.737	S	S	.	*			trans	-98.4	-170.1	-179.4	-138.4	0	0	0	0	114.5	T508 D509	T508-S610 WeakPolarHBondContact CB-OG 3.31Å; T508-S610 VanDerWaalsContact CG2-OG 3.23Å; T508-S610 WeakPolarHBondContact CG2-OG 3.15Å; D509-S610 PolarHBondContact N-OG 3.1Å; D509-S610 PolarHBondContact OD1-N 3.24Å
611	P	39	Very low	33	Very low	93 Å²	93	132.7 Å²	132.7	60%	0.604	72%	0.724	S	S	*	*			cis	-146.2	-178	-2.8	34.5	-10.4	0	0	0	119.1
612	N	32.3	Very low	34.7	Very low	131 Å²	131	131.9 Å²	131.9	70%	0.701	72%	0.718	S	S	*	*				117	144.5	117.4	-110.7	-30.7	0	0	0	123.1
613	R	29.3	Very low	37	Very low	213 Å²	213	133 Å²	133	80%	0.804	71%	0.705	S	S	*	*			trans	60.8	93.4	152.9	-66.6	175.6	-178.5	-179.8	-0.7	120.5
614	I	34.7	Very low	39.7	Very low	181 Å²	181	129.3 Å²	129.3	93%	0.928	68%	0.684	S	S	*	*				-115	101.4	123.5	-62.2	-178.5	0	0	0	108.7
615	L	29.5	Very low	42.2	Very low	146 Å²	146	127.2 Å²	127.2	76%	0.764	66%	0.664	S	S	*	*			trans	-153.3	87	166.9	-151.2	-179.9	0	0	0	106.7
616	H	31.9	Very low	44.7	Very low	183 Å²	183	120.8 Å²	120.8	85%	0.847	64%	0.644	S	S	*	*			trans	172.6	72.2	160.5	-98.5	92.5	0	0	0	109.9
617	N	32.3	Very low	47.6	Very low	152 Å²	152	118.5 Å²	118.5	81%	0.813	63%	0.628	S	S	*	*			trans	-152.7	65.9	148	-143.9	-15.2	0	0	0	112.7
618	R	34.8	Very low	50.1	Low	239 Å²	239	114.4 Å²	114.4	90%	0.902	61%	0.614	S	S	*	*			trans	-117.1	106.9	146.4	-95.8	-169.2	172.3	-164.4	-2.3	106.7	S620	R618-S620 PolarHBondContact O-N 3Å
619	S	41.8	Very low	53.1	Low	107 Å²	107	115 Å²	115	75%	0.748	61%	0.612	S	S	*	*			trans	-62.6	87.7	162	38.9	0	0	0	0	108.9	S621	S619-S621 VanDerWaalsContact C-N 3.29Å; S619-S621 PolarHBondContact O-N 3.15Å
620	S	45.7	Very low	56.1	Low	110 Å²	110	108.4 Å²	108.4	77%	0.769	58%	0.58	S	S	*	*			trans	-65.6	95.9	159.3	50.2	0	0	0	0	107	R618 S622	R618-S620 PolarHBondContact O-N 3Å; S620-S622 PolarHBondContact O-N 2.95Å; S620-S622 VanDerWaalsContact O-N 3.11Å
621	S	56	Low	59.3	Low	61 Å²	61	107 Å²	107	43%	0.427	57%	0.568	S	S	.	*			trans	-53.8	121.7	175.7	45.9	0	0	0	0	108.5	S619 R623 D629	S619-S621 VanDerWaalsContact C-N 3.29Å; S619-S621 PolarHBondContact O-N 3.15Å; S621-R623 PolarHBondContact O-N 3.15Å; S621-D629 PolarHBondContact OG-OD2 2.96Å; S621-D629 VanDerWaalsContact OG-OD2 3.04Å
622	S	64.3	Low	62	Low	97 Å²	97	107.4 Å²	107.4	68%	0.678	56%	0.561	S	S	*	*			trans	-64.7	108.2	-178.9	-173.8	0	0	0	0	107.7	S620 S624	S620-S622 PolarHBondContact O-N 2.95Å; S620-S622 VanDerWaalsContact O-N 3.11Å; S622-S624 PolarHBondContact O-N 3.49Å
623	R	75.4	Confident	65	Low	141 Å²	141	105.1 Å²	105.1	53%	0.532	55%	0.545	S	S	.	.			trans	-76.4	80.6	177.8	-74.4	178.4	170.8	143.6	-0.4	108.8	S621 S630 V652	S621-R623 PolarHBondContact O-N 3.15Å; R623-S630 WeakPolarHBondContact CA-OG 3.29Å; R623-V652 HydrophobicContact CB-CG2 4.39Å; R623-V652 WeakPolarHBondContact O-CG2 3.28Å
624	S	81.7	Confident	68.2	Low	55 Å²	55	98.8 Å²	98.8	39%	0.385	53%	0.527	S	S	.	.			trans	-96.5	172	171.3	65	0	0	0	0	111	S622 S630	S622-S624 PolarHBondContact O-N 3.49Å; S624-S630 PolarHBondContact N-OG 3.47Å; S624-S630 WeakPolarHBondContact O-CB 3.43Å; S624-S630 PolarHBondContact O-OG 3.02Å
625	F	85.1	Confident	71.1	Confident	67 Å²	67	93.8 Å²	93.8	29%	0.294	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	161.5	158.3	-64.9	-80.1	0	0	0	110.7	C627 Y631 V652 M653 D694	F625-C627 PolarHBondContact O-N 2.97Å; F625-C627 VanDerWaalsContact O-N 3.08Å; F625-Y631 VanDerWaalsContact CD1-OH 3.3Å; F625-Y631 WeakPolarHBondContact CD1-OH 3.37Å; F625-V652 HydrophobicContact CD2-CG1 4.25Å; F625-V652 HydrophobicContact CE1-CG1 4.35Å; F625-V652 HydrophobicContact CE2-CG1 3.73Å; F625-V652 HydrophobicContact CZ-CG1 3.79Å; F625-M653 HydrophobicContact CE1-CE 4.34Å; F625-M653 HydrophobicContact CE1-CG 3.86Å; F625-M653 HydrophobicContact CE1-SD 4.02Å; F625-M653 HydrophobicContact CZ-CE 4.41Å; F625-M653 HydrophobicContact CZ-CG 3.92Å; F625-M653 HydrophobicContact CZ-SD 4.47Å; F625-D694 WeakPolarHBondContact CA-OD2 3.43Å; F625-D694 HydrophobicContact CD1-CB 4.01Å
626	G	82.5	Confident	74.2	Confident	39 Å²	39	89.7 Å²	89.7	40%	0.402	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	-15.8	-173.8	0	0	0	0	0	115.5	D694	G626-D694 PolarHBondContact N-OD1 3.23Å; G626-D694 PolarHBondContact N-OD2 3.26Å
627	C	84.6	Confident	77.1	Confident	37 Å²	37	83.4 Å²	83.4	25%	0.25	46%	0.455	C	S	.	.			trans	-87.6	137	-176.9	-167.6	0	0	0	0	112.8	F625 D629 S630 Y631	F625-C627 PolarHBondContact O-N 2.97Å; F625-C627 VanDerWaalsContact O-N 3.08Å; C627-D629 PolarHBondContact O-N 2.94Å; C627-S630 WeakPolarHBondContact O-CB 3.46Å; C627-S630 PolarHBondContact O-N 2.85Å; C627-Y631 WeakPolarHBondContact O-CD2 3.43Å
628	V	85.5	Confident	79.7	Confident	82 Å²	82	77.1 Å²	77.1	50%	0.497	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-63.1	-41.9	175.3	-175.4	0	0	0	0	111.6	S630 Y631 V696 T698	V628-S630 PolarHBondContact O-N 3.18Å; V628-Y631 PolarHBondContact O-N 3.22Å; V628-V696 HydrophobicContact CB-CG1 4.41Å; V628-V696 HydrophobicContact CG2-CG1 3.68Å; V628-T698 HydrophobicContact CG2-CG2 3.68Å
629	D	89.3	Confident	82.3	Confident	91 Å²	91	71.8 Å²	71.8	49%	0.487	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-63.4	-10	-179.9	-73.2	7	0	0	0	114.2	S621 C627 H651	S621-D629 PolarHBondContact OG-OD2 2.96Å; S621-D629 VanDerWaalsContact OG-OD2 3.04Å; C627-D629 PolarHBondContact O-N 2.94Å; D629-H651 PolarHBondContact O-CD2 3.37Å
630	S	92.9	Very high	84.1	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-82.2	-12.3	175.7	-74	0	0	0	0	113.7	R623 S624 C627 V628 S650 H651 V652	R623-S630 WeakPolarHBondContact CA-OG 3.29Å; S624-S630 PolarHBondContact N-OG 3.47Å; S624-S630 WeakPolarHBondContact O-CB 3.43Å; S624-S630 PolarHBondContact O-OG 3.02Å; C627-S630 WeakPolarHBondContact O-CB 3.46Å; C627-S630 PolarHBondContact O-N 2.85Å; V628-S630 PolarHBondContact O-N 3.18Å; S630-S650 WeakPolarHBondContact O-CA 3.32Å; S630-H651 PolarHBondContact O-N 3.34Å; S630-V652 WeakPolarHBondContact OG-CG2 3.45Å
631	Y	96.2	Very high	85.5	Confident	23 Å²	23	69.3 Å²	69.3	9%	0.09	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	107.8	-172	-61.3	-75.5	0	0	0	113.1	F625 C627 V628 S650 V657 D694 V696 I705	F625-Y631 VanDerWaalsContact CD1-OH 3.3Å; F625-Y631 WeakPolarHBondContact CD1-OH 3.37Å; C627-Y631 WeakPolarHBondContact O-CD2 3.43Å; V628-Y631 PolarHBondContact O-N 3.22Å; Y631-S650 WeakPolarHBondContact CE1-OG 3.41Å; Y631-V657 HydrophobicContact CD1-CG2 4.16Å; Y631-D694 WeakPolarHBondContact CE2-OD2 3.44Å; Y631-D694 WeakPolarHBondContact OH-CB 3.25Å; Y631-D694 PolarHBondContact OH-OD2 3.25Å; Y631-V696 HydrophobicContact CD2-CG2 3.82Å; Y631-V696 HydrophobicContact CE2-CG2 3.72Å; Y631-I705 HydrophobicContact CD1-CD1 4.2Å; Y631-I705 HydrophobicContact CD1-CG1 4.39Å; Y631-I705 HydrophobicContact CD1-CG2 3.93Å; Y631-I705 HydrophobicContact CD2-CD1 4.24Å; Y631-I705 HydrophobicContact CD2-CG1 4.37Å; Y631-I705 HydrophobicContact CE1-CB 4.37Å; Y631-I705 HydrophobicContact CE1-CD1 4.47Å; Y631-I705 HydrophobicContact CE1-CG1 4.16Å; Y631-I705 HydrophobicContact CE1-CG2 3.45Å; Y631-I705 VanDerWaalsContact CE1-CG2 3.45Å; Y631-I705 HydrophobicContact CE2-CG1 4.14Å; Y631-I705 HydrophobicContact CG-CD1 4.07Å; Y631-I705 HydrophobicContact CG-CG1 4.48Å
632	Q	95.4	Very high	86.6	Confident	100 Å²	100	75.7 Å²	75.7	47%	0.467	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	118.4	171.7	-177.9	176.9	6.8	0	0	110	L634 G648 Y649	Q632-L634 HydrophobicContact CG-CD2 4.08Å; Q632-G648 CarbonylContact O-C 3.55Å; Q632-G648 WeakPolarHBondContact O-CA 3.28Å; Q632-Y649 PolarHBondContact N-O 2.89Å; Q632-Y649 PolarHBondContact O-N 3.25Å
633	K	96.1	Very high	87.8	Confident	83 Å²	83	71.8 Å²	71.8	36%	0.361	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	143.9	166.4	-66.6	176.4	-176	168.1	0	110.3	Y646 E661	K633-Y646 HydrophobicContact CB-CD1 4.49Å; K633-Y646 HydrophobicContact CB-CG 4.43Å; K633-Y646 HydrophobicContact CD-CD1 4.4Å; K633-Y646 HydrophobicContact CD-CD2 3.93Å; K633-Y646 HydrophobicContact CD-CE2 4.18Å; K633-Y646 HydrophobicContact CD-CG 4.05Å; K633-Y646 HydrophobicContact CG-CD2 4.49Å; K633-Y646 HydrophobicContact CG-CG 4.26Å; K633-E661 IonicContact NZ-OE1 2.66Å; K633-E661 PolarHBondContact NZ-OE1 3.49Å; K633-E661 IonicContact NZ-OE2 2.73Å; K633-E661 PolarHBondContact NZ-OE2 2.9Å
634	L	96	Very high	88.7	Confident	81 Å²	81	65.2 Å²	65.2	42%	0.424	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-121.2	-178.3	-57.1	175.1	0	0	0	109.1	Q632 R647	Q632-L634 HydrophobicContact CG-CD2 4.08Å; L634-R647 WeakPolarHBondContact CA-O 3.34Å; L634-R647 HydrophobicContact CB-CB 4.37Å; L634-R647 WeakPolarHBondContact CB-O 3.02Å; L634-R647 HydrophobicContact CD1-CG 4.49Å; L634-R647 PolarHBondContact N-O 3Å
635	D	95.5	Very high	89.3	Confident	75 Å²	75	64.6 Å²	64.6	40%	0.401	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	159.3	177.5	53.3	-77.8	0	0	0	114	Y646 R647	D635-Y646 CarbonylContact O-C 3.39Å; D635-Y646 WeakPolarHBondContact O-CA 3.19Å; D635-R647 PolarHBondContact O-N 2.91Å; D635-R647 WeakPolarHBondContact OD1-CD 3.04Å; D635-R647 IonicContact OD1-NH1 3.75Å
636	V	95.3	Very high	89.8	Confident	60 Å²	60	63.7 Å²	63.7	36%	0.364	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	117.4	176.3	178.6	0	0	0	0	110.1	K437 T644 Y646	K437-V636 PolarHBondContact NZ-O 2.87Å; V636-T644 HydrophobicContact CG1-CG2 4.09Å; V636-Y646 HydrophobicContact CG2-CD1 3.84Å; V636-Y646 HydrophobicContact CG2-CE1 3.68Å
637	L	92.5	Very high	90.5	Very high	52 Å²	52	66.2 Å²	66.2	27%	0.272	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-35	175.8	-65.2	173.9	0	0	0	111.9	K437 V645 R647 A658 F708	K437-L637 WeakPolarHBondContact CE-O 3.2Å; K437-L637 PolarHBondContact NZ-O 3.2Å; L637-V645 WeakPolarHBondContact CA-O 3.49Å; L637-V645 HydrophobicContact CB-CB 4.43Å; L637-V645 HydrophobicContact CB-CG1 4.16Å; L637-V645 WeakPolarHBondContact CB-O 3.39Å; L637-V645 HydrophobicContact CD1-CG1 4.3Å; L637-V645 PolarHBondContact N-O 3.05Å; L637-R647 HydrophobicContact CD1-CB 3.96Å; L637-R647 HydrophobicContact CD2-CB 4.07Å; L637-R647 HydrophobicContact CG-CB 3.9Å; L637-A658 HydrophobicContact CD1-CB 4.22Å; L637-F708 HydrophobicContact CD1-CD2 3.9Å; L637-F708 HydrophobicContact CD1-CE2 3.69Å; L637-F708 HydrophobicContact CD2-CE2 3.84Å; L637-F708 HydrophobicContact CG-CE2 4.42Å
638	G	87.8	Confident	91.1	Very high	20 Å²	20	64.5 Å²	64.5	21%	0.206	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	167	172.2	0	0	0	0	0	112.7	V645	G638-V645 PolarHBondContact N-O 3.43Å; G638-V645 VanDerWaalsContact N-O 3.16Å; G638-V645 PolarHBondContact O-N 3.31Å
639	E	88.2	Confident	91.7	Very high	127 Å²	127	64.2 Å²	64.2	59%	0.593	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.1	170.5	-172.2	164.6	-145.5	0	0	108.7	T644 R663	E639-T644 HydrophobicContact CB-CG2 4.27Å; E639-T644 HydrophobicContact CG-CG2 4.3Å; E639-T644 PolarHBondContact OE1-OG1 3.15Å; E639-T644 VanDerWaalsContact OE1-OG1 3.13Å; E639-R663 IonicContact OE1-CZ 2.9Å; E639-R663 IonicContact OE1-NH1 3.79Å; E639-R663 IonicContact OE1-NH2 3.82Å; E639-R663 PolarHBondContact OE1-NH2 2.76Å
640	G	79.6	Confident	92.1	Very high	46 Å²	46	59.9 Å²	59.9	47%	0.474	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	174.2	176.4	0	0	0	0	0	110.8	Y642 A643	G640-Y642 PolarHBondContact O-N 3.49Å; G640-A643 PolarHBondContact N-O 3.34Å; G640-A643 PolarHBondContact O-N 3.04Å
641	S	75.4	Confident	92.2	Very high	118 Å²	118	62 Å²	62	83%	0.825	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-25.6	-166.4	-45.4	0	0	0	0	116.2
642	Y	79.6	Confident	92	Very high	196 Å²	196	63 Å²	63	77%	0.769	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-10.4	-176	-54.2	-73.5	0	0	0	114.1	G640	G640-Y642 PolarHBondContact O-N 3.49Å
643	A	89.4	Confident	91.9	Very high	14 Å²	14	61 Å²	61	12%	0.116	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	143.5	-168.7	0	0	0	0	0	113.2	G640 K660 E661 I662	G640-A643 PolarHBondContact N-O 3.34Å; G640-A643 PolarHBondContact O-N 3.04Å; A643-K660 HydrophobicContact CB-CG 4.06Å; A643-E661 CarbonylContact C-O 3.44Å; A643-E661 WeakPolarHBondContact CA-O 3.47Å; A643-E661 WeakPolarHBondContact CB-O 3.48Å; A643-I662 HydrophobicContact CB-CG1 4.09Å
644	T	93.3	Very high	91.9	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.018	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.3	169.4	-44.8	0	0	0	0	108.5	V636 E639 Y646 E661 R663	V636-T644 HydrophobicContact CG1-CG2 4.09Å; E639-T644 HydrophobicContact CB-CG2 4.27Å; E639-T644 HydrophobicContact CG-CG2 4.3Å; E639-T644 PolarHBondContact OE1-OG1 3.15Å; E639-T644 VanDerWaalsContact OE1-OG1 3.13Å; T644-Y646 HydrophobicContact CG2-CD2 4.39Å; T644-Y646 HydrophobicContact CG2-CE1 4.21Å; T644-Y646 HydrophobicContact CG2-CE2 3.73Å; T644-E661 PolarHBondContact N-O 2.99Å; T644-E661 PolarHBondContact O-N 2.96Å; T644-R663 PolarHBondContact OG1-NH2 3.45Å
645	V	95	Very high	91.9	Very high	43 Å²	43	67.6 Å²	67.6	26%	0.261	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.6	177.9	-171.5	0	0	0	0	109	L637 G638 A658 V659 K660	L637-V645 WeakPolarHBondContact CA-O 3.49Å; L637-V645 HydrophobicContact CB-CB 4.43Å; L637-V645 HydrophobicContact CB-CG1 4.16Å; L637-V645 WeakPolarHBondContact CB-O 3.39Å; L637-V645 HydrophobicContact CD1-CG1 4.3Å; L637-V645 PolarHBondContact N-O 3.05Å; G638-V645 PolarHBondContact N-O 3.43Å; G638-V645 VanDerWaalsContact N-O 3.16Å; G638-V645 PolarHBondContact O-N 3.31Å; V645-A658 HydrophobicContact CG1-CB 4.44Å; V645-V659 WeakPolarHBondContact CA-O 3.48Å; V645-K660 HydrophobicContact CG2-CB 4.25Å; V645-K660 HydrophobicContact CG2-CG 4.18Å
646	Y	96.7	Very high	92	Very high	48 Å²	48	65.6 Å²	65.6	19%	0.188	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	148.8	174.2	-57.9	-92.7	0	0	0	110.3	K633 D635 V636 T644 A658 V659 E661	K633-Y646 HydrophobicContact CB-CD1 4.49Å; K633-Y646 HydrophobicContact CB-CG 4.43Å; K633-Y646 HydrophobicContact CD-CD1 4.4Å; K633-Y646 HydrophobicContact CD-CD2 3.93Å; K633-Y646 HydrophobicContact CD-CE2 4.18Å; K633-Y646 HydrophobicContact CD-CG 4.05Å; K633-Y646 HydrophobicContact CG-CD2 4.49Å; K633-Y646 HydrophobicContact CG-CG 4.26Å; D635-Y646 CarbonylContact O-C 3.39Å; D635-Y646 WeakPolarHBondContact O-CA 3.19Å; V636-Y646 HydrophobicContact CG2-CD1 3.84Å; V636-Y646 HydrophobicContact CG2-CE1 3.68Å; T644-Y646 HydrophobicContact CG2-CD2 4.39Å; T644-Y646 HydrophobicContact CG2-CE1 4.21Å; T644-Y646 HydrophobicContact CG2-CE2 3.73Å; Y646-A658 CarbonylContact O-C 3.23Å; Y646-A658 WeakPolarHBondContact O-CA 3.32Å; Y646-V659 PolarHBondContact N-O 3.32Å; Y646-V659 PolarHBondContact O-N 3.16Å; Y646-E661 HydrophobicContact CD2-CB 4.34Å; Y646-E661 HydrophobicContact CE2-CB 4.04Å; Y646-E661 WeakPolarHBondContact CE2-OE1 3.4Å
647	R	97.4	Very high	92.1	Very high	92 Å²	92	62.7 Å²	62.7	35%	0.347	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	143.5	153.8	-164.1	-175.3	-171.9	-171.7	-0.5	107.1	L634 D635 L637 F708	L634-R647 WeakPolarHBondContact CA-O 3.34Å; L634-R647 HydrophobicContact CB-CB 4.37Å; L634-R647 WeakPolarHBondContact CB-O 3.02Å; L634-R647 HydrophobicContact CD1-CG 4.49Å; L634-R647 PolarHBondContact N-O 3Å; D635-R647 PolarHBondContact O-N 2.91Å; D635-R647 WeakPolarHBondContact OD1-CD 3.04Å; D635-R647 IonicContact OD1-NH1 3.75Å; L637-R647 HydrophobicContact CD1-CB 3.96Å; L637-R647 HydrophobicContact CD2-CB 4.07Å; L637-R647 HydrophobicContact CG-CB 3.9Å; R647-F708 HydrophobicContact CG-CD2 3.99Å; R647-F708 HydrophobicContact CG-CE2 3.87Å; R647-F708 HydrophobicContact CG-CG 4.47Å; R647-F708 HydrophobicContact CG-CZ 4.22Å
648	G	97.1	Very high	92.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	175.8	175.8	0	0	0	0	0	112.3	Q632 A656 V657	Q632-G648 CarbonylContact O-C 3.55Å; Q632-G648 WeakPolarHBondContact O-CA 3.28Å; G648-A656 CarbonylContact O-C 3.6Å; G648-A656 VanDerWaalsContact O-CA 3.29Å; G648-A656 WeakPolarHBondContact O-CA 3.1Å; G648-V657 PolarHBondContact N-O 3.28Å; G648-V657 PolarHBondContact O-N 2.87Å
649	Y	97.6	Very high	92.7	Very high	76 Å²	76	60 Å²	60	30%	0.298	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	125.1	172	-177.7	-95.2	0	0	0	109.5	Q632 H651 R654	Q632-Y649 PolarHBondContact N-O 2.89Å; Q632-Y649 PolarHBondContact O-N 3.25Å; Y649-H651 AromaticContact CD1-CE1 3.93Å; Y649-H651 AromaticContact CD1-ND1 3.61Å; Y649-H651 AromaticContact CE1-ND1 3.68Å; Y649-R654 WeakPolarHBondContact CE2-O 3.31Å; Y649-R654 WeakPolarHBondContact OH-CA 3.44Å; Y649-R654 PolarHBondContact OH-O 3.31Å
650	S	97.2	Very high	93	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120.9	173.7	-177.8	0	0	0	0	109.9	S630 Y631 V652 M653 R654 R655	S630-S650 WeakPolarHBondContact O-CA 3.32Å; Y631-S650 WeakPolarHBondContact CE1-OG 3.41Å; S650-V652 PolarHBondContact O-N 3.4Å; S650-V652 PolarHBondContact OG-N 3.22Å; S650-M653 PolarHBondContact OG-N 3.31Å; S650-R654 VanDerWaalsContact O-CA 3.25Å; S650-R654 WeakPolarHBondContact O-CA 3.43Å; S650-R654 PolarHBondContact O-N 3.05Å; S650-R655 PolarHBondContact N-O 3.1Å
651	H	94.7	Very high	93.7	Very high	44 Å²	44	53.9 Å²	53.9	20%	0.204	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.8	171.7	-63.9	-48.2	0	0	0	112.8	D629 S630 Y649 R654	D629-H651 PolarHBondContact O-CD2 3.37Å; S630-H651 PolarHBondContact O-N 3.34Å; Y649-H651 AromaticContact CD1-CE1 3.93Å; Y649-H651 AromaticContact CD1-ND1 3.61Å; Y649-H651 AromaticContact CE1-ND1 3.68Å; H651-R654 WeakPolarHBondContact O-CD 3.34Å; H651-R654 PolarHBondContact O-NE 2.84Å
652	V	92.9	Very high	94.5	Very high	46 Å²	46	48.9 Å²	48.9	28%	0.279	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-61.6	174.6	-173.7	0	0	0	0	109.8	R623 F625 S630 S650 R654	R623-V652 HydrophobicContact CB-CG2 4.39Å; R623-V652 WeakPolarHBondContact O-CG2 3.28Å; F625-V652 HydrophobicContact CD2-CG1 4.25Å; F625-V652 HydrophobicContact CE1-CG1 4.35Å; F625-V652 HydrophobicContact CE2-CG1 3.73Å; F625-V652 HydrophobicContact CZ-CG1 3.79Å; S630-V652 WeakPolarHBondContact OG-CG2 3.45Å; S650-V652 PolarHBondContact O-N 3.4Å; S650-V652 PolarHBondContact OG-N 3.22Å; V652-R654 PolarHBondContact O-N 3.32Å
653	M	93.7	Very high	94.9	Very high	57 Å²	57	46.7 Å²	46.7	28%	0.281	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-3.8	-175.4	-49.2	-179.6	97.9	0	0	113.9	F625 S650 R655 H693	F625-M653 HydrophobicContact CE1-CE 4.34Å; F625-M653 HydrophobicContact CE1-CG 3.86Å; F625-M653 HydrophobicContact CE1-SD 4.02Å; F625-M653 HydrophobicContact CZ-CE 4.41Å; F625-M653 HydrophobicContact CZ-CG 3.92Å; F625-M653 HydrophobicContact CZ-SD 4.47Å; S650-M653 PolarHBondContact OG-N 3.31Å; M653-R655 HydrophobicContact CB-CG 3.93Å; M653-R655 PolarHBondContact O-N 3Å; M653-H693 HydrophobicContact CE-CB 4.06Å; M653-H693 HydrophobicContact SD-CB 3.94Å; M653-H693 PolarHBondContact SD-CD2 3.43Å
654	R	95.3	Very high	94.7	Very high	183 Å²	183	47 Å²	47	69%	0.691	21%	0.207	S	C	*	.			trans	53.3	22.1	-178.9	-58.5	-61.8	177.7	132.4	2.1	115.7	Y649 S650 H651 V652	Y649-R654 WeakPolarHBondContact CE2-O 3.31Å; Y649-R654 WeakPolarHBondContact OH-CA 3.44Å; Y649-R654 PolarHBondContact OH-O 3.31Å; S650-R654 VanDerWaalsContact O-CA 3.25Å; S650-R654 WeakPolarHBondContact O-CA 3.43Å; S650-R654 PolarHBondContact O-N 3.05Å; H651-R654 WeakPolarHBondContact O-CD 3.34Å; H651-R654 PolarHBondContact O-NE 2.84Å; V652-R654 PolarHBondContact O-N 3.32Å
655	R	95.9	Very high	94.2	Very high	119 Å²	119	48.7 Å²	48.7	45%	0.449	22%	0.216	S	C	.	.	S	Bend	trans	-129.4	164.2	-176.9	69.2	-176.3	-176.3	-163.1	3.3	112.9	S650 M653 H693	S650-R655 PolarHBondContact N-O 3.1Å; M653-R655 HydrophobicContact CB-CG 3.93Å; M653-R655 PolarHBondContact O-N 3Å; R655-H693 PolarHBondContact NH2-CE1 3.16Å; R655-H693 PolarHBondContact NH2-NE2 2.83Å
656	A	96.9	Very high	93.3	Very high	33 Å²	33	52 Å²	52	27%	0.273	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	144.3	169	0	0	0	0	0	110.8	G648 F708	G648-A656 CarbonylContact O-C 3.6Å; G648-A656 VanDerWaalsContact O-CA 3.29Å; G648-A656 WeakPolarHBondContact O-CA 3.1Å; A656-F708 HydrophobicContact CB-CB 3.82Å; A656-F708 HydrophobicContact CB-CD1 3.79Å; A656-F708 HydrophobicContact CB-CG 4.02Å
657	V	97.6	Very high	92.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	160.6	178.3	-68.8	0	0	0	0	109.5	Y631 G648 V659 I705 F706	Y631-V657 HydrophobicContact CD1-CG2 4.16Å; G648-V657 PolarHBondContact N-O 3.28Å; G648-V657 PolarHBondContact O-N 2.87Å; V657-V659 HydrophobicContact CG2-CG2 4.09Å; V657-I705 HydrophobicContact CB-CG2 3.87Å; V657-I705 HydrophobicContact CG1-CG2 3.9Å; V657-I705 HydrophobicContact CG2-CG2 4.1Å; V657-F706 CarbonylContact C-O 3.25Å; V657-F706 VanDerWaalsContact CA-O 3.31Å; V657-F706 WeakPolarHBondContact CA-O 3.2Å; V657-F706 VanDerWaalsContact CB-O 3.29Å; V657-F706 WeakPolarHBondContact CB-O 3.42Å
658	A	97.4	Very high	91.7	Very high	13 Å²	13	60.3 Å²	60.3	11%	0.107	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.9	167.3	0	0	0	0	0	109.3	L637 V645 Y646 F706	L637-A658 HydrophobicContact CD1-CB 4.22Å; V645-A658 HydrophobicContact CG1-CB 4.44Å; Y646-A658 CarbonylContact O-C 3.23Å; Y646-A658 WeakPolarHBondContact O-CA 3.32Å; A658-F706 HydrophobicContact CB-CB 4.22Å; A658-F706 PolarHBondContact N-O 2.87Å; A658-F706 PolarHBondContact O-N 3.43Å
659	V	96.2	Very high	91	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	96.9	-175.8	-176.2	0	0	0	0	108.3	V645 Y646 V657 E661 N703 F704 I705	V645-V659 WeakPolarHBondContact CA-O 3.48Å; Y646-V659 PolarHBondContact N-O 3.32Å; Y646-V659 PolarHBondContact O-N 3.16Å; V657-V659 HydrophobicContact CG2-CG2 4.09Å; V659-E661 PolarHBondContact O-N 2.87Å; V659-N703 HydrophobicContact CG1-CB 4.05Å; V659-F704 WeakPolarHBondContact CA-O 3.31Å; V659-I705 HydrophobicContact CB-CD1 4.41Å; V659-I705 HydrophobicContact CG1-CD1 3.97Å; V659-I705 HydrophobicContact CG2-CD1 3.95Å
660	K	94.7	Very high	90.3	Very high	22 Å²	22	61.1 Å²	61.1	10%	0.096	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	96.6	173.9	-179.6	-172.7	-163.1	-174.8	0	107.6	A643 V645 E677 F704 F706 D770	A643-K660 HydrophobicContact CB-CG 4.06Å; V645-K660 HydrophobicContact CG2-CB 4.25Å; V645-K660 HydrophobicContact CG2-CG 4.18Å; K660-E677 IonicContact NZ-OE1 3.6Å; K660-E677 PolarHBondContact NZ-OE1 3.23Å; K660-E677 IonicContact NZ-OE2 3.76Å; K660-E677 PolarHBondContact NZ-OE2 3.26Å; K660-F704 HydrophobicContact CB-CB 4.21Å; K660-F704 PolarHBondContact N-O 3.06Å; K660-F704 PolarHBondContact O-N 2.89Å; K660-F706 HydrophobicContact CB-CD2 4.29Å; K660-F706 HydrophobicContact CB-CE2 4Å; K660-F706 HydrophobicContact CD-CE2 3.99Å; K660-D770 IonicContact NZ-OD1 3.63Å; K660-D770 PolarHBondContact NZ-OD1 2.8Å
661	E	94.2	Very high	89.5	Confident	23 Å²	23	62.9 Å²	62.9	11%	0.107	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	110.1	178.8	-179.7	160.6	51.6	0	0	110.7	K633 A643 T644 Y646 V659 T701 N703	K633-E661 IonicContact NZ-OE1 2.66Å; K633-E661 PolarHBondContact NZ-OE1 3.49Å; K633-E661 IonicContact NZ-OE2 2.73Å; K633-E661 PolarHBondContact NZ-OE2 2.9Å; A643-E661 CarbonylContact C-O 3.44Å; A643-E661 WeakPolarHBondContact CA-O 3.47Å; A643-E661 WeakPolarHBondContact CB-O 3.48Å; T644-E661 PolarHBondContact N-O 2.99Å; T644-E661 PolarHBondContact O-N 2.96Å; Y646-E661 HydrophobicContact CD2-CB 4.34Å; Y646-E661 HydrophobicContact CE2-CB 4.04Å; Y646-E661 WeakPolarHBondContact CE2-OE1 3.4Å; V659-E661 PolarHBondContact O-N 2.87Å; E661-T701 HydrophobicContact CG-CG2 3.81Å; E661-T701 VanDerWaalsContact OE2-CB 3.27Å; E661-T701 WeakPolarHBondContact OE2-CB 3.43Å; E661-T701 VanDerWaalsContact OE2-CG2 3.29Å; E661-T701 WeakPolarHBondContact OE2-CG2 3.39Å; E661-T701 PolarHBondContact OE2-OG1 2.99Å; E661-N703 WeakPolarHBondContact CB-OD1 3.11Å; E661-N703 WeakPolarHBondContact CG-OD1 3.5Å; E661-N703 PolarHBondContact OE2-OD1 3Å; E661-N703 VanDerWaalsContact OE2-OD1 3.09Å
662	I	91.4	Very high	88.9	Confident	13 Å²	13	66.3 Å²	66.3	7%	0.067	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.5	172.7	-51.8	-176.8	0	0	0	108.1	A643 P671 A674 T701 L702 F704	A643-I662 HydrophobicContact CB-CG1 4.09Å; I662-P671 HydrophobicContact CG2-CG 4.01Å; I662-A674 HydrophobicContact CD1-CB 3.62Å; I662-T701 CarbonylContact O-C 3.16Å; I662-T701 VanDerWaalsContact O-CA 3.23Å; I662-T701 WeakPolarHBondContact O-CA 3.5Å; I662-T701 WeakPolarHBondContact O-CB 3.48Å; I662-L702 HydrophobicContact CB-CB 4.5Å; I662-L702 PolarHBondContact N-O 3.13Å; I662-L702 PolarHBondContact O-N 3.45Å; I662-F704 HydrophobicContact CD1-CD2 3.99Å; I662-F704 HydrophobicContact CD1-CE2 3.61Å; I662-F704 HydrophobicContact CD1-CZ 4.46Å; I662-F704 HydrophobicContact CG1-CD2 4.46Å; I662-F704 HydrophobicContact CG1-CE2 4.47Å
663	R	87.7	Confident	88.3	Confident	150 Å²	150	67.5 Å²	67.5	57%	0.566	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	125.3	176.8	-60.3	179.8	-168.9	152.2	13.2	109.2	E639 T644	E639-R663 IonicContact OE1-CZ 2.9Å; E639-R663 IonicContact OE1-NH1 3.79Å; E639-R663 IonicContact OE1-NH2 3.82Å; E639-R663 PolarHBondContact OE1-NH2 2.76Å; T644-R663 PolarHBondContact OG1-NH2 3.45Å
664	I	86.5	Confident	87.9	Confident	21 Å²	21	64.8 Å²	64.8	11%	0.108	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-89	123.3	177.8	-59.9	169.8	0	0	0	107.5	P666 G669 L670 T698 K700 T701 L702	I664-P666 WeakPolarHBondContact O-CD 3.38Å; I664-G669 WeakPolarHBondContact CG2-O 3.38Å; I664-L670 HydrophobicContact CD1-CD2 3.52Å; I664-L670 HydrophobicContact CG1-CD2 3.95Å; I664-T698 WeakPolarHBondContact CD1-O 3.45Å; I664-K700 WeakPolarHBondContact CB-O 3.35Å; I664-K700 PolarHBondContact N-O 2.93Å; I664-T701 VanDerWaalsContact CD1-C 3.44Å; I664-L702 HydrophobicContact CD1-CB 4.15Å; I664-L702 HydrophobicContact CG1-CB 4.31Å
665	N	82.3	Confident	87.4	Confident	38 Å²	38	59.8 Å²	59.8	20%	0.203	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-79.7	117.8	163.2	-176.3	13.9	0	0	0	107.5	E667 E668 G669	N665-E667 PolarHBondContact O-N 2.89Å; N665-E667 VanDerWaalsContact O-N 3.07Å; N665-E668 HydrophobicContact CB-CB 4.16Å; N665-E668 HydrophobicContact CB-CG 4.23Å; N665-E668 PolarHBondContact ND2-OE1 3.14Å; N665-E668 PolarHBondContact O-N 2.88Å; N665-G669 PolarHBondContact O-N 3.49Å
666	P	76.1	Confident	86.8	Confident	111 Å²	111	57.3 Å²	57.3	72%	0.721	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.2	-178.2	23.8	-35.4	0	0	0	113.9	I664	I664-P666 WeakPolarHBondContact O-CD 3.38Å
667	E	81.4	Confident	86.2	Confident	162 Å²	162	56 Å²	56	76%	0.757	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-27.9	174.7	-63.9	163.8	-178.7	0	0	113.3	N665	N665-E667 PolarHBondContact O-N 2.89Å; N665-E667 VanDerWaalsContact O-N 3.07Å
668	E	78.9	Confident	85.7	Confident	153 Å²	153	56.8 Å²	56.8	72%	0.715	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-15.4	-178.3	-66.6	165.8	-128	0	0	112.8	N665	N665-E668 HydrophobicContact CB-CB 4.16Å; N665-E668 HydrophobicContact CB-CG 4.23Å; N665-E668 PolarHBondContact ND2-OE1 3.14Å; N665-E668 PolarHBondContact O-N 2.88Å
669	G	82.8	Confident	85.2	Confident	32 Å²	32	59.9 Å²	59.9	33%	0.33	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	70.3	-152.4	-175.1	0	0	0	0	0	113.1	I664 N665	I664-G669 WeakPolarHBondContact CG2-O 3.38Å; N665-G669 PolarHBondContact O-N 3.49Å
670	L	81.9	Confident	84.7	Confident	61 Å²	61	61 Å²	61	32%	0.319	32%	0.317	S	S	.	.	S	Bend	trans	-75.1	122	178.8	-68	-176.4	0	0	0	110.6	I664 F672 I675 L702	I664-L670 HydrophobicContact CD1-CD2 3.52Å; I664-L670 HydrophobicContact CG1-CD2 3.95Å; L670-F672 PolarHBondContact O-N 2.72Å; L670-I675 HydrophobicContact CB-CD1 4.15Å; L670-I675 HydrophobicContact CB-CG1 4.38Å; L670-L702 HydrophobicContact CD2-CB 4.37Å; L670-L702 HydrophobicContact CD2-CD2 4.21Å
671	P	82.1	Confident	84.4	Confident	38 Å²	38	60.3 Å²	60.3	25%	0.247	32%	0.315	C	S	.	.			trans	-65.4	129.5	-177.8	25.1	-33	0	0	0	111	I662 T673 A674 I675	I662-P671 HydrophobicContact CG2-CG 4.01Å; P671-T673 PolarHBondContact O-N 3.23Å; P671-A674 HydrophobicContact CG-CB 4.09Å; P671-A674 WeakPolarHBondContact O-CB 3.39Å; P671-A674 PolarHBondContact O-N 2.69Å; P671-I675 PolarHBondContact O-N 2.86Å
672	F	81.2	Confident	84	Confident	116 Å²	116	67.1 Å²	67.1	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-54.9	-32.1	-176	-167.2	-74.1	0	0	0	113.2	L670 A674 I675 R676 L1779	L670-F672 PolarHBondContact O-N 2.72Å; F672-A674 VanDerWaalsContact C-N 3.29Å; F672-A674 PolarHBondContact O-N 2.75Å; F672-I675 PolarHBondContact O-N 3.05Å; F672-R676 HydrophobicContact CD1-CB 4.43Å; F672-R676 VanDerWaalsContact CD1-NH2 3.29Å; F672-R676 HydrophobicContact CE1-CB 4.32Å; F672-R676 WeakPolarHBondContact O-CB 3.3Å; F672-R676 PolarHBondContact O-N 3.48Å; F672-L1779 HydrophobicContact CE2-CD1 4.18Å
673	T	81	Confident	83.8	Confident	70 Å²	70	69.8 Å²	69.8	43%	0.429	37%	0.368	S	S	.	.	H	α-helix	trans	-56.6	-41.6	174	42.6	0	0	0	0	112.4	P671 R676 E677	P671-T673 PolarHBondContact O-N 3.23Å; T673-R676 PolarHBondContact O-N 2.78Å; T673-E677 WeakPolarHBondContact O-CB 3.45Å; T673-E677 PolarHBondContact O-N 2.96Å
674	A	84.5	Confident	84	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-69.3	-42.5	176.5	0	0	0	0	0	111.9	I662 P671 F672 R676 E677 A678 L702 F704	I662-A674 HydrophobicContact CD1-CB 3.62Å; P671-A674 HydrophobicContact CG-CB 4.09Å; P671-A674 WeakPolarHBondContact O-CB 3.39Å; P671-A674 PolarHBondContact O-N 2.69Å; F672-A674 VanDerWaalsContact C-N 3.29Å; F672-A674 PolarHBondContact O-N 2.75Å; A674-R676 VanDerWaalsContact C-N 3.3Å; A674-R676 PolarHBondContact O-N 3.02Å; A674-E677 PolarHBondContact O-N 2.79Å; A674-A678 WeakPolarHBondContact O-CB 3.38Å; A674-A678 PolarHBondContact O-N 3.07Å; A674-L702 HydrophobicContact CB-CD2 3.87Å; A674-F704 HydrophobicContact CB-CE2 4.03Å; A674-F704 HydrophobicContact CB-CZ 4Å; A674-F704 WeakPolarHBondContact O-CZ 3.45Å
675	I	84.5	Confident	84.4	Confident	78 Å²	78	70.8 Å²	70.8	40%	0.4	37%	0.371	S	S	.	.	H	α-helix	trans	-60.3	-42.7	176.5	-57.3	176.4	0	0	0	110.3	L670 P671 F672 S679	L670-I675 HydrophobicContact CB-CD1 4.15Å; L670-I675 HydrophobicContact CB-CG1 4.38Å; P671-I675 PolarHBondContact O-N 2.86Å; F672-I675 PolarHBondContact O-N 3.05Å; I675-S679 WeakPolarHBondContact O-CB 3.43Å; I675-S679 PolarHBondContact O-N 3.44Å; I675-S679 PolarHBondContact O-OG 3.25Å
676	R	84	Confident	85.1	Confident	67 Å²	67	69.3 Å²	69.3	25%	0.253	36%	0.363	S	S	.	.	H	α-helix	trans	-63.8	-48.1	174.2	-170.3	-170.3	-63.1	113.8	0.4	111.9	F672 T673 A674 A678 S679 L680 A774	F672-R676 HydrophobicContact CD1-CB 4.43Å; F672-R676 VanDerWaalsContact CD1-NH2 3.29Å; F672-R676 HydrophobicContact CE1-CB 4.32Å; F672-R676 WeakPolarHBondContact O-CB 3.3Å; F672-R676 PolarHBondContact O-N 3.48Å; T673-R676 PolarHBondContact O-N 2.78Å; A674-R676 VanDerWaalsContact C-N 3.3Å; A674-R676 PolarHBondContact O-N 3.02Å; R676-A678 VanDerWaalsContact C-N 3.35Å; R676-A678 PolarHBondContact O-N 3.25Å; R676-S679 PolarHBondContact O-N 3.4Å; R676-L680 HydrophobicContact CG-CD1 4.04Å; R676-L680 HydrophobicContact CG-CG 4.43Å; R676-L680 WeakPolarHBondContact O-CG 3.41Å; R676-L680 PolarHBondContact O-N 3.41Å; R676-A774 VanDerWaalsContact CD-O 3.26Å; R676-A774 WeakPolarHBondContact CD-O 3.41Å
677	E	84.6	Confident	86.2	Confident	5 Å²	5	64.5 Å²	64.5	2%	0.023	33%	0.333	C	S	.	.	H	α-helix	trans	-58.3	-45.9	178.9	179.7	167	-164	0	0	111.2	K660 T673 A674 L680 L681 F704 F771	K660-E677 IonicContact NZ-OE1 3.6Å; K660-E677 PolarHBondContact NZ-OE1 3.23Å; K660-E677 IonicContact NZ-OE2 3.76Å; K660-E677 PolarHBondContact NZ-OE2 3.26Å; T673-E677 WeakPolarHBondContact O-CB 3.45Å; T673-E677 PolarHBondContact O-N 2.96Å; A674-E677 PolarHBondContact O-N 2.79Å; E677-L680 PolarHBondContact O-N 2.81Å; E677-L681 HydrophobicContact CG-CD1 3.55Å; E677-L681 HydrophobicContact CG-CG 4.39Å; E677-L681 WeakPolarHBondContact O-CB 3.46Å; E677-L681 WeakPolarHBondContact O-CD1 3.49Å; E677-L681 VanDerWaalsContact O-CG 3.28Å; E677-L681 WeakPolarHBondContact O-CG 3.45Å; E677-L681 PolarHBondContact O-N 3.27Å; E677-F704 HydrophobicContact CB-CE1 4.43Å; E677-F704 HydrophobicContact CG-CE1 4.17Å; E677-F771 HydrophobicContact CG-CB 4.38Å
678	A	85.9	Confident	87	Confident	17 Å²	17	56.9 Å²	56.9	14%	0.14	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-45.8	175.3	0	0	0	0	0	112.8	A674 R676 K682 I695 F704	A674-A678 WeakPolarHBondContact O-CB 3.38Å; A674-A678 PolarHBondContact O-N 3.07Å; R676-A678 VanDerWaalsContact C-N 3.35Å; R676-A678 PolarHBondContact O-N 3.25Å; A678-K682 WeakPolarHBondContact O-CB 3.28Å; A678-K682 PolarHBondContact O-N 3.23Å; A678-I695 HydrophobicContact CB-CD1 3.61Å; A678-F704 HydrophobicContact CB-CE1 3.72Å; A678-F704 HydrophobicContact CB-CZ 3.95Å
679	S	86.8	Confident	87.9	Confident	78 Å²	78	49.7 Å²	49.7	55%	0.545	26%	0.264	S	S	.	.	H	α-helix	trans	-64.5	-41.2	-179.1	-57.4	0	0	0	0	112	I675 R676	I675-S679 WeakPolarHBondContact O-CB 3.43Å; I675-S679 PolarHBondContact O-N 3.44Å; I675-S679 PolarHBondContact O-OG 3.25Å; R676-S679 PolarHBondContact O-N 3.4Å
680	L	86.8	Confident	88.5	Confident	25 Å²	25	48.4 Å²	48.4	13%	0.131	25%	0.25	C	C	.	.	H	α-helix	trans	-67.9	-51.9	176.6	-67.9	174.4	0	0	0	111.1	R676 E677 K682 A683 L684 I748 A774	R676-L680 HydrophobicContact CG-CD1 4.04Å; R676-L680 HydrophobicContact CG-CG 4.43Å; R676-L680 WeakPolarHBondContact O-CG 3.41Å; R676-L680 PolarHBondContact O-N 3.41Å; E677-L680 PolarHBondContact O-N 2.81Å; L680-K682 VanDerWaalsContact C-N 3.28Å; L680-K682 PolarHBondContact O-N 3.1Å; L680-A683 PolarHBondContact O-N 3.43Å; L680-L684 WeakPolarHBondContact O-CG 3.19Å; L680-L684 PolarHBondContact O-N 3.11Å; L680-L684 VanDerWaalsContact O-N 3.09Å; L680-I748 HydrophobicContact CD2-CD1 3.84Å; L680-I748 HydrophobicContact CD2-CG1 3.97Å; L680-A774 HydrophobicContact CD1-CB 3.73Å
681	L	87.7	Confident	89.1	Confident	8 Å²	8	49.2 Å²	49.2	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-30.9	-178	-72.4	165.9	0	0	0	113.4	E677 A683 L684 L692 F706 F771	E677-L681 HydrophobicContact CG-CD1 3.55Å; E677-L681 HydrophobicContact CG-CG 4.39Å; E677-L681 WeakPolarHBondContact O-CB 3.46Å; E677-L681 WeakPolarHBondContact O-CD1 3.49Å; E677-L681 VanDerWaalsContact O-CG 3.28Å; E677-L681 WeakPolarHBondContact O-CG 3.45Å; E677-L681 PolarHBondContact O-N 3.27Å; L681-A683 PolarHBondContact O-N 2.97Å; L681-L684 PolarHBondContact O-N 3Å; L681-L692 HydrophobicContact CB-CB 4.01Å; L681-L692 HydrophobicContact CB-CD2 3.81Å; L681-L692 HydrophobicContact CD1-CB 4.44Å; L681-L692 HydrophobicContact CD1-CD2 4.11Å; L681-F706 HydrophobicContact CD1-CE1 3.51Å; L681-F706 HydrophobicContact CD1-CZ 3.55Å; L681-F706 HydrophobicContact CD2-CE1 4.23Å; L681-F706 HydrophobicContact CG-CE1 4.49Å; L681-F771 HydrophobicContact CD2-CB 4.33Å; L681-F771 HydrophobicContact CD2-CD2 3.74Å; L681-F771 HydrophobicContact CD2-CE2 4.32Å; L681-F771 HydrophobicContact CD2-CG 4.12Å; L681-F771 HydrophobicContact CG-CB 4.34Å
682	K	86.8	Confident	89.7	Confident	166 Å²	166	48.9 Å²	48.9	72%	0.722	25%	0.249	S	C	*	.	H	α-helix	trans	-65.4	-27.7	174.6	-171.9	172.2	-179	177.1	0	112.7	A678 L680	A678-K682 WeakPolarHBondContact O-CB 3.28Å; A678-K682 PolarHBondContact O-N 3.23Å; L680-K682 VanDerWaalsContact C-N 3.28Å; L680-K682 PolarHBondContact O-N 3.1Å
683	A	85.5	Confident	90.3	Very high	69 Å²	69	45.2 Å²	45.2	57%	0.57	23%	0.234	S	C	*	.	H	α-helix	trans	-92.2	-20.1	178.3	0	0	0	0	0	113.8	L680 L681	L680-A683 PolarHBondContact O-N 3.43Å; L681-A683 PolarHBondContact O-N 2.97Å
684	L	92.8	Very high	90.9	Very high	10 Å²	10	43 Å²	43	5%	0.052	22%	0.219	C	C	.	.			trans	-87.3	109.6	-179.4	-66.8	170	0	0	0	111.3	L680 L681 I689 Y742 I748 F771	L680-L684 WeakPolarHBondContact O-CG 3.19Å; L680-L684 PolarHBondContact O-N 3.11Å; L680-L684 VanDerWaalsContact O-N 3.09Å; L681-L684 PolarHBondContact O-N 3Å; L684-I689 HydrophobicContact CB-CD1 4.17Å; L684-I689 HydrophobicContact CB-CG2 4.23Å; L684-I689 HydrophobicContact CD1-CD1 4.49Å; L684-I689 HydrophobicContact CD2-CD1 4.06Å; L684-I689 HydrophobicContact CG-CD1 4.47Å; L684-Y742 HydrophobicContact CB-CE1 4.43Å; L684-Y742 HydrophobicContact CD2-CD1 3.98Å; L684-Y742 HydrophobicContact CD2-CE1 3.64Å; L684-I748 HydrophobicContact CD1-CD1 4.47Å; L684-I748 HydrophobicContact CD2-CD1 3.72Å; L684-I748 HydrophobicContact CG-CD1 4.22Å; L684-F771 HydrophobicContact CD1-CD1 3.71Å; L684-F771 HydrophobicContact CD1-CE1 3.42Å; L684-F771 VanDerWaalsContact CD1-CE1 3.42Å; L684-F771 HydrophobicContact CD1-CG 4.4Å; L684-F771 HydrophobicContact CD1-CZ 3.91Å
685	R	94.6	Very high	91.3	Very high	183 Å²	183	45.5 Å²	45.5	69%	0.691	23%	0.232	S	C	*	.			trans	-126.8	92.1	175.4	-68.7	-173.3	176.4	-159.5	-1.1	110.7	Y742	R685-Y742 PolarHBondContact N-OH 3.11Å; R685-Y742 VanDerWaalsContact O-CE2 3.28Å; R685-Y742 WeakPolarHBondContact O-CE2 3.3Å; R685-Y742 VanDerWaalsContact O-CZ 3.28Å; R685-Y742 PolarHBondContact O-OH 3.33Å
686	H	97.7	Very high	91.7	Very high	6 Å²	6	42 Å²	42	3%	0.028	21%	0.214	C	C	.	.			trans	-146.7	144.5	-178.7	-176.2	-105	0	0	0	110.1	N688 I689 Y742 D971	H686-N688 PolarHBondContact CE1-OD1 3.13Å; H686-N688 VanDerWaalsContact CE1-OD1 3.25Å; H686-N688 PolarHBondContact ND1-N 2.88Å; H686-N688 VanDerWaalsContact ND1-N 3.13Å; H686-N688 PolarHBondContact O-N 3.38Å; H686-I689 HydrophobicContact CB-CB 4.32Å; H686-I689 HydrophobicContact CB-CD1 3.84Å; H686-I689 HydrophobicContact CB-CG1 3.98Å; H686-I689 PolarHBondContact O-N 3.25Å; H686-I689 VanDerWaalsContact O-N 3.09Å; H686-Y742 HydrophobicContact CB-CD1 3.92Å; H686-Y742 HydrophobicContact CB-CD2 3.6Å; H686-Y742 HydrophobicContact CB-CE1 4.05Å; H686-Y742 HydrophobicContact CB-CE2 3.69Å; H686-Y742 HydrophobicContact CB-CG 3.72Å; H686-Y742 AromaticContact CD2-CD2 3.39Å; H686-Y742 WeakPolarHBondContact CD2-CD2 3.26Å; H686-Y742 AromaticContact CD2-CG 3.85Å; H686-Y742 AromaticContact CG-CD2 3.66Å; H686-Y742 AromaticContact CG-CG 3.78Å; H686-D971 CarbonylContact C-O 3.25Å; H686-D971 WeakPolarHBondContact CA-O 3.42Å; H686-D971 PolarHBondContact CD2-O 3.21Å; H686-D971 IonicContact CD2-OD1 3.76Å
687	A	97.9	Very high	92	Very high	11 Å²	11	43.8 Å²	43.8	9%	0.091	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-31.5	-176.8	0	0	0	0	0	113.3	K767 D971 L973	A687-K767 WeakPolarHBondContact O-CE 3.42Å; A687-D971 PolarHBondContact N-O 3.29Å; A687-L973 WeakPolarHBondContact CB-O 3.19Å
688	N	98.4	Very high	92.2	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	25.8	179.8	-50.5	105.4	0	0	0	113.5	H686 Q735 R738 L766 K767 L768	H686-N688 PolarHBondContact CE1-OD1 3.13Å; H686-N688 VanDerWaalsContact CE1-OD1 3.25Å; H686-N688 PolarHBondContact ND1-N 2.88Å; H686-N688 VanDerWaalsContact ND1-N 3.13Å; H686-N688 PolarHBondContact O-N 3.38Å; N688-Q735 WeakPolarHBondContact CB-O 3.46Å; N688-Q735 WeakPolarHBondContact ND2-CB 3.43Å; N688-Q735 WeakPolarHBondContact ND2-CG 3.46Å; N688-Q735 PolarHBondContact ND2-OE1 3.44Å; N688-R738 PolarHBondContact OD1-NH1 3.41Å; N688-L766 WeakPolarHBondContact CA-O 3.16Å; N688-L766 VanDerWaalsContact CB-O 3.31Å; N688-L766 WeakPolarHBondContact CB-O 3.48Å; N688-L766 PolarHBondContact ND2-O 3.1Å; N688-K767 WeakPolarHBondContact O-CA 3.33Å; N688-L768 PolarHBondContact O-N 2.86Å
689	I	97.7	Very high	92.2	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-127.5	139.6	169.8	-61.6	177.5	0	0	0	108	L684 H686 I691 Y742 C743 L768 F771	L684-I689 HydrophobicContact CB-CD1 4.17Å; L684-I689 HydrophobicContact CB-CG2 4.23Å; L684-I689 HydrophobicContact CD1-CD1 4.49Å; L684-I689 HydrophobicContact CD2-CD1 4.06Å; L684-I689 HydrophobicContact CG-CD1 4.47Å; H686-I689 HydrophobicContact CB-CB 4.32Å; H686-I689 HydrophobicContact CB-CD1 3.84Å; H686-I689 HydrophobicContact CB-CG1 3.98Å; H686-I689 PolarHBondContact O-N 3.25Å; H686-I689 VanDerWaalsContact O-N 3.09Å; I689-I691 PolarHBondContact O-N 3.37Å; I689-Y742 HydrophobicContact CD1-CD1 3.6Å; I689-Y742 HydrophobicContact CD1-CE1 4.05Å; I689-Y742 HydrophobicContact CD1-CG 4.39Å; I689-C743 VanDerWaalsContact CD1-SG 3.54Å; I689-L768 HydrophobicContact CG1-CB 4.38Å; I689-L768 HydrophobicContact CG1-CD1 4.18Å; I689-F771 HydrophobicContact CG2-CE2 3.81Å; I689-F771 HydrophobicContact CG2-CZ 3.89Å
690	V	96.2	Very high	92.3	Very high	6 Å²	6	58.3 Å²	58.3	4%	0.036	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-67.5	124	179.7	71.3	0	0	0	0	111.3	L692 F706 E707 L759 L768 A769	V690-L692 PolarHBondContact O-N 3.16Å; V690-F706 HydrophobicContact CB-CD1 4.48Å; V690-F706 HydrophobicContact CG1-CD1 3.81Å; V690-F706 HydrophobicContact CG1-CE1 3.85Å; V690-F706 HydrophobicContact CG2-CB 4.22Å; V690-F706 HydrophobicContact CG2-CD1 3.96Å; V690-F706 HydrophobicContact CG2-CG 4.45Å; V690-E707 HydrophobicContact CG2-CG 3.67Å; V690-L759 HydrophobicContact CB-CD1 4.44Å; V690-L759 HydrophobicContact CG2-CD1 4.06Å; V690-L768 WeakPolarHBondContact CB-O 3.4Å; V690-L768 WeakPolarHBondContact CG1-O 3.32Å; V690-L768 PolarHBondContact N-O 2.94Å; V690-A769 HydrophobicContact CB-CB 4.29Å; V690-A769 HydrophobicContact CG1-CB 3.79Å
691	I	94.4	Very high	92.6	Very high	78 Å²	78	58 Å²	58	40%	0.4	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-79.1	121.4	-176.2	-56.6	169.3	0	0	0	110.3	I689 H693 F706 E707	I689-I691 PolarHBondContact O-N 3.37Å; I691-H693 WeakPolarHBondContact CG2-ND1 3.38Å; I691-H693 PolarHBondContact O-ND1 2.78Å; I691-F706 WeakPolarHBondContact O-CA 3.27Å; I691-E707 HydrophobicContact CB-CG 4.45Å; I691-E707 WeakPolarHBondContact CG1-OE1 3.27Å; I691-E707 PolarHBondContact N-OE1 2.74Å; I691-E707 PolarHBondContact O-N 3.16Å
692	L	94.7	Very high	92.8	Very high	30 Å²	30	58.1 Å²	58.1	16%	0.157	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	123.5	164.5	-177.3	61.1	0	0	0	109.5	L681 V690 D694 I695 F704 F706	L681-L692 HydrophobicContact CB-CB 4.01Å; L681-L692 HydrophobicContact CB-CD2 3.81Å; L681-L692 HydrophobicContact CD1-CB 4.44Å; L681-L692 HydrophobicContact CD1-CD2 4.11Å; V690-L692 PolarHBondContact O-N 3.16Å; L692-D694 WeakPolarHBondContact CD1-O 3.42Å; L692-I695 HydrophobicContact CD1-CG1 4.47Å; L692-I695 HydrophobicContact CD2-CD1 4.07Å; L692-I695 HydrophobicContact CD2-CG1 4.1Å; L692-F704 HydrophobicContact CD1-CB 3.86Å; L692-F704 HydrophobicContact CD1-CD1 3.8Å; L692-F704 HydrophobicContact CD1-CG 4.28Å; L692-F704 HydrophobicContact CD2-CD1 3.92Å; L692-F704 HydrophobicContact CD2-CE1 4.29Å; L692-F706 HydrophobicContact CB-CD1 4.26Å; L692-F706 HydrophobicContact CB-CE1 4.19Å; L692-F706 HydrophobicContact CD1-CD1 4.26Å; L692-F706 HydrophobicContact CD1-CD2 4.48Å; L692-F706 HydrophobicContact CD1-CE1 4.19Å; L692-F706 HydrophobicContact CD1-CE2 4.39Å; L692-F706 HydrophobicContact CD1-CG 4.43Å; L692-F706 HydrophobicContact CD1-CZ 4.25Å
693	H	93.2	Very high	93.2	Very high	39 Å²	39	50.7 Å²	50.7	18%	0.181	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-40	-178.3	-59.4	-16.4	0	0	0	113.2	M653 R655 I691 I705 E707	M653-H693 HydrophobicContact CE-CB 4.06Å; M653-H693 HydrophobicContact SD-CB 3.94Å; M653-H693 PolarHBondContact SD-CD2 3.43Å; R655-H693 PolarHBondContact NH2-CE1 3.16Å; R655-H693 PolarHBondContact NH2-NE2 2.83Å; I691-H693 WeakPolarHBondContact CG2-ND1 3.38Å; I691-H693 PolarHBondContact O-ND1 2.78Å; H693-I705 WeakPolarHBondContact CA-O 3.33Å; H693-I705 HydrophobicContact CB-CG2 4.49Å; H693-I705 WeakPolarHBondContact CB-O 3.14Å; H693-I705 PolarHBondContact N-O 2.57Å; H693-E707 WeakPolarHBondContact NE2-CA 3.15Å; H693-E707 PolarHBondContact NE2-N 2.96Å
694	D	93.4	Very high	93.6	Very high	23 Å²	23	47.4 Å²	47.4	12%	0.123	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	161.4	-172	-166.2	9.3	0	0	0	110.8	F625 G626 Y631 L692 I705	F625-D694 WeakPolarHBondContact CA-OD2 3.43Å; F625-D694 HydrophobicContact CD1-CB 4.01Å; G626-D694 PolarHBondContact N-OD1 3.23Å; G626-D694 PolarHBondContact N-OD2 3.26Å; Y631-D694 WeakPolarHBondContact CE2-OD2 3.44Å; Y631-D694 WeakPolarHBondContact OH-CB 3.25Å; Y631-D694 PolarHBondContact OH-OD2 3.25Å; L692-D694 WeakPolarHBondContact CD1-O 3.42Å; D694-I705 HydrophobicContact CB-CB 3.92Å; D694-I705 HydrophobicContact CB-CG1 3.93Å; D694-I705 PolarHBondContact N-O 3.26Å; D694-I705 WeakPolarHBondContact O-CB 3.42Å; D694-I705 PolarHBondContact O-N 3.1Å
695	I	93.4	Very high	93.7	Very high	53 Å²	53	47 Å²	47	27%	0.272	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	107.9	176.3	-55.4	177	0	0	0	108.5	A678 L692 L702 N703	A678-I695 HydrophobicContact CB-CD1 3.61Å; L692-I695 HydrophobicContact CD1-CG1 4.47Å; L692-I695 HydrophobicContact CD2-CD1 4.07Å; L692-I695 HydrophobicContact CD2-CG1 4.1Å; I695-L702 HydrophobicContact CG2-CD1 3.55Å; I695-L702 HydrophobicContact CG2-CG 4.22Å; I695-N703 CarbonylContact C-O 3.1Å; I695-N703 WeakPolarHBondContact CA-O 3.49Å
696	V	93.3	Very high	93.8	Very high	4 Å²	4	39 Å²	39	2%	0.024	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	104.7	-178	178.5	0	0	0	0	110	V628 Y631 N703 I705	V628-V696 HydrophobicContact CB-CG1 4.41Å; V628-V696 HydrophobicContact CG2-CG1 3.68Å; Y631-V696 HydrophobicContact CD2-CG2 3.82Å; Y631-V696 HydrophobicContact CE2-CG2 3.72Å; V696-N703 HydrophobicContact CB-CB 4.23Å; V696-N703 PolarHBondContact N-O 3.48Å; V696-N703 WeakPolarHBondContact O-CB 3.21Å; V696-N703 PolarHBondContact O-N 3.1Å; V696-N703 PolarHBondContact O-ND2 3.45Å; V696-N703 VanDerWaalsContact O-ND2 3.1Å; V696-I705 HydrophobicContact CG2-CD1 4.4Å; V696-I705 HydrophobicContact CG2-CG1 4.15Å
697	H	90.9	Very high	93.7	Very high	106 Å²	106	40.1 Å²	40.1	49%	0.491	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	138.8	175.9	175	60.8	0	0	0	111.8	L702	H697-L702 HydrophobicContact CB-CD1 3.88Å
698	T	89.2	Confident	93.6	Very high	36 Å²	36	41.4 Å²	41.4	22%	0.221	20%	0.196	C	C	.	.			trans	-132.9	164.7	169.9	79.8	0	0	0	0	109.9	V628 I664 K700 T701	V628-T698 HydrophobicContact CG2-CG2 3.68Å; I664-T698 WeakPolarHBondContact CD1-O 3.45Å; T698-K700 PolarHBondContact O-N 3.47Å; T698-K700 PolarHBondContact OG1-N 3.24Å; T698-T701 PolarHBondContact N-O 3.47Å; T698-T701 PolarHBondContact O-N 3.4Å; T698-T701 PolarHBondContact OG1-N 2.85Å; T698-T701 PolarHBondContact OG1-O 3.11Å; T698-T701 PolarHBondContact OG1-OG1 3.06Å
699	K	85.9	Confident	93.6	Very high	202 Å²	202	42 Å²	42	88%	0.878	20%	0.2	S	C	*	.	S	Bend	trans	-56.2	-8.7	176.3	-63.1	-169	177.7	-170.7	0	115.4
700	K	88.7	Confident	93.4	Very high	166 Å²	166	46 Å²	46	72%	0.722	22%	0.219	S	C	*	.	S	Bend	trans	-133	-19.6	-178.8	-64.3	-174.2	179.2	-178.2	0	114.6	I664 T698	I664-K700 WeakPolarHBondContact CB-O 3.35Å; I664-K700 PolarHBondContact N-O 2.93Å; T698-K700 PolarHBondContact O-N 3.47Å; T698-K700 PolarHBondContact OG1-N 3.24Å
701	T	92.3	Very high	93.4	Very high	20 Å²	20	47.2 Å²	47.2	12%	0.123	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	146.5	-176.1	68	0	0	0	0	112.9	E661 I662 I664 T698 N703	E661-T701 HydrophobicContact CG-CG2 3.81Å; E661-T701 VanDerWaalsContact OE2-CB 3.27Å; E661-T701 WeakPolarHBondContact OE2-CB 3.43Å; E661-T701 VanDerWaalsContact OE2-CG2 3.29Å; E661-T701 WeakPolarHBondContact OE2-CG2 3.39Å; E661-T701 PolarHBondContact OE2-OG1 2.99Å; I662-T701 CarbonylContact O-C 3.16Å; I662-T701 VanDerWaalsContact O-CA 3.23Å; I662-T701 WeakPolarHBondContact O-CA 3.5Å; I662-T701 WeakPolarHBondContact O-CB 3.48Å; I664-T701 VanDerWaalsContact CD1-C 3.44Å; T698-T701 PolarHBondContact N-O 3.47Å; T698-T701 PolarHBondContact O-N 3.4Å; T698-T701 PolarHBondContact OG1-N 2.85Å; T698-T701 PolarHBondContact OG1-O 3.11Å; T698-T701 PolarHBondContact OG1-OG1 3.06Å; T701-N703 PolarHBondContact OG1-ND2 3.3Å
702	L	92.4	Very high	93.5	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.047	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.2	170.8	-176	66.2	0	0	0	108	I662 I664 L670 A674 I695 H697 F704	I662-L702 HydrophobicContact CB-CB 4.5Å; I662-L702 PolarHBondContact N-O 3.13Å; I662-L702 PolarHBondContact O-N 3.45Å; I664-L702 HydrophobicContact CD1-CB 4.15Å; I664-L702 HydrophobicContact CG1-CB 4.31Å; L670-L702 HydrophobicContact CD2-CB 4.37Å; L670-L702 HydrophobicContact CD2-CD2 4.21Å; A674-L702 HydrophobicContact CB-CD2 3.87Å; I695-L702 HydrophobicContact CG2-CD1 3.55Å; I695-L702 HydrophobicContact CG2-CG 4.22Å; H697-L702 HydrophobicContact CB-CD1 3.88Å; L702-F704 HydrophobicContact CD2-CE2 3.66Å; L702-F704 HydrophobicContact CD2-CZ 4.24Å; L702-F704 HydrophobicContact CG-CD2 4.39Å; L702-F704 HydrophobicContact CG-CE2 3.87Å
703	N	94	Very high	93.7	Very high	11 Å²	11	43 Å²	43	6%	0.059	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.1	-172.3	-58.6	-95.3	0	0	0	109.7	V659 E661 I695 V696 T701 I705	V659-N703 HydrophobicContact CG1-CB 4.05Å; E661-N703 WeakPolarHBondContact CB-OD1 3.11Å; E661-N703 WeakPolarHBondContact CG-OD1 3.5Å; E661-N703 PolarHBondContact OE2-OD1 3Å; E661-N703 VanDerWaalsContact OE2-OD1 3.09Å; I695-N703 CarbonylContact C-O 3.1Å; I695-N703 WeakPolarHBondContact CA-O 3.49Å; V696-N703 HydrophobicContact CB-CB 4.23Å; V696-N703 PolarHBondContact N-O 3.48Å; V696-N703 WeakPolarHBondContact O-CB 3.21Å; V696-N703 PolarHBondContact O-N 3.1Å; V696-N703 PolarHBondContact O-ND2 3.45Å; V696-N703 VanDerWaalsContact O-ND2 3.1Å; T701-N703 PolarHBondContact OG1-ND2 3.3Å; N703-I705 HydrophobicContact CB-CD1 4.39Å
704	F	94.3	Very high	93.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.8	172.3	-71.4	-119.1	0	0	0	108.5	V659 K660 I662 A674 E677 A678 L692 L702 F706	V659-F704 WeakPolarHBondContact CA-O 3.31Å; K660-F704 HydrophobicContact CB-CB 4.21Å; K660-F704 PolarHBondContact N-O 3.06Å; K660-F704 PolarHBondContact O-N 2.89Å; I662-F704 HydrophobicContact CD1-CD2 3.99Å; I662-F704 HydrophobicContact CD1-CE2 3.61Å; I662-F704 HydrophobicContact CD1-CZ 4.46Å; I662-F704 HydrophobicContact CG1-CD2 4.46Å; I662-F704 HydrophobicContact CG1-CE2 4.47Å; A674-F704 HydrophobicContact CB-CE2 4.03Å; A674-F704 HydrophobicContact CB-CZ 4Å; A674-F704 WeakPolarHBondContact O-CZ 3.45Å; E677-F704 HydrophobicContact CB-CE1 4.43Å; E677-F704 HydrophobicContact CG-CE1 4.17Å; A678-F704 HydrophobicContact CB-CE1 3.72Å; A678-F704 HydrophobicContact CB-CZ 3.95Å; L692-F704 HydrophobicContact CD1-CB 3.86Å; L692-F704 HydrophobicContact CD1-CD1 3.8Å; L692-F704 HydrophobicContact CD1-CG 4.28Å; L692-F704 HydrophobicContact CD2-CD1 3.92Å; L692-F704 HydrophobicContact CD2-CE1 4.29Å; L702-F704 HydrophobicContact CD2-CE2 3.66Å; L702-F704 HydrophobicContact CD2-CZ 4.24Å; L702-F704 HydrophobicContact CG-CD2 4.39Å; L702-F704 HydrophobicContact CG-CE2 3.87Å; F704-F706 HydrophobicContact CB-CD2 3.96Å; F704-F706 HydrophobicContact CB-CE2 3.43Å; F704-F706 VanDerWaalsContact CB-CE2 3.43Å; F704-F706 HydrophobicContact CB-CZ 4.17Å; F704-F706 HydrophobicContact CD1-CE2 4.32Å; F704-F706 HydrophobicContact CD1-CZ 4.25Å; F704-F706 HydrophobicContact CG-CE2 4.24Å
