A0A5K4F0V9_SCHMA Loading...

Serine/threonine-protein AlphaSync Fragmented

AlphaFold DB , UniProt , Accession A0A5K4F0V9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,737 aa.

						>A0A5K4F0V9_SCHMA|A0A5K4F0V9
MNASIHQQVSKNEQATESFSGADGNATDTSVHKTEDTDLLNRSAFRRDSGSRSTTKKVKIVDPKQNVEADSDDEDLLSQPNIAGVPVIGESIGVVNCGQPNDQQASATSADRKKTKEERKKEREKKKEEEMLKKYQAEQEAKQKVSAKSKCSRWIKHNLKIGEGGYKFVYRGYDSVEARNVAWCEFKHVDTKEKRQAMFRETEIMLKMNHPHIVRCFDVFREWIDMEDPNNQIEEKGVVIIQELMGEGTLKSVIRKNFLDGQCILKFPLITRWWHQILDALRYMHHKIQPPILHRDLKADNCFLYGASDEEYLNVKVGDFGLATHVSNSGRKTMLGTLGFMAPEIFDEKYDEKVDIYAFGMLMLEVMTNRTPYDECETVLQVAAKTMSGQGPDIMQMVSNPSLREVISACIQPLTCFRPTADELYFHPLFQKYQEGNDSWPKTLPVEVEPNYDNATDRAEVLDRFVRSLGNPETRNPNFNLRLRFRDKKMLQELGLDDGESLEFDLDIYKAEDQDIPDLIHNLRLGYEDKLWRVFENPKQPDKKVVSSHLDKLFSSIRLQMQFLVKVLLGKRWKAILDSLVQDQPVRKKQEGASTVDEDDESDTDAYDTSSFTIIGKYKSKWNRAKKLLEKEIQAYRNSTINVSSASSSNVLCSAVNTIAPTLASSVTSTTSMLPVVASQSNMDTMHNPVSASGVGTSGHVSIVHPSKTISEPVDSYYSNPYSSHQVSSTGHGLTSIGKFTVTVPPSATAAPAIPNVLPSLSLNGPGPTPSPTPIPPQQSVGIQKSSEVPISSCSNSSTLYAAPVSLQTDANLCARRPVSDQKSTIITPSISLQVSTASLAGGSSSQQALNQKPPLPFQSHQSIPSLSTSQTQPSGFVPPPSSLLKSDMDSTHLNNLDTIARSAMILQQVLQGITSTSIANPSVSTTESFLNSQTEGANQNHPVNSVFAPPISSDNQSMIQQSQHSTSMKNQFQSHVGTLNVNDIGTSLQTVTPGLGGIQHSNSALQNENFVQSESDHLQKTDQSSLLVNSEHASLINQLTEVIINNATAQGLLLGGNNYISSMNALYNDAQQSQQPIVNNQAALSNYLSRQSSTPQQQSQLENVTSIVKPTERRTRKKSKSKPRYILRVTKIERDSESCEPGNCRPTFYLEMPDMNNPNNELWKITFRCNLSDTLEDIKLFQGSDYTPVNKDIDRAAKEGVMKLLEALRNDVHSVKLNQDYIFYPQPSTVGFDQINRPPTNLSNAPLFQSSVPPNCNSTNQFSNGGFQNTGTCLPCISTIPYDNSTLISNFEEIQPLDSKDLDDEEEFSENSRPMSPVDNINQPINYLFQPVASNVEPISNPISNIIPQCMMYYVASSAVGLPTSDSIVSNSRIKGDLGQIPENVPASDISNSNFVTQSLLPMNLNYIKDILSLPVGRLENGGVNLFNCQAGLEEVPPLVPRLSEQSGAALAGISRSTSCNESTSRDPVVISQSDDVAYQSYSTHPLRNMTNLNHISACNQGGTGYNSSFSFTPEELVNVTVTIPAYLETTLKNLVSNLCSNPSHACVLIPTLESNEISSFYRCSGVQVVDIPDGHMFVGIPGNRRMPSGTRLHSTLLTTVQANSEKLFVLASGANSDDSFSGPHIYRIPQDSALVLTHTGNIHLLDKAALVVPVRSMDHSHSISPPSSPVHESGTNLVVSSVYVRKLPIPADVDTLSFDDVLALLMALRDAPHGAMQSYPLNMIGTNTDGENVAIGPNTLAFDNNLGPESLSRRSSAATTILPASPNYYSTQVQTVPSSGMNPNQPSLNVTNQQQVQSSLQSEINTASQFPIPVSIGQQSTNQLAGTVNSQLFLPDQIQSLIQSVNQPFSLQSFPYSAVKSGTSYINQSNMSTDNTQSVQSIVAQNQLSLPLKNMFSQQQSFPIKLLQDQILVNNQSQGNPSCLPNLQSQNQQQQPQQSQQQQSVVFPQSHAPAQSTSSQSKESQQQTLVQPNTQQLLQLLSALNTLQNLDQVPQLLSNLLKTSSQFANPVSKSSTGSGAVGTAPSVGVVRHSRQVSPPVSTQSVTLSSTQCQTNHVPQRFNSVAYPSVSNAGVCAASVNSLPDLLGRLLSSAAANSEWLNVSEANKRQGIQIHPTFVQNNLSSCGSTLENQESLNIQSAVKTPTVQGGGIITPQSSQPNQQQQQLIQIPTHQQSTQIQSQLQHSQLVSSQQSSQMQPHVLQQSHATISSTQTQCQQQPPQMSGQIQQLTQLQPSPQPAQIQQQQQQTSQILSQIPSLQIQQQTPTVNPQIQTHQIHQQQASVIPLQQQSSQSQTLQTSQQQSQTHQQSSNQPHITQPITGHQQVQYTSQQWQQPQHSLNVMPKLSSPLPTRDRNQQLSLSNAHSYLSQILPELANAVRLIQQTPDNNSAGFLPLDVQNKLLTLLQQQQQIQNQPPHLSAQELSSNFTGTNTTFPTCVAVPSNTNQVLNVHSASSSSKLPIPSNSNFASLNRFIVTSSNISTPNPICTAVTSCSTRDHVALPVDVTKDIKNVEYSLTSLPTEQPSITSTRPVNPSGTTIANKFTVAPANLEDDDPGPPMIPHMPGPNQLHQAPPPRPPRQHRPYAASVIGVHATNDLPGHASMAVSGTNVSLIPNMNQALPNNGTVTNVNVGLNMNQPLPTGSATNIKSASNVPSINKIENVPLQSGPSIVTFPTTTLTVTLPRTQNLPHHQPKSSVSNMTSTIPSNVVHLSTSVNPASSVTNPIQSGSQISTTK
					