705	I	95.4	Very high	94	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	98.4	-179.4	-48.5	-56.8	0	0	0	108.5	Y631 V657 V659 H693 D694 V696 N703	Y631-I705 HydrophobicContact CD1-CD1 4.2Å; Y631-I705 HydrophobicContact CD1-CG1 4.39Å; Y631-I705 HydrophobicContact CD1-CG2 3.93Å; Y631-I705 HydrophobicContact CD2-CD1 4.24Å; Y631-I705 HydrophobicContact CD2-CG1 4.37Å; Y631-I705 HydrophobicContact CE1-CB 4.37Å; Y631-I705 HydrophobicContact CE1-CD1 4.47Å; Y631-I705 HydrophobicContact CE1-CG1 4.16Å; Y631-I705 HydrophobicContact CE1-CG2 3.45Å; Y631-I705 VanDerWaalsContact CE1-CG2 3.45Å; Y631-I705 HydrophobicContact CE2-CG1 4.14Å; Y631-I705 HydrophobicContact CG-CD1 4.07Å; Y631-I705 HydrophobicContact CG-CG1 4.48Å; V657-I705 HydrophobicContact CB-CG2 3.87Å; V657-I705 HydrophobicContact CG1-CG2 3.9Å; V657-I705 HydrophobicContact CG2-CG2 4.1Å; V659-I705 HydrophobicContact CB-CD1 4.41Å; V659-I705 HydrophobicContact CG1-CD1 3.97Å; V659-I705 HydrophobicContact CG2-CD1 3.95Å; H693-I705 WeakPolarHBondContact CA-O 3.33Å; H693-I705 HydrophobicContact CB-CG2 4.49Å; H693-I705 WeakPolarHBondContact CB-O 3.14Å; H693-I705 PolarHBondContact N-O 2.57Å; D694-I705 HydrophobicContact CB-CB 3.92Å; D694-I705 HydrophobicContact CB-CG1 3.93Å; D694-I705 PolarHBondContact N-O 3.26Å; D694-I705 WeakPolarHBondContact O-CB 3.42Å; D694-I705 PolarHBondContact O-N 3.1Å; V696-I705 HydrophobicContact CG2-CD1 4.4Å; V696-I705 HydrophobicContact CG2-CG1 4.15Å; N703-I705 HydrophobicContact CB-CD1 4.39Å
706	F	95.9	Very high	94.2	Very high	16 Å²	16	44.1 Å²	44.1	7%	0.07	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	165.6	176	-67.6	-87.2	0	0	0	112	V657 A658 K660 L681 V690 I691 L692 F704	V657-F706 CarbonylContact C-O 3.25Å; V657-F706 VanDerWaalsContact CA-O 3.31Å; V657-F706 WeakPolarHBondContact CA-O 3.2Å; V657-F706 VanDerWaalsContact CB-O 3.29Å; V657-F706 WeakPolarHBondContact CB-O 3.42Å; A658-F706 HydrophobicContact CB-CB 4.22Å; A658-F706 PolarHBondContact N-O 2.87Å; A658-F706 PolarHBondContact O-N 3.43Å; K660-F706 HydrophobicContact CB-CD2 4.29Å; K660-F706 HydrophobicContact CB-CE2 4Å; K660-F706 HydrophobicContact CD-CE2 3.99Å; L681-F706 HydrophobicContact CD1-CE1 3.51Å; L681-F706 HydrophobicContact CD1-CZ 3.55Å; L681-F706 HydrophobicContact CD2-CE1 4.23Å; L681-F706 HydrophobicContact CG-CE1 4.49Å; V690-F706 HydrophobicContact CB-CD1 4.48Å; V690-F706 HydrophobicContact CG1-CD1 3.81Å; V690-F706 HydrophobicContact CG1-CE1 3.85Å; V690-F706 HydrophobicContact CG2-CB 4.22Å; V690-F706 HydrophobicContact CG2-CD1 3.96Å; V690-F706 HydrophobicContact CG2-CG 4.45Å; I691-F706 WeakPolarHBondContact O-CA 3.27Å; L692-F706 HydrophobicContact CB-CD1 4.26Å; L692-F706 HydrophobicContact CB-CE1 4.19Å; L692-F706 HydrophobicContact CD1-CD1 4.26Å; L692-F706 HydrophobicContact CD1-CD2 4.48Å; L692-F706 HydrophobicContact CD1-CE1 4.19Å; L692-F706 HydrophobicContact CD1-CE2 4.39Å; L692-F706 HydrophobicContact CD1-CG 4.43Å; L692-F706 HydrophobicContact CD1-CZ 4.25Å; F704-F706 HydrophobicContact CB-CD2 3.96Å; F704-F706 HydrophobicContact CB-CE2 3.43Å; F704-F706 VanDerWaalsContact CB-CE2 3.43Å; F704-F706 HydrophobicContact CB-CZ 4.17Å; F704-F706 HydrophobicContact CD1-CE2 4.32Å; F704-F706 HydrophobicContact CD1-CZ 4.25Å; F704-F706 HydrophobicContact CG-CE2 4.24Å
707	E	95.7	Very high	94.4	Very high	29 Å²	29	44.4 Å²	44.4	14%	0.136	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	148.8	159.5	62.3	-179.7	136.8	0	0	111.6	V690 I691 H693 V709 K767	V690-E707 HydrophobicContact CG2-CG 3.67Å; I691-E707 HydrophobicContact CB-CG 4.45Å; I691-E707 WeakPolarHBondContact CG1-OE1 3.27Å; I691-E707 PolarHBondContact N-OE1 2.74Å; I691-E707 PolarHBondContact O-N 3.16Å; H693-E707 WeakPolarHBondContact NE2-CA 3.15Å; H693-E707 PolarHBondContact NE2-N 2.96Å; E707-V709 HydrophobicContact CG-CG2 4.18Å; E707-K767 WeakPolarHBondContact OE1-CD 3.27Å; E707-K767 IonicContact OE1-NZ 3.28Å; E707-K767 PolarHBondContact OE1-NZ 3.06Å; E707-K767 IonicContact OE2-NZ 3.42Å; E707-K767 PolarHBondContact OE2-NZ 2.96Å
708	F	97.1	Very high	94.6	Very high	37 Å²	37	45.1 Å²	45.1	16%	0.162	21%	0.213	C	C	.	.			trans	-92.4	113.5	173.2	177.5	-111.3	0	0	0	111	L637 R647 A656 Q710	L637-F708 HydrophobicContact CD1-CD2 3.9Å; L637-F708 HydrophobicContact CD1-CE2 3.69Å; L637-F708 HydrophobicContact CD2-CE2 3.84Å; L637-F708 HydrophobicContact CG-CE2 4.42Å; R647-F708 HydrophobicContact CG-CD2 3.99Å; R647-F708 HydrophobicContact CG-CE2 3.87Å; R647-F708 HydrophobicContact CG-CG 4.47Å; R647-F708 HydrophobicContact CG-CZ 4.22Å; A656-F708 HydrophobicContact CB-CB 3.82Å; A656-F708 HydrophobicContact CB-CD1 3.79Å; A656-F708 HydrophobicContact CB-CG 4.02Å; F708-Q710 HydrophobicContact CE1-CG 4.02Å
709	V	96.9	Very high	95	Very high	14 Å²	14	48.8 Å²	48.8	9%	0.085	23%	0.232	C	C	.	.			trans	-103.9	140.2	170.7	-172.8	0	0	0	0	108.8	E707 L759 I760 K767	E707-V709 HydrophobicContact CG-CG2 4.18Å; V709-L759 HydrophobicContact CB-CB 3.83Å; V709-L759 HydrophobicContact CB-CD1 4.14Å; V709-L759 HydrophobicContact CG1-CB 3.68Å; V709-L759 HydrophobicContact CG2-CB 4.22Å; V709-L759 HydrophobicContact CG2-CD1 4.2Å; V709-I760 WeakPolarHBondContact CG1-O 3.29Å; V709-K767 HydrophobicContact CG2-CD 4.36Å
710	Q	94.2	Very high	95.4	Very high	86 Å²	86	41.1 Å²	41.1	40%	0.402	20%	0.199	S	C	.	.	S	Bend	trans	-80	-29.1	-160.9	-62	88	-13.7	0	0	114.9	F708 S761 I762	F708-Q710 HydrophobicContact CE1-CG 4.02Å; Q710-S761 VanDerWaalsContact OE1-CA 3.24Å; Q710-I762 HydrophobicContact CB-CG1 4.22Å; Q710-I762 HydrophobicContact CG-CD1 3.86Å; Q710-I762 HydrophobicContact CG-CG1 3.86Å
711	S	95.7	Very high	95.7	Very high	32 Å²	32	37.7 Å²	37.7	22%	0.224	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	171.8	178.3	-167.1	0	0	0	0	111.1	L759 I760	S711-L759 CarbonylContact O-C 3.57Å; S711-L759 WeakPolarHBondContact O-CA 3.12Å; S711-I760 PolarHBondContact N-O 2.84Å; S711-I760 VanDerWaalsContact N-O 3.13Å; S711-I760 PolarHBondContact O-N 2.92Å
712	D	97	Very high	95.8	Very high	20 Å²	20	46.7 Å²	46.7	11%	0.107	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	169.4	157.8	53.7	67.9	0	0	0	110.4	S714 K715 Y716 L758 L759	D712-S714 VanDerWaalsContact C-N 3.31Å; D712-S714 WeakPolarHBondContact OD1-CB 3.27Å; D712-S714 PolarHBondContact OD1-N 2.94Å; D712-K715 PolarHBondContact OD1-N 2.85Å; D712-K715 IonicContact OD1-NZ 2.75Å; D712-K715 IonicContact OD2-NZ 3.45Å; D712-K715 PolarHBondContact OD2-NZ 3.25Å; D712-Y716 PolarHBondContact O-N 3.48Å; D712-Y716 VanDerWaalsContact O-N 3.11Å; D712-L758 CarbonylContact C-O 3.5Å; D712-L758 VanDerWaalsContact CA-O 3.28Å; D712-L758 WeakPolarHBondContact CA-O 3.23Å; D712-L759 HydrophobicContact CB-CD2 4.16Å
713	L	98	Very high	96	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.6	-28.1	179.7	-179.9	67.5	0	0	0	112	Y716 I717 I724 F732 P755 L758 I760 I817 M821	L713-Y716 PolarHBondContact O-N 2.93Å; L713-I717 HydrophobicContact CD1-CD1 4Å; L713-I717 HydrophobicContact CD1-CG1 3.95Å; L713-I717 HydrophobicContact CD2-CD1 4.21Å; L713-I717 HydrophobicContact CG-CD1 3.77Å; L713-I717 HydrophobicContact CG-CG1 4.11Å; L713-I717 WeakPolarHBondContact O-CB 3.39Å; L713-I717 VanDerWaalsContact O-CG1 3.3Å; L713-I717 WeakPolarHBondContact O-CG1 3.39Å; L713-I717 PolarHBondContact O-N 3.01Å; L713-I724 HydrophobicContact CD1-CD1 3.78Å; L713-F732 HydrophobicContact CD1-CD2 4.48Å; L713-P755 HydrophobicContact CB-CB 4.1Å; L713-P755 WeakPolarHBondContact CB-O 3.38Å; L713-P755 HydrophobicContact CD2-CB 4.24Å; L713-P755 HydrophobicContact CG-CB 4.14Å; L713-P755 PolarHBondContact N-O 3.1Å; L713-P755 VanDerWaalsContact N-O 3.16Å; L713-L758 HydrophobicContact CB-CB 4Å; L713-L758 HydrophobicContact CD2-CB 4.4Å; L713-L758 HydrophobicContact CD2-CD1 3.81Å; L713-L758 PolarHBondContact N-O 2.97Å; L713-I760 HydrophobicContact CB-CD1 3.87Å; L713-I760 HydrophobicContact CB-CG1 4.49Å; L713-I760 HydrophobicContact CD1-CD1 3.62Å; L713-I760 HydrophobicContact CG-CD1 4.34Å; L713-I817 HydrophobicContact CD2-CG2 3.6Å; L713-M821 HydrophobicContact CD1-CG 3.97Å; L713-M821 HydrophobicContact CD1-SD 3.89Å; L713-M821 HydrophobicContact CD2-CG 3.95Å; L713-M821 HydrophobicContact CD2-SD 3.91Å; L713-M821 HydrophobicContact CG-CG 4.44Å
714	S	96.9	Very high	96.2	Very high	17 Å²	17	46.2 Å²	46.2	12%	0.119	23%	0.225	C	C	.	.	H	α-helix	trans	-58.2	-56.1	173.9	-165.3	0	0	0	0	110.1	D712 Y716 I717 E718 P755 Q756	D712-S714 VanDerWaalsContact C-N 3.31Å; D712-S714 WeakPolarHBondContact OD1-CB 3.27Å; D712-S714 PolarHBondContact OD1-N 2.94Å; S714-Y716 PolarHBondContact O-N 3.33Å; S714-I717 PolarHBondContact O-N 3.29Å; S714-I717 VanDerWaalsContact O-N 3.1Å; S714-E718 WeakPolarHBondContact CB-OE1 3.18Å; S714-E718 WeakPolarHBondContact O-CB 3.45Å; S714-E718 WeakPolarHBondContact O-CG 3.47Å; S714-E718 PolarHBondContact O-N 3.41Å; S714-E718 PolarHBondContact OG-OE1 2.74Å; S714-P755 PolarHBondContact N-O 3.49Å; S714-Q756 VanDerWaalsContact CB-NE2 3.35Å; S714-Q756 PolarHBondContact OG-NE2 2.89Å
715	K	96.5	Very high	96.3	Very high	90 Å²	90	49.5 Å²	49.5	39%	0.391	24%	0.24	S	C	.	.	H	α-helix	trans	-60	-34.4	175.6	-69.3	176.7	-171.4	64.2	0	112.3	D712 E718 N719	D712-K715 PolarHBondContact OD1-N 2.85Å; D712-K715 IonicContact OD1-NZ 2.75Å; D712-K715 IonicContact OD2-NZ 3.45Å; D712-K715 PolarHBondContact OD2-NZ 3.25Å; K715-E718 PolarHBondContact N-OE1 2.82Å; K715-N719 PolarHBondContact O-N 2.73Å; K715-N719 PolarHBondContact O-ND2 2.74Å
716	Y	97.4	Very high	96.4	Very high	31 Å²	31	51.2 Å²	51.2	12%	0.122	25%	0.249	C	C	.	.	H	α-helix	trans	-66.9	-42.1	176.4	-159.3	-73.2	0	0	0	111.5	D712 L713 S714 N719 H720 I724 F732 I760 E986	D712-Y716 PolarHBondContact O-N 3.48Å; D712-Y716 VanDerWaalsContact O-N 3.11Å; L713-Y716 PolarHBondContact O-N 2.93Å; S714-Y716 PolarHBondContact O-N 3.33Å; Y716-N719 PolarHBondContact O-N 2.86Å; Y716-H720 AromaticContact CD1-CE1 3.97Å; Y716-H720 AromaticContact CD1-ND1 3.52Å; Y716-H720 AromaticContact CE1-CE1 3.66Å; Y716-H720 AromaticContact CE1-ND1 3.51Å; Y716-H720 PolarHBondContact O-N 2.73Å; Y716-H720 PolarHBondContact O-ND1 2.82Å; Y716-I724 HydrophobicContact CD1-CD1 3.53Å; Y716-I724 HydrophobicContact CD1-CG1 3.79Å; Y716-I724 HydrophobicContact CE1-CD1 3.92Å; Y716-I724 HydrophobicContact CE1-CG1 3.9Å; Y716-I724 HydrophobicContact CE1-CG2 4.1Å; Y716-F732 HydrophobicContact CD1-CE2 4.16Å; Y716-F732 HydrophobicContact CD2-CZ 4.45Å; Y716-F732 AromaticContact CE1-CE2 3.76Å; Y716-F732 HydrophobicContact CE1-CE2 3.76Å; Y716-F732 HydrophobicContact CE1-CZ 4.16Å; Y716-F732 HydrophobicContact CE2-CE2 4.35Å; Y716-F732 AromaticContact CE2-CZ 3.93Å; Y716-F732 HydrophobicContact CE2-CZ 3.93Å; Y716-F732 AromaticContact CZ-CE2 3.84Å; Y716-F732 AromaticContact CZ-CZ 3.76Å; Y716-I760 HydrophobicContact CD2-CD1 4.1Å; Y716-I760 HydrophobicContact CD2-CG2 4.17Å; Y716-I760 HydrophobicContact CE2-CG2 4.4Å; Y716-I760 HydrophobicContact CG-CD1 4.1Å; Y716-E986 HydrophobicContact CE1-CG 4.24Å; Y716-E986 WeakPolarHBondContact OH-CG 3.22Å
717	I	97.8	Very high	96.4	Very high	9 Å²	9	53 Å²	53	5%	0.046	26%	0.257	C	S	.	.	H	α-helix	trans	-70.9	-39.4	177.5	-68.4	176.9	0	0	0	111.3	L713 S714 N719 H720 I724 E820 M821	L713-I717 HydrophobicContact CD1-CD1 4Å; L713-I717 HydrophobicContact CD1-CG1 3.95Å; L713-I717 HydrophobicContact CD2-CD1 4.21Å; L713-I717 HydrophobicContact CG-CD1 3.77Å; L713-I717 HydrophobicContact CG-CG1 4.11Å; L713-I717 WeakPolarHBondContact O-CB 3.39Å; L713-I717 VanDerWaalsContact O-CG1 3.3Å; L713-I717 WeakPolarHBondContact O-CG1 3.39Å; L713-I717 PolarHBondContact O-N 3.01Å; S714-I717 PolarHBondContact O-N 3.29Å; S714-I717 VanDerWaalsContact O-N 3.1Å; I717-N719 PolarHBondContact O-N 2.53Å; I717-H720 CarbonylContact O-C 3.56Å; I717-H720 WeakPolarHBondContact O-CA 3.46Å; I717-H720 PolarHBondContact O-N 2.85Å; I717-I724 HydrophobicContact CG1-CD1 3.72Å; I717-I724 HydrophobicContact CG1-CG1 4.31Å; I717-E820 HydrophobicContact CD1-CG 3.97Å; I717-M821 HydrophobicContact CD1-CG 3.89Å
718	E	96.3	Very high	96.5	Very high	121 Å²	121	51.6 Å²	51.6	57%	0.565	25%	0.25	S	S	*	.	H	α-helix	trans	-57	-35.7	174.5	-72	157.1	-137.3	0	0	112.4	S714 K715 H720	S714-E718 WeakPolarHBondContact CB-OE1 3.18Å; S714-E718 WeakPolarHBondContact O-CB 3.45Å; S714-E718 WeakPolarHBondContact O-CG 3.47Å; S714-E718 PolarHBondContact O-N 3.41Å; S714-E718 PolarHBondContact OG-OE1 2.74Å; K715-E718 PolarHBondContact N-OE1 2.82Å; E718-H720 VanDerWaalsContact C-N 3.3Å
719	N	96	Very high	96.6	Very high	113 Å²	113	49.8 Å²	49.8	60%	0.604	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-15	173.6	-75.9	-63.5	0	0	0	113.8	K715 Y716 I717 P721	K715-N719 PolarHBondContact O-N 2.73Å; K715-N719 PolarHBondContact O-ND2 2.74Å; Y716-N719 PolarHBondContact O-N 2.86Å; I717-N719 PolarHBondContact O-N 2.53Å; N719-P721 WeakPolarHBondContact O-CD 3.27Å
720	H	95.9	Very high	96.6	Very high	41 Å²	41	50 Å²	50	19%	0.19	24%	0.242	C	C	.	.			trans	-125.5	62.5	-179.2	-55.9	99.7	0	0	0	111.5	Y716 I717 E718 R722 G723 I724 E986	Y716-H720 AromaticContact CD1-CE1 3.97Å; Y716-H720 AromaticContact CD1-ND1 3.52Å; Y716-H720 AromaticContact CE1-CE1 3.66Å; Y716-H720 AromaticContact CE1-ND1 3.51Å; Y716-H720 PolarHBondContact O-N 2.73Å; Y716-H720 PolarHBondContact O-ND1 2.82Å; I717-H720 CarbonylContact O-C 3.56Å; I717-H720 WeakPolarHBondContact O-CA 3.46Å; I717-H720 PolarHBondContact O-N 2.85Å; E718-H720 VanDerWaalsContact C-N 3.3Å; H720-R722 PolarHBondContact O-N 2.76Å; H720-G723 CarbonylContact O-C 3.57Å; H720-G723 WeakPolarHBondContact O-CA 3.25Å; H720-G723 PolarHBondContact O-N 3.07Å; H720-I724 HydrophobicContact CB-CG1 4.31Å; H720-E986 VanDerWaalsContact NE2-CB 3.25Å; H720-E986 WeakPolarHBondContact NE2-CB 3.27Å; H720-E986 WeakPolarHBondContact NE2-CG 3.23Å
721	P	93.8	Very high	96.8	Very high	95 Å²	95	45.9 Å²	45.9	62%	0.617	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	19.3	-171.5	33.1	-39.7	0	0	0	114.9	N719	N719-P721 WeakPolarHBondContact O-CD 3.27Å
722	R	94.9	Very high	97	Very high	209 Å²	209	44.4 Å²	44.4	79%	0.789	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120	10.3	166.4	-62.2	-176.4	-178.9	171.9	1.5	111.7	H720 S823 R923	H720-R722 PolarHBondContact O-N 2.76Å; R722-S823 CarbonylContact C-O 3.12Å; R722-S823 VanDerWaalsContact C-O 3.25Å; R722-R923 VanDerWaalsContact O-CD 3.27Å; R722-R923 WeakPolarHBondContact O-CD 3.37Å; R722-R923 PolarHBondContact O-NH1 2.67Å
723	G	96.4	Very high	97	Very high	9 Å²	9	43.4 Å²	43.4	9%	0.093	21%	0.207	C	C	.	.			trans	88.3	150.5	-168.2	0	0	0	0	0	113.2	H720 M821 S823 R923	H720-G723 CarbonylContact O-C 3.57Å; H720-G723 WeakPolarHBondContact O-CA 3.25Å; H720-G723 PolarHBondContact O-N 3.07Å; G723-M821 WeakPolarHBondContact CA-O 3.37Å; G723-S823 PolarHBondContact N-O 3.08Å; G723-R923 PolarHBondContact O-NH1 2.84Å
724	I	97.7	Very high	97.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.208	C	C	.	.			trans	-64	157	176.9	-66.7	174.7	0	0	0	110.6	L713 Y716 I717 H720 L726 N728 V729 F732 M821 R923 E986	L713-I724 HydrophobicContact CD1-CD1 3.78Å; Y716-I724 HydrophobicContact CD1-CD1 3.53Å; Y716-I724 HydrophobicContact CD1-CG1 3.79Å; Y716-I724 HydrophobicContact CE1-CD1 3.92Å; Y716-I724 HydrophobicContact CE1-CG1 3.9Å; Y716-I724 HydrophobicContact CE1-CG2 4.1Å; I717-I724 HydrophobicContact CG1-CD1 3.72Å; I717-I724 HydrophobicContact CG1-CG1 4.31Å; H720-I724 HydrophobicContact CB-CG1 4.31Å; I724-L726 PolarHBondContact O-N 3.32Å; I724-N728 HydrophobicContact CG2-CB 3.66Å; I724-V729 HydrophobicContact CB-CG2 3.74Å; I724-V729 HydrophobicContact CG2-CG2 3.74Å; I724-F732 HydrophobicContact CD1-CD2 4.14Å; I724-F732 HydrophobicContact CD1-CE2 4.13Å; I724-F732 HydrophobicContact CG2-CD2 4.24Å; I724-F732 HydrophobicContact CG2-CE2 4.01Å; I724-M821 HydrophobicContact CD1-CB 4.27Å; I724-M821 HydrophobicContact CD1-CG 4.02Å; I724-M821 HydrophobicContact CD1-SD 4.46Å; I724-M821 PolarHBondContact N-O 2.84Å; I724-R923 PolarHBondContact O-NH1 3.43Å; I724-R923 PolarHBondContact O-NH2 2.81Å; I724-E986 WeakPolarHBondContact CG2-OE1 3.45Å
725	K	97	Very high	97.2	Very high	70 Å²	70	42.8 Å²	42.8	30%	0.304	20%	0.202	S	C	.	.			trans	-59.7	134.5	172.1	-89.8	175.1	-179.4	-174.2	0	111.2	H727 N728 V729 V984 P985 E986	K725-H727 PolarHBondContact O-N 3.47Å; K725-N728 WeakPolarHBondContact O-CA 3.36Å; K725-N728 WeakPolarHBondContact O-CB 3.32Å; K725-N728 PolarHBondContact O-N 3.42Å; K725-V729 PolarHBondContact O-N 2.69Å; K725-V984 HydrophobicContact CD-CG1 3.81Å; K725-P985 PolarHBondContact NZ-O 3.19Å; K725-E986 WeakPolarHBondContact CB-OE1 3.1Å; K725-E986 WeakPolarHBondContact CB-OE2 3.36Å; K725-E986 WeakPolarHBondContact CD-OE2 3.41Å; K725-E986 WeakPolarHBondContact CG-OE2 3.49Å; K725-E986 PolarHBondContact N-OE1 2.75Å; K725-E986 PolarHBondContact N-OE2 3.07Å
726	L	96.8	Very high	97.3	Very high	37 Å²	37	38.6 Å²	38.6	19%	0.194	18%	0.183	C	C	.	.	H	α-helix	trans	-55.9	-32	-172.3	-65.8	172.7	0	0	0	114.3	I724 V729 R730 I822 R926 A927	I724-L726 PolarHBondContact O-N 3.32Å; L726-V729 PolarHBondContact O-N 3.38Å; L726-R730 PolarHBondContact O-N 3.18Å; L726-R730 VanDerWaalsContact O-N 3.1Å; L726-I822 HydrophobicContact CD2-CG1 4.4Å; L726-R926 HydrophobicContact CD1-CB 4.39Å; L726-R926 WeakPolarHBondContact CD1-O 3.49Å; L726-A927 HydrophobicContact CD1-CB 4.04Å; L726-A927 HydrophobicContact CD2-CB 4.11Å
727	H	96.8	Very high	97.3	Very high	52 Å²	52	37.1 Å²	37.1	24%	0.241	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-47.6	171.7	-178.6	79.1	0	0	0	112.5	K725 V729 R730 L731 R982 V984	K725-H727 PolarHBondContact O-N 3.47Å; H727-V729 VanDerWaalsContact C-N 3.31Å; H727-V729 PolarHBondContact O-N 3.26Å; H727-R730 WeakPolarHBondContact O-CB 3.32Å; H727-R730 PolarHBondContact O-N 3.2Å; H727-R730 VanDerWaalsContact O-N 3.13Å; H727-L731 PolarHBondContact O-N 2.91Å; H727-R982 PolarHBondContact NE2-O 3.29Å; H727-V984 HydrophobicContact CB-CG2 4.31Å; H727-V984 WeakPolarHBondContact CD2-CG2 3.28Å
728	N	97.9	Very high	97.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.6	-34.9	177.7	-63	-13.6	0	0	0	111.1	I724 K725 R730 L731 F732 L983 V984 E986	I724-N728 HydrophobicContact CG2-CB 3.66Å; K725-N728 WeakPolarHBondContact O-CA 3.36Å; K725-N728 WeakPolarHBondContact O-CB 3.32Å; K725-N728 PolarHBondContact O-N 3.42Å; N728-R730 VanDerWaalsContact C-N 3.34Å; N728-R730 PolarHBondContact O-N 3.28Å; N728-L731 PolarHBondContact O-N 2.99Å; N728-F732 HydrophobicContact CB-CD2 4.48Å; N728-F732 HydrophobicContact CB-CE2 4.03Å; N728-F732 HydrophobicContact CB-CZ 4.48Å; N728-F732 WeakPolarHBondContact O-CB 3.49Å; N728-F732 WeakPolarHBondContact O-CD2 3.48Å; N728-F732 VanDerWaalsContact O-CG 3.22Å; N728-F732 WeakPolarHBondContact O-CG 3.22Å; N728-F732 PolarHBondContact O-N 3.47Å; N728-L983 HydrophobicContact CB-CD1 3.91Å; N728-L983 VanDerWaalsContact CG-CD1 3.43Å; N728-L983 WeakPolarHBondContact OD1-CD1 3.42Å; N728-V984 PolarHBondContact ND2-O 2.83Å; N728-V984 PolarHBondContact OD1-N 3.08Å; N728-V984 PolarHBondContact OD1-O 3.01Å; N728-E986 PolarHBondContact ND2-OE1 3.04Å
729	V	98.2	Very high	97.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58	-44.1	170	-178.5	0	0	0	0	111.5	I724 K725 L726 H727 F732 L733 F818 M821 I822	I724-V729 HydrophobicContact CB-CG2 3.74Å; I724-V729 HydrophobicContact CG2-CG2 3.74Å; K725-V729 PolarHBondContact O-N 2.69Å; L726-V729 PolarHBondContact O-N 3.38Å; H727-V729 VanDerWaalsContact C-N 3.31Å; H727-V729 PolarHBondContact O-N 3.26Å; V729-F732 PolarHBondContact O-N 3.4Å; V729-L733 VanDerWaalsContact O-CB 3.27Å; V729-L733 WeakPolarHBondContact O-CB 3.25Å; V729-L733 PolarHBondContact O-N 2.89Å; V729-F818 HydrophobicContact CG1-CD2 3.8Å; V729-F818 HydrophobicContact CG1-CE2 3.73Å; V729-M821 HydrophobicContact CG1-CB 4.05Å; V729-M821 HydrophobicContact CG1-CE 4.21Å; V729-M821 HydrophobicContact CG2-CB 4.14Å; V729-I822 HydrophobicContact CG1-CD1 4.41Å; V729-I822 HydrophobicContact CG1-CG1 3.85Å; V729-I822 HydrophobicContact CG2-CG1 4.4Å
730	R	98	Very high	97.6	Very high	18 Å²	18	26.2 Å²	26.2	7%	0.068	12%	0.122	C	C	.	.	H	α-helix	trans	-60.4	-46.3	174.8	-72.2	174.4	179.9	126.8	-0.2	111.6	L726 H727 N728 L733 Y734 Y956 F957 H960 L961	L726-R730 PolarHBondContact O-N 3.18Å; L726-R730 VanDerWaalsContact O-N 3.1Å; H727-R730 WeakPolarHBondContact O-CB 3.32Å; H727-R730 PolarHBondContact O-N 3.2Å; H727-R730 VanDerWaalsContact O-N 3.13Å; N728-R730 VanDerWaalsContact C-N 3.34Å; N728-R730 PolarHBondContact O-N 3.28Å; R730-L733 PolarHBondContact O-N 2.89Å; R730-Y734 VanDerWaalsContact O-CB 3.29Å; R730-Y734 WeakPolarHBondContact O-CB 3.43Å; R730-Y734 PolarHBondContact O-N 2.96Å; R730-Y956 HydrophobicContact CB-CE1 4.44Å; R730-Y956 HydrophobicContact CG-CD1 4.3Å; R730-Y956 HydrophobicContact CG-CE1 3.54Å; R730-Y956 HydrophobicContact CG-CE2 4.15Å; R730-Y956 VanDerWaalsContact CG-CZ 3.44Å; R730-Y956 WeakPolarHBondContact CG-OH 3.45Å; R730-Y956 PolarHBondContact NE-O 2.91Å; R730-Y956 VanDerWaalsContact NE-O 3.15Å; R730-F957 HydrophobicContact CB-CD1 4.38Å; R730-F957 HydrophobicContact CB-CE1 4.49Å; R730-H960 VanDerWaalsContact CZ-NE2 3.33Å; R730-H960 PolarHBondContact NE-CD2 3.4Å; R730-H960 VanDerWaalsContact NE-CD2 3.31Å; R730-H960 PolarHBondContact NH1-CD2 3.05Å; R730-H960 VanDerWaalsContact NH1-CD2 3.34Å; R730-H960 PolarHBondContact NH1-NE2 3.32Å; R730-H960 PolarHBondContact NH2-CD2 3.18Å; R730-H960 PolarHBondContact NH2-NE2 3.28Å; R730-L961 HydrophobicContact CB-CD1 4.4Å
731	L	98.2	Very high	97.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.9	-43	177.8	-65.7	175	0	0	0	112.5	H727 N728 Q735 L961 I975 F976 I981 R982 L983	H727-L731 PolarHBondContact O-N 2.91Å; N728-L731 PolarHBondContact O-N 2.99Å; L731-Q735 WeakPolarHBondContact O-CB 3.22Å; L731-Q735 WeakPolarHBondContact O-CG 3.42Å; L731-Q735 PolarHBondContact O-N 3.21Å; L731-Q735 PolarHBondContact O-NE2 3.43Å; L731-L961 HydrophobicContact CD2-CD2 3.64Å; L731-I975 HydrophobicContact CD2-CD1 3.88Å; L731-F976 HydrophobicContact CD1-CE1 4.13Å; L731-F976 HydrophobicContact CD1-CZ 4.36Å; L731-I981 HydrophobicContact CD2-CG2 3.73Å; L731-R982 WeakPolarHBondContact CD1-O 3.37Å; L731-L983 HydrophobicContact CD1-CD1 4.35Å
732	F	98.8	Very high	97.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-70.7	-42.4	178.8	-63.8	-33.2	0	0	0	112	L713 Y716 I724 N728 V729 Q735 L736 I760 L766 M821 L983	L713-F732 HydrophobicContact CD1-CD2 4.48Å; Y716-F732 HydrophobicContact CD1-CE2 4.16Å; Y716-F732 HydrophobicContact CD2-CZ 4.45Å; Y716-F732 AromaticContact CE1-CE2 3.76Å; Y716-F732 HydrophobicContact CE1-CE2 3.76Å; Y716-F732 HydrophobicContact CE1-CZ 4.16Å; Y716-F732 HydrophobicContact CE2-CE2 4.35Å; Y716-F732 AromaticContact CE2-CZ 3.93Å; Y716-F732 HydrophobicContact CE2-CZ 3.93Å; Y716-F732 AromaticContact CZ-CE2 3.84Å; Y716-F732 AromaticContact CZ-CZ 3.76Å; I724-F732 HydrophobicContact CD1-CD2 4.14Å; I724-F732 HydrophobicContact CD1-CE2 4.13Å; I724-F732 HydrophobicContact CG2-CD2 4.24Å; I724-F732 HydrophobicContact CG2-CE2 4.01Å; N728-F732 HydrophobicContact CB-CD2 4.48Å; N728-F732 HydrophobicContact CB-CE2 4.03Å; N728-F732 HydrophobicContact CB-CZ 4.48Å; N728-F732 WeakPolarHBondContact O-CB 3.49Å; N728-F732 WeakPolarHBondContact O-CD2 3.48Å; N728-F732 VanDerWaalsContact O-CG 3.22Å; N728-F732 WeakPolarHBondContact O-CG 3.22Å; N728-F732 PolarHBondContact O-N 3.47Å; V729-F732 PolarHBondContact O-N 3.4Å; F732-Q735 PolarHBondContact O-N 3.5Å; F732-L736 WeakPolarHBondContact O-CB 3.33Å; F732-L736 PolarHBondContact O-N 2.74Å; F732-I760 HydrophobicContact CD1-CD1 4.37Å; F732-I760 HydrophobicContact CE1-CD1 4.1Å; F732-I760 HydrophobicContact CE1-CG2 4.02Å; F732-I760 HydrophobicContact CE2-CD1 4.31Å; F732-I760 HydrophobicContact CZ-CD1 4.07Å; F732-I760 HydrophobicContact CZ-CG2 4.24Å; F732-L766 HydrophobicContact CB-CD1 3.75Å; F732-L766 HydrophobicContact CD1-CB 4.22Å; F732-L766 HydrophobicContact CD1-CD1 4.21Å; F732-L766 HydrophobicContact CG-CD1 4.19Å; F732-M821 HydrophobicContact CB-CE 4.34Å; F732-M821 HydrophobicContact CB-SD 3.68Å; F732-M821 HydrophobicContact CD2-SD 4.17Å; F732-M821 HydrophobicContact CG-SD 4.41Å; F732-L983 HydrophobicContact CE1-CD1 4Å; F732-L983 HydrophobicContact CZ-CD1 3.74Å
733	L	98.8	Very high	97.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-64.9	-44.3	176.6	-175.2	66.4	0	0	0	111.8	V729 R730 Q735 L736 L737 V814 F818 M821 L933 F937 Y956 F957	V729-L733 VanDerWaalsContact O-CB 3.27Å; V729-L733 WeakPolarHBondContact O-CB 3.25Å; V729-L733 PolarHBondContact O-N 2.89Å; R730-L733 PolarHBondContact O-N 2.89Å; L733-Q735 VanDerWaalsContact C-N 3.33Å; L733-Q735 PolarHBondContact O-N 3.35Å; L733-L736 PolarHBondContact O-N 3.28Å; L733-L737 HydrophobicContact CD1-CD1 4.42Å; L733-L737 HydrophobicContact CD1-CG 4.32Å; L733-L737 HydrophobicContact CD2-CD1 4.48Å; L733-L737 HydrophobicContact CG-CD1 3.98Å; L733-L737 HydrophobicContact CG-CG 4.31Å; L733-L737 WeakPolarHBondContact O-CB 3.27Å; L733-L737 VanDerWaalsContact O-CG 3.27Å; L733-L737 WeakPolarHBondContact O-CG 3.42Å; L733-L737 PolarHBondContact O-N 3.17Å; L733-V814 HydrophobicContact CD1-CG1 3.55Å; L733-F818 HydrophobicContact CD1-CB 4.02Å; L733-F818 HydrophobicContact CD1-CD2 4.35Å; L733-F818 HydrophobicContact CD1-CG 4.22Å; L733-F818 HydrophobicContact CD2-CD1 4.18Å; L733-F818 HydrophobicContact CD2-CD2 3.67Å; L733-F818 HydrophobicContact CD2-CE1 4.23Å; L733-F818 HydrophobicContact CD2-CE2 3.7Å; L733-F818 HydrophobicContact CD2-CG 3.9Å; L733-F818 HydrophobicContact CD2-CZ 3.99Å; L733-F818 HydrophobicContact CG-CD2 4.4Å; L733-M821 HydrophobicContact CB-CE 4.25Å; L733-L933 HydrophobicContact CD2-CD2 3.85Å; L733-F937 HydrophobicContact CD1-CE2 4.18Å; L733-F937 HydrophobicContact CD1-CZ 4.4Å; L733-F937 HydrophobicContact CD2-CE2 4.17Å; L733-F937 HydrophobicContact CD2-CZ 4.48Å; L733-Y956 HydrophobicContact CD2-CD1 4.18Å; L733-Y956 HydrophobicContact CD2-CE1 3.89Å; L733-F957 HydrophobicContact CB-CE1 4.33Å; L733-F957 HydrophobicContact CB-CZ 4.28Å; L733-F957 HydrophobicContact CD2-CE1 4.22Å; L733-F957 HydrophobicContact CD2-CZ 3.64Å; L733-F957 HydrophobicContact CG-CE1 4.41Å; L733-F957 HydrophobicContact CG-CZ 3.87Å
734	Y	98.7	Very high	97.9	Very high	4 Å²	4	11.4 Å²	11.4	2%	0.016	5%	0.052	C	C	.	.	H	α-helix	trans	-60.6	-44.1	178.7	-167.6	-87	0	0	0	111.2	R730 L737 R738 M952 F957 L961 L966 I975	R730-Y734 VanDerWaalsContact O-CB 3.29Å; R730-Y734 WeakPolarHBondContact O-CB 3.43Å; R730-Y734 PolarHBondContact O-N 2.96Å; Y734-L737 PolarHBondContact O-N 3.44Å; Y734-R738 WeakPolarHBondContact O-CB 3.34Å; Y734-R738 PolarHBondContact O-N 3.06Å; Y734-M952 HydrophobicContact CD2-CB 4.5Å; Y734-M952 HydrophobicContact CE1-SD 4.32Å; Y734-M952 HydrophobicContact CE2-CB 3.87Å; Y734-M952 HydrophobicContact CE2-CG 4.19Å; Y734-M952 HydrophobicContact CE2-SD 4.35Å; Y734-F957 HydrophobicContact CD2-CD1 4.01Å; Y734-F957 HydrophobicContact CD2-CD2 4.32Å; Y734-F957 HydrophobicContact CD2-CE1 4.15Å; Y734-F957 HydrophobicContact CD2-CE2 4.46Å; Y734-F957 HydrophobicContact CD2-CG 4.09Å; Y734-F957 HydrophobicContact CD2-CZ 4.37Å; Y734-L961 HydrophobicContact CD2-CD1 4.33Å; Y734-L961 HydrophobicContact CG-CD1 4.33Å; Y734-L966 HydrophobicContact CD1-CD2 4.35Å; Y734-L966 HydrophobicContact CE1-CB 4.08Å; Y734-L966 HydrophobicContact CE1-CD1 4.21Å; Y734-L966 HydrophobicContact CE1-CD2 3.88Å; Y734-L966 HydrophobicContact CE1-CG 4.31Å; Y734-L966 HydrophobicContact CE2-CD1 4.5Å; Y734-I975 HydrophobicContact CD1-CG2 4.47Å
735	Q	98.7	Very high	97.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.7	-40.6	176.5	-73.6	-180	94.5	0	0	113.2	N688 L731 F732 L733 R738 G739 G764 E765 L766 I975	N688-Q735 WeakPolarHBondContact CB-O 3.46Å; N688-Q735 WeakPolarHBondContact ND2-CB 3.43Å; N688-Q735 WeakPolarHBondContact ND2-CG 3.46Å; N688-Q735 PolarHBondContact ND2-OE1 3.44Å; L731-Q735 WeakPolarHBondContact O-CB 3.22Å; L731-Q735 WeakPolarHBondContact O-CG 3.42Å; L731-Q735 PolarHBondContact O-N 3.21Å; L731-Q735 PolarHBondContact O-NE2 3.43Å; F732-Q735 PolarHBondContact O-N 3.5Å; L733-Q735 VanDerWaalsContact C-N 3.33Å; L733-Q735 PolarHBondContact O-N 3.35Å; Q735-R738 PolarHBondContact O-N 2.79Å; Q735-G739 PolarHBondContact O-N 3.48Å; Q735-G764 PolarHBondContact NE2-O 2.84Å; Q735-E765 VanDerWaalsContact OE1-CA 3.29Å; Q735-L766 HydrophobicContact CB-CB 3.96Å; Q735-I975 HydrophobicContact CG-CD1 3.58Å; Q735-I975 HydrophobicContact CG-CG1 3.99Å; Q735-I975 HydrophobicContact CG-CG2 4.47Å
736	L	98.9	Very high	97.6	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-61.2	-48.1	174.3	173.6	57.8	0	0	0	111.3	F732 L733 G739 L740 L753 L758 L766 L768 V814 I817	F732-L736 WeakPolarHBondContact O-CB 3.33Å; F732-L736 PolarHBondContact O-N 2.74Å; L733-L736 PolarHBondContact O-N 3.28Å; L736-G739 PolarHBondContact O-N 2.85Å; L736-L740 HydrophobicContact CD1-CD1 3.72Å; L736-L740 HydrophobicContact CD1-CG 4.25Å; L736-L740 HydrophobicContact CG-CD1 4.1Å; L736-L740 WeakPolarHBondContact O-CB 2.91Å; L736-L740 WeakPolarHBondContact O-CG 3.2Å; L736-L740 PolarHBondContact O-N 3.27Å; L736-L753 HydrophobicContact CD1-CD2 4.25Å; L736-L758 HydrophobicContact CD1-CD1 3.93Å; L736-L758 HydrophobicContact CD1-CD2 3.72Å; L736-L758 HydrophobicContact CD2-CD1 3.91Å; L736-L758 HydrophobicContact CG-CD1 4.48Å; L736-L766 HydrophobicContact CB-CD2 4.03Å; L736-L768 HydrophobicContact CD1-CD2 3.91Å; L736-V814 HydrophobicContact CD2-CB 4.48Å; L736-V814 HydrophobicContact CD2-CG1 4.09Å; L736-V814 HydrophobicContact CD2-CG2 4.16Å; L736-V814 HydrophobicContact CG-CG2 4.21Å; L736-I817 HydrophobicContact CD2-CG2 4.24Å
737	L	98.8	Very high	97.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.8	-42.2	177	-70.9	172.6	0	0	0	112.2	L733 Y734 L740 A741 V814 F937 A948 A951 M952 F957	L733-L737 HydrophobicContact CD1-CD1 4.42Å; L733-L737 HydrophobicContact CD1-CG 4.32Å; L733-L737 HydrophobicContact CD2-CD1 4.48Å; L733-L737 HydrophobicContact CG-CD1 3.98Å; L733-L737 HydrophobicContact CG-CG 4.31Å; L733-L737 WeakPolarHBondContact O-CB 3.27Å; L733-L737 VanDerWaalsContact O-CG 3.27Å; L733-L737 WeakPolarHBondContact O-CG 3.42Å; L733-L737 PolarHBondContact O-N 3.17Å; Y734-L737 PolarHBondContact O-N 3.44Å; L737-L740 PolarHBondContact O-N 2.84Å; L737-A741 WeakPolarHBondContact O-CB 3.09Å; L737-A741 PolarHBondContact O-N 3.43Å; L737-V814 HydrophobicContact CD2-CG1 3.95Å; L737-F937 HydrophobicContact CD1-CZ 4.22Å; L737-F937 HydrophobicContact CD2-CE1 3.98Å; L737-F937 HydrophobicContact CD2-CZ 3.91Å; L737-A948 HydrophobicContact CD2-CB 4.21Å; L737-A951 HydrophobicContact CD1-CB 3.81Å; L737-A951 HydrophobicContact CD2-CB 3.85Å; L737-A951 HydrophobicContact CG-CB 4.47Å; L737-M952 HydrophobicContact CB-CG 3.67Å; L737-M952 HydrophobicContact CB-SD 4.41Å; L737-M952 HydrophobicContact CD1-CG 4.33Å; L737-F957 HydrophobicContact CD1-CE2 3.81Å; L737-F957 HydrophobicContact CD1-CZ 3.71Å
738	R	98.5	Very high	97.1	Very high	15 Å²	15	17.5 Å²	17.5	6%	0.057	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-46.4	178.1	-163	-169.7	174.5	-135	5.3	111.6	N688 Y734 Q735 L740 A741 Y742 M952 L969 P970 L973	N688-R738 PolarHBondContact OD1-NH1 3.41Å; Y734-R738 WeakPolarHBondContact O-CB 3.34Å; Y734-R738 PolarHBondContact O-N 3.06Å; Q735-R738 PolarHBondContact O-N 2.79Å; R738-L740 PolarHBondContact O-N 3.46Å; R738-A741 PolarHBondContact O-N 2.86Å; R738-Y742 PolarHBondContact O-N 3.38Å; R738-Y742 VanDerWaalsContact O-N 3.1Å; R738-M952 VanDerWaalsContact CA-SD 3.53Å; R738-M952 HydrophobicContact CB-SD 3.71Å; R738-M952 HydrophobicContact CG-SD 4.05Å; R738-L969 PolarHBondContact NH2-O 2.84Å; R738-P970 VanDerWaalsContact NH2-C 3.29Å; R738-P970 PolarHBondContact NH2-O 3.09Å; R738-L973 PolarHBondContact NH1-O 3.26Å; R738-L973 PolarHBondContact NH2-O 3.24Å
739	G	98.3	Very high	96.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.5	-38.2	174.9	0	0	0	0	0	113.5	Q735 L736 C743 L768	Q735-G739 PolarHBondContact O-N 3.48Å; L736-G739 PolarHBondContact O-N 2.85Å; G739-C743 PolarHBondContact O-N 3.49Å; G739-C743 PolarHBondContact O-SG 3.04Å; G739-L768 VanDerWaalsContact C-CD1 3.42Å
740	L	98	Very high	96.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-74.6	-38.9	177.3	-75	169.9	0	0	0	113	L736 L737 R738 Y742 C743 H744 H750 L753 L768 D810 V814 A948	L736-L740 HydrophobicContact CD1-CD1 3.72Å; L736-L740 HydrophobicContact CD1-CG 4.25Å; L736-L740 HydrophobicContact CG-CD1 4.1Å; L736-L740 WeakPolarHBondContact O-CB 2.91Å; L736-L740 WeakPolarHBondContact O-CG 3.2Å; L736-L740 PolarHBondContact O-N 3.27Å; L737-L740 PolarHBondContact O-N 2.84Å; R738-L740 PolarHBondContact O-N 3.46Å; L740-Y742 PolarHBondContact O-N 3Å; L740-C743 WeakPolarHBondContact O-CB 3.28Å; L740-C743 PolarHBondContact O-N 3.09Å; L740-C743 VanDerWaalsContact O-N 3.17Å; L740-H744 WeakPolarHBondContact O-CB 3.33Å; L740-H744 PolarHBondContact O-N 2.87Å; L740-H750 HydrophobicContact CD2-CB 4.19Å; L740-L753 HydrophobicContact CD1-CD1 3.66Å; L740-L753 HydrophobicContact CD1-CD2 4.44Å; L740-L753 HydrophobicContact CD2-CD1 4.03Å; L740-L753 HydrophobicContact CD2-CD2 4.29Å; L740-L753 HydrophobicContact CG-CD1 4.48Å; L740-L768 HydrophobicContact CD2-CD1 4.11Å; L740-L768 HydrophobicContact CD2-CD2 4.24Å; L740-L768 HydrophobicContact CG-CD1 4.14Å; L740-L768 HydrophobicContact CG-CD2 4.35Å; L740-D810 HydrophobicContact CD2-CB 4.35Å; L740-V814 HydrophobicContact CD1-CG2 3.23Å; L740-A948 HydrophobicContact CB-CB 4.14Å
741	A	98	Very high	96.3	Very high	5 Å²	5	17.4 Å²	17.4	4%	0.041	8%	0.078	C	C	.	.	H	α-helix	trans	-56.2	-52.2	172.4	0	0	0	0	0	110.1	L737 R738 C743 H744 D745 A948 R949	L737-A741 WeakPolarHBondContact O-CB 3.09Å; L737-A741 PolarHBondContact O-N 3.43Å; R738-A741 PolarHBondContact O-N 2.86Å; A741-C743 PolarHBondContact O-N 3.02Å; A741-C743 VanDerWaalsContact O-N 3.12Å; A741-H744 PolarHBondContact O-N 3.16Å; A741-D745 WeakPolarHBondContact O-CB 3.4Å; A741-D745 PolarHBondContact O-N 2.81Å; A741-A948 HydrophobicContact CB-CB 4.14Å; A741-R949 HydrophobicContact CB-CB 4.23Å
742	Y	97.5	Very high	96	Very high	14 Å²	14	17.8 Å²	17.8	6%	0.055	8%	0.08	C	C	.	.	H	α-helix	trans	-50.4	-40.4	175.8	-178.8	-77.5	0	0	0	113.2	L684 R685 H686 I689 R738 L740 R746 D971	L684-Y742 HydrophobicContact CB-CE1 4.43Å; L684-Y742 HydrophobicContact CD2-CD1 3.98Å; L684-Y742 HydrophobicContact CD2-CE1 3.64Å; R685-Y742 PolarHBondContact N-OH 3.11Å; R685-Y742 VanDerWaalsContact O-CE2 3.28Å; R685-Y742 WeakPolarHBondContact O-CE2 3.3Å; R685-Y742 VanDerWaalsContact O-CZ 3.28Å; R685-Y742 PolarHBondContact O-OH 3.33Å; H686-Y742 HydrophobicContact CB-CD1 3.92Å; H686-Y742 HydrophobicContact CB-CD2 3.6Å; H686-Y742 HydrophobicContact CB-CE1 4.05Å; H686-Y742 HydrophobicContact CB-CE2 3.69Å; H686-Y742 HydrophobicContact CB-CG 3.72Å; H686-Y742 AromaticContact CD2-CD2 3.39Å; H686-Y742 WeakPolarHBondContact CD2-CD2 3.26Å; H686-Y742 AromaticContact CD2-CG 3.85Å; H686-Y742 AromaticContact CG-CD2 3.66Å; H686-Y742 AromaticContact CG-CG 3.78Å; I689-Y742 HydrophobicContact CD1-CD1 3.6Å; I689-Y742 HydrophobicContact CD1-CE1 4.05Å; I689-Y742 HydrophobicContact CD1-CG 4.39Å; R738-Y742 PolarHBondContact O-N 3.38Å; R738-Y742 VanDerWaalsContact O-N 3.1Å; L740-Y742 PolarHBondContact O-N 3Å; Y742-R746 VanDerWaalsContact CE2-NH1 3.28Å; Y742-R746 VanDerWaalsContact CG-NH1 3.28Å; Y742-R746 PolarHBondContact O-N 3.37Å; Y742-R746 PolarHBondContact O-NH1 3.08Å; Y742-D971 HydrophobicContact CD2-CB 4.04Å; Y742-D971 VanDerWaalsContact CD2-CG 3.4Å; Y742-D971 VanDerWaalsContact CD2-OD2 3.28Å; Y742-D971 WeakPolarHBondContact CD2-OD2 3.34Å; Y742-D971 HydrophobicContact CE2-CB 3.8Å; Y742-D971 VanDerWaalsContact CE2-CG 3.46Å; Y742-D971 WeakPolarHBondContact CE2-OD2 3.38Å
743	C	96.1	Very high	95.8	Very high	1 Å²	1	18 Å²	18	1%	0.007	8%	0.081	C	C	.	.	H	α-helix	trans	-71.9	-50.6	176.3	-65.4	0	0	0	0	112	I689 G739 L740 A741 D745 R746 H747 I748	I689-C743 VanDerWaalsContact CD1-SG 3.54Å; G739-C743 PolarHBondContact O-N 3.49Å; G739-C743 PolarHBondContact O-SG 3.04Å; L740-C743 WeakPolarHBondContact O-CB 3.28Å; L740-C743 PolarHBondContact O-N 3.09Å; L740-C743 VanDerWaalsContact O-N 3.17Å; A741-C743 PolarHBondContact O-N 3.02Å; A741-C743 VanDerWaalsContact O-N 3.12Å; C743-D745 VanDerWaalsContact C-N 3.35Å; C743-D745 PolarHBondContact O-N 3.26Å; C743-R746 CarbonylContact O-C 3.59Å; C743-R746 VanDerWaalsContact O-C 3.25Å; C743-R746 WeakPolarHBondContact O-CA 3.33Å; C743-R746 PolarHBondContact O-N 2.88Å; C743-R746 VanDerWaalsContact O-N 3.14Å; C743-H747 PolarHBondContact O-N 3.43Å; C743-H747 VanDerWaalsContact O-N 3.08Å; C743-I748 CarbonylContact C-O 3.42Å; C743-I748 HydrophobicContact CB-CB 4.31Å; C743-I748 HydrophobicContact CB-CG2 4.49Å; C743-I748 WeakPolarHBondContact CB-O 3.33Å; C743-I748 PolarHBondContact O-N 3.36Å
744	H	95.6	Very high	95.7	Very high	23 Å²	23	19.6 Å²	19.6	11%	0.106	9%	0.088	C	C	.	.	H	α-helix	trans	-63.5	-38.8	-176.9	-66.9	173	0	0	0	112.4	L740 A741 R746 H747 I748 A807 D810	L740-H744 WeakPolarHBondContact O-CB 3.33Å; L740-H744 PolarHBondContact O-N 2.87Å; A741-H744 PolarHBondContact O-N 3.16Å; H744-R746 VanDerWaalsContact C-N 3.32Å; H744-R746 PolarHBondContact O-N 3.23Å; H744-H747 WeakPolarHBondContact O-CA 3.34Å; H744-H747 PolarHBondContact O-N 3.49Å; H744-H747 PolarHBondContact O-ND1 3.14Å; H744-I748 PolarHBondContact CD2-O 2.82Å; H744-A807 HydrophobicContact CB-CB 4.34Å; H744-D810 IonicContact CD2-OD2 3.19Å; H744-D810 IonicContact CE1-OD2 3.38Å; H744-D810 IonicContact NE2-OD2 3.32Å; H744-D810 PolarHBondContact NE2-OD2 2.91Å
745	D	94.7	Very high	95.6	Very high	65 Å²	65	19.4 Å²	19.4	35%	0.348	9%	0.087	S	C	.	.	H	α-helix	trans	-60.3	-43.3	173.6	-63.5	-35.3	0	0	0	110.5	A741 C743 H747 R949	A741-D745 WeakPolarHBondContact O-CB 3.4Å; A741-D745 PolarHBondContact O-N 2.81Å; C743-D745 VanDerWaalsContact C-N 3.35Å; C743-D745 PolarHBondContact O-N 3.26Å; D745-H747 PolarHBondContact O-N 3.15Å; D745-H747 PolarHBondContact O-ND1 3.41Å; D745-R949 IonicContact OD1-CZ 2.75Å; D745-R949 IonicContact OD1-NE 2.78Å; D745-R949 PolarHBondContact OD1-NE 3.4Å; D745-R949 IonicContact OD1-NH2 3.66Å; D745-R949 PolarHBondContact OD1-NH2 3.06Å; D745-R949 IonicContact OD2-CZ 3.48Å; D745-R949 IonicContact OD2-NE 3.94Å; D745-R949 PolarHBondContact OD2-NE 2.89Å; D745-R949 IonicContact OD2-NH2 3.65Å; D745-R949 PolarHBondContact OD2-NH2 3.02Å
746	R	93.6	Very high	95.4	Very high	109 Å²	109	23.1 Å²	23.1	41%	0.411	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	16.8	172.7	-66.5	169	-175.5	79.3	-5.9	113.3	Y742 C743 H744 I748 D971	Y742-R746 VanDerWaalsContact CE2-NH1 3.28Å; Y742-R746 VanDerWaalsContact CG-NH1 3.28Å; Y742-R746 PolarHBondContact O-N 3.37Å; Y742-R746 PolarHBondContact O-NH1 3.08Å; C743-R746 CarbonylContact O-C 3.59Å; C743-R746 VanDerWaalsContact O-C 3.25Å; C743-R746 WeakPolarHBondContact O-CA 3.33Å; C743-R746 PolarHBondContact O-N 2.88Å; C743-R746 VanDerWaalsContact O-N 3.14Å; H744-R746 VanDerWaalsContact C-N 3.32Å; H744-R746 PolarHBondContact O-N 3.23Å; R746-I748 VanDerWaalsContact C-N 3.26Å; R746-I748 PolarHBondContact O-N 2.93Å; R746-D971 IonicContact CZ-OD2 2.71Å; R746-D971 IonicContact NH1-OD2 2.75Å; R746-D971 IonicContact NH2-OD2 2.69Å; R746-D971 PolarHBondContact NH2-OD2 2.92Å
747	H	91.7	Very high	95.3	Very high	99 Å²	99	23.7 Å²	23.7	46%	0.458	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	27.4	176.2	-61.2	-3.8	0	0	0	114.8	C743 H744 D745 A776 K777	C743-H747 PolarHBondContact O-N 3.43Å; C743-H747 VanDerWaalsContact O-N 3.08Å; H744-H747 WeakPolarHBondContact O-CA 3.34Å; H744-H747 PolarHBondContact O-N 3.49Å; H744-H747 PolarHBondContact O-ND1 3.14Å; D745-H747 PolarHBondContact O-N 3.15Å; D745-H747 PolarHBondContact O-ND1 3.41Å; H747-A776 CarbonylContact O-C 3.55Å; H747-A776 VanDerWaalsContact O-CA 3.26Å; H747-A776 WeakPolarHBondContact O-CA 3.36Å; H747-K777 HydrophobicContact CB-CB 4.2Å; H747-K777 WeakPolarHBondContact O-CB 3.34Å; H747-K777 PolarHBondContact O-N 2.68Å
748	I	91.7	Very high	95.3	Very high	13 Å²	13	23.7 Å²	23.7	7%	0.067	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.6	178.2	-67.7	161.7	0	0	0	109.8	L680 L684 C743 H744 R746 A774	L680-I748 HydrophobicContact CD2-CD1 3.84Å; L680-I748 HydrophobicContact CD2-CG1 3.97Å; L684-I748 HydrophobicContact CD1-CD1 4.47Å; L684-I748 HydrophobicContact CD2-CD1 3.72Å; L684-I748 HydrophobicContact CG-CD1 4.22Å; C743-I748 CarbonylContact C-O 3.42Å; C743-I748 HydrophobicContact CB-CB 4.31Å; C743-I748 HydrophobicContact CB-CG2 4.49Å; C743-I748 WeakPolarHBondContact CB-O 3.33Å; C743-I748 PolarHBondContact O-N 3.36Å; H744-I748 PolarHBondContact CD2-O 2.82Å; R746-I748 VanDerWaalsContact C-N 3.26Å; R746-I748 PolarHBondContact O-N 2.93Å; I748-A774 HydrophobicContact CG2-CB 4.29Å
749	L	92.4	Very high	95.2	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.016	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.9	172.4	-53.6	-178.5	0	0	0	109.8	R751 A774 R775 K777 A807	L749-R751 HydrophobicContact CB-CG 3.6Å; L749-A774 WeakPolarHBondContact O-CA 3.41Å; L749-A774 WeakPolarHBondContact O-CB 3.26Å; L749-R775 PolarHBondContact N-O 3.01Å; L749-R775 PolarHBondContact O-N 2.9Å; L749-K777 HydrophobicContact CG-CB 4.32Å; L749-A807 HydrophobicContact CD2-CB 4.33Å
750	H	92.7	Very high	95.2	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.115	C	C	.	.			trans	-76.9	-48.2	-179.6	-162.6	-89.1	0	0	0	111.6	L740 D752 L753 A769 F771 D810	L740-H750 HydrophobicContact CD2-CB 4.19Å; H750-D752 PolarHBondContact ND1-O 3.03Å; H750-D752 PolarHBondContact O-N 3.23Å; H750-D752 VanDerWaalsContact O-N 3.07Å; H750-L753 HydrophobicContact CB-CD2 4.42Å; H750-L753 HydrophobicContact CB-CG 4.21Å; H750-A769 PolarHBondContact CE1-O 2.78Å; H750-A769 PolarHBondContact NE2-O 2.68Å; H750-F771 AromaticContact CD2-CE1 3.9Å; H750-F771 AromaticContact CD2-CZ 3.84Å; H750-D810 PolarHBondContact N-OD1 3.28Å; H750-D810 PolarHBondContact N-OD2 3.32Å
751	R	92	Very high	95.2	Very high	13 Å²	13	25.5 Å²	25.5	5%	0.049	12%	0.119	C	C	.	.			trans	62.1	5.3	172.9	-43.1	-169.5	-52.3	136.8	14.7	117.5	L749 L773 V789 L809 D810	L749-R751 HydrophobicContact CB-CG 3.6Å; R751-L773 VanDerWaalsContact CZ-O 3.23Å; R751-L773 PolarHBondContact NE-O 2.92Å; R751-L773 PolarHBondContact NH2-O 2.84Å; R751-V789 WeakPolarHBondContact O-CA 3.19Å; R751-V789 WeakPolarHBondContact O-CG2 3.21Å; R751-V789 PolarHBondContact O-N 2.82Å; R751-L809 HydrophobicContact CB-CD2 4.4Å; R751-D810 PolarHBondContact N-OD1 3.31Å
752	D	92.3	Very high	95	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.043	15%	0.148	C	C	.	.			trans	-149.5	62.9	164.1	-165.2	38.6	0	0	0	111.2	H750 K754 N757 L773 T790	H750-D752 PolarHBondContact ND1-O 3.03Å; H750-D752 PolarHBondContact O-N 3.23Å; H750-D752 VanDerWaalsContact O-N 3.07Å; D752-K754 IonicContact OD2-NZ 3.53Å; D752-K754 PolarHBondContact OD2-NZ 2.92Å; D752-N757 PolarHBondContact O-ND2 3.33Å; D752-N757 PolarHBondContact OD2-ND2 2.82Å; D752-L773 HydrophobicContact CB-CB 4.4Å; D752-L773 HydrophobicContact CB-CD1 3.78Å; D752-T790 WeakPolarHBondContact OD1-CB 3.47Å; D752-T790 PolarHBondContact OD1-N 3.15Å; D752-T790 PolarHBondContact OD1-OG1 3.15Å
753	L	95.5	Very high	94.8	Very high	3 Å²	3	36 Å²	36	2%	0.016	17%	0.171	C	C	.	.			trans	-75.2	128.8	169.2	-75	172.2	0	0	0	110.2	L736 L740 H750 L758 L768 Y793 D810 V814 I817	L736-L753 HydrophobicContact CD1-CD2 4.25Å; L740-L753 HydrophobicContact CD1-CD1 3.66Å; L740-L753 HydrophobicContact CD1-CD2 4.44Å; L740-L753 HydrophobicContact CD2-CD1 4.03Å; L740-L753 HydrophobicContact CD2-CD2 4.29Å; L740-L753 HydrophobicContact CG-CD1 4.48Å; H750-L753 HydrophobicContact CB-CD2 4.42Å; H750-L753 HydrophobicContact CB-CG 4.21Å; L753-L758 HydrophobicContact CD2-CD2 4.18Å; L753-L768 HydrophobicContact CD2-CD2 3.59Å; L753-Y793 WeakPolarHBondContact O-CB 3.32Å; L753-D810 HydrophobicContact CD1-CB 3.73Å; L753-D810 VanDerWaalsContact CD1-O 3.27Å; L753-D810 WeakPolarHBondContact CD1-O 3.42Å; L753-V814 HydrophobicContact CD1-CG2 4.17Å; L753-I817 HydrophobicContact CB-CD1 4.13Å
754	K	95.6	Very high	94.9	Very high	35 Å²	35	36 Å²	36	15%	0.152	17%	0.17	C	C	.	.			trans	-163.6	156.5	176.3	63.4	-162.2	-172.2	-147.7	0	108.9	D752 Q756 N757 T790 Y793	D752-K754 IonicContact OD2-NZ 3.53Å; D752-K754 PolarHBondContact OD2-NZ 2.92Å; K754-Q756 HydrophobicContact CG-CB 4.34Å; K754-Q756 PolarHBondContact O-N 3.47Å; K754-N757 VanDerWaalsContact CE-CG 3.48Å; K754-N757 WeakPolarHBondContact CE-ND2 3.44Å; K754-N757 VanDerWaalsContact CE-OD1 3.23Å; K754-N757 WeakPolarHBondContact CE-OD1 3.38Å; K754-N757 HydrophobicContact CG-CB 4.03Å; K754-N757 PolarHBondContact O-N 3.11Å; K754-T790 HydrophobicContact CD-CG2 4.33Å; K754-T790 WeakPolarHBondContact CD-OG1 3.4Å; K754-Y793 HydrophobicContact CB-CD2 3.7Å; K754-Y793 HydrophobicContact CB-CE2 3.51Å; K754-Y793 HydrophobicContact CB-CG 4.43Å
755	P	97.5	Very high	95	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-55.9	-26.9	-178.8	-27.7	36.2	0	0	0	114.9	L713 S714 N757 L758 Y793 I817	L713-P755 HydrophobicContact CB-CB 4.1Å; L713-P755 WeakPolarHBondContact CB-O 3.38Å; L713-P755 HydrophobicContact CD2-CB 4.24Å; L713-P755 HydrophobicContact CG-CB 4.14Å; L713-P755 PolarHBondContact N-O 3.1Å; L713-P755 VanDerWaalsContact N-O 3.16Å; S714-P755 PolarHBondContact N-O 3.49Å; P755-N757 VanDerWaalsContact C-N 3.3Å; P755-N757 PolarHBondContact O-N 3.45Å; P755-L758 PolarHBondContact O-N 3.4Å; P755-Y793 WeakPolarHBondContact CD-OH 3.34Å; P755-Y793 HydrophobicContact CG-CE1 4.39Å; P755-I817 HydrophobicContact CG-CG1 4.4Å
756	Q	95.1	Very high	95.2	Very high	77 Å²	77	34 Å²	34	36%	0.36	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-73.5	-20.9	177.4	-56.4	74.7	26.3	0	0	113.1	S714 K754	S714-Q756 VanDerWaalsContact CB-NE2 3.35Å; S714-Q756 PolarHBondContact OG-NE2 2.89Å; K754-Q756 HydrophobicContact CG-CB 4.34Å; K754-Q756 PolarHBondContact O-N 3.47Å
757	N	96.1	Very high	95.4	Very high	14 Å²	14	29.4 Å²	29.4	8%	0.075	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-96.6	4.2	177.7	-74.2	3.2	0	0	0	112.6	D752 K754 P755 A769	D752-N757 PolarHBondContact O-ND2 3.33Å; D752-N757 PolarHBondContact OD2-ND2 2.82Å; K754-N757 VanDerWaalsContact CE-CG 3.48Å; K754-N757 WeakPolarHBondContact CE-ND2 3.44Å; K754-N757 VanDerWaalsContact CE-OD1 3.23Å; K754-N757 WeakPolarHBondContact CE-OD1 3.38Å; K754-N757 HydrophobicContact CG-CB 4.03Å; K754-N757 PolarHBondContact O-N 3.11Å; P755-N757 VanDerWaalsContact C-N 3.3Å; P755-N757 PolarHBondContact O-N 3.45Å; N757-A769 PolarHBondContact O-N 2.82Å
758	L	97.9	Very high	95.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	100.9	174.4	-58	-173.1	0	0	0	108.7	D712 L713 L736 L753 P755 L766 L768 I817	D712-L758 CarbonylContact C-O 3.5Å; D712-L758 VanDerWaalsContact CA-O 3.28Å; D712-L758 WeakPolarHBondContact CA-O 3.23Å; L713-L758 HydrophobicContact CB-CB 4Å; L713-L758 HydrophobicContact CD2-CB 4.4Å; L713-L758 HydrophobicContact CD2-CD1 3.81Å; L713-L758 PolarHBondContact N-O 2.97Å; L736-L758 HydrophobicContact CD1-CD1 3.93Å; L736-L758 HydrophobicContact CD1-CD2 3.72Å; L736-L758 HydrophobicContact CD2-CD1 3.91Å; L736-L758 HydrophobicContact CG-CD1 4.48Å; L753-L758 HydrophobicContact CD2-CD2 4.18Å; P755-L758 PolarHBondContact O-N 3.4Å; L758-L766 HydrophobicContact CB-CD1 4.33Å; L758-L766 HydrophobicContact CB-CD2 4.4Å; L758-L766 HydrophobicContact CB-CG 4.36Å; L758-L766 HydrophobicContact CD1-CD1 4.43Å; L758-L766 HydrophobicContact CD2-CD2 4.34Å; L758-L768 HydrophobicContact CD2-CD2 3.63Å; L758-I817 HydrophobicContact CD1-CD1 4.04Å; L758-I817 HydrophobicContact CD1-CG2 3.91Å
759	L	97.9	Very high	95.9	Very high	37 Å²	37	24.6 Å²	24.6	19%	0.194	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	143.4	-178.5	-53.9	-177.9	0	0	0	110.4	V690 V709 S711 D712 L766 K767 A769	V690-L759 HydrophobicContact CB-CD1 4.44Å; V690-L759 HydrophobicContact CG2-CD1 4.06Å; V709-L759 HydrophobicContact CB-CB 3.83Å; V709-L759 HydrophobicContact CB-CD1 4.14Å; V709-L759 HydrophobicContact CG1-CB 3.68Å; V709-L759 HydrophobicContact CG2-CB 4.22Å; V709-L759 HydrophobicContact CG2-CD1 4.2Å; S711-L759 CarbonylContact O-C 3.57Å; S711-L759 WeakPolarHBondContact O-CA 3.12Å; D712-L759 HydrophobicContact CB-CD2 4.16Å; L759-L766 CarbonylContact O-C 3.59Å; L759-L766 VanDerWaalsContact O-CA 3.27Å; L759-L766 WeakPolarHBondContact O-CA 3.4Å; L759-K767 PolarHBondContact N-O 2.6Å; L759-K767 PolarHBondContact O-N 3.05Å; L759-A769 HydrophobicContact CD1-CB 3.75Å; L759-A769 HydrophobicContact CG-CB 3.82Å
760	I	98.1	Very high	95.6	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.7	-178.5	-60.3	-178.6	0	0	0	110.5	V709 S711 L713 Y716 F732 E765 L766	V709-I760 WeakPolarHBondContact CG1-O 3.29Å; S711-I760 PolarHBondContact N-O 2.84Å; S711-I760 VanDerWaalsContact N-O 3.13Å; S711-I760 PolarHBondContact O-N 2.92Å; L713-I760 HydrophobicContact CB-CD1 3.87Å; L713-I760 HydrophobicContact CB-CG1 4.49Å; L713-I760 HydrophobicContact CD1-CD1 3.62Å; L713-I760 HydrophobicContact CG-CD1 4.34Å; Y716-I760 HydrophobicContact CD2-CD1 4.1Å; Y716-I760 HydrophobicContact CD2-CG2 4.17Å; Y716-I760 HydrophobicContact CE2-CG2 4.4Å; Y716-I760 HydrophobicContact CG-CD1 4.1Å; F732-I760 HydrophobicContact CD1-CD1 4.37Å; F732-I760 HydrophobicContact CE1-CD1 4.1Å; F732-I760 HydrophobicContact CE1-CG2 4.02Å; F732-I760 HydrophobicContact CE2-CD1 4.31Å; F732-I760 HydrophobicContact CZ-CD1 4.07Å; F732-I760 HydrophobicContact CZ-CG2 4.24Å; I760-E765 CarbonylContact C-O 3.39Å; I760-E765 VanDerWaalsContact CA-O 3.31Å; I760-E765 WeakPolarHBondContact CA-O 3.13Å; I760-L766 HydrophobicContact CD1-CD1 4.5Å; I760-L766 HydrophobicContact CG1-CD1 4.42Å; I760-L766 HydrophobicContact CG1-CG 4.45Å
761	S	96.7	Very high	95.2	Very high	11 Å²	11	27.1 Å²	27.1	8%	0.077	14%	0.135	C	C	.	.			trans	-81.1	165	176	82.7	0	0	0	0	112.9	Q710 Q763 G764 E765	Q710-S761 VanDerWaalsContact OE1-CA 3.24Å; S761-Q763 PolarHBondContact O-N 3.25Å; S761-Q763 PolarHBondContact OG-N 2.95Å; S761-Q763 PolarHBondContact OG-OE1 2.86Å; S761-G764 PolarHBondContact O-N 3.47Å; S761-E765 PolarHBondContact N-O 2.78Å; S761-E765 VanDerWaalsContact OG-CB 3.25Å; S761-E765 WeakPolarHBondContact OG-CB 3.36Å; S761-E765 WeakPolarHBondContact OG-CG 3.38Å; S761-E765 PolarHBondContact OG-N 3.42Å; S761-E765 VanDerWaalsContact OG-N 3.1Å; S761-E765 PolarHBondContact OG-OE2 2.94Å
762	I	93.7	Very high	94.2	Very high	126 Å²	126	27 Å²	27	65%	0.646	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.8	174.7	-69.9	170.9	0	0	0	111.6	Q710 G764	Q710-I762 HydrophobicContact CB-CG1 4.22Å; Q710-I762 HydrophobicContact CG-CD1 3.86Å; Q710-I762 HydrophobicContact CG-CG1 3.86Å; I762-G764 VanDerWaalsContact C-N 3.28Å; I762-G764 PolarHBondContact O-N 3.38Å
763	Q	94.8	Very high	93.3	Very high	114 Å²	114	30.2 Å²	30.2	53%	0.533	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-12	178.7	-68.2	74.4	8.8	0	0	113.3	S761 E765	S761-Q763 PolarHBondContact O-N 3.25Å; S761-Q763 PolarHBondContact OG-N 2.95Å; S761-Q763 PolarHBondContact OG-OE1 2.86Å; Q763-E765 HydrophobicContact CB-CG 4.33Å
764	G	97	Very high	92.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.			trans	92.5	13.3	-173.7	0	0	0	0	0	114.6	Q735 S761 I762 L766 F976	Q735-G764 PolarHBondContact NE2-O 2.84Å; S761-G764 PolarHBondContact O-N 3.47Å; I762-G764 VanDerWaalsContact C-N 3.28Å; I762-G764 PolarHBondContact O-N 3.38Å; G764-L766 PolarHBondContact O-N 3.02Å; G764-F976 WeakPolarHBondContact O-CE2 3.47Å; G764-F976 WeakPolarHBondContact O-CZ 3.24Å
765	E	98.3	Very high	91.3	Very high	46 Å²	46	31.4 Å²	31.4	22%	0.215	16%	0.158	C	C	.	.			trans	-73.3	120.8	175.8	-54.7	-179.1	127.3	0	0	110.4	Q735 I760 S761 Q763 S974 F976	Q735-E765 VanDerWaalsContact OE1-CA 3.29Å; I760-E765 CarbonylContact C-O 3.39Å; I760-E765 VanDerWaalsContact CA-O 3.31Å; I760-E765 WeakPolarHBondContact CA-O 3.13Å; S761-E765 PolarHBondContact N-O 2.78Å; S761-E765 VanDerWaalsContact OG-CB 3.25Å; S761-E765 WeakPolarHBondContact OG-CB 3.36Å; S761-E765 WeakPolarHBondContact OG-CG 3.38Å; S761-E765 PolarHBondContact OG-N 3.42Å; S761-E765 VanDerWaalsContact OG-N 3.1Å; S761-E765 PolarHBondContact OG-OE2 2.94Å; Q763-E765 HydrophobicContact CB-CG 4.33Å; E765-S974 WeakPolarHBondContact OE1-CB 3.07Å; E765-S974 PolarHBondContact OE1-OG 3.13Å; E765-F976 HydrophobicContact CG-CD2 3.9Å; E765-F976 HydrophobicContact CG-CE2 4.1Å
766	L	98.7	Very high	89.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.2	175.7	-174.7	151.4	0	0	0	110.3	N688 F732 Q735 L736 L758 L759 I760 G764	N688-L766 WeakPolarHBondContact CA-O 3.16Å; N688-L766 VanDerWaalsContact CB-O 3.31Å; N688-L766 WeakPolarHBondContact CB-O 3.48Å; N688-L766 PolarHBondContact ND2-O 3.1Å; F732-L766 HydrophobicContact CB-CD1 3.75Å; F732-L766 HydrophobicContact CD1-CB 4.22Å; F732-L766 HydrophobicContact CD1-CD1 4.21Å; F732-L766 HydrophobicContact CG-CD1 4.19Å; Q735-L766 HydrophobicContact CB-CB 3.96Å; L736-L766 HydrophobicContact CB-CD2 4.03Å; L758-L766 HydrophobicContact CB-CD1 4.33Å; L758-L766 HydrophobicContact CB-CD2 4.4Å; L758-L766 HydrophobicContact CB-CG 4.36Å; L758-L766 HydrophobicContact CD1-CD1 4.43Å; L758-L766 HydrophobicContact CD2-CD2 4.34Å; L759-L766 CarbonylContact O-C 3.59Å; L759-L766 VanDerWaalsContact O-CA 3.27Å; L759-L766 WeakPolarHBondContact O-CA 3.4Å; I760-L766 HydrophobicContact CD1-CD1 4.5Å; I760-L766 HydrophobicContact CG1-CD1 4.42Å; I760-L766 HydrophobicContact CG1-CG 4.45Å; G764-L766 PolarHBondContact O-N 3.02Å
767	K	98.6	Very high	88	Confident	13 Å²	13	34.3 Å²	34.3	6%	0.057	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133.2	-178.2	-54.7	-164.3	177.8	-166.6	0	112.7	A687 N688 E707 V709 L759	A687-K767 WeakPolarHBondContact O-CE 3.42Å; N688-K767 WeakPolarHBondContact O-CA 3.33Å; E707-K767 WeakPolarHBondContact OE1-CD 3.27Å; E707-K767 IonicContact OE1-NZ 3.28Å; E707-K767 PolarHBondContact OE1-NZ 3.06Å; E707-K767 IonicContact OE2-NZ 3.42Å; E707-K767 PolarHBondContact OE2-NZ 2.96Å; V709-K767 HydrophobicContact CG2-CD 4.36Å; L759-K767 PolarHBondContact N-O 2.6Å; L759-K767 PolarHBondContact O-N 3.05Å
768	L	97.9	Very high	85.8	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	138.5	170.9	-70.3	165.5	0	0	0	111.3	N688 I689 V690 L736 G739 L740 L753 L758 F771	N688-L768 PolarHBondContact O-N 2.86Å; I689-L768 HydrophobicContact CG1-CB 4.38Å; I689-L768 HydrophobicContact CG1-CD1 4.18Å; V690-L768 WeakPolarHBondContact CB-O 3.4Å; V690-L768 WeakPolarHBondContact CG1-O 3.32Å; V690-L768 PolarHBondContact N-O 2.94Å; L736-L768 HydrophobicContact CD1-CD2 3.91Å; G739-L768 VanDerWaalsContact C-CD1 3.42Å; L740-L768 HydrophobicContact CD2-CD1 4.11Å; L740-L768 HydrophobicContact CD2-CD2 4.24Å; L740-L768 HydrophobicContact CG-CD1 4.14Å; L740-L768 HydrophobicContact CG-CD2 4.35Å; L753-L768 HydrophobicContact CD2-CD2 3.59Å; L758-L768 HydrophobicContact CD2-CD2 3.63Å; L768-F771 HydrophobicContact CB-CE2 4.01Å; L768-F771 HydrophobicContact CB-CZ 3.99Å
769	A	94.2	Very high	83.7	Confident	11 Å²	11	41.4 Å²	41.4	9%	0.091	22%	0.223	C	C	.	.			trans	-144.7	167.6	179.4	0	0	0	0	0	113.4	V690 H750 N757 L759	V690-A769 HydrophobicContact CB-CB 4.29Å; V690-A769 HydrophobicContact CG1-CB 3.79Å; H750-A769 PolarHBondContact CE1-O 2.78Å; H750-A769 PolarHBondContact NE2-O 2.68Å; N757-A769 PolarHBondContact O-N 2.82Å; L759-A769 HydrophobicContact CD1-CB 3.75Å; L759-A769 HydrophobicContact CG-CB 3.82Å
770	D	86.4	Confident	81.1	Confident	56 Å²	56	44.6 Å²	44.6	30%	0.299	25%	0.246	S	C	.	.			trans	63.5	60.8	-177.8	-160.7	31.4	0	0	0	115.2	K660 G772	K660-D770 IonicContact NZ-OD1 3.63Å; K660-D770 PolarHBondContact NZ-OD1 2.8Å; D770-G772 PolarHBondContact O-N 2.78Å
771	F	84	Confident	78.7	Confident	1 Å²	1	46 Å²	46	0%	0.004	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-72.8	11.8	175.9	-73.6	-103.2	0	0	0	113.5	E677 L681 L684 I689 H750 L768 L773 A774	E677-F771 HydrophobicContact CG-CB 4.38Å; L681-F771 HydrophobicContact CD2-CB 4.33Å; L681-F771 HydrophobicContact CD2-CD2 3.74Å; L681-F771 HydrophobicContact CD2-CE2 4.32Å; L681-F771 HydrophobicContact CD2-CG 4.12Å; L681-F771 HydrophobicContact CG-CB 4.34Å; L684-F771 HydrophobicContact CD1-CD1 3.71Å; L684-F771 HydrophobicContact CD1-CE1 3.42Å; L684-F771 VanDerWaalsContact CD1-CE1 3.42Å; L684-F771 HydrophobicContact CD1-CG 4.4Å; L684-F771 HydrophobicContact CD1-CZ 3.91Å; I689-F771 HydrophobicContact CG2-CE2 3.81Å; I689-F771 HydrophobicContact CG2-CZ 3.89Å; H750-F771 AromaticContact CD2-CE1 3.9Å; H750-F771 AromaticContact CD2-CZ 3.84Å; L768-F771 HydrophobicContact CB-CE2 4.01Å; L768-F771 HydrophobicContact CB-CZ 3.99Å; F771-L773 PolarHBondContact O-N 2.82Å; F771-A774 HydrophobicContact CB-CB 3.96Å; F771-A774 HydrophobicContact CD1-CB 3.7Å; F771-A774 HydrophobicContact CG-CB 4.26Å; F771-A774 VanDerWaalsContact O-CB 3.3Å; F771-A774 WeakPolarHBondContact O-CB 3.32Å; F771-A774 PolarHBondContact O-N 2.55Å
772	G	71.7	Confident	76.2	Confident	12 Å²	12	57.2 Å²	57.2	12%	0.124	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-59.6	-25.5	177.2	0	0	0	0	0	114.4	D770	D770-G772 PolarHBondContact O-N 2.78Å
773	L	74	Confident	74	Confident	75 Å²	75	56.4 Å²	56.4	39%	0.393	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-101	-0.7	172.9	-69.9	176.7	0	0	0	114.1	R751 D752 F771	R751-L773 VanDerWaalsContact CZ-O 3.23Å; R751-L773 PolarHBondContact NE-O 2.92Å; R751-L773 PolarHBondContact NH2-O 2.84Å; D752-L773 HydrophobicContact CB-CB 4.4Å; D752-L773 HydrophobicContact CB-CD1 3.78Å; F771-L773 PolarHBondContact O-N 2.82Å
774	A	74.6	Confident	72.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.277	C	S	.	.			trans	-69.1	152.7	-179.5	0	0	0	0	0	112.5	R676 L680 I748 L749 F771	R676-A774 VanDerWaalsContact CD-O 3.26Å; R676-A774 WeakPolarHBondContact CD-O 3.41Å; L680-A774 HydrophobicContact CD1-CB 3.73Å; I748-A774 HydrophobicContact CG2-CB 4.29Å; L749-A774 WeakPolarHBondContact O-CA 3.41Å; L749-A774 WeakPolarHBondContact O-CB 3.26Å; F771-A774 HydrophobicContact CB-CB 3.96Å; F771-A774 HydrophobicContact CD1-CB 3.7Å; F771-A774 HydrophobicContact CG-CB 4.26Å; F771-A774 VanDerWaalsContact O-CB 3.3Å; F771-A774 WeakPolarHBondContact O-CB 3.32Å; F771-A774 PolarHBondContact O-N 2.55Å
775	R	73.5	Confident	70.2	Confident	62 Å²	62	56 Å²	56	23%	0.234	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	152.4	176.5	-79.9	-170.7	178.9	-162	7.6	111.4	L749 S781 Y784	L749-R775 PolarHBondContact N-O 3.01Å; L749-R775 PolarHBondContact O-N 2.9Å; R775-S781 VanDerWaalsContact NH1-CB 3.27Å; R775-S781 PolarHBondContact NH1-OG 2.94Å; R775-Y784 VanDerWaalsContact NH1-CE1 3.34Å
776	A	65.7	Low	68.3	Low	30 Å²	30	57.6 Å²	57.6	25%	0.248	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	133.4	164.6	0	0	0	0	0	110.9	H747 S778 V779	H747-A776 CarbonylContact O-C 3.55Å; H747-A776 VanDerWaalsContact O-CA 3.26Å; H747-A776 WeakPolarHBondContact O-CA 3.36Å; A776-S778 PolarHBondContact O-N 3.21Å; A776-V779 HydrophobicContact CB-CG2 4.18Å; A776-V779 PolarHBondContact O-N 3.42Å
777	K	57.7	Low	66.5	Low	108 Å²	108	64.9 Å²	64.9	47%	0.47	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-28.3	175.8	-177.4	-167.9	172.5	-165.2	0	112.1	H747 L749 V779	H747-K777 HydrophobicContact CB-CB 4.2Å; H747-K777 WeakPolarHBondContact O-CB 3.34Å; H747-K777 PolarHBondContact O-N 2.68Å; L749-K777 HydrophobicContact CG-CB 4.32Å; K777-V779 VanDerWaalsContact C-N 3.31Å; K777-V779 PolarHBondContact O-N 3.19Å
778	S	49.9	Very low	65	Low	87 Å²	87	64.8 Å²	64.8	61%	0.608	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-6.2	-178.6	51.3	0	0	0	0	114.9	A776 P780	A776-S778 PolarHBondContact O-N 3.21Å; S778-P780 VanDerWaalsContact O-CD 3.23Å; S778-P780 WeakPolarHBondContact O-CD 3.39Å
779	V	53.3	Low	64	Low	77 Å²	77	65.2 Å²	65.2	47%	0.467	35%	0.348	S	S	.	.	S	Bend	trans	-90.2	107.4	178.7	177.5	0	0	0	0	109.6	A776 K777 S781 Y784	A776-V779 HydrophobicContact CB-CG2 4.18Å; A776-V779 PolarHBondContact O-N 3.42Å; K777-V779 VanDerWaalsContact C-N 3.31Å; K777-V779 PolarHBondContact O-N 3.19Å; V779-S781 VanDerWaalsContact C-N 3.3Å; V779-S781 PolarHBondContact O-N 2.87Å; V779-Y784 PolarHBondContact O-OH 2.96Å; V779-Y784 VanDerWaalsContact O-OH 3.06Å
780	P	43.8	Very low	63.5	Low	104 Å²	104	67.1 Å²	67.1	68%	0.675	36%	0.359	S	S	*	.			trans	-77.6	81.2	-175.8	-9.9	29.5	0	0	0	110.3	S778 R782	S778-P780 VanDerWaalsContact O-CD 3.23Å; S778-P780 WeakPolarHBondContact O-CD 3.39Å; P780-R782 VanDerWaalsContact C-N 3.34Å; P780-R782 PolarHBondContact O-N 3.5Å
781	S	47.4	Very low	63.8	Low	33 Å²	33	66.2 Å²	66.2	23%	0.231	35%	0.354	C	S	.	.			trans	-67.3	93.6	171.4	-161.4	0	0	0	0	107.7	R775 V779 T783	R775-S781 VanDerWaalsContact NH1-CB 3.27Å; R775-S781 PolarHBondContact NH1-OG 2.94Å; V779-S781 VanDerWaalsContact C-N 3.3Å; V779-S781 PolarHBondContact O-N 2.87Å; S781-T783 CarbonylContact C-O 3.58Å; S781-T783 CarbonylContact O-C 3.56Å; S781-T783 WeakPolarHBondContact O-CA 3.4Å; S781-T783 PolarHBondContact O-N 2.76Å; S781-T783 PolarHBondContact OG-O 2.81Å
782	R	45	Very low	64.4	Low	247 Å²	247	70.9 Å²	70.9	93%	0.932	37%	0.371	S	S	*	.	S	Bend	trans	-50.4	-25.4	-171.2	-76.6	-173.6	171.2	-175.9	-3.9	114.1	P780	P780-R782 VanDerWaalsContact C-N 3.34Å; P780-R782 PolarHBondContact O-N 3.5Å
783	T	46.8	Very low	65.5	Low	108 Å²	108	70.5 Å²	70.5	66%	0.663	37%	0.366	S	S	*	.	S	Bend	trans	-127	146.1	147.7	53.6	0	0	0	0	110.7	S781	S781-T783 CarbonylContact C-O 3.58Å; S781-T783 CarbonylContact O-C 3.56Å; S781-T783 WeakPolarHBondContact O-CA 3.4Å; S781-T783 PolarHBondContact O-N 2.76Å; S781-T783 PolarHBondContact OG-O 2.81Å
784	Y	55.9	Low	66.6	Low	26 Å²	26	68.2 Å²	68.2	10%	0.102	35%	0.352	C	S	.	.			trans	-108	145	157.6	-68.8	-86.3	0	0	0	108.5	R775 V779 T803 Y805	R775-Y784 VanDerWaalsContact NH1-CE1 3.34Å; V779-Y784 PolarHBondContact O-OH 2.96Å; V779-Y784 VanDerWaalsContact O-OH 3.06Å; Y784-T803 WeakPolarHBondContact CD2-O 3.25Å; Y784-Y805 AromaticContact CD1-CD2 3.99Å; Y784-Y805 HydrophobicContact CD1-CD2 3.99Å; Y784-Y805 HydrophobicContact CD1-CE2 4.31Å; Y784-Y805 AromaticContact CD2-CD2 3.99Å; Y784-Y805 HydrophobicContact CD2-CD2 3.99Å; Y784-Y805 HydrophobicContact CD2-CE2 4.45Å; Y784-Y805 HydrophobicContact CD2-CG 4.28Å; Y784-Y805 AromaticContact CG-CD2 3.64Å; Y784-Y805 HydrophobicContact CG-CD2 3.64Å; Y784-Y805 AromaticContact CG-CE2 3.82Å; Y784-Y805 HydrophobicContact CG-CE2 3.82Å; Y784-Y805 HydrophobicContact CG-CG 4.37Å
785	S	57	Low	67.6	Low	80 Å²	80	68.2 Å²	68.2	56%	0.559	35%	0.352	S	S	*	.			trans	-75.5	132	176.2	51.8	0	0	0	0	111.4	E787 V788 Y805	S785-E787 PolarHBondContact O-N 3.5Å; S785-V788 WeakPolarHBondContact O-CG1 3.45Å; S785-V788 PolarHBondContact O-N 2.83Å; S785-Y805 PolarHBondContact O-OH 3.28Å; S785-Y805 VanDerWaalsContact O-OH 3.14Å
786	H	57.4	Low	68.7	Low	80 Å²	80	65.3 Å²	65.3	37%	0.37	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	7.5	178.6	61.4	-101.6	0	0	0	114.6	R794 Y805 K861	H786-R794 PolarHBondContact O-NH1 3.1Å; H786-R794 VanDerWaalsContact O-NH1 3.15Å; H786-Y805 WeakPolarHBondContact CA-OH 3.41Å; H786-K861 PolarHBondContact CD2-NZ 3.5Å; H786-K861 PolarHBondContact NE2-NZ 2.83Å
787	E	62.3	Low	70.1	Confident	152 Å²	152	64.1 Å²	64.1	71%	0.71	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	12.7	175.4	-59.7	-165.2	138.7	0	0	113.3	S785 R794	S785-E787 PolarHBondContact O-N 3.5Å; E787-R794 PolarHBondContact O-NH2 3.47Å
788	V	66.2	Low	71.8	Confident	12 Å²	12	59 Å²	59	7%	0.073	31%	0.308	C	S	.	.			trans	-67.2	159.7	165.3	-66.7	0	0	0	0	112.1	S785 R794 V798 Y805 L809	S785-V788 WeakPolarHBondContact O-CG1 3.45Å; S785-V788 PolarHBondContact O-N 2.83Å; V788-R794 VanDerWaalsContact O-CZ 3.26Å; V788-R794 PolarHBondContact O-NE 3.45Å; V788-R794 PolarHBondContact O-NH2 3.07Å; V788-V798 HydrophobicContact CG2-CG1 4.15Å; V788-Y805 HydrophobicContact CB-CE2 4.43Å; V788-Y805 HydrophobicContact CG1-CE2 4.23Å; V788-Y805 HydrophobicContact CG2-CD2 4.17Å; V788-Y805 HydrophobicContact CG2-CE2 3.37Å; V788-L809 HydrophobicContact CG2-CD1 4.42Å
789	V	76.8	Confident	73.9	Confident	9 Å²	9	54.9 Å²	54.9	6%	0.055	28%	0.28	C	S	.	.	S	Bend	trans	63.5	135.8	-174.7	-154.4	0	0	0	0	114.1	R751 L791 R794 L809	R751-V789 WeakPolarHBondContact O-CA 3.19Å; R751-V789 WeakPolarHBondContact O-CG2 3.21Å; R751-V789 PolarHBondContact O-N 2.82Å; V789-L791 PolarHBondContact O-N 3.12Å; V789-R794 HydrophobicContact CB-CB 4.17Å; V789-R794 HydrophobicContact CB-CG 4.32Å; V789-R794 PolarHBondContact O-NE 3.46Å; V789-R794 PolarHBondContact O-NH2 3.43Å; V789-L809 HydrophobicContact CG2-CD1 4.36Å; V789-L809 HydrophobicContact CG2-CD2 3.61Å; V789-L809 HydrophobicContact CG2-CG 4.19Å
790	T	84.5	Confident	75.9	Confident	51 Å²	51	51.2 Å²	51.2	31%	0.313	26%	0.257	S	S	.	.			trans	-53.8	130	164.4	-63.1	0	0	0	0	110.6	D752 K754 W792 Y793 R794	D752-T790 WeakPolarHBondContact OD1-CB 3.47Å; D752-T790 PolarHBondContact OD1-N 3.15Å; D752-T790 PolarHBondContact OD1-OG1 3.15Å; K754-T790 HydrophobicContact CD-CG2 4.33Å; K754-T790 WeakPolarHBondContact CD-OG1 3.4Å; T790-W792 VanDerWaalsContact C-N 3.33Å; T790-W792 PolarHBondContact O-N 3.01Å; T790-W792 VanDerWaalsContact O-N 3.07Å; T790-Y793 HydrophobicContact CG2-CD2 3.95Å; T790-Y793 HydrophobicContact CG2-CE2 3.98Å; T790-Y793 PolarHBondContact O-N 3.39Å; T790-R794 PolarHBondContact O-N 2.99Å
791	L	92.6	Very high	78.2	Confident	37 Å²	37	46.7 Å²	46.7	19%	0.194	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-50.4	-42.7	-161.2	-176.5	62.3	0	0	0	115.3	V789 Y793 R794 L799 Q837	V789-L791 PolarHBondContact O-N 3.12Å; L791-Y793 PolarHBondContact O-N 3.25Å; L791-R794 WeakPolarHBondContact O-CB 3.31Å; L791-R794 PolarHBondContact O-N 3.46Å; L791-R794 VanDerWaalsContact O-N 3.15Å; L791-L799 HydrophobicContact CD1-CD2 3.97Å; L791-Q837 HydrophobicContact CD1-CB 3.81Å; L791-Q837 HydrophobicContact CD1-CG 3.95Å; L791-Q837 HydrophobicContact CD2-CB 4.43Å; L791-Q837 HydrophobicContact CG-CB 4.04Å; L791-Q837 HydrophobicContact CG-CG 4.15Å; L791-Q837 PolarHBondContact O-NE2 3.44Å
792	W	96	Very high	80.2	Confident	98 Å²	98	46 Å²	46	37%	0.371	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-63.8	-24.8	-176.1	-58.3	-3.3	0	0	0	113.8	T790 A826 F828 P829 G830 Q837	T790-W792 VanDerWaalsContact C-N 3.33Å; T790-W792 PolarHBondContact O-N 3.01Å; T790-W792 VanDerWaalsContact O-N 3.07Å; W792-A826 HydrophobicContact CD2-CB 4.39Å; W792-A826 HydrophobicContact CE3-CB 3.45Å; W792-A826 VanDerWaalsContact CE3-CB 3.45Å; W792-A826 HydrophobicContact CZ3-CB 3.57Å; W792-F828 WeakPolarHBondContact CA-O 3.25Å; W792-F828 WeakPolarHBondContact CB-O 3.46Å; W792-P829 HydrophobicContact CD2-CB 4.19Å; W792-P829 HydrophobicContact CH2-CB 4.49Å; W792-P829 HydrophobicContact CZ2-CB 4.12Å; W792-G830 VanDerWaalsContact CD1-O 3.24Å; W792-G830 PolarHBondContact NE1-O 2.83Å; W792-Q837 PolarHBondContact O-NE2 3.07Å
793	Y	96.3	Very high	82	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.016	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-107.9	6.1	-177.4	-42	-81.8	0	0	0	111.6	L753 K754 P755 T790 L791 C816 I817 E820	L753-Y793 WeakPolarHBondContact O-CB 3.32Å; K754-Y793 HydrophobicContact CB-CD2 3.7Å; K754-Y793 HydrophobicContact CB-CE2 3.51Å; K754-Y793 HydrophobicContact CB-CG 4.43Å; P755-Y793 WeakPolarHBondContact CD-OH 3.34Å; P755-Y793 HydrophobicContact CG-CE1 4.39Å; T790-Y793 HydrophobicContact CG2-CD2 3.95Å; T790-Y793 HydrophobicContact CG2-CE2 3.98Å; T790-Y793 PolarHBondContact O-N 3.39Å; L791-Y793 PolarHBondContact O-N 3.25Å; Y793-C816 HydrophobicContact CD1-CB 3.79Å; Y793-C816 HydrophobicContact CE1-CB 4.43Å; Y793-I817 HydrophobicContact CD1-CG1 3.96Å; Y793-I817 HydrophobicContact CE1-CG1 4.01Å; Y793-E820 WeakPolarHBondContact CE1-OE2 3.26Å; Y793-E820 PolarHBondContact OH-OE2 3.2Å
794	R	95.4	Very high	83.7	Confident	28 Å²	28	37.1 Å²	37.1	11%	0.106	20%	0.201	C	C	.	.			trans	-78.7	130.9	178.5	-167	-179.6	-65.7	173.1	2.5	110	H786 E787 V788 V789 T790 L791 V798 L799 W812	H786-R794 PolarHBondContact O-NH1 3.1Å; H786-R794 VanDerWaalsContact O-NH1 3.15Å; E787-R794 PolarHBondContact O-NH2 3.47Å; V788-R794 VanDerWaalsContact O-CZ 3.26Å; V788-R794 PolarHBondContact O-NE 3.45Å; V788-R794 PolarHBondContact O-NH2 3.07Å; V789-R794 HydrophobicContact CB-CB 4.17Å; V789-R794 HydrophobicContact CB-CG 4.32Å; V789-R794 PolarHBondContact O-NE 3.46Å; V789-R794 PolarHBondContact O-NH2 3.43Å; T790-R794 PolarHBondContact O-N 2.99Å; L791-R794 WeakPolarHBondContact O-CB 3.31Å; L791-R794 PolarHBondContact O-N 3.46Å; L791-R794 VanDerWaalsContact O-N 3.15Å; R794-V798 HydrophobicContact CG-CB 4.19Å; R794-V798 HydrophobicContact CG-CG1 4.03Å; R794-L799 HydrophobicContact CB-CG 4.38Å; R794-L799 HydrophobicContact CG-CD2 4.29Å; R794-L799 HydrophobicContact CG-CG 4.02Å; R794-L799 WeakPolarHBondContact O-CD1 3.33Å; R794-W812 PolarHBondContact O-NE1 2.97Å
795	P	96.2	Very high	85	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.			trans	-77.8	158.3	-176.9	33.4	-38.8	0	0	0	113.2	D797 V798 L799 L809 W812	P795-D797 VanDerWaalsContact C-N 3.31Å; P795-D797 VanDerWaalsContact CB-OD1 3.32Å; P795-D797 WeakPolarHBondContact CB-OD1 3.44Å; P795-D797 PolarHBondContact O-N 3.45Å; P795-V798 HydrophobicContact CG-CB 4.01Å; P795-V798 HydrophobicContact CG-CG2 3.61Å; P795-V798 PolarHBondContact O-N 2.89Å; P795-L799 WeakPolarHBondContact O-CG 3.35Å; P795-L799 PolarHBondContact O-N 2.81Å; P795-L799 VanDerWaalsContact O-N 3.1Å; P795-L809 HydrophobicContact CG-CG 4.26Å; P795-W812 HydrophobicContact CB-CB 3.72Å; P795-W812 HydrophobicContact CB-CD2 3.91Å; P795-W812 HydrophobicContact CB-CE3 4.48Å; P795-W812 HydrophobicContact CB-CG 3.51Å
796	P	96.3	Very high	86.5	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63	-32	-175	24.5	-34.6	0	0	0	113.4	L799 L800 W812 L838 I841 F842 W853 L940	P796-L799 PolarHBondContact O-N 2.85Å; P796-L800 VanDerWaalsContact O-CB 3.32Å; P796-L800 WeakPolarHBondContact O-CB 3.33Å; P796-L800 VanDerWaalsContact O-CG 3.26Å; P796-L800 WeakPolarHBondContact O-CG 3.46Å; P796-L800 PolarHBondContact O-N 3.02Å; P796-W812 HydrophobicContact CG-CE3 4.34Å; P796-W812 HydrophobicContact CG-CH2 4Å; P796-W812 HydrophobicContact CG-CZ2 4.5Å; P796-W812 HydrophobicContact CG-CZ3 3.89Å; P796-L838 HydrophobicContact CB-CD2 4.13Å; P796-I841 HydrophobicContact CB-CD1 4.49Å; P796-F842 HydrophobicContact CB-CE1 4.39Å; P796-W853 HydrophobicContact CB-CZ3 4.43Å; P796-L940 HydrophobicContact CB-CD2 4.35Å; P796-L940 HydrophobicContact CG-CB 4.44Å; P796-L940 HydrophobicContact CG-CD2 3.84Å
797	D	95.4	Very high	88.3	Confident	5 Å²	5	32.4 Å²	32.4	3%	0.027	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-44.4	177	61.4	-73.4	0	0	0	112.4	P795 L799 L800 G801 S802 W853 P942 R945	P795-D797 VanDerWaalsContact C-N 3.31Å; P795-D797 VanDerWaalsContact CB-OD1 3.32Å; P795-D797 WeakPolarHBondContact CB-OD1 3.44Å; P795-D797 PolarHBondContact O-N 3.45Å; D797-L799 VanDerWaalsContact C-N 3.34Å; D797-L800 CarbonylContact O-C 3.37Å; D797-L800 PolarHBondContact O-N 3.13Å; D797-G801 PolarHBondContact O-N 3.32Å; D797-G801 VanDerWaalsContact O-N 3.15Å; D797-S802 WeakPolarHBondContact O-CB 3.31Å; D797-S802 PolarHBondContact O-N 3.46Å; D797-W853 HydrophobicContact CB-CH2 3.72Å; D797-W853 HydrophobicContact CB-CZ2 3.93Å; D797-P942 HydrophobicContact CB-CG 3.49Å; D797-P942 VanDerWaalsContact CB-CG 3.49Å; D797-R945 IonicContact OD1-CZ 3.69Å; D797-R945 IonicContact OD1-NH1 2.69Å; D797-R945 PolarHBondContact OD1-NH1 2.76Å; D797-R945 IonicContact OD1-NH2 3.42Å; D797-R945 PolarHBondContact OD1-NH2 2.86Å
798	V	93.6	Very high	89.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.9	-38.4	176.3	179	0	0	0	0	110.6	V788 R794 P795 G801 Y805 L809	V788-V798 HydrophobicContact CG2-CG1 4.15Å; R794-V798 HydrophobicContact CG-CB 4.19Å; R794-V798 HydrophobicContact CG-CG1 4.03Å; P795-V798 HydrophobicContact CG-CB 4.01Å; P795-V798 HydrophobicContact CG-CG2 3.61Å; P795-V798 PolarHBondContact O-N 2.89Å; V798-G801 PolarHBondContact O-N 2.98Å; V798-G801 VanDerWaalsContact O-N 3.15Å; V798-Y805 HydrophobicContact CB-CE1 4.45Å; V798-Y805 HydrophobicContact CG1-CE1 4.17Å; V798-Y805 HydrophobicContact CG2-CD1 4.05Å; V798-Y805 HydrophobicContact CG2-CE1 3.65Å; V798-L809 HydrophobicContact CG2-CD1 4.05Å
799	L	94.5	Very high	91.2	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-63.6	-39.6	174.7	-73	161.1	0	0	0	112.5	L791 R794 P795 P796 D797 G801 Q837 L838 I841 K861	L791-L799 HydrophobicContact CD1-CD2 3.97Å; R794-L799 HydrophobicContact CB-CG 4.38Å; R794-L799 HydrophobicContact CG-CD2 4.29Å; R794-L799 HydrophobicContact CG-CG 4.02Å; R794-L799 WeakPolarHBondContact O-CD1 3.33Å; P795-L799 WeakPolarHBondContact O-CG 3.35Å; P795-L799 PolarHBondContact O-N 2.81Å; P795-L799 VanDerWaalsContact O-N 3.1Å; P796-L799 PolarHBondContact O-N 2.85Å; D797-L799 VanDerWaalsContact C-N 3.34Å; L799-G801 PolarHBondContact O-N 3.14Å; L799-Q837 HydrophobicContact CD1-CB 4.25Å; L799-Q837 HydrophobicContact CD1-CG 3.49Å; L799-Q837 VanDerWaalsContact CD1-CG 3.49Å; L799-Q837 HydrophobicContact CD2-CB 4.15Å; L799-Q837 HydrophobicContact CD2-CG 4.03Å; L799-Q837 HydrophobicContact CG-CG 4.43Å; L799-L838 HydrophobicContact CB-CD1 4.06Å; L799-L838 HydrophobicContact CB-CD2 3.62Å; L799-L838 HydrophobicContact CB-CG 3.74Å; L799-L838 HydrophobicContact CD1-CD2 4Å; L799-L838 HydrophobicContact CD1-CG 4.18Å; L799-L838 HydrophobicContact CG-CD2 4.43Å; L799-L838 HydrophobicContact CG-CG 4.45Å; L799-I841 HydrophobicContact CD1-CD1 3.7Å; L799-K861 WeakPolarHBondContact O-CD 3.47Å
800	L	94.7	Very high	92.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-0	174	-71.2	171.4	0	0	0	113.9	P796 D797 L838 F842 W853 V856 L859 K861	P796-L800 VanDerWaalsContact O-CB 3.32Å; P796-L800 WeakPolarHBondContact O-CB 3.33Å; P796-L800 VanDerWaalsContact O-CG 3.26Å; P796-L800 WeakPolarHBondContact O-CG 3.46Å; P796-L800 PolarHBondContact O-N 3.02Å; D797-L800 CarbonylContact O-C 3.37Å; D797-L800 PolarHBondContact O-N 3.13Å; L800-L838 HydrophobicContact CD2-CD1 3.94Å; L800-L838 HydrophobicContact CD2-CD2 4.49Å; L800-L838 HydrophobicContact CG-CD1 4.31Å; L800-L838 HydrophobicContact CG-CD2 4.16Å; L800-F842 HydrophobicContact CD1-CZ 4.47Å; L800-W853 HydrophobicContact CD1-CH2 4.21Å; L800-W853 HydrophobicContact CD1-CZ3 4.1Å; L800-V856 HydrophobicContact CD1-CG2 4.12Å; L800-L859 HydrophobicContact CB-CB 4.11Å; L800-L859 HydrophobicContact CB-CD1 3.82Å; L800-L859 HydrophobicContact CD1-CD1 3.87Å; L800-K861 WeakPolarHBondContact O-CB 3.45Å; L800-K861 PolarHBondContact O-N 3.13Å
801	G	91.2	Very high	92.8	Very high	9 Å²	9	22.9 Å²	22.9	9%	0.093	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.9	16.5	172.3	0	0	0	0	0	115.8	D797 V798 L799	D797-G801 PolarHBondContact O-N 3.32Å; D797-G801 VanDerWaalsContact O-N 3.15Å; V798-G801 PolarHBondContact O-N 2.98Å; V798-G801 VanDerWaalsContact O-N 3.15Å; L799-G801 PolarHBondContact O-N 3.14Å
802	S	90.6	Very high	93.1	Very high	17 Å²	17	21.1 Å²	21.1	12%	0.119	12%	0.122	C	C	.	.			trans	-54.2	140.6	166.1	-179.4	0	0	0	0	110.9	D797 C804 Y805	D797-S802 WeakPolarHBondContact O-CB 3.31Å; D797-S802 PolarHBondContact O-N 3.46Å; S802-C804 PolarHBondContact OG-N 2.92Å; S802-Y805 VanDerWaalsContact O-CE1 3.29Å; S802-Y805 WeakPolarHBondContact O-CE1 3.31Å
803	T	82.9	Confident	93.1	Very high	78 Å²	78	16.6 Å²	16.6	48%	0.479	11%	0.105	S	C	.	.			trans	-109.6	-10.1	172.6	51.8	0	0	0	0	112.6	Y784 Y805	Y784-T803 WeakPolarHBondContact CD2-O 3.25Å; T803-Y805 PolarHBondContact O-N 3.12Å
804	C	82.5	Confident	93.3	Very high	92 Å²	92	16.4 Å²	16.4	62%	0.622	10%	0.104	S	C	*	.			trans	-85	96.7	-178.7	-172.5	0	0	0	0	110.3	S802	S802-C804 PolarHBondContact OG-N 2.92Å
805	Y	82.6	Confident	93.4	Very high	12 Å²	12	15 Å²	15	5%	0.047	10%	0.099	C	C	.	.			trans	-96.7	123.8	-177.5	-62.7	-7.9	0	0	0	111.6	Y784 S785 H786 V788 V798 S802 T803 L809	Y784-Y805 AromaticContact CD1-CD2 3.99Å; Y784-Y805 HydrophobicContact CD1-CD2 3.99Å; Y784-Y805 HydrophobicContact CD1-CE2 4.31Å; Y784-Y805 AromaticContact CD2-CD2 3.99Å; Y784-Y805 HydrophobicContact CD2-CD2 3.99Å; Y784-Y805 HydrophobicContact CD2-CE2 4.45Å; Y784-Y805 HydrophobicContact CD2-CG 4.28Å; Y784-Y805 AromaticContact CG-CD2 3.64Å; Y784-Y805 HydrophobicContact CG-CD2 3.64Å; Y784-Y805 AromaticContact CG-CE2 3.82Å; Y784-Y805 HydrophobicContact CG-CE2 3.82Å; Y784-Y805 HydrophobicContact CG-CG 4.37Å; S785-Y805 PolarHBondContact O-OH 3.28Å; S785-Y805 VanDerWaalsContact O-OH 3.14Å; H786-Y805 WeakPolarHBondContact CA-OH 3.41Å; V788-Y805 HydrophobicContact CB-CE2 4.43Å; V788-Y805 HydrophobicContact CG1-CE2 4.23Å; V788-Y805 HydrophobicContact CG2-CD2 4.17Å; V788-Y805 HydrophobicContact CG2-CE2 3.37Å; V798-Y805 HydrophobicContact CB-CE1 4.45Å; V798-Y805 HydrophobicContact CG1-CE1 4.17Å; V798-Y805 HydrophobicContact CG2-CD1 4.05Å; V798-Y805 HydrophobicContact CG2-CE1 3.65Å; S802-Y805 VanDerWaalsContact O-CE1 3.29Å; S802-Y805 WeakPolarHBondContact O-CE1 3.31Å; T803-Y805 PolarHBondContact O-N 3.12Å; Y805-L809 HydrophobicContact CD1-CD1 4.15Å; Y805-L809 HydrophobicContact CD2-CD1 4.11Å; Y805-L809 HydrophobicContact CG-CD1 3.89Å
806	T	89.3	Confident	93.5	Very high	49 Å²	49	15.1 Å²	15.1	30%	0.301	10%	0.1	S	C	.	.			trans	-128.3	-178.8	179.2	87.6	0	0	0	0	110.6	S808 L809	T806-S808 PolarHBondContact O-N 3.05Å; T806-S808 VanDerWaalsContact O-N 3.12Å; T806-S808 PolarHBondContact OG1-N 2.84Å; T806-S808 VanDerWaalsContact OG1-N 3.15Å; T806-S808 PolarHBondContact OG1-OG 3.1Å; T806-L809 WeakPolarHBondContact O-CB 3.39Å; T806-L809 PolarHBondContact O-N 2.99Å; T806-L809 VanDerWaalsContact O-N 3.14Å
807	A	93.8	Very high	93.6	Very high	26 Å²	26	15.1 Å²	15.1	22%	0.215	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-30.9	172.3	0	0	0	0	0	113.2	H744 L749 L809 D810 I811	H744-A807 HydrophobicContact CB-CB 4.34Å; L749-A807 HydrophobicContact CD2-CB 4.33Å; A807-L809 PolarHBondContact O-N 3.45Å; A807-L809 VanDerWaalsContact O-N 3.13Å; A807-D810 PolarHBondContact O-N 3.02Å; A807-I811 PolarHBondContact O-N 2.59Å
808	S	95.1	Very high	93.8	Very high	14 Å²	14	14.9 Å²	14.9	10%	0.098	10%	0.099	C	C	.	.	H	α-helix	trans	-69.4	-8.3	-178	71.5	0	0	0	0	114.8	T806 W812 P942 R945	T806-S808 PolarHBondContact O-N 3.05Å; T806-S808 VanDerWaalsContact O-N 3.12Å; T806-S808 PolarHBondContact OG1-N 2.84Å; T806-S808 VanDerWaalsContact OG1-N 3.15Å; T806-S808 PolarHBondContact OG1-OG 3.1Å; S808-W812 PolarHBondContact O-N 3Å; S808-P942 WeakPolarHBondContact CB-O 3.11Å; S808-P942 PolarHBondContact OG-O 2.96Å; S808-R945 VanDerWaalsContact O-CD 3.23Å; S808-R945 WeakPolarHBondContact O-CD 3.07Å; S808-R945 PolarHBondContact O-NH1 2.85Å
809	L	94.7	Very high	94	Very high	6 Å²	6	14.9 Å²	14.9	3%	0.031	10%	0.099	C	C	.	.	H	α-helix	trans	-68.8	-46.2	165.9	178.5	161.8	0	0	0	110.9	R751 V788 V789 P795 V798 Y805 T806 A807 W812	R751-L809 HydrophobicContact CB-CD2 4.4Å; V788-L809 HydrophobicContact CG2-CD1 4.42Å; V789-L809 HydrophobicContact CG2-CD1 4.36Å; V789-L809 HydrophobicContact CG2-CD2 3.61Å; V789-L809 HydrophobicContact CG2-CG 4.19Å; P795-L809 HydrophobicContact CG-CG 4.26Å; V798-L809 HydrophobicContact CG2-CD1 4.05Å; Y805-L809 HydrophobicContact CD1-CD1 4.15Å; Y805-L809 HydrophobicContact CD2-CD1 4.11Å; Y805-L809 HydrophobicContact CG-CD1 3.89Å; T806-L809 WeakPolarHBondContact O-CB 3.39Å; T806-L809 PolarHBondContact O-N 2.99Å; T806-L809 VanDerWaalsContact O-N 3.14Å; A807-L809 PolarHBondContact O-N 3.45Å; A807-L809 VanDerWaalsContact O-N 3.13Å; L809-W812 PolarHBondContact O-N 2.94Å
810	D	96.5	Very high	94.2	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.011	10%	0.101	C	C	.	.	H	α-helix	trans	-68.1	-37.5	178	-68.4	-29.3	0	0	0	110.8	L740 H744 H750 R751 L753 A807 W812 G813 V814	L740-D810 HydrophobicContact CD2-CB 4.35Å; H744-D810 IonicContact CD2-OD2 3.19Å; H744-D810 IonicContact CE1-OD2 3.38Å; H744-D810 IonicContact NE2-OD2 3.32Å; H744-D810 PolarHBondContact NE2-OD2 2.91Å; H750-D810 PolarHBondContact N-OD1 3.28Å; H750-D810 PolarHBondContact N-OD2 3.32Å; R751-D810 PolarHBondContact N-OD1 3.31Å; L753-D810 HydrophobicContact CD1-CB 3.73Å; L753-D810 VanDerWaalsContact CD1-O 3.27Å; L753-D810 WeakPolarHBondContact CD1-O 3.42Å; A807-D810 PolarHBondContact O-N 3.02Å; D810-W812 VanDerWaalsContact C-N 3.31Å; D810-W812 PolarHBondContact O-N 2.97Å; D810-G813 WeakPolarHBondContact O-CA 3.44Å; D810-G813 PolarHBondContact O-N 3.1Å; D810-V814 PolarHBondContact O-N 3.1Å
811	I	98.3	Very high	94.4	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-58.8	-39.1	178.3	-59.2	-55.3	0	0	0	112.6	A807 G813 V814 G815 F937 R945 I946 A948	A807-I811 PolarHBondContact O-N 2.59Å; I811-G813 VanDerWaalsContact C-N 3.3Å; I811-G813 PolarHBondContact O-N 2.86Å; I811-V814 WeakPolarHBondContact O-CB 3.42Å; I811-V814 PolarHBondContact O-N 3.4Å; I811-V814 VanDerWaalsContact O-N 3.17Å; I811-G815 PolarHBondContact O-N 3.15Å; I811-F937 HydrophobicContact CG2-CB 4.32Å; I811-F937 HydrophobicContact CG2-CD1 3.64Å; I811-F937 HydrophobicContact CG2-CE1 4.46Å; I811-F937 HydrophobicContact CG2-CG 4.41Å; I811-R945 HydrophobicContact CG2-CB 4.04Å; I811-I946 WeakPolarHBondContact CG1-O 3.4Å; I811-I946 WeakPolarHBondContact CG2-O 3.47Å; I811-A948 HydrophobicContact CD1-CB 3.87Å
812	W	98.2	Very high	94.7	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.4	-41.4	174.2	178.4	-84.1	0	0	0	111.6	R794 P795 P796 S808 L809 D810 V814 G815 C816 F828 I841 L938 L940	R794-W812 PolarHBondContact O-NE1 2.97Å; P795-W812 HydrophobicContact CB-CB 3.72Å; P795-W812 HydrophobicContact CB-CD2 3.91Å; P795-W812 HydrophobicContact CB-CE3 4.48Å; P795-W812 HydrophobicContact CB-CG 3.51Å; P796-W812 HydrophobicContact CG-CE3 4.34Å; P796-W812 HydrophobicContact CG-CH2 4Å; P796-W812 HydrophobicContact CG-CZ2 4.5Å; P796-W812 HydrophobicContact CG-CZ3 3.89Å; S808-W812 PolarHBondContact O-N 3Å; L809-W812 PolarHBondContact O-N 2.94Å; D810-W812 VanDerWaalsContact C-N 3.31Å; D810-W812 PolarHBondContact O-N 2.97Å; W812-V814 VanDerWaalsContact C-N 3.32Å; W812-V814 PolarHBondContact O-N 3.46Å; W812-G815 WeakPolarHBondContact O-CA 3.42Å; W812-G815 PolarHBondContact O-N 3.39Å; W812-G815 VanDerWaalsContact O-N 3.09Å; W812-C816 PolarHBondContact NE1-SG 3.39Å; W812-C816 PolarHBondContact O-N 3.15Å; W812-F828 HydrophobicContact CH2-CE2 4.34Å; W812-F828 HydrophobicContact CZ2-CD2 4.08Å; W812-F828 AromaticContact CZ2-CE2 3.74Å; W812-F828 HydrophobicContact CZ2-CE2 3.74Å; W812-I841 HydrophobicContact CH2-CG2 3.62Å; W812-I841 HydrophobicContact CZ2-CD1 3.81Å; W812-I841 HydrophobicContact CZ2-CG1 3.97Å; W812-I841 HydrophobicContact CZ2-CG2 3.88Å; W812-L938 HydrophobicContact CD2-CD2 4.07Å; W812-L938 HydrophobicContact CE3-CD2 4.14Å; W812-L938 HydrophobicContact CH2-CB 4.49Å; W812-L938 HydrophobicContact CH2-CD2 4.17Å; W812-L938 HydrophobicContact CZ2-CD2 4.1Å; W812-L938 HydrophobicContact CZ3-CB 4.23Å; W812-L938 HydrophobicContact CZ3-CD2 4.21Å; W812-L938 VanDerWaalsContact CZ3-O 3.3Å; W812-L938 WeakPolarHBondContact CZ3-O 3.44Å; W812-L940 HydrophobicContact CH2-CD2 4.23Å; W812-L940 HydrophobicContact CZ3-CD2 4.34Å
813	G	97.8	Very high	95	Very high	2 Å²	2	15.4 Å²	15.4	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-59.9	-40.2	173.2	0	0	0	0	0	112.6	D810 I811 G815 C816 I817	D810-G813 WeakPolarHBondContact O-CA 3.44Å; D810-G813 PolarHBondContact O-N 3.1Å; I811-G813 VanDerWaalsContact C-N 3.3Å; I811-G813 PolarHBondContact O-N 2.86Å; G813-G815 VanDerWaalsContact C-N 3.33Å; G813-G815 PolarHBondContact O-N 3Å; G813-C816 PolarHBondContact O-N 3Å; G813-I817 WeakPolarHBondContact O-CB 3.38Å; G813-I817 WeakPolarHBondContact O-CD1 3.39Å; G813-I817 WeakPolarHBondContact O-CG1 3.33Å; G813-I817 PolarHBondContact O-N 3.35Å
814	V	98.8	Very high	95.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.8	-43.2	171.4	179.4	0	0	0	0	111.2	L733 L736 L737 L740 L753 D810 I811 W812 I817 F818 F937	L733-V814 HydrophobicContact CD1-CG1 3.55Å; L736-V814 HydrophobicContact CD2-CB 4.48Å; L736-V814 HydrophobicContact CD2-CG1 4.09Å; L736-V814 HydrophobicContact CD2-CG2 4.16Å; L736-V814 HydrophobicContact CG-CG2 4.21Å; L737-V814 HydrophobicContact CD2-CG1 3.95Å; L740-V814 HydrophobicContact CD1-CG2 3.23Å; L753-V814 HydrophobicContact CD1-CG2 4.17Å; D810-V814 PolarHBondContact O-N 3.1Å; I811-V814 WeakPolarHBondContact O-CB 3.42Å; I811-V814 PolarHBondContact O-N 3.4Å; I811-V814 VanDerWaalsContact O-N 3.17Å; W812-V814 VanDerWaalsContact C-N 3.32Å; W812-V814 PolarHBondContact O-N 3.46Å; V814-I817 PolarHBondContact O-N 2.96Å; V814-F818 VanDerWaalsContact O-CB 3.25Å; V814-F818 WeakPolarHBondContact O-CB 3.28Å; V814-F818 PolarHBondContact O-N 2.95Å; V814-F937 HydrophobicContact CG1-CD2 4.31Å; V814-F937 HydrophobicContact CG1-CE1 4.19Å; V814-F937 HydrophobicContact CG1-CE2 3.93Å; V814-F937 HydrophobicContact CG1-CZ 3.87Å
815	G	98.6	Very high	96.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-54.9	-56	174.9	0	0	0	0	0	112.5	I811 W812 G813 I817 F818 T819 F937	I811-G815 PolarHBondContact O-N 3.15Å; W812-G815 WeakPolarHBondContact O-CA 3.42Å; W812-G815 PolarHBondContact O-N 3.39Å; W812-G815 VanDerWaalsContact O-N 3.09Å; G813-G815 VanDerWaalsContact C-N 3.33Å; G813-G815 PolarHBondContact O-N 3Å; G815-I817 VanDerWaalsContact C-N 3.33Å; G815-I817 PolarHBondContact O-N 3.47Å; G815-F818 PolarHBondContact O-N 3.12Å; G815-T819 PolarHBondContact O-N 3.43Å; G815-T819 VanDerWaalsContact O-N 3.11Å; G815-T819 PolarHBondContact O-OG1 3.4Å; G815-F937 VanDerWaalsContact CA-CB 3.47Å
816	C	98.4	Very high	96.9	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.014	9%	0.086	C	C	.	.	H	α-helix	trans	-57.4	-42.7	177.7	-67.5	0	0	0	0	113.2	Y793 W812 G813 T819 E820	Y793-C816 HydrophobicContact CD1-CB 3.79Å; Y793-C816 HydrophobicContact CE1-CB 4.43Å; W812-C816 PolarHBondContact NE1-SG 3.39Å; W812-C816 PolarHBondContact O-N 3.15Å; G813-C816 PolarHBondContact O-N 3Å; C816-T819 PolarHBondContact O-OG1 3.14Å; C816-E820 WeakPolarHBondContact O-CB 3.46Å; C816-E820 PolarHBondContact O-N 3.18Å
817	I	98.7	Very high	97.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-71.4	-36.7	-178.5	-68.3	168.2	0	0	0	110.9	L713 L736 L753 P755 L758 Y793 G813 V814 G815 E820 M821	L713-I817 HydrophobicContact CD2-CG2 3.6Å; L736-I817 HydrophobicContact CD2-CG2 4.24Å; L753-I817 HydrophobicContact CB-CD1 4.13Å; P755-I817 HydrophobicContact CG-CG1 4.4Å; L758-I817 HydrophobicContact CD1-CD1 4.04Å; L758-I817 HydrophobicContact CD1-CG2 3.91Å; Y793-I817 HydrophobicContact CD1-CG1 3.96Å; Y793-I817 HydrophobicContact CE1-CG1 4.01Å; G813-I817 WeakPolarHBondContact O-CB 3.38Å; G813-I817 WeakPolarHBondContact O-CD1 3.39Å; G813-I817 WeakPolarHBondContact O-CG1 3.33Å; G813-I817 PolarHBondContact O-N 3.35Å; V814-I817 PolarHBondContact O-N 2.96Å; G815-I817 VanDerWaalsContact C-N 3.33Å; G815-I817 PolarHBondContact O-N 3.47Å; I817-E820 PolarHBondContact O-N 2.96Å; I817-M821 HydrophobicContact CG2-CE 4.34Å; I817-M821 WeakPolarHBondContact O-CB 3.31Å; I817-M821 VanDerWaalsContact O-CG 3.32Å; I817-M821 WeakPolarHBondContact O-CG 3.4Å; I817-M821 PolarHBondContact O-N 3.21Å
818	F	98.8	Very high	97.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.7	-48.1	176.1	176.1	-143	0	0	0	111.7	V729 L733 V814 G815 M821 I822 A930 L933 A934 F937 Y956	V729-F818 HydrophobicContact CG1-CD2 3.8Å; V729-F818 HydrophobicContact CG1-CE2 3.73Å; L733-F818 HydrophobicContact CD1-CB 4.02Å; L733-F818 HydrophobicContact CD1-CD2 4.35Å; L733-F818 HydrophobicContact CD1-CG 4.22Å; L733-F818 HydrophobicContact CD2-CD1 4.18Å; L733-F818 HydrophobicContact CD2-CD2 3.67Å; L733-F818 HydrophobicContact CD2-CE1 4.23Å; L733-F818 HydrophobicContact CD2-CE2 3.7Å; L733-F818 HydrophobicContact CD2-CG 3.9Å; L733-F818 HydrophobicContact CD2-CZ 3.99Å; L733-F818 HydrophobicContact CG-CD2 4.4Å; V814-F818 VanDerWaalsContact O-CB 3.25Å; V814-F818 WeakPolarHBondContact O-CB 3.28Å; V814-F818 PolarHBondContact O-N 2.95Å; G815-F818 PolarHBondContact O-N 3.12Å; F818-M821 PolarHBondContact O-N 2.75Å; F818-I822 HydrophobicContact CD2-CD1 4Å; F818-I822 HydrophobicContact CD2-CG1 4.36Å; F818-I822 HydrophobicContact CE1-CD1 4.5Å; F818-I822 HydrophobicContact CE2-CD1 3.43Å; F818-I822 VanDerWaalsContact CE2-CD1 3.43Å; F818-I822 HydrophobicContact CE2-CG1 4.14Å; F818-I822 HydrophobicContact CZ-CD1 3.73Å; F818-I822 WeakPolarHBondContact O-CG1 3.16Å; F818-I822 PolarHBondContact O-N 2.86Å; F818-I822 VanDerWaalsContact O-N 3.15Å; F818-A930 WeakPolarHBondContact CE1-O 3.48Å; F818-A930 HydrophobicContact CZ-CB 4.09Å; F818-L933 HydrophobicContact CE1-CB 4.33Å; F818-L933 HydrophobicContact CE1-CD2 4.37Å; F818-L933 HydrophobicContact CE1-CG 4.27Å; F818-A934 HydrophobicContact CD1-CB 3.99Å; F818-A934 HydrophobicContact CE1-CB 3.99Å; F818-F937 HydrophobicContact CD1-CD2 4.04Å; F818-F937 AromaticContact CD1-CE2 3.92Å; F818-F937 HydrophobicContact CD1-CE2 3.92Å; F818-F937 HydrophobicContact CG-CE2 4.48Å; F818-Y956 AromaticContact CE2-CE1 3.73Å; F818-Y956 HydrophobicContact CE2-CE1 3.73Å; F818-Y956 AromaticContact CE2-CZ 3.66Å; F818-Y956 WeakPolarHBondContact CE2-OH 3.37Å; F818-Y956 HydrophobicContact CZ-CD1 4.24Å; F818-Y956 AromaticContact CZ-CE1 3.68Å; F818-Y956 HydrophobicContact CZ-CE1 3.68Å; F818-Y956 HydrophobicContact CZ-CE2 4.12Å; F818-Y956 AromaticContact CZ-CZ 3.62Å
819	T	98.2	Very high	97.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.5	-36.5	177.3	45.3	0	0	0	0	112.2	G815 C816 I822 S823 T827 L917 I921 A934 L938	G815-T819 PolarHBondContact O-N 3.43Å; G815-T819 VanDerWaalsContact O-N 3.11Å; G815-T819 PolarHBondContact O-OG1 3.4Å; C816-T819 PolarHBondContact O-OG1 3.14Å; T819-I822 PolarHBondContact O-N 3.27Å; T819-S823 WeakPolarHBondContact O-CB 3.48Å; T819-S823 PolarHBondContact O-N 3.31Å; T819-S823 PolarHBondContact O-OG 3.29Å; T819-S823 VanDerWaalsContact O-OG 3.08Å; T819-T827 VanDerWaalsContact CB-OG1 3.28Å; T819-T827 WeakPolarHBondContact CB-OG1 3.4Å; T819-T827 WeakPolarHBondContact OG1-CB 3.49Å; T819-T827 PolarHBondContact OG1-OG1 3.4Å; T819-L917 HydrophobicContact CG2-CD2 4.26Å; T819-I921 HydrophobicContact CG2-CD1 3.62Å; T819-A934 HydrophobicContact CG2-CB 4.01Å; T819-L938 HydrophobicContact CG2-CD1 4.35Å
820	E	98.1	Very high	97.4	Very high	14 Å²	14	11.5 Å²	11.5	7%	0.065	8%	0.077	C	C	.	.	H	α-helix	trans	-65.8	-39.5	173.7	-179.4	169.1	174.9	0	0	113.2	I717 Y793 C816 I817 I822 S823 G824 A826	I717-E820 HydrophobicContact CD1-CG 3.97Å; Y793-E820 WeakPolarHBondContact CE1-OE2 3.26Å; Y793-E820 PolarHBondContact OH-OE2 3.2Å; C816-E820 WeakPolarHBondContact O-CB 3.46Å; C816-E820 PolarHBondContact O-N 3.18Å; I817-E820 PolarHBondContact O-N 2.96Å; E820-I822 VanDerWaalsContact C-N 3.29Å; E820-I822 PolarHBondContact O-N 3.1Å; E820-S823 PolarHBondContact O-N 3.45Å; E820-S823 PolarHBondContact O-OG 3.02Å; E820-G824 WeakPolarHBondContact O-CA 3.29Å; E820-G824 PolarHBondContact O-N 3.46Å; E820-A826 VanDerWaalsContact CD-CA 3.47Å; E820-A826 WeakPolarHBondContact OE2-CA 3.46Å
821	M	98.5	Very high	96.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.6	-36.2	171.2	-75.8	-167.7	-67.6	0	0	112.5	L713 I717 G723 I724 V729 F732 L733 I817 F818	L713-M821 HydrophobicContact CD1-CG 3.97Å; L713-M821 HydrophobicContact CD1-SD 3.89Å; L713-M821 HydrophobicContact CD2-CG 3.95Å; L713-M821 HydrophobicContact CD2-SD 3.91Å; L713-M821 HydrophobicContact CG-CG 4.44Å; I717-M821 HydrophobicContact CD1-CG 3.89Å; G723-M821 WeakPolarHBondContact CA-O 3.37Å; I724-M821 HydrophobicContact CD1-CB 4.27Å; I724-M821 HydrophobicContact CD1-CG 4.02Å; I724-M821 HydrophobicContact CD1-SD 4.46Å; I724-M821 PolarHBondContact N-O 2.84Å; V729-M821 HydrophobicContact CG1-CB 4.05Å; V729-M821 HydrophobicContact CG1-CE 4.21Å; V729-M821 HydrophobicContact CG2-CB 4.14Å; F732-M821 HydrophobicContact CB-CE 4.34Å; F732-M821 HydrophobicContact CB-SD 3.68Å; F732-M821 HydrophobicContact CD2-SD 4.17Å; F732-M821 HydrophobicContact CG-SD 4.41Å; L733-M821 HydrophobicContact CB-CE 4.25Å; I817-M821 HydrophobicContact CG2-CE 4.34Å; I817-M821 WeakPolarHBondContact O-CB 3.31Å; I817-M821 VanDerWaalsContact O-CG 3.32Å; I817-M821 WeakPolarHBondContact O-CG 3.4Å; I817-M821 PolarHBondContact O-N 3.21Å; F818-M821 PolarHBondContact O-N 2.75Å
822	I	98.1	Very high	96.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-75.5	-38.6	179.4	-73.9	-175.6	0	0	0	112.3	L726 V729 F818 T819 E820 I921 R923 L924 A930	L726-I822 HydrophobicContact CD2-CG1 4.4Å; V729-I822 HydrophobicContact CG1-CD1 4.41Å; V729-I822 HydrophobicContact CG1-CG1 3.85Å; V729-I822 HydrophobicContact CG2-CG1 4.4Å; F818-I822 HydrophobicContact CD2-CD1 4Å; F818-I822 HydrophobicContact CD2-CG1 4.36Å; F818-I822 HydrophobicContact CE1-CD1 4.5Å; F818-I822 HydrophobicContact CE2-CD1 3.43Å; F818-I822 VanDerWaalsContact CE2-CD1 3.43Å; F818-I822 HydrophobicContact CE2-CG1 4.14Å; F818-I822 HydrophobicContact CZ-CD1 3.73Å; F818-I822 WeakPolarHBondContact O-CG1 3.16Å; F818-I822 PolarHBondContact O-N 2.86Å; F818-I822 VanDerWaalsContact O-N 3.15Å; T819-I822 PolarHBondContact O-N 3.27Å; E820-I822 VanDerWaalsContact C-N 3.29Å; E820-I822 PolarHBondContact O-N 3.1Å; I822-I921 HydrophobicContact CG2-CG2 3.84Å; I822-R923 HydrophobicContact CG2-CB 3.53Å; I822-R923 VanDerWaalsContact O-CD 3.27Å; I822-R923 WeakPolarHBondContact O-CD 3.47Å; I822-R923 PolarHBondContact O-NE 2.66Å; I822-L924 HydrophobicContact CD1-CD2 3.66Å; I822-L924 HydrophobicContact CG2-CD2 4.37Å; I822-L924 HydrophobicContact CG2-CG 4.43Å; I822-A930 HydrophobicContact CD1-CB 4.35Å
823	S	97.1	Very high	95.8	Very high	24 Å²	24	20.1 Å²	20.1	17%	0.168	12%	0.119	C	C	.	.	H	α-helix	trans	-88.1	-33.9	-175.5	66.6	0	0	0	0	113.7	R722 G723 T819 E820 V825	R722-S823 CarbonylContact C-O 3.12Å; R722-S823 VanDerWaalsContact C-O 3.25Å; G723-S823 PolarHBondContact N-O 3.08Å; T819-S823 WeakPolarHBondContact O-CB 3.48Å; T819-S823 PolarHBondContact O-N 3.31Å; T819-S823 PolarHBondContact O-OG 3.29Å; T819-S823 VanDerWaalsContact O-OG 3.08Å; E820-S823 PolarHBondContact O-N 3.45Å; E820-S823 PolarHBondContact O-OG 3.02Å; S823-V825 WeakPolarHBondContact OG-CG2 3.39Å; S823-V825 PolarHBondContact OG-N 3.36Å; S823-V825 PolarHBondContact OG-O 2.79Å
824	G	96.9	Very high	95.4	Very high	11 Å²	11	21.5 Å²	21.5	11%	0.113	13%	0.128	C	C	.	.	S	Bend	trans	86.2	5.2	-165.3	0	0	0	0	0	114.3	E820	E820-G824 WeakPolarHBondContact O-CA 3.29Å; E820-G824 PolarHBondContact O-N 3.46Å
825	V	95.9	Very high	95.2	Very high	95 Å²	95	22.9 Å²	22.9	58%	0.576	14%	0.137	S	C	*	.	S	Bend	trans	-144.2	139.8	-175.6	-67.3	0	0	0	0	112.5	S823 T827	S823-V825 WeakPolarHBondContact OG-CG2 3.39Å; S823-V825 PolarHBondContact OG-N 3.36Å; S823-V825 PolarHBondContact OG-O 2.79Å; V825-T827 PolarHBondContact O-N 2.76Å
826	A	96.3	Very high	95	Very high	22 Å²	22	23.4 Å²	23.4	18%	0.182	14%	0.14	C	C	.	.			trans	-55.8	133.6	179.3	0	0	0	0	0	112.1	W792 E820 P829	W792-A826 HydrophobicContact CD2-CB 4.39Å; W792-A826 HydrophobicContact CE3-CB 3.45Å; W792-A826 VanDerWaalsContact CE3-CB 3.45Å; W792-A826 HydrophobicContact CZ3-CB 3.57Å; E820-A826 VanDerWaalsContact CD-CA 3.47Å; E820-A826 WeakPolarHBondContact OE2-CA 3.46Å; A826-P829 HydrophobicContact CB-CB 4.4Å
827	T	95.5	Very high	94.9	Very high	22 Å²	22	23.3 Å²	23.3	14%	0.135	14%	0.139	C	C	.	.	S	Bend	trans	-78.2	-38.7	-167.2	-57.5	0	0	0	0	113.1	T819 V825 I921	T819-T827 VanDerWaalsContact CB-OG1 3.28Å; T819-T827 WeakPolarHBondContact CB-OG1 3.4Å; T819-T827 WeakPolarHBondContact OG1-CB 3.49Å; T819-T827 PolarHBondContact OG1-OG1 3.4Å; V825-T827 PolarHBondContact O-N 2.76Å; T827-I921 HydrophobicContact CG2-CD1 4.23Å
828	F	97	Very high	94.8	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	14%	0.139	C	C	.	.	S	Bend	trans	-128.7	74.2	177.1	-53.4	-61	0	0	0	110.8	W792 W812 G830 Q837 K840 I841 V844 M845 L938	W792-F828 WeakPolarHBondContact CA-O 3.25Å; W792-F828 WeakPolarHBondContact CB-O 3.46Å; W812-F828 HydrophobicContact CH2-CE2 4.34Å; W812-F828 HydrophobicContact CZ2-CD2 4.08Å; W812-F828 AromaticContact CZ2-CE2 3.74Å; W812-F828 HydrophobicContact CZ2-CE2 3.74Å; F828-G830 PolarHBondContact O-N 2.69Å; F828-Q837 PolarHBondContact O-NE2 3.5Å; F828-Q837 VanDerWaalsContact O-NE2 3.12Å; F828-Q837 PolarHBondContact O-OE1 2.81Å; F828-K840 HydrophobicContact CB-CB 4.13Å; F828-K840 HydrophobicContact CD1-CB 4.12Å; F828-I841 HydrophobicContact CB-CG1 4.25Å; F828-I841 HydrophobicContact CD1-CG1 4.08Å; F828-I841 HydrophobicContact CD2-CG1 4.08Å; F828-I841 HydrophobicContact CE1-CG1 4.46Å; F828-I841 HydrophobicContact CE2-CG1 4.47Å; F828-I841 HydrophobicContact CG-CG1 3.88Å; F828-V844 HydrophobicContact CE1-CB 4Å; F828-V844 HydrophobicContact CE1-CG1 4.49Å; F828-V844 HydrophobicContact CE1-CG2 3.94Å; F828-M845 HydrophobicContact CZ-CG 4.25Å; F828-M845 HydrophobicContact CZ-SD 4.45Å; F828-L938 HydrophobicContact CE2-CD1 4.28Å; F828-L938 HydrophobicContact CE2-CD2 4.07Å; F828-L938 HydrophobicContact CZ-CD1 4.4Å
829	P	95.7	Very high	94.6	Very high	40 Å²	40	24.4 Å²	24.4	26%	0.26	15%	0.145	S	C	.	.			trans	-79.3	74	-174	32	-35.9	0	0	0	113.5	W792 A826 S831 K840	W792-P829 HydrophobicContact CD2-CB 4.19Å; W792-P829 HydrophobicContact CH2-CB 4.49Å; W792-P829 HydrophobicContact CZ2-CB 4.12Å; A826-P829 HydrophobicContact CB-CB 4.4Å; P829-S831 PolarHBondContact O-N 2.77Å; P829-K840 HydrophobicContact CG-CD 4.13Å; P829-K840 WeakPolarHBondContact O-CE 3.17Å; P829-K840 PolarHBondContact O-NZ 3.17Å
830	G	93.5	Very high	94.5	Very high	5 Å²	5	24.4 Å²	24.4	5%	0.052	15%	0.145	C	C	.	.			trans	-55.3	126.8	172.2	0	0	0	0	0	112.8	W792 F828	W792-G830 VanDerWaalsContact CD1-O 3.24Å; W792-G830 PolarHBondContact NE1-O 2.83Å; F828-G830 PolarHBondContact O-N 2.69Å
831	S	85.9	Confident	94.5	Very high	18 Å²	18	23.7 Å²	23.7	13%	0.126	14%	0.141	C	C	.	.			trans	-116.4	-24.4	-164.3	72.7	0	0	0	0	113.4	P829 D836 S1140 A1142	P829-S831 PolarHBondContact O-N 2.77Å; S831-D836 WeakPolarHBondContact CA-OD2 3.41Å; S831-D836 WeakPolarHBondContact CB-OD2 3.44Å; S831-D836 PolarHBondContact N-OD2 3.38Å; S831-D836 PolarHBondContact OG-OD1 3.49Å; S831-D836 PolarHBondContact OG-OD2 3.24Å; S831-S1140 WeakPolarHBondContact O-CB 3.27Å; S831-S1140 PolarHBondContact O-OG 3.14Å; S831-A1142 WeakPolarHBondContact OG-CB 3.47Å
832	K	83.4	Confident	94.4	Very high	108 Å²	108	23.7 Å²	23.7	47%	0.47	14%	0.141	S	C	.	.	S	Bend	trans	-118.3	-57.8	-173.2	-61.4	153.9	-155.2	141.9	0	112	D836	K832-D836 HydrophobicContact CB-CB 3.91Å; K832-D836 HydrophobicContact CD-CB 4.17Å; K832-D836 WeakPolarHBondContact CD-OD1 3.33Å; K832-D836 WeakPolarHBondContact CE-OD1 3.35Å; K832-D836 HydrophobicContact CG-CB 4.46Å; K832-D836 PolarHBondContact N-OD2 3.14Å; K832-D836 IonicContact NZ-OD1 2.72Å; K832-D836 PolarHBondContact NZ-OD1 3.05Å
833	D	89.8	Confident	94.3	Very high	58 Å²	58	25.9 Å²	25.9	31%	0.31	15%	0.15	S	C	.	.	S	Bend	trans	-160.8	-176.4	-166.3	54.4	56.5	0	0	0	110.5	V835 D836 Q837	D833-V835 VanDerWaalsContact C-N 3.26Å; D833-V835 PolarHBondContact O-N 2.67Å; D833-V835 VanDerWaalsContact OD1-CA 3.31Å; D833-V835 WeakPolarHBondContact OD1-CA 3.31Å; D833-V835 VanDerWaalsContact OD1-CB 3.25Å; D833-V835 WeakPolarHBondContact OD1-CB 3.38Å; D833-V835 PolarHBondContact OD1-N 3.2Å; D833-D836 PolarHBondContact OD1-N 3.17Å; D833-Q837 PolarHBondContact O-N 3.46Å
834	S	91.4	Very high	94.2	Very high	32 Å²	32	25.1 Å²	25.1	22%	0.224	14%	0.144	C	C	.	.	H	α-helix	trans	-66.7	-22.1	177.4	53.5	0	0	0	0	114.4	L838	S834-L838 WeakPolarHBondContact O-CG 3.46Å; S834-L838 PolarHBondContact O-N 3Å
835	V	93.2	Very high	94.2	Very high	29 Å²	29	25.4 Å²	25.4	18%	0.176	14%	0.143	C	C	.	.	H	α-helix	trans	-79.1	-45.3	179	-168.7	0	0	0	0	109.4	D833 Q837 L838 D839 L865 L909	D833-V835 VanDerWaalsContact C-N 3.26Å; D833-V835 PolarHBondContact O-N 2.67Å; D833-V835 VanDerWaalsContact OD1-CA 3.31Å; D833-V835 WeakPolarHBondContact OD1-CA 3.31Å; D833-V835 VanDerWaalsContact OD1-CB 3.25Å; D833-V835 WeakPolarHBondContact OD1-CB 3.38Å; D833-V835 PolarHBondContact OD1-N 3.2Å; V835-Q837 PolarHBondContact O-N 3.08Å; V835-L838 PolarHBondContact O-N 2.84Å; V835-D839 VanDerWaalsContact O-CB 3.31Å; V835-D839 WeakPolarHBondContact O-CB 3.28Å; V835-D839 PolarHBondContact O-N 2.91Å; V835-L865 HydrophobicContact CG1-CD2 4.45Å; V835-L865 HydrophobicContact CG2-CD1 4.46Å; V835-L865 HydrophobicContact CG2-CD2 3.65Å; V835-L909 HydrophobicContact CG1-CD2 3.58Å; V835-L909 HydrophobicContact CG1-CG 3.97Å
836	D	94.4	Very high	94.3	Very high	11 Å²	11	21.1 Å²	21.1	6%	0.059	12%	0.118	C	C	.	.	H	α-helix	trans	-62.2	-19	171.3	-175.4	86.4	0	0	0	113	S831 K832 D833 K840	S831-D836 WeakPolarHBondContact CA-OD2 3.41Å; S831-D836 WeakPolarHBondContact CB-OD2 3.44Å; S831-D836 PolarHBondContact N-OD2 3.38Å; S831-D836 PolarHBondContact OG-OD1 3.49Å; S831-D836 PolarHBondContact OG-OD2 3.24Å; K832-D836 HydrophobicContact CB-CB 3.91Å; K832-D836 HydrophobicContact CD-CB 4.17Å; K832-D836 WeakPolarHBondContact CD-OD1 3.33Å; K832-D836 WeakPolarHBondContact CE-OD1 3.35Å; K832-D836 HydrophobicContact CG-CB 4.46Å; K832-D836 PolarHBondContact N-OD2 3.14Å; K832-D836 IonicContact NZ-OD1 2.72Å; K832-D836 PolarHBondContact NZ-OD1 3.05Å; D833-D836 PolarHBondContact OD1-N 3.17Å; D836-K840 VanDerWaalsContact CG-NZ 3.29Å; D836-K840 WeakPolarHBondContact O-CG 3.41Å; D836-K840 PolarHBondContact O-NZ 2.88Å; D836-K840 IonicContact OD1-NZ 3.06Å; D836-K840 IonicContact OD2-NZ 2.74Å; D836-K840 PolarHBondContact OD2-NZ 2.73Å
837	Q	96.1	Very high	94.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-84.2	-47.3	169.3	-178.5	67.3	23.3	0	0	112.3	L791 W792 L799 F828 D833 V835 D839 K840 I841	L791-Q837 HydrophobicContact CD1-CB 3.81Å; L791-Q837 HydrophobicContact CD1-CG 3.95Å; L791-Q837 HydrophobicContact CD2-CB 4.43Å; L791-Q837 HydrophobicContact CG-CB 4.04Å; L791-Q837 HydrophobicContact CG-CG 4.15Å; L791-Q837 PolarHBondContact O-NE2 3.44Å; W792-Q837 PolarHBondContact O-NE2 3.07Å; L799-Q837 HydrophobicContact CD1-CB 4.25Å; L799-Q837 HydrophobicContact CD1-CG 3.49Å; L799-Q837 VanDerWaalsContact CD1-CG 3.49Å; L799-Q837 HydrophobicContact CD2-CB 4.15Å; L799-Q837 HydrophobicContact CD2-CG 4.03Å; L799-Q837 HydrophobicContact CG-CG 4.43Å; F828-Q837 PolarHBondContact O-NE2 3.5Å; F828-Q837 VanDerWaalsContact O-NE2 3.12Å; F828-Q837 PolarHBondContact O-OE1 2.81Å; D833-Q837 PolarHBondContact O-N 3.46Å; V835-Q837 PolarHBondContact O-N 3.08Å; Q837-D839 VanDerWaalsContact C-N 3.32Å; Q837-D839 PolarHBondContact O-N 2.8Å; Q837-K840 WeakPolarHBondContact O-CB 3.3Å; Q837-K840 PolarHBondContact O-N 3.39Å; Q837-K840 VanDerWaalsContact O-N 3.14Å; Q837-I841 HydrophobicContact CG-CD1 4.27Å; Q837-I841 WeakPolarHBondContact O-CG1 3.45Å; Q837-I841 PolarHBondContact O-N 3.28Å
838	L	96.7	Very high	94.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.5	-41.7	177.8	-78.1	168.4	0	0	0	112	P796 L799 L800 S834 V835 K840 I841 F842 L865 L909	P796-L838 HydrophobicContact CB-CD2 4.13Å; L799-L838 HydrophobicContact CB-CD1 4.06Å; L799-L838 HydrophobicContact CB-CD2 3.62Å; L799-L838 HydrophobicContact CB-CG 3.74Å; L799-L838 HydrophobicContact CD1-CD2 4Å; L799-L838 HydrophobicContact CD1-CG 4.18Å; L799-L838 HydrophobicContact CG-CD2 4.43Å; L799-L838 HydrophobicContact CG-CG 4.45Å; L800-L838 HydrophobicContact CD2-CD1 3.94Å; L800-L838 HydrophobicContact CD2-CD2 4.49Å; L800-L838 HydrophobicContact CG-CD1 4.31Å; L800-L838 HydrophobicContact CG-CD2 4.16Å; S834-L838 WeakPolarHBondContact O-CG 3.46Å; S834-L838 PolarHBondContact O-N 3Å; V835-L838 PolarHBondContact O-N 2.84Å; L838-K840 VanDerWaalsContact C-N 3.27Å; L838-K840 PolarHBondContact O-N 2.96Å; L838-I841 PolarHBondContact O-N 3.36Å; L838-I841 VanDerWaalsContact O-N 3.11Å; L838-F842 HydrophobicContact CB-CE2 4.22Å; L838-F842 HydrophobicContact CB-CZ 4.46Å; L838-F842 HydrophobicContact CD2-CE1 4.18Å; L838-F842 HydrophobicContact CD2-CE2 4.28Å; L838-F842 HydrophobicContact CD2-CZ 3.72Å; L838-F842 WeakPolarHBondContact O-CG 3.21Å; L838-F842 PolarHBondContact O-N 3.13Å; L838-L865 HydrophobicContact CD1-CD1 3.69Å; L838-L909 HydrophobicContact CB-CD1 3.77Å; L838-L909 HydrophobicContact CB-CD2 4.44Å; L838-L909 HydrophobicContact CD1-CD1 4.12Å
839	D	95.5	Very high	94.1	Very high	22 Å²	22	20.3 Å²	20.3	12%	0.118	11%	0.111	C	C	.	.	H	α-helix	trans	-54.8	-41.3	173.6	-176.7	51.3	0	0	0	111.8	V835 Q837 I841 F842 R843 L909 Y912	V835-D839 VanDerWaalsContact O-CB 3.31Å; V835-D839 WeakPolarHBondContact O-CB 3.28Å; V835-D839 PolarHBondContact O-N 2.91Å; Q837-D839 VanDerWaalsContact C-N 3.32Å; Q837-D839 PolarHBondContact O-N 2.8Å; D839-I841 PolarHBondContact O-N 3.17Å; D839-F842 PolarHBondContact O-N 3.09Å; D839-R843 WeakPolarHBondContact O-CB 3.39Å; D839-R843 WeakPolarHBondContact O-CD 3.44Å; D839-R843 WeakPolarHBondContact O-CG 2.99Å; D839-R843 PolarHBondContact O-N 3.19Å; D839-R843 IonicContact OD1-CZ 3.8Å; D839-R843 IonicContact OD1-NE 3.4Å; D839-R843 PolarHBondContact OD1-NE 2.87Å; D839-R843 IonicContact OD1-NH2 3.97Å; D839-R843 IonicContact OD2-CZ 2.67Å; D839-R843 VanDerWaalsContact OD2-CZ 3.28Å; D839-R843 IonicContact OD2-NE 3.53Å; D839-R843 PolarHBondContact OD2-NE 3.4Å; D839-R843 IonicContact OD2-NH2 3.95Å; D839-L909 HydrophobicContact CB-CD2 3.74Å; D839-Y912 WeakPolarHBondContact OD1-CE2 3.31Å; D839-Y912 PolarHBondContact OD1-OH 3.3Å
840	K	96.2	Very high	94	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64	-41.7	176	-49.8	-138.3	155.9	43.6	0	113	F828 P829 D836 Q837 L838 A1142 Y1143	F828-K840 HydrophobicContact CB-CB 4.13Å; F828-K840 HydrophobicContact CD1-CB 4.12Å; P829-K840 HydrophobicContact CG-CD 4.13Å; P829-K840 WeakPolarHBondContact O-CE 3.17Å; P829-K840 PolarHBondContact O-NZ 3.17Å; D836-K840 VanDerWaalsContact CG-NZ 3.29Å; D836-K840 WeakPolarHBondContact O-CG 3.41Å; D836-K840 PolarHBondContact O-NZ 2.88Å; D836-K840 IonicContact OD1-NZ 3.06Å; D836-K840 IonicContact OD2-NZ 2.74Å; D836-K840 PolarHBondContact OD2-NZ 2.73Å; Q837-K840 WeakPolarHBondContact O-CB 3.3Å; Q837-K840 PolarHBondContact O-N 3.39Å; Q837-K840 VanDerWaalsContact O-N 3.14Å; L838-K840 VanDerWaalsContact C-N 3.27Å; L838-K840 PolarHBondContact O-N 2.96Å; K840-A1142 VanDerWaalsContact CE-CB 3.4Å; K840-Y1143 VanDerWaalsContact CA-OH 3.27Å; K840-Y1143 WeakPolarHBondContact CA-OH 3.33Å; K840-Y1143 HydrophobicContact CB-CE2 4.17Å; K840-Y1143 WeakPolarHBondContact CB-OH 2.97Å; K840-Y1143 HydrophobicContact CD-CD2 4.37Å; K840-Y1143 HydrophobicContact CD-CE1 3.98Å; K840-Y1143 HydrophobicContact CD-CE2 3.69Å; K840-Y1143 VanDerWaalsContact CD-CZ 3.49Å; K840-Y1143 VanDerWaalsContact CE-CZ 3.44Å; K840-Y1143 HydrophobicContact CG-CD2 4.43Å; K840-Y1143 HydrophobicContact CG-CE2 3.53Å
841	I	97.6	Very high	93.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.1	-47.2	-177.9	-64.3	168.9	0	0	0	109	P796 L799 W812 F828 Q837 L838 D839 V844 M845 L940	P796-I841 HydrophobicContact CB-CD1 4.49Å; L799-I841 HydrophobicContact CD1-CD1 3.7Å; W812-I841 HydrophobicContact CH2-CG2 3.62Å; W812-I841 HydrophobicContact CZ2-CD1 3.81Å; W812-I841 HydrophobicContact CZ2-CG1 3.97Å; W812-I841 HydrophobicContact CZ2-CG2 3.88Å; F828-I841 HydrophobicContact CB-CG1 4.25Å; F828-I841 HydrophobicContact CD1-CG1 4.08Å; F828-I841 HydrophobicContact CD2-CG1 4.08Å; F828-I841 HydrophobicContact CE1-CG1 4.46Å; F828-I841 HydrophobicContact CE2-CG1 4.47Å; F828-I841 HydrophobicContact CG-CG1 3.88Å; Q837-I841 HydrophobicContact CG-CD1 4.27Å; Q837-I841 WeakPolarHBondContact O-CG1 3.45Å; Q837-I841 PolarHBondContact O-N 3.28Å; L838-I841 PolarHBondContact O-N 3.36Å; L838-I841 VanDerWaalsContact O-N 3.11Å; D839-I841 PolarHBondContact O-N 3.17Å; I841-V844 PolarHBondContact O-N 3.14Å; I841-M845 HydrophobicContact CG2-CB 4.46Å; I841-M845 HydrophobicContact CG2-CG 4.13Å; I841-M845 WeakPolarHBondContact O-CB 3.41Å; I841-M845 WeakPolarHBondContact O-CG 3.23Å; I841-M845 PolarHBondContact O-N 2.86Å; I841-L940 HydrophobicContact CG2-CD2 3.78Å
842	F	97	Very high	94.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-72.4	-31.1	-176.1	-58.9	-18.2	0	0	0	113.2	P796 L800 L838 D839 V844 G846 T847 P848 L866 L909 Y912	P796-F842 HydrophobicContact CB-CE1 4.39Å; L800-F842 HydrophobicContact CD1-CZ 4.47Å; L838-F842 HydrophobicContact CB-CE2 4.22Å; L838-F842 HydrophobicContact CB-CZ 4.46Å; L838-F842 HydrophobicContact CD2-CE1 4.18Å; L838-F842 HydrophobicContact CD2-CE2 4.28Å; L838-F842 HydrophobicContact CD2-CZ 3.72Å; L838-F842 WeakPolarHBondContact O-CG 3.21Å; L838-F842 PolarHBondContact O-N 3.13Å; D839-F842 PolarHBondContact O-N 3.09Å; F842-V844 PolarHBondContact O-N 3.48Å; F842-V844 VanDerWaalsContact O-N 3.1Å; F842-G846 WeakPolarHBondContact CA-O 3.32Å; F842-G846 WeakPolarHBondContact CD1-O 3.42Å; F842-G846 CarbonylContact O-C 3.51Å; F842-G846 WeakPolarHBondContact O-CA 3.35Å; F842-G846 PolarHBondContact O-N 2.83Å; F842-T847 HydrophobicContact CD2-CG2 4.22Å; F842-P848 HydrophobicContact CE1-CG 3.79Å; F842-P848 HydrophobicContact CE2-CG 4.43Å; F842-P848 VanDerWaalsContact CZ-CD 3.42Å; F842-P848 HydrophobicContact CZ-CG 3.72Å; F842-L866 HydrophobicContact CE2-CD1 4.38Å; F842-L909 HydrophobicContact CD2-CD1 4.11Å; F842-L909 HydrophobicContact CE2-CD1 3.76Å; F842-Y912 HydrophobicContact CB-CD2 3.79Å; F842-Y912 HydrophobicContact CB-CE2 4.42Å; F842-Y912 VanDerWaalsContact O-CB 3.28Å; F842-Y912 WeakPolarHBondContact O-CB 3.4Å
843	R	95.6	Very high	94.8	Very high	45 Å²	45	27.9 Å²	27.9	17%	0.17	15%	0.146	C	C	.	.	H	α-helix	trans	-57.3	-21.3	170.9	-77.9	166.1	-176.1	-125.2	-23	114.5	D839 Y912 E1144	D839-R843 WeakPolarHBondContact O-CB 3.39Å; D839-R843 WeakPolarHBondContact O-CD 3.44Å; D839-R843 WeakPolarHBondContact O-CG 2.99Å; D839-R843 PolarHBondContact O-N 3.19Å; D839-R843 IonicContact OD1-CZ 3.8Å; D839-R843 IonicContact OD1-NE 3.4Å; D839-R843 PolarHBondContact OD1-NE 2.87Å; D839-R843 IonicContact OD1-NH2 3.97Å; D839-R843 IonicContact OD2-CZ 2.67Å; D839-R843 VanDerWaalsContact OD2-CZ 3.28Å; D839-R843 IonicContact OD2-NE 3.53Å; D839-R843 PolarHBondContact OD2-NE 3.4Å; D839-R843 IonicContact OD2-NH2 3.95Å; R843-Y912 HydrophobicContact CG-CD1 4.09Å; R843-Y912 HydrophobicContact CG-CD2 4.16Å; R843-Y912 HydrophobicContact CG-CE1 3.66Å; R843-Y912 HydrophobicContact CG-CE2 3.72Å; R843-Y912 HydrophobicContact CG-CG 4.32Å; R843-Y912 VanDerWaalsContact CG-CZ 3.44Å; R843-Y912 PolarHBondContact NE-OH 2.81Å; R843-Y912 PolarHBondContact NH2-OH 3.35Å; R843-E1144 IonicContact CZ-OE1 2.72Å; R843-E1144 IonicContact CZ-OE2 2.66Å; R843-E1144 IonicContact NH1-OE1 2.9Å; R843-E1144 PolarHBondContact NH1-OE1 3.11Å; R843-E1144 IonicContact NH1-OE2 2.58Å; R843-E1144 PolarHBondContact NH1-OE2 2.98Å
844	V	95.4	Very high	95	Very high	9 Å²	9	28.6 Å²	28.6	6%	0.055	15%	0.154	C	C	.	.	H	α-helix	trans	-108.1	-54.8	178.9	-178.4	0	0	0	0	111.1	F828 I841 F842 G846 N914 R915 L917 V920	F828-V844 HydrophobicContact CE1-CB 4Å; F828-V844 HydrophobicContact CE1-CG1 4.49Å; F828-V844 HydrophobicContact CE1-CG2 3.94Å; I841-V844 PolarHBondContact O-N 3.14Å; F842-V844 PolarHBondContact O-N 3.48Å; F842-V844 VanDerWaalsContact O-N 3.1Å; V844-G846 VanDerWaalsContact C-N 3.34Å; V844-G846 PolarHBondContact O-N 2.91Å; V844-N914 PolarHBondContact O-OD1 3.04Å; V844-R915 PolarHBondContact O-N 3.21Å; V844-L917 HydrophobicContact CG1-CD1 3.57Å; V844-V920 HydrophobicContact CG1-CG2 4.09Å; V844-V920 HydrophobicContact CG2-CG1 4.35Å; V844-V920 HydrophobicContact CG2-CG2 4.21Å
845	M	97	Very high	95.1	Very high	16 Å²	16	28.1 Å²	28.1	8%	0.079	15%	0.154	C	C	.	.	H	α-helix	trans	-85.7	-4	-171.7	-54.5	-54.5	-49.7	0	0	114	F828 I841 N914 L935 L938 L940	F828-M845 HydrophobicContact CZ-CG 4.25Å; F828-M845 HydrophobicContact CZ-SD 4.45Å; I841-M845 HydrophobicContact CG2-CB 4.46Å; I841-M845 HydrophobicContact CG2-CG 4.13Å; I841-M845 WeakPolarHBondContact O-CB 3.41Å; I841-M845 WeakPolarHBondContact O-CG 3.23Å; I841-M845 PolarHBondContact O-N 2.86Å; M845-N914 PolarHBondContact O-OD1 3.07Å; M845-L935 HydrophobicContact CE-CD2 3.89Å; M845-L938 HydrophobicContact CE-CB 4.17Å; M845-L938 WeakPolarHBondContact CE-O 3.5Å; M845-L938 HydrophobicContact SD-CB 4.2Å; M845-L940 HydrophobicContact CB-CD1 4.46Å; M845-L940 HydrophobicContact CB-CD2 3.88Å; M845-L940 HydrophobicContact CB-CG 4.33Å; M845-L940 HydrophobicContact CG-CD2 4.31Å
846	G	96.2	Very high	95.2	Very high	5 Å²	5	26.8 Å²	26.8	5%	0.052	15%	0.146	C	C	.	.			trans	81.9	158.5	-168.5	0	0	0	0	0	113.4	F842 V844 Y912	F842-G846 WeakPolarHBondContact CA-O 3.32Å; F842-G846 WeakPolarHBondContact CD1-O 3.42Å; F842-G846 CarbonylContact O-C 3.51Å; F842-G846 WeakPolarHBondContact O-CA 3.35Å; F842-G846 PolarHBondContact O-N 2.83Å; V844-G846 VanDerWaalsContact C-N 3.34Å; V844-G846 PolarHBondContact O-N 2.91Å; G846-Y912 CarbonylContact C-O 2.93Å; G846-Y912 VanDerWaalsContact CA-O 3.25Å; G846-Y912 WeakPolarHBondContact CA-O 3.29Å
847	T	96.7	Very high	95.1	Very high	8 Å²	8	28 Å²	28	5%	0.049	16%	0.155	C	C	.	.			trans	-81.1	125.2	172.4	-61.4	0	0	0	0	109.3	F842 L866 H910 F911 Y912	F842-T847 HydrophobicContact CD2-CG2 4.22Å; T847-L866 HydrophobicContact CG2-CD1 4.21Å; T847-L866 HydrophobicContact CG2-CD2 3.55Å; T847-H910 PolarHBondContact OG1-O 2.95Å; T847-F911 HydrophobicContact CG2-CD2 3.9Å; T847-F911 HydrophobicContact CG2-CE2 4.36Å; T847-Y912 PolarHBondContact N-O 3.26Å; T847-Y912 PolarHBondContact OG1-N 2.89Å
848	P	95.9	Very high	94.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	18%	0.184	C	C	.	.			trans	-71	144.8	-176.6	28.3	-34.4	0	0	0	112.2	F842 W853 V856 Y862 L940	F842-P848 HydrophobicContact CE1-CG 3.79Å; F842-P848 HydrophobicContact CE2-CG 4.43Å; F842-P848 VanDerWaalsContact CZ-CD 3.42Å; F842-P848 HydrophobicContact CZ-CG 3.72Å; P848-W853 HydrophobicContact CB-CB 4.35Å; P848-W853 HydrophobicContact CB-CE3 3.87Å; P848-W853 HydrophobicContact CG-CE3 4.24Å; P848-V856 HydrophobicContact CB-CG2 4.18Å; P848-V856 HydrophobicContact CG-CG2 4.18Å; P848-Y862 PolarHBondContact O-OH 3.42Å; P848-L940 HydrophobicContact CB-CD1 3.94Å; P848-L940 HydrophobicContact CG-CD1 4.3Å
849	C	93.1	Very high	94.8	Very high	20 Å²	20	36.1 Å²	36.1	14%	0.135	19%	0.192	C	C	.	.			trans	-131.3	172.4	172.9	60.1	0	0	0	0	108.9	E851 T852 W853	C849-E851 PolarHBondContact O-N 3.36Å; C849-T852 PolarHBondContact N-OG1 2.91Å; C849-T852 PolarHBondContact O-N 3.18Å; C849-T852 PolarHBondContact O-OG1 2.81Å; C849-T852 PolarHBondContact SG-OG1 2.81Å; C849-W853 CarbonylContact O-C 3.47Å; C849-W853 PolarHBondContact O-N 3.42Å
850	E	93.3	Very high	94.6	Very high	78 Å²	78	39.6 Å²	39.6	36%	0.364	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-28.2	-179.6	-71.8	-66.4	138.7	0	0	113.9	W853 P854 G855 V856 S857	E850-W853 CarbonylContact O-C 3.19Å; E850-P854 VanDerWaalsContact O-CA 3.23Å; E850-P854 WeakPolarHBondContact O-CA 3.36Å; E850-P854 WeakPolarHBondContact O-CD 3.3Å; E850-P854 WeakPolarHBondContact O-CG 3.44Å; E850-P854 VanDerWaalsContact O-N 3.1Å; E850-G855 WeakPolarHBondContact OE2-CA 3.34Å; E850-G855 PolarHBondContact OE2-N 3.06Å; E850-V856 PolarHBondContact OE1-N 3.15Å; E850-V856 VanDerWaalsContact OE1-N 3.16Å; E850-S857 WeakPolarHBondContact OE1-CB 3.21Å; E850-S857 PolarHBondContact OE1-N 3.36Å; E850-S857 PolarHBondContact OE1-OG 3.48Å
851	E	91.8	Very high	94.4	Very high	162 Å²	162	42 Å²	42	76%	0.757	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-51.3	175.3	-176.9	-165.5	155.7	0	0	111.6	C849	C849-E851 PolarHBondContact O-N 3.36Å
852	T	91.9	Very high	94.2	Very high	74 Å²	74	43.5 Å²	43.5	45%	0.454	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-31.4	-179.6	50.4	0	0	0	0	112.6	C849 K944	C849-T852 PolarHBondContact N-OG1 2.91Å; C849-T852 PolarHBondContact O-N 3.18Å; C849-T852 PolarHBondContact O-OG1 2.81Å; C849-T852 PolarHBondContact SG-OG1 2.81Å; T852-K944 PolarHBondContact O-NZ 2.88Å
853	W	95.3	Very high	93.7	Very high	15 Å²	15	49.7 Å²	49.7	6%	0.057	26%	0.259	C	S	.	.	S	Bend	trans	-144.1	92.2	178.5	-177.4	-8.2	0	0	0	110.7	P796 D797 L800 P848 C849 E850 G855 V856 L859 L940 Q941 P942	P796-W853 HydrophobicContact CB-CZ3 4.43Å; D797-W853 HydrophobicContact CB-CH2 3.72Å; D797-W853 HydrophobicContact CB-CZ2 3.93Å; L800-W853 HydrophobicContact CD1-CH2 4.21Å; L800-W853 HydrophobicContact CD1-CZ3 4.1Å; P848-W853 HydrophobicContact CB-CB 4.35Å; P848-W853 HydrophobicContact CB-CE3 3.87Å; P848-W853 HydrophobicContact CG-CE3 4.24Å; C849-W853 CarbonylContact O-C 3.47Å; C849-W853 PolarHBondContact O-N 3.42Å; E850-W853 CarbonylContact O-C 3.19Å; W853-G855 PolarHBondContact O-N 3.01Å; W853-V856 HydrophobicContact CB-CB 4.08Å; W853-V856 HydrophobicContact CB-CG1 4.49Å; W853-V856 HydrophobicContact CD2-CB 3.89Å; W853-V856 HydrophobicContact CD2-CG2 3.69Å; W853-V856 HydrophobicContact CE3-CB 4.28Å; W853-V856 HydrophobicContact CE3-CG2 3.61Å; W853-V856 HydrophobicContact CG-CB 3.81Å; W853-V856 HydrophobicContact CG-CG2 4.14Å; W853-V856 HydrophobicContact CH2-CG2 4.39Å; W853-V856 HydrophobicContact CZ2-CG2 4.47Å; W853-V856 HydrophobicContact CZ3-CG2 3.98Å; W853-V856 VanDerWaalsContact O-CB 3.31Å; W853-V856 WeakPolarHBondContact O-CB 3.36Å; W853-V856 WeakPolarHBondContact O-CG1 3.34Å; W853-V856 PolarHBondContact O-N 2.92Å; W853-V856 VanDerWaalsContact O-N 3.16Å; W853-L859 HydrophobicContact CH2-CD1 3.76Å; W853-L859 HydrophobicContact CZ2-CD1 3.59Å; W853-L940 HydrophobicContact CE3-CB 3.7Å; W853-L940 HydrophobicContact CZ3-CB 3.94Å; W853-Q941 HydrophobicContact CB-CB 4.46Å; W853-Q941 HydrophobicContact CD2-CB 4.14Å; W853-Q941 HydrophobicContact CG-CB 3.87Å; W853-Q941 HydrophobicContact CG-CG 4.22Å; W853-P942 HydrophobicContact CZ2-CG 4.37Å
854	P	94.7	Very high	93.3	Very high	74 Å²	74	51.4 Å²	51.4	48%	0.481	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	131.5	175	-28.1	35.6	0	0	0	112.7	E850	E850-P854 VanDerWaalsContact O-CA 3.23Å; E850-P854 WeakPolarHBondContact O-CA 3.36Å; E850-P854 WeakPolarHBondContact O-CD 3.3Å; E850-P854 WeakPolarHBondContact O-CG 3.44Å; E850-P854 VanDerWaalsContact O-N 3.1Å
855	G	93.8	Very high	93	Very high	22 Å²	22	52 Å²	52	23%	0.227	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	82	4.8	-178	0	0	0	0	0	115.6	E850 W853 S857 K858	E850-G855 WeakPolarHBondContact OE2-CA 3.34Å; E850-G855 PolarHBondContact OE2-N 3.06Å; W853-G855 PolarHBondContact O-N 3.01Å; G855-S857 VanDerWaalsContact C-N 3.26Å; G855-S857 PolarHBondContact O-N 3.21Å; G855-K858 VanDerWaalsContact O-CB 3.31Å; G855-K858 WeakPolarHBondContact O-CB 3.5Å; G855-K858 PolarHBondContact O-N 3.07Å
856	V	94.6	Very high	92.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-60.9	-33.3	-178.4	71.8	0	0	0	0	112.9	L800 P848 E850 W853 K858 L859 Y862	L800-V856 HydrophobicContact CD1-CG2 4.12Å; P848-V856 HydrophobicContact CB-CG2 4.18Å; P848-V856 HydrophobicContact CG-CG2 4.18Å; E850-V856 PolarHBondContact OE1-N 3.15Å; E850-V856 VanDerWaalsContact OE1-N 3.16Å; W853-V856 HydrophobicContact CB-CB 4.08Å; W853-V856 HydrophobicContact CB-CG1 4.49Å; W853-V856 HydrophobicContact CD2-CB 3.89Å; W853-V856 HydrophobicContact CD2-CG2 3.69Å; W853-V856 HydrophobicContact CE3-CB 4.28Å; W853-V856 HydrophobicContact CE3-CG2 3.61Å; W853-V856 HydrophobicContact CG-CB 3.81Å; W853-V856 HydrophobicContact CG-CG2 4.14Å; W853-V856 HydrophobicContact CH2-CG2 4.39Å; W853-V856 HydrophobicContact CZ2-CG2 4.47Å; W853-V856 HydrophobicContact CZ3-CG2 3.98Å; W853-V856 VanDerWaalsContact O-CB 3.31Å; W853-V856 WeakPolarHBondContact O-CB 3.36Å; W853-V856 WeakPolarHBondContact O-CG1 3.34Å; W853-V856 PolarHBondContact O-N 2.92Å; W853-V856 VanDerWaalsContact O-N 3.16Å; V856-K858 PolarHBondContact O-N 3.29Å; V856-L859 HydrophobicContact CG2-CD1 4.06Å; V856-L859 WeakPolarHBondContact O-CB 3.33Å; V856-L859 PolarHBondContact O-N 3.03Å; V856-L859 VanDerWaalsContact O-N 3.1Å; V856-Y862 HydrophobicContact CB-CD2 4.4Å; V856-Y862 HydrophobicContact CB-CE2 4.31Å; V856-Y862 HydrophobicContact CG1-CD2 4.18Å; V856-Y862 HydrophobicContact CG1-CE2 3.65Å; V856-Y862 HydrophobicContact CG2-CD2 3.7Å; V856-Y862 HydrophobicContact CG2-CE2 3.85Å; V856-Y862 WeakPolarHBondContact O-CB 3.23Å
857	S	93.1	Very high	91.1	Very high	36 Å²	36	51.6 Å²	51.6	25%	0.252	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-65.7	-14.8	175.6	64.2	0	0	0	0	114.6	E850 G855	E850-S857 WeakPolarHBondContact OE1-CB 3.21Å; E850-S857 PolarHBondContact OE1-N 3.36Å; E850-S857 PolarHBondContact OE1-OG 3.48Å; G855-S857 VanDerWaalsContact C-N 3.26Å; G855-S857 PolarHBondContact O-N 3.21Å
858	K	92.7	Very high	89.3	Confident	141 Å²	141	57.7 Å²	57.7	61%	0.613	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-86.2	-7.4	176.3	-51.9	-178.5	-177.7	-178.6	0	112.5	G855 V856	G855-K858 VanDerWaalsContact O-CB 3.31Å; G855-K858 WeakPolarHBondContact O-CB 3.5Å; G855-K858 PolarHBondContact O-N 3.07Å; V856-K858 PolarHBondContact O-N 3.29Å
859	L	93.5	Very high	87.3	Confident	30 Å²	30	61.5 Å²	61.5	16%	0.157	33%	0.328	C	S	.	.	S	Bend	trans	-74.2	134.6	176.5	-65.9	175.4	0	0	0	111.1	L800 W853 V856 K861 Y862	L800-L859 HydrophobicContact CB-CB 4.11Å; L800-L859 HydrophobicContact CB-CD1 3.82Å; L800-L859 HydrophobicContact CD1-CD1 3.87Å; W853-L859 HydrophobicContact CH2-CD1 3.76Å; W853-L859 HydrophobicContact CZ2-CD1 3.59Å; V856-L859 HydrophobicContact CG2-CD1 4.06Å; V856-L859 WeakPolarHBondContact O-CB 3.33Å; V856-L859 PolarHBondContact O-N 3.03Å; V856-L859 VanDerWaalsContact O-N 3.1Å; L859-K861 PolarHBondContact O-N 3.21Å; L859-Y862 WeakPolarHBondContact O-CB 3.42Å; L859-Y862 PolarHBondContact O-N 3.16Å
860	P	91.8	Very high	84.9	Confident	95 Å²	95	65.5 Å²	65.5	62%	0.617	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.3	-166.2	-31	36.2	0	0	0	116.7
861	K	92.2	Very high	82.8	Confident	50 Å²	50	64.9 Å²	64.9	22%	0.217	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-4.5	-179.2	-57.1	179.3	178.4	179.4	0	113.9	H786 L799 L800 L859 T864 L865	H786-K861 PolarHBondContact CD2-NZ 3.5Å; H786-K861 PolarHBondContact NE2-NZ 2.83Å; L799-K861 WeakPolarHBondContact O-CD 3.47Å; L800-K861 WeakPolarHBondContact O-CB 3.45Å; L800-K861 PolarHBondContact O-N 3.13Å; L859-K861 PolarHBondContact O-N 3.21Å; K861-T864 PolarHBondContact O-N 3.25Å; K861-L865 HydrophobicContact CB-CD1 3.96Å; K861-L865 HydrophobicContact CB-CG 4.33Å; K861-L865 WeakPolarHBondContact O-CB 3.34Å; K861-L865 VanDerWaalsContact O-CG 3.31Å; K861-L865 WeakPolarHBondContact O-CG 3.22Å; K861-L865 PolarHBondContact O-N 3.19Å
862	Y	92.1	Very high	80.2	Confident	33 Å²	33	62.3 Å²	62.3	13%	0.129	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-56.8	-176.8	-178	-84.5	0	0	0	111.5	P848 V856 L859 T864 L865 L866	P848-Y862 PolarHBondContact O-OH 3.42Å; V856-Y862 HydrophobicContact CB-CD2 4.4Å; V856-Y862 HydrophobicContact CB-CE2 4.31Å; V856-Y862 HydrophobicContact CG1-CD2 4.18Å; V856-Y862 HydrophobicContact CG1-CE2 3.65Å; V856-Y862 HydrophobicContact CG2-CD2 3.7Å; V856-Y862 HydrophobicContact CG2-CE2 3.85Å; V856-Y862 WeakPolarHBondContact O-CB 3.23Å; L859-Y862 WeakPolarHBondContact O-CB 3.42Å; L859-Y862 PolarHBondContact O-N 3.16Å; Y862-T864 PolarHBondContact O-N 3.11Å; Y862-L865 PolarHBondContact O-N 2.89Å; Y862-L865 VanDerWaalsContact O-N 3.16Å; Y862-L866 HydrophobicContact CD2-CD1 3.61Å; Y862-L866 HydrophobicContact CE1-CB 4.46Å; Y862-L866 HydrophobicContact CE2-CD1 3.36Å; Y862-L866 HydrophobicContact CG-CD1 4.33Å; Y862-L866 PolarHBondContact O-N 3.37Å
863	K	86.4	Confident	77.5	Confident	129 Å²	129	62 Å²	62	56%	0.561	34%	0.342	S	S	*	.	H	α-helix	trans	-61.7	-30.5	-179.5	-64.6	-163.2	176.6	-160.4	0	113	G867	K863-G867 WeakPolarHBondContact O-CA 3.37Å; K863-G867 PolarHBondContact O-N 2.81Å
864	T	88.2	Confident	75.1	Confident	81 Å²	81	64.8 Å²	64.8	50%	0.497	36%	0.361	S	S	.	.	H	α-helix	trans	-75.4	-34.7	177.3	-41.1	0	0	0	0	112.9	K861 Y862	K861-T864 PolarHBondContact O-N 3.25Å; Y862-T864 PolarHBondContact O-N 3.11Å
865	L	87.8	Confident	72.6	Confident	22 Å²	22	64 Å²	64	12%	0.115	35%	0.352	C	S	.	.	H	α-helix	trans	-96.2	-26.2	-173.8	-65.6	179.1	0	0	0	114.3	V835 L838 K861 Y862 R908 L909	V835-L865 HydrophobicContact CG1-CD2 4.45Å; V835-L865 HydrophobicContact CG2-CD1 4.46Å; V835-L865 HydrophobicContact CG2-CD2 3.65Å; L838-L865 HydrophobicContact CD1-CD1 3.69Å; K861-L865 HydrophobicContact CB-CD1 3.96Å; K861-L865 HydrophobicContact CB-CG 4.33Å; K861-L865 WeakPolarHBondContact O-CB 3.34Å; K861-L865 VanDerWaalsContact O-CG 3.31Å; K861-L865 WeakPolarHBondContact O-CG 3.22Å; K861-L865 PolarHBondContact O-N 3.19Å; Y862-L865 PolarHBondContact O-N 2.89Å; Y862-L865 VanDerWaalsContact O-N 3.16Å; L865-R908 CarbonylContact O-C 3.11Å; L865-R908 VanDerWaalsContact O-CA 3.22Å; L865-R908 WeakPolarHBondContact O-CA 3.33Å; L865-L909 HydrophobicContact CB-CD1 4.16Å; L865-L909 PolarHBondContact O-N 2.9Å
866	L	85.1	Confident	69.7	Low	5 Å²	5	69.8 Å²	69.8	3%	0.026	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-35.1	176.7	-74	157.1	0	0	0	111.2	F842 T847 Y862 L869 L909	F842-L866 HydrophobicContact CE2-CD1 4.38Å; T847-L866 HydrophobicContact CG2-CD1 4.21Å; T847-L866 HydrophobicContact CG2-CD2 3.55Å; Y862-L866 HydrophobicContact CD2-CD1 3.61Å; Y862-L866 HydrophobicContact CE1-CB 4.46Å; Y862-L866 HydrophobicContact CE2-CD1 3.36Å; Y862-L866 HydrophobicContact CG-CD1 4.33Å; Y862-L866 PolarHBondContact O-N 3.37Å; L866-L869 VanDerWaalsContact O-CD1 3.3Å; L866-L869 WeakPolarHBondContact O-CD1 3.35Å; L866-L869 VanDerWaalsContact O-CG 3.26Å; L866-L869 WeakPolarHBondContact O-CG 3.33Å; L866-L909 HydrophobicContact CD2-CB 3.7Å; L866-L909 HydrophobicContact CG-CB 4.28Å
867	G	69.3	Low	66.9	Low	8 Å²	8	79.5 Å²	79.5	8%	0.082	41%	0.41	C	S	.	.			trans	65.8	-175.3	-174.3	0	0	0	0	0	112.7	K863 L869	K863-G867 WeakPolarHBondContact O-CA 3.37Å; K863-G867 PolarHBondContact O-N 2.81Å; G867-L869 PolarHBondContact O-N 3.26Å
868	D	58.8	Low	64.5	Low	135 Å²	135	82.4 Å²	82.4	72%	0.722	43%	0.426	S	S	*	.	S	Bend	trans	-78.6	58.9	170.8	-46	-70.5	0	0	0	109.5	N870	D868-N870 PolarHBondContact O-N 3.22Å
869	L	54.8	Low	61.8	Low	81 Å²	81	83.2 Å²	83.2	42%	0.424	43%	0.429	S	S	.	.			trans	-62.4	103.7	168.4	-88	171.3	0	0	0	107.6	L866 G867 V871	L866-L869 VanDerWaalsContact O-CD1 3.3Å; L866-L869 WeakPolarHBondContact O-CD1 3.35Å; L866-L869 VanDerWaalsContact O-CG 3.26Å; L866-L869 WeakPolarHBondContact O-CG 3.33Å; G867-L869 PolarHBondContact O-N 3.26Å; L869-V871 PolarHBondContact O-N 2.75Å
870	N	41.5	Very low	58.9	Low	104 Å²	104	86 Å²	86	56%	0.556	45%	0.452	S	S	*	.			trans	-62.4	96.2	-169.2	-173.4	-7.8	0	0	0	111.8	D868 N872 S873	D868-N870 PolarHBondContact O-N 3.22Å; N870-N872 PolarHBondContact O-N 2.64Å; N870-N872 WeakPolarHBondContact OD1-CB 3.26Å; N870-N872 PolarHBondContact OD1-N 2.71Å; N870-S873 PolarHBondContact O-N 3.35Å; N870-S873 VanDerWaalsContact O-N 3.1Å; N870-S873 PolarHBondContact O-OG 2.68Å
871	V	49.6	Very low	56.2	Low	66 Å²	66	85.3 Å²	85.3	40%	0.4	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-35.6	-173.9	178.3	0	0	0	0	111.9	L869 S873 T874 I875	L869-V871 PolarHBondContact O-N 2.75Å; V871-S873 VanDerWaalsContact C-N 3.32Å; V871-S873 PolarHBondContact O-N 3.47Å; V871-T874 PolarHBondContact O-N 2.62Å; V871-I875 HydrophobicContact CG1-CD1 3.49Å; V871-I875 VanDerWaalsContact CG1-CD1 3.49Å; V871-I875 HydrophobicContact CG1-CG1 4.16Å; V871-I875 PolarHBondContact O-N 2.75Å
872	N	36.6	Very low	53.4	Low	108 Å²	108	88 Å²	88	58%	0.578	48%	0.479	S	S	*	.	H	α-helix	trans	-61.9	-37.4	-175.7	-59.8	-9.7	0	0	0	112.5	N870 T874 Q876	N870-N872 PolarHBondContact O-N 2.64Å; N870-N872 WeakPolarHBondContact OD1-CB 3.26Å; N870-N872 PolarHBondContact OD1-N 2.71Å; N872-T874 VanDerWaalsContact C-N 3.34Å; N872-T874 PolarHBondContact O-N 2.94Å; N872-Q876 WeakPolarHBondContact O-CB 3.47Å; N872-Q876 VanDerWaalsContact O-CG 3.31Å; N872-Q876 WeakPolarHBondContact O-CG 3.39Å; N872-Q876 PolarHBondContact O-N 2.89Å
873	S	35.5	Very low	50.4	Low	67 Å²	67	91.8 Å²	91.8	47%	0.469	51%	0.51	S	S	.	.	H	α-helix	trans	-73.4	-19.9	-176.3	64.2	0	0	0	0	115	N870 V871	N870-S873 PolarHBondContact O-N 3.35Å; N870-S873 VanDerWaalsContact O-N 3.1Å; N870-S873 PolarHBondContact O-OG 2.68Å; V871-S873 VanDerWaalsContact C-N 3.32Å; V871-S873 PolarHBondContact O-N 3.47Å
874	T	44.3	Very low	47.6	Very low	73 Å²	73	88.6 Å²	88.6	45%	0.448	51%	0.514	S	S	.	.	H	α-helix	trans	-97.4	-39.9	178.6	-56.7	0	0	0	0	111.2	V871 N872 R877	V871-T874 PolarHBondContact O-N 2.62Å; N872-T874 VanDerWaalsContact C-N 3.34Å; N872-T874 PolarHBondContact O-N 2.94Å; T874-R877 PolarHBondContact O-N 3.42Å
875	I	43.2	Very low	44.9	Very low	57 Å²	57	92.6 Å²	92.6	29%	0.292	53%	0.532	S	S	.	.	H	α-helix	trans	-70.6	-33.1	179.5	-62.8	-175	0	0	0	112.1	V871 R877 T878 K879	V871-I875 HydrophobicContact CG1-CD1 3.49Å; V871-I875 VanDerWaalsContact CG1-CD1 3.49Å; V871-I875 HydrophobicContact CG1-CG1 4.16Å; V871-I875 PolarHBondContact O-N 2.75Å; I875-R877 PolarHBondContact O-N 2.83Å; I875-T878 PolarHBondContact O-N 2.91Å; I875-T878 PolarHBondContact O-OG1 3.37Å; I875-T878 VanDerWaalsContact O-OG1 3.04Å; I875-K879 HydrophobicContact CG2-CD 4.39Å; I875-K879 HydrophobicContact CG2-CG 4.48Å; I875-K879 PolarHBondContact O-N 3.06Å
876	Q	32.1	Very low	42	Very low	144 Å²	144	97.9 Å²	97.9	67%	0.673	57%	0.565	S	S	*	*	H	α-helix	trans	-63.2	-29.5	174.6	-76.5	179.7	-15.9	0	0	112.8	N872 S880	N872-Q876 WeakPolarHBondContact O-CB 3.47Å; N872-Q876 VanDerWaalsContact O-CG 3.31Å; N872-Q876 WeakPolarHBondContact O-CG 3.39Å; N872-Q876 PolarHBondContact O-N 2.89Å; Q876-S880 PolarHBondContact O-N 3.09Å; Q876-S880 PolarHBondContact O-OG 3.46Å
877	R	36.1	Very low	39.3	Very low	205 Å²	205	104.8 Å²	104.8	77%	0.774	60%	0.6	S	S	*	*	H	α-helix	trans	-78.1	-17.6	176.7	-75.1	-175.5	170.4	-170.6	-3.7	114.6	T874 I875	T874-R877 PolarHBondContact O-N 3.42Å; I875-R877 PolarHBondContact O-N 2.83Å
878	T	42.4	Very low	37.4	Very low	97 Å²	97	109.8 Å²	109.8	60%	0.595	63%	0.634	S	S	*	*	H	α-helix	trans	-92.3	-29.4	174.9	56	0	0	0	0	112.4	I875	I875-T878 PolarHBondContact O-N 2.91Å; I875-T878 PolarHBondContact O-OG1 3.37Å; I875-T878 VanDerWaalsContact O-OG1 3.04Å
879	K	36.5	Very low	35.9	Very low	157 Å²	157	108.9 Å²	108.9	68%	0.683	63%	0.629	S	S	*	*	H	α-helix	trans	-74.8	-30.3	176.1	-68.9	-169.3	175.9	-172.9	0	113.5	I875 A881 S882	I875-K879 HydrophobicContact CG2-CD 4.39Å; I875-K879 HydrophobicContact CG2-CG 4.48Å; I875-K879 PolarHBondContact O-N 3.06Å; K879-A881 VanDerWaalsContact C-N 3.28Å; K879-A881 PolarHBondContact O-N 3.42Å; K879-S882 PolarHBondContact O-OG 2.78Å
880	S	32.2	Very low	34.6	Very low	90 Å²	90	112 Å²	112	63%	0.629	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	1.9	179.7	55.6	0	0	0	0	115.6	Q876	Q876-S880 PolarHBondContact O-N 3.09Å; Q876-S880 PolarHBondContact O-OG 3.46Å
881	A	36.1	Very low	34	Very low	80 Å²	80	111.7 Å²	111.7	66%	0.661	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	14.9	178.4	0	0	0	0	0	113.5	K879	K879-A881 VanDerWaalsContact C-N 3.28Å; K879-A881 PolarHBondContact O-N 3.42Å
882	S	32.9	Very low	33.1	Very low	106 Å²	106	114.1 Å²	114.1	74%	0.741	66%	0.66	S	S	*	*			trans	-90.5	-8.4	-173.3	55	0	0	0	0	114.8	K879	K879-S882 PolarHBondContact O-OG 2.78Å
883	S	28.4	Very low	32.7	Very low	112 Å²	112	115.2 Å²	115.2	78%	0.783	67%	0.666	S	S	*	*	S	Bend	trans	-102.3	78.3	178.2	58	0	0	0	0	111.6
884	G	28.5	Very low	32.4	Very low	63 Å²	63	117.8 Å²	117.8	65%	0.649	67%	0.671	S	S	*	*	S	Bend	trans	93.8	93.2	166.1	0	0	0	0	0	116.7
885	L	30.4	Very low	31.4	Very low	165 Å²	165	122.8 Å²	122.8	86%	0.864	68%	0.681	S	S	*	*			trans	-158	150.3	133.4	-138.1	77.1	0	0	0	111.7
886	T	27.2	Very low	30.7	Very low	133 Å²	133	125.5 Å²	125.5	82%	0.816	71%	0.705	S	S	*	*			trans	-71.5	137.7	176.6	-6.8	0	0	0	0	111.4	S888	T886-S888 PolarHBondContact O-N 2.89Å
887	I	29.3	Very low	30.7	Very low	150 Å²	150	129.7 Å²	129.7	77%	0.769	72%	0.715	S	S	*	*			trans	-81	90.3	179.6	-54.7	177.4	0	0	0	110.6
888	S	28.7	Very low	30.3	Very low	112 Å²	112	130.3 Å²	130.3	78%	0.783	72%	0.723	S	S	*	*			trans	-83.9	129.1	151	53.4	0	0	0	0	108.9	T886	T886-S888 PolarHBondContact O-N 2.89Å
889	N	27.4	Very low	29.7	Very low	117 Å²	117	130.8 Å²	130.8	63%	0.626	73%	0.73	S	S	*	*			trans	-83.7	124.1	173	-66.7	-90.8	0	0	0	108.5
890	N	27.3	Very low	29.3	Very low	146 Å²	146	130.1 Å²	130.1	78%	0.781	74%	0.739	S	S	*	*			trans	-159.1	153.3	146.2	-98.8	-15.6	0	0	0	111.8
891	E	29.4	Very low	29.3	Very low	98 Å²	98	132.1 Å²	132.1	46%	0.458	74%	0.743	S	S	.	*			trans	17.7	130.4	155.6	-54.7	179.2	126.1	0	0	119.9	D1147 A1148	E891-D1147 HydrophobicContact CG-CB 4.14Å; E891-D1147 WeakPolarHBondContact OE1-CB 3.36Å; E891-A1148 WeakPolarHBondContact OE1-CB 3.45Å; E891-A1148 WeakPolarHBondContact OE2-CB 3.28Å
892	C	30.4	Very low	28.9	Very low	117 Å²	117	136.7 Å²	136.7	79%	0.791	76%	0.756	S	S	*	*			trans	-110	127	167.2	-62	0	0	0	0	110.5	E894	C892-E894 PolarHBondContact O-N 3.37Å
893	D	29.3	Very low	29	Very low	130 Å²	130	136.6 Å²	136.6	70%	0.695	75%	0.748	S	S	*	*			trans	-56.7	128.3	-179.2	-81.9	-72.6	0	0	0	115.5
894	E	27.4	Very low	29.4	Very low	122 Å²	122	140.5 Å²	140.5	57%	0.57	75%	0.753	S	S	*	*			trans	-106.8	56	154.1	-83	-149.6	137.7	0	0	111.2	C892 S1145	C892-E894 PolarHBondContact O-N 3.37Å; E894-S1145 WeakPolarHBondContact OE2-CB 3.14Å; E894-S1145 PolarHBondContact OE2-OG 2.87Å
895	R	24.7	Very low	30	Very low	178 Å²	178	144.1 Å²	144.1	67%	0.672	75%	0.752	S	S	*	*			trans	-138.5	27.4	-176.8	-116.6	170.5	-153.9	-162.5	4.7	119.9	V1149	R895-V1149 PolarHBondContact NH1-O 2.99Å
896	S	29.2	Very low	31.1	Very low	113 Å²	113	142.9 Å²	142.9	79%	0.79	74%	0.741	S	S	*	*			trans	-136.8	101	162.3	-167.6	0	0	0	0	114.3
897	R	32	Very low	32.6	Very low	232 Å²	232	145.1 Å²	145.1	88%	0.875	74%	0.735	S	S	*	*			trans	178.9	88.1	147.2	-99.9	159.5	-171.7	158.5	5.2	111.3
898	K	26.4	Very low	34.7	Very low	218 Å²	218	144.2 Å²	144.2	95%	0.948	72%	0.722	S	S	*	*			trans	-135.2	68.5	158.2	-86.9	-167	175.4	-176.5	0	109.6
899	S	30.2	Very low	37.3	Very low	108 Å²	108	139.2 Å²	139.2	76%	0.755	69%	0.686	S	S	*	*			trans	-103.8	148.7	153.8	53.9	0	0	0	0	108.6
900	T	27.6	Very low	40.1	Very low	142 Å²	142	139.1 Å²	139.1	87%	0.871	68%	0.682	S	S	*	*			trans	-66.6	128.5	178	44.9	0	0	0	0	111.2
901	D	33.4	Very low	43.1	Very low	132 Å²	132	136.4 Å²	136.4	71%	0.706	66%	0.663	S	S	*	*			trans	-150.9	126.9	150.7	-146.3	2	0	0	0	110.2	D903 K905	D901-D903 PolarHBondContact O-N 3.45Å; D901-K905 IonicContact OD2-NZ 3.02Å
902	N	27.1	Very low	46.2	Very low	176 Å²	176	133.3 Å²	133.3	94%	0.941	65%	0.647	S	S	*	*			trans	-94.8	84.1	-175.7	-98.8	-36.1	0	0	0	109.5
903	D	34.9	Very low	49.2	Very low	104 Å²	104	131.8 Å²	131.8	56%	0.556	64%	0.636	S	S	*	*			trans	-145.4	135.7	-175.8	-156.4	3.4	0	0	0	112.8	D901 K905	D901-D903 PolarHBondContact O-N 3.45Å; D903-K905 HydrophobicContact CB-CG 4.2Å; D903-K905 PolarHBondContact O-N 3.18Å; D903-K905 WeakPolarHBondContact OD2-CG 3.34Å; D903-K905 IonicContact OD2-NZ 2.94Å; D903-K905 PolarHBondContact OD2-NZ 2.97Å
904	Q	36.1	Very low	52.1	Low	194 Å²	194	130.9 Å²	130.9	91%	0.907	63%	0.631	S	S	*	*			trans	-80.8	45.9	175.9	-74	-168.6	-20.3	0	0	111.3	Q906	Q904-Q906 PolarHBondContact O-N 2.74Å; Q904-Q906 VanDerWaalsContact O-N 3.14Å
905	K	41.3	Very low	55.1	Low	140 Å²	140	131.4 Å²	131.4	61%	0.609	63%	0.628	S	S	*	*			trans	-56.9	121.4	173.2	-74.9	-176.9	172.6	75.6	0	108.9	D901 D903 R907	D901-K905 IonicContact OD2-NZ 3.02Å; D903-K905 HydrophobicContact CB-CG 4.2Å; D903-K905 PolarHBondContact O-N 3.18Å; D903-K905 WeakPolarHBondContact OD2-CG 3.34Å; D903-K905 IonicContact OD2-NZ 2.94Å; D903-K905 PolarHBondContact OD2-NZ 2.97Å; K905-R907 PolarHBondContact O-N 2.9Å
906	Q	53	Low	58.4	Low	138 Å²	138	125.9 Å²	125.9	65%	0.645	62%	0.615	S	S	*	*			trans	-51.7	134	177.2	-68.7	171.6	-23.1	0	0	109.7	Q904 R908	Q904-Q906 PolarHBondContact O-N 2.74Å; Q904-Q906 VanDerWaalsContact O-N 3.14Å; Q906-R908 VanDerWaalsContact C-N 3.27Å; Q906-R908 PolarHBondContact O-N 2.72Å
907	R	59.1	Low	61.5	Low	180 Å²	180	120.6 Å²	120.6	68%	0.679	58%	0.578	S	S	*	*			trans	-67.5	84	178	-75.5	-174	175.4	165.3	1	110.7	K905	K905-R907 PolarHBondContact O-N 2.9Å
908	R	72.9	Confident	64.5	Low	131 Å²	131	112.6 Å²	112.6	49%	0.494	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-66.7	139.4	166.8	-69	-172.1	179.6	-173	0.7	109.5	L865 Q906	L865-R908 CarbonylContact O-C 3.11Å; L865-R908 VanDerWaalsContact O-CA 3.22Å; L865-R908 WeakPolarHBondContact O-CA 3.33Å; Q906-R908 VanDerWaalsContact C-N 3.27Å; Q906-R908 PolarHBondContact O-N 2.72Å
909	L	84.1	Confident	67.7	Low	7 Å²	7	110.8 Å²	110.8	4%	0.037	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-71.8	146.4	172.9	-68.8	168.8	0	0	0	109.8	V835 L838 D839 F842 L865 L866	V835-L909 HydrophobicContact CG1-CD2 3.58Å; V835-L909 HydrophobicContact CG1-CG 3.97Å; L838-L909 HydrophobicContact CB-CD1 3.77Å; L838-L909 HydrophobicContact CB-CD2 4.44Å; L838-L909 HydrophobicContact CD1-CD1 4.12Å; D839-L909 HydrophobicContact CB-CD2 3.74Å; F842-L909 HydrophobicContact CD2-CD1 4.11Å; F842-L909 HydrophobicContact CE2-CD1 3.76Å; L865-L909 HydrophobicContact CB-CD1 4.16Å; L865-L909 PolarHBondContact O-N 2.9Å; L866-L909 HydrophobicContact CD2-CB 3.7Å; L866-L909 HydrophobicContact CG-CB 4.28Å
910	H	85.6	Confident	70.7	Confident	115 Å²	115	109.4 Å²	109.4	53%	0.532	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-77.5	160	174.8	-66.3	-71.8	0	0	0	111.6	T847 Y912	T847-H910 PolarHBondContact OG1-O 2.95Å; H910-Y912 HydrophobicContact CB-CD2 4.48Å; H910-Y912 HydrophobicContact CB-CE1 4.13Å; H910-Y912 HydrophobicContact CB-CE2 3.91Å
911	F	90.3	Very high	73.9	Confident	89 Å²	89	103.1 Å²	103.1	39%	0.39	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-87.1	116.7	168.6	-166.6	-91.4	0	0	0	109.4	T847	T847-F911 HydrophobicContact CG2-CD2 3.9Å; T847-F911 HydrophobicContact CG2-CE2 4.36Å
912	Y	94.3	Very high	76.8	Confident	33 Å²	33	100.5 Å²	100.5	13%	0.129	48%	0.478	C	S	.	.			trans	-112.3	137.2	178.7	-60	-74.6	0	0	0	110.1	D839 F842 R843 G846 T847 H910	D839-Y912 WeakPolarHBondContact OD1-CE2 3.31Å; D839-Y912 PolarHBondContact OD1-OH 3.3Å; F842-Y912 HydrophobicContact CB-CD2 3.79Å; F842-Y912 HydrophobicContact CB-CE2 4.42Å; F842-Y912 VanDerWaalsContact O-CB 3.28Å; F842-Y912 WeakPolarHBondContact O-CB 3.4Å; R843-Y912 HydrophobicContact CG-CD1 4.09Å; R843-Y912 HydrophobicContact CG-CD2 4.16Å; R843-Y912 HydrophobicContact CG-CE1 3.66Å; R843-Y912 HydrophobicContact CG-CE2 3.72Å; R843-Y912 HydrophobicContact CG-CG 4.32Å; R843-Y912 VanDerWaalsContact CG-CZ 3.44Å; R843-Y912 PolarHBondContact NE-OH 2.81Å; R843-Y912 PolarHBondContact NH2-OH 3.35Å; G846-Y912 CarbonylContact C-O 2.93Å; G846-Y912 VanDerWaalsContact CA-O 3.25Å; G846-Y912 WeakPolarHBondContact CA-O 3.29Å; T847-Y912 PolarHBondContact N-O 3.26Å; T847-Y912 PolarHBondContact OG1-N 2.89Å; H910-Y912 HydrophobicContact CB-CD2 4.48Å; H910-Y912 HydrophobicContact CB-CE1 4.13Å; H910-Y912 HydrophobicContact CB-CE2 3.91Å
913	P	93.3	Very high	80.1	Confident	86 Å²	86	94.4 Å²	94.4	56%	0.558	44%	0.441	S	S	*	.			trans	-71	151.1	167.5	31.7	-34.5	0	0	0	110.5
914	N	90.3	Very high	82.9	Confident	110 Å²	110	89.5 Å²	89.5	59%	0.588	42%	0.415	S	S	*	.			trans	-65.2	139.2	173.8	-171.2	8.3	0	0	0	110.6	V844 M845	V844-N914 PolarHBondContact O-OD1 3.04Å; M845-N914 PolarHBondContact O-OD1 3.07Å
915	R	90.8	Very high	85.7	Confident	134 Å²	134	84.2 Å²	84.2	51%	0.506	40%	0.4	S	S	.	.			trans	-119.8	138.5	-177.4	-65.2	-176.6	172.9	-168.6	-4.4	110.6	V844 L917	V844-R915 PolarHBondContact O-N 3.21Å; R915-L917 PolarHBondContact O-N 2.74Å
916	P	93.7	Very high	88.2	Confident	62 Å²	62	86 Å²	86	40%	0.403	40%	0.402	S	S	.	.			trans	-55.5	127.7	173.3	-23.9	32.9	0	0	0	111.2	H918 R919	P916-H918 VanDerWaalsContact C-N 3.27Å; P916-H918 VanDerWaalsContact CB-CE1 3.44Å; P916-H918 WeakPolarHBondContact CB-CE1 3.5Å; P916-H918 PolarHBondContact O-N 3.15Å; P916-R919 HydrophobicContact CB-CG 4.29Å; P916-R919 WeakPolarHBondContact O-CB 3.01Å; P916-R919 PolarHBondContact O-N 3.22Å
917	L	95.3	Very high	90.1	Very high	1 Å²	1	79.6 Å²	79.6	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-67.4	-29	-167.7	-170	64.5	0	0	0	111.8	T819 V844 R915 R919 V920 I921 L924 E931 A934 L935 L938	T819-L917 HydrophobicContact CG2-CD2 4.26Å; V844-L917 HydrophobicContact CG1-CD1 3.57Å; R915-L917 PolarHBondContact O-N 2.74Å; L917-R919 PolarHBondContact O-N 3.33Å; L917-V920 PolarHBondContact O-N 2.99Å; L917-V920 VanDerWaalsContact O-N 3.16Å; L917-I921 HydrophobicContact CD1-CD1 4.04Å; L917-I921 HydrophobicContact CG-CD1 4.15Å; L917-I921 PolarHBondContact O-N 3.18Å; L917-L924 HydrophobicContact CB-CD1 4.08Å; L917-L924 HydrophobicContact CD2-CD1 3.69Å; L917-L924 HydrophobicContact CG-CD1 3.56Å; L917-E931 WeakPolarHBondContact CA-OE1 3.43Å; L917-E931 HydrophobicContact CB-CG 4.24Å; L917-E931 PolarHBondContact N-OE1 3.46Å; L917-A934 HydrophobicContact CD2-CB 3.66Å; L917-L935 HydrophobicContact CB-CD2 4.17Å; L917-L935 HydrophobicContact CD2-CD2 4.21Å; L917-L935 HydrophobicContact CD2-CG 4.37Å; L917-L938 HydrophobicContact CD2-CD1 4.22Å
918	H	95.4	Very high	91.7	Very high	65 Å²	65	74.8 Å²	74.8	30%	0.301	37%	0.365	S	S	.	.	H	α-helix	trans	-63.9	-23.1	171.7	68.1	-102.6	0	0	0	113.9	P916 V920 I921 S922 L924 E931	P916-H918 VanDerWaalsContact C-N 3.27Å; P916-H918 VanDerWaalsContact CB-CE1 3.44Å; P916-H918 WeakPolarHBondContact CB-CE1 3.5Å; P916-H918 PolarHBondContact O-N 3.15Å; H918-V920 VanDerWaalsContact C-N 3.28Å; H918-I921 CarbonylContact O-C 3.54Å; H918-I921 VanDerWaalsContact O-C 3.25Å; H918-S922 WeakPolarHBondContact O-CA 3.42Å; H918-S922 PolarHBondContact O-N 3.49Å; H918-S922 VanDerWaalsContact O-N 3.14Å; H918-L924 HydrophobicContact CB-CB 4.34Å; H918-E931 IonicContact CE1-OE2 3.55Å; H918-E931 IonicContact CG-OE1 3.37Å; H918-E931 IonicContact CG-OE2 2.79Å; H918-E931 PolarHBondContact N-OE1 2.92Å; H918-E931 VanDerWaalsContact ND1-CD 3.29Å; H918-E931 IonicContact ND1-OE1 2.71Å; H918-E931 PolarHBondContact ND1-OE1 3.47Å; H918-E931 IonicContact ND1-OE2 3.85Å; H918-E931 PolarHBondContact ND1-OE2 2.76Å
919	R	93.6	Very high	92.9	Very high	180 Å²	180	72.8 Å²	72.8	68%	0.679	36%	0.362	S	S	*	.	H	α-helix	trans	-69.9	-29.3	174.8	-67.4	-171.2	179.1	-156.2	-0.5	111.5	P916 L917	P916-R919 HydrophobicContact CB-CG 4.29Å; P916-R919 WeakPolarHBondContact O-CB 3.01Å; P916-R919 PolarHBondContact O-N 3.22Å; L917-R919 PolarHBondContact O-N 3.33Å
920	V	92.7	Very high	93.5	Very high	78 Å²	78	72.5 Å²	72.5	47%	0.473	36%	0.36	S	S	.	.	H	α-helix	trans	-87.7	-37.9	174.7	-174.4	0	0	0	0	111	V844 L917 H918	V844-V920 HydrophobicContact CG1-CG2 4.09Å; V844-V920 HydrophobicContact CG2-CG1 4.35Å; V844-V920 HydrophobicContact CG2-CG2 4.21Å; L917-V920 PolarHBondContact O-N 2.99Å; L917-V920 VanDerWaalsContact O-N 3.16Å; H918-V920 VanDerWaalsContact C-N 3.28Å
921	I	95.3	Very high	94.1	Very high	10 Å²	10	69 Å²	69	5%	0.051	34%	0.344	C	S	.	.			trans	-122.8	80	-178.9	-54.8	149.7	0	0	0	109	T819 I822 T827 L917 H918 R923 L924	T819-I921 HydrophobicContact CG2-CD1 3.62Å; I822-I921 HydrophobicContact CG2-CG2 3.84Å; T827-I921 HydrophobicContact CG2-CD1 4.23Å; L917-I921 HydrophobicContact CD1-CD1 4.04Å; L917-I921 HydrophobicContact CG-CD1 4.15Å; L917-I921 PolarHBondContact O-N 3.18Å; H918-I921 CarbonylContact O-C 3.54Å; H918-I921 VanDerWaalsContact O-C 3.25Å; I921-R923 PolarHBondContact O-N 2.89Å; I921-L924 HydrophobicContact CB-CD1 3.9Å; I921-L924 HydrophobicContact CB-CG 4.11Å; I921-L924 HydrophobicContact CD1-CD1 4.15Å; I921-L924 HydrophobicContact CG2-CD1 4.25Å; I921-L924 HydrophobicContact CG2-CG 3.93Å; I921-L924 WeakPolarHBondContact O-CB 3.46Å; I921-L924 PolarHBondContact O-N 3.19Å
922	S	94.3	Very high	94.4	Very high	78 Å²	78	67.6 Å²	67.6	55%	0.545	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-3	-175.5	62.2	0	0	0	0	116	H918 S925	H918-S922 WeakPolarHBondContact O-CA 3.42Å; H918-S922 PolarHBondContact O-N 3.49Å; H918-S922 VanDerWaalsContact O-N 3.14Å; S922-S925 PolarHBondContact O-OG 2.84Å
923	R	95.4	Very high	94.6	Very high	48 Å²	48	66 Å²	66	18%	0.181	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-11.9	170.1	-79.4	-164	56	-174.1	-14.1	114.4	R722 G723 I724 I822 I921 R926	R722-R923 VanDerWaalsContact O-CD 3.27Å; R722-R923 WeakPolarHBondContact O-CD 3.37Å; R722-R923 PolarHBondContact O-NH1 2.67Å; G723-R923 PolarHBondContact O-NH1 2.84Å; I724-R923 PolarHBondContact O-NH1 3.43Å; I724-R923 PolarHBondContact O-NH2 2.81Å; I822-R923 HydrophobicContact CG2-CB 3.53Å; I822-R923 VanDerWaalsContact O-CD 3.27Å; I822-R923 WeakPolarHBondContact O-CD 3.47Å; I822-R923 PolarHBondContact O-NE 2.66Å; I921-R923 PolarHBondContact O-N 2.89Å; R923-R926 PolarHBondContact O-N 3.21Å
924	L	95	Very high	94.8	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	31%	0.312	C	S	.	.	S	Bend	trans	-67	-43.4	175.1	-76.3	171.3	0	0	0	112.2	I822 L917 H918 I921 R926 A927 A930 E931 A934	I822-L924 HydrophobicContact CD1-CD2 3.66Å; I822-L924 HydrophobicContact CG2-CD2 4.37Å; I822-L924 HydrophobicContact CG2-CG 4.43Å; L917-L924 HydrophobicContact CB-CD1 4.08Å; L917-L924 HydrophobicContact CD2-CD1 3.69Å; L917-L924 HydrophobicContact CG-CD1 3.56Å; H918-L924 HydrophobicContact CB-CB 4.34Å; I921-L924 HydrophobicContact CB-CD1 3.9Å; I921-L924 HydrophobicContact CB-CG 4.11Å; I921-L924 HydrophobicContact CD1-CD1 4.15Å; I921-L924 HydrophobicContact CG2-CD1 4.25Å; I921-L924 HydrophobicContact CG2-CG 3.93Å; I921-L924 WeakPolarHBondContact O-CB 3.46Å; I921-L924 PolarHBondContact O-N 3.19Å; L924-R926 PolarHBondContact O-N 2.58Å; L924-R926 VanDerWaalsContact O-N 3.1Å; L924-A927 PolarHBondContact O-N 2.93Å; L924-A930 HydrophobicContact CD2-CB 3.96Å; L924-E931 HydrophobicContact CB-CB 4.27Å; L924-A934 HydrophobicContact CD2-CB 4.35Å
925	S	94.1	Very high	95.2	Very high	83 Å²	83	59.1 Å²	59.1	58%	0.58	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.1	178.4	55.1	0	0	0	0	113.8	S922 A927	S922-S925 PolarHBondContact O-OG 2.84Å; S925-A927 VanDerWaalsContact C-N 3.26Å; S925-A927 PolarHBondContact O-N 2.91Å
926	R	93.9	Very high	95.5	Very high	176 Å²	176	55.6 Å²	55.6	66%	0.664	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	4.2	174.7	-53.9	-176.4	-174.1	-166.7	-4.6	113.5	L726 R923 L924	L726-R926 HydrophobicContact CD1-CB 4.39Å; L726-R926 WeakPolarHBondContact CD1-O 3.49Å; R923-R926 PolarHBondContact O-N 3.21Å; L924-R926 PolarHBondContact O-N 2.58Å; L924-R926 VanDerWaalsContact O-N 3.1Å
927	A	92.3	Very high	95.8	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.033	27%	0.267	C	S	.	.	S	Bend	trans	-137.3	102.8	-175.8	0	0	0	0	0	109.7	L726 L924 S925 H929 A930 Y956	L726-A927 HydrophobicContact CD1-CB 4.04Å; L726-A927 HydrophobicContact CD2-CB 4.11Å; L924-A927 PolarHBondContact O-N 2.93Å; S925-A927 VanDerWaalsContact C-N 3.26Å; S925-A927 PolarHBondContact O-N 2.91Å; A927-H929 PolarHBondContact O-N 3.02Å; A927-A930 HydrophobicContact CB-CB 3.58Å; A927-A930 WeakPolarHBondContact O-CB 3.37Å; A927-A930 PolarHBondContact O-N 3.28Å; A927-Y956 HydrophobicContact CB-CE2 4.32Å
928	P	93.7	Very high	95.9	Very high	79 Å²	79	52.6 Å²	52.6	51%	0.513	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	135.9	179	-30.6	36.5	0	0	0	112.5	A930 Y956	P928-A930 PolarHBondContact O-N 3.38Å; P928-Y956 WeakPolarHBondContact O-CD2 3.33Å
929	H	96.9	Very high	96	Very high	90 Å²	90	52.4 Å²	52.4	42%	0.417	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	-4.6	-175.1	-40.9	-73.5	0	0	0	117	A927 E931 S932 L933 A955	A927-H929 PolarHBondContact O-N 3.02Å; H929-E931 PolarHBondContact O-N 2.97Å; H929-S932 PolarHBondContact O-N 3Å; H929-L933 PolarHBondContact O-N 2.86Å; H929-A955 HydrophobicContact CB-CB 4.42Å
930	A	97.2	Very high	96.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-41.9	-176.6	0	0	0	0	0	113.1	F818 I822 L924 A927 P928 L933 A934 Y956	F818-A930 WeakPolarHBondContact CE1-O 3.48Å; F818-A930 HydrophobicContact CZ-CB 4.09Å; I822-A930 HydrophobicContact CD1-CB 4.35Å; L924-A930 HydrophobicContact CD2-CB 3.96Å; A927-A930 HydrophobicContact CB-CB 3.58Å; A927-A930 WeakPolarHBondContact O-CB 3.37Å; A927-A930 PolarHBondContact O-N 3.28Å; P928-A930 PolarHBondContact O-N 3.38Å; A930-L933 PolarHBondContact O-N 3.02Å; A930-A934 VanDerWaalsContact O-CB 3.31Å; A930-A934 WeakPolarHBondContact O-CB 3.39Å; A930-A934 PolarHBondContact O-N 2.95Å; A930-Y956 HydrophobicContact CB-CD2 3.84Å; A930-Y956 HydrophobicContact CB-CE2 3.6Å
931	E	97.3	Very high	96.2	Very high	42 Å²	42	42.7 Å²	42.7	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-43.1	175.8	-178.2	163.4	-151.5	0	0	111.6	L917 H918 L924 H929 L933 A934 L935	L917-E931 WeakPolarHBondContact CA-OE1 3.43Å; L917-E931 HydrophobicContact CB-CG 4.24Å; L917-E931 PolarHBondContact N-OE1 3.46Å; H918-E931 IonicContact CE1-OE2 3.55Å; H918-E931 IonicContact CG-OE1 3.37Å; H918-E931 IonicContact CG-OE2 2.79Å; H918-E931 PolarHBondContact N-OE1 2.92Å; H918-E931 VanDerWaalsContact ND1-CD 3.29Å; H918-E931 IonicContact ND1-OE1 2.71Å; H918-E931 PolarHBondContact ND1-OE1 3.47Å; H918-E931 IonicContact ND1-OE2 3.85Å; H918-E931 PolarHBondContact ND1-OE2 2.76Å; L924-E931 HydrophobicContact CB-CB 4.27Å; H929-E931 PolarHBondContact O-N 2.97Å; E931-L933 PolarHBondContact O-N 3.19Å; E931-A934 PolarHBondContact O-N 3.45Å; E931-L935 HydrophobicContact CG-CD1 3.96Å; E931-L935 HydrophobicContact CG-CG 4.41Å; E931-L935 WeakPolarHBondContact O-CB 3.32Å; E931-L935 VanDerWaalsContact O-CG 3.29Å; E931-L935 WeakPolarHBondContact O-CG 3.25Å; E931-L935 PolarHBondContact O-N 3.26Å
932	S	97.5	Very high	96.2	Very high	59 Å²	59	43.7 Å²	43.7	41%	0.413	23%	0.231	S	C	.	.	H	α-helix	trans	-60.9	-46.4	176.9	-171.5	0	0	0	0	111.6	H929 L935 Q936	H929-S932 PolarHBondContact O-N 3Å; S932-L935 PolarHBondContact O-N 3.14Å; S932-Q936 WeakPolarHBondContact O-CG 3.29Å; S932-Q936 PolarHBondContact O-N 3.5Å; S932-Q936 PolarHBondContact OG-NE2 2.71Å; S932-Q936 VanDerWaalsContact OG-NE2 3.15Å
933	L	98.3	Very high	96.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-39.6	176.9	-179.2	57.5	0	0	0	112.4	L733 F818 H929 A930 E931 Q936 F937 A951 N954 Y956 F957	L733-L933 HydrophobicContact CD2-CD2 3.85Å; F818-L933 HydrophobicContact CE1-CB 4.33Å; F818-L933 HydrophobicContact CE1-CD2 4.37Å; F818-L933 HydrophobicContact CE1-CG 4.27Å; H929-L933 PolarHBondContact O-N 2.86Å; A930-L933 PolarHBondContact O-N 3.02Å; E931-L933 PolarHBondContact O-N 3.19Å; L933-Q936 PolarHBondContact O-N 3.42Å; L933-F937 HydrophobicContact CD1-CE1 3.98Å; L933-F937 HydrophobicContact CD1-CE2 3.86Å; L933-F937 HydrophobicContact CD1-CZ 3.57Å; L933-F937 HydrophobicContact CD2-CE2 4.19Å; L933-F937 HydrophobicContact CD2-CZ 4.26Å; L933-F937 HydrophobicContact CG-CD2 4.32Å; L933-F937 HydrophobicContact CG-CE2 3.64Å; L933-F937 HydrophobicContact CG-CZ 3.84Å; L933-F937 WeakPolarHBondContact O-CD2 3.47Å; L933-F937 WeakPolarHBondContact O-CG 3.06Å; L933-F937 PolarHBondContact O-N 2.75Å; L933-F937 VanDerWaalsContact O-N 3.1Å; L933-A951 HydrophobicContact CD1-CB 4.19Å; L933-N954 HydrophobicContact CD1-CB 4.06Å; L933-N954 HydrophobicContact CD2-CB 4.42Å; L933-Y956 HydrophobicContact CD2-CD1 3.55Å; L933-Y956 HydrophobicContact CD2-CE1 4.44Å; L933-Y956 HydrophobicContact CD2-CG 3.9Å; L933-F957 HydrophobicContact CD2-CE2 4.06Å; L933-F957 HydrophobicContact CD2-CZ 4.34Å
934	A	98.4	Very high	96.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.7	-43.2	175.1	0	0	0	0	0	111.9	F818 T819 L917 L924 A930 E931 Q936 F937 L938	F818-A934 HydrophobicContact CD1-CB 3.99Å; F818-A934 HydrophobicContact CE1-CB 3.99Å; T819-A934 HydrophobicContact CG2-CB 4.01Å; L917-A934 HydrophobicContact CD2-CB 3.66Å; L924-A934 HydrophobicContact CD2-CB 4.35Å; A930-A934 VanDerWaalsContact O-CB 3.31Å; A930-A934 WeakPolarHBondContact O-CB 3.39Å; A930-A934 PolarHBondContact O-N 2.95Å; E931-A934 PolarHBondContact O-N 3.45Å; A934-Q936 VanDerWaalsContact C-N 3.34Å; A934-Q936 PolarHBondContact O-N 2.91Å; A934-F937 PolarHBondContact O-N 2.82Å; A934-L938 WeakPolarHBondContact O-CB 3.41Å; A934-L938 WeakPolarHBondContact O-CG 3.36Å; A934-L938 PolarHBondContact O-N 2.78Å
935	L	97.6	Very high	96.4	Very high	52 Å²	52	48.2 Å²	48.2	27%	0.272	25%	0.254	S	S	.	.	H	α-helix	trans	-65.7	-33.1	174.6	-70.5	171.6	0	0	0	112.6	M845 L917 E931 S932 F937 L938 Q939	M845-L935 HydrophobicContact CE-CD2 3.89Å; L917-L935 HydrophobicContact CB-CD2 4.17Å; L917-L935 HydrophobicContact CD2-CD2 4.21Å; L917-L935 HydrophobicContact CD2-CG 4.37Å; E931-L935 HydrophobicContact CG-CD1 3.96Å; E931-L935 HydrophobicContact CG-CG 4.41Å; E931-L935 WeakPolarHBondContact O-CB 3.32Å; E931-L935 VanDerWaalsContact O-CG 3.29Å; E931-L935 WeakPolarHBondContact O-CG 3.25Å; E931-L935 PolarHBondContact O-N 3.26Å; S932-L935 PolarHBondContact O-N 3.14Å; L935-F937 VanDerWaalsContact C-N 3.33Å; L935-L938 PolarHBondContact O-N 3.27Å; L935-Q939 WeakPolarHBondContact O-CG 3.09Å; L935-Q939 PolarHBondContact O-N 3.31Å; L935-Q939 PolarHBondContact O-NE2 3.04Å
936	Q	98.4	Very high	96.6	Very high	59 Å²	59	45.8 Å²	45.8	28%	0.276	23%	0.234	S	C	.	.	H	α-helix	trans	-67.9	-29.8	173.6	-72.3	167	30.1	0	0	112.8	S932 L933 A934 R945 I946 N954	S932-Q936 WeakPolarHBondContact O-CG 3.29Å; S932-Q936 PolarHBondContact O-N 3.5Å; S932-Q936 PolarHBondContact OG-NE2 2.71Å; S932-Q936 VanDerWaalsContact OG-NE2 3.15Å; L933-Q936 PolarHBondContact O-N 3.42Å; A934-Q936 VanDerWaalsContact C-N 3.34Å; A934-Q936 PolarHBondContact O-N 2.91Å; Q936-R945 WeakPolarHBondContact O-CA 3.49Å; Q936-I946 HydrophobicContact CB-CB 4.13Å; Q936-I946 HydrophobicContact CB-CG2 3.75Å; Q936-I946 PolarHBondContact O-N 3.27Å; Q936-I946 VanDerWaalsContact O-N 3.1Å; Q936-I946 VanDerWaalsContact OE1-CD1 3.31Å; Q936-N954 PolarHBondContact OE1-ND2 2.69Å; Q936-N954 VanDerWaalsContact OE1-ND2 3.1Å
937	F	98.6	Very high	96.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-78	-42.8	171	-62.4	-42.7	0	0	0	112.7	L733 L737 I811 V814 G815 F818 L933 A934 L935 Q939 I946 A951	L733-F937 HydrophobicContact CD1-CE2 4.18Å; L733-F937 HydrophobicContact CD1-CZ 4.4Å; L733-F937 HydrophobicContact CD2-CE2 4.17Å; L733-F937 HydrophobicContact CD2-CZ 4.48Å; L737-F937 HydrophobicContact CD1-CZ 4.22Å; L737-F937 HydrophobicContact CD2-CE1 3.98Å; L737-F937 HydrophobicContact CD2-CZ 3.91Å; I811-F937 HydrophobicContact CG2-CB 4.32Å; I811-F937 HydrophobicContact CG2-CD1 3.64Å; I811-F937 HydrophobicContact CG2-CE1 4.46Å; I811-F937 HydrophobicContact CG2-CG 4.41Å; V814-F937 HydrophobicContact CG1-CD2 4.31Å; V814-F937 HydrophobicContact CG1-CE1 4.19Å; V814-F937 HydrophobicContact CG1-CE2 3.93Å; V814-F937 HydrophobicContact CG1-CZ 3.87Å; G815-F937 VanDerWaalsContact CA-CB 3.47Å; F818-F937 HydrophobicContact CD1-CD2 4.04Å; F818-F937 AromaticContact CD1-CE2 3.92Å; F818-F937 HydrophobicContact CD1-CE2 3.92Å; F818-F937 HydrophobicContact CG-CE2 4.48Å; L933-F937 HydrophobicContact CD1-CE1 3.98Å; L933-F937 HydrophobicContact CD1-CE2 3.86Å; L933-F937 HydrophobicContact CD1-CZ 3.57Å; L933-F937 HydrophobicContact CD2-CE2 4.19Å; L933-F937 HydrophobicContact CD2-CZ 4.26Å; L933-F937 HydrophobicContact CG-CD2 4.32Å; L933-F937 HydrophobicContact CG-CE2 3.64Å; L933-F937 HydrophobicContact CG-CZ 3.84Å; L933-F937 WeakPolarHBondContact O-CD2 3.47Å; L933-F937 WeakPolarHBondContact O-CG 3.06Å; L933-F937 PolarHBondContact O-N 2.75Å; L933-F937 VanDerWaalsContact O-N 3.1Å; A934-F937 PolarHBondContact O-N 2.82Å; L935-F937 VanDerWaalsContact C-N 3.33Å; F937-Q939 VanDerWaalsContact C-N 3.26Å; F937-Q939 PolarHBondContact O-N 2.77Å; F937-I946 HydrophobicContact CD1-CG2 3.47Å; F937-I946 VanDerWaalsContact CD1-CG2 3.47Å; F937-I946 HydrophobicContact CE1-CG2 3.66Å; F937-I946 HydrophobicContact CG-CG2 4.5Å; F937-A951 HydrophobicContact CE1-CB 3.6Å; F937-A951 HydrophobicContact CZ-CB 3.93Å
938	L	97.9	Very high	97.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-87.4	27.1	-172.3	-63.9	178	0	0	0	114	W812 T819 F828 M845 L917 A934 L935 L940	W812-L938 HydrophobicContact CD2-CD2 4.07Å; W812-L938 HydrophobicContact CE3-CD2 4.14Å; W812-L938 HydrophobicContact CH2-CB 4.49Å; W812-L938 HydrophobicContact CH2-CD2 4.17Å; W812-L938 HydrophobicContact CZ2-CD2 4.1Å; W812-L938 HydrophobicContact CZ3-CB 4.23Å; W812-L938 HydrophobicContact CZ3-CD2 4.21Å; W812-L938 VanDerWaalsContact CZ3-O 3.3Å; W812-L938 WeakPolarHBondContact CZ3-O 3.44Å; T819-L938 HydrophobicContact CG2-CD1 4.35Å; F828-L938 HydrophobicContact CE2-CD1 4.28Å; F828-L938 HydrophobicContact CE2-CD2 4.07Å; F828-L938 HydrophobicContact CZ-CD1 4.4Å; M845-L938 HydrophobicContact CE-CB 4.17Å; M845-L938 WeakPolarHBondContact CE-O 3.5Å; M845-L938 HydrophobicContact SD-CB 4.2Å; L917-L938 HydrophobicContact CD2-CD1 4.22Å; A934-L938 WeakPolarHBondContact O-CB 3.41Å; A934-L938 WeakPolarHBondContact O-CG 3.36Å; A934-L938 PolarHBondContact O-N 2.78Å; L935-L938 PolarHBondContact O-N 3.27Å; L938-L940 PolarHBondContact O-N 3.49Å
939	Q	97.4	Very high	97.3	Very high	61 Å²	61	42.4 Å²	42.4	29%	0.285	22%	0.221	S	C	.	.			trans	-64.4	129.9	172.6	-66.9	-67.3	-57.2	0	0	110.8	L935 F937 K944 R945	L935-Q939 WeakPolarHBondContact O-CG 3.09Å; L935-Q939 PolarHBondContact O-N 3.31Å; L935-Q939 PolarHBondContact O-NE2 3.04Å; F937-Q939 VanDerWaalsContact C-N 3.26Å; F937-Q939 PolarHBondContact O-N 2.77Å; Q939-K944 HydrophobicContact CB-CB 3.91Å; Q939-K944 HydrophobicContact CG-CB 3.89Å; Q939-R945 HydrophobicContact CB-CG 3.78Å; Q939-R945 PolarHBondContact O-NE 3.38Å; Q939-R945 PolarHBondContact O-NH2 3.25Å
940	L	96.5	Very high	97.3	Very high	20 Å²	20	40 Å²	40	11%	0.105	22%	0.217	C	C	.	.	S	Bend	trans	-61.3	-50.9	177.8	-60.2	-179.5	0	0	0	110.6	P796 W812 I841 M845 P848 W853 L938 P942 R945	P796-L940 HydrophobicContact CB-CD2 4.35Å; P796-L940 HydrophobicContact CG-CB 4.44Å; P796-L940 HydrophobicContact CG-CD2 3.84Å; W812-L940 HydrophobicContact CH2-CD2 4.23Å; W812-L940 HydrophobicContact CZ3-CD2 4.34Å; I841-L940 HydrophobicContact CG2-CD2 3.78Å; M845-L940 HydrophobicContact CB-CD1 4.46Å; M845-L940 HydrophobicContact CB-CD2 3.88Å; M845-L940 HydrophobicContact CB-CG 4.33Å; M845-L940 HydrophobicContact CG-CD2 4.31Å; P848-L940 HydrophobicContact CB-CD1 3.94Å; P848-L940 HydrophobicContact CG-CD1 4.3Å; W853-L940 HydrophobicContact CE3-CB 3.7Å; W853-L940 HydrophobicContact CZ3-CB 3.94Å; L938-L940 PolarHBondContact O-N 3.49Å; L940-P942 WeakPolarHBondContact O-CD 3.44Å; L940-R945 PolarHBondContact O-NH2 2.89Å
941	Q	94.7	Very high	97.4	Very high	34 Å²	34	40 Å²	40	16%	0.159	22%	0.217	C	C	.	.	S	Bend	trans	-68.3	122	176.6	-174.5	174.1	6.8	0	0	111.7	W853 S943 K944	W853-Q941 HydrophobicContact CB-CB 4.46Å; W853-Q941 HydrophobicContact CD2-CB 4.14Å; W853-Q941 HydrophobicContact CG-CB 3.87Å; W853-Q941 HydrophobicContact CG-CG 4.22Å; Q941-S943 VanDerWaalsContact C-N 3.28Å; Q941-S943 PolarHBondContact NE2-OG 3.4Å; Q941-S943 PolarHBondContact O-N 2.91Å; Q941-S943 VanDerWaalsContact O-N 3.16Å; Q941-K944 HydrophobicContact CB-CD 4.16Å; Q941-K944 HydrophobicContact CB-CG 4.34Å; Q941-K944 HydrophobicContact CG-CG 4.44Å; Q941-K944 PolarHBondContact O-N 3.48Å; Q941-K944 VanDerWaalsContact O-N 3.13Å; Q941-K944 VanDerWaalsContact OE1-CD 3.32Å
942	P	94.9	Very high	97.4	Very high	31 Å²	31	39.5 Å²	39.5	20%	0.201	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.6	-172	-27.4	36.5	0	0	0	116.2	D797 S808 W853 L940	D797-P942 HydrophobicContact CB-CG 3.49Å; D797-P942 VanDerWaalsContact CB-CG 3.49Å; S808-P942 WeakPolarHBondContact CB-O 3.11Å; S808-P942 PolarHBondContact OG-O 2.96Å; W853-P942 HydrophobicContact CZ2-CG 4.37Å; L940-P942 WeakPolarHBondContact O-CD 3.44Å
943	S	94.9	Very high	97.4	Very high	99 Å²	99	44.3 Å²	44.3	69%	0.692	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-17.9	178.8	51.1	0	0	0	0	113.8	Q941	Q941-S943 VanDerWaalsContact C-N 3.28Å; Q941-S943 PolarHBondContact NE2-OG 3.4Å; Q941-S943 PolarHBondContact O-N 2.91Å; Q941-S943 VanDerWaalsContact O-N 3.16Å
944	K	96.7	Very high	97.3	Very high	108 Å²	108	45.3 Å²	45.3	47%	0.47	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-11.8	177.1	-71.1	178.9	175	154.4	0	113.1	T852 Q939 Q941	T852-K944 PolarHBondContact O-NZ 2.88Å; Q939-K944 HydrophobicContact CB-CB 3.91Å; Q939-K944 HydrophobicContact CG-CB 3.89Å; Q941-K944 HydrophobicContact CB-CD 4.16Å; Q941-K944 HydrophobicContact CB-CG 4.34Å; Q941-K944 HydrophobicContact CG-CG 4.44Å; Q941-K944 PolarHBondContact O-N 3.48Å; Q941-K944 VanDerWaalsContact O-N 3.13Å; Q941-K944 VanDerWaalsContact OE1-CD 3.32Å
945	R	97.7	Very high	97.2	Very high	15 Å²	15	47.1 Å²	47.1	6%	0.057	24%	0.244	C	C	.	.	S	Bend	trans	-71.3	128.9	-178.9	-62.9	-179.6	-162.6	142.5	11.6	111.1	D797 S808 I811 Q936 Q939 L940	D797-R945 IonicContact OD1-CZ 3.69Å; D797-R945 IonicContact OD1-NH1 2.69Å; D797-R945 PolarHBondContact OD1-NH1 2.76Å; D797-R945 IonicContact OD1-NH2 3.42Å; D797-R945 PolarHBondContact OD1-NH2 2.86Å; S808-R945 VanDerWaalsContact O-CD 3.23Å; S808-R945 WeakPolarHBondContact O-CD 3.07Å; S808-R945 PolarHBondContact O-NH1 2.85Å; I811-R945 HydrophobicContact CG2-CB 4.04Å; Q936-R945 WeakPolarHBondContact O-CA 3.49Å; Q939-R945 HydrophobicContact CB-CG 3.78Å; Q939-R945 PolarHBondContact O-NE 3.38Å; Q939-R945 PolarHBondContact O-NH2 3.25Å; L940-R945 PolarHBondContact O-NH2 2.89Å
946	I	98.3	Very high	97.2	Very high	33 Å²	33	44.7 Å²	44.7	17%	0.169	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-62.4	137.9	-179.9	-171.5	165.7	0	0	0	112.4	I811 Q936 F937 A950 A951	I811-I946 WeakPolarHBondContact CG1-O 3.4Å; I811-I946 WeakPolarHBondContact CG2-O 3.47Å; Q936-I946 HydrophobicContact CB-CB 4.13Å; Q936-I946 HydrophobicContact CB-CG2 3.75Å; Q936-I946 PolarHBondContact O-N 3.27Å; Q936-I946 VanDerWaalsContact O-N 3.1Å; Q936-I946 VanDerWaalsContact OE1-CD1 3.31Å; F937-I946 HydrophobicContact CD1-CG2 3.47Å; F937-I946 VanDerWaalsContact CD1-CG2 3.47Å; F937-I946 HydrophobicContact CE1-CG2 3.66Å; F937-I946 HydrophobicContact CG-CG2 4.5Å; I946-A950 HydrophobicContact CD1-CB 4.07Å; I946-A950 HydrophobicContact CG1-CB 3.72Å; I946-A951 HydrophobicContact CD1-CB 4.19Å; I946-A951 HydrophobicContact CG1-CB 4.25Å; I946-A951 HydrophobicContact CG2-CB 4.15Å
947	S	98.2	Very high	97.2	Very high	66 Å²	66	41.9 Å²	41.9	46%	0.462	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-70.5	152.7	176.7	76	0	0	0	0	111.8	R949 A950 A951	S947-R949 VanDerWaalsContact C-N 3.27Å; S947-R949 PolarHBondContact O-N 3.38Å; S947-A950 PolarHBondContact O-N 2.95Å; S947-A950 VanDerWaalsContact O-N 3.1Å; S947-A950 WeakPolarHBondContact OG-CB 3.31Å; S947-A950 PolarHBondContact OG-N 3.05Å; S947-A951 WeakPolarHBondContact O-CB 3.49Å; S947-A951 PolarHBondContact O-N 2.81Å
948	A	98.4	Very high	96.8	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.017	24%	0.237	C	C	.	.	H	α-helix	trans	-57.2	-41.5	-178.9	0	0	0	0	0	112.3	L737 L740 A741 I811 A951 M952	L737-A948 HydrophobicContact CD2-CB 4.21Å; L740-A948 HydrophobicContact CB-CB 4.14Å; A741-A948 HydrophobicContact CB-CB 4.14Å; I811-A948 HydrophobicContact CD1-CB 3.87Å; A948-A951 PolarHBondContact O-N 2.94Å; A948-M952 WeakPolarHBondContact O-CG 3.4Å; A948-M952 PolarHBondContact O-N 3.17Å
949	R	97.5	Very high	96.2	Very high	120 Å²	120	50.3 Å²	50.3	45%	0.453	27%	0.268	S	S	.	.	H	α-helix	trans	-65.6	-37	177.2	-174.2	-177.3	-83.2	-132.6	-9.9	112.9	A741 D745 S947	A741-R949 HydrophobicContact CB-CB 4.23Å; D745-R949 IonicContact OD1-CZ 2.75Å; D745-R949 IonicContact OD1-NE 2.78Å; D745-R949 PolarHBondContact OD1-NE 3.4Å; D745-R949 IonicContact OD1-NH2 3.66Å; D745-R949 PolarHBondContact OD1-NH2 3.06Å; D745-R949 IonicContact OD2-CZ 3.48Å; D745-R949 IonicContact OD2-NE 3.94Å; D745-R949 PolarHBondContact OD2-NE 2.89Å; D745-R949 IonicContact OD2-NH2 3.65Å; D745-R949 PolarHBondContact OD2-NH2 3.02Å; S947-R949 VanDerWaalsContact C-N 3.27Å; S947-R949 PolarHBondContact O-N 3.38Å
950	A	97.8	Very high	95.9	Very high	40 Å²	40	51.4 Å²	51.4	33%	0.331	27%	0.273	S	S	.	.	H	α-helix	trans	-72.9	-39.9	174.6	0	0	0	0	0	111.7	I946 S947 M952 R953	I946-A950 HydrophobicContact CD1-CB 4.07Å; I946-A950 HydrophobicContact CG1-CB 3.72Å; S947-A950 PolarHBondContact O-N 2.95Å; S947-A950 VanDerWaalsContact O-N 3.1Å; S947-A950 WeakPolarHBondContact OG-CB 3.31Å; S947-A950 PolarHBondContact OG-N 3.05Å; A950-M952 VanDerWaalsContact C-N 3.31Å; A950-M952 PolarHBondContact O-N 2.93Å; A950-R953 WeakPolarHBondContact O-CB 3.3Å; A950-R953 PolarHBondContact O-N 2.91Å
951	A	98.4	Very high	95.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-35.6	179.9	0	0	0	0	0	113.2	L737 L933 F937 I946 S947 A948 R953 N954 F957	L737-A951 HydrophobicContact CD1-CB 3.81Å; L737-A951 HydrophobicContact CD2-CB 3.85Å; L737-A951 HydrophobicContact CG-CB 4.47Å; L933-A951 HydrophobicContact CD1-CB 4.19Å; F937-A951 HydrophobicContact CE1-CB 3.6Å; F937-A951 HydrophobicContact CZ-CB 3.93Å; I946-A951 HydrophobicContact CD1-CB 4.19Å; I946-A951 HydrophobicContact CG1-CB 4.25Å; I946-A951 HydrophobicContact CG2-CB 4.15Å; S947-A951 WeakPolarHBondContact O-CB 3.49Å; S947-A951 PolarHBondContact O-N 2.81Å; A948-A951 PolarHBondContact O-N 2.94Å; A951-R953 PolarHBondContact O-N 2.79Å; A951-R953 VanDerWaalsContact O-N 3.11Å; A951-N954 WeakPolarHBondContact O-CB 3.46Å; A951-N954 PolarHBondContact O-N 2.78Å; A951-F957 VanDerWaalsContact O-CE2 3.28Å; A951-F957 WeakPolarHBondContact O-CE2 3.33Å
952	M	97.9	Very high	95.9	Very high	31 Å²	31	51.5 Å²	51.5	15%	0.153	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.2	174	-65.8	-163.9	-49.5	0	0	113.9	Y734 L737 R738 A948 A950	Y734-M952 HydrophobicContact CD2-CB 4.5Å; Y734-M952 HydrophobicContact CE1-SD 4.32Å; Y734-M952 HydrophobicContact CE2-CB 3.87Å; Y734-M952 HydrophobicContact CE2-CG 4.19Å; Y734-M952 HydrophobicContact CE2-SD 4.35Å; L737-M952 HydrophobicContact CB-CG 3.67Å; L737-M952 HydrophobicContact CB-SD 4.41Å; L737-M952 HydrophobicContact CD1-CG 4.33Å; R738-M952 VanDerWaalsContact CA-SD 3.53Å; R738-M952 HydrophobicContact CB-SD 3.71Å; R738-M952 HydrophobicContact CG-SD 4.05Å; A948-M952 WeakPolarHBondContact O-CG 3.4Å; A948-M952 PolarHBondContact O-N 3.17Å; A950-M952 VanDerWaalsContact C-N 3.31Å; A950-M952 PolarHBondContact O-N 2.93Å
953	R	96.1	Very high	95.8	Very high	159 Å²	159	51.7 Å²	51.7	60%	0.6	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	3.1	178.6	-58.8	176.8	178.2	157	-4.4	113.1	A950 A951	A950-R953 WeakPolarHBondContact O-CB 3.3Å; A950-R953 PolarHBondContact O-N 2.91Å; A951-R953 PolarHBondContact O-N 2.79Å; A951-R953 VanDerWaalsContact O-N 3.11Å
954	N	97.1	Very high	95.8	Very high	21 Å²	21	50.7 Å²	50.7	11%	0.112	27%	0.274	C	S	.	.	S	Bend	trans	-70.2	142.8	-179.7	-176.4	-68.9	0	0	0	111.6	L933 Q936 A951 Y956 F957	L933-N954 HydrophobicContact CD1-CB 4.06Å; L933-N954 HydrophobicContact CD2-CB 4.42Å; Q936-N954 PolarHBondContact OE1-ND2 2.69Å; Q936-N954 VanDerWaalsContact OE1-ND2 3.1Å; A951-N954 WeakPolarHBondContact O-CB 3.46Å; A951-N954 PolarHBondContact O-N 2.78Å; N954-Y956 PolarHBondContact O-N 3.28Å; N954-Y956 WeakPolarHBondContact OD1-CB 3.4Å; N954-Y956 PolarHBondContact OD1-N 2.89Å; N954-F957 PolarHBondContact O-N 2.78Å
955	A	96.7	Very high	95.7	Very high	39 Å²	39	50.7 Å²	50.7	32%	0.322	28%	0.276	S	S	.	.	H	α-helix	trans	-52.1	-23	-179.7	0	0	0	0	0	115.1	H929 F957 S958	H929-A955 HydrophobicContact CB-CB 4.42Å; A955-F957 PolarHBondContact O-N 2.78Å; A955-F957 VanDerWaalsContact O-N 3.1Å; A955-S958 PolarHBondContact O-N 3.16Å
956	Y	97.6	Very high	95.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-51.7	-29.2	171.5	178.8	-114.4	0	0	0	114.2	R730 L733 F818 A927 P928 A930 L933 N954	R730-Y956 HydrophobicContact CB-CE1 4.44Å; R730-Y956 HydrophobicContact CG-CD1 4.3Å; R730-Y956 HydrophobicContact CG-CE1 3.54Å; R730-Y956 HydrophobicContact CG-CE2 4.15Å; R730-Y956 VanDerWaalsContact CG-CZ 3.44Å; R730-Y956 WeakPolarHBondContact CG-OH 3.45Å; R730-Y956 PolarHBondContact NE-O 2.91Å; R730-Y956 VanDerWaalsContact NE-O 3.15Å; L733-Y956 HydrophobicContact CD2-CD1 4.18Å; L733-Y956 HydrophobicContact CD2-CE1 3.89Å; F818-Y956 AromaticContact CE2-CE1 3.73Å; F818-Y956 HydrophobicContact CE2-CE1 3.73Å; F818-Y956 AromaticContact CE2-CZ 3.66Å; F818-Y956 WeakPolarHBondContact CE2-OH 3.37Å; F818-Y956 HydrophobicContact CZ-CD1 4.24Å; F818-Y956 AromaticContact CZ-CE1 3.68Å; F818-Y956 HydrophobicContact CZ-CE1 3.68Å; F818-Y956 HydrophobicContact CZ-CE2 4.12Å; F818-Y956 AromaticContact CZ-CZ 3.62Å; A927-Y956 HydrophobicContact CB-CE2 4.32Å; P928-Y956 WeakPolarHBondContact O-CD2 3.33Å; A930-Y956 HydrophobicContact CB-CD2 3.84Å; A930-Y956 HydrophobicContact CB-CE2 3.6Å; L933-Y956 HydrophobicContact CD2-CD1 3.55Å; L933-Y956 HydrophobicContact CD2-CE1 4.44Å; L933-Y956 HydrophobicContact CD2-CG 3.9Å; N954-Y956 PolarHBondContact O-N 3.28Å; N954-Y956 WeakPolarHBondContact OD1-CB 3.4Å; N954-Y956 PolarHBondContact OD1-N 2.89Å
957	F	97.3	Very high	95.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-97.2	-35.2	177.9	-56.7	-69.6	0	0	0	113.2	R730 L733 Y734 L737 L933 A951 N954 A955 N959 H960 L961 I963	R730-F957 HydrophobicContact CB-CD1 4.38Å; R730-F957 HydrophobicContact CB-CE1 4.49Å; L733-F957 HydrophobicContact CB-CE1 4.33Å; L733-F957 HydrophobicContact CB-CZ 4.28Å; L733-F957 HydrophobicContact CD2-CE1 4.22Å; L733-F957 HydrophobicContact CD2-CZ 3.64Å; L733-F957 HydrophobicContact CG-CE1 4.41Å; L733-F957 HydrophobicContact CG-CZ 3.87Å; Y734-F957 HydrophobicContact CD2-CD1 4.01Å; Y734-F957 HydrophobicContact CD2-CD2 4.32Å; Y734-F957 HydrophobicContact CD2-CE1 4.15Å; Y734-F957 HydrophobicContact CD2-CE2 4.46Å; Y734-F957 HydrophobicContact CD2-CG 4.09Å; Y734-F957 HydrophobicContact CD2-CZ 4.37Å; L737-F957 HydrophobicContact CD1-CE2 3.81Å; L737-F957 HydrophobicContact CD1-CZ 3.71Å; L933-F957 HydrophobicContact CD2-CE2 4.06Å; L933-F957 HydrophobicContact CD2-CZ 4.34Å; A951-F957 VanDerWaalsContact O-CE2 3.28Å; A951-F957 WeakPolarHBondContact O-CE2 3.33Å; N954-F957 PolarHBondContact O-N 2.78Å; A955-F957 PolarHBondContact O-N 2.78Å; A955-F957 VanDerWaalsContact O-N 3.1Å; F957-N959 VanDerWaalsContact C-N 3.32Å; F957-N959 PolarHBondContact O-N 2.78Å; F957-N959 VanDerWaalsContact O-N 3.16Å; F957-H960 PolarHBondContact O-N 2.81Å; F957-L961 HydrophobicContact CB-CD1 4.44Å; F957-L961 HydrophobicContact CD1-CD1 3.89Å; F957-L961 PolarHBondContact O-N 2.95Å; F957-I963 HydrophobicContact CB-CD1 3.56Å
958	S	90.9	Very high	95.3	Very high	56 Å²	56	54.2 Å²	54.2	39%	0.392	31%	0.308	S	S	.	.	H	α-helix	trans	-54.3	-39.5	-166.4	-55.4	0	0	0	0	115.2	A955 H960	A955-S958 PolarHBondContact O-N 3.16Å; S958-H960 VanDerWaalsContact C-N 3.29Å; S958-H960 PolarHBondContact O-N 2.9Å
959	N	84.8	Confident	95.3	Very high	122 Å²	122	55.1 Å²	55.1	65%	0.652	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	5.9	-175.7	-61.1	0.5	0	0	0	113.2	F957	F957-N959 VanDerWaalsContact C-N 3.32Å; F957-N959 PolarHBondContact O-N 2.78Å; F957-N959 VanDerWaalsContact O-N 3.16Å
960	H	90.9	Very high	95.3	Very high	83 Å²	83	52.8 Å²	52.8	38%	0.384	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.9	-13.2	-169.1	-59.6	-58	0	0	0	115.1	R730 F957 S958	R730-H960 VanDerWaalsContact CZ-NE2 3.33Å; R730-H960 PolarHBondContact NE-CD2 3.4Å; R730-H960 VanDerWaalsContact NE-CD2 3.31Å; R730-H960 PolarHBondContact NH1-CD2 3.05Å; R730-H960 VanDerWaalsContact NH1-CD2 3.34Å; R730-H960 PolarHBondContact NH1-NE2 3.32Å; R730-H960 PolarHBondContact NH2-CD2 3.18Å; R730-H960 PolarHBondContact NH2-NE2 3.28Å; F957-H960 PolarHBondContact O-N 2.81Å; S958-H960 VanDerWaalsContact C-N 3.29Å; S958-H960 PolarHBondContact O-N 2.9Å
961	L	95.6	Very high	95.2	Very high	9 Å²	9	54 Å²	54	5%	0.047	31%	0.314	C	S	.	.	S	Bend	trans	-136.9	144.9	177.5	-63	177.8	0	0	0	109.4	R730 L731 Y734 F957 I963 L966	R730-L961 HydrophobicContact CB-CD1 4.4Å; L731-L961 HydrophobicContact CD2-CD2 3.64Å; Y734-L961 HydrophobicContact CD2-CD1 4.33Å; Y734-L961 HydrophobicContact CG-CD1 4.33Å; F957-L961 HydrophobicContact CB-CD1 4.44Å; F957-L961 HydrophobicContact CD1-CD1 3.89Å; F957-L961 PolarHBondContact O-N 2.95Å; L961-I963 VanDerWaalsContact C-N 3.31Å; L961-I963 HydrophobicContact CB-CD1 3.86Å; L961-I963 WeakPolarHBondContact O-CD1 3.32Å; L961-I963 WeakPolarHBondContact O-CG1 3.39Å; L961-I963 PolarHBondContact O-N 2.78Å; L961-L966 HydrophobicContact CB-CD1 3.72Å; L961-L966 HydrophobicContact CD1-CD1 4.31Å
962	P	95.3	Very high	95.2	Very high	48 Å²	48	58.6 Å²	58.6	31%	0.312	34%	0.342	S	S	.	.			trans	-76	78.9	-179.2	32	-36	0	0	0	111.2	A964 Q965 L966 I978 I981	P962-A964 VanDerWaalsContact C-N 3.31Å; P962-A964 PolarHBondContact O-N 2.85Å; P962-Q965 HydrophobicContact CB-CB 4.29Å; P962-Q965 HydrophobicContact CB-CG 4.4Å; P962-Q965 PolarHBondContact O-N 3.45Å; P962-L966 PolarHBondContact O-N 2.83Å; P962-I978 HydrophobicContact CG-CG2 3.9Å; P962-I981 HydrophobicContact CG-CD1 3.84Å; P962-I981 HydrophobicContact CG-CG1 4.02Å
963	I	94.6	Very high	95.2	Very high	34 Å²	34	60.7 Å²	60.7	17%	0.174	35%	0.354	C	S	.	.	H	α-helix	trans	-57.2	-39.6	-169	-50.4	-53.9	0	0	0	113	F957 L961 Q965 L966 A967	F957-I963 HydrophobicContact CB-CD1 3.56Å; L961-I963 VanDerWaalsContact C-N 3.31Å; L961-I963 HydrophobicContact CB-CD1 3.86Å; L961-I963 WeakPolarHBondContact O-CD1 3.32Å; L961-I963 WeakPolarHBondContact O-CG1 3.39Å; L961-I963 PolarHBondContact O-N 2.78Å; I963-Q965 PolarHBondContact O-N 3.34Å; I963-L966 HydrophobicContact CD1-CD1 4.47Å; I963-L966 PolarHBondContact O-N 3.37Å; I963-A967 VanDerWaalsContact O-CB 3.28Å; I963-A967 WeakPolarHBondContact O-CB 3.49Å; I963-A967 PolarHBondContact O-N 2.96Å
964	A	93.8	Very high	95.3	Very high	78 Å²	78	53.9 Å²	53.9	65%	0.645	33%	0.33	S	S	*	.	H	α-helix	trans	-59.4	-45.1	177.3	0	0	0	0	0	112.2	P962 A967 C968	P962-A964 VanDerWaalsContact C-N 3.31Å; P962-A964 PolarHBondContact O-N 2.85Å; A964-A967 PolarHBondContact O-N 3.33Å; A964-C968 PolarHBondContact O-N 2.93Å; A964-C968 PolarHBondContact O-SG 2.86Å
965	Q	95.8	Very high	95.3	Very high	109 Å²	109	52.9 Å²	52.9	51%	0.509	33%	0.325	S	S	.	.	H	α-helix	trans	-70.2	-37.1	178.2	-60.6	178.1	3.4	0	0	111.4	P962 I963 C968 L969 I978	P962-Q965 HydrophobicContact CB-CB 4.29Å; P962-Q965 HydrophobicContact CB-CG 4.4Å; P962-Q965 PolarHBondContact O-N 3.45Å; I963-Q965 PolarHBondContact O-N 3.34Å; Q965-C968 PolarHBondContact O-N 2.89Å; Q965-L969 PolarHBondContact O-N 3Å; Q965-I978 HydrophobicContact CB-CD1 4.1Å; Q965-I978 HydrophobicContact CB-CG2 4.22Å
966	L	96.6	Very high	95.4	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-69.2	-29.2	175.3	-80	165.4	0	0	0	113.9	Y734 L961 P962 I963 I975 I978 I981	Y734-L966 HydrophobicContact CD1-CD2 4.35Å; Y734-L966 HydrophobicContact CE1-CB 4.08Å; Y734-L966 HydrophobicContact CE1-CD1 4.21Å; Y734-L966 HydrophobicContact CE1-CD2 3.88Å; Y734-L966 HydrophobicContact CE1-CG 4.31Å; Y734-L966 HydrophobicContact CE2-CD1 4.5Å; L961-L966 HydrophobicContact CB-CD1 3.72Å; L961-L966 HydrophobicContact CD1-CD1 4.31Å; P962-L966 PolarHBondContact O-N 2.83Å; I963-L966 HydrophobicContact CD1-CD1 4.47Å; I963-L966 PolarHBondContact O-N 3.37Å; L966-I975 HydrophobicContact CD2-CB 3.75Å; L966-I975 HydrophobicContact CD2-CG2 3.54Å; L966-I978 HydrophobicContact CB-CD1 4.38Å; L966-I978 HydrophobicContact CD2-CD1 3.67Å; L966-I978 HydrophobicContact CG-CD1 3.78Å; L966-I981 HydrophobicContact CD1-CD1 3.86Å; L966-I981 HydrophobicContact CD2-CD1 3.66Å; L966-I981 HydrophobicContact CG-CD1 3.79Å
967	A	93.1	Very high	95.4	Very high	75 Å²	75	57.5 Å²	57.5	62%	0.62	35%	0.345	S	S	*	.	H	α-helix	trans	-75.4	-32.8	176.6	0	0	0	0	0	112	I963 A964 L969	I963-A967 VanDerWaalsContact O-CB 3.28Å; I963-A967 WeakPolarHBondContact O-CB 3.49Å; I963-A967 PolarHBondContact O-N 2.96Å; A964-A967 PolarHBondContact O-N 3.33Å; A967-L969 VanDerWaalsContact C-N 3.29Å
968	C	95.6	Very high	95.3	Very high	108 Å²	108	58.1 Å²	58.1	73%	0.73	35%	0.348	S	S	*	.	S	Bend	trans	-82	-2.4	175.9	-58.3	0	0	0	0	113.6	A964 Q965 P970	A964-C968 PolarHBondContact O-N 2.93Å; A964-C968 PolarHBondContact O-SG 2.86Å; Q965-C968 PolarHBondContact O-N 2.89Å; C968-P970 WeakPolarHBondContact O-CD 3.43Å
969	L	97.1	Very high	95.3	Very high	22 Å²	22	60 Å²	60	12%	0.115	36%	0.359	C	S	.	.	S	Bend	trans	-77.9	118.6	-173.3	-172.3	73.2	0	0	0	111.7	R738 Q965 A967 L973 I975 I978	R738-L969 PolarHBondContact NH2-O 2.84Å; Q965-L969 PolarHBondContact O-N 3Å; A967-L969 VanDerWaalsContact C-N 3.29Å; L969-L973 HydrophobicContact CD1-CB 3.9Å; L969-L973 HydrophobicContact CD1-CD1 4.35Å; L969-L973 HydrophobicContact CG-CB 4.15Å; L969-I975 HydrophobicContact CD2-CB 4.42Å; L969-I975 HydrophobicContact CD2-CG2 3.98Å; L969-I978 HydrophobicContact CD1-CD1 4.34Å; L969-I978 HydrophobicContact CD1-CG1 4.23Å; L969-I978 HydrophobicContact CD2-CD1 4.28Å
970	P	97.5	Very high	95.6	Very high	71 Å²	71	61.5 Å²	61.5	46%	0.461	37%	0.367	S	S	.	.			trans	-54.4	141.7	-179.6	-27.6	34.7	0	0	0	113.9	R738 C968 T972 L973	R738-P970 VanDerWaalsContact NH2-C 3.29Å; R738-P970 PolarHBondContact NH2-O 3.09Å; C968-P970 WeakPolarHBondContact O-CD 3.43Å; P970-T972 PolarHBondContact O-N 2.85Å; P970-L973 HydrophobicContact CB-CG 4.4Å; P970-L973 HydrophobicContact CG-CD1 4.26Å; P970-L973 PolarHBondContact O-N 2.97Å
971	D	97.6	Very high	95.8	Very high	66 Å²	66	57.8 Å²	57.8	35%	0.353	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.1	-38.2	-177.2	-84.2	-18	0	0	0	114.1	H686 A687 Y742 R746	H686-D971 CarbonylContact C-O 3.25Å; H686-D971 WeakPolarHBondContact CA-O 3.42Å; H686-D971 PolarHBondContact CD2-O 3.21Å; H686-D971 IonicContact CD2-OD1 3.76Å; A687-D971 PolarHBondContact N-O 3.29Å; Y742-D971 HydrophobicContact CD2-CB 4.04Å; Y742-D971 VanDerWaalsContact CD2-CG 3.4Å; Y742-D971 VanDerWaalsContact CD2-OD2 3.28Å; Y742-D971 WeakPolarHBondContact CD2-OD2 3.34Å; Y742-D971 HydrophobicContact CE2-CB 3.8Å; Y742-D971 VanDerWaalsContact CE2-CG 3.46Å; Y742-D971 WeakPolarHBondContact CE2-OD2 3.38Å; R746-D971 IonicContact CZ-OD2 2.71Å; R746-D971 IonicContact NH1-OD2 2.75Å; R746-D971 IonicContact NH2-OD2 2.69Å; R746-D971 PolarHBondContact NH2-OD2 2.92Å
972	T	97.3	Very high	95.8	Very high	95 Å²	95	66.6 Å²	66.6	58%	0.583	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-13.8	-176.8	51.2	0	0	0	0	115	P970	P970-T972 PolarHBondContact O-N 2.85Å
973	L	97.9	Very high	95.9	Very high	76 Å²	76	66.4 Å²	66.4	40%	0.398	38%	0.379	S	S	.	.	S	Bend	trans	-90.2	146.8	179.6	-65.7	-171.4	0	0	0	112.7	A687 R738 L969 P970	A687-L973 WeakPolarHBondContact CB-O 3.19Å; R738-L973 PolarHBondContact NH1-O 3.26Å; R738-L973 PolarHBondContact NH2-O 3.24Å; L969-L973 HydrophobicContact CD1-CB 3.9Å; L969-L973 HydrophobicContact CD1-CD1 4.35Å; L969-L973 HydrophobicContact CG-CB 4.15Å; P970-L973 HydrophobicContact CB-CG 4.4Å; P970-L973 HydrophobicContact CG-CD1 4.26Å; P970-L973 PolarHBondContact O-N 2.97Å
974	S	98	Very high	95.9	Very high	15 Å²	15	67.3 Å²	67.3	11%	0.105	39%	0.386	C	S	.	.			trans	-81.5	144.4	179.3	-172	0	0	0	0	111.6	E765 F976 V977	E765-S974 WeakPolarHBondContact OE1-CB 3.07Å; E765-S974 PolarHBondContact OE1-OG 3.13Å; S974-F976 PolarHBondContact O-N 2.91Å; S974-F976 VanDerWaalsContact O-N 3.15Å; S974-V977 WeakPolarHBondContact O-CB 3.39Å; S974-V977 WeakPolarHBondContact O-CG2 3.33Å; S974-V977 PolarHBondContact O-N 2.72Å
975	I	98.1	Very high	96	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.005	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-62.5	-24	179.9	64.9	161.7	0	0	0	112.8	L731 Y734 Q735 L966 L969 V977 I978 I981	L731-I975 HydrophobicContact CD2-CD1 3.88Å; Y734-I975 HydrophobicContact CD1-CG2 4.47Å; Q735-I975 HydrophobicContact CG-CD1 3.58Å; Q735-I975 HydrophobicContact CG-CG1 3.99Å; Q735-I975 HydrophobicContact CG-CG2 4.47Å; L966-I975 HydrophobicContact CD2-CB 3.75Å; L966-I975 HydrophobicContact CD2-CG2 3.54Å; L969-I975 HydrophobicContact CD2-CB 4.42Å; L969-I975 HydrophobicContact CD2-CG2 3.98Å; I975-V977 PolarHBondContact O-N 3.28Å; I975-I978 PolarHBondContact O-N 2.78Å; I975-I981 HydrophobicContact CB-CG2 4.46Å; I975-I981 HydrophobicContact CD1-CG2 4.08Å; I975-I981 HydrophobicContact CG1-CG2 4.21Å
976	F	97.8	Very high	95.8	Very high	46 Å²	46	64.9 Å²	64.9	20%	0.202	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-76.7	0.5	178	-58.2	-82	0	0	0	113.9	L731 G764 E765 S974 I978 I981 L983	L731-F976 HydrophobicContact CD1-CE1 4.13Å; L731-F976 HydrophobicContact CD1-CZ 4.36Å; G764-F976 WeakPolarHBondContact O-CE2 3.47Å; G764-F976 WeakPolarHBondContact O-CZ 3.24Å; E765-F976 HydrophobicContact CG-CD2 3.9Å; E765-F976 HydrophobicContact CG-CE2 4.1Å; S974-F976 PolarHBondContact O-N 2.91Å; S974-F976 VanDerWaalsContact O-N 3.15Å; F976-I978 VanDerWaalsContact C-N 3.3Å; F976-I981 HydrophobicContact CD1-CG2 4.05Å; F976-I981 WeakPolarHBondContact CD1-O 3.44Å; F976-I981 HydrophobicContact CE1-CG2 4.24Å; F976-L983 HydrophobicContact CE1-CB 4.43Å
977	V	97.2	Very high	95.1	Very high	90 Å²	90	68.8 Å²	68.8	55%	0.545	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-72.5	-27.5	165.9	177.1	0	0	0	0	110.9	S974 I975	S974-V977 WeakPolarHBondContact O-CB 3.39Å; S974-V977 WeakPolarHBondContact O-CG2 3.33Å; S974-V977 PolarHBondContact O-N 2.72Å; I975-V977 PolarHBondContact O-N 3.28Å
978	I	96.4	Very high	93.3	Very high	12 Å²	12	71 Å²	71	6%	0.062	40%	0.404	C	S	.	.	S	Bend	trans	-75.3	129.5	-179.8	-60.6	174.8	0	0	0	109.5	P962 Q965 L966 L969 I975 F976 I981	P962-I978 HydrophobicContact CG-CG2 3.9Å; Q965-I978 HydrophobicContact CB-CD1 4.1Å; Q965-I978 HydrophobicContact CB-CG2 4.22Å; L966-I978 HydrophobicContact CB-CD1 4.38Å; L966-I978 HydrophobicContact CD2-CD1 3.67Å; L966-I978 HydrophobicContact CG-CD1 3.78Å; L969-I978 HydrophobicContact CD1-CD1 4.34Å; L969-I978 HydrophobicContact CD1-CG1 4.23Å; L969-I978 HydrophobicContact CD2-CD1 4.28Å; I975-I978 PolarHBondContact O-N 2.78Å; F976-I978 VanDerWaalsContact C-N 3.3Å; I978-I981 HydrophobicContact CB-CB 4.5Å; I978-I981 HydrophobicContact CB-CD1 3.83Å; I978-I981 HydrophobicContact CB-CG1 4.03Å; I978-I981 HydrophobicContact CD1-CD1 4.06Å; I978-I981 HydrophobicContact CG1-CD1 4.49Å; I978-I981 HydrophobicContact CG2-CD1 3.98Å; I978-I981 HydrophobicContact CG2-CG1 4.03Å; I978-I981 PolarHBondContact O-N 3.5Å
979	P	90.5	Very high	90.7	Very high	95 Å²	95	71 Å²	71	62%	0.617	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	147.6	174.8	-28.4	36.1	0	0	0	112.8	I981	P979-I981 PolarHBondContact O-N 2.99Å
980	N	90.7	Very high	87.8	Confident	154 Å²	154	78.2 Å²	78.2	82%	0.824	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	-12.9	-177.7	-50.2	-32	0	0	0	116.3	R982	N980-R982 PolarHBondContact O-N 2.89Å; N980-R982 VanDerWaalsContact O-N 3.11Å
981	I	96.3	Very high	84.7	Confident	6 Å²	6	80.4 Å²	80.4	3%	0.031	46%	0.455	C	S	.	.			trans	-75.3	101.8	168	-58	-165.1	0	0	0	109.2	L731 P962 L966 I975 F976 I978 P979	L731-I981 HydrophobicContact CD2-CG2 3.73Å; P962-I981 HydrophobicContact CG-CD1 3.84Å; P962-I981 HydrophobicContact CG-CG1 4.02Å; L966-I981 HydrophobicContact CD1-CD1 3.86Å; L966-I981 HydrophobicContact CD2-CD1 3.66Å; L966-I981 HydrophobicContact CG-CD1 3.79Å; I975-I981 HydrophobicContact CB-CG2 4.46Å; I975-I981 HydrophobicContact CD1-CG2 4.08Å; I975-I981 HydrophobicContact CG1-CG2 4.21Å; F976-I981 HydrophobicContact CD1-CG2 4.05Å; F976-I981 WeakPolarHBondContact CD1-O 3.44Å; F976-I981 HydrophobicContact CE1-CG2 4.24Å; I978-I981 HydrophobicContact CB-CB 4.5Å; I978-I981 HydrophobicContact CB-CD1 3.83Å; I978-I981 HydrophobicContact CB-CG1 4.03Å; I978-I981 HydrophobicContact CD1-CD1 4.06Å; I978-I981 HydrophobicContact CG1-CD1 4.49Å; I978-I981 HydrophobicContact CG2-CD1 3.98Å; I978-I981 HydrophobicContact CG2-CG1 4.03Å; I978-I981 PolarHBondContact O-N 3.5Å; P979-I981 PolarHBondContact O-N 2.99Å
982	R	95.7	Very high	81.2	Confident	193 Å²	193	82.5 Å²	82.5	73%	0.728	48%	0.475	S	S	*	.			trans	-138.8	147.1	176.7	-61.2	-172.4	-178.8	-156	-0.2	110.9	H727 L731 N980 V984	H727-R982 PolarHBondContact NE2-O 3.29Å; L731-R982 WeakPolarHBondContact CD1-O 3.37Å; N980-R982 PolarHBondContact O-N 2.89Å; N980-R982 VanDerWaalsContact O-N 3.11Å; R982-V984 PolarHBondContact O-N 2.62Å
983	L	96	Very high	78	Confident	45 Å²	45	81.8 Å²	81.8	24%	0.236	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-66.6	126.5	169.8	-168.8	76.9	0	0	0	108.4	N728 L731 F732 F976	N728-L983 HydrophobicContact CB-CD1 3.91Å; N728-L983 VanDerWaalsContact CG-CD1 3.43Å; N728-L983 WeakPolarHBondContact OD1-CD1 3.42Å; L731-L983 HydrophobicContact CD1-CD1 4.35Å; F732-L983 HydrophobicContact CE1-CD1 4Å; F732-L983 HydrophobicContact CZ-CD1 3.74Å; F976-L983 HydrophobicContact CE1-CB 4.43Å
984	V	95.3	Very high	74.7	Confident	53 Å²	53	81 Å²	81	32%	0.321	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-76.5	128.9	175	166.4	0	0	0	0	107.8	K725 H727 N728 R982 E986	K725-V984 HydrophobicContact CD-CG1 3.81Å; H727-V984 HydrophobicContact CB-CG2 4.31Å; H727-V984 WeakPolarHBondContact CD2-CG2 3.28Å; N728-V984 PolarHBondContact ND2-O 2.83Å; N728-V984 PolarHBondContact OD1-N 3.08Å; N728-V984 PolarHBondContact OD1-O 3.01Å; R982-V984 PolarHBondContact O-N 2.62Å; V984-E986 PolarHBondContact O-N 3.42Å; V984-E986 VanDerWaalsContact O-N 3.14Å
985	P	94.8	Very high	71.4	Confident	107 Å²	107	87.4 Å²	87.4	70%	0.695	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-53.7	123.6	176.7	-27.1	34.9	0	0	0	110.7	K725	K725-P985 PolarHBondContact NZ-O 3.19Å
986	E	93.3	Very high	68	Low	29 Å²	29	89.1 Å²	89.1	14%	0.136	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-61.7	140.4	174.7	-71.1	-67.3	173	0	0	109.6	Y716 H720 I724 K725 N728 V984 T988	Y716-E986 HydrophobicContact CE1-CG 4.24Å; Y716-E986 WeakPolarHBondContact OH-CG 3.22Å; H720-E986 VanDerWaalsContact NE2-CB 3.25Å; H720-E986 WeakPolarHBondContact NE2-CB 3.27Å; H720-E986 WeakPolarHBondContact NE2-CG 3.23Å; I724-E986 WeakPolarHBondContact CG2-OE1 3.45Å; K725-E986 WeakPolarHBondContact CB-OE1 3.1Å; K725-E986 WeakPolarHBondContact CB-OE2 3.36Å; K725-E986 WeakPolarHBondContact CD-OE2 3.41Å; K725-E986 WeakPolarHBondContact CG-OE2 3.49Å; K725-E986 PolarHBondContact N-OE1 2.75Å; K725-E986 PolarHBondContact N-OE2 3.07Å; N728-E986 PolarHBondContact ND2-OE1 3.04Å; V984-E986 PolarHBondContact O-N 3.42Å; V984-E986 VanDerWaalsContact O-N 3.14Å; E986-T988 VanDerWaalsContact C-N 3.34Å; E986-T988 PolarHBondContact O-N 3.32Å
987	S	79.9	Confident	64.6	Low	86 Å²	86	93 Å²	93	60%	0.601	53%	0.529	S	S	*	.			trans	-71.8	93.4	-178	48.4	0	0	0	0	108.6	S989	S987-S989 PolarHBondContact O-N 3.02Å
988	T	55.3	Low	61.2	Low	121 Å²	121	92.1 Å²	92.1	74%	0.742	53%	0.527	S	S	*	.			trans	-51.9	109.8	-179.8	52.8	0	0	0	0	109.1	E986 Q990	E986-T988 VanDerWaalsContact C-N 3.34Å; E986-T988 PolarHBondContact O-N 3.32Å; T988-Q990 PolarHBondContact O-N 3.5Å
989	S	42.1	Very low	58.1	Low	107 Å²	107	99.2 Å²	99.2	75%	0.748	56%	0.56	S	S	*	*			trans	-73.6	77.4	178	57.3	0	0	0	0	109.3	S987 S991	S987-S989 PolarHBondContact O-N 3.02Å; S989-S991 PolarHBondContact O-N 3.49Å
990	Q	35.8	Very low	55	Low	174 Å²	174	98.1 Å²	98.1	81%	0.813	55%	0.554	S	S	*	*			trans	-51.3	126.6	160.3	-74.3	-160.2	15.4	0	0	107.1	T988 S992	T988-Q990 PolarHBondContact O-N 3.5Å; Q990-S992 PolarHBondContact O-N 3.06Å
991	S	31.7	Very low	51.9	Low	117 Å²	117	100.9 Å²	100.9	82%	0.818	55%	0.554	S	S	*	*			trans	-77.7	73.3	-168.7	42.3	0	0	0	0	111.2	S989 P993	S989-S991 PolarHBondContact O-N 3.49Å; S991-P993 VanDerWaalsContact C-CD 3.46Å; S991-P993 WeakPolarHBondContact O-CD 3.47Å
992	S	25.4	Very low	48.5	Very low	110 Å²	110	109.8 Å²	109.8	77%	0.769	60%	0.595	S	S	*	*			trans	-73.6	95.1	144.7	-70.7	0	0	0	0	107.4	Q990	Q990-S992 PolarHBondContact O-N 3.06Å
993	P	29.6	Very low	45.3	Very low	80 Å²	80	111.2 Å²	111.2	52%	0.519	60%	0.601	S	S	.	*			trans	-59.9	135.5	163.7	28.6	-34.8	0	0	0	107.1	S991 K995	S991-P993 VanDerWaalsContact C-CD 3.46Å; S991-P993 WeakPolarHBondContact O-CD 3.47Å; P993-K995 PolarHBondContact O-N 3.22Å
994	P	29.9	Very low	41.9	Very low	59 Å²	59	116.7 Å²	116.7	38%	0.383	62%	0.618	S	S	.	*			trans	-72.4	77.8	170.7	30.5	-34.7	0	0	0	109.2	R350 D996	R350-P994 WeakPolarHBondContact CD-O 3.45Å; R350-P994 WeakPolarHBondContact CG-O 3.47Å; R350-P994 PolarHBondContact NE-O 3.1Å; P994-D996 PolarHBondContact O-N 2.9Å
995	K	27.1	Very low	38.6	Very low	150 Å²	150	121.4 Å²	121.4	65%	0.652	64%	0.636	S	S	*	*			trans	-55.6	106.5	132.1	-50.8	-176	-178.6	-173.7	0	104.6	R352 P993	R352-K995 PolarHBondContact NH2-O 2.74Å; P993-K995 PolarHBondContact O-N 3.22Å
996	D	27.1	Very low	35.3	Very low	37 Å²	37	119.6 Å²	119.6	20%	0.198	62%	0.619	C	S	.	*			cis	-165	-170.2	25.2	-63.5	-73.9	0	0	0	113.7	R350 S351 R352 P994	R350-D996 HydrophobicContact CB-CB 3.9Å; R350-D996 PolarHBondContact NE-O 3.14Å; R350-D996 PolarHBondContact NH2-O 3.39Å; S351-D996 WeakPolarHBondContact CA-OD1 3.29Å; S351-D996 PolarHBondContact N-OD1 2.96Å; S351-D996 VanDerWaalsContact N-OD1 3.07Å; R352-D996 HydrophobicContact CB-CB 3.53Å; R352-D996 WeakPolarHBondContact CD-OD2 3.46Å; R352-D996 HydrophobicContact CG-CB 3.69Å; R352-D996 WeakPolarHBondContact CG-OD2 3.44Å; R352-D996 IonicContact CZ-OD2 3.76Å; R352-D996 IonicContact NE-OD2 2.79Å; R352-D996 PolarHBondContact NE-OD2 3.35Å; R352-D996 IonicContact NH2-OD2 2.69Å; P994-D996 PolarHBondContact O-N 2.9Å
997	L	27.3	Very low	32.3	Very low	127 Å²	127	121.6 Å²	121.6	67%	0.665	64%	0.636	S	S	*	*	S	Bend	trans	125.3	122.5	174.7	-74.7	172	0	0	0	111.5	R350 S351	R350-L997 WeakPolarHBondContact CD-O 3.49Å; R350-L997 PolarHBondContact NH1-O 2.74Å; S351-L997 WeakPolarHBondContact OG-CA 3.47Å; S351-L997 PolarHBondContact OG-N 2.9Å
998	S	26	Very low	29.8	Very low	73 Å²	73	124.8 Å²	124.8	51%	0.51	65%	0.647	S	S	.	*			cis	-117.9	172	-14.1	65.3	0	0	0	0	110.8	S351 S1000	S351-S998 WeakPolarHBondContact OG-CA 3.45Å; S351-S998 PolarHBondContact OG-N 2.9Å; S351-S998 PolarHBondContact OG-O 2.69Å; S351-S998 VanDerWaalsContact OG-O 3.08Å; S998-S1000 PolarHBondContact OG-O 2.95Å
999	H	30.1	Very low	28.5	Very low	161 Å²	161	128.3 Å²	128.3	75%	0.745	65%	0.654	S	S	*	*			trans	-131.6	38.2	168.4	-150.5	-32.2	0	0	0	111	S351	S351-H999 WeakPolarHBondContact O-CB 3.5Å
1000	S	26.4	Very low	27.8	Very low	71 Å²	71	126.9 Å²	126.9	50%	0.497	65%	0.649	S	S	.	*			trans	-148.8	144.6	161.8	49.1	0	0	0	0	105.4	S998	S998-S1000 PolarHBondContact OG-O 2.95Å
1001	Y	24.2	Very low	27.3	Very low	212 Å²	212	126.4 Å²	126.4	83%	0.831	65%	0.652	S	S	*	*			cis	-118.3	140	16.9	-75.8	-109.9	0	0	0	113.6
1002	H	26.6	Very low	27.1	Very low	193 Å²	193	125.2 Å²	125.2	89%	0.894	64%	0.644	S	S	*	*			trans	-106	133.4	145.6	-111.9	-43.1	0	0	0	105.9
1003	R	27.7	Very low	27.1	Very low	224 Å²	224	126.8 Å²	126.8	85%	0.845	64%	0.644	S	S	*	*			trans	110.6	108.1	-178.4	62.9	169.7	178.7	87.5	-4.7	112.9
1004	R	24.5	Very low	27.1	Very low	160 Å²	160	129.4 Å²	129.4	60%	0.604	65%	0.653	S	S	*	*			cis	-136.5	-119.1	-10.8	-149.7	179.5	153	-171.6	-0.7	105.1
1005	H	26.1	Very low	27.1	Very low	151 Å²	151	131.1 Å²	131.1	70%	0.699	66%	0.659	S	S	*	*			cis	-128.6	122.2	-24.3	-108.9	-82.9	0	0	0	107.2
1006	E	26.3	Very low	27.2	Very low	69 Å²	69	127 Å²	127	32%	0.322	64%	0.644	S	S	.	*			trans	-125.8	155	137.4	-73.8	-167.3	140.2	0	0	104.1	N1151	E1006-N1151 VanDerWaalsContact CD-CG 3.48Å; E1006-N1151 VanDerWaalsContact OE1-CB 3.29Å; E1006-N1151 WeakPolarHBondContact OE1-CB 3.49Å; E1006-N1151 VanDerWaalsContact OE1-CG 3.26Å; E1006-N1151 PolarHBondContact OE1-ND2 2.78Å
1007	S	30.1	Very low	27.4	Very low	72 Å²	72	127.9 Å²	127.9	50%	0.503	65%	0.651	S	S	.	*			cis	-134.6	159.6	25.6	54.4	0	0	0	0	114.2
1008	D	26.8	Very low	27.6	Very low	153 Å²	153	126.3 Å²	126.3	82%	0.818	64%	0.644	S	S	*	*			trans	-79.5	-178.1	162.9	-74.7	-54.6	0	0	0	112.9
1009	Q	27.6	Very low	27.8	Very low	194 Å²	194	129.3 Å²	129.3	91%	0.907	65%	0.654	S	S	*	*			trans	83	134.4	170.7	-57.2	-172.8	5.4	0	0	116.9
1010	A	27.5	Very low	27.7	Very low	77 Å²	77	127.1 Å²	127.1	64%	0.636	65%	0.648	S	S	*	*			cis	-162.1	157.6	-14	0	0	0	0	0	111.4
1011	N	25.3	Very low	27.9	Very low	164 Å²	164	129.4 Å²	129.4	88%	0.877	66%	0.664	S	S	*	*			trans	65.4	150.1	169.5	-59.1	-13.4	0	0	0	115.6
1012	S	28.2	Very low	28	Very low	93 Å²	93	126.1 Å²	126.1	65%	0.65	66%	0.66	S	S	*	*			cis	-148	157.1	9.3	58.3	0	0	0	0	112.1
1013	N	25.4	Very low	28.2	Very low	143 Å²	143	122.1 Å²	122.1	77%	0.765	65%	0.654	S	S	*	*			trans	48.6	112.9	138.8	-61.2	14.3	0	0	0	117.5
1014	N	29	Very low	28.2	Very low	134 Å²	134	116.8 Å²	116.8	72%	0.717	65%	0.651	S	S	*	*				179.2	162.3	58.8	-112.8	20.6	0	0	0	114.6
1015	D	30.7	Very low	28.4	Very low	95 Å²	95	116 Å²	116	51%	0.508	66%	0.658	S	S	.	*			trans	69.5	96.4	143.7	-78.8	-72.3	0	0	0	124.6	K1185	D1015-K1185 IonicContact OD1-NZ 2.74Å; D1015-K1185 PolarHBondContact OD1-NZ 3.07Å
1016	D	29.2	Very low	28.3	Very low	63 Å²	63	115.6 Å²	115.6	34%	0.337	66%	0.656	S	S	.	*				100.8	-171.9	126.2	-147	-18.8	0	0	0	119.9	L1182 P1183 K1184 K1185	D1016-L1182 CarbonylContact O-C 3.03Å; D1016-P1183 VanDerWaalsContact C-CA 3.48Å; D1016-P1183 CarbonylContact O-C 3.51Å; D1016-P1183 VanDerWaalsContact O-C 3.28Å; D1016-P1183 WeakPolarHBondContact O-CA 3.23Å; D1016-K1184 HydrophobicContact CB-CB 3.53Å; D1016-K1184 IonicContact OD1-NZ 2.64Å; D1016-K1184 PolarHBondContact OD1-NZ 3.34Å; D1016-K1184 IonicContact OD2-NZ 3.83Å; D1016-K1185 HydrophobicContact CB-CD 4.21Å; D1016-K1185 WeakPolarHBondContact OD2-CD 3.21Å; D1016-K1185 WeakPolarHBondContact OD2-CE 2.9Å; D1016-K1185 IonicContact OD2-NZ 3.75Å; D1016-K1185 PolarHBondContact OD2-NZ 2.73Å
1017	T	31.2	Very low	28.4	Very low	56 Å²	56	119.1 Å²	119.1	34%	0.344	67%	0.672	S	S	.	*			trans	-138.5	165.5	-164.9	76.5	0	0	0	0	118.8	L1182 P1183 K1184	T1017-L1182 HydrophobicContact CG2-CD1 4.24Å; T1017-P1183 CarbonylContact C-O 3.46Å; T1017-P1183 WeakPolarHBondContact CA-O 3.32Å; T1017-P1183 VanDerWaalsContact N-C 3.35Å; T1017-P1183 PolarHBondContact N-O 3.04Å; T1017-K1184 WeakPolarHBondContact O-CB 3.4Å; T1017-K1184 WeakPolarHBondContact O-CE 3.5Å; T1017-K1184 WeakPolarHBondContact O-CG 3.32Å; T1017-K1184 PolarHBondContact O-NZ 2.85Å; T1017-K1184 PolarHBondContact OG1-NZ 2.66Å
1018	N	30.3	Very low	28.2	Very low	95 Å²	95	122.6 Å²	122.6	51%	0.508	68%	0.68	S	S	.	*			trans	95.2	154.5	163.8	-54.3	-1.7	0	0	0	118.6
1019	N	30.6	Very low	28.1	Very low	135 Å²	135	122.2 Å²	122.2	72%	0.722	67%	0.674	S	S	*	*			cis	-142.7	154.8	6.1	-102.8	-30	0	0	0	108.7
1020	N	28.3	Very low	28.1	Very low	116 Å²	116	119.4 Å²	119.4	62%	0.62	67%	0.665	S	S	*	*			cis	98.1	106	30	-170.3	15.1	0	0	0	114.9
1021	S	31.4	Very low	27.9	Very low	119 Å²	119	123.3 Å²	123.3	83%	0.832	67%	0.67	S	S	*	*			trans	177.6	113.3	158.7	-77.1	0	0	0	0	108.2
1022	N	26.3	Very low	28.2	Very low	142 Å²	142	123.3 Å²	123.3	76%	0.759	67%	0.67	S	S	*	*			cis	76.9	103.3	47.1	-76.9	-18.9	0	0	0	117
1023	S	30.1	Very low	28.1	Very low	110 Å²	110	124.7 Å²	124.7	77%	0.769	66%	0.661	S	S	*	*			trans	173.5	124.6	133.4	31.7	0	0	0	0	109.4
1024	S	26.5	Very low	28.3	Very low	111 Å²	111	122.9 Å²	122.9	78%	0.776	66%	0.66	S	S	*	*				77	139	85.6	-54.9	0	0	0	0	113.4
1025	I	29.1	Very low	28.2	Very low	144 Å²	144	124.9 Å²	124.9	74%	0.738	67%	0.665	S	S	*	*			cis	-152.3	-179.6	11.5	-123.8	162.5	0	0	0	112.3
1026	Q	23.7	Very low	28.1	Very low	142 Å²	142	127.2 Å²	127.2	66%	0.664	68%	0.676	S	S	*	*			trans	-64.2	156.4	-170.6	-44	115.9	-73.5	0	0	116.5
1027	H	29.2	Very low	28	Very low	143 Å²	143	131.6 Å²	131.6	66%	0.662	70%	0.699	S	S	*	*				176.6	142.2	106.2	-107	-95.6	0	0	0	114.9
1028	Q	26.7	Very low	27.8	Very low	145 Å²	145	133.8 Å²	133.8	68%	0.678	72%	0.723	S	S	*	*			trans	58	130.4	153	-84.6	147.8	-31.1	0	0	120.5
1029	Q	23.9	Very low	27.6	Very low	146 Å²	146	139.5 Å²	139.5	68%	0.682	74%	0.743	S	S	*	*				67	136.1	79.9	-69.4	-167.1	-92	0	0	113.8
1030	D	26.6	Very low	27.5	Very low	135 Å²	135	141.6 Å²	141.6	72%	0.722	75%	0.749	S	S	*	*			cis	-147.4	-156.5	9.7	-100.9	-23.4	0	0	0	112.8
1031	E	24.7	Very low	27.3	Very low	158 Å²	158	141.2 Å²	141.2	74%	0.738	75%	0.75	S	S	*	*			trans	-60.5	169.3	-174	-45.5	-172.5	128	0	0	117.4
1032	D	31	Very low	27.1	Very low	165 Å²	165	145.6 Å²	145.6	88%	0.882	76%	0.755	S	S	*	*			trans	-153.9	153.4	140.8	-149.7	-18.8	0	0	0	113.4
1033	R	26.6	Very low	27	Very low	121 Å²	121	146.3 Å²	146.3	46%	0.457	75%	0.753	S	S	.	*			trans	-149.6	81.9	-173.2	-163.6	-175.7	-165.4	-115.8	11.7	114.8
1034	S	28.5	Very low	26.9	Very low	105 Å²	105	153 Å²	153	73%	0.734	76%	0.762	S	S	*	*			trans	58	123.2	154.1	65.3	0	0	0	0	120
1035	E	28.7	Very low	26.9	Very low	176 Å²	176	154.1 Å²	154.1	82%	0.822	76%	0.759	S	S	*	*			trans	-148.9	178.4	157.2	-142.5	165.6	-142.5	0	0	113.8
1036	I	28	Very low	27	Very low	144 Å²	144	155.4 Å²	155.4	74%	0.738	77%	0.767	S	S	*	*			trans	-136.8	139.2	-169.6	-73.9	176.7	0	0	0	110.9
1037	D	26.9	Very low	27.2	Very low	156 Å²	156	152 Å²	152	83%	0.834	77%	0.77	S	S	*	*			trans	70.9	165.7	162.9	-73.6	-22	0	0	0	120.8
1038	A	27.1	Very low	27.1	Very low	102 Å²	102	151.4 Å²	151.4	84%	0.843	78%	0.776	S	S	*	*			trans	69.7	87.7	169.9	0	0	0	0	0	118.9
1039	F	26.6	Very low	27	Very low	214 Å²	214	152.2 Å²	152.2	94%	0.939	78%	0.779	S	S	*	*			trans	-107.5	116.3	156.5	-119.2	-83.7	0	0	0	110.5
1040	H	26.8	Very low	27.1	Very low	179 Å²	179	151.5 Å²	151.5	83%	0.829	78%	0.78	S	S	*	*			trans	-159.9	147.6	153.3	-132	-69.9	0	0	0	113.9
1041	V	25	Very low	26.9	Very low	109 Å²	109	153.1 Å²	153.1	66%	0.661	78%	0.783	S	S	*	*			trans	69.6	114.2	167.3	-169.2	0	0	0	0	117.6	E1043	V1041-E1043 HydrophobicContact CG1-CG 4.31Å
1042	K	27	Very low	27.1	Very low	211 Å²	211	150.7 Å²	150.7	92%	0.917	78%	0.783	S	S	*	*			trans	-139.5	110.2	132	-112.9	175.4	-176.9	170.6	0	108.6
1043	E	25	Very low	26.9	Very low	156 Å²	156	149.4 Å²	149.4	73%	0.729	78%	0.777	S	S	*	*			trans	-79.2	153.4	169.2	-64.9	-177.3	153.9	0	0	110.4	V1041	V1041-E1043 HydrophobicContact CG1-CG 4.31Å
1044	R	28	Very low	26.9	Very low	251 Å²	251	150 Å²	150	95%	0.947	79%	0.789	S	S	*	*			trans	-139.2	121.1	158.3	-88.1	-173.9	166.7	169.7	-4.9	108.4
1045	N	26.7	Very low	27	Very low	135 Å²	135	152.5 Å²	152.5	72%	0.722	79%	0.788	S	S	*	*			trans	-84.4	148.4	175.9	-76.4	-48	0	0	0	111.5
1046	N	30.9	Very low	26.9	Very low	171 Å²	171	150.6 Å²	150.6	91%	0.914	78%	0.783	S	S	*	*			trans	152.9	121.1	156.8	-81.4	-11.8	0	0	0	108.1
1047	G	27.3	Very low	27	Very low	69 Å²	69	149.6 Å²	149.6	71%	0.711	78%	0.775	S	S	*	*			cis	171	149.6	-12.8	0	0	0	0	0	112.7
1048	V	26.1	Very low	26.9	Very low	132 Å²	132	151 Å²	151	80%	0.8	77%	0.769	S	S	*	*			trans	74.7	139.4	151.7	-179.9	0	0	0	0	120.8
1049	H	26.2	Very low	27	Very low	161 Å²	161	152.9 Å²	152.9	75%	0.745	76%	0.76	S	S	*	*			trans	78.4	103.5	162.4	-77.3	-45.8	0	0	0	124.4
1050	L	25.2	Very low	27.1	Very low	131 Å²	131	147.9 Å²	147.9	69%	0.686	74%	0.743	S	S	*	*				52.1	118.4	122	-63.5	175.1	0	0	0	124
1051	E	23.4	Very low	27.1	Very low	169 Å²	169	147.1 Å²	147.1	79%	0.79	74%	0.738	S	S	*	*				52.3	114	128.2	-60.7	-170.2	151.2	0	0	123.3
1052	S	28	Very low	27.6	Very low	107 Å²	107	146.6 Å²	146.6	75%	0.748	74%	0.737	S	S	*	*				141.4	124.7	105.9	65.2	0	0	0	0	118
1053	N	26.5	Very low	27.6	Very low	139 Å²	139	145.1 Å²	145.1	74%	0.743	73%	0.733	S	S	*	*			trans	64.3	132.5	142.2	-62.9	-25.7	0	0	0	125
1054	N	27.9	Very low	27.7	Very low	133 Å²	133	147 Å²	147	71%	0.711	74%	0.739	S	S	*	*			trans	64.4	129.7	150.2	-58.9	-27	0	0	0	118.4
1055	H	30.6	Very low	27.4	Very low	157 Å²	157	142.6 Å²	142.6	73%	0.727	73%	0.729	S	S	*	*			cis	-144.6	153.7	32.6	-95.6	-45.9	0	0	0	112.2
1056	L	26.2	Very low	27.5	Very low	136 Å²	136	144.6 Å²	144.6	71%	0.712	73%	0.731	S	S	*	*				46.3	134.6	94.5	-94.8	84.7	0	0	0	115.6
1057	H	28.7	Very low	27.2	Very low	124 Å²	124	143.6 Å²	143.6	57%	0.574	72%	0.721	S	S	*	*			cis	-169	142.5	-1.5	-155.1	47.6	0	0	0	112
1058	R	26.5	Very low	27.2	Very low	186 Å²	186	147.7 Å²	147.7	70%	0.702	73%	0.726	S	S	*	*			trans	52.1	156.4	149.2	-79	-174.7	170.6	138.5	-11.8	119.9
1059	Q	28.7	Very low	27.3	Very low	140 Å²	140	147.2 Å²	147.2	65%	0.654	72%	0.718	S	S	*	*			cis	-157.8	143.9	14.4	-141.7	158.9	-22.7	0	0	113.6
1060	D	28.7	Very low	27.4	Very low	110 Å²	110	145.9 Å²	145.9	59%	0.588	72%	0.721	S	S	*	*			trans	39.1	152.2	136.3	-59.7	1	0	0	0	122.5
1061	F	27	Very low	27.4	Very low	163 Å²	163	142.8 Å²	142.8	72%	0.715	72%	0.721	S	S	*	*			cis	-168.7	173	-3.3	-109.9	-47.6	0	0	0	106
1062	P	34.4	Very low	27.6	Very low	97 Å²	97	144 Å²	144	63%	0.63	72%	0.723	S	S	*	*			cis	-134.7	142.2	-12.5	35.2	-15.8	0	0	0	116.4
1063	Q	27.5	Very low	27.5	Very low	180 Å²	180	143.7 Å²	143.7	84%	0.841	72%	0.72	S	S	*	*			trans	-83	149.1	141.1	-74.7	-175.4	-12.4	0	0	109.2
1064	F	26.4	Very low	27.6	Very low	195 Å²	195	143.6 Å²	143.6	86%	0.855	72%	0.719	S	S	*	*			trans	-112.8	57.8	-178.4	-134.4	-76.8	0	0	0	112.1
1065	E	23.7	Very low	27.6	Very low	160 Å²	160	145 Å²	145	75%	0.748	72%	0.721	S	S	*	*			trans	-104.8	128.6	161	-174.5	163.8	-139.5	0	0	108.4
1066	K	27.6	Very low	27.4	Very low	176 Å²	176	144 Å²	144	77%	0.765	72%	0.721	S	S	*	*			trans	-140.8	104.2	172.8	-88.2	-158	172	-170.9	0	111.6
1067	Q	25.7	Very low	27.4	Very low	150 Å²	150	142 Å²	142	70%	0.701	72%	0.718	S	S	*	*			trans	-75.6	154.6	149	-57.8	178.9	8.4	0	0	109.8
1068	L	26.5	Very low	27.3	Very low	156 Å²	156	140.6 Å²	140.6	82%	0.817	72%	0.722	S	S	*	*			trans	-147.4	117.2	148.9	-129.1	80.2	0	0	0	103.1
1069	I	29	Very low	27.2	Very low	122 Å²	122	141.4 Å²	141.4	63%	0.626	73%	0.726	S	S	*	*				53.9	95.7	56.9	-49.5	-177.8	0	0	0	109
1070	V	26.5	Very low	27.1	Very low	133 Å²	133	140.9 Å²	140.9	81%	0.806	73%	0.728	S	S	*	*			cis	101.6	128.7	41.1	172.3	0	0	0	0	112
1071	G	26.1	Very low	27.1	Very low	66 Å²	66	142.1 Å²	142.1	68%	0.68	74%	0.739	S	S	*	*			trans	149.7	94.7	-171.6	0	0	0	0	0	107.8
1072	K	26.8	Very low	27.1	Very low	193 Å²	193	139.7 Å²	139.7	84%	0.839	74%	0.743	S	S	*	*			cis	55.2	123.6	45.8	-82.7	-172.2	176.6	-177.6	0	110.8
1073	C	27.3	Very low	26.8	Very low	101 Å²	101	139.1 Å²	139.1	68%	0.682	75%	0.754	S	S	*	*			cis	-151.5	172	11.6	-85.1	0	0	0	0	109.5
1074	L	27.9	Very low	26.8	Very low	138 Å²	138	133.9 Å²	133.9	72%	0.723	75%	0.749	S	S	*	*			cis	-166.2	170.3	-17.2	-108.8	171.6	0	0	0	109.4
1075	Q	27	Very low	27	Very low	162 Å²	162	134.3 Å²	134.3	76%	0.757	75%	0.751	S	S	*	*			trans	60	173.7	153.5	-76.4	179.5	-28.6	0	0	119.5
1076	L	26.5	Very low	27	Very low	137 Å²	137	131.7 Å²	131.7	72%	0.717	75%	0.75	S	S	*	*				-158.6	157.5	-52.4	-112.5	177.5	0	0	0	108.3
1077	S	26.4	Very low	27.1	Very low	93 Å²	93	130.7 Å²	130.7	65%	0.65	75%	0.751	S	S	*	*			trans	60.5	158.6	164	33.2	0	0	0	0	118.6
1078	S	26.8	Very low	26.9	Very low	94 Å²	94	127.3 Å²	127.3	66%	0.657	75%	0.745	S	S	*	*			cis	-167.7	149.8	-22.8	50.6	0	0	0	0	113.4
1079	Y	25.7	Very low	27	Very low	203 Å²	203	125 Å²	125	80%	0.796	73%	0.728	S	S	*	*			trans	64.2	121.6	151.1	-69.3	-56.3	0	0	0	124.6
1080	N	25.6	Very low	26.7	Very low	130 Å²	130	123.5 Å²	123.5	70%	0.695	72%	0.718	S	S	*	*			trans	56.7	120.2	130.5	-60.2	-9.6	0	0	0	122.6
1081	T	29.1	Very low	27.2	Very low	135 Å²	135	121.9 Å²	121.9	83%	0.828	71%	0.711	S	S	*	*				172.2	171.2	103.4	34	0	0	0	0	110.1
1082	S	26.6	Very low	27.3	Very low	112 Å²	112	124.4 Å²	124.4	78%	0.783	71%	0.705	S	S	*	*				-169.6	128	-68.5	49.4	0	0	0	0	111.1
1083	G	28.3	Very low	27.3	Very low	85 Å²	85	121.1 Å²	121.1	88%	0.876	70%	0.695	S	S	*	*			trans	123.4	141.7	168.4	0	0	0	0	0	114.9
1084	G	28.1	Very low	27.2	Very low	71 Å²	71	122.8 Å²	122.8	73%	0.732	70%	0.696	S	S	*	*			cis	179.1	172.3	-8.1	0	0	0	0	0	114.2
1085	K	29.6	Very low	27.1	Very low	203 Å²	203	123.1 Å²	123.1	88%	0.883	70%	0.698	S	S	*	*			trans	58.7	99.8	164.5	-66.2	178.2	-178.7	176	0	116.8
1086	S	24.6	Very low	27	Very low	105 Å²	105	119.7 Å²	119.7	73%	0.734	69%	0.691	S	S	*	*				69.9	135.6	90.1	72	0	0	0	0	114.5
1087	I	28.7	Very low	27.1	Very low	155 Å²	155	122.2 Å²	122.2	80%	0.795	70%	0.696	S	S	*	*			cis	-149.4	154.6	49.8	-75.3	172.9	0	0	0	112
1088	S	22.2	Very low	27	Very low	80 Å²	80	121.9 Å²	121.9	56%	0.559	69%	0.694	S	S	*	*			trans	-65.5	155.2	174	64.1	0	0	0	0	113.8
1089	K	27.4	Very low	27	Very low	107 Å²	107	123.8 Å²	123.8	47%	0.465	70%	0.697	S	S	.	*				-171.8	150.4	58.9	-84.9	109.8	173.7	-174.2	0	108.9	T501 K502 H503	T501-K1089 WeakPolarHBondContact O-CB 3.2Å; K502-K1089 HydrophobicContact CB-CB 4.44Å; K502-K1089 HydrophobicContact CB-CG 4.14Å; K502-K1089 WeakPolarHBondContact O-CB 3.32Å; K502-K1089 WeakPolarHBondContact O-CD 3.43Å; K502-K1089 WeakPolarHBondContact O-CG 3.16Å; H503-K1089 VanDerWaalsContact O-CD 3.23Å; H503-K1089 WeakPolarHBondContact O-CD 3.42Å; H503-K1089 WeakPolarHBondContact O-CE 3.33Å; H503-K1089 PolarHBondContact O-NZ 3.4Å
1090	E	24.2	Very low	27.2	Very low	90 Å²	90	122.5 Å²	122.5	42%	0.421	70%	0.695	S	S	.	*			trans	-93.7	173.9	-163.4	-1.6	94.6	85.6	0	0	116.9	K500 T501 K502	K500-E1090 CarbonylContact C-O 3.01Å; K500-E1090 WeakPolarHBondContact CA-OE1 3.35Å; K500-E1090 WeakPolarHBondContact CB-OE1 3.33Å; K500-E1090 PolarHBondContact N-OE1 2.97Å; T501-E1090 CarbonylContact C-O 3.53Å; T501-E1090 WeakPolarHBondContact CA-O 3.18Å; T501-E1090 VanDerWaalsContact N-C 3.32Å; T501-E1090 VanDerWaalsContact N-CD 3.31Å; T501-E1090 PolarHBondContact N-O 2.86Å; T501-E1090 PolarHBondContact N-OE2 2.73Å; T501-E1090 PolarHBondContact O-N 3.3Å; T501-E1090 PolarHBondContact OG1-OE2 3.03Å; K502-E1090 PolarHBondContact N-O 3.41Å; K502-E1090 VanDerWaalsContact N-O 3.1Å
1091	P	36.8	Very low	27.3	Very low	100 Å²	100	122.6 Å²	122.6	65%	0.649	70%	0.696	S	S	*	*			trans	-111.9	-178.4	-177.1	9.7	14.5	0	0	0	115.9	R499 K500	R499-P1091 CarbonylContact C-O 3.11Å; K500-P1091 CarbonylContact C-O 2.95Å; K500-P1091 PolarHBondContact N-O 3.22Å; K500-P1091 CarbonylContact O-C 3.57Å; K500-P1091 VanDerWaalsContact O-C 3.23Å
1092	Q	27.8	Very low	27.3	Very low	119 Å²	119	121.9 Å²	121.9	56%	0.556	68%	0.681	S	S	*	*			trans	-130.4	154.6	169.9	-98.7	-107.3	-42.6	0	0	111.3
1093	I	26.2	Very low	27.4	Very low	124 Å²	124	125.2 Å²	125.2	64%	0.636	68%	0.678	S	S	*	*			trans	86.1	94.2	159.2	-69.3	164.4	0	0	0	117.5
1094	I	25.4	Very low	27.4	Very low	135 Å²	135	126.3 Å²	126.3	69%	0.692	67%	0.672	S	S	*	*				72.9	120	122.3	-68	177.1	0	0	0	119.7
1095	L	26.2	Very low	27.5	Very low	146 Å²	146	129 Å²	129	76%	0.764	67%	0.67	S	S	*	*			trans	57.5	99.7	154.4	-63.5	169.4	0	0	0	116.7
1096	S	24.4	Very low	27.4	Very low	89 Å²	89	122.9 Å²	122.9	62%	0.622	65%	0.646	S	S	*	*				75.2	-177.6	76.7	81.2	0	0	0	0	113.8
1097	K	27.9	Very low	27.6	Very low	190 Å²	190	120.3 Å²	120.3	83%	0.826	62%	0.624	S	S	*	*			trans	77	144.7	-177.9	-63.1	179.6	-178.3	178.6	0	114.1
1098	S	25.6	Very low	27.6	Very low	86 Å²	86	115.5 Å²	115.5	60%	0.601	61%	0.608	S	S	*	*			cis	-174.3	166.6	-10.4	49.6	0	0	0	0	112.3
1099	N	25.9	Very low	28.1	Very low	134 Å²	134	121.9 Å²	121.9	72%	0.717	63%	0.626	S	S	*	*			trans	32.6	133	134	-51.5	8.4	0	0	0	120.1
1100	K	30.2	Very low	28.1	Very low	176 Å²	176	119.6 Å²	119.6	77%	0.765	63%	0.632	S	S	*	*	S	Bend		-141	138.8	127.9	-89.7	120.7	176	-169.2	0	107	K1102	K1100-K1102 HydrophobicContact CG-CD 4.42Å
1101	N	28.8	Very low	28.4	Very low	133 Å²	133	124.6 Å²	124.6	71%	0.711	65%	0.652	S	S	*	*			cis	-127	154.2	5.6	-79.9	-46.6	0	0	0	110.5
1102	K	29.1	Very low	28	Very low	120 Å²	120	122.9 Å²	122.9	52%	0.522	65%	0.653	S	S	.	*			cis	83	143.8	36.7	-71.2	-178.9	160.3	-154.8	0	113.9	K1100	K1100-K1102 HydrophobicContact CG-CD 4.42Å
1103	Y	27.7	Very low	28	Very low	182 Å²	182	123.7 Å²	123.7	71%	0.714	66%	0.662	S	S	*	*			cis	-107.5	-101.8	19	-130.3	-68.6	0	0	0	118.6
1104	S	28.9	Very low	27.9	Very low	107 Å²	107	124.8 Å²	124.8	75%	0.748	66%	0.664	S	S	*	*			cis	-157.6	176.1	7.3	-65.8	0	0	0	0	112.5
1105	N	30.1	Very low	27.9	Very low	127 Å²	127	124.4 Å²	124.4	68%	0.679	66%	0.663	S	S	*	*			trans	-107.9	148.8	-165.8	-71.1	-19	0	0	0	112.8
1106	L	27	Very low	27.8	Very low	76 Å²	76	123.9 Å²	123.9	40%	0.398	66%	0.661	S	S	.	*				62.1	130.6	61.1	-63.2	159	0	0	0	112.1
1107	N	29.5	Very low	27.9	Very low	50 Å²	50	125.1 Å²	125.1	27%	0.267	66%	0.66	S	S	.	*			cis	-124.8	-147.9	25.9	-111.8	-31.8	0	0	0	115.5	R485 N1927 N1928	R485-N1107 PolarHBondContact NH1-OD1 2.98Å; R485-N1107 PolarHBondContact NH2-OD1 3.22Å; N1107-N1927 WeakPolarHBondContact CB-O 3.35Å; N1107-N1927 WeakPolarHBondContact ND2-CB 3Å; N1107-N1927 PolarHBondContact ND2-O 2.94Å; N1107-N1928 HydrophobicContact CB-CB 4.37Å; N1107-N1928 PolarHBondContact N-OD1 3.02Å
1108	A	28.2	Very low	27.7	Very low	54 Å²	54	123.1 Å²	123.1	45%	0.446	66%	0.659	S	S	.	*			trans	-169.3	158.9	-157	0	0	0	0	0	115.1
1109	K	32.9	Very low	27.7	Very low	215 Å²	215	122.6 Å²	122.6	94%	0.935	67%	0.666	S	S	*	*			trans	-149.2	157.4	166	-87.2	169.1	173.6	173.4	0	108
1110	G	27.4	Very low	27.8	Very low	59 Å²	59	124.1 Å²	124.1	61%	0.608	67%	0.674	S	S	*	*			cis	139.7	117.6	-14.1	0	0	0	0	0	114.2
1111	K	31	Very low	27.5	Very low	194 Å²	194	121.9 Å²	121.9	84%	0.843	67%	0.666	S	S	*	*			trans	75.8	149.8	-172.6	-48	173.5	-176.3	179.5	0	113.8
1112	G	28.8	Very low	27.3	Very low	65 Å²	65	121.8 Å²	121.8	67%	0.67	67%	0.67	S	S	*	*			cis	168.5	143.7	-13	0	0	0	0	0	114.5
1113	N	26	Very low	27.2	Very low	136 Å²	136	121.5 Å²	121.5	73%	0.727	68%	0.675	S	S	*	*			trans	12.9	147.1	135.5	-63.9	41.7	0	0	0	119.3
1114	E	25.2	Very low	27.1	Very low	146 Å²	146	120.8 Å²	120.8	68%	0.682	68%	0.675	S	S	*	*			cis	-172.9	-179.9	4.3	-117	159.3	174	0	0	110.8
1115	N	25.7	Very low	26.9	Very low	127 Å²	127	120.6 Å²	120.6	68%	0.679	67%	0.674	S	S	*	*			trans	80.9	125.7	157.2	-62.8	-27.2	0	0	0	118.9
1116	L	24.1	Very low	26.7	Very low	136 Å²	136	120.3 Å²	120.3	71%	0.712	68%	0.677	S	S	*	*				70	137.8	85.5	-57.5	169.2	0	0	0	112.9
1117	N	25.3	Very low	26.7	Very low	115 Å²	115	124.4 Å²	124.4	62%	0.615	70%	0.699	S	S	*	*			cis	-161.7	147	9	-122.2	-12.9	0	0	0	113.9
1118	N	25.3	Very low	26.7	Very low	148 Å²	148	128.7 Å²	128.7	79%	0.791	73%	0.726	S	S	*	*			trans	45.9	130.1	142.9	-55.2	-23.2	0	0	0	125.1
1119	G	25.6	Very low	26.6	Very low	74 Å²	74	133.2 Å²	133.2	76%	0.763	74%	0.743	S	S	*	*			trans	101.6	138.5	149.1	0	0	0	0	0	116.2
1120	L	26.4	Very low	26.2	Very low	166 Å²	166	131 Å²	131	87%	0.869	74%	0.736	S	S	*	*			cis	-148.4	-169.2	-9	-142	119.6	0	0	0	110.4
1121	E	25.1	Very low	26.1	Very low	129 Å²	129	134.5 Å²	134.5	60%	0.603	74%	0.741	S	S	*	*			trans	-74.8	159.6	-173.7	-56.5	173.8	134.5	0	0	112.5	K458	K458-E1121 IonicContact NZ-OE1 2.59Å; K458-E1121 PolarHBondContact NZ-OE1 3.46Å
1122	T	24.1	Very low	25.8	Very low	131 Å²	131	136.8 Å²	136.8	80%	0.804	74%	0.744	S	S	*	*			cis	-135.8	-175.7	29.3	54.8	0	0	0	0	111
1123	D	26.8	Very low	25.7	Very low	114 Å²	114	140.1 Å²	140.1	61%	0.61	75%	0.752	S	S	*	*			cis	-151.5	-173.2	15.8	-156.7	-1.5	0	0	0	113.2
1124	K	26.3	Very low	26	Very low	167 Å²	167	139.5 Å²	139.5	73%	0.726	76%	0.755	S	S	*	*			trans	-50.1	146.1	-169.4	-41.2	107.5	-170.8	156	0	115.5
1125	S	24.9	Very low	25.9	Very low	104 Å²	104	140.4 Å²	140.4	73%	0.727	76%	0.759	S	S	*	*				175.5	167.6	63.7	50.4	0	0	0	0	114.1
1126	T	25.3	Very low	26.1	Very low	121 Å²	121	141.3 Å²	141.3	74%	0.742	76%	0.759	S	S	*	*			trans	-6.5	144.8	160.6	48.4	0	0	0	0	120.4
1127	L	27	Very low	26.2	Very low	162 Å²	162	138.6 Å²	138.6	85%	0.848	75%	0.745	S	S	*	*			cis	-151.9	127.9	8.6	-113.7	158.4	0	0	0	108.5
1128	V	29.2	Very low	26	Very low	140 Å²	140	141.3 Å²	141.3	85%	0.848	75%	0.748	S	S	*	*			trans	-90.3	135	-170.4	-179.2	0	0	0	0	112.5
1129	N	25.8	Very low	26	Very low	148 Å²	148	139.8 Å²	139.8	79%	0.791	74%	0.743	S	S	*	*			trans	-43.2	151.9	169.7	-57.6	-74	0	0	0	113.9
1130	E	24.5	Very low	25.8	Very low	170 Å²	170	139.2 Å²	139.2	79%	0.794	73%	0.727	S	S	*	*				-154.6	141.4	122.8	-116.8	-164.5	-131.9	0	0	114.2
1131	N	26	Very low	26	Very low	132 Å²	132	142.3 Å²	142.3	71%	0.706	73%	0.728	S	S	*	*			trans	45.1	124.4	147.1	-69.8	-41.1	0	0	0	122.8
1132	R	25.3	Very low	25.9	Very low	241 Å²	241	137.1 Å²	137.1	91%	0.909	71%	0.707	S	S	*	*			trans	-32.4	142.4	161.9	-63	170.8	174.5	175.8	-3.1	114.9
1133	T	26.3	Very low	25.9	Very low	136 Å²	136	134.7 Å²	134.7	83%	0.834	68%	0.684	S	S	*	*	S	Bend	trans	-53.4	162.7	172.8	46.8	0	0	0	0	114.9
1134	P	31.9	Very low	25.7	Very low	122 Å²	122	134.4 Å²	134.4	79%	0.792	68%	0.679	S	S	*	*			cis	-123.3	158.5	2	37.8	-23.5	0	0	0	115.5
1135	Q	23.9	Very low	25.6	Very low	166 Å²	166	130 Å²	130	78%	0.776	67%	0.669	S	S	*	*			trans	-118.7	173.7	170.2	-66.2	178.8	-22.6	0	0	111.3
1136	H	29.4	Very low	25.7	Very low	146 Å²	146	129.8 Å²	129.8	68%	0.676	67%	0.673	S	S	*	*			trans	69.7	151	160.2	-73.7	-85.1	0	0	0	119
1137	L	25.2	Very low	25.6	Very low	79 Å²	79	130 Å²	130	41%	0.414	67%	0.67	S	S	.	*			cis	-163.9	168.9	-39.7	-142.6	83.3	0	0	0	108.5	G440 I441	G440-L1137 VanDerWaalsContact O-CD1 3.31Å; G440-L1137 WeakPolarHBondContact O-CD1 2.93Å; I441-L1137 HydrophobicContact CG2-CG 4.12Å
1138	Y	22.7	Very low	25.6	Very low	172 Å²	172	125 Å²	125	68%	0.675	65%	0.652	S	S	*	*			trans	-70.2	156.8	155	-60.3	145.5	0	0	0	105.4	I441	I441-Y1138 HydrophobicContact CB-CD1 4.3Å; I441-Y1138 HydrophobicContact CB-CD2 4.43Å; I441-Y1138 HydrophobicContact CB-CG 4.21Å; I441-Y1138 HydrophobicContact CD1-CD2 3.27Å; I441-Y1138 HydrophobicContact CD1-CE2 3.64Å; I441-Y1138 HydrophobicContact CD1-CG 3.81Å; I441-Y1138 HydrophobicContact CG1-CD2 4.34Å; I441-Y1138 HydrophobicContact CG1-CG 4.47Å; I441-Y1138 VanDerWaalsContact CG2-CB 3.48Å; I441-Y1138 HydrophobicContact CG2-CD1 3.25Å; I441-Y1138 HydrophobicContact CG2-CD2 3.93Å; I441-Y1138 HydrophobicContact CG2-CE1 3.87Å; I441-Y1138 HydrophobicContact CG2-CE2 4.45Å; I441-Y1138 HydrophobicContact CG2-CG 3.25Å
1139	V	24.6	Very low	25.4	Very low	115 Å²	115	122.5 Å²	122.5	70%	0.697	64%	0.637	S	S	*	*				-163.2	151	109.1	136.3	0	0	0	0	109.7
1140	S	22	Very low	25.4	Very low	62 Å²	62	122.2 Å²	122.2	43%	0.434	64%	0.635	S	S	.	*			trans	-30.5	136.4	168.3	-52.2	0	0	0	0	117.5	S831	S831-S1140 WeakPolarHBondContact O-CB 3.27Å; S831-S1140 PolarHBondContact O-OG 3.14Å
1141	R	29.3	Very low	25.6	Very low	231 Å²	231	119 Å²	119	87%	0.872	62%	0.623	S	S	*	*			trans	-169	105.5	137	-100.6	157.2	-160	-142.2	6.1	109.1
1142	A	22.6	Very low	25.7	Very low	21 Å²	21	117.5 Å²	117.5	17%	0.174	63%	0.628	C	S	.	*				-41.3	151.4	107.1	0	0	0	0	0	115.3	S831 K840	S831-A1142 WeakPolarHBondContact OG-CB 3.47Å; K840-A1142 VanDerWaalsContact CE-CB 3.4Å
1143	Y	25.6	Very low	26	Very low	79 Å²	79	111 Å²	111	31%	0.31	61%	0.611	S	S	.	*			cis	-160.2	148.9	17.9	-141.2	-11.7	0	0	0	109.5	K840	K840-Y1143 VanDerWaalsContact CA-OH 3.27Å; K840-Y1143 WeakPolarHBondContact CA-OH 3.33Å; K840-Y1143 HydrophobicContact CB-CE2 4.17Å; K840-Y1143 WeakPolarHBondContact CB-OH 2.97Å; K840-Y1143 HydrophobicContact CD-CD2 4.37Å; K840-Y1143 HydrophobicContact CD-CE1 3.98Å; K840-Y1143 HydrophobicContact CD-CE2 3.69Å; K840-Y1143 VanDerWaalsContact CD-CZ 3.49Å; K840-Y1143 VanDerWaalsContact CE-CZ 3.44Å; K840-Y1143 HydrophobicContact CG-CD2 4.43Å; K840-Y1143 HydrophobicContact CG-CE2 3.53Å
1144	E	23.1	Very low	26.3	Very low	108 Å²	108	109.6 Å²	109.6	51%	0.505	60%	0.604	S	S	.	*			trans	53.8	-174.2	160.4	-71.8	161.2	-134.9	0	0	114.3	R843	R843-E1144 IonicContact CZ-OE1 2.72Å; R843-E1144 IonicContact CZ-OE2 2.66Å; R843-E1144 IonicContact NH1-OE1 2.9Å; R843-E1144 PolarHBondContact NH1-OE1 3.11Å; R843-E1144 IonicContact NH1-OE2 2.58Å; R843-E1144 PolarHBondContact NH1-OE2 2.98Å
1145	S	23	Very low	26.2	Very low	76 Å²	76	108 Å²	108	53%	0.531	59%	0.589	S	S	.	*			cis	-141.9	142.9	-10.4	18.1	0	0	0	0	105.9	E894	E894-S1145 WeakPolarHBondContact OE2-CB 3.14Å; E894-S1145 PolarHBondContact OE2-OG 2.87Å
1146	A	26.4	Very low	26.4	Very low	98 Å²	98	104.8 Å²	104.8	81%	0.81	58%	0.577	S	S	*	*			trans	-157.8	60.5	-173.5	0	0	0	0	0	113.4
1147	D	24.3	Very low	26.6	Very low	126 Å²	126	105.5 Å²	105.5	67%	0.674	58%	0.578	S	S	*	*			trans	-131.1	113.8	155.2	-85.3	-29.1	0	0	0	107	E891	E891-D1147 HydrophobicContact CG-CB 4.14Å; E891-D1147 WeakPolarHBondContact OE1-CB 3.36Å
1148	A	26.2	Very low	26.9	Very low	57 Å²	57	106.7 Å²	106.7	47%	0.471	59%	0.592	S	S	.	*			trans	48.5	175.3	168.4	0	0	0	0	0	120.6	E891	E891-A1148 WeakPolarHBondContact OE1-CB 3.45Å; E891-A1148 WeakPolarHBondContact OE2-CB 3.28Å
1149	V	26.3	Very low	27.3	Very low	88 Å²	88	105.4 Å²	105.4	53%	0.533	60%	0.597	S	S	.	*			cis	-112.8	150.4	-15.3	176.2	0	0	0	0	109.5	R895	R895-V1149 PolarHBondContact NH1-O 2.99Å
1150	L	25.4	Very low	27.5	Very low	142 Å²	142	103.4 Å²	103.4	74%	0.743	60%	0.6	S	S	*	*			trans	-102.1	131.4	162.6	-125.7	175	0	0	0	107.8
1151	N	27.7	Very low	27.9	Very low	103 Å²	103	107.8 Å²	107.8	55%	0.551	62%	0.617	S	S	*	*			trans	176.8	151.4	131	-85.4	-4.5	0	0	0	112.1	E1006	E1006-N1151 VanDerWaalsContact CD-CG 3.48Å; E1006-N1151 VanDerWaalsContact OE1-CB 3.29Å; E1006-N1151 WeakPolarHBondContact OE1-CB 3.49Å; E1006-N1151 VanDerWaalsContact OE1-CG 3.26Å; E1006-N1151 PolarHBondContact OE1-ND2 2.78Å
1152	A	28.7	Very low	27.9	Very low	99 Å²	99	104 Å²	104	82%	0.818	61%	0.612	S	S	*	*			trans	161.6	77.3	166.4	0	0	0	0	0	108.4
1153	I	30.6	Very low	28.1	Very low	105 Å²	105	106.9 Å²	106.9	54%	0.538	63%	0.631	S	S	.	*			trans	-100.3	160.8	165	-22.5	176.5	0	0	0	107.9
1154	P	33.2	Very low	28.3	Very low	106 Å²	106	112 Å²	112	69%	0.688	66%	0.655	S	S	*	*				-132.6	155.7	83.6	8.3	16.6	0	0	0	113.3
1155	L	29.8	Very low	28.6	Very low	90 Å²	90	114.2 Å²	114.2	47%	0.471	67%	0.669	S	S	.	*				79.6	164.2	57	-59.1	175.9	0	0	0	113.6
1156	D	28.9	Very low	28.8	Very low	98 Å²	98	115.2 Å²	115.2	52%	0.524	68%	0.676	S	S	.	*			cis	-156.6	171.3	9.7	-146.3	14.8	0	0	0	108.3
1157	K	32.7	Very low	28.9	Very low	161 Å²	161	118 Å²	118	70%	0.7	67%	0.673	S	S	*	*			cis	-122.7	-114.4	7	-77.7	166.8	-176.7	171.1	0	110.5
1158	S	31.2	Very low	29.1	Very low	103 Å²	103	118.7 Å²	118.7	72%	0.72	67%	0.672	S	S	*	*			cis	-174.3	161.6	-8.9	18.6	0	0	0	0	108.7
1159	N	30.9	Very low	29.1	Very low	146 Å²	146	124.3 Å²	124.3	78%	0.781	69%	0.688	S	S	*	*			cis	-166.2	145.5	-20.5	-97.8	-6.3	0	0	0	109.5
1160	G	29.5	Very low	29.1	Very low	73 Å²	73	124.9 Å²	124.9	75%	0.753	70%	0.695	S	S	*	*			trans	81	156.3	161.9	0	0	0	0	0	118.9
1161	I	29.8	Very low	29.1	Very low	154 Å²	154	125.4 Å²	125.4	79%	0.79	69%	0.694	S	S	*	*			cis	-164.3	140.7	-9.4	-131	164.9	0	0	0	111.6
1162	I	29.1	Very low	29.4	Very low	151 Å²	151	125.4 Å²	125.4	77%	0.774	70%	0.7	S	S	*	*			trans	61	144.7	153.4	-71	170.1	0	0	0	120.2
1163	S	27.4	Very low	29.3	Very low	82 Å²	82	126.2 Å²	126.2	57%	0.573	69%	0.694	S	S	*	*			cis	-173.3	165	-19.5	67.8	0	0	0	0	113.1
1164	K	29.9	Very low	29	Very low	187 Å²	187	130.9 Å²	130.9	81%	0.813	71%	0.71	S	S	*	*			trans	66.7	151.1	163.9	-60.9	174.6	-178.1	-178.6	0	116.6
1165	L	28.7	Very low	28.6	Very low	153 Å²	153	132.3 Å²	132.3	80%	0.801	72%	0.717	S	S	*	*			cis	-169.5	172.9	-15.2	-94.9	168.9	0	0	0	104.8
1166	S	27.4	Very low	28.2	Very low	97 Å²	97	137.3 Å²	137.3	68%	0.678	74%	0.735	S	S	*	*			cis	-169.9	-173.3	-14.3	51.5	0	0	0	0	106.4
1167	H	29.4	Very low	28.7	Very low	157 Å²	157	138.2 Å²	138.2	73%	0.727	75%	0.746	S	S	*	*			cis	-153.5	-143.9	-1.3	-151.3	-129.2	0	0	0	110.3
1168	E	28.1	Very low	28.3	Very low	140 Å²	140	134.5 Å²	134.5	65%	0.654	75%	0.745	S	S	*	*			trans	10.8	112.9	161.5	-82.9	136.2	-112.6	0	0	120.1
1169	E	27.4	Very low	28	Very low	175 Å²	175	134.5 Å²	134.5	82%	0.818	74%	0.744	S	S	*	*				97.5	138.5	83.2	-84.6	-172.9	-164.6	0	0	112.2
1170	C	25.3	Very low	27.9	Very low	101 Å²	101	136.2 Å²	136.2	68%	0.682	75%	0.745	S	S	*	*			cis	-151.8	149.7	3.2	-129	0	0	0	0	111.2
1171	E	26	Very low	27.9	Very low	152 Å²	152	138.5 Å²	138.5	71%	0.71	74%	0.74	S	S	*	*			trans	39.1	162.2	146.1	-73.8	-93.1	96.5	0	0	123.8
1172	P	33.4	Very low	27.9	Very low	104 Å²	104	135.1 Å²	135.1	68%	0.675	72%	0.723	S	S	*	*			cis	-126.2	139.9	-10.5	22.5	0.3	0	0	0	116.4
1173	V	27.1	Very low	28.4	Very low	115 Å²	115	131.9 Å²	131.9	70%	0.697	71%	0.712	S	S	*	*			trans	49.9	116.2	134.2	-170.3	0	0	0	0	122.1
1174	K	23.3	Very low	28.7	Very low	203 Å²	203	132.1 Å²	132.1	88%	0.883	70%	0.703	S	S	*	*			trans	-156.4	101.2	141.1	-117.7	-165.4	-177.1	-172.4	0	110.4
1175	V	25.6	Very low	28.9	Very low	137 Å²	137	129 Å²	129	83%	0.83	69%	0.689	S	S	*	*			trans	-150.9	146.4	174.4	-131.6	0	0	0	0	115.1
1176	F	22.3	Very low	29.1	Very low	195 Å²	195	126.1 Å²	126.1	86%	0.855	68%	0.682	S	S	*	*			trans	-85.5	-158.8	152.2	-89.6	-96.5	0	0	0	107.9
1177	P	38.8	Very low	29.5	Very low	116 Å²	116	127.9 Å²	127.9	75%	0.753	68%	0.684	S	S	*	*			cis	-135.3	-172.2	-5.2	32.8	-8.3	0	0	0	116.2
1178	A	24.7	Very low	29.7	Very low	83 Å²	83	127.4 Å²	127.4	69%	0.686	68%	0.682	S	S	*	*			trans	-42.3	170.4	156	0	0	0	0	0	116.8
1179	C	24.7	Very low	29.8	Very low	103 Å²	103	127.4 Å²	127.4	70%	0.696	69%	0.686	S	S	*	*			cis	-175	149	-15.2	-100.4	0	0	0	0	109.7
1180	F	28.7	Very low	29.7	Very low	182 Å²	182	124.2 Å²	124.2	80%	0.798	68%	0.678	S	S	*	*			trans	51.7	140.4	149.7	-75.6	-106.8	0	0	0	120.5
1181	D	29.1	Very low	30.4	Very low	121 Å²	121	124.3 Å²	124.3	65%	0.647	68%	0.677	S	S	*	*			cis	-158.4	142.9	-10.7	-140	6.4	0	0	0	114.2
1182	L	30.5	Very low	30.6	Very low	84 Å²	84	126.1 Å²	126.1	44%	0.44	68%	0.683	S	S	.	*			trans	38.8	141	149.2	-79.3	172.9	0	0	0	129.4	D1016 T1017	D1016-L1182 CarbonylContact O-C 3.03Å; T1017-L1182 HydrophobicContact CG2-CD1 4.24Å
1183	P	38	Very low	30.5	Very low	82 Å²	82	128.4 Å²	128.4	53%	0.532	69%	0.688	S	S	.	*			trans	-132.2	-176.6	148.9	26.2	-2.9	0	0	0	115.1	D1016 T1017	D1016-P1183 VanDerWaalsContact C-CA 3.48Å; D1016-P1183 CarbonylContact O-C 3.51Å; D1016-P1183 VanDerWaalsContact O-C 3.28Å; D1016-P1183 WeakPolarHBondContact O-CA 3.23Å; T1017-P1183 CarbonylContact C-O 3.46Å; T1017-P1183 WeakPolarHBondContact CA-O 3.32Å; T1017-P1183 VanDerWaalsContact N-C 3.35Å; T1017-P1183 PolarHBondContact N-O 3.04Å
1184	K	34	Very low	31	Very low	88 Å²	88	128.4 Å²	128.4	38%	0.383	69%	0.69	S	S	.	*			trans	-121.2	-147.2	168.2	-157	-169.6	-100.2	57.4	0	113.1	D1016 T1017	D1016-K1184 HydrophobicContact CB-CB 3.53Å; D1016-K1184 IonicContact OD1-NZ 2.64Å; D1016-K1184 PolarHBondContact OD1-NZ 3.34Å; D1016-K1184 IonicContact OD2-NZ 3.83Å; T1017-K1184 WeakPolarHBondContact O-CB 3.4Å; T1017-K1184 WeakPolarHBondContact O-CE 3.5Å; T1017-K1184 WeakPolarHBondContact O-CG 3.32Å; T1017-K1184 PolarHBondContact O-NZ 2.85Å; T1017-K1184 PolarHBondContact OG1-NZ 2.66Å
1185	K	34.2	Very low	31.9	Very low	120 Å²	120	124.3 Å²	124.3	52%	0.522	68%	0.684	S	S	.	*			cis	-131.7	-174.2	32.7	-132.6	59.5	160.7	173.3	0	114.1	D1015 D1016	D1015-K1185 IonicContact OD1-NZ 2.74Å; D1015-K1185 PolarHBondContact OD1-NZ 3.07Å; D1016-K1185 HydrophobicContact CB-CD 4.21Å; D1016-K1185 WeakPolarHBondContact OD2-CD 3.21Å; D1016-K1185 WeakPolarHBondContact OD2-CE 2.9Å; D1016-K1185 IonicContact OD2-NZ 3.75Å; D1016-K1185 PolarHBondContact OD2-NZ 2.73Å
1186	S	33.5	Very low	32.2	Very low	93 Å²	93	123.1 Å²	123.1	65%	0.65	68%	0.682	S	S	*	*			trans	-79	167.1	-174.1	51.8	0	0	0	0	115.4
1187	D	34.7	Very low	32.7	Very low	135 Å²	135	118.7 Å²	118.7	72%	0.722	68%	0.675	S	S	*	*			cis	-163.3	177	4.8	-130.6	38.4	0	0	0	109.2
1188	Q	33.5	Very low	32.2	Very low	146 Å²	146	123.2 Å²	123.2	68%	0.682	68%	0.678	S	S	*	*			cis	-143.9	-113.4	-3	-160.3	-179.5	97.3	0	0	112.3
1189	L	30.5	Very low	32.6	Very low	141 Å²	141	125.8 Å²	125.8	74%	0.738	68%	0.678	S	S	*	*			cis	-154.3	-157.6	0.7	-137.7	-176.9	0	0	0	111.2
1190	T	25.7	Very low	33.2	Very low	108 Å²	108	125.9 Å²	125.9	66%	0.663	68%	0.678	S	S	*	*			trans	-148.7	-179.8	-167.2	68.1	0	0	0	0	113
1191	P	40.6	Very low	33.3	Very low	102 Å²	102	125.8 Å²	125.8	66%	0.662	68%	0.682	S	S	*	*			cis	-148.3	166.7	10.8	44.2	-23.7	0	0	0	121.6
1192	K	30.9	Very low	33.3	Very low	190 Å²	190	124 Å²	124	83%	0.826	69%	0.692	S	S	*	*			trans	55.4	142.4	139.6	-71.8	174.2	-179.6	178.5	0	121.5
1193	I	30.6	Very low	33.4	Very low	153 Å²	153	123.4 Å²	123.4	79%	0.785	71%	0.706	S	S	*	*			cis	-161.3	142	35.6	-131.5	152.7	0	0	0	112.5
1194	P	38.3	Very low	33.1	Very low	115 Å²	115	126.7 Å²	126.7	75%	0.747	72%	0.719	S	S	*	*			trans	-117.6	162	176.9	41.3	-33.7	0	0	0	114.7
1195	P	42.1	Very low	32.8	Very low	116 Å²	116	128.8 Å²	128.8	75%	0.753	73%	0.734	S	S	*	*			trans	-150.5	162.5	137.5	38.5	-22.6	0	0	0	117.5
1196	S	30.6	Very low	32.5	Very low	113 Å²	113	130.4 Å²	130.4	79%	0.79	75%	0.747	S	S	*	*			trans	72.4	172.9	159.5	100.3	0	0	0	0	116.3
1197	S	32.1	Very low	32.1	Very low	101 Å²	101	130.9 Å²	130.9	71%	0.706	75%	0.75	S	S	*	*			cis	-174.4	-174.7	-31	57.3	0	0	0	0	108.5
1198	R	29.4	Very low	32.4	Very low	212 Å²	212	129.1 Å²	129.1	80%	0.8	75%	0.746	S	S	*	*			cis	-161.8	145.6	5.7	-156.4	-175.3	177.7	-153.8	-1.2	111.7
1199	I	32.1	Very low	32	Very low	137 Å²	137	129.4 Å²	129.4	70%	0.703	75%	0.752	S	S	*	*			trans	70.2	141.2	157.9	-84.8	164.9	0	0	0	118.6
1200	P	38.6	Very low	31.7	Very low	105 Å²	105	127.5 Å²	127.5	68%	0.682	75%	0.751	S	S	*	*				-146.1	-176.4	-126.4	38.4	-15.8	0	0	0	119
1201	M	30.9	Very low	31.7	Very low	179 Å²	179	128.3 Å²	128.3	88%	0.882	76%	0.756	S	S	*	*			trans	141.8	125.2	131.7	-78.5	-57.5	-142.3	0	0	118.4
1202	G	29.2	Very low	30.9	Very low	84 Å²	84	128.5 Å²	128.5	87%	0.866	76%	0.759	S	S	*	*			trans	74	143.9	143.1	0	0	0	0	0	121.9
1203	G	31	Very low	30.7	Very low	71 Å²	71	124.7 Å²	124.7	73%	0.732	76%	0.756	S	S	*	*			cis	153.7	113.5	-21	0	0	0	0	0	118
1204	N	31.6	Very low	30.5	Very low	151 Å²	151	121.9 Å²	121.9	81%	0.807	75%	0.75	S	S	*	*			trans	57.9	161.1	145.4	-66.8	-3.3	0	0	0	122.1
1205	L	27.8	Very low	30	Very low	133 Å²	133	124 Å²	124	70%	0.696	75%	0.754	S	S	*	*			cis	-168.9	161.4	-22.6	-104.7	172.9	0	0	0	111.3
1206	I	28.5	Very low	29.2	Very low	154 Å²	154	123.5 Å²	123.5	79%	0.79	75%	0.752	S	S	*	*			trans	76.4	165.4	152.3	-69.7	159.2	0	0	0	119.2
1207	S	26.2	Very low	29	Very low	102 Å²	102	124.8 Å²	124.8	71%	0.713	75%	0.75	S	S	*	*			trans	-135.2	-169	-162.9	65.5	0	0	0	0	111.4
1208	P	40.2	Very low	28.8	Very low	99 Å²	99	124.2 Å²	124.2	64%	0.643	75%	0.746	S	S	*	*			cis	-131	-169.7	-18.4	40.8	-23.8	0	0	0	114.5
1209	N	24.8	Very low	28.7	Very low	151 Å²	151	121 Å²	121	81%	0.807	75%	0.75	S	S	*	*			trans	87.1	147.4	154.7	-74.8	-7.3	0	0	0	123.5
1210	S	25.6	Very low	28.6	Very low	102 Å²	102	118.7 Å²	118.7	71%	0.713	75%	0.752	S	S	*	*			trans	78.1	101.9	153.7	48.7	0	0	0	0	122.7
1211	T	24.4	Very low	28.1	Very low	125 Å²	125	122.2 Å²	122.2	77%	0.767	76%	0.759	S	S	*	*				60	110.4	125.5	57.9	0	0	0	0	123.1
1212	S	24.3	Very low	28	Very low	105 Å²	105	119.7 Å²	119.7	73%	0.734	75%	0.753	S	S	*	*				89.6	149.1	115.5	77.2	0	0	0	0	122.1
1213	S	26.5	Very low	27.8	Very low	110 Å²	110	119.9 Å²	119.9	77%	0.769	74%	0.741	S	S	*	*			trans	74.1	148.7	160.4	81.3	0	0	0	0	117.6
1214	S	26.1	Very low	27.7	Very low	94 Å²	94	122.8 Å²	122.8	66%	0.657	75%	0.745	S	S	*	*			cis	-171.6	179	-22.7	52.2	0	0	0	0	111
1215	I	28.6	Very low	27.6	Very low	159 Å²	159	120.6 Å²	120.6	82%	0.815	74%	0.737	S	S	*	*			trans	82.7	149.4	164.5	-58.9	162.6	0	0	0	115.1
1216	C	24.8	Very low	27.8	Very low	106 Å²	106	122.4 Å²	122.4	72%	0.716	74%	0.742	S	S	*	*			trans	-138.9	174.9	-157.2	-53.4	0	0	0	0	112.9
1217	D	26.6	Very low	27.9	Very low	140 Å²	140	118.8 Å²	118.8	75%	0.749	73%	0.73	S	S	*	*			trans	83.2	94	148.9	-74.6	-60.9	0	0	0	122.9
1218	S	27.8	Very low	28.1	Very low	90 Å²	90	121.3 Å²	121.3	63%	0.629	74%	0.735	S	S	*	*				84	116.1	103.3	-65.6	0	0	0	0	122.7
1219	T	28.1	Very low	27.7	Very low	144 Å²	144	125.4 Å²	125.4	88%	0.883	75%	0.746	S	S	*	*			trans	68.9	139.4	149.2	61.6	0	0	0	0	119.1
1220	A	28.4	Very low	27.9	Very low	89 Å²	89	124.4 Å²	124.4	74%	0.736	75%	0.745	S	S	*	*			cis	-156.8	-145.7	-11.3	0	0	0	0	0	107.8
1221	H	28	Very low	28.4	Very low	179 Å²	179	124.5 Å²	124.5	83%	0.829	74%	0.744	S	S	*	*			cis	-169.9	-174	4.1	-153.8	20.4	0	0	0	110.7
1222	V	28.6	Very low	28.6	Very low	126 Å²	126	126.5 Å²	126.5	76%	0.764	74%	0.744	S	S	*	*			trans	69.7	147	168.6	-174	0	0	0	0	117.2
1223	S	26.2	Very low	28.7	Very low	88 Å²	88	129.5 Å²	129.5	62%	0.615	75%	0.745	S	S	*	*			cis	-172.2	161.5	-36.3	-84.6	0	0	0	0	110.6
1224	T	28.5	Very low	28.8	Very low	131 Å²	131	132.2 Å²	132.2	80%	0.804	75%	0.75	S	S	*	*			trans	65.6	150.8	158.5	42.5	0	0	0	0	118.4
1225	T	30.1	Very low	29	Very low	106 Å²	106	133.4 Å²	133.4	65%	0.65	76%	0.758	S	S	*	*			cis	-160.5	155.6	9.9	-3.3	0	0	0	0	112.4
1226	H	31.6	Very low	29.4	Very low	171 Å²	171	131.3 Å²	131.3	79%	0.792	75%	0.754	S	S	*	*			trans	60.3	158.6	156.6	-73.9	-72.9	0	0	0	120.8
1227	S	30.3	Very low	29.5	Very low	78 Å²	78	131.5 Å²	131.5	55%	0.545	75%	0.753	S	S	.	*			cis	-173.8	150.8	-42.7	49.9	0	0	0	0	111.6
1228	N	29.9	Very low	29.6	Very low	154 Å²	154	131.3 Å²	131.3	82%	0.824	75%	0.752	S	S	*	*			trans	72.3	151.5	174.1	-51.7	-24.7	0	0	0	115
1229	Q	32	Very low	29.5	Very low	185 Å²	185	135.2 Å²	135.2	86%	0.864	76%	0.76	S	S	*	*			cis	-146.7	168.9	19.4	-146.1	162.7	28.4	0	0	112.7
1230	T	28.8	Very low	29.4	Very low	130 Å²	130	133.7 Å²	133.7	80%	0.798	76%	0.755	S	S	*	*			trans	-92.5	-178.9	-177.4	51	0	0	0	0	112.8
1231	P	36.6	Very low	29.1	Very low	105 Å²	105	133.6 Å²	133.6	68%	0.682	75%	0.754	S	S	*	*			cis	-139.5	176.4	7.3	44.1	-26.2	0	0	0	117.8
1232	E	27.9	Very low	29	Very low	166 Å²	166	135.6 Å²	135.6	78%	0.776	76%	0.756	S	S	*	*			trans	55.6	142.7	153.7	-71	-179.5	-169.9	0	0	120.9
1233	F	27.9	Very low	29.1	Very low	169 Å²	169	138.4 Å²	138.4	74%	0.741	76%	0.76	S	S	*	*			cis	-151.9	165.6	-4.3	-128.4	-64.5	0	0	0	108.7
1234	L	28.1	Very low	29.1	Very low	167 Å²	167	140.8 Å²	140.8	87%	0.874	77%	0.771	S	S	*	*			trans	78.1	112.8	174.3	-55.9	170.2	0	0	0	118.1
1235	S	29.3	Very low	29.2	Very low	118 Å²	118	142.3 Å²	142.3	83%	0.825	77%	0.773	S	S	*	*			trans	-159.2	143.5	161.5	60.4	0	0	0	0	111.6
1236	P	36.9	Very low	29.4	Very low	115 Å²	115	143 Å²	143	75%	0.747	78%	0.78	S	S	*	*			trans	-101.9	151.4	-175.7	37.8	-34.5	0	0	0	116.3
1237	T	28.2	Very low	29.1	Very low	111 Å²	111	138 Å²	138	68%	0.681	77%	0.774	S	S	*	*			trans	56.8	116.6	147.4	53.4	0	0	0	0	122.6
1238	N	29	Very low	29	Very low	136 Å²	136	139.2 Å²	139.2	73%	0.727	78%	0.783	S	S	*	*			trans	69.7	143.4	133.4	-53.6	-17	0	0	0	118.8
1239	H	25.9	Very low	28.9	Very low	172 Å²	172	138.1 Å²	138.1	80%	0.796	78%	0.782	S	S	*	*			cis	-137.6	157.2	28.7	-102.2	-90.9	0	0	0	115.8
1240	S	24.5	Very low	28.8	Very low	112 Å²	112	133.9 Å²	133.9	78%	0.783	77%	0.773	S	S	*	*			trans	85.9	133.2	151.8	77.3	0	0	0	0	121.3
1241	A	23.9	Very low	28.9	Very low	87 Å²	87	135.6 Å²	135.6	72%	0.719	77%	0.772	S	S	*	*			trans	63.3	61.7	143.9	0	0	0	0	0	121.2
1242	Y	26	Very low	28.5	Very low	221 Å²	221	136.1 Å²	136.1	87%	0.867	77%	0.768	S	S	*	*			trans	-148.1	136.2	138.4	-87.1	-71.7	0	0	0	111.2
1243	H	28.8	Very low	28.4	Very low	185 Å²	185	137.2 Å²	137.2	86%	0.856	77%	0.77	S	S	*	*				171.8	113.4	124.5	-97.4	-67.7	0	0	0	111.6
1244	T	27.7	Very low	28.3	Very low	138 Å²	138	133.1 Å²	133.1	85%	0.847	76%	0.762	S	S	*	*			trans	-110.6	149.7	153.5	-43.8	0	0	0	0	107.3
1245	L	30.6	Very low	28.2	Very low	162 Å²	162	131.3 Å²	131.3	85%	0.848	76%	0.759	S	S	*	*			trans	-69.4	151.4	-175.2	-65.9	155.4	0	0	0	111.2
1246	P	33	Very low	28	Very low	120 Å²	120	136.3 Å²	136.3	78%	0.779	76%	0.761	S	S	*	*				-121.2	168	81.1	39.4	-34.6	0	0	0	112
1247	G	26.9	Very low	28.1	Very low	66 Å²	66	135.4 Å²	135.4	68%	0.68	76%	0.755	S	S	*	*			cis	95.5	139.8	19.9	0	0	0	0	0	110.7
1248	S	26.3	Very low	27.9	Very low	105 Å²	105	137.9 Å²	137.9	73%	0.734	76%	0.759	S	S	*	*			cis	-167.8	-156.3	0.7	61.6	0	0	0	0	109.6
1249	T	29.5	Very low	27.8	Very low	130 Å²	130	138 Å²	138	80%	0.798	76%	0.764	S	S	*	*			trans	73.7	141.5	173.3	75.1	0	0	0	0	116.3
1250	S	29.2	Very low	27.9	Very low	96 Å²	96	133.5 Å²	133.5	67%	0.671	77%	0.765	S	S	*	*			cis	-159.7	165	-18	49.4	0	0	0	0	107.5
1251	Q	30.5	Very low	28.1	Very low	166 Å²	166	137.6 Å²	137.6	78%	0.776	77%	0.771	S	S	*	*			cis	-168.3	171.6	48.5	-76.8	-168	-3	0	0	107.9
1252	I	28	Very low	28.1	Very low	117 Å²	117	144.1 Å²	144.1	60%	0.6	78%	0.779	S	S	*	*			cis	-166.2	135.6	-16.5	-104.9	172.1	0	0	0	107.5
1253	F	27	Very low	28.6	Very low	189 Å²	189	138.5 Å²	138.5	83%	0.829	77%	0.77	S	S	*	*			trans	57.3	157.9	150.3	-73.3	-124.9	0	0	0	120.1
1254	S	25	Very low	28.4	Very low	82 Å²	82	137.1 Å²	137.1	57%	0.573	77%	0.768	S	S	*	*			cis	-167.3	175.1	-19	55.3	0	0	0	0	112.3
1255	T	27.2	Very low	28.4	Very low	129 Å²	129	136.6 Å²	136.6	79%	0.791	76%	0.764	S	S	*	*			trans	68.7	124.1	145.6	41.4	0	0	0	0	123.1
1256	Y	25	Very low	28.2	Very low	223 Å²	223	132.8 Å²	132.8	88%	0.875	76%	0.756	S	S	*	*			trans	-56.9	-176.9	147.8	-76.7	-95.7	0	0	0	113.1
1257	P	38.1	Very low	28	Very low	96 Å²	96	134.2 Å²	134.2	62%	0.623	75%	0.752	S	S	*	*			cis	-136.5	-166.9	-5.6	15.7	13.2	0	0	0	115.4
1258	H	25.3	Very low	28.1	Very low	163 Å²	163	140.2 Å²	140.2	76%	0.755	76%	0.756	S	S	*	*			trans	100.5	130.1	142.2	-81.9	-61.6	0	0	0	123.8
1259	T	26.7	Very low	28.5	Very low	138 Å²	138	140.4 Å²	140.4	85%	0.847	75%	0.754	S	S	*	*			trans	65.3	122.6	147.6	51.5	0	0	0	0	121.3
1260	G	27.7	Very low	28.5	Very low	78 Å²	78	138.7 Å²	138.7	80%	0.804	75%	0.753	S	S	*	*			trans	172.8	123.6	169.1	0	0	0	0	0	109.8
1261	Q	27.9	Very low	28.5	Very low	198 Å²	198	142 Å²	142	93%	0.925	76%	0.763	S	S	*	*			trans	-92.7	159.2	-161.4	-67.9	166.3	-33	0	0	115
1262	Y	23.9	Very low	28.5	Very low	224 Å²	224	139.6 Å²	139.6	88%	0.878	76%	0.761	S	S	*	*			trans	-46	168.8	154.1	-76.4	-72.6	0	0	0	114.2
1263	P	37.1	Very low	28.7	Very low	104 Å²	104	139.4 Å²	139.4	68%	0.675	77%	0.767	S	S	*	*			cis	-143.2	-170.4	-19.2	32.9	-10.5	0	0	0	115.5
1264	L	24.3	Very low	28.6	Very low	156 Å²	156	138.2 Å²	138.2	82%	0.817	77%	0.769	S	S	*	*			trans	90	152.2	134.3	-100.4	178	0	0	0	122.9
1265	V	26.8	Very low	28.7	Very low	127 Å²	127	142.9 Å²	142.9	77%	0.77	78%	0.779	S	S	*	*			trans	73.4	140.3	168.6	-179.6	0	0	0	0	117.7
1266	A	26.6	Very low	28.7	Very low	82 Å²	82	144.9 Å²	144.9	68%	0.678	77%	0.773	S	S	*	*			trans	-123.2	164.8	-176.9	0	0	0	0	0	111.1
1267	H	29.1	Very low	28.7	Very low	150 Å²	150	143 Å²	143	69%	0.694	77%	0.766	S	S	*	*			trans	179.8	153.9	156.4	-92.1	-54.1	0	0	0	106.8
1268	Y	28.1	Very low	28.4	Very low	192 Å²	192	142.7 Å²	142.7	75%	0.753	76%	0.764	S	S	*	*			cis	-164.7	-172.4	8	-114.9	-38.5	0	0	0	106.5
1269	P	35	Very low	28.4	Very low	109 Å²	109	143 Å²	143	71%	0.708	77%	0.771	S	S	*	*			cis	-138.8	176.1	-20.2	35.9	-15.2	0	0	0	117.2
1270	A	31	Very low	28.7	Very low	93 Å²	93	145.5 Å²	145.5	77%	0.769	77%	0.766	S	S	*	*			trans	67.9	102.1	140.6	0	0	0	0	0	124
1271	L	28.7	Very low	28.8	Very low	167 Å²	167	151.8 Å²	151.8	87%	0.874	77%	0.767	S	S	*	*				-67.2	155.9	126.2	-78.8	161.1	0	0	0	109.4
1272	P	30.4	Very low	28.7	Very low	114 Å²	114	146.6 Å²	146.6	74%	0.74	76%	0.758	S	S	*	*				-156.3	-155.2	64.8	46.5	-24.9	0	0	0	113.3
1273	P	32	Very low	29	Very low	113 Å²	113	141 Å²	141	73%	0.734	75%	0.749	S	S	*	*			cis	-126.4	167.4	-16.4	40	-24.8	0	0	0	115.5
1274	L	25	Very low	28.7	Very low	165 Å²	165	145.5 Å²	145.5	86%	0.864	75%	0.754	S	S	*	*			trans	-91	139.9	163.4	-79.3	163.8	0	0	0	111.4
1275	F	27.7	Very low	28.9	Very low	179 Å²	179	146.2 Å²	146.2	79%	0.785	76%	0.757	S	S	*	*			trans	-160.5	132.2	154.7	-101.6	-69	0	0	0	112.9
1276	Y	26	Very low	29	Very low	171 Å²	171	144.6 Å²	144.6	67%	0.671	75%	0.747	S	S	*	*			trans	25.9	146.8	145.5	-69.3	-174.7	0	0	0	121
1277	Y	26.1	Very low	29.3	Very low	184 Å²	184	146.7 Å²	146.7	72%	0.722	75%	0.754	S	S	*	*			cis	-171.7	179.9	11.7	-112.9	-27.2	0	0	0	107
1278	P	30.1	Very low	29.4	Very low	90 Å²	90	145.5 Å²	145.5	58%	0.584	75%	0.753	S	S	*	*			cis	-129.6	145.1	-12.7	35.8	-19	0	0	0	114.6
1279	D	26.5	Very low	29.4	Very low	168 Å²	168	146.1 Å²	146.1	90%	0.898	75%	0.754	S	S	*	*			trans	-74.3	150.1	165	-70.2	-65.2	0	0	0	112.4
1280	Y	31.7	Very low	29	Very low	192 Å²	192	146 Å²	146	75%	0.753	75%	0.747	S	S	*	*			trans	-133.1	132.3	179	-109	-87.5	0	0	0	111.8
1281	Y	31.8	Very low	29	Very low	210 Å²	210	149 Å²	149	82%	0.824	75%	0.75	S	S	*	*			trans	70.3	84.5	-175.7	-63.8	-83.7	0	0	0	114.5
1282	A	25.2	Very low	29	Very low	88 Å²	88	147.4 Å²	147.4	73%	0.727	75%	0.748	S	S	*	*				84.4	136.9	70.8	0	0	0	0	0	113
1283	P	29.9	Very low	28.8	Very low	106 Å²	106	150.4 Å²	150.4	69%	0.688	75%	0.752	S	S	*	*				-138.3	-153.4	81	34.9	-16.1	0	0	0	114
1284	Y	31.4	Very low	28.6	Very low	200 Å²	200	151.6 Å²	151.6	78%	0.784	75%	0.752	S	S	*	*			trans	78.4	104.8	179	-58.2	-73	0	0	0	118.4
1285	I	28	Very low	28.6	Very low	170 Å²	170	147.8 Å²	147.8	87%	0.872	74%	0.739	S	S	*	*			trans	-93	111.9	137.6	-65.9	172.6	0	0	0	105.6
1286	T	29	Very low	28.5	Very low	93 Å²	93	144.8 Å²	144.8	57%	0.571	74%	0.735	S	S	*	*			trans	-81.5	156	162.4	46.9	0	0	0	0	110.3
1287	P	32.8	Very low	28.5	Very low	126 Å²	126	145.4 Å²	145.4	82%	0.818	74%	0.737	S	S	*	*			trans	-102.2	107.7	153.4	30.4	-18.8	0	0	0	110
1288	D	30.3	Very low	28.4	Very low	125 Å²	125	143.8 Å²	143.8	67%	0.668	73%	0.731	S	S	*	*			trans	-51	156.6	159.4	-74.2	-35.8	0	0	0	112
1289	W	28.5	Very low	28.3	Very low	206 Å²	206	144.7 Å²	144.7	78%	0.78	74%	0.739	S	S	*	*			cis	-163.4	159	20	-132.8	24	0	0	0	114.1
1290	N	27.3	Very low	28.4	Very low	106 Å²	106	145.6 Å²	145.6	57%	0.567	74%	0.738	S	S	*	*			trans	73.9	150.7	145.8	-73.6	5.9	0	0	0	124.4
1291	N	30.1	Very low	28	Very low	155 Å²	155	142.5 Å²	142.5	83%	0.829	73%	0.734	S	S	*	*			trans	71.1	125.6	177	-59.8	-6.2	0	0	0	114.3
1292	V	29.9	Very low	28	Very low	135 Å²	135	137.3 Å²	137.3	82%	0.818	73%	0.726	S	S	*	*			cis	-129.3	141	12.1	171.9	0	0	0	0	111.6
1293	Q	24.6	Very low	28.1	Very low	177 Å²	177	138.7 Å²	138.7	83%	0.827	73%	0.726	S	S	*	*			trans	-86.7	126.7	158.7	-74.8	-174	-67.5	0	0	110
1294	N	28.9	Very low	28.1	Very low	137 Å²	137	140.2 Å²	140.2	73%	0.733	73%	0.728	S	S	*	*			trans	159	121.2	133.7	-81.3	-27	0	0	0	108.6
1295	S	24.9	Very low	27.8	Very low	86 Å²	86	137.6 Å²	137.6	60%	0.601	73%	0.727	S	S	*	*				70.7	89	59.1	87.8	0	0	0	0	110.3
1296	V	25.2	Very low	28	Very low	116 Å²	116	136.5 Å²	136.5	70%	0.703	72%	0.718	S	S	*	*				84.8	160.6	79.4	173.2	0	0	0	0	111.1
1297	Y	25.9	Very low	28.1	Very low	183 Å²	183	142.6 Å²	142.6	72%	0.718	73%	0.731	S	S	*	*			trans	90	129.3	177.5	-62.2	-83.3	0	0	0	116.5
1298	Y	24.5	Very low	27.9	Very low	151 Å²	151	147.6 Å²	147.6	59%	0.592	73%	0.733	S	S	*	*			cis	-170.7	157.3	-18.1	-136.1	-148.3	0	0	0	111	L1301	Y1298-L1301 HydrophobicContact CE1-CD1 4.14Å; Y1298-L1301 HydrophobicContact CE1-CD2 4.4Å; Y1298-L1301 HydrophobicContact CE1-CG 4.11Å
1299	S	27	Very low	27.7	Very low	108 Å²	108	148.3 Å²	148.3	76%	0.755	74%	0.742	S	S	*	*			trans	165	136.7	145.3	39.3	0	0	0	0	109.7
1300	Q	29.4	Very low	27.6	Very low	188 Å²	188	143.4 Å²	143.4	88%	0.879	75%	0.745	S	S	*	*			cis	-127.7	164.8	-7.2	-61.7	-167.9	-6.4	0	0	112
1301	L	24.2	Very low	27.5	Very low	126 Å²	126	143.5 Å²	143.5	66%	0.66	76%	0.761	S	S	*	*			trans	-78.4	-176.6	165.7	-69.8	160.8	0	0	0	109.2	Y1298	Y1298-L1301 HydrophobicContact CE1-CD1 4.14Å; Y1298-L1301 HydrophobicContact CE1-CD2 4.4Å; Y1298-L1301 HydrophobicContact CE1-CG 4.11Å
1302	P	31.1	Very low	27.1	Very low	102 Å²	102	140.9 Å²	140.9	66%	0.662	76%	0.761	S	S	*	*			cis	-142.5	167.9	10.3	46.5	-29.2	0	0	0	117.8
1303	T	27.9	Very low	26.8	Very low	117 Å²	117	139.2 Å²	139.2	72%	0.718	76%	0.762	S	S	*	*			trans	40.2	155.4	136.6	60.1	0	0	0	0	122.8
1304	L	29.1	Very low	26.7	Very low	138 Å²	138	135.7 Å²	135.7	72%	0.723	76%	0.762	S	S	*	*			cis	-158.6	128.3	-8.2	-101	151.8	0	0	0	103
1305	D	25.6	Very low	26.6	Very low	145 Å²	145	134 Å²	134	78%	0.775	77%	0.768	S	S	*	*				79.5	167.4	84.7	-152.7	-2.6	0	0	0	113.6
1306	E	31.2	Very low	26.5	Very low	147 Å²	147	136.7 Å²	136.7	69%	0.687	78%	0.78	S	S	*	*			trans	65.4	123.2	-170.1	-73.6	-159.7	-148.3	0	0	115.5
1307	R	32.2	Very low	26.6	Very low	220 Å²	220	134.8 Å²	134.8	83%	0.83	78%	0.776	S	S	*	*			cis	-142.1	152.3	14	-63.3	-171.7	168.6	171.4	-1.8	113.4
1308	R	28.1	Very low	26.5	Very low	232 Å²	232	131.7 Å²	131.7	88%	0.875	79%	0.789	S	S	*	*			trans	-106.3	165	159.6	-76.6	178.5	167.6	172.2	-3.3	110.2
1309	T	25.3	Very low	26.5	Very low	140 Å²	140	128.3 Å²	128.3	86%	0.859	79%	0.792	S	S	*	*			trans	55.1	110.5	155.9	46.6	0	0	0	0	119.4
1310	A	26.3	Very low	26.4	Very low	102 Å²	102	127.4 Å²	127.4	84%	0.843	79%	0.791	S	S	*	*			trans	-156.1	160.7	142	0	0	0	0	0	110.1
1311	A	26.6	Very low	26.2	Very low	109 Å²	109	123.7 Å²	123.7	90%	0.901	79%	0.792	S	S	*	*			trans	70.3	99.7	179.3	0	0	0	0	0	117.2
1312	A	21.8	Very low	26.2	Very low	99 Å²	99	122.6 Å²	122.6	82%	0.818	80%	0.802	S	S	*	*			trans	-133.7	150.7	161.7	0	0	0	0	0	109.7
1313	A	22.1	Very low	25.9	Very low	101 Å²	101	122.1 Å²	122.1	84%	0.835	81%	0.806	S	S	*	*			trans	68.9	158.6	171.8	0	0	0	0	0	118.4
1314	A	23.7	Very low	25.7	Very low	102 Å²	102	120.9 Å²	120.9	84%	0.843	81%	0.808	S	S	*	*			trans	64	134	178.8	0	0	0	0	0	116.5
1315	A	25.6	Very low	25.6	Very low	102 Å²	102	118.8 Å²	118.8	84%	0.843	81%	0.811	S	S	*	*			cis	-152.7	-174.7	-12.3	0	0	0	0	0	110.6
1316	V	23.8	Very low	25.9	Very low	142 Å²	142	118.1 Å²	118.1	86%	0.861	81%	0.812	S	S	*	*			trans	-66.7	146.4	-179.2	170.1	0	0	0	0	112.3
1317	A	27.4	Very low	25.6	Very low	76 Å²	76	116.7 Å²	116.7	63%	0.628	81%	0.813	S	S	*	*			trans	64.8	94.7	164.8	0	0	0	0	0	118.3	A1319	A1317-A1319 HydrophobicContact CB-CB 3.82Å
1318	A	24.5	Very low	25.5	Very low	118 Å²	118	114.3 Å²	114.3	98%	0.975	82%	0.816	S	S	*	*				-84.3	108	113.9	0	0	0	0	0	107.2
1319	A	24.6	Very low	25.2	Very low	80 Å²	80	112.8 Å²	112.8	66%	0.661	81%	0.811	S	S	*	*			trans	-138.5	140	179	0	0	0	0	0	110.3	A1317	A1317-A1319 HydrophobicContact CB-CB 3.82Å
1320	A	24.3	Very low	25.9	Very low	89 Å²	89	110.5 Å²	110.5	74%	0.736	80%	0.799	S	S	*	*			trans	54.9	113.1	168.4	0	0	0	0	0	118.9
1321	A	25.1	Very low	25.7	Very low	110 Å²	110	108.4 Å²	108.4	91%	0.909	78%	0.782	S	S	*	*	S	Bend		-134.7	125.6	128.2	0	0	0	0	0	107.4
1322	A	24.2	Very low	25.6	Very low	103 Å²	103	107.9 Å²	107.9	85%	0.851	77%	0.767	S	S	*	*			cis	-117.8	150	-2.4	0	0	0	0	0	111.7
1323	A	24.4	Very low	25.7	Very low	92 Å²	92	106.7 Å²	106.7	76%	0.76	76%	0.758	S	S	*	*			trans	-102.6	132.9	160.3	0	0	0	0	0	109.2
1324	A	24.9	Very low	26.3	Very low	92 Å²	92	106.9 Å²	106.9	76%	0.76	75%	0.75	S	S	*	*			trans	-152.3	109.1	154.9	0	0	0	0	0	104.5
1325	A	25.3	Very low	26.2	Very low	94 Å²	94	109.6 Å²	109.6	78%	0.777	75%	0.745	S	S	*	*				69.7	141.3	78.8	0	0	0	0	0	110.9
1326	V	31.7	Very low	26.2	Very low	131 Å²	131	110.3 Å²	110.3	79%	0.794	74%	0.744	S	S	*	*			cis	-132.6	160.1	32.4	167.3	0	0	0	0	112.7
1327	T	26.8	Very low	26.2	Very low	116 Å²	116	110 Å²	110	71%	0.712	74%	0.738	S	S	*	*			trans	-42	152.6	176.8	56.1	0	0	0	0	117.2
1328	L	28.2	Very low	26.1	Very low	170 Å²	170	111.7 Å²	111.7	89%	0.89	74%	0.744	S	S	*	*				-153.7	147.9	104	-104.1	165.9	0	0	0	111.8
1329	Y	22.3	Very low	26.1	Very low	200 Å²	200	116.4 Å²	116.4	78%	0.784	74%	0.738	S	S	*	*			trans	-102.5	-160.3	179.5	-133	-103.3	0	0	0	108.1
1330	P	40.5	Very low	26.1	Very low	93 Å²	93	119.8 Å²	119.8	60%	0.604	74%	0.744	S	S	*	*				-105.1	-136.2	-128	45	-27.8	0	0	0	112.7
1331	A	21.5	Very low	26.1	Very low	58 Å²	58	120 Å²	120	48%	0.479	74%	0.738	S	S	.	*			trans	75	147.1	171.9	0	0	0	0	0	114.5
1332	V	24.6	Very low	26.3	Very low	97 Å²	97	120.8 Å²	120.8	59%	0.588	74%	0.737	S	S	*	*			cis	-126.8	-167.1	-23.2	-159.3	0	0	0	0	107
1333	A	24.4	Very low	26.2	Very low	75 Å²	75	122.5 Å²	122.5	62%	0.62	73%	0.732	S	S	*	*			trans	-107.9	-175.1	154.1	0	0	0	0	0	107.3
1334	P	33.8	Very low	26.2	Very low	105 Å²	105	126 Å²	126	68%	0.682	74%	0.736	S	S	*	*			cis	-140.7	-161.5	0.1	43.9	-23.9	0	0	0	114.4
1335	H	23.1	Very low	26.3	Very low	159 Å²	159	128.4 Å²	128.4	74%	0.736	74%	0.742	S	S	*	*			trans	44.2	106.5	151.5	-73.7	-73.1	0	0	0	122.2	D1337	H1335-D1337 IonicContact ND1-OD2 2.85Å
1336	S	24.8	Very low	26.2	Very low	116 Å²	116	128.2 Å²	128.2	81%	0.811	74%	0.735	S	S	*	*				-172.7	124.6	112.5	26.1	0	0	0	0	107.9
1337	D	23.3	Very low	25.8	Very low	137 Å²	137	126.7 Å²	126.7	73%	0.733	73%	0.73	S	S	*	*				78.4	86	59.4	-71.6	-52.8	0	0	0	114.5	H1335	H1335-D1337 IonicContact ND1-OD2 2.85Å
1338	S	25.9	Very low	25.5	Very low	110 Å²	110	128.1 Å²	128.1	77%	0.769	73%	0.73	S	S	*	*			trans	-166.2	133	134.3	34.2	0	0	0	0	113.2
1339	Y	23.5	Very low	25.3	Very low	217 Å²	217	124.2 Å²	124.2	85%	0.851	72%	0.716	S	S	*	*			trans	22.7	142	131.7	-72.4	-96.7	0	0	0	119.6
1340	I	26.2	Very low	25.4	Very low	151 Å²	151	120 Å²	120	77%	0.774	72%	0.716	S	S	*	*			cis	-143.7	145.4	32.6	-66.5	175.2	0	0	0	110.8
1341	P	23.9	Very low	24.7	Very low	94 Å²	94	123.5 Å²	123.5	61%	0.61	72%	0.724	S	S	*	*			trans	-84.4	166.8	173.3	35.5	-37.1	0	0	0	114.1
1342	S	28.3	Very low	24.8	Very low	126 Å²	126	126 Å²	126	88%	0.881	73%	0.729	S	S	*	*			trans	-137	107.5	166.6	-63.6	0	0	0	0	110.3
1343	D	23.5	Very low	24.7	Very low	140 Å²	140	128.1 Å²	128.1	75%	0.749	73%	0.732	S	S	*	*			trans	-85.9	167.4	178.3	-83.3	-52.6	0	0	0	112.4
1344	L	23.1	Very low	24.7	Very low	164 Å²	164	130.3 Å²	130.3	86%	0.859	73%	0.732	S	S	*	*			trans	71.5	152.6	166.7	-61.2	140.1	0	0	0	114.8
1345	V	27.1	Very low	24.3	Very low	144 Å²	144	132.8 Å²	132.8	87%	0.873	74%	0.735	S	S	*	*			cis	-119	164.7	17.3	173.2	0	0	0	0	112.4
1346	S	23.7	Very low	24.4	Very low	90 Å²	90	131 Å²	131	63%	0.629	73%	0.727	S	S	*	*			trans	-104.6	165.7	-170.6	-175.8	0	0	0	0	114.2
1347	S	22.3	Very low	24.5	Very low	99 Å²	99	133.9 Å²	133.9	69%	0.692	73%	0.727	S	S	*	*			trans	76.8	163.7	162.3	88.4	0	0	0	0	116.6
1348	M	21.6	Very low	24.7	Very low	146 Å²	146	131 Å²	131	72%	0.719	71%	0.714	S	S	*	*			cis	-146.5	175.3	10.8	-148.9	160.5	78.2	0	0	113.8
1349	C	23.8	Very low	24.6	Very low	87 Å²	87	128.2 Å²	128.2	59%	0.588	70%	0.703	S	S	*	*			trans	51.4	119.7	162.5	-71.1	0	0	0	0	121.3
1350	S	24.2	Very low	24.6	Very low	112 Å²	112	123.4 Å²	123.4	78%	0.783	69%	0.691	S	S	*	*			trans	-63	141	140.3	-37.7	0	0	0	0	109.8
1351	H	25.7	Very low	24.6	Very low	166 Å²	166	121.5 Å²	121.5	77%	0.769	69%	0.686	S	S	*	*			trans	-136.4	124.6	143.1	-108.6	57.7	0	0	0	109.8
1352	D	24.5	Very low	24.9	Very low	110 Å²	110	119.5 Å²	119.5	59%	0.588	68%	0.677	S	S	*	*			trans	34.4	144.2	130.5	-82.5	-64.7	0	0	0	124.6
1353	Q	23	Very low	25	Very low	142 Å²	142	117.9 Å²	117.9	66%	0.664	66%	0.659	S	S	*	*			trans	69.6	138.9	136.6	-68.7	164.6	54.5	0	0	117.4
1354	I	23	Very low	25.2	Very low	121 Å²	121	115.1 Å²	115.1	62%	0.621	66%	0.655	S	S	*	*				55.7	64.8	60.1	-44.9	170.3	0	0	0	111.3
1355	H	25.6	Very low	25.5	Very low	158 Å²	158	114.5 Å²	114.5	73%	0.731	65%	0.652	S	S	*	*				-124	139.2	123.6	-90.8	-95.8	0	0	0	106.5
1356	Q	25.2	Very low	25.4	Very low	122 Å²	122	114.2 Å²	114.2	57%	0.57	65%	0.646	S	S	*	*			cis	66.4	75.8	46.1	-62.5	-173.9	-8.2	0	0	112.9	V1358	Q1356-V1358 HydrophobicContact CB-CB 4.13Å; Q1356-V1358 HydrophobicContact CB-CG2 3.76Å; Q1356-V1358 HydrophobicContact CG-CG2 4.25Å
1357	E	27.3	Very low	26.2	Very low	176 Å²	176	115.8 Å²	115.8	82%	0.822	65%	0.654	S	S	*	*				-89	116.2	115.7	-65.6	174.8	167.1	0	0	104.4	Y1788	E1357-Y1788 PolarHBondContact O-OH 2.71Å
1358	V	26.4	Very low	26.3	Very low	75 Å²	75	116.2 Å²	116.2	46%	0.455	66%	0.663	S	S	.	*			cis	68.8	64.4	16	156.8	0	0	0	0	112.5	Q1356 I1360	Q1356-V1358 HydrophobicContact CB-CB 4.13Å; Q1356-V1358 HydrophobicContact CB-CG2 3.76Å; Q1356-V1358 HydrophobicContact CG-CG2 4.25Å; V1358-I1360 HydrophobicContact CB-CD1 4.45Å; V1358-I1360 HydrophobicContact CB-CG1 4.45Å; V1358-I1360 HydrophobicContact CG1-CB 4.19Å; V1358-I1360 HydrophobicContact CG1-CD1 3.73Å; V1358-I1360 HydrophobicContact CG1-CG1 3.84Å; V1358-I1360 HydrophobicContact CG2-CD1 3.92Å; V1358-I1360 HydrophobicContact CG2-CG1 4.19Å; V1358-I1360 PolarHBondContact O-N 3.41Å; V1358-I1360 VanDerWaalsContact O-N 3.17Å
1359	G	23.8	Very low	26.7	Very low	52 Å²	52	114.4 Å²	114.4	54%	0.536	67%	0.665	S	S	.	*			trans	-68.9	82	137.1	0	0	0	0	0	109.9
1360	I	24.4	Very low	26.9	Very low	117 Å²	117	117.2 Å²	117.2	60%	0.6	67%	0.674	S	S	*	*			trans	-103.4	145.1	149.3	-56.9	168.9	0	0	0	102.7	V1358	V1358-I1360 HydrophobicContact CB-CD1 4.45Å; V1358-I1360 HydrophobicContact CB-CG1 4.45Å; V1358-I1360 HydrophobicContact CG1-CB 4.19Å; V1358-I1360 HydrophobicContact CG1-CD1 3.73Å; V1358-I1360 HydrophobicContact CG1-CG1 3.84Å; V1358-I1360 HydrophobicContact CG2-CD1 3.92Å; V1358-I1360 HydrophobicContact CG2-CG1 4.19Å; V1358-I1360 PolarHBondContact O-N 3.41Å; V1358-I1360 VanDerWaalsContact O-N 3.17Å
1361	V	27	Very low	27.1	Very low	111 Å²	111	118.1 Å²	118.1	67%	0.673	67%	0.669	S	S	*	*			cis	-138.7	-173.6	33.9	-132.1	0	0	0	0	107.9
1362	A	29.2	Very low	27.2	Very low	51 Å²	51	117.3 Å²	117.3	42%	0.421	67%	0.67	S	S	.	*			cis	-143.2	-171.2	17.2	0	0	0	0	0	110.1
1363	N	29.7	Very low	27.4	Very low	92 Å²	92	116.1 Å²	116.1	49%	0.492	67%	0.67	S	S	.	*			cis	-133.6	147.4	6.1	-64	-86.1	0	0	0	109	D1793 N1794	N1363-D1793 PolarHBondContact ND2-OD2 2.77Å; N1363-N1794 PolarHBondContact ND2-ND2 2.91Å; N1363-N1794 PolarHBondContact ND2-OD1 3.26Å
1364	A	28.6	Very low	27.6	Very low	82 Å²	82	118.5 Å²	118.5	68%	0.678	68%	0.679	S	S	*	*			cis	87.1	171.7	33.3	0	0	0	0	0	114.5
1365	L	28.5	Very low	27.6	Very low	152 Å²	152	118.3 Å²	118.3	80%	0.796	69%	0.687	S	S	*	*			trans	87.2	132.2	-165	-52.1	173.2	0	0	0	113.9
1366	D	25.8	Very low	27.6	Very low	137 Å²	137	114.9 Å²	114.9	73%	0.733	68%	0.681	S	S	*	*			cis	-154.2	152.5	2.7	-112	-29.2	0	0	0	114
1367	P	39.7	Very low	27.5	Very low	123 Å²	123	116.2 Å²	116.2	80%	0.799	69%	0.692	S	S	*	*			trans	-134	148.7	157.3	38.5	-24.5	0	0	0	114.6
1368	A	26.3	Very low	27.4	Very low	108 Å²	108	114.2 Å²	114.2	89%	0.893	69%	0.691	S	S	*	*			trans	-150.1	167.3	169.1	0	0	0	0	0	111.8
1369	S	28.7	Very low	28	Very low	108 Å²	108	115.9 Å²	115.9	76%	0.755	70%	0.703	S	S	*	*			trans	-159.2	161.9	-165.9	58	0	0	0	0	113
1370	L	28	Very low	28.8	Very low	147 Å²	147	118.7 Å²	118.7	77%	0.77	71%	0.712	S	S	*	*			trans	168.2	133.3	136.8	-92.5	161.5	0	0	0	114.5
1371	N	29	Very low	28.8	Very low	130 Å²	130	118.7 Å²	118.7	70%	0.695	72%	0.717	S	S	*	*			trans	51.7	150.8	134.1	-71.7	5.8	0	0	0	122.8
1372	L	28.3	Very low	28.6	Very low	150 Å²	150	121.9 Å²	121.9	79%	0.785	73%	0.725	S	S	*	*			cis	-160.5	-173.9	3.3	-118.6	171.6	0	0	0	107.4
1373	S	27	Very low	28.4	Very low	84 Å²	84	124 Å²	124	59%	0.587	74%	0.737	S	S	*	*			cis	-162	-177.9	9.6	46.8	0	0	0	0	111.3
1374	K	28.8	Very low	28.1	Very low	193 Å²	193	124.3 Å²	124.3	84%	0.839	75%	0.746	S	S	*	*			trans	80.2	161.7	170.9	-55.4	-175	-177.7	-178.6	0	114.7
1375	C	22.4	Very low	27.8	Very low	117 Å²	117	127.5 Å²	127.5	79%	0.791	75%	0.747	S	S	*	*			cis	-139.7	156.5	8.1	-155.5	0	0	0	0	114.2
1376	S	24.8	Very low	27.5	Very low	86 Å²	86	127.6 Å²	127.6	60%	0.601	74%	0.741	S	S	*	*			trans	-86.8	160.5	168.3	29.4	0	0	0	0	112.1
1377	D	24.3	Very low	28	Very low	150 Å²	150	129.6 Å²	129.6	80%	0.802	75%	0.746	S	S	*	*			cis	-164.6	178.5	-8.1	-93.5	-28.4	0	0	0	110.2
1378	V	25	Very low	27.5	Very low	133 Å²	133	128.4 Å²	128.4	81%	0.806	74%	0.738	S	S	*	*			trans	89.7	133.3	156.7	-163.3	0	0	0	0	120
1379	P	38.3	Very low	27.5	Very low	111 Å²	111	131.2 Å²	131.2	72%	0.721	73%	0.732	S	S	*	*			trans	-120.3	-156.1	174.3	45.9	-34.5	0	0	0	112.9
1380	P	40.4	Very low	27.4	Very low	111 Å²	111	133.2 Å²	133.2	72%	0.721	73%	0.733	S	S	*	*			cis	-129.1	-161	-38	23.7	1.6	0	0	0	113.5
1381	V	24.5	Very low	27.4	Very low	117 Å²	117	131 Å²	131	71%	0.709	73%	0.73	S	S	*	*			trans	103.5	122.8	150.9	-178.4	0	0	0	0	119.7
1382	E	24.2	Very low	27.3	Very low	178 Å²	178	131.7 Å²	131.7	83%	0.832	73%	0.733	S	S	*	*			trans	37	153.7	148.1	-68.3	165.7	-163.3	0	0	123
1383	S	24.2	Very low	27.2	Very low	95 Å²	95	128.5 Å²	128.5	66%	0.664	72%	0.723	S	S	*	*			cis	-164.5	166.4	-16.1	58.2	0	0	0	0	111.7
1384	S	23.3	Very low	27.1	Very low	98 Å²	98	132 Å²	132	69%	0.685	73%	0.73	S	S	*	*			trans	54.6	117.5	146.5	60.7	0	0	0	0	122.7
1385	E	21.8	Very low	27	Very low	150 Å²	150	127.1 Å²	127.1	70%	0.701	71%	0.713	S	S	*	*			trans	75.2	124	139	-63.9	-150.6	135.1	0	0	123.5
1386	K	22.4	Very low	27.1	Very low	154 Å²	154	130 Å²	130	67%	0.67	71%	0.707	S	S	*	*			trans	74.4	115	139.3	-67.3	163.6	-171.5	152.4	0	120.2
1387	E	35.9	Very low	27.1	Very low	178 Å²	178	130.9 Å²	130.9	83%	0.832	71%	0.713	S	S	*	*				21.4	145.7	118	-59.1	-168.4	147.4	0	0	118.5
1388	P	30.9	Very low	27	Very low	99 Å²	99	129.2 Å²	129.2	64%	0.643	70%	0.704	S	S	*	*			cis	-160.7	-176	44.9	44.7	-22.7	0	0	0	120.4
1389	H	25.5	Very low	26.9	Very low	166 Å²	166	131.6 Å²	131.6	77%	0.769	70%	0.703	S	S	*	*			trans	89.2	147.5	131.9	-81.5	-18.8	0	0	0	125.4
1390	I	27.2	Very low	26.2	Very low	151 Å²	151	130.6 Å²	130.6	77%	0.774	70%	0.699	S	S	*	*			trans	71.4	134.5	158.7	-65.1	150.6	0	0	0	114.4
1391	S	27.9	Very low	25.5	Very low	101 Å²	101	129.9 Å²	129.9	71%	0.706	70%	0.697	S	S	*	*			cis	-142.9	160.4	15.9	9.1	0	0	0	0	110.5
1392	L	27.3	Very low	25.7	Very low	143 Å²	143	132.1 Å²	132.1	75%	0.749	70%	0.699	S	S	*	*			cis	-164	164.9	-5.3	-120.5	166.7	0	0	0	108.9
1393	S	25.5	Very low	25.8	Very low	83 Å²	83	128.6 Å²	128.6	58%	0.58	69%	0.686	S	S	*	*			trans	41.8	142.9	145.5	65.2	0	0	0	0	121.8
1394	E	25.7	Very low	26.2	Very low	157 Å²	157	134.3 Å²	134.3	73%	0.734	69%	0.693	S	S	*	*			cis	-171.1	168.9	-0.7	-112.6	159.2	-159	0	0	106
1395	D	24.9	Very low	26.4	Very low	91 Å²	91	136.2 Å²	136.2	49%	0.487	70%	0.695	S	S	.	*			cis	-156.7	179.2	11.8	-140.5	-39.6	0	0	0	113
1396	R	26	Very low	26.7	Very low	178 Å²	178	131.9 Å²	131.9	67%	0.672	69%	0.691	S	S	*	*			trans	32.5	113.5	151.2	-76.8	147.7	-126.9	-165.6	15.3	118.3	I1398	R1396-I1398 HydrophobicContact CG-CD1 4.47Å
1397	S	23.4	Very low	26.8	Very low	104 Å²	104	135.9 Å²	135.9	73%	0.727	70%	0.702	S	S	*	*			cis	66.9	175	41.6	100.8	0	0	0	0	115
1398	I	22.6	Very low	26.4	Very low	116 Å²	116	132.8 Å²	132.8	60%	0.595	70%	0.699	S	S	*	*			trans	82.1	95.4	168.9	-75.8	166.2	0	0	0	117.2	R1396	R1396-I1398 HydrophobicContact CG-CD1 4.47Å
1399	K	22.4	Very low	26.3	Very low	182 Å²	182	134.2 Å²	134.2	79%	0.791	70%	0.701	S	S	*	*			trans	73.7	153.7	130.1	-67	-178.9	-160.4	170.1	0	120
1400	S	25.5	Very low	26.3	Very low	91 Å²	91	132.1 Å²	132.1	64%	0.636	70%	0.699	S	S	*	*			cis	175.7	173.6	-29	56	0	0	0	0	107.8
1401	S	24.3	Very low	26.2	Very low	96 Å²	96	129.7 Å²	129.7	67%	0.671	70%	0.696	S	S	*	*			trans	74	152.3	165.1	91.5	0	0	0	0	114.6
1402	H	29.5	Very low	26.4	Very low	163 Å²	163	134 Å²	134	76%	0.755	71%	0.707	S	S	*	*			cis	-133.5	127.5	-6.6	-103.8	-56	0	0	0	106.3
1403	D	26.8	Very low	26.5	Very low	104 Å²	104	131.9 Å²	131.9	56%	0.556	70%	0.702	S	S	*	*				89.2	151.4	74.4	179.6	39.3	0	0	0	112.6
1404	R	31.3	Very low	26.4	Very low	215 Å²	215	136.7 Å²	136.7	81%	0.811	72%	0.715	S	S	*	*			trans	80.1	143.9	170	-47.7	-170.9	-177.7	-175.4	-0.8	119
1405	N	26.7	Very low	26.2	Very low	138 Å²	138	134 Å²	134	74%	0.738	71%	0.714	S	S	*	*			cis	-170.1	162.8	-38.9	-122.4	-50.5	0	0	0	110.3
1406	G	29.6	Very low	26.1	Very low	60 Å²	60	134.6 Å²	134.6	62%	0.619	73%	0.725	S	S	*	*			trans	100	109.6	173.1	0	0	0	0	0	112.8
1407	R	24.5	Very low	26	Very low	237 Å²	237	132.7 Å²	132.7	89%	0.894	73%	0.728	S	S	*	*				66.2	129.4	54.8	-57.8	-177.6	173.9	-171.9	-2.9	111.7
1408	C	27.2	Very low	26.2	Very low	113 Å²	113	134.1 Å²	134.1	76%	0.764	73%	0.726	S	S	*	*			cis	-128.8	171.4	10.3	-68.8	0	0	0	0	110.1
1409	N	28.3	Very low	26.1	Very low	130 Å²	130	140 Å²	140	70%	0.695	74%	0.741	S	S	*	*			cis	-152.7	159	-2.8	-121.5	16.1	0	0	0	107.5
1410	V	25.2	Very low	26.3	Very low	121 Å²	121	140.4 Å²	140.4	73%	0.733	74%	0.743	S	S	*	*				49.2	116.8	77	-167.8	0	0	0	0	112.9
1411	S	25.7	Very low	26.3	Very low	100 Å²	100	140.4 Å²	140.4	70%	0.699	74%	0.743	S	S	*	*			cis	-150.2	145.2	20.9	31.5	0	0	0	0	113.9
1412	M	32.3	Very low	26.4	Very low	192 Å²	192	142.5 Å²	142.5	95%	0.946	75%	0.747	S	S	*	*				-84.5	148.3	129.6	-87.5	-173.5	165.3	0	0	107.7
1413	P	28.6	Very low	26.2	Very low	98 Å²	98	143.7 Å²	143.7	64%	0.636	75%	0.75	S	S	*	*				-141.8	168.7	120.8	36.1	-21	0	0	0	111.7
1414	E	24.8	Very low	26.1	Very low	185 Å²	185	146.7 Å²	146.7	86%	0.864	77%	0.765	S	S	*	*			cis	-157.7	-176.3	-20.3	-112.2	163.8	161.6	0	0	108.3
1415	S	21.4	Very low	25.9	Very low	101 Å²	101	141.9 Å²	141.9	71%	0.706	76%	0.762	S	S	*	*			trans	-76.3	176.1	171.2	53.7	0	0	0	0	113.3
1416	S	22.5	Very low	25.8	Very low	102 Å²	102	140.5 Å²	140.5	71%	0.713	76%	0.763	S	S	*	*			trans	74.4	135.4	178.5	-6.1	0	0	0	0	112.9
1417	D	24.4	Very low	25.5	Very low	139 Å²	139	145.5 Å²	145.5	74%	0.743	78%	0.775	S	S	*	*			cis	-145.4	159.2	46.7	-117.4	-20	0	0	0	117.9
1418	I	27.4	Very low	25.5	Very low	133 Å²	133	140.1 Å²	140.1	68%	0.682	76%	0.758	S	S	*	*			trans	44.1	110.2	147.9	-62.5	157.2	0	0	0	118.9
1419	R	20.3	Very low	25.4	Very low	239 Å²	239	141.5 Å²	141.5	90%	0.902	76%	0.758	S	S	*	*			trans	-67.2	130.5	151.8	-59.7	170.8	178.1	168.2	-2.4	109.8
1420	F	26	Very low	25.3	Very low	191 Å²	191	138.3 Å²	138.3	84%	0.838	75%	0.746	S	S	*	*			trans	-165.2	138.3	141.4	-106.3	-68.9	0	0	0	110.9
1421	S	25.1	Very low	25.3	Very low	91 Å²	91	141.6 Å²	141.6	64%	0.636	75%	0.747	S	S	*	*			trans	38.2	133.9	155.3	56.7	0	0	0	0	120.7
1422	N	26.7	Very low	25.4	Very low	140 Å²	140	147.4 Å²	147.4	75%	0.749	76%	0.755	S	S	*	*			cis	-167.6	152.7	7.4	-119.4	-34	0	0	0	111.4
1423	K	25.3	Very low	25.1	Very low	189 Å²	189	143.5 Å²	143.5	82%	0.822	74%	0.742	S	S	*	*			trans	49.6	84.1	151.9	-60.4	-178	-179.9	-178.2	0	119.3
1424	L	24.5	Very low	25.1	Very low	166 Å²	166	144.4 Å²	144.4	87%	0.869	75%	0.748	S	S	*	*				-129.2	138.7	123.8	-91.6	165	0	0	0	105.6
1425	P	27.2	Very low	25	Very low	115 Å²	115	141.7 Å²	141.7	75%	0.747	75%	0.747	S	S	*	*				-138.2	-171.8	69.7	41.7	-27	0	0	0	114.6	N1427	P1425-N1427 PolarHBondContact O-N 2.77Å
1426	S	24.7	Very low	25.2	Very low	109 Å²	109	140.9 Å²	140.9	76%	0.762	76%	0.755	S	S	*	*			trans	-48.3	122.1	174	51.1	0	0	0	0	114.4
1427	N	24.6	Very low	25.4	Very low	164 Å²	164	142.6 Å²	142.6	88%	0.877	76%	0.761	S	S	*	*			trans	-155.9	152.2	142.5	-126.7	-30.1	0	0	0	111.4	P1425	P1425-N1427 PolarHBondContact O-N 2.77Å
1428	F	24.1	Very low	25.7	Very low	124 Å²	124	141.1 Å²	141.1	54%	0.544	76%	0.759	S	S	.	*			trans	-68.5	152.6	172.9	-91.1	-93.1	0	0	0	111.2	H1611 L1612	F1428-H1611 HydrophobicContact CE2-CB 4.22Å; F1428-H1611 HydrophobicContact CZ-CB 4.14Å; F1428-L1612 HydrophobicContact CD1-CD1 3.92Å; F1428-L1612 HydrophobicContact CE1-CB 3.88Å; F1428-L1612 HydrophobicContact CE1-CD1 3.47Å; F1428-L1612 VanDerWaalsContact CE1-CD1 3.47Å; F1428-L1612 HydrophobicContact CE1-CG 4.27Å; F1428-L1612 HydrophobicContact CZ-CB 4.01Å; F1428-L1612 HydrophobicContact CZ-CD1 4.1Å
1429	N	25.3	Very low	25.4	Very low	142 Å²	142	142.7 Å²	142.7	76%	0.759	77%	0.766	S	S	*	*			trans	-153.6	140.8	134.4	-117.4	-32.6	0	0	0	113.7
1430	S	24.6	Very low	25.6	Very low	63 Å²	63	137.5 Å²	137.5	44%	0.441	76%	0.756	S	S	.	*			trans	-3.3	153.7	142	56	0	0	0	0	119.1
1431	Y	26.6	Very low	25.4	Very low	190 Å²	190	133 Å²	133	75%	0.745	75%	0.747	S	S	*	*			cis	-153.7	146.2	39.6	-74.5	-89.5	0	0	0	113.6
1432	Y	27.8	Very low	25.5	Very low	223 Å²	223	133.5 Å²	133.5	88%	0.875	75%	0.75	S	S	*	*				-164.9	150.2	98.8	-117.4	-85.1	0	0	0	112.3
1433	V	24.5	Very low	25.3	Very low	110 Å²	110	133.1 Å²	133.1	67%	0.667	75%	0.748	S	S	*	*			trans	-144	146.2	-176.5	-167.8	0	0	0	0	107
1434	P	29.6	Very low	25.7	Very low	117 Å²	117	128.2 Å²	128.2	76%	0.76	74%	0.735	S	S	*	*				-146.8	126.7	114	30.6	-11.5	0	0	0	116
1435	C	23.2	Very low	25.6	Very low	127 Å²	127	125.1 Å²	125.1	86%	0.858	72%	0.718	S	S	*	*			trans	56.1	125.2	131.8	-53.2	0	0	0	0	122.2
1436	G	25.4	Very low	25.4	Very low	84 Å²	84	129.4 Å²	129.4	87%	0.866	72%	0.72	S	S	*	*			trans	175.3	87.3	166	0	0	0	0	0	115.7
1437	V	25.8	Very low	25.4	Very low	138 Å²	138	131 Å²	131	84%	0.836	72%	0.719	S	S	*	*			trans	-88.5	154.1	173.1	159.7	0	0	0	0	109.2
1438	P	30.2	Very low	25.3	Very low	109 Å²	109	128.7 Å²	128.7	71%	0.708	71%	0.714	S	S	*	*			cis	-136.3	172.9	23	21.7	5.2	0	0	0	119
1439	M	22.7	Very low	25.7	Very low	166 Å²	166	127.9 Å²	127.9	82%	0.818	72%	0.722	S	S	*	*			trans	19.4	156.9	133.5	-48.9	-169.5	174.5	0	0	121.8
1440	N	24	Very low	25.5	Very low	130 Å²	130	126.8 Å²	126.8	70%	0.695	72%	0.724	S	S	*	*			cis	-163	168.3	22.5	-141.7	-8.5	0	0	0	116.1
1441	C	22.6	Very low	25.4	Very low	96 Å²	96	133.4 Å²	133.4	65%	0.649	75%	0.745	S	S	*	*			trans	60.9	114	146	-75.7	0	0	0	0	125
1442	S	25.7	Very low	25.3	Very low	101 Å²	101	127.6 Å²	127.6	71%	0.706	74%	0.737	S	S	*	*				92.8	95.8	113.4	-60.8	0	0	0	0	124
1443	N	23	Very low	25.1	Very low	133 Å²	133	125.4 Å²	125.4	71%	0.711	73%	0.734	S	S	*	*				61.5	160.2	109	-88.9	-17	0	0	0	123.5
1444	P	33.5	Very low	25.1	Very low	85 Å²	85	125.5 Å²	125.5	55%	0.552	74%	0.735	S	S	*	*			trans	-140.2	-156.2	-143.7	38.6	-14.1	0	0	0	115.8
1445	M	22.6	Very low	24.8	Very low	101 Å²	101	125.6 Å²	125.6	50%	0.498	73%	0.729	S	S	.	*			trans	102.6	103.2	155.8	-58.4	-145.4	-62.4	0	0	120.8
1446	Y	24	Very low	25	Very low	205 Å²	205	129 Å²	129	80%	0.804	73%	0.725	S	S	*	*				64.1	134.7	114.4	-81.9	-54	0	0	0	125.1
1447	I	23.6	Very low	25.2	Very low	142 Å²	142	131.2 Å²	131.2	73%	0.728	72%	0.722	S	S	*	*			trans	88.1	141.1	137.1	-71.7	163.6	0	0	0	120
1448	C	23.3	Very low	25.3	Very low	116 Å²	116	128 Å²	128	78%	0.784	72%	0.717	S	S	*	*			trans	84.1	155.3	164.5	-95.3	0	0	0	0	118.2
1449	P	32.2	Very low	25.1	Very low	107 Å²	107	127.9 Å²	127.9	70%	0.695	72%	0.719	S	S	*	*				-139.6	-148.8	-110.2	41	-19.2	0	0	0	113.9
1450	C	21.3	Very low	25.2	Very low	120 Å²	120	124.4 Å²	124.4	81%	0.811	71%	0.711	S	S	*	*			trans	87.4	168.4	165.7	-68.2	0	0	0	0	118.8
1451	F	22.6	Very low	25.3	Very low	202 Å²	202	125.6 Å²	125.6	89%	0.886	72%	0.717	S	S	*	*			trans	-34	123.7	-175.9	-90	-117.1	0	0	0	117.3
1452	A	23.6	Very low	25.5	Very low	68 Å²	68	125.8 Å²	125.8	56%	0.562	72%	0.719	S	S	*	*				47.4	139.2	111.1	0	0	0	0	0	121.1
1453	H	24	Very low	25.6	Very low	176 Å²	176	125.4 Å²	125.4	82%	0.815	72%	0.716	S	S	*	*			trans	68.7	145.7	171.9	-56.2	-78.4	0	0	0	114.5
1454	T	24.8	Very low	25.7	Very low	113 Å²	113	125.6 Å²	125.6	69%	0.693	72%	0.717	S	S	*	*			cis	-154.7	161.8	1.2	-6	0	0	0	0	109.8
1455	N	23.8	Very low	25.8	Very low	119 Å²	119	124 Å²	124	64%	0.636	71%	0.706	S	S	*	*			trans	-81.8	113.1	143.6	-86.6	-67.9	0	0	0	106.6
1456	Y	26.7	Very low	26	Very low	197 Å²	197	125.9 Å²	125.9	77%	0.773	72%	0.716	S	S	*	*				68.4	130.7	94.1	-92.6	-90.7	0	0	0	112.2
1457	V	28.4	Very low	26	Very low	131 Å²	131	120.7 Å²	120.7	79%	0.794	71%	0.705	S	S	*	*			cis	-133.7	148	24.7	-175.1	0	0	0	0	107.9
1458	G	27.8	Very low	26.2	Very low	71 Å²	71	122.1 Å²	122.1	73%	0.732	71%	0.708	S	S	*	*			cis	95.8	145.4	49	0	0	0	0	0	110.2
1459	S	26.2	Very low	26.3	Very low	107 Å²	107	123.6 Å²	123.6	75%	0.748	71%	0.708	S	S	*	*			cis	-166.6	140.1	7.1	53.6	0	0	0	0	114.9
1460	S	26.1	Very low	26.7	Very low	93 Å²	93	123.6 Å²	123.6	65%	0.65	71%	0.709	S	S	*	*			trans	57.6	126.1	136.5	65.4	0	0	0	0	126
1461	N	26	Very low	27.1	Very low	155 Å²	155	124 Å²	124	83%	0.829	71%	0.709	S	S	*	*			trans	71.2	149.8	136.6	-56	2.9	0	0	0	121.3
1462	S	26.5	Very low	27.3	Very low	99 Å²	99	117.1 Å²	117.1	69%	0.692	70%	0.696	S	S	*	*			cis	-173.9	130.9	-24.5	52	0	0	0	0	114.3
1463	S	27.6	Very low	27.3	Very low	93 Å²	93	122.9 Å²	122.9	65%	0.65	71%	0.708	S	S	*	*			trans	54.6	133.3	151.6	61.2	0	0	0	0	124.7
1464	L	25.7	Very low	27.4	Very low	138 Å²	138	125.8 Å²	125.8	72%	0.723	71%	0.712	S	S	*	*			trans	179.6	153.6	143.8	-94	179.4	0	0	0	111.3	G143 S144	G143-L1464 VanDerWaalsContact C-C 3.48Å; G143-L1464 CarbonylContact C-O 3.28Å; G143-L1464 CarbonylContact O-C 3.58Å; G143-L1464 WeakPolarHBondContact O-CA 3.47Å; G143-L1464 PolarHBondContact O-N 2.98Å; S144-L1464 CarbonylContact C-O 3.35Å; S144-L1464 WeakPolarHBondContact CA-O 3.33Å; S144-L1464 WeakPolarHBondContact CB-O 3.23Å; S144-L1464 PolarHBondContact N-O 2.95Å
1465	P	34.8	Very low	27.7	Very low	51 Å²	51	126.9 Å²	126.9	33%	0.331	71%	0.714	S	S	.	*			trans	-117.3	171.7	-140.4	2.6	22.4	0	0	0	121.9	T142	T142-P1465 HydrophobicContact CG2-CB 3.34Å; T142-P1465 HydrophobicContact CG2-CG 4.03Å
1466	M	27.3	Very low	28	Very low	141 Å²	141	124.5 Å²	124.5	70%	0.695	71%	0.705	S	S	*	*			trans	167.1	145.2	135.9	-89.9	-179.9	78.5	0	0	109.8	S144	S144-M1466 PolarHBondContact OG-N 3.06Å; S144-M1466 PolarHBondContact OG-O 2.98Å
1467	V	24	Very low	27.9	Very low	96 Å²	96	123 Å²	123	58%	0.582	70%	0.703	S	S	*	*				81.2	97	50.1	-179.1	0	0	0	0	115.1	T142	T142-V1467 HydrophobicContact CG2-CG2 4.21Å
1468	H	28.4	Very low	27.9	Very low	172 Å²	172	122.2 Å²	122.2	80%	0.796	70%	0.698	S	S	*	*				-175.2	165.4	124	-114.2	-76.7	0	0	0	115
1469	N	25	Very low	27.7	Very low	146 Å²	146	128.1 Å²	128.1	78%	0.781	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-74.7	161.6	-178.9	-73.7	-21	0	0	0	115.2
1470	P	39.4	Very low	28	Very low	108 Å²	108	127 Å²	127	70%	0.701	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-90.2	161.6	171.4	38.3	-36.7	0	0	0	113.4
1471	P	29.9	Very low	28.1	Very low	127 Å²	127	132 Å²	132	83%	0.825	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-78.2	132.5	138.8	33.5	-27.9	0	0	0	108.6
1472	G	26.6	Very low	28	Very low	58 Å²	58	130.3 Å²	130.3	60%	0.598	69%	0.688	S	S	*	*			cis	101	102.1	15	0	0	0	0	0	110.3
1473	F	24.6	Very low	28.1	Very low	190 Å²	190	133.3 Å²	133.3	83%	0.833	69%	0.689	S	S	*	*			trans	39.3	134.9	161.9	-63.8	-94.9	0	0	0	118.5
1474	W	25.6	Very low	28	Very low	236 Å²	236	135.1 Å²	135.1	89%	0.894	69%	0.687	S	S	*	*			cis	-125.9	126.3	39.9	-74.6	30.4	0	0	0	113.8	P1476	W1474-P1476 HydrophobicContact CE3-CG 4.3Å
1475	D	31.5	Very low	27.8	Very low	137 Å²	137	134.6 Å²	134.6	73%	0.733	69%	0.69	S	S	*	*				-81.7	138.6	120.1	-177.8	44.6	0	0	0	105.3
1476	P	30.2	Very low	27.4	Very low	68 Å²	68	137.1 Å²	137.1	44%	0.442	71%	0.706	S	S	.	*				-147.7	164.3	91.4	41.5	-25.6	0	0	0	116.8	W1474	W1474-P1476 HydrophobicContact CE3-CG 4.3Å
1477	K	25	Very low	27.2	Very low	167 Å²	167	141.3 Å²	141.3	73%	0.726	71%	0.714	S	S	*	*			trans	98.3	86.7	140.2	-84.4	155.7	-171	173.8	0	120
1478	T	27.2	Very low	27.4	Very low	113 Å²	113	143.5 Å²	143.5	69%	0.693	72%	0.722	S	S	*	*				87	111.4	113.7	45	0	0	0	0	120.5
1479	F	23.9	Very low	27.2	Very low	196 Å²	196	142.1 Å²	142.1	86%	0.86	72%	0.721	S	S	*	*				47.3	152.3	101.4	-80.5	-120.5	0	0	0	119.2
1480	P	32.8	Very low	27.2	Very low	82 Å²	82	144 Å²	144	53%	0.532	72%	0.722	S	S	.	*			cis	-143.8	-178.3	-25.7	39.6	-22	0	0	0	114.1
1481	Y	28.2	Very low	26.4	Very low	199 Å²	199	146.7 Å²	146.7	78%	0.78	73%	0.728	S	S	*	*				-167	118.5	124.6	-91.5	-70.2	0	0	0	105.2	F1483	Y1481-F1483 HydrophobicContact CD1-CE2 4.21Å
1482	M	23.9	Very low	26.1	Very low	120 Å²	120	148.9 Å²	148.9	59%	0.591	72%	0.724	S	S	*	*				46.4	123.2	77.3	-61.1	-179.5	69.7	0	0	111.6
1483	F	27.9	Very low	25.9	Very low	161 Å²	161	151.6 Å²	151.6	71%	0.706	73%	0.733	S	S	*	*				-162.5	158.5	61.8	-84	-86	0	0	0	109.5	Y1481	Y1481-F1483 HydrophobicContact CD1-CE2 4.21Å
1484	H	26.7	Very low	25.8	Very low	131 Å²	131	150.9 Å²	150.9	61%	0.606	73%	0.732	S	S	*	*			cis	-162.2	139.6	-17.5	-150.3	0.1	0	0	0	108.1
1485	V	20.7	Very low	25.8	Very low	128 Å²	128	151.1 Å²	151.1	78%	0.776	73%	0.733	S	S	*	*			trans	-127.1	105.4	158.3	176	0	0	0	0	108.1	R1487	V1485-R1487 PolarHBondContact O-N 3.38Å
1486	P	27.1	Very low	25.6	Very low	103 Å²	103	149.1 Å²	149.1	67%	0.669	72%	0.719	S	S	*	*			trans	-84	87.7	173.9	32.3	-31.8	0	0	0	110.1	N1488	P1486-N1488 VanDerWaalsContact C-N 3.34Å; P1486-N1488 PolarHBondContact O-N 3Å
1487	R	22.6	Very low	25.3	Very low	230 Å²	230	155.1 Å²	155.1	87%	0.868	73%	0.733	S	S	*	*			trans	-89.5	73.4	164.2	-127.9	-171.2	-171.5	-176.3	3.1	109.7	V1485	V1485-R1487 PolarHBondContact O-N 3.38Å
1488	N	27.4	Very low	25.5	Very low	142 Å²	142	149.3 Å²	149.3	76%	0.759	71%	0.714	S	S	*	*			trans	-113.4	121.5	157.1	-81.1	-24.7	0	0	0	106.9	P1486	P1486-N1488 VanDerWaalsContact C-N 3.34Å; P1486-N1488 PolarHBondContact O-N 3Å
1489	N	24.9	Very low	25.6	Very low	142 Å²	142	152.7 Å²	152.7	76%	0.759	71%	0.714	S	S	*	*				53.7	79.7	66.3	-72.7	-8.4	0	0	0	112.6
1490	F	24.9	Very low	25.8	Very low	187 Å²	187	148.6 Å²	148.6	82%	0.82	70%	0.701	S	S	*	*			trans	-131.5	96.6	135.5	-93.6	-73.5	0	0	0	109.2	F1492	F1490-F1492 HydrophobicContact CD1-CD2 4.12Å; F1490-F1492 HydrophobicContact CD1-CE2 4.43Å; F1490-F1492 HydrophobicContact CE1-CE2 4.39Å
1491	M	23	Very low	25.5	Very low	164 Å²	164	149 Å²	149	81%	0.808	71%	0.711	S	S	*	*			trans	-77.3	131.3	145.9	-88.2	-149.8	-62.7	0	0	107.5
1492	F	23.5	Very low	25.5	Very low	172 Å²	172	144.9 Å²	144.9	75%	0.754	71%	0.711	S	S	*	*			trans	-133.1	90.2	144.9	-106	-80.4	0	0	0	108.3	F1490 E1494	F1490-F1492 HydrophobicContact CD1-CD2 4.12Å; F1490-F1492 HydrophobicContact CD1-CE2 4.43Å; F1490-F1492 HydrophobicContact CE1-CE2 4.39Å; F1492-E1494 HydrophobicContact CD1-CG 4.33Å
1493	C	22.8	Very low	25.7	Very low	116 Å²	116	146 Å²	146	78%	0.784	73%	0.725	S	S	*	*			trans	-89.1	97.2	155.2	-81.3	0	0	0	0	107.5	R1495	C1493-R1495 PolarHBondContact O-N 3.48Å
1494	E	22.8	Very low	25.6	Very low	174 Å²	174	142.3 Å²	142.3	81%	0.813	73%	0.732	S	S	*	*			trans	-69.2	110.4	160.3	-73.2	-167.9	131.8	0	0	109.4	F1492	F1492-E1494 HydrophobicContact CD1-CG 4.33Å
1495	R	24.9	Very low	25.5	Very low	241 Å²	241	140.6 Å²	140.6	91%	0.909	74%	0.741	S	S	*	*			trans	-147.4	126.4	144.2	-128	178.8	-171.4	-178.8	4.2	110.3	C1493 R1497	C1493-R1495 PolarHBondContact O-N 3.48Å; R1495-R1497 PolarHBondContact O-N 3.41Å
1496	E	26.7	Very low	26.2	Very low	95 Å²	95	140.3 Å²	140.3	44%	0.444	74%	0.742	S	S	.	*			trans	-72.2	124.3	-164	-56.1	-179	114.9	0	0	113.3	H1801 S1804	E1496-H1801 PolarHBondContact O-CE1 2.99Å; E1496-H1801 PolarHBondContact O-ND1 3.04Å; E1496-H1801 VanDerWaalsContact O-ND1 3.09Å; E1496-S1804 WeakPolarHBondContact OE1-CA 3.27Å; E1496-S1804 WeakPolarHBondContact OE1-CB 3.03Å
1497	R	25.6	Very low	27	Very low	194 Å²	194	140.5 Å²	140.5	73%	0.732	74%	0.743	S	S	*	*			trans	-57	148.7	158.8	-74.9	176.8	165.2	172.7	-4.2	110.7	R1495 R1803 S1804	R1495-R1497 PolarHBondContact O-N 3.41Å; R1497-R1803 VanDerWaalsContact C-N 3.27Å; R1497-R1803 CarbonylContact O-C 3.25Å; R1497-R1803 WeakPolarHBondContact O-CA 3.17Å; R1497-R1803 PolarHBondContact O-N 3.38Å; R1497-S1804 PolarHBondContact O-N 2.64Å
1498	S	28.4	Very low	27.3	Very low	46 Å²	46	140.3 Å²	140.3	32%	0.322	74%	0.744	S	S	.	*				-142.3	-136	109.5	98.3	0	0	0	0	107.7	H1801 P1802 R1803	S1498-H1801 VanDerWaalsContact C-CA 3.41Å; S1498-H1801 WeakPolarHBondContact O-CA 3.24Å; S1498-H1801 PolarHBondContact O-N 2.96Å; S1498-P1802 WeakPolarHBondContact CB-O 3.38Å; S1498-P1802 VanDerWaalsContact N-C 3.32Å; S1498-P1802 WeakPolarHBondContact OG-CA 3.34Å; S1498-P1802 VanDerWaalsContact OG-N 3.14Å; S1498-P1802 PolarHBondContact OG-O 3.16Å; S1498-R1803 VanDerWaalsContact N-N 3.17Å
1499	R	29.2	Very low	27.4	Very low	183 Å²	183	141.6 Å²	141.6	69%	0.691	75%	0.749	S	S	*	*			trans	-150.8	134.7	-156.3	-66.7	168.2	175.9	140.9	-8.8	115.1	H1801	R1499-H1801 CarbonylContact C-O 3.4Å; R1499-H1801 VanDerWaalsContact N-C 3.26Å; R1499-H1801 PolarHBondContact N-O 3.09Å
1500	N	27	Very low	27.5	Very low	110 Å²	110	138 Å²	138	59%	0.588	75%	0.745	S	S	*	*				61.7	149.8	127	-52.7	15.1	0	0	0	119.5	V1800 H1801	N1500-V1800 PolarHBondContact N-O 3.42Å; N1500-H1801 PolarHBondContact N-O 2.88Å
1501	A	28	Very low	27.7	Very low	90 Å²	90	138.6 Å²	138.6	74%	0.744	75%	0.75	S	S	*	*			trans	-138.5	138.8	178.2	0	0	0	0	0	113.4
1502	S	27.5	Very low	28.3	Very low	113 Å²	113	136 Å²	136	79%	0.79	75%	0.746	S	S	*	*			trans	166.4	150.2	162.5	28.2	0	0	0	0	108.6
1503	T	27.7	Very low	28.5	Very low	145 Å²	145	134.5 Å²	134.5	89%	0.89	75%	0.746	S	S	*	*			cis	-166.4	152.9	-18.3	21.2	0	0	0	0	107.5
1504	G	25.7	Very low	28.8	Very low	83 Å²	83	137.2 Å²	137.2	86%	0.856	75%	0.747	S	S	*	*			trans	155.1	130.1	164	0	0	0	0	0	116.2
1505	A	24.8	Very low	29.1	Very low	94 Å²	94	132.7 Å²	132.7	78%	0.777	75%	0.747	S	S	*	*			trans	-109.2	-178.1	163.7	0	0	0	0	0	109.4
1506	P	35.9	Very low	29.4	Very low	123 Å²	123	124.1 Å²	124.1	80%	0.799	73%	0.734	S	S	*	*				-151.4	-146.5	90.4	44.9	-22.8	0	0	0	113.1
1507	P	43.9	Very low	29.5	Very low	107 Å²	107	128.5 Å²	128.5	70%	0.695	75%	0.754	S	S	*	*				-138.1	156.4	-116	37.6	-14	0	0	0	121.1
1508	Y	29.5	Very low	29.7	Very low	226 Å²	226	127.4 Å²	127.4	89%	0.886	76%	0.761	S	S	*	*			trans	74.5	142.4	143.6	-97.9	-89.7	0	0	0	124.9
1509	I	29.4	Very low	29.8	Very low	168 Å²	168	127.8 Å²	127.8	86%	0.862	77%	0.773	S	S	*	*			trans	66.9	129.1	173.2	-45.2	178.2	0	0	0	115.7
1510	G	27.2	Very low	29.8	Very low	66 Å²	66	124.3 Å²	124.3	68%	0.68	78%	0.776	S	S	*	*			cis	175.1	165.8	-7	0	0	0	0	0	113.8
1511	Q	28.1	Very low	29.8	Very low	200 Å²	200	124 Å²	124	94%	0.935	78%	0.783	S	S	*	*			trans	68.1	159.9	174.7	-77.7	-168.9	-21.8	0	0	120
1512	P	35.6	Very low	29.9	Very low	111 Å²	111	128.2 Å²	128.2	72%	0.721	79%	0.785	S	S	*	*			trans	-124.5	165.3	-164.4	42.3	-28.7	0	0	0	115.8
1513	D	27.9	Very low	29.8	Very low	139 Å²	139	132.1 Å²	132.1	74%	0.743	79%	0.788	S	S	*	*			trans	-163.6	166.3	137.7	-129.3	-27.4	0	0	0	116.6
1514	Q	29.9	Very low	29.6	Very low	174 Å²	174	132.9 Å²	132.9	81%	0.813	78%	0.781	S	S	*	*			trans	-11.2	153.9	167.5	-70.7	154.6	73.7	0	0	122.8
1515	G	28.9	Very low	29.5	Very low	78 Å²	78	138.1 Å²	138.1	80%	0.804	78%	0.781	S	S	*	*			trans	149.4	113.5	156.1	0	0	0	0	0	114.9
1516	G	29.5	Very low	30.1	Very low	62 Å²	62	138.9 Å²	138.9	64%	0.639	78%	0.777	S	S	*	*			trans	-86.5	172.1	175.5	0	0	0	0	0	113.7
1517	H	30.2	Very low	29.5	Very low	187 Å²	187	138.9 Å²	138.9	87%	0.866	78%	0.779	S	S	*	*			cis	-146.7	-163.3	0.9	-49.6	-96.7	0	0	0	108.3
1518	L	30	Very low	28.7	Very low	170 Å²	170	138.8 Å²	138.8	89%	0.89	79%	0.787	S	S	*	*			cis	-160.6	-170.3	6.3	-139.1	-178.6	0	0	0	107.4
1519	G	29.4	Very low	28.5	Very low	55 Å²	55	134.4 Å²	134.4	57%	0.567	78%	0.784	S	S	*	*			trans	86.9	49.2	143.7	0	0	0	0	0	119
1520	S	29.6	Very low	28.4	Very low	109 Å²	109	133 Å²	133	76%	0.762	78%	0.783	S	S	*	*			trans	10.6	115.9	148.3	44.9	0	0	0	0	118.2
1521	S	27.8	Very low	28.3	Very low	104 Å²	104	133.5 Å²	133.5	73%	0.727	78%	0.781	S	S	*	*			cis	65.4	141.7	15.1	138.9	0	0	0	0	115.7
1522	K	29.3	Very low	28.3	Very low	179 Å²	179	131.9 Å²	131.9	78%	0.778	78%	0.778	S	S	*	*			cis	-172.7	150	-16.4	-117.5	-169	-177.2	174.1	0	110.1
1523	F	26.1	Very low	27.9	Very low	194 Å²	194	133.3 Å²	133.3	85%	0.851	79%	0.785	S	S	*	*			trans	53.7	161.3	144.1	-91.2	-108.2	0	0	0	124.2
1524	Q	22.7	Very low	27.9	Very low	162 Å²	162	131.8 Å²	131.8	76%	0.757	79%	0.786	S	S	*	*			trans	-82.3	152	167.5	-53.5	165	-33.1	0	0	111.5
1525	K	24.8	Very low	27.9	Very low	193 Å²	193	131.2 Å²	131.2	84%	0.839	79%	0.787	S	S	*	*				176.7	170.7	112.5	-95.2	-162.5	175	-174.4	0	112.1
1526	P	36	Very low	27.9	Very low	109 Å²	109	131.2 Å²	131.2	71%	0.708	78%	0.775	S	S	*	*			trans	-118.2	-177.1	-140.1	45	-39	0	0	0	117.6
1527	C	23.4	Very low	27.9	Very low	123 Å²	123	136.6 Å²	136.6	83%	0.831	78%	0.783	S	S	*	*			trans	93.7	149.7	156.4	-68.8	0	0	0	0	119.5
1528	A	26.9	Very low	27.7	Very low	106 Å²	106	131.9 Å²	131.9	88%	0.876	77%	0.771	S	S	*	*			trans	63.6	110.5	176.3	0	0	0	0	0	117.9
1529	T	25.4	Very low	27.6	Very low	134 Å²	134	132.9 Å²	132.9	82%	0.822	77%	0.769	S	S	*	*			trans	-98.4	129.5	171.8	-49.8	0	0	0	0	110.8
1530	V	26.8	Very low	27.5	Very low	139 Å²	139	135.2 Å²	135.2	84%	0.842	78%	0.776	S	S	*	*			trans	-165.1	97.7	139.2	174.6	0	0	0	0	104.5
1531	A	26.1	Very low	28	Very low	75 Å²	75	136 Å²	136	62%	0.62	78%	0.778	S	S	*	*				78.4	119.9	80.4	0	0	0	0	0	115
1532	N	27.6	Very low	27.8	Very low	166 Å²	166	137.3 Å²	137.3	89%	0.888	79%	0.787	S	S	*	*			trans	38	113.1	154.9	-57	0.4	0	0	0	120.7
1533	T	27.5	Very low	27.6	Very low	142 Å²	142	133.9 Å²	133.9	87%	0.871	79%	0.785	S	S	*	*			trans	-118.6	132.5	147.7	54.7	0	0	0	0	107.7
1534	S	28.9	Very low	27.5	Very low	107 Å²	107	133.3 Å²	133.3	75%	0.748	79%	0.785	S	S	*	*				-155.5	153.3	80.3	44.8	0	0	0	0	110.9
1535	L	29.2	Very low	27.5	Very low	162 Å²	162	132 Å²	132	85%	0.848	79%	0.787	S	S	*	*			cis	-164.2	164.9	-3	-96.5	160	0	0	0	104.1
1536	S	27.6	Very low	27.7	Very low	77 Å²	77	131.2 Å²	131.2	54%	0.538	79%	0.786	S	S	.	*			cis	-173.2	170.9	1.5	36.3	0	0	0	0	109.6
1537	H	29.6	Very low	28.3	Very low	175 Å²	175	130.7 Å²	130.7	81%	0.81	78%	0.783	S	S	*	*			trans	70.7	154.6	164.9	-58.2	-70.6	0	0	0	118.9
1538	S	27.1	Very low	28.7	Very low	88 Å²	88	130.6 Å²	130.6	62%	0.615	78%	0.781	S	S	*	*			cis	-171.2	143.2	-49.3	46.2	0	0	0	0	112.7
1539	F	28.4	Very low	28.8	Very low	192 Å²	192	131.5 Å²	131.5	84%	0.842	77%	0.771	S	S	*	*			trans	59.3	100.9	159.1	-70.9	-67.8	0	0	0	122.3
1540	S	26.6	Very low	28.9	Very low	104 Å²	104	132.5 Å²	132.5	73%	0.727	77%	0.766	S	S	*	*				66	178.1	124.2	-40.9	0	0	0	0	119.1
1541	P	41	Very low	28.9	Very low	124 Å²	124	132.5 Å²	132.5	81%	0.805	76%	0.762	S	S	*	*				-136.7	150.2	-105.1	36.3	-14.6	0	0	0	117.4
1542	C	23.2	Very low	28.9	Very low	133 Å²	133	133.9 Å²	133.9	90%	0.899	76%	0.763	S	S	*	*			trans	-158.3	-177.6	151.4	-142.5	0	0	0	0	111
1543	S	25.4	Very low	28.9	Very low	107 Å²	107	133.1 Å²	133.1	75%	0.748	76%	0.758	S	S	*	*			trans	-131.3	161.5	-174.1	-64.2	0	0	0	0	113.9
1544	Q	23.7	Very low	28.9	Very low	182 Å²	182	133.4 Å²	133.4	85%	0.85	75%	0.754	S	S	*	*			trans	93.7	155.8	164.9	-55.1	-168.3	-10.6	0	0	119.7
1545	V	22.8	Very low	28.7	Very low	133 Å²	133	133.6 Å²	133.6	81%	0.806	75%	0.751	S	S	*	*			trans	83.9	115.5	165.6	-162.5	0	0	0	0	118.9
1546	H	28.5	Very low	28.5	Very low	177 Å²	177	131.5 Å²	131.5	82%	0.819	75%	0.745	S	S	*	*			trans	-116.4	168.1	159.2	-98.7	-89.3	0	0	0	107.3
1547	P	49	Very low	28.4	Very low	98 Å²	98	135.7 Å²	135.7	64%	0.636	76%	0.756	S	S	*	*				-102.7	-153.5	-62.2	31.9	-12.2	0	0	0	109.3
1548	P	32.3	Very low	28.5	Very low	122 Å²	122	131.1 Å²	131.1	79%	0.792	74%	0.744	S	S	*	*				-147	179.6	86.5	39.3	-21.6	0	0	0	115.6
1549	N	27.4	Very low	28.5	Very low	124 Å²	124	135.8 Å²	135.8	66%	0.663	75%	0.753	S	S	*	*			trans	-91.7	-170.6	173.5	-50.2	3.2	0	0	0	109.6
1550	E	27.8	Very low	28.6	Very low	155 Å²	155	131.4 Å²	131.4	72%	0.724	75%	0.746	S	S	*	*			cis	-158.5	-155.3	6.8	-152.9	134.5	-106.2	0	0	111.1
1551	D	27.1	Very low	29.1	Very low	139 Å²	139	132.7 Å²	132.7	74%	0.743	75%	0.75	S	S	*	*			trans	82.7	148.2	159.6	-70.2	-33.2	0	0	0	122.8
1552	T	27	Very low	28.6	Very low	104 Å²	104	132.2 Å²	132.2	64%	0.638	75%	0.745	S	S	*	*				-168.2	152.9	-60.3	28.2	0	0	0	0	112.9
1553	L	25.9	Very low	28.6	Very low	151 Å²	151	134.5 Å²	134.5	79%	0.791	74%	0.743	S	S	*	*			trans	58.1	149	144.8	-69.8	166	0	0	0	125.4
1554	N	27.8	Very low	28.6	Very low	147 Å²	147	134.6 Å²	134.6	79%	0.786	74%	0.743	S	S	*	*			trans	133.6	147.1	150.1	-71.5	-19.8	0	0	0	113.8
1555	T	25.8	Very low	28.7	Very low	111 Å²	111	130.8 Å²	130.8	68%	0.681	74%	0.737	S	S	*	*			cis	-170	151.8	-9.1	27.4	0	0	0	0	106.9
1556	T	24.4	Very low	28.7	Very low	118 Å²	118	131.7 Å²	131.7	72%	0.724	74%	0.742	S	S	*	*			cis	77.9	135.2	21	68.5	0	0	0	0	117.1
1557	E	25	Very low	28.5	Very low	165 Å²	165	126.3 Å²	126.3	77%	0.771	74%	0.735	S	S	*	*			cis	-174.7	168.2	-12.1	-105.9	-152.1	-114.9	0	0	108.2
1558	S	32.2	Very low	27.4	Very low	80 Å²	80	132.7 Å²	132.7	56%	0.559	75%	0.746	S	S	*	*			cis	-161.2	-98	-24.7	55.1	0	0	0	0	111.2
1559	F	27.6	Very low	27	Very low	185 Å²	185	133 Å²	133	81%	0.811	74%	0.741	S	S	*	*			trans	69.9	156.5	162.6	-64.9	-66.9	0	0	0	121.4
1560	S	30.6	Very low	26.8	Very low	100 Å²	100	133.5 Å²	133.5	70%	0.699	74%	0.741	S	S	*	*			cis	-164.7	160.4	-12.1	49.3	0	0	0	0	113.7
1561	T	37.2	Very low	26.9	Very low	131 Å²	131	129.7 Å²	129.7	80%	0.804	73%	0.725	S	S	*	*			trans	-165	134.3	141.9	0.4	0	0	0	0	113.5
1562	T	29.2	Very low	26.9	Very low	114 Å²	114	130.4 Å²	130.4	70%	0.699	73%	0.729	S	S	*	*			trans	46.5	108.8	157.7	54	0	0	0	0	122.7
1563	E	24.6	Very low	27	Very low	182 Å²	182	130 Å²	130	85%	0.85	73%	0.73	S	S	*	*				61.9	153.7	124.3	-66.5	-173.5	-152.1	0	0	122.9
1564	S	25	Very low	27.3	Very low	108 Å²	108	128.8 Å²	128.8	76%	0.755	73%	0.729	S	S	*	*			cis	-160.7	-151.2	-24.8	63.5	0	0	0	0	110.4
1565	S	26	Very low	27.1	Very low	103 Å²	103	125.1 Å²	125.1	72%	0.72	72%	0.715	S	S	*	*			trans	-99.1	174.1	-160.1	57.9	0	0	0	0	116.4
1566	V	22	Very low	27.2	Very low	151 Å²	151	125.4 Å²	125.4	92%	0.915	71%	0.711	S	S	*	*			trans	89.5	131.6	170.6	-171.1	0	0	0	0	116.3
1567	G	24.8	Very low	27.3	Very low	65 Å²	65	123.4 Å²	123.4	67%	0.67	71%	0.714	S	S	*	*			trans	123.6	116.2	-171.2	0	0	0	0	0	109
1568	R	25.2	Very low	27.2	Very low	232 Å²	232	125.7 Å²	125.7	88%	0.875	72%	0.717	S	S	*	*			cis	58	136.1	43.9	-84.8	-165.8	-178.1	146.4	1.2	115.1
1569	D	24.1	Very low	26.9	Very low	127 Å²	127	127.7 Å²	127.7	68%	0.679	73%	0.726	S	S	*	*			trans	32.1	113	143.8	-54.6	-59.7	0	0	0	118.2
1570	M	24.4	Very low	27.2	Very low	135 Å²	135	126.3 Å²	126.3	67%	0.665	73%	0.728	S	S	*	*				70.1	125.2	82.9	-146.5	-147.3	-139.3	0	0	112.9	I1576	M1570-I1576 HydrophobicContact SD-CG1 4.37Å
1571	I	29.3	Very low	27	Very low	75 Å²	75	126.4 Å²	126.4	39%	0.385	73%	0.726	S	S	.	*			trans	76.1	124.8	168.6	-42.3	152.4	0	0	0	111.2	I1576	I1571-I1576 HydrophobicContact CD1-CD1 3.66Å; I1571-I1576 HydrophobicContact CD1-CG1 3.74Å
1572	N	26.8	Very low	26.5	Very low	154 Å²	154	124.6 Å²	124.6	82%	0.824	72%	0.719	S	S	*	*	S	Bend		-140.8	143.3	70.5	-80.2	-71.7	0	0	0	113.6
1573	S	28.5	Very low	26.3	Very low	95 Å²	95	123.6 Å²	123.6	66%	0.664	72%	0.716	S	S	*	*	S	Bend	cis	-163	132.9	-5.8	39.5	0	0	0	0	108.3
1574	T	32.6	Very low	26.2	Very low	126 Å²	126	120.5 Å²	120.5	77%	0.773	71%	0.714	S	S	*	*			cis	-154.3	166.1	18.3	35	0	0	0	0	109
1575	S	24.8	Very low	26.5	Very low	70 Å²	70	121.3 Å²	121.3	49%	0.49	71%	0.709	S	S	.	*			cis	-178.3	150.2	-21.8	56.6	0	0	0	0	109.2
1576	I	25.9	Very low	26.6	Very low	117 Å²	117	122.2 Å²	122.2	60%	0.6	71%	0.712	S	S	*	*			trans	37.2	119.6	138.8	-51.3	163.5	0	0	0	118.3	M1570 I1571	M1570-I1576 HydrophobicContact SD-CG1 4.37Å; I1571-I1576 HydrophobicContact CD1-CD1 3.66Å; I1571-I1576 HydrophobicContact CD1-CG1 3.74Å
1577	G	26.7	Very low	26.9	Very low	77 Å²	77	123.4 Å²	123.4	79%	0.794	71%	0.708	S	S	*	*			trans	-172.8	88.9	167.7	0	0	0	0	0	114
1578	Y	22.7	Very low	27	Very low	212 Å²	212	125.5 Å²	125.5	83%	0.831	71%	0.713	S	S	*	*			trans	-64.3	172.1	178.8	-87.6	-106.7	0	0	0	114.4
1579	T	26.1	Very low	26.9	Very low	122 Å²	122	118.2 Å²	118.2	75%	0.748	70%	0.697	S	S	*	*			trans	76.7	108.9	164.1	56.4	0	0	0	0	120.2
1580	N	35.2	Very low	26.8	Very low	157 Å²	157	120.4 Å²	120.4	84%	0.84	70%	0.703	S	S	*	*				-69.1	141.2	112.8	-78.4	-31	0	0	0	107.1
1581	P	26.5	Very low	26.7	Very low	102 Å²	102	120 Å²	120	66%	0.662	71%	0.709	S	S	*	*				-114.9	151.3	70	0.9	21.5	0	0	0	111.1
1582	S	25.2	Very low	26.5	Very low	93 Å²	93	122.5 Å²	122.5	65%	0.65	73%	0.727	S	S	*	*			cis	64.4	128	49.4	84.5	0	0	0	0	115.8
1583	S	25.6	Very low	26.4	Very low	92 Å²	92	121.5 Å²	121.5	64%	0.643	73%	0.726	S	S	*	*			trans	55.5	95.7	157.9	58.3	0	0	0	0	119.9
1584	S	22.7	Very low	27.4	Very low	117 Å²	117	122.1 Å²	122.1	82%	0.818	73%	0.728	S	S	*	*			trans	-161.7	120.5	138.5	-16.6	0	0	0	0	107
1585	I	32.3	Very low	27.6	Very low	126 Å²	126	121.5 Å²	121.5	65%	0.646	73%	0.726	S	S	*	*			cis	62.2	107.1	19.7	-41.2	176.4	0	0	0	110.3	E1587	I1585-E1587 HydrophobicContact CG2-CB 4.14Å
1586	P	26.4	Very low	27.8	Very low	121 Å²	121	123.2 Å²	123.2	79%	0.786	73%	0.734	S	S	*	*				-117	152.5	91.2	-2.6	23.4	0	0	0	112.6
1587	E	29.9	Very low	28.3	Very low	177 Å²	177	124 Å²	124	83%	0.827	73%	0.734	S	S	*	*			cis	15.3	110.8	14.3	-60.8	-167.5	169.8	0	0	117	I1585	I1585-E1587 HydrophobicContact CG2-CB 4.14Å
1588	S	25.9	Very low	28.4	Very low	109 Å²	109	127.6 Å²	127.6	76%	0.762	73%	0.728	S	S	*	*			cis	-153.9	-161.7	12.7	48.2	0	0	0	0	107.8
1589	S	22.8	Very low	28.5	Very low	79 Å²	79	124.5 Å²	124.5	55%	0.552	72%	0.721	S	S	*	*			cis	-176.2	162.2	29.2	49	0	0	0	0	111
1590	Q	22.7	Very low	28.6	Very low	173 Å²	173	123.8 Å²	123.8	81%	0.808	72%	0.719	S	S	*	*			trans	61.3	142.4	146.1	-67.5	160.6	25.2	0	0	118.7
1591	T	21.8	Very low	28.1	Very low	127 Å²	127	123.2 Å²	123.2	78%	0.779	71%	0.714	S	S	*	*			cis	-156.9	-179.1	8.3	-6.8	0	0	0	0	111.1
1592	V	24.9	Very low	28	Very low	126 Å²	126	122.7 Å²	122.7	76%	0.764	71%	0.713	S	S	*	*			trans	92.6	80.1	163.7	-163.2	0	0	0	0	118.9
1593	V	25.6	Very low	28	Very low	134 Å²	134	127.4 Å²	127.4	81%	0.812	72%	0.718	S	S	*	*			trans	62.8	-158.8	140.8	-143.5	0	0	0	0	117.8
1594	P	48.2	Very low	28	Very low	108 Å²	108	128.7 Å²	128.7	70%	0.701	72%	0.724	S	S	*	*				-106.7	-177.6	-128.7	43.5	-27.3	0	0	0	113.7
1595	P	37.2	Very low	28	Very low	113 Å²	113	130.8 Å²	130.8	73%	0.734	73%	0.725	S	S	*	*			cis	-142.4	161.1	18.4	42.7	-22.6	0	0	0	121
1596	T	29.7	Very low	27.6	Very low	105 Å²	105	127.1 Å²	127.1	64%	0.644	72%	0.719	S	S	*	*			trans	-10.3	161.3	150.8	61.9	0	0	0	0	122.5
1597	H	35.3	Very low	27.4	Very low	134 Å²	134	127 Å²	127	62%	0.62	72%	0.72	S	S	*	*			trans	78.9	146.3	154.4	-64.2	-43.3	0	0	0	117.4	E1599	H1597-E1599 IonicContact ND1-OE2 3.76Å; H1597-E1599 PolarHBondContact ND1-OE2 2.85Å
1598	K	29.8	Very low	27	Very low	153 Å²	153	123.6 Å²	123.6	67%	0.665	72%	0.717	S	S	*	*			cis	-146.2	128	-5.9	-114.2	150.5	177	145.1	0	106.5
1599	E	25	Very low	27	Very low	146 Å²	146	125.1 Å²	125.1	68%	0.682	71%	0.712	S	S	*	*				61.2	142.2	76	-61.1	172.7	127.8	0	0	114.1	H1597	H1597-E1599 IonicContact ND1-OE2 3.76Å; H1597-E1599 PolarHBondContact ND1-OE2 2.85Å
1600	P	28.4	Very low	27	Very low	108 Å²	108	127.2 Å²	127.2	70%	0.701	72%	0.716	S	S	*	*			cis	-141.7	149.4	-24.9	37.8	-19.7	0	0	0	116.7
1601	I	23.3	Very low	27	Very low	145 Å²	145	125.3 Å²	125.3	74%	0.744	71%	0.707	S	S	*	*				38.6	102.3	125.5	-49.4	173.3	0	0	0	119
1602	S	24.3	Very low	27.1	Very low	91 Å²	91	124.6 Å²	124.6	64%	0.636	70%	0.698	S	S	*	*				59.6	163	128.9	-49	0	0	0	0	123.8
1603	Y	26.8	Very low	27	Very low	192 Å²	192	122.4 Å²	122.4	75%	0.753	69%	0.688	S	S	*	*			trans	76.5	154	162.5	-62.3	-61.6	0	0	0	116.8	L1605	Y1603-L1605 VanDerWaalsContact CD1-O 3.32Å; Y1603-L1605 WeakPolarHBondContact CD1-O 3.49Å
1604	P	26	Very low	26.9	Very low	118 Å²	118	123.1 Å²	123.1	77%	0.766	69%	0.687	S	S	*	*			cis	-111.3	117.4	16.4	37.3	-25.4	0	0	0	117
1605	L	21.8	Very low	25.8	Very low	161 Å²	161	122.9 Å²	122.9	84%	0.843	69%	0.688	S	S	*	*	S	Bend	trans	-115.4	123.6	131.8	-93.2	167.4	0	0	0	105.9	Y1603	Y1603-L1605 VanDerWaalsContact CD1-O 3.32Å; Y1603-L1605 WeakPolarHBondContact CD1-O 3.49Å
1606	G	23.2	Very low	25.1	Very low	50 Å²	50	123.2 Å²	123.2	52%	0.515	69%	0.692	S	S	.	*			trans	81.8	155.1	-163.6	0	0	0	0	0	112.7
1607	S	22.3	Very low	24.9	Very low	117 Å²	117	122.6 Å²	122.6	82%	0.818	70%	0.697	S	S	*	*			cis	-147.9	150.6	1	-69	0	0	0	0	112.9
1608	S	22.6	Very low	24.5	Very low	107 Å²	107	121.7 Å²	121.7	75%	0.748	70%	0.697	S	S	*	*			trans	13.2	110.6	146.6	-50.2	0	0	0	0	119.9
1609	Q	24.4	Very low	24.4	Very low	141 Å²	141	121 Å²	121	66%	0.659	70%	0.696	S	S	*	*				73.1	131.3	120.5	-85.2	-170.2	0.9	0	0	123
1610	L	22.9	Very low	24.7	Very low	122 Å²	122	122.4 Å²	122.4	64%	0.639	70%	0.703	S	S	*	*			trans	86.4	114.4	136.6	-66.8	166.9	0	0	0	121.6
1611	H	24.6	Very low	24.6	Very low	134 Å²	134	121.5 Å²	121.5	62%	0.62	70%	0.695	S	S	*	*			trans	84.2	134.9	136.7	-88.7	-60.1	0	0	0	122.2	F1428	F1428-H1611 HydrophobicContact CE2-CB 4.22Å; F1428-H1611 HydrophobicContact CZ-CB 4.14Å
1612	L	23.7	Very low	24.8	Very low	112 Å²	112	123.4 Å²	123.4	59%	0.586	70%	0.695	S	S	*	*			trans	62	94.1	149.2	-63.9	163.5	0	0	0	115	F1428	F1428-L1612 HydrophobicContact CD1-CD1 3.92Å; F1428-L1612 HydrophobicContact CE1-CB 3.88Å; F1428-L1612 HydrophobicContact CE1-CD1 3.47Å; F1428-L1612 VanDerWaalsContact CE1-CD1 3.47Å; F1428-L1612 HydrophobicContact CE1-CG 4.27Å; F1428-L1612 HydrophobicContact CZ-CB 4.01Å; F1428-L1612 HydrophobicContact CZ-CD1 4.1Å
1613	S	22.8	Very low	24.9	Very low	79 Å²	79	126.7 Å²	126.7	55%	0.552	70%	0.697	S	S	*	*				79.9	146.1	68.6	72	0	0	0	0	113.8
1614	N	23.5	Very low	24.8	Very low	149 Å²	149	123 Å²	123	80%	0.797	70%	0.695	S	S	*	*			trans	71.6	145.1	166.4	-58.1	-9.6	0	0	0	115.3
1615	S	23.5	Very low	24.7	Very low	104 Å²	104	127.3 Å²	127.3	73%	0.727	70%	0.696	S	S	*	*			cis	-162.3	165.3	-18.5	44.9	0	0	0	0	110.8	A1617	S1615-A1617 PolarHBondContact O-N 3.1Å
1616	C	23.7	Very low	24.8	Very low	119 Å²	119	126.9 Å²	126.9	80%	0.804	69%	0.69	S	S	*	*			trans	-23.7	124.2	161.6	-52.5	0	0	0	0	116
1617	A	26.1	Very low	24.9	Very low	93 Å²	93	131.4 Å²	131.4	77%	0.769	70%	0.702	S	S	*	*			trans	-156.5	130.1	133.1	0	0	0	0	0	108.5	S1615	S1615-A1617 PolarHBondContact O-N 3.1Å
1618	D	26.7	Very low	24.9	Very low	115 Å²	115	129.8 Å²	129.8	62%	0.615	70%	0.695	S	S	*	*			cis	-158.1	156.5	-15.6	-128.5	-23.6	0	0	0	111.6
1619	Q	26.6	Very low	24.9	Very low	138 Å²	138	129.6 Å²	129.6	65%	0.645	69%	0.694	S	S	*	*			trans	39.2	146.2	143.7	-71.3	163.5	58.1	0	0	121.4
1620	Q	32.1	Very low	24.9	Very low	175 Å²	175	127.2 Å²	127.2	82%	0.818	69%	0.692	S	S	*	*			cis	-129.5	129.8	27.4	-71.1	174.4	-5.1	0	0	111.7
1621	T	25.8	Very low	24.9	Very low	89 Å²	89	125.5 Å²	125.5	55%	0.546	68%	0.683	S	S	.	*				66.2	112.8	80.9	-37.7	0	0	0	0	110.4
1622	Y	28.1	Very low	25.8	Very low	186 Å²	186	124.7 Å²	124.7	73%	0.729	69%	0.688	S	S	*	*				-158	136.5	80.2	-112.6	-99.3	0	0	0	115.5
1623	K	26.4	Very low	26.2	Very low	159 Å²	159	123.5 Å²	123.5	69%	0.691	69%	0.687	S	S	*	*			trans	40.5	112.7	147.5	-67.8	-173.6	-175.6	175.7	0	119.8
1624	T	24.1	Very low	26.4	Very low	114 Å²	114	130 Å²	130	70%	0.699	70%	0.701	S	S	*	*			cis	92.8	137.1	49.9	59.8	0	0	0	0	115.5
1625	W	24.8	Very low	26.6	Very low	210 Å²	210	130.5 Å²	130.5	80%	0.795	70%	0.698	S	S	*	*			trans	75.9	132.2	161	-72	28.9	0	0	0	115.3
1626	Q	22.3	Very low	26.8	Very low	151 Å²	151	131.7 Å²	131.7	71%	0.706	70%	0.701	S	S	*	*				56.4	91	63	-69.4	-170	-12	0	0	112.9
1627	N	25.2	Very low	26.9	Very low	146 Å²	146	128.9 Å²	128.9	78%	0.781	69%	0.693	S	S	*	*				-171.4	170	92.9	-100.3	-53.3	0	0	0	115.2
1628	A	22.9	Very low	26.8	Very low	82 Å²	82	132.7 Å²	132.7	68%	0.678	70%	0.699	S	S	*	*			trans	-52.4	174.1	-177.7	0	0	0	0	0	118.4
1629	S	23	Very low	27	Very low	103 Å²	103	132.4 Å²	132.4	72%	0.72	70%	0.704	S	S	*	*			trans	101.3	107.8	144	-64.3	0	0	0	0	119.9
1630	C	23.2	Very low	26.9	Very low	92 Å²	92	132.1 Å²	132.1	62%	0.622	71%	0.706	S	S	*	*				73.4	115	122.8	-63.5	0	0	0	0	121.1
1631	L	23.5	Very low	26.6	Very low	85 Å²	85	130.4 Å²	130.4	45%	0.445	70%	0.702	S	S	.	*				88.4	124	122.5	-86.7	167.1	0	0	0	121.3	C179 S180	C179-L1631 HydrophobicContact CB-CD1 3.71Å; C179-L1631 HydrophobicContact CB-CD2 3.51Å; C179-L1631 HydrophobicContact CB-CG 3.57Å; S180-L1631 VanDerWaalsContact N-CD1 3.34Å
1632	T	43.2	Very low	26.7	Very low	117 Å²	117	131.5 Å²	131.5	72%	0.718	71%	0.713	S	S	*	*			trans	-63.2	147	139.9	49	0	0	0	0	110.9
1633	P	32.4	Very low	26.6	Very low	87 Å²	87	131.3 Å²	131.3	57%	0.565	72%	0.719	S	S	*	*				-143.3	148.7	126.3	37	-25.2	0	0	0	114
1634	Y	28	Very low	26.7	Very low	215 Å²	215	128.5 Å²	128.5	84%	0.843	72%	0.717	S	S	*	*			trans	161.3	101.7	142.1	-92.1	-64	0	0	0	106.3
1635	Q	26	Very low	26.9	Very low	160 Å²	160	132.3 Å²	132.3	75%	0.748	72%	0.72	S	S	*	*			cis	81.4	141.5	26.3	-154.2	-175	-7.4	0	0	114.4
1636	V	28.2	Very low	27	Very low	129 Å²	129	129.5 Å²	129.5	78%	0.782	72%	0.719	S	S	*	*			trans	78.7	124.6	176.2	-164.9	0	0	0	0	114.9
1637	G	26.1	Very low	27.3	Very low	61 Å²	61	128.2 Å²	128.2	63%	0.629	72%	0.722	S	S	*	*			cis	138.3	140.4	-22.5	0	0	0	0	0	116.2
1638	L	24.3	Very low	27.2	Very low	172 Å²	172	131.6 Å²	131.6	90%	0.901	72%	0.724	S	S	*	*			trans	64.9	169.4	168.9	-68.4	165.6	0	0	0	115.5
1639	P	31.7	Very low	27.5	Very low	110 Å²	110	132.2 Å²	132.2	71%	0.714	72%	0.721	S	S	*	*			cis	-122.9	-162.7	-1.3	49.2	-35.3	0	0	0	110.9
1640	D	24.1	Very low	27.6	Very low	131 Å²	131	133.6 Å²	133.6	70%	0.701	72%	0.72	S	S	*	*			cis	-159	178.2	-9.5	-138.8	-31.3	0	0	0	113
1641	L	26.2	Very low	27.7	Very low	140 Å²	140	137.9 Å²	137.9	73%	0.733	73%	0.729	S	S	*	*			trans	64.2	131.2	143.1	-77.3	165.3	0	0	0	124.5
1642	S	27.3	Very low	28.2	Very low	111 Å²	111	141.9 Å²	141.9	78%	0.776	75%	0.749	S	S	*	*			trans	78.9	109.7	148.5	69.4	0	0	0	0	120.9
1643	Q	26.1	Very low	27.4	Very low	183 Å²	183	140.4 Å²	140.4	86%	0.855	74%	0.742	S	S	*	*			trans	-79.9	165.6	140.1	-54.4	-176.8	-8	0	0	108.6
1644	P	29	Very low	27.1	Very low	99 Å²	99	142.1 Å²	142.1	64%	0.643	75%	0.751	S	S	*	*				-147.9	-179.7	88	24.7	-0.6	0	0	0	116.2
1645	Y	28.1	Very low	27.3	Very low	194 Å²	194	138.5 Å²	138.5	76%	0.761	75%	0.751	S	S	*	*			trans	87.8	113.5	160.4	-57.8	-63.4	0	0	0	121
1646	L	27.1	Very low	27.4	Very low	151 Å²	151	136 Å²	136	79%	0.791	75%	0.748	S	S	*	*				61.3	133.9	129.7	-54	173	0	0	0	119.1
1647	V	27.3	Very low	27.2	Very low	125 Å²	125	136 Å²	136	76%	0.758	74%	0.744	S	S	*	*			cis	-154.7	140.8	-1.7	98.3	0	0	0	0	111.9
1648	R	22.7	Very low	27.2	Very low	217 Å²	217	143.4 Å²	143.4	82%	0.819	75%	0.754	S	S	*	*			trans	-78.7	152.2	150.9	-105.1	-173.2	-178.1	-171.8	2.5	107
1649	P	30.8	Very low	27.2	Very low	94 Å²	94	144.2 Å²	144.2	61%	0.61	75%	0.751	S	S	*	*				-155.7	-177.7	57.9	40.5	-18.9	0	0	0	117.4	F1651	P1649-F1651 HydrophobicContact CG-CD2 4.24Å
1650	N	23.3	Very low	26.8	Very low	132 Å²	132	145.8 Å²	145.8	71%	0.706	75%	0.751	S	S	*	*			trans	-51.2	149.7	150.3	-28.6	-48.3	0	0	0	110.4
1651	F	26.8	Very low	26.9	Very low	183 Å²	183	146.9 Å²	146.9	80%	0.803	75%	0.751	S	S	*	*			trans	-155.4	116.6	133.4	-102.2	-63.8	0	0	0	111.4	P1649 P1653	P1649-F1651 HydrophobicContact CG-CD2 4.24Å; F1651-P1653 HydrophobicContact CD1-CG 4.3Å
1652	L	32.9	Very low	26.8	Very low	168 Å²	168	145.6 Å²	145.6	88%	0.88	75%	0.745	S	S	*	*			trans	-108.6	125	146.5	-105.3	167.9	0	0	0	105.8
1653	P	26	Very low	26.7	Very low	86 Å²	86	146 Å²	146	56%	0.558	74%	0.738	S	S	*	*			trans	-139.1	179.4	139.4	37.3	-23.7	0	0	0	112.5	F1651	F1651-P1653 HydrophobicContact CD1-CG 4.3Å
1654	T	26.2	Very low	26.8	Very low	124 Å²	124	142.1 Å²	142.1	76%	0.761	74%	0.737	S	S	*	*			trans	58.1	91.8	166.5	49.2	0	0	0	0	117.7
1655	V	32.4	Very low	26.9	Very low	138 Å²	138	143.2 Å²	143.2	84%	0.836	74%	0.737	S	S	*	*				-94.6	131.6	125.6	-172.8	0	0	0	0	106.1
1656	P	28.2	Very low	27.3	Very low	108 Å²	108	139.5 Å²	139.5	70%	0.701	74%	0.737	S	S	*	*				-135.9	159.8	125.1	37.4	-28.1	0	0	0	113.3
1657	N	24.7	Very low	27.3	Very low	129 Å²	129	139.1 Å²	139.1	69%	0.69	73%	0.734	S	S	*	*			trans	-58.9	148	177.4	-49	-45.8	0	0	0	112
1658	Y	26.1	Very low	27.3	Very low	216 Å²	216	140.4 Å²	140.4	85%	0.847	73%	0.732	S	S	*	*				-166.6	159	90.9	-113	-84.6	0	0	0	113.5
1659	F	23.4	Very low	27.4	Very low	189 Å²	189	139.9 Å²	139.9	83%	0.829	74%	0.736	S	S	*	*			trans	-66.9	127.7	167.9	-104.5	-111.2	0	0	0	110.8
1660	M	23.9	Very low	27.1	Very low	144 Å²	144	140.4 Å²	140.4	71%	0.709	74%	0.741	S	S	*	*				165.4	130.1	123	-94	-76.2	170.7	0	0	112.1
1661	H	26	Very low	27.4	Very low	154 Å²	154	138.9 Å²	138.9	71%	0.713	74%	0.738	S	S	*	*			trans	52.5	151.6	137.5	-83.6	-138.6	0	0	0	122.3
1662	N	24.7	Very low	27.5	Very low	112 Å²	112	137.6 Å²	137.6	60%	0.599	74%	0.735	S	S	*	*			cis	-173	174.3	-31.5	-129.1	-31.2	0	0	0	110.7
1663	L	25	Very low	27.3	Very low	120 Å²	120	135.1 Å²	135.1	63%	0.628	72%	0.722	S	S	*	*			trans	44	118.6	142.8	-64.4	163.5	0	0	0	121.6	N1665	L1663-N1665 HydrophobicContact CB-CB 4.43Å; L1663-N1665 HydrophobicContact CD2-CB 3.8Å
1664	A	29.3	Very low	27.3	Very low	101 Å²	101	137.8 Å²	137.8	84%	0.835	73%	0.732	S	S	*	*				-156.2	117.7	118.5	0	0	0	0	0	107.3
1665	N	29.2	Very low	27.4	Very low	122 Å²	122	138.1 Å²	138.1	65%	0.652	73%	0.728	S	S	*	*			cis	64.1	112.5	14.2	-109.5	40	0	0	0	115.5	L1663	L1663-N1665 HydrophobicContact CB-CB 4.43Å; L1663-N1665 HydrophobicContact CD2-CB 3.8Å
1666	P	38.4	Very low	27.1	Very low	116 Å²	116	141.2 Å²	141.2	75%	0.753	73%	0.726	S	S	*	*			trans	-137.9	152.5	137.6	35.5	-21.9	0	0	0	113.5
1667	I	26.8	Very low	27	Very low	143 Å²	143	141 Å²	141	73%	0.733	72%	0.723	S	S	*	*			cis	-163.9	149.2	-21.5	-121.6	157.8	0	0	0	108.4
1668	H	26.4	Very low	27	Very low	153 Å²	153	142.1 Å²	142.1	71%	0.708	72%	0.724	S	S	*	*			trans	31.9	130.9	156.8	-66.2	-142.1	0	0	0	121.3
1669	F	25.5	Very low	26.9	Very low	205 Å²	205	139.6 Å²	139.6	90%	0.899	72%	0.72	S	S	*	*				-141	123.1	99.6	-107.9	-78.9	0	0	0	110.8
1670	C	23.2	Very low	26.9	Very low	105 Å²	105	136 Å²	136	71%	0.709	72%	0.718	S	S	*	*			trans	-112.7	151.1	152.3	-60.8	0	0	0	0	105.9
1671	P	30	Very low	27	Very low	100 Å²	100	132.4 Å²	132.4	65%	0.649	72%	0.718	S	S	*	*				-140.4	-163.8	86.6	41.3	-24	0	0	0	110.7
1672	E	28.5	Very low	26.9	Very low	157 Å²	157	133.5 Å²	133.5	73%	0.734	72%	0.723	S	S	*	*			cis	-156	155.5	10.3	-155	130.4	-108	0	0	112.6
1673	N	28.5	Very low	26.9	Very low	115 Å²	115	135 Å²	135	62%	0.615	73%	0.73	S	S	*	*			trans	26.8	125	157.8	-66.6	-32.5	0	0	0	122
1674	N	27.2	Very low	26.9	Very low	142 Å²	142	138.2 Å²	138.2	76%	0.759	74%	0.741	S	S	*	*			cis	85.8	158.9	49.2	-71.4	-42.5	0	0	0	114.7
1675	L	29.1	Very low	26.6	Very low	131 Å²	131	135.9 Å²	135.9	69%	0.686	73%	0.727	S	S	*	*			trans	89.9	118.7	167.7	-60.1	139.3	0	0	0	118
1676	Y	25.9	Very low	26.5	Very low	204 Å²	204	137.1 Å²	137.1	80%	0.8	74%	0.739	S	S	*	*			trans	62.4	140.9	156.6	-59.5	-54.8	0	0	0	118.7
1677	T	24.9	Very low	25.9	Very low	104 Å²	104	134.3 Å²	134.3	64%	0.638	73%	0.731	S	S	*	*			cis	-160	148.2	4.1	2.2	0	0	0	0	111.1
1678	H	25.7	Very low	25.9	Very low	151 Å²	151	134.6 Å²	134.6	70%	0.699	73%	0.734	S	S	*	*			trans	60.6	158.2	159.4	-72.2	-73	0	0	0	117
1679	Q	23.1	Very low	25.7	Very low	163 Å²	163	135 Å²	135	76%	0.762	74%	0.738	S	S	*	*			cis	61.4	148.6	44	-68.3	173.9	-11.2	0	0	111.7
1680	S	23.5	Very low	25.6	Very low	113 Å²	113	130.1 Å²	130.1	79%	0.79	73%	0.729	S	S	*	*			cis	-166.8	171.8	-1.8	38.2	0	0	0	0	108.9
1681	G	25.2	Very low	25.6	Very low	70 Å²	70	131.3 Å²	131.3	72%	0.722	73%	0.734	S	S	*	*			trans	91.5	139	175.2	0	0	0	0	0	112.1
1682	H	24	Very low	25.4	Very low	177 Å²	177	131.9 Å²	131.9	82%	0.819	73%	0.731	S	S	*	*	S	Bend	cis	55.2	109.9	29	-89.9	-46.1	0	0	0	115.4
1683	I	24.7	Very low	25.4	Very low	144 Å²	144	130 Å²	130	74%	0.738	73%	0.73	S	S	*	*			trans	50.3	83.2	137.6	-47.9	168.4	0	0	0	115.9
1684	H	25.7	Very low	25.3	Very low	186 Å²	186	130.8 Å²	130.8	86%	0.861	73%	0.73	S	S	*	*				-154.3	140.4	127.8	-97.3	-85.2	0	0	0	106.1
1685	G	23.7	Very low	25.3	Very low	53 Å²	53	134.5 Å²	134.5	55%	0.546	73%	0.734	S	S	.	*			cis	104	111.3	6.9	0	0	0	0	0	110.4
1686	V	27	Very low	25.1	Very low	148 Å²	148	140 Å²	140	90%	0.897	75%	0.745	S	S	*	*			trans	70.5	129.5	-175.4	-168.6	0	0	0	0	112.2
1687	G	24.2	Very low	25.1	Very low	56 Å²	56	134.4 Å²	134.4	58%	0.577	74%	0.736	S	S	*	*			cis	108.5	103	-4.3	0	0	0	0	0	114
1688	N	27.5	Very low	25.1	Very low	149 Å²	149	134.5 Å²	134.5	80%	0.797	73%	0.731	S	S	*	*			trans	-171.5	135.1	144.2	-89.7	-24.6	0	0	0	108.4
1689	M	23.2	Very low	25.2	Very low	161 Å²	161	138.1 Å²	138.1	79%	0.793	74%	0.739	S	S	*	*			cis	101.3	139.4	21.4	-73.8	-173	169.4	0	0	114.8
1690	S	22.6	Very low	25.5	Very low	103 Å²	103	134.8 Å²	134.8	72%	0.72	73%	0.73	S	S	*	*			trans	72.8	149.7	148.2	-64.9	0	0	0	0	118.4
1691	T	24.4	Very low	25.6	Very low	131 Å²	131	136.6 Å²	136.6	80%	0.804	73%	0.731	S	S	*	*			cis	-166.1	165.2	-2.8	13.7	0	0	0	0	107.5
1692	D	23.9	Very low	25.5	Very low	112 Å²	112	141.8 Å²	141.8	60%	0.599	74%	0.741	S	S	*	*			cis	-156.6	-129.6	-6.6	-179.9	-110.1	0	0	0	105.8
1693	V	30.3	Very low	25.4	Very low	117 Å²	117	136.6 Å²	136.6	71%	0.709	74%	0.736	S	S	*	*			trans	75.3	107.5	155.4	-167.4	0	0	0	0	116.8
1694	Q	24.7	Very low	25.2	Very low	131 Å²	131	135.8 Å²	135.8	61%	0.612	74%	0.741	S	S	*	*			cis	-168.1	168.9	-7.3	-132.1	177.5	45.6	0	0	111	I1698	Q1694-I1698 HydrophobicContact CG-CD1 4.3Å
1695	R	28.9	Very low	25	Very low	221 Å²	221	132.1 Å²	132.1	83%	0.834	74%	0.737	S	S	*	*	S	Bend	trans	71.1	107.7	173.4	-51.1	173.7	-177.4	-169	-0.3	114.9
1696	R	23.8	Very low	24.9	Very low	245 Å²	245	133.1 Å²	133.1	93%	0.925	74%	0.74	S	S	*	*	S	Bend	cis	-140.1	152.4	-4.7	-75.5	179.2	171.9	177.4	-3.4	107.6
1697	S	26.4	Very low	24.7	Very low	88 Å²	88	131.6 Å²	131.6	62%	0.615	73%	0.731	S	S	*	*			cis	-163.5	121.4	-21.7	-93.4	0	0	0	0	105
1698	I	24.3	Very low	24.6	Very low	105 Å²	105	137 Å²	137	54%	0.538	74%	0.739	S	S	.	*				56.9	109.5	90.1	-58.2	163	0	0	0	112.5	Q1694	Q1694-I1698 HydrophobicContact CG-CD1 4.3Å
1699	R	27.5	Very low	24.7	Very low	227 Å²	227	136.4 Å²	136.4	86%	0.857	74%	0.735	S	S	*	*			trans	176.4	125.6	138.7	-94	-157.1	166.6	146.2	-0.5	108.4
1700	T	30.3	Very low	25	Very low	94 Å²	94	134.4 Å²	134.4	58%	0.577	73%	0.728	S	S	*	*				59	132.4	74.7	69.4	0	0	0	0	113.4
1701	D	25.4	Very low	25.6	Very low	151 Å²	151	136.1 Å²	136.1	81%	0.807	74%	0.735	S	S	*	*			cis	-159.3	166.9	3.1	-106.9	-22.7	0	0	0	113.2
1702	L	24.1	Very low	26	Very low	178 Å²	178	132.7 Å²	132.7	93%	0.932	73%	0.725	S	S	*	*			trans	-73.9	136.5	156.2	-78.1	158.4	0	0	0	109.4
1703	G	21.8	Very low	26.2	Very low	69 Å²	69	133.6 Å²	133.6	71%	0.711	74%	0.735	S	S	*	*			trans	169.8	102.4	168.2	0	0	0	0	0	116.6
1704	C	20.5	Very low	25.8	Very low	127 Å²	127	134 Å²	134	86%	0.858	74%	0.738	S	S	*	*			trans	61.7	125.6	164.5	-65.3	0	0	0	0	116.7
1705	S	20.9	Very low	25.8	Very low	109 Å²	109	133.5 Å²	133.5	76%	0.762	74%	0.744	S	S	*	*				80	141.9	57.3	-166.4	0	0	0	0	113.4
1706	A	21.8	Very low	25.4	Very low	74 Å²	74	127.1 Å²	127.1	61%	0.612	73%	0.733	S	S	*	*			trans	52.1	102.8	161.3	0	0	0	0	0	117.7
1707	T	21.9	Very low	25.4	Very low	116 Å²	116	121.5 Å²	121.5	71%	0.712	72%	0.721	S	S	*	*				66.7	154.3	70.4	69.1	0	0	0	0	115.3
1708	F	23.2	Very low	25.2	Very low	170 Å²	170	122.3 Å²	122.3	75%	0.746	73%	0.726	S	S	*	*			trans	74.8	126.3	-172.6	-58.6	-77.7	0	0	0	113.8
1709	N	30	Very low	25.3	Very low	135 Å²	135	124.9 Å²	124.9	72%	0.722	74%	0.741	S	S	*	*	S	Bend	cis	-116.9	125.7	8.2	-73.8	-55.8	0	0	0	110.7
1710	N	29.5	Very low	25.2	Very low	119 Å²	119	120.1 Å²	120.1	64%	0.636	73%	0.732	S	S	*	*				76.4	125.6	95	-59.5	-9.3	0	0	0	112.8
1711	T	34	Very low	25.1	Very low	140 Å²	140	124.4 Å²	124.4	86%	0.859	75%	0.745	S	S	*	*			cis	-149.5	156.8	-0.2	47.5	0	0	0	0	108.7
1712	G	32.8	Very low	25.1	Very low	59 Å²	59	120 Å²	120	61%	0.608	74%	0.735	S	S	*	*			cis	169.1	174	-1.2	0	0	0	0	0	111.1
1713	T	28.9	Very low	25.3	Very low	130 Å²	130	120.1 Å²	120.1	80%	0.798	74%	0.737	S	S	*	*			trans	61.9	132.2	171	55.9	0	0	0	0	117.7
1714	T	22.1	Very low	25.6	Very low	127 Å²	127	120 Å²	120	78%	0.779	74%	0.736	S	S	*	*			cis	71.6	147.1	37.1	79	0	0	0	0	113.7
1715	V	24.2	Very low	25.9	Very low	120 Å²	120	122.7 Å²	122.7	73%	0.727	74%	0.738	S	S	*	*			cis	-146.4	-168	2.6	89.8	0	0	0	0	111
1716	S	20.5	Very low	26.2	Very low	87 Å²	87	125.8 Å²	125.8	61%	0.608	75%	0.746	S	S	*	*			trans	-71.1	-158.6	169.7	53.9	0	0	0	0	113.6
1717	D	23.8	Very low	26.5	Very low	127 Å²	127	125.5 Å²	125.5	68%	0.679	75%	0.75	S	S	*	*			trans	98.6	104	164.7	-50.5	-3.3	0	0	0	112.7
1718	S	22.3	Very low	26.6	Very low	104 Å²	104	125.1 Å²	125.1	73%	0.727	75%	0.752	S	S	*	*			cis	70.3	133.9	36.2	-46.1	0	0	0	0	114.5
1719	L	27	Very low	27	Very low	160 Å²	160	123.6 Å²	123.6	84%	0.838	76%	0.757	S	S	*	*			trans	70.7	113.2	-172.9	-51.2	172.5	0	0	0	113
1720	N	24.1	Very low	26.9	Very low	126 Å²	126	123 Å²	123	67%	0.674	76%	0.758	S	S	*	*				82.9	122.6	52.4	-80	-10.1	0	0	0	114.5
1721	H	27.6	Very low	26.8	Very low	185 Å²	185	123.9 Å²	123.9	86%	0.856	76%	0.763	S	S	*	*			trans	65.8	139.1	165.4	-47	-51	0	0	0	116.9
1722	G	27.3	Very low	26.4	Very low	58 Å²	58	125.2 Å²	125.2	60%	0.598	76%	0.759	S	S	*	*			cis	157.8	135.5	-9.1	0	0	0	0	0	112.7
1723	N	27.2	Very low	26.2	Very low	181 Å²	181	127.6 Å²	127.6	97%	0.968	76%	0.762	S	S	*	*			trans	64.1	156.1	178.6	-50.6	-24.1	0	0	0	114.4
1724	G	27.2	Very low	26.1	Very low	67 Å²	67	126 Å²	126	69%	0.691	76%	0.756	S	S	*	*			cis	169.6	127.7	-11.7	0	0	0	0	0	112.8
1725	M	27.1	Very low	26.3	Very low	183 Å²	183	127 Å²	127	90%	0.901	76%	0.757	S	S	*	*			trans	44.2	123.9	158.5	-65.2	-173.7	172.1	0	0	121.5
1726	N	27.9	Very low	26.8	Very low	173 Å²	173	125.8 Å²	125.8	93%	0.925	75%	0.752	S	S	*	*			trans	174.7	137.8	130.3	-85.8	-28.4	0	0	0	107
1727	G	27.4	Very low	26.9	Very low	68 Å²	68	128.9 Å²	128.9	70%	0.701	76%	0.76	S	S	*	*			cis	-172.3	-169.8	-4.9	0	0	0	0	0	107.6
1728	S	24.7	Very low	27	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	76%	0.763	S	S	*	*			cis	174.3	100.4	-18	46.1	0	0	0	0	110.1
1729	T	30.7	Very low	27.1	Very low	139 Å²	139	130.5 Å²	130.5	85%	0.853	77%	0.768	S	S	*	*			trans	-176.1	136.7	172.2	36.1	0	0	0	0	110.4
1730	V	29.4	Very low	26.9	Very low	121 Å²	121	128.1 Å²	128.1	73%	0.733	76%	0.764	S	S	*	*			cis	-139.4	166	-23.4	174.1	0	0	0	0	106.7
1731	N	25.8	Very low	27.4	Very low	138 Å²	138	127.3 Å²	127.3	74%	0.738	77%	0.766	S	S	*	*			trans	-51.9	174.9	165.4	-51.5	-40	0	0	0	112.4
1732	E	27	Very low	27.2	Very low	169 Å²	169	123.4 Å²	123.4	79%	0.79	76%	0.759	S	S	*	*			cis	-161	155	48.8	-71.3	-173.5	155.2	0	0	110.5
1733	T	28.2	Very low	27.1	Very low	108 Å²	108	125.5 Å²	125.5	66%	0.663	77%	0.765	S	S	*	*			cis	-155	137.3	-9.7	11.8	0	0	0	0	110.6
1734	S	26.5	Very low	26.9	Very low	96 Å²	96	125.6 Å²	125.6	67%	0.671	76%	0.757	S	S	*	*			trans	26.1	132.7	132.1	70.7	0	0	0	0	120
1735	N	26.5	Very low	26.8	Very low	150 Å²	150	128.8 Å²	128.8	80%	0.802	76%	0.757	S	S	*	*			cis	59.9	163.3	38.2	-128.5	6.7	0	0	0	111
1736	P	34.2	Very low	26.6	Very low	94 Å²	94	123.5 Å²	123.5	61%	0.61	74%	0.742	S	S	*	*			cis	-147.6	179.7	14.5	42.8	-21.3	0	0	0	119.1
1737	L	22.8	Very low	26.3	Very low	152 Å²	152	120.7 Å²	120.7	80%	0.796	72%	0.722	S	S	*	*			trans	79.8	159.4	134.5	-92.1	166.5	0	0	0	124
1738	I	26.2	Very low	26	Very low	144 Å²	144	121.8 Å²	121.8	74%	0.738	72%	0.719	S	S	*	*			trans	90.6	99.5	160	-66.2	145.6	0	0	0	119.6
1739	C	24.7	Very low	26.1	Very low	121 Å²	121	121.8 Å²	121.8	82%	0.818	72%	0.718	S	S	*	*			trans	60.2	143.4	132	-59.4	0	0	0	0	124.9
1740	S	22.6	Very low	25.9	Very low	109 Å²	109	122 Å²	122	76%	0.762	71%	0.714	S	S	*	*			trans	-65.2	179.6	155.1	-25.7	0	0	0	0	112.2
1741	P	34.6	Very low	25.7	Very low	110 Å²	110	124 Å²	124	71%	0.714	72%	0.715	S	S	*	*			cis	-139.6	179.6	1.2	42.9	-24.9	0	0	0	116.5
1742	S	23.9	Very low	25.8	Very low	103 Å²	103	124.3 Å²	124.3	72%	0.72	72%	0.717	S	S	*	*			trans	50.6	112.6	143.5	-62	0	0	0	0	123.3
1743	S	24.6	Very low	25.7	Very low	101 Å²	101	122.2 Å²	122.2	71%	0.706	72%	0.715	S	S	*	*				93.6	153.6	117.3	74.3	0	0	0	0	123.4
1744	F	23.7	Very low	25.5	Very low	184 Å²	184	122.7 Å²	122.7	81%	0.807	72%	0.718	S	S	*	*			trans	87.2	112.3	162.7	-77.9	-80.4	0	0	0	123.3
1745	L	23.6	Very low	25.4	Very low	134 Å²	134	124.2 Å²	124.2	70%	0.702	73%	0.727	S	S	*	*			trans	73.5	113.4	138.1	-84.6	166.1	0	0	0	124.5
1746	A	23.4	Very low	25.3	Very low	71 Å²	71	125.7 Å²	125.7	59%	0.587	73%	0.729	S	S	*	*			trans	68.4	166.1	136.1	0	0	0	0	0	118.4
1747	F	22	Very low	25.4	Very low	114 Å²	114	126.2 Å²	126.2	50%	0.5	73%	0.733	S	S	.	*			cis	-150.7	146.7	16.9	-137	-87.2	0	0	0	110.8
1748	S	21.8	Very low	25.3	Very low	91 Å²	91	124.6 Å²	124.6	64%	0.636	73%	0.729	S	S	*	*			trans	54.5	147.2	159.1	-162.8	0	0	0	0	123
1749	C	26.7	Very low	25.3	Very low	109 Å²	109	124.4 Å²	124.4	74%	0.736	74%	0.735	S	S	*	*			trans	-55	162.7	156.8	-50.6	0	0	0	0	111.7
1750	N	24.8	Very low	25.1	Very low	144 Å²	144	127.6 Å²	127.6	77%	0.77	74%	0.735	S	S	*	*			cis	-157.8	173.8	47.9	-150.3	7.2	0	0	0	116.6
1751	H	26.9	Very low	25.2	Very low	162 Å²	162	132.1 Å²	132.1	75%	0.75	74%	0.741	S	S	*	*			trans	-58.7	169.2	173.5	-62.4	-42.3	0	0	0	114
1752	N	27.4	Very low	24.5	Very low	144 Å²	144	132.1 Å²	132.1	77%	0.77	74%	0.744	S	S	*	*			cis	-155.4	-159.6	16.1	-144.3	-10	0	0	0	112.4
1753	V	25.2	Very low	24.5	Very low	126 Å²	126	134.2 Å²	134.2	76%	0.764	74%	0.742	S	S	*	*			trans	85.9	120.5	177.5	-178.7	0	0	0	0	112.1
1754	T	24.4	Very low	24.4	Very low	117 Å²	117	137.9 Å²	137.9	72%	0.718	75%	0.748	S	S	*	*			cis	-139.4	168.9	-1.1	1.5	0	0	0	0	108.8
1755	C	23.9	Very low	24.4	Very low	128 Å²	128	136.2 Å²	136.2	87%	0.865	74%	0.741	S	S	*	*			cis	-138.8	165.6	47.6	-69.8	0	0	0	0	115.1
1756	E	23.1	Very low	24.4	Very low	181 Å²	181	137.4 Å²	137.4	85%	0.846	75%	0.748	S	S	*	*			trans	-83.5	173.1	-179.1	-88.6	-143.6	112.8	0	0	115.1
1757	P	36.8	Very low	24.4	Very low	105 Å²	105	140 Å²	140	68%	0.682	75%	0.751	S	S	*	*			trans	-117	-156.7	-163.2	31.6	-10.9	0	0	0	113.6
1758	V	21.8	Very low	24.4	Very low	119 Å²	119	139.3 Å²	139.3	72%	0.721	76%	0.76	S	S	*	*			trans	73.1	111.1	165	-170.2	0	0	0	0	117.3
1759	T	24.9	Very low	24.5	Very low	139 Å²	139	140 Å²	140	85%	0.853	76%	0.757	S	S	*	*				-129.3	130.5	123.9	29.7	0	0	0	0	109.4
1760	K	20.9	Very low	24.4	Very low	189 Å²	189	141 Å²	141	82%	0.822	75%	0.751	S	S	*	*			trans	-79.4	141.5	157.3	-70.7	175.7	179.9	171	0	107.4
1761	F	24.2	Very low	24.3	Very low	204 Å²	204	141.6 Å²	141.6	90%	0.895	75%	0.751	S	S	*	*			trans	-120.9	145.4	142	-110.4	-84.3	0	0	0	108.9
1762	S	21.3	Very low	24.1	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	75%	0.748	S	S	*	*			trans	-81.6	169.5	-167.7	46.8	0	0	0	0	113.5
1763	E	23.1	Very low	23.8	Very low	147 Å²	147	141.9 Å²	141.9	69%	0.687	75%	0.751	S	S	*	*			trans	-54.6	151.1	171.4	-57.5	176.7	89.9	0	0	112.1	K1765	E1763-K1765 IonicContact OE1-NZ 3.23Å; E1763-K1765 PolarHBondContact OE1-NZ 3.08Å
1764	E	23	Very low	23.8	Very low	178 Å²	178	141.6 Å²	141.6	83%	0.832	75%	0.754	S	S	*	*				-146.2	160.9	113.7	-132	-176.1	-164	0	0	112.2
1765	K	23.5	Very low	23.7	Very low	149 Å²	149	144.5 Å²	144.5	65%	0.648	76%	0.759	S	S	*	*			trans	-106	138.7	-179.3	-58.6	172.5	-178.5	77.4	0	108.6	E1763	E1763-K1765 IonicContact OE1-NZ 3.23Å; E1763-K1765 PolarHBondContact OE1-NZ 3.08Å
1766	N	24.3	Very low	23.7	Very low	159 Å²	159	145.3 Å²	145.3	85%	0.85	75%	0.754	S	S	*	*			trans	-160.4	172.1	137	-106.5	-48.4	0	0	0	113.2
1767	L	23.4	Very low	23.7	Very low	124 Å²	124	144.7 Å²	144.7	65%	0.649	75%	0.751	S	S	*	*			trans	-104.8	161.2	-156.4	-71.6	89.6	0	0	0	115.9
1768	S	21.3	Very low	23.1	Very low	100 Å²	100	147.7 Å²	147.7	70%	0.699	76%	0.756	S	S	*	*			trans	75.5	136.2	140.6	59.2	0	0	0	0	121.1
1769	D	23.6	Very low	23.2	Very low	105 Å²	105	148.9 Å²	148.9	56%	0.561	76%	0.757	S	S	*	*			trans	34.8	135	132.2	-62.9	-58.9	0	0	0	119.2	R45	R45-D1769 VanDerWaalsContact CZ-CG 3.48Å; R45-D1769 IonicContact CZ-OD1 2.69Å; R45-D1769 IonicContact CZ-OD2 2.68Å; R45-D1769 IonicContact NE-OD1 3.68Å; R45-D1769 PolarHBondContact NE-OD1 3.27Å; R45-D1769 IonicContact NE-OD2 2.78Å; R45-D1769 PolarHBondContact NE-OD2 2.59Å; R45-D1769 IonicContact NH2-OD1 2.95Å; R45-D1769 PolarHBondContact NH2-OD1 3.39Å; R45-D1769 IonicContact NH2-OD2 3.84Å
1770	E	24	Very low	23.2	Very low	132 Å²	132	146.7 Å²	146.7	62%	0.617	74%	0.744	S	S	*	*			cis	-160.1	-175.4	30.2	-168.7	150.7	-149.8	0	0	112.3	R45	R45-E1770 IonicContact CZ-OE1 2.78Å; R45-E1770 VanDerWaalsContact CZ-OE1 3.23Å; R45-E1770 IonicContact CZ-OE2 3.77Å; R45-E1770 IonicContact NH1-OE1 2.9Å; R45-E1770 PolarHBondContact NH1-OE1 3.37Å; R45-E1770 IonicContact NH1-OE2 3.96Å; R45-E1770 PolarHBondContact NH1-OE2 3.41Å; R45-E1770 VanDerWaalsContact NH2-CD 3.29Å; R45-E1770 IonicContact NH2-OE1 3.55Å; R45-E1770 PolarHBondContact NH2-OE1 2.88Å; R45-E1770 IonicContact NH2-OE2 2.84Å
1771	M	23	Very low	23.9	Very low	155 Å²	155	143 Å²	143	76%	0.764	74%	0.739	S	S	*	*			trans	85.2	102.1	158.5	-67.5	-164.3	151.6	0	0	119.6	H1773	M1771-H1773 PolarHBondContact O-N 2.97Å
1772	N	22.6	Very low	24	Very low	132 Å²	132	144.6 Å²	144.6	71%	0.706	74%	0.739	S	S	*	*				31.8	91.1	101.7	-55	-14.6	0	0	0	116.7
1773	H	22.5	Very low	24	Very low	180 Å²	180	146.4 Å²	146.4	83%	0.833	74%	0.739	S	S	*	*				-178.5	114.2	117.1	-100.9	71.2	0	0	0	110.1	M1771	M1771-H1773 PolarHBondContact O-N 2.97Å
1774	C	23.4	Very low	24.1	Very low	121 Å²	121	146 Å²	146	82%	0.818	74%	0.742	S	S	*	*			trans	-170.8	114.4	139.8	-100.9	0	0	0	0	111.4
1775	H	24.3	Very low	24.2	Very low	177 Å²	177	144 Å²	144	82%	0.819	74%	0.737	S	S	*	*			trans	31.6	129.8	144.2	-72.9	-85.9	0	0	0	122.3
1776	L	22.4	Very low	24.2	Very low	146 Å²	146	145 Å²	145	76%	0.764	74%	0.744	S	S	*	*			trans	-45.4	135.6	146.8	-68.8	61.4	0	0	0	110.5
1777	E	22.8	Very low	24.2	Very low	167 Å²	167	146.9 Å²	146.9	78%	0.78	74%	0.741	S	S	*	*				-165.1	168.5	108.8	-107.2	174.5	-178.1	0	0	111.8
1778	H	25.8	Very low	24.2	Very low	168 Å²	168	149.3 Å²	149.3	78%	0.778	74%	0.743	S	S	*	*			trans	54.5	85.5	172.2	-62.6	-65.3	0	0	0	119.6
1779	L	23.2	Very low	24.5	Very low	145 Å²	145	150 Å²	150	76%	0.759	75%	0.747	S	S	*	*			trans	-131.8	92.2	140.5	-101.3	177.7	0	0	0	111.3	F672	F672-L1779 HydrophobicContact CE2-CD1 4.18Å
1780	T	25.5	Very low	24.6	Very low	93 Å²	93	151.3 Å²	151.3	57%	0.571	75%	0.753	S	S	*	*			trans	-142.5	134.7	153.2	-27	0	0	0	0	108.5	L534	L534-T1780 HydrophobicContact CD1-CG2 4.26Å; L534-T1780 VanDerWaalsContact CD1-OG1 3.24Å; L534-T1780 WeakPolarHBondContact CD1-OG1 3.41Å; L534-T1780 HydrophobicContact CD2-CG2 3.65Å; L534-T1780 WeakPolarHBondContact CD2-OG1 3.23Å; L534-T1780 HydrophobicContact CG-CG2 4.46Å
1781	P	33.9	Very low	24.7	Very low	111 Å²	111	149.7 Å²	149.7	72%	0.721	75%	0.749	S	S	*	*			trans	-92.9	157	-175.7	36.2	-35.4	0	0	0	112.3
1782	W	26.5	Very low	24.8	Very low	238 Å²	238	145.5 Å²	145.5	90%	0.902	75%	0.746	S	S	*	*			trans	-128.9	146.2	159.7	-112.4	65.7	0	0	0	110.8
1783	L	21.9	Very low	25.2	Very low	147 Å²	147	143.9 Å²	143.9	77%	0.77	74%	0.737	S	S	*	*			trans	-77.5	136.8	163.7	-60	88.4	0	0	0	107.5
1784	N	25.3	Very low	25.4	Very low	138 Å²	138	139.3 Å²	139.3	74%	0.738	72%	0.718	S	S	*	*				-153.5	155.1	124.5	-119.6	-24	0	0	0	113.4
1785	N	25.7	Very low	25.5	Very low	136 Å²	136	139.9 Å²	139.9	73%	0.727	71%	0.714	S	S	*	*			trans	-55.6	160.9	-166.7	-60.4	-35.9	0	0	0	116	Y1787	N1785-Y1787 PolarHBondContact O-N 3.37Å
1786	Q	22.1	Very low	25.7	Very low	171 Å²	171	141.6 Å²	141.6	80%	0.799	72%	0.719	S	S	*	*			trans	-51.5	133.4	147.2	-65.7	175.1	-27.8	0	0	110.2
1787	Y	26.1	Very low	25.8	Very low	199 Å²	199	140.4 Å²	140.4	78%	0.78	72%	0.717	S	S	*	*				-131.7	121	125.4	-106.9	-87.2	0	0	0	108	N1785	N1785-Y1787 PolarHBondContact O-N 3.37Å
1788	Y	23.1	Very low	25.9	Very low	175 Å²	175	138.7 Å²	138.7	69%	0.686	71%	0.712	S	S	*	*			trans	-72.9	119.6	150.2	-96	-86.1	0	0	0	106.9	E1357	E1357-Y1788 PolarHBondContact O-OH 2.71Å
1789	S	26.3	Very low	25.7	Very low	113 Å²	113	135.9 Å²	135.9	79%	0.79	71%	0.707	S	S	*	*			trans	-137	140.7	142.8	-168.4	0	0	0	0	106.2
1790	L	27.1	Very low	25.7	Very low	133 Å²	133	133.7 Å²	133.7	70%	0.696	70%	0.699	S	S	*	*			trans	-82.3	144.4	-164.2	-68.3	117.3	0	0	0	113.3
1791	N	25.1	Very low	25.5	Very low	99 Å²	99	134 Å²	134	53%	0.529	69%	0.694	S	S	.	*			trans	43.9	133.5	141.8	-53.8	0.6	0	0	0	120.9
1792	G	25.6	Very low	25.4	Very low	67 Å²	67	132.6 Å²	132.6	69%	0.691	69%	0.685	S	S	*	*			trans	91	134.8	157.5	0	0	0	0	0	116
1793	D	30.2	Very low	25.2	Very low	97 Å²	97	130 Å²	130	52%	0.519	68%	0.675	S	S	.	*			cis	-157.5	153.5	-7.8	-135.3	24.1	0	0	0	112.3	N1363	N1363-D1793 PolarHBondContact ND2-OD2 2.77Å
1794	N	27	Very low	25.4	Very low	84 Å²	84	126 Å²	126	45%	0.449	66%	0.659	S	S	.	*			trans	57.5	118	154	-56.4	-37.8	0	0	0	123.1	N1363	N1363-N1794 PolarHBondContact ND2-ND2 2.91Å; N1363-N1794 PolarHBondContact ND2-OD1 3.26Å
1795	N	26	Very low	25.4	Very low	134 Å²	134	126 Å²	126	72%	0.717	66%	0.659	S	S	*	*				61.7	110.3	127.2	-61.2	-25.8	0	0	0	122.1
1796	K	28.9	Very low	25.6	Very low	213 Å²	213	126.7 Å²	126.7	93%	0.926	66%	0.662	S	S	*	*				-157	157.4	108.9	-109.6	162.5	-173.3	171.7	0	112.9
1797	T	24.1	Very low	25.9	Very low	120 Å²	120	125.9 Å²	125.9	74%	0.736	66%	0.663	S	S	*	*			trans	-129	169.4	-158.3	-40.8	0	0	0	0	111.4
1798	I	24.8	Very low	25.8	Very low	131 Å²	131	121.1 Å²	121.1	67%	0.672	66%	0.658	S	S	*	*			trans	83.6	84.3	162.5	-46.5	-177.6	0	0	0	118.6
1799	V	21.5	Very low	25.9	Very low	110 Å²	110	118.9 Å²	118.9	67%	0.667	66%	0.658	S	S	*	*				60.1	105.1	101.7	173.2	0	0	0	0	121.6
1800	V	22.1	Very low	25.8	Very low	99 Å²	99	117.6 Å²	117.6	60%	0.6	64%	0.643	S	S	*	*				81.2	114	124.8	174.9	0	0	0	0	123.9	N1500	N1500-V1800 PolarHBondContact N-O 3.42Å
1801	H	21.9	Very low	25.9	Very low	98 Å²	98	117.5 Å²	117.5	45%	0.454	64%	0.643	S	S	.	*			trans	48	169.5	132.7	-73.4	-90	0	0	0	123.1	E1496 S1498 R1499 N1500	E1496-H1801 PolarHBondContact O-CE1 2.99Å; E1496-H1801 PolarHBondContact O-ND1 3.04Å; E1496-H1801 VanDerWaalsContact O-ND1 3.09Å; S1498-H1801 VanDerWaalsContact C-CA 3.41Å; S1498-H1801 WeakPolarHBondContact O-CA 3.24Å; S1498-H1801 PolarHBondContact O-N 2.96Å; R1499-H1801 CarbonylContact C-O 3.4Å; R1499-H1801 VanDerWaalsContact N-C 3.26Å; R1499-H1801 PolarHBondContact N-O 3.09Å; N1500-H1801 PolarHBondContact N-O 2.88Å
1802	P	31.6	Very low	25.9	Very low	83 Å²	83	121.6 Å²	121.6	54%	0.539	65%	0.652	S	S	.	*			cis	-136.6	154.1	5.3	39.9	-21.2	0	0	0	119.9	S1498	S1498-P1802 WeakPolarHBondContact CB-O 3.38Å; S1498-P1802 VanDerWaalsContact N-C 3.32Å; S1498-P1802 WeakPolarHBondContact OG-CA 3.34Å; S1498-P1802 VanDerWaalsContact OG-N 3.14Å; S1498-P1802 PolarHBondContact OG-O 3.16Å
1803	R	23.3	Very low	25.8	Very low	182 Å²	182	127.7 Å²	127.7	69%	0.687	66%	0.656	S	S	*	*			trans	76.8	119	161.6	-74.4	-166	176.3	102.4	1.6	124.3	R1497 S1498	R1497-R1803 VanDerWaalsContact C-N 3.27Å; R1497-R1803 CarbonylContact O-C 3.25Å; R1497-R1803 WeakPolarHBondContact O-CA 3.17Å; R1497-R1803 PolarHBondContact O-N 3.38Å; S1498-R1803 VanDerWaalsContact N-N 3.17Å
1804	S	26	Very low	25.7	Very low	63 Å²	63	132.6 Å²	132.6	44%	0.441	67%	0.668	S	S	.	*				94.5	147.1	108.1	75.7	0	0	0	0	124.9	E1496 R1497	E1496-S1804 WeakPolarHBondContact OE1-CA 3.27Å; E1496-S1804 WeakPolarHBondContact OE1-CB 3.03Å; R1497-S1804 PolarHBondContact O-N 2.64Å
1805	N	25.4	Very low	25.6	Very low	139 Å²	139	135.1 Å²	135.1	74%	0.743	68%	0.678	S	S	*	*			trans	87	143	155.3	-81.7	-19.1	0	0	0	122.7
1806	L	30.5	Very low	25.8	Very low	150 Å²	150	134.4 Å²	134.4	79%	0.785	68%	0.68	S	S	*	*			trans	67.5	116.5	174.4	-59.1	169.9	0	0	0	115.2
1807	L	26.8	Very low	25.7	Very low	154 Å²	154	131.6 Å²	131.6	81%	0.806	67%	0.67	S	S	*	*			cis	62.7	136.2	43.8	-54.1	170.3	0	0	0	112.5
1808	S	25.5	Very low	25.8	Very low	99 Å²	99	133 Å²	133	69%	0.692	67%	0.669	S	S	*	*			cis	-155	160.3	-7.4	47.3	0	0	0	0	107.1
1809	N	24.1	Very low	25.9	Very low	128 Å²	128	133.5 Å²	133.5	68%	0.684	67%	0.671	S	S	*	*				41.8	138.1	73.9	-79.6	47.4	0	0	0	113.3
1810	D	24.7	Very low	25.9	Very low	87 Å²	87	137.6 Å²	137.6	47%	0.465	68%	0.683	S	S	.	*			cis	-158.1	176	17.2	-135.6	-38.4	0	0	0	115	Y1812	D1810-Y1812 HydrophobicContact CB-CE2 4.01Å; D1810-Y1812 WeakPolarHBondContact O-CD2 3.48Å; D1810-Y1812 WeakPolarHBondContact O-CE2 3.25Å
1811	N	28	Very low	26.2	Very low	131 Å²	131	140.1 Å²	140.1	70%	0.701	69%	0.688	S	S	*	*			trans	-51.8	140.4	158.8	-56.5	-97.9	0	0	0	111.7
1812	Y	25.2	Very low	26.4	Very low	185 Å²	185	142.3 Å²	142.3	73%	0.725	70%	0.698	S	S	*	*			trans	-129.8	102.3	166.2	-74.9	-74.6	0	0	0	114.4	D1810	D1810-Y1812 HydrophobicContact CB-CE2 4.01Å; D1810-Y1812 WeakPolarHBondContact O-CD2 3.48Å; D1810-Y1812 WeakPolarHBondContact O-CE2 3.25Å
1813	Y	24.4	Very low	26.1	Very low	195 Å²	195	144.9 Å²	144.9	77%	0.765	71%	0.706	S	S	*	*				26.3	139.7	115.8	-74	-89.3	0	0	0	119.8
1814	Y	27.6	Very low	26.4	Very low	199 Å²	199	141.5 Å²	141.5	78%	0.78	70%	0.702	S	S	*	*	S	Bend	trans	-116.9	133.7	143.9	-93.1	-107.7	0	0	0	108.5
1815	E	25.2	Very low	26.6	Very low	138 Å²	138	148.6 Å²	148.6	65%	0.645	73%	0.725	S	S	*	*			cis	-155.7	165.4	-7.9	-129.6	-177.8	172.3	0	0	109.9
1816	P	30	Very low	26.5	Very low	119 Å²	119	148.6 Å²	148.6	77%	0.773	72%	0.716	S	S	*	*			trans	-109	-115.2	-178.2	38.8	-24.7	0	0	0	112.5
1817	E	26.2	Very low	26.3	Very low	153 Å²	153	149.7 Å²	149.7	72%	0.715	72%	0.717	S	S	*	*			trans	68.8	146.1	-171.1	-58.8	-151.1	168.4	0	0	115.8
1818	Q	26.7	Very low	26.1	Very low	150 Å²	150	149.1 Å²	149.1	70%	0.701	71%	0.71	S	S	*	*			cis	-151	167.8	11.9	-146	175.6	66.6	0	0	112.9
1819	I	26.7	Very low	26.1	Very low	141 Å²	141	152 Å²	152	72%	0.723	71%	0.71	S	S	*	*			trans	74.9	107	165.7	-54.2	172.4	0	0	0	116.9	H1821	I1819-H1821 HydrophobicContact CG2-CB 3.96Å
1820	Q	22.1	Very low	26.3	Very low	196 Å²	196	153 Å²	153	92%	0.916	71%	0.711	S	S	*	*			trans	-103.3	123	153.8	-178.1	174	0.9	0	0	107.7
1821	H	28.1	Very low	26.4	Very low	153 Å²	153	157 Å²	157	71%	0.708	72%	0.724	S	S	*	*			trans	-148.9	148	178.5	-154.8	-118	0	0	0	111.5	I1819	I1819-H1821 HydrophobicContact CG2-CB 3.96Å
1822	H	27.7	Very low	26.2	Very low	144 Å²	144	157 Å²	157	67%	0.667	72%	0.724	S	S	*	*			trans	63.9	77.6	178.4	-84.9	45.2	0	0	0	117.3
1823	L	24.5	Very low	26.2	Very low	136 Å²	136	154 Å²	154	71%	0.712	73%	0.725	S	S	*	*				-56.1	128.6	123.8	-68.8	157.1	0	0	0	108.8	Y1826	L1823-Y1826 HydrophobicContact CB-CE2 4.15Å; L1823-Y1826 HydrophobicContact CD2-CE2 4.23Å
1824	N	29.4	Very low	26.1	Very low	112 Å²	112	151.5 Å²	151.5	60%	0.599	73%	0.725	S	S	*	*			trans	169.5	73.4	148.2	-88.6	-14.3	0	0	0	112.7
1825	F	30.2	Very low	25.9	Very low	211 Å²	211	148 Å²	148	93%	0.925	72%	0.718	S	S	*	*			trans	-177.9	82	155.3	-108.9	-73.3	0	0	0	103.6
1826	Y	24.1	Very low	25.8	Very low	139 Å²	139	152.5 Å²	152.5	55%	0.545	73%	0.729	S	S	.	*			cis	59.8	133.6	30.3	-76.2	-110.9	0	0	0	111.9	L1823	L1823-Y1826 HydrophobicContact CB-CE2 4.15Å; L1823-Y1826 HydrophobicContact CD2-CE2 4.23Å
1827	E	25.9	Very low	25.6	Very low	173 Å²	173	152.9 Å²	152.9	81%	0.808	73%	0.729	S	S	*	*			cis	-124.7	177.4	18.5	-75.2	-162.8	102.6	0	0	116.5
1828	Q	21.8	Very low	25.5	Very low	143 Å²	143	151.2 Å²	151.2	67%	0.668	73%	0.73	S	S	*	*			trans	-65.9	150	168.5	-48.1	159.9	3	0	0	112.4
1829	K	25.4	Very low	25.4	Very low	159 Å²	159	151.1 Å²	151.1	69%	0.691	73%	0.734	S	S	*	*				161	151	112.5	-93.6	164.1	-175.4	166	0	114.1
1830	H	27.9	Very low	25.4	Very low	149 Å²	149	155.9 Å²	155.9	69%	0.69	74%	0.742	S	S	*	*			trans	60.6	110.6	159.6	-62.1	-38.9	0	0	0	117.1
1831	K	26.5	Very low	25.5	Very low	171 Å²	171	151 Å²	151	74%	0.743	73%	0.73	S	S	*	*				88.5	122.8	78.8	-87.5	-172.2	172.9	-176.5	0	112.3
1832	N	24.9	Very low	25.3	Very low	130 Å²	130	150.3 Å²	150.3	70%	0.695	74%	0.737	S	S	*	*			trans	56.4	136	144.8	-56.2	13.5	0	0	0	120.6
1833	T	24.2	Very low	25.1	Very low	124 Å²	124	147.9 Å²	147.9	76%	0.761	74%	0.735	S	S	*	*			trans	66.1	156.5	141.2	51	0	0	0	0	118
1834	D	24.1	Very low	25.1	Very low	141 Å²	141	150.3 Å²	150.3	75%	0.754	74%	0.741	S	S	*	*			cis	-147.6	-165.6	-5	-134.5	-47.8	0	0	0	113.8
1835	I	23.1	Very low	24.8	Very low	126 Å²	126	150.7 Å²	150.7	65%	0.646	75%	0.747	S	S	*	*			trans	-111.8	129	-163.7	-69.1	176.3	0	0	0	113.6
1836	R	23.2	Very low	24.8	Very low	232 Å²	232	144.3 Å²	144.3	88%	0.875	73%	0.729	S	S	*	*			trans	70.2	167.5	157.5	-68.6	166	-174	166.4	-1.7	120.7
1837	V	25.5	Very low	25.4	Very low	127 Å²	127	144 Å²	144	77%	0.77	74%	0.744	S	S	*	*			trans	120.7	97	140.7	-170.1	0	0	0	0	117.3
1838	V	23.3	Very low	25.3	Very low	119 Å²	119	142.6 Å²	142.6	72%	0.721	74%	0.737	S	S	*	*			trans	18.9	122.1	133.6	-173	0	0	0	0	120.4
1839	N	25.4	Very low	25.5	Very low	147 Å²	147	140.8 Å²	140.8	79%	0.786	74%	0.736	S	S	*	*			trans	22.7	112.7	146.8	-54.4	-15.4	0	0	0	120.2
1840	R	25.7	Very low	25.7	Very low	241 Å²	241	140.3 Å²	140.3	91%	0.909	74%	0.738	S	S	*	*				-169	156	99.2	-106.9	179	177.3	179	-0.2	114.5
1841	S	24.8	Very low	25.6	Very low	94 Å²	94	141.8 Å²	141.8	66%	0.657	74%	0.738	S	S	*	*			trans	0	135.3	155.9	-39.2	0	0	0	0	121.5
1842	V	23.5	Very low	25.5	Very low	139 Å²	139	140.1 Å²	140.1	84%	0.842	74%	0.736	S	S	*	*			trans	56.5	148.9	156.3	-78.4	0	0	0	0	118.7
1843	S	23.7	Very low	25.7	Very low	92 Å²	92	139.4 Å²	139.4	64%	0.643	73%	0.732	S	S	*	*			cis	-162.2	165.8	-5	37.4	0	0	0	0	111.7
1844	F	23.8	Very low	25.9	Very low	187 Å²	187	140.2 Å²	140.2	82%	0.82	73%	0.727	S	S	*	*			trans	-3.4	150.7	135	-51.3	-88.3	0	0	0	117.3
1845	T	24.4	Very low	26	Very low	121 Å²	121	140 Å²	140	74%	0.742	72%	0.724	S	S	*	*			cis	-172.3	-168.7	19.3	-2	0	0	0	0	111.8
1846	S	30.8	Very low	26.5	Very low	76 Å²	76	139.1 Å²	139.1	53%	0.531	73%	0.727	S	S	.	*			trans	88.4	155.2	144.9	-71	0	0	0	0	118.3	E1848	S1846-E1848 WeakPolarHBondContact OG-CG 3.24Å; S1846-E1848 PolarHBondContact OG-N 2.77Å
1847	P	35.3	Very low	27.2	Very low	133 Å²	133	136.4 Å²	136.4	86%	0.864	73%	0.729	S	S	*	*	S	Bend	cis	-61.9	124.4	13.4	-24.6	36.5	0	0	0	114.1
1848	E	24.5	Very low	27.5	Very low	143 Å²	143	134.2 Å²	134.2	67%	0.668	73%	0.733	S	S	*	*				82.5	105.1	58.7	-70.9	-132.1	112.7	0	0	113.3	S1846	S1846-E1848 WeakPolarHBondContact OG-CG 3.24Å; S1846-E1848 PolarHBondContact OG-N 2.77Å
1849	T	26.3	Very low	28.2	Very low	106 Å²	106	131.8 Å²	131.8	65%	0.65	73%	0.732	S	S	*	*			trans	48.3	110.7	132.8	65.7	0	0	0	0	118.7
1850	M	29.2	Very low	29.1	Very low	149 Å²	149	130.7 Å²	130.7	73%	0.734	73%	0.732	S	S	*	*				-138.1	112.5	92.6	-81.3	-130.8	175.3	0	0	107.4
1851	R	25.8	Very low	29.5	Very low	180 Å²	180	125.4 Å²	125.4	68%	0.679	73%	0.729	S	S	*	*				100.8	143	93.6	-85.4	-160.4	170	140.9	-4.2	107.8
1852	L	24.8	Very low	30	Very low	136 Å²	136	129.1 Å²	129.1	71%	0.712	74%	0.736	S	S	*	*				45.6	113.2	77.4	-68.9	145.1	0	0	0	108.4
1853	D	28.1	Very low	30.6	Very low	115 Å²	115	129.9 Å²	129.9	62%	0.615	73%	0.731	S	S	*	*			cis	-147.5	161	49.8	-94.6	-48.4	0	0	0	116.5
1854	H	29.3	Very low	31.1	Very low	141 Å²	141	132 Å²	132	65%	0.653	73%	0.734	S	S	*	*			trans	49	119.3	150	-68.9	-62.3	0	0	0	119.3
1855	I	25.1	Very low	31.3	Very low	135 Å²	135	131 Å²	131	69%	0.692	74%	0.737	S	S	*	*				59.6	118.2	57.2	-53.3	158.4	0	0	0	107.6
1856	P	33.2	Very low	31.3	Very low	109 Å²	109	130.5 Å²	130.5	71%	0.708	74%	0.737	S	S	*	*				-151	154.7	79	38.2	-18.1	0	0	0	119.3
1857	L	37.9	Very low	31.3	Very low	174 Å²	174	135.9 Å²	135.9	91%	0.911	76%	0.756	S	S	*	*			trans	56.4	87.4	137.7	-62.9	167.6	0	0	0	118.3
1858	G	32.9	Very low	31.1	Very low	82 Å²	82	135.8 Å²	135.8	85%	0.845	75%	0.753	S	S	*	*			trans	-178.6	101.4	157.6	0	0	0	0	0	109.1
1859	G	38.5	Very low	31.5	Very low	68 Å²	68	135.6 Å²	135.6	70%	0.701	76%	0.756	S	S	*	*			cis	122.5	87.2	15.1	0	0	0	0	0	108.5
1860	P	43.5	Very low	31.7	Very low	123 Å²	123	136.4 Å²	136.4	80%	0.799	76%	0.756	S	S	*	*			trans	-71.4	147.5	-175.8	31.4	-35.5	0	0	0	111.1
1861	P	33.5	Very low	31.7	Very low	131 Å²	131	137.1 Å²	137.1	85%	0.851	76%	0.758	S	S	*	*				-130.6	-163.5	93.1	39.5	-31.2	0	0	0	113.2
1862	Q	36.5	Very low	31.7	Very low	172 Å²	172	135 Å²	135	80%	0.804	76%	0.76	S	S	*	*			trans	-103.9	163.9	-161.6	-59.6	170.3	-24.1	0	0	114.5
1863	H	35.9	Very low	32	Very low	155 Å²	155	136.6 Å²	136.6	72%	0.718	77%	0.769	S	S	*	*			trans	76.5	117.7	152.4	-87	-70.4	0	0	0	122.3
1864	N	33	Very low	32.1	Very low	135 Å²	135	134.5 Å²	134.5	72%	0.722	77%	0.774	S	S	*	*			trans	102.6	133.7	130.7	-69.1	-16.4	0	0	0	122.6
1865	L	28.7	Very low	31.8	Very low	168 Å²	168	135.4 Å²	135.4	88%	0.88	78%	0.784	S	S	*	*			trans	86.5	157.6	153.9	-72.3	163.2	0	0	0	120.9
1866	C	24.6	Very low	31.8	Very low	110 Å²	110	135 Å²	135	74%	0.743	79%	0.792	S	S	*	*			trans	-95.2	156.3	-151	-52.5	0	0	0	0	114.5
1867	M	31	Very low	31.4	Very low	189 Å²	189	138.1 Å²	138.1	93%	0.931	80%	0.802	S	S	*	*				-170.9	163.4	128.2	-99.2	-57.3	-178.8	0	0	110.1
1868	V	31	Very low	31.1	Very low	130 Å²	130	134.7 Å²	134.7	79%	0.788	79%	0.792	S	S	*	*			trans	-136.3	134.2	-165.9	-179	0	0	0	0	113.3
1869	N	33.3	Very low	31.2	Very low	139 Å²	139	138.4 Å²	138.4	74%	0.743	79%	0.793	S	S	*	*			trans	-123.5	147.8	171.1	-86.7	-46.9	0	0	0	109.3
1870	N	29.3	Very low	30.9	Very low	123 Å²	123	141 Å²	141	66%	0.658	80%	0.795	S	S	*	*				62.3	138.3	61.7	-74.3	-31.6	0	0	0	113.2
1871	H	29.3	Very low	30.2	Very low	164 Å²	164	140 Å²	140	76%	0.759	79%	0.79	S	S	*	*			cis	-151.8	-175.6	13.4	-123.1	-21	0	0	0	113.7
1872	N	25.8	Very low	30.3	Very low	135 Å²	135	142 Å²	142	72%	0.722	79%	0.789	S	S	*	*			trans	-69.9	157	167.7	-63.6	-44.7	0	0	0	111.9
1873	N	31.2	Very low	29.9	Very low	171 Å²	171	143.7 Å²	143.7	91%	0.914	79%	0.789	S	S	*	*			trans	166.8	155.6	133.5	-83	-21.6	0	0	0	109.7
1874	G	29.8	Very low	29.6	Very low	70 Å²	70	146.3 Å²	146.3	72%	0.722	79%	0.793	S	S	*	*			cis	-174.1	156.1	-5.5	0	0	0	0	0	113.6
1875	N	24	Very low	29.5	Very low	160 Å²	160	145.7 Å²	145.7	86%	0.856	79%	0.789	S	S	*	*			trans	-18.6	165.1	166.5	-77.9	-15	0	0	0	122.8
1876	C	24.2	Very low	30	Very low	127 Å²	127	143.1 Å²	143.1	86%	0.858	78%	0.782	S	S	*	*			trans	102.8	138.3	143.8	-77.7	0	0	0	0	120
1877	L	26.6	Very low	30.3	Very low	175 Å²	175	148.2 Å²	148.2	92%	0.916	79%	0.786	S	S	*	*			trans	-76.8	152.3	168.7	-68	155.8	0	0	0	110.7
1878	S	31.4	Very low	30.3	Very low	102 Å²	102	142.7 Å²	142.7	71%	0.713	77%	0.766	S	S	*	*			trans	-151	129.9	151.7	52.4	0	0	0	0	111.5
1879	N	33.7	Very low	30.2	Very low	160 Å²	160	146.4 Å²	146.4	86%	0.856	77%	0.767	S	S	*	*				-167.2	165.1	121.7	-94.1	-26.1	0	0	0	110.1
1880	V	31.8	Very low	29.9	Very low	123 Å²	123	143.7 Å²	143.7	75%	0.745	76%	0.764	S	S	*	*			trans	-119.9	141.1	-135.1	171.3	0	0	0	0	115.3
1881	S	30.2	Very low	29.7	Very low	100 Å²	100	147.1 Å²	147.1	70%	0.699	77%	0.769	S	S	*	*			trans	76.5	155.8	160.8	75.2	0	0	0	0	119.9
1882	Q	35.2	Very low	29.6	Very low	175 Å²	175	148.5 Å²	148.5	82%	0.818	77%	0.769	S	S	*	*			trans	79.9	142.7	172.8	-52.4	-167.4	8.2	0	0	119.5
1883	Y	27.8	Very low	30.1	Very low	207 Å²	207	147.5 Å²	147.5	81%	0.812	77%	0.77	S	S	*	*			trans	20.1	110.5	168.5	-73.4	-82.2	0	0	0	125.5
1884	R	28.9	Very low	29.8	Very low	209 Å²	209	143.6 Å²	143.6	79%	0.789	76%	0.761	S	S	*	*				56.1	112.9	129.2	-76.8	-171.6	171.7	-173.6	-1.2	123.7
1885	L	32.4	Very low	29.7	Very low	122 Å²	122	145 Å²	145	64%	0.639	76%	0.76	S	S	*	*				70.5	161.4	125.8	-64.3	173.1	0	0	0	121	R1887	L1885-R1887 HydrophobicContact CD2-CG 4.33Å
1886	P	38.9	Very low	29.8	Very low	115 Å²	115	145.7 Å²	145.7	75%	0.747	76%	0.758	S	S	*	*			cis	-113.4	155.8	-20.2	39.1	-27.4	0	0	0	111.7
1887	R	31.1	Very low	30	Very low	217 Å²	217	150.5 Å²	150.5	82%	0.819	76%	0.759	S	S	*	*			cis	69.5	138	43.7	-75	-165.6	175.5	-177.2	-1.5	115.1	L1885	L1885-R1887 HydrophobicContact CD2-CG 4.33Å
1888	S	30.1	Very low	30.1	Very low	72 Å²	72	147 Å²	147	50%	0.503	75%	0.749	S	S	.	*			cis	-165	173.4	-14.8	39.9	0	0	0	0	107.2
1889	Y	28.8	Very low	29.9	Very low	208 Å²	208	148 Å²	148	82%	0.816	76%	0.757	S	S	*	*			cis	-143.8	166.9	24.4	-64.4	-98.8	0	0	0	108.4
1890	A	27.1	Very low	29.5	Very low	82 Å²	82	148.3 Å²	148.3	68%	0.678	76%	0.757	S	S	*	*			cis	74.6	110.9	33	0	0	0	0	0	114.4
1891	Y	25.9	Very low	29.2	Very low	196 Å²	196	146.8 Å²	146.8	77%	0.769	76%	0.758	S	S	*	*			cis	83.6	137.7	3.5	-124.4	-60.4	0	0	0	118.2
1892	Y	25.9	Very low	29	Very low	192 Å²	192	146.7 Å²	146.7	75%	0.753	76%	0.763	S	S	*	*			trans	74.7	168.9	168.7	-68.8	-69.8	0	0	0	118.3
1893	P	37.6	Very low	28.5	Very low	114 Å²	114	143.4 Å²	143.4	74%	0.74	77%	0.766	S	S	*	*			cis	-113.4	176.8	-8.1	6.8	20.1	0	0	0	113.7
1894	A	25.2	Very low	28.3	Very low	89 Å²	89	138.4 Å²	138.4	74%	0.736	77%	0.767	S	S	*	*				66.2	143.6	55.3	0	0	0	0	0	114.3
1895	S	26.9	Very low	28.2	Very low	100 Å²	100	132.6 Å²	132.6	70%	0.699	76%	0.764	S	S	*	*			cis	-172.3	162.4	-5.7	43.3	0	0	0	0	111.8
1896	H	26.9	Very low	27.9	Very low	174 Å²	174	132.7 Å²	132.7	81%	0.806	76%	0.764	S	S	*	*			trans	40	120.6	160.9	-73.4	-83.5	0	0	0	121.3
1897	Y	28.6	Very low	27.6	Very low	228 Å²	228	135 Å²	135	89%	0.894	77%	0.765	S	S	*	*				-177.6	177.4	106.6	-116	-89.7	0	0	0	111.8
1898	S	27	Very low	27.7	Very low	101 Å²	101	129.2 Å²	129.2	71%	0.706	75%	0.75	S	S	*	*			trans	-136.7	128	-175.9	57.3	0	0	0	0	113.5
1899	S	27.4	Very low	28.1	Very low	124 Å²	124	131.7 Å²	131.7	87%	0.867	76%	0.764	S	S	*	*			trans	-173.5	-174.3	149.9	57.7	0	0	0	0	110.9
1900	L	26.7	Very low	27.9	Very low	166 Å²	166	127 Å²	127	87%	0.869	75%	0.752	S	S	*	*			trans	-89.6	153.5	-162.4	-94.8	67.2	0	0	0	115.8
1901	A	25.4	Very low	27.8	Very low	91 Å²	91	130 Å²	130	75%	0.752	75%	0.746	S	S	*	*			trans	71.2	118.2	141.3	0	0	0	0	0	122.3
1902	A	24.7	Very low	27.7	Very low	99 Å²	99	129.1 Å²	129.1	82%	0.818	75%	0.746	S	S	*	*			trans	82.1	152.2	130.6	0	0	0	0	0	122.2
1903	A	25.2	Very low	27.9	Very low	106 Å²	106	122.8 Å²	122.8	88%	0.876	74%	0.74	S	S	*	*			trans	67.5	124.7	160.8	0	0	0	0	0	120.3
1904	A	24	Very low	28.7	Very low	101 Å²	101	126.5 Å²	126.5	84%	0.835	75%	0.75	S	S	*	*			trans	-72.2	164.3	-175.5	0	0	0	0	0	116.6
1905	A	26.2	Very low	29.3	Very low	87 Å²	87	127.3 Å²	127.3	72%	0.719	75%	0.748	S	S	*	*				-176.7	119.6	116.5	0	0	0	0	0	115.8
1906	I	27.4	Very low	29.6	Very low	125 Å²	125	132 Å²	132	64%	0.641	76%	0.756	S	S	*	*			trans	49.9	141.2	133.1	-39.1	176.4	0	0	0	121.6
1907	Q	31.7	Very low	29.7	Very low	163 Å²	163	128 Å²	128	76%	0.762	75%	0.752	S	S	*	*			trans	100.9	141.8	163.1	-57.6	-159.9	20	0	0	116.2
1908	N	32.5	Very low	29.6	Very low	96 Å²	96	123.2 Å²	123.2	51%	0.513	74%	0.743	S	S	.	*	S	Bend	cis	-160.1	161.7	-15.1	-93.7	-9.4	0	0	0	107.9	I1910	N1908-I1910 WeakPolarHBondContact OD1-CD1 3.32Å; N1908-I1910 WeakPolarHBondContact OD1-CG1 3.36Å
1909	P	38.3	Very low	29.7	Very low	123 Å²	123	124.2 Å²	124.2	80%	0.799	74%	0.74	S	S	*	*	S	Bend	cis	-91.6	144.8	-11.5	36.6	-32.1	0	0	0	111.4
1910	I	25.3	Very low	29.5	Very low	111 Å²	111	124.2 Å²	124.2	57%	0.569	73%	0.73	S	S	*	*			cis	81.4	117.7	45.4	-70.3	-165.6	0	0	0	113.8	N1908	N1908-I1910 WeakPolarHBondContact OD1-CD1 3.32Å; N1908-I1910 WeakPolarHBondContact OD1-CG1 3.36Å
1911	R	24.3	Very low	29.7	Very low	144 Å²	144	122.3 Å²	122.3	54%	0.543	72%	0.721	S	S	.	*			cis	-173.4	147.1	-19.3	-125	173.2	-175.7	-176.6	-3.2	110.3
1912	F	25.1	Very low	29.8	Very low	177 Å²	177	124.3 Å²	124.3	78%	0.776	72%	0.719	S	S	*	*			trans	55.6	162.2	150.6	-62.2	-42.1	0	0	0	119.5
1913	G	29.6	Very low	30	Very low	60 Å²	60	125.3 Å²	125.3	62%	0.619	71%	0.71	S	S	*	*			cis	-89.3	-141.1	-13.5	0	0	0	0	0	112.2
1914	M	53.6	Low	30.1	Very low	192 Å²	192	126.1 Å²	126.1	95%	0.946	70%	0.7	S	S	*	*	S	Bend	trans	69.1	133.7	171.7	-57.9	-173.8	178.7	0	0	115.6
1915	P	38.2	Very low	30.4	Very low	106 Å²	106	127.8 Å²	127.8	69%	0.688	70%	0.695	S	S	*	*				-139.5	149.3	-112	39.8	-22.8	0	0	0	117
1916	F	34.4	Very low	30.7	Very low	198 Å²	198	129.6 Å²	129.6	87%	0.868	69%	0.693	S	S	*	*			trans	59.2	116.3	170.9	-59.9	-74.4	0	0	0	116.3
1917	A	29	Very low	30.9	Very low	89 Å²	89	129.2 Å²	129.2	74%	0.736	69%	0.692	S	S	*	*				74.1	147.9	58.7	0	0	0	0	0	113.2
1918	N	26.6	Very low	30.7	Very low	129 Å²	129	126.8 Å²	126.8	69%	0.69	68%	0.684	S	S	*	*			cis	-175.1	162.5	-18.3	176.9	30	0	0	0	106.6
1919	N	28.5	Very low	30.6	Very low	122 Å²	122	126.3 Å²	126.3	65%	0.652	69%	0.688	S	S	*	*			trans	62.1	169.9	160.1	-84.4	-13.1	0	0	0	117.2
1920	N	23.6	Very low	30.4	Very low	124 Å²	124	127.4 Å²	127.4	66%	0.663	69%	0.686	S	S	*	*				-168.8	176.1	-50.6	-131.2	-41	0	0	0	106.8
1921	N	30.3	Very low	30.6	Very low	125 Å²	125	131.1 Å²	131.1	67%	0.668	70%	0.701	S	S	*	*			trans	68.9	111.9	165.4	-59	-19.6	0	0	0	114.9
1922	N	27.1	Very low	30.9	Very low	133 Å²	133	133.1 Å²	133.1	71%	0.711	71%	0.709	S	S	*	*				77	126.1	71.9	-66	-3.1	0	0	0	111.1
1923	N	28.8	Very low	31.2	Very low	120 Å²	120	130 Å²	130	64%	0.642	70%	0.7	S	S	*	*			cis	-148.6	153	14.5	-114.1	19.8	0	0	0	114.5
1924	D	26.9	Very low	31.5	Very low	123 Å²	123	132.7 Å²	132.7	66%	0.658	70%	0.696	S	S	*	*			trans	65.7	150	140	-62.5	-34.6	0	0	0	124.8
1925	N	31.2	Very low	30.5	Very low	137 Å²	137	131.9 Å²	131.9	73%	0.733	68%	0.684	S	S	*	*			trans	72.1	77.8	147.7	-70.7	-38.5	0	0	0	121.5
1926	N	31.6	Very low	29.9	Very low	125 Å²	125	133.1 Å²	133.1	67%	0.668	68%	0.68	S	S	*	*				47	92.3	117.3	-86.1	-54.7	0	0	0	119.8
1927	N	31.4	Very low	29.8	Very low	116 Å²	116	131.4 Å²	131.4	62%	0.62	68%	0.675	S	S	*	*				43.1	107.7	121.6	-64.5	-59.2	0	0	0	118.7	N1107	N1107-N1927 WeakPolarHBondContact CB-O 3.35Å; N1107-N1927 WeakPolarHBondContact ND2-CB 3Å; N1107-N1927 PolarHBondContact ND2-O 2.94Å
1928	N	28.1	Very low	29.8	Very low	113 Å²	113	133.2 Å²	133.2	60%	0.604	67%	0.668	S	S	*	*			trans	-150.3	145.8	139.3	-163.6	18.3	0	0	0	110.8	N1107	N1107-N1928 HydrophobicContact CB-CB 4.37Å; N1107-N1928 PolarHBondContact N-OD1 3.02Å
1929	S	30	Very low	29.9	Very low	86 Å²	86	136.2 Å²	136.2	60%	0.601	67%	0.671	S	S	*	*			trans	49.8	137.2	161.4	60.1	0	0	0	0	119.7
1930	L	34.9	Very low	30	Very low	145 Å²	145	136.8 Å²	136.8	76%	0.759	67%	0.669	S	S	*	*			trans	-157.3	119.2	134.6	-113.7	171.9	0	0	0	110.7	R1932	L1930-R1932 HydrophobicContact CD2-CB 4.06Å; L1930-R1932 HydrophobicContact CD2-CG 3.58Å
1931	H	28.4	Very low	30.3	Very low	190 Å²	190	138 Å²	138	88%	0.88	67%	0.671	S	S	*	*			trans	-120.2	141.9	146.1	-129.5	-62.6	0	0	0	106.2
1932	R	32.4	Very low	30.1	Very low	186 Å²	186	137.5 Å²	137.5	70%	0.702	67%	0.668	S	S	*	*			trans	-153.5	154.3	180	-102.6	-159.6	171.3	-174.8	-0.3	106.8	L1930	L1930-R1932 HydrophobicContact CD2-CB 4.06Å; L1930-R1932 HydrophobicContact CD2-CG 3.58Å
1933	N	31.6	Very low	30.3	Very low	111 Å²	111	138.5 Å²	138.5	59%	0.594	67%	0.668	S	S	*	*			cis	-170.9	-162.7	-18.9	-128.3	26.5	0	0	0	107.8
1934	H	34.8	Very low	30.2	Very low	116 Å²	116	136.9 Å²	136.9	54%	0.537	67%	0.666	S	S	.	*			trans	88.4	146.5	148.4	-58.7	-62	0	0	0	116.6
1935	Y	32	Very low	30.3	Very low	175 Å²	175	137.8 Å²	137.8	69%	0.686	67%	0.67	S	S	*	*			cis	-164.9	168.8	-5.9	-116.1	-24.4	0	0	0	109.6
1936	H	27.3	Very low	30.2	Very low	132 Å²	132	138.6 Å²	138.6	61%	0.611	67%	0.669	S	S	*	*			cis	-154.5	-146.9	-12.1	-157.7	-14.4	0	0	0	109.3
1937	H	30.6	Very low	30	Very low	162 Å²	162	138.3 Å²	138.3	75%	0.75	67%	0.668	S	S	*	*			trans	66	152.6	176.5	-71.3	-87.6	0	0	0	117.4
1938	H	29	Very low	30	Very low	128 Å²	128	139.1 Å²	139.1	59%	0.593	67%	0.672	S	S	*	*			cis	-168.8	159.4	-36.8	-140.7	-95.7	0	0	0	108.7
1939	Y	29.7	Very low	30.2	Very low	192 Å²	192	139 Å²	139	75%	0.753	68%	0.68	S	S	*	*			trans	64.9	155.7	176.9	-63.7	-88.3	0	0	0	116.9
1940	H	30.1	Very low	30.4	Very low	133 Å²	133	142.7 Å²	142.7	62%	0.616	69%	0.691	S	S	*	*			cis	-164.9	172.6	-42.9	-126	-86.7	0	0	0	108.7
1941	H	29.9	Very low	30.2	Very low	151 Å²	151	138.7 Å²	138.7	70%	0.699	69%	0.686	S	S	*	*			trans	15.6	153.4	149.2	-72.3	-30.6	0	0	0	122.8
1942	D	26.9	Very low	30.4	Very low	113 Å²	113	140 Å²	140	60%	0.604	69%	0.689	S	S	*	*			cis	-176.2	-174.8	-25.4	-133.6	-55.1	0	0	0	109.1
1943	H	30.2	Very low	30	Very low	155 Å²	155	136.1 Å²	136.1	72%	0.718	69%	0.69	S	S	*	*			trans	49.7	107.7	156.6	-70.7	-60.9	0	0	0	119.1
1944	S	26.7	Very low	29.8	Very low	85 Å²	85	134.9 Å²	134.9	59%	0.594	69%	0.69	S	S	*	*				76.8	119.4	60.2	79.1	0	0	0	0	116
1945	L	29.3	Very low	29.5	Very low	142 Å²	142	136.4 Å²	136.4	74%	0.743	70%	0.702	S	S	*	*				166.2	138.3	121.4	-88.9	165.3	0	0	0	111.4
1946	Q	28.6	Very low	29.2	Very low	155 Å²	155	133.1 Å²	133.1	72%	0.724	71%	0.705	S	S	*	*			trans	63.4	148.1	146.3	-64.6	179.1	-85.6	0	0	119.3
1947	D	28.3	Very low	29	Very low	118 Å²	118	132.9 Å²	132.9	63%	0.631	72%	0.716	S	S	*	*			cis	-154.9	178	-8.6	-126.1	-38.1	0	0	0	112.5
1948	N	32.3	Very low	28.8	Very low	133 Å²	133	128.4 Å²	128.4	71%	0.711	72%	0.715	S	S	*	*			trans	72.2	101	158.1	-67.9	-41.1	0	0	0	121.6
1949	S	31.8	Very low	28.8	Very low	110 Å²	110	129.7 Å²	129.7	77%	0.769	73%	0.725	S	S	*	*				81.7	145.1	119.9	87.8	0	0	0	0	118.7
1950	I	33.5	Very low	28.7	Very low	164 Å²	164	126.7 Å²	126.7	84%	0.841	72%	0.722	S	S	*	*			cis	-137.3	149	1.7	-64.9	175.9	0	0	0	109.8
1951	G	31.7	Very low	28.5	Very low	62 Å²	62	127.3 Å²	127.3	64%	0.639	73%	0.73	S	S	*	*			trans	82.8	75.2	153.8	0	0	0	0	0	116.4
1952	K	30.9	Very low	28.4	Very low	217 Å²	217	126 Å²	126	94%	0.943	73%	0.733	S	S	*	*				68.8	138.2	81.6	-71.9	-164.3	172.4	-175	0	116.3
1953	S	25.3	Very low	28.6	Very low	105 Å²	105	126 Å²	126	73%	0.734	74%	0.739	S	S	*	*			trans	-117.2	-174.7	-174.2	56.5	0	0	0	0	112.3
1954	S	27.9	Very low	28.5	Very low	85 Å²	85	125.8 Å²	125.8	59%	0.594	74%	0.738	S	S	*	*			trans	67.9	113.1	143.9	50.3	0	0	0	0	120
1955	D	27	Very low	28.5	Very low	147 Å²	147	128.5 Å²	128.5	79%	0.786	74%	0.741	S	S	*	*				83.4	104.3	122.9	-54.9	-16.6	0	0	0	122.1
1956	S	26	Very low	28.2	Very low	106 Å²	106	128.9 Å²	128.9	74%	0.741	74%	0.739	S	S	*	*				94.1	154.6	122.3	81.3	0	0	0	0	120.8
1957	C	23.2	Very low	28	Very low	127 Å²	127	129.1 Å²	129.1	86%	0.858	74%	0.74	S	S	*	*			trans	73.4	152.6	166.9	-52.6	0	0	0	0	117.1
1958	G	27.3	Very low	27.9	Very low	69 Å²	69	128.7 Å²	128.7	71%	0.711	75%	0.747	S	S	*	*			trans	88.2	110.6	-169.2	0	0	0	0	0	111.1
1959	L	28	Very low	27.6	Very low	154 Å²	154	132.5 Å²	132.5	81%	0.806	75%	0.751	S	S	*	*				81	128.2	52.6	-68.9	170.7	0	0	0	114
1960	D	27.1	Very low	27.3	Very low	129 Å²	129	135 Å²	135	69%	0.69	75%	0.748	S	S	*	*			trans	66.7	128.8	146.8	-48.9	-20.7	0	0	0	121.8
1961	D	27.5	Very low	26.8	Very low	147 Å²	147	136.2 Å²	136.2	79%	0.786	74%	0.744	S	S	*	*			trans	59.9	118.6	140.5	-62.3	-12.9	0	0	0	123
1962	T	27.8	Very low	26.6	Very low	124 Å²	124	140.8 Å²	140.8	76%	0.761	75%	0.748	S	S	*	*			trans	-45.3	137.6	152.9	49.8	0	0	0	0	113.4
1963	P	29.5	Very low	26.2	Very low	112 Å²	112	134.9 Å²	134.9	73%	0.727	73%	0.734	S	S	*	*				-88.8	133.9	110.9	-26.4	37.9	0	0	0	110.3
1964	Q	28.1	Very low	26.2	Very low	150 Å²	150	134.3 Å²	134.3	70%	0.701	73%	0.73	S	S	*	*				55.9	105.4	77.6	-63.9	-174.9	-9.8	0	0	111.9
1965	Q	27.3	Very low	26.3	Very low	142 Å²	142	135.2 Å²	135.2	66%	0.664	74%	0.736	S	S	*	*				88.8	119.6	103.4	-76.5	170.7	-15.3	0	0	111.5
1966	Q	22.9	Very low	26.2	Very low	151 Å²	151	136.8 Å²	136.8	71%	0.706	74%	0.737	S	S	*	*				62.3	144.3	70.2	-69.2	-169.1	-0.7	0	0	113.2
1967	Q	24.3	Very low	26.3	Very low	160 Å²	160	137.3 Å²	137.3	75%	0.748	73%	0.731	S	S	*	*			trans	61.6	105.4	167.1	-58.2	162.7	62.2	0	0	112.4
1968	S	27	Very low	26.8	Very low	109 Å²	109	137.9 Å²	137.9	76%	0.762	73%	0.725	S	S	*	*				173.4	161	66.8	41.8	0	0	0	0	108.5
1969	R	24.9	Very low	27	Very low	213 Å²	213	140.1 Å²	140.1	80%	0.804	72%	0.721	S	S	*	*			cis	-162.4	160.7	-11.3	-112.4	-175.8	-170.4	171.2	3.8	105.7
1970	F	26.4	Very low	27.1	Very low	163 Å²	163	137.1 Å²	137.1	72%	0.715	71%	0.713	S	S	*	*			trans	56	106.7	142.4	-79.8	-124.2	0	0	0	117.7
1971	Y	23.2	Very low	27.3	Very low	189 Å²	189	139.3 Å²	139.3	74%	0.741	72%	0.719	S	S	*	*				94.1	163.1	94.6	-109	-92.6	0	0	0	112.1
1972	H	26.3	Very low	27.4	Very low	158 Å²	158	137.6 Å²	137.6	73%	0.731	72%	0.718	S	S	*	*			trans	62.5	103	169.2	-83.6	-78.1	0	0	0	119
1973	S	24.2	Very low	27.3	Very low	93 Å²	93	138.5 Å²	138.5	65%	0.65	72%	0.718	S	S	*	*				77	133.7	119.1	69.5	0	0	0	0	121
1974	S	24.5	Very low	27.2	Very low	92 Å²	92	139.7 Å²	139.7	64%	0.643	72%	0.719	S	S	*	*			trans	26.8	119.2	140.9	59.3	0	0	0	0	119.9
1975	S	28.9	Very low	27.1	Very low	105 Å²	105	138.8 Å²	138.8	73%	0.734	72%	0.718	S	S	*	*				-154.6	142.1	103.7	-79.7	0	0	0	0	108.5
1976	F	25.4	Very low	27.2	Very low	180 Å²	180	137 Å²	137	79%	0.789	71%	0.713	S	S	*	*				52.9	130.1	68.4	-73.1	-83.1	0	0	0	112
1977	D	27.9	Very low	27.5	Very low	117 Å²	117	133.1 Å²	133.1	63%	0.626	70%	0.698	S	S	*	*			cis	-158.5	-164.5	-23.1	-142.6	-13.8	0	0	0	105.8
1978	L	34	Very low	27.7	Very low	138 Å²	138	130.2 Å²	130.2	72%	0.723	69%	0.687	S	S	*	*			cis	-141	168.8	12.4	-66.1	164.8	0	0	0	106.1
1979	N	31.1	Very low	27.8	Very low	117 Å²	117	130.2 Å²	130.2	63%	0.626	68%	0.679	S	S	*	*	S	Bend	cis	-161.2	153.2	-9.9	-115.7	-26.8	0	0	0	104.8
1980	S	31.4	Very low	28	Very low	91 Å²	91	126.3 Å²	126.3	64%	0.636	67%	0.673	S	S	*	*			cis	-152.2	142.7	-2.2	50	0	0	0	0	110.4
1981	Q	29.9	Very low	28.1	Very low	175 Å²	175	125 Å²	125	82%	0.818	67%	0.674	S	S	*	*			trans	46.4	142	130.9	-60.6	-176.8	12.9	0	0	121.7
1982	S	29.4	Very low	28.4	Very low	110 Å²	110	122.7 Å²	122.7	77%	0.769	67%	0.674	S	S	*	*			cis	-163.5	-177.5	-9.6	56.8	0	0	0	0	111.1
1983	N	27.3	Very low	28.5	Very low	144 Å²	144	119.7 Å²	119.7	77%	0.77	66%	0.664	S	S	*	*			trans	-90.8	160.3	-168.5	-72.1	-45.9	0	0	0	115.3
1984	N	27.4	Very low	28.7	Very low	137 Å²	137	118.2 Å²	118.2	73%	0.733	65%	0.654	S	S	*	*			trans	84.4	145.3	133.3	-84.5	-8.2	0	0	0	123.2
1985	N	26.3	Very low	29	Very low	130 Å²	130	121.8 Å²	121.8	70%	0.695	67%	0.665	S	S	*	*			trans	92.2	133.3	141.2	-73.5	-2.1	0	0	0	122.8
1986	N	28.6	Very low	29.1	Very low	104 Å²	104	120 Å²	120	56%	0.556	66%	0.663	S	S	*	*			trans	76.1	109.3	142.4	-64.3	2.1	0	0	0	122	N2022	N1986-N2022 PolarHBondContact O-ND2 3.28Å
1987	N	28.9	Very low	29.2	Very low	71 Å²	71	118.8 Å²	118.8	38%	0.38	67%	0.665	S	S	.	*				72.8	117.1	127.5	-58.7	-12.3	0	0	0	120	N2022	N1987-N2022 HydrophobicContact CB-CB 3.96Å; N1987-N2022 WeakPolarHBondContact CB-O 3.33Å; N1987-N2022 PolarHBondContact ND2-O 3.35Å; N1987-N2022 WeakPolarHBondContact O-CB 2.97Å; N1987-N2022 PolarHBondContact O-ND2 3.05Å
1988	N	28.9	Very low	29.4	Very low	98 Å²	98	120.6 Å²	120.6	52%	0.524	68%	0.675	S	S	.	*				68.7	147	120.4	-59.9	0.1	0	0	0	123.7	V2023	N1988-V2023 WeakPolarHBondContact CB-OXT 3.43Å; N1988-V2023 PolarHBondContact ND2-OXT 3.49Å
1989	N	29	Very low	29.4	Very low	110 Å²	110	118.4 Å²	118.4	59%	0.588	67%	0.671	S	S	*	*			trans	61.9	108.9	141.6	-71	-31.1	0	0	0	121.5	V2023	N1989-V2023 PolarHBondContact ND2-OXT 3.21Å
1990	N	28.7	Very low	29.3	Very low	130 Å²	130	120.5 Å²	120.5	70%	0.695	68%	0.681	S	S	*	*				56.9	120.3	128	-59.4	-23.3	0	0	0	121.4
1991	N	28.5	Very low	29.2	Very low	136 Å²	136	121.3 Å²	121.3	73%	0.727	69%	0.687	S	S	*	*			trans	71.4	107.3	136.5	-61.8	-2.3	0	0	0	120.3
1992	N	29	Very low	29.1	Very low	140 Å²	140	120.9 Å²	120.9	75%	0.749	69%	0.688	S	S	*	*				92.2	134.5	126.1	-63.7	2.9	0	0	0	121.3
1993	N	28.8	Very low	29	Very low	96 Å²	96	120.4 Å²	120.4	51%	0.513	69%	0.685	S	S	.	*			trans	85.9	133.7	148.6	-73.6	25.9	0	0	0	122.5	N2014	N1993-N2014 PolarHBondContact ND2-OD1 3.41Å
1994	S	29.1	Very low	29	Very low	62 Å²	62	118.6 Å²	118.6	43%	0.434	68%	0.683	S	S	.	*			trans	54	104.4	144.9	57.3	0	0	0	0	119.9
1995	N	31.1	Very low	29	Very low	166 Å²	166	118.6 Å²	118.6	89%	0.888	68%	0.683	S	S	*	*				-149.1	162.3	80	-78.6	-27.1	0	0	0	107.7
1996	G	31.3	Very low	29	Very low	67 Å²	67	119 Å²	119	69%	0.691	69%	0.686	S	S	*	*			cis	147.4	126.9	7.6	0	0	0	0	0	106.1
1997	D	27.5	Very low	28.9	Very low	156 Å²	156	121.7 Å²	121.7	83%	0.834	70%	0.7	S	S	*	*			trans	-62	146.1	-159.4	-66.3	-85.5	0	0	0	116
1998	N	32.3	Very low	28.8	Very low	155 Å²	155	123.4 Å²	123.4	83%	0.829	72%	0.717	S	S	*	*				-163.2	157.3	116.1	-110.5	-66.5	0	0	0	116.1
1999	S	32.6	Very low	29	Very low	92 Å²	92	126 Å²	126	64%	0.643	74%	0.737	S	S	*	*			trans	58.2	101.8	163.9	61.3	0	0	0	0	120.5
2000	I	28.5	Very low	28.9	Very low	161 Å²	161	124.7 Å²	124.7	83%	0.826	74%	0.736	S	S	*	*				48.2	97.5	117.8	-54.3	154.8	0	0	0	116.9
2001	S	29.9	Very low	29	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	74%	0.744	S	S	*	*				168.5	139.5	105.1	50.8	0	0	0	0	115.3	S2003	S2001-S2003 PolarHBondContact O-N 2.84Å
2002	I	27.2	Very low	28.9	Very low	166 Å²	166	124.6 Å²	124.6	85%	0.851	73%	0.734	S	S	*	*			trans	0.6	96.2	153	-44.2	174.9	0	0	0	117.1
2003	S	27.4	Very low	28.9	Very low	100 Å²	100	123.8 Å²	123.8	70%	0.699	73%	0.73	S	S	*	*				173.2	141.8	117.8	52.3	0	0	0	0	115.9	S2001	S2001-S2003 PolarHBondContact O-N 2.84Å
2004	S	28.2	Very low	28.9	Very low	105 Å²	105	122.1 Å²	122.1	73%	0.734	72%	0.721	S	S	*	*			trans	69.5	152.3	158.9	80.2	0	0	0	0	120.4
2005	N	27.5	Very low	29	Very low	137 Å²	137	129.3 Å²	129.3	73%	0.733	74%	0.74	S	S	*	*			trans	56.7	106.4	161.7	-67	-17.7	0	0	0	122
2006	N	27.1	Very low	29	Very low	140 Å²	140	127 Å²	127	75%	0.749	73%	0.728	S	S	*	*			trans	70.1	143.2	134.3	-63.9	-19.6	0	0	0	122.1
2007	N	26.2	Very low	29	Very low	160 Å²	160	129.7 Å²	129.7	86%	0.856	72%	0.723	S	S	*	*			trans	67.1	105.5	160.5	-61	-9.1	0	0	0	118.5
2008	S	26.1	Very low	29.1	Very low	106 Å²	106	132.6 Å²	132.6	74%	0.741	72%	0.722	S	S	*	*			trans	-134.5	108.3	145.9	53.7	0	0	0	0	110.7
2009	T	32.6	Very low	29.1	Very low	152 Å²	152	129.4 Å²	129.4	93%	0.933	72%	0.717	S	S	*	*			trans	-142.2	78	147.7	49.7	0	0	0	0	105.1
2010	S	27.5	Very low	29.1	Very low	83 Å²	83	133.1 Å²	133.1	58%	0.58	72%	0.724	S	S	*	*			trans	-158.7	132.9	-165.6	49.8	0	0	0	0	109.9
2011	L	29.9	Very low	29.2	Very low	166 Å²	166	130.6 Å²	130.6	87%	0.869	72%	0.717	S	S	*	*			trans	-148.4	144.8	134.9	-106.4	164.8	0	0	0	106.5
2012	L	27.5	Very low	29.4	Very low	98 Å²	98	129.7 Å²	129.7	51%	0.513	70%	0.703	S	S	.	*			trans	-94.8	-161.6	176.2	-69.2	81.3	0	0	0	106.7	N2014	L2012-N2014 WeakPolarHBondContact CD2-ND2 3.2Å
2013	D	29.2	Very low	29.7	Very low	124 Å²	124	128.3 Å²	128.3	66%	0.663	70%	0.702	S	S	*	*			cis	-152.1	133.7	31.6	-83.6	-73.6	0	0	0	108.4
2014	N	29.4	Very low	29.8	Very low	60 Å²	60	129.7 Å²	129.7	32%	0.321	70%	0.702	S	S	.	*				72.3	134.8	74.2	-71.5	-42.9	0	0	0	114.4	N1993 L2012	N1993-N2014 PolarHBondContact ND2-OD1 3.41Å; L2012-N2014 WeakPolarHBondContact CD2-ND2 3.2Å
2015	Y	30.5	Very low	29.8	Very low	213 Å²	213	131 Å²	131	84%	0.835	70%	0.7	S	S	*	*			trans	-164.5	135.3	130.4	-120.5	-81.6	0	0	0	111.2
2016	D	31.2	Very low	30	Very low	118 Å²	118	130.7 Å²	130.7	63%	0.631	70%	0.699	S	S	*	*			trans	54.3	145.4	156.7	-81.8	4.9	0	0	0	123.4
2017	Q	30.1	Very low	30.1	Very low	124 Å²	124	130.1 Å²	130.1	58%	0.579	70%	0.696	S	S	*	*			cis	-163.3	158.9	-24.5	-136.6	-176.9	90	0	0	111.5
2018	R	30.7	Very low	30.4	Very low	216 Å²	216	128.3 Å²	128.3	82%	0.815	69%	0.686	S	S	*	*			trans	65.5	117.5	157.1	-64.8	-178.9	-174.9	-160.5	-3.9	121.6
2019	A	31.7	Very low	30.7	Very low	88 Å²	88	129.7 Å²	129.7	73%	0.727	68%	0.682	S	S	*	*			trans	71	146.5	130.7	0	0	0	0	0	120
2020	Q	32.2	Very low	30.5	Very low	170 Å²	170	128.1 Å²	128.1	79%	0.794	66%	0.664	S	S	*	*			cis	-158.3	148.4	-14.4	-119.6	176.3	-10.8	0	0	110.8
2021	T	32	Very low	30.8	Very low	109 Å²	109	131.6 Å²	131.6	67%	0.669	67%	0.671	S	S	*	*			trans	52.7	99.5	152.8	55.4	0	0	0	0	121.7
2022	N	34.1	Very low	30.9	Very low	89 Å²	89	128.8 Å²	128.8	48%	0.476	65%	0.654	S	S	.	*				68.3	65.5	110.2	-64.3	27.3	0	0	0	121.3	N1986 N1987	N1986-N2022 PolarHBondContact O-ND2 3.28Å; N1987-N2022 HydrophobicContact CB-CB 3.96Å; N1987-N2022 WeakPolarHBondContact CB-O 3.33Å; N1987-N2022 PolarHBondContact ND2-O 3.35Å; N1987-N2022 WeakPolarHBondContact O-CB 2.97Å; N1987-N2022 PolarHBondContact O-ND2 3.05Å
2023	V	31.9	Very low	31.2	Very low	136 Å²	136	131.5 Å²	131.5	82%	0.824	67%	0.667	S	S	*	*				-135.5	0	129.7	-179.8	0	0	0	0	108.7	N1988 N1989	N1988-V2023 WeakPolarHBondContact CB-OXT 3.43Å; N1988-V2023 PolarHBondContact ND2-OXT 3.49Å; N1989-V2023 PolarHBondContact ND2-OXT 3.21Å

Retrieved 2,023 of 2,023 residues in 1683.5 ms (Link to these results)

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