Structure and PAE viewers are unavailable as this is a multi-fragment structure.

Download 8 Fragment Structures AlphaSync Parameters PDBs 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	24.6	Very low	29.1	Very low	235 Å²	235	157.1 Å²	157.1	100%	1.158	85%	0.849	S	S	*	*				0	124.6	0	-67.6	164.2	172.2	0	0	107.2
2	N	28.1	Very low	29.1	Very low	175 Å²	175	157.2 Å²	157.2	94%	0.936	85%	0.849	S	S	*	*			trans	166.8	80.3	162.3	-91.6	-7.1	0	0	0	108.8
3	A	30.5	Very low	28.7	Very low	99 Å²	99	156.7 Å²	156.7	82%	0.818	84%	0.838	S	S	*	*			trans	-159.6	64.3	-179.5	0	0	0	0	0	111.4
4	S	32.5	Very low	28.8	Very low	122 Å²	122	158.9 Å²	158.9	85%	0.853	84%	0.841	S	S	*	*			trans	-166.5	46.5	170.2	-95.8	0	0	0	0	113.6
5	I	32.5	Very low	28.8	Very low	169 Å²	169	154.1 Å²	154.1	87%	0.867	83%	0.832	S	S	*	*			trans	-138.3	88.7	160.5	-53.3	-180	0	0	0	108.5
6	H	26.5	Very low	28.5	Very low	183 Å²	183	152.6 Å²	152.6	85%	0.847	83%	0.83	S	S	*	*			trans	-163.1	144.2	165.7	-122.7	-39.4	0	0	0	110.4
7	Q	28.8	Very low	28.5	Very low	176 Å²	176	154.7 Å²	154.7	82%	0.822	83%	0.833	S	S	*	*			trans	70.1	146.7	-176.3	-46.9	-179.2	9.3	0	0	112.9
8	Q	31.3	Very low	28.5	Very low	163 Å²	163	152.3 Å²	152.3	76%	0.762	83%	0.83	S	S	*	*			cis	-122.5	132.2	12	-66.4	170.6	-15.1	0	0	112.2
9	V	26.9	Very low	28.6	Very low	150 Å²	150	155.4 Å²	155.4	91%	0.909	84%	0.835	S	S	*	*			trans	-108.7	97.3	158.3	175.8	0	0	0	0	106.4
10	S	30.3	Very low	28.5	Very low	96 Å²	96	153.4 Å²	153.4	67%	0.671	83%	0.834	S	S	*	*			trans	-97.6	114.7	-178.8	-64.1	0	0	0	0	109.8
11	K	27.6	Very low	28.6	Very low	160 Å²	160	149.8 Å²	149.8	70%	0.696	83%	0.832	S	S	*	*			trans	-65.6	130.2	172.9	-71.2	176.5	144.6	-136.5	0	110.5	E13	K11-E13 IonicContact NZ-OE1 2.75Å; K11-E13 IonicContact NZ-OE2 2.75Å; K11-E13 PolarHBondContact NZ-OE2 3.38Å
12	N	29.5	Very low	28.8	Very low	158 Å²	158	143.3 Å²	143.3	85%	0.845	82%	0.816	S	S	*	*			trans	-117.9	89.6	157.9	-94.4	-0.7	0	0	0	108.7
13	E	24.5	Very low	28.9	Very low	151 Å²	151	142.9 Å²	142.9	71%	0.706	81%	0.814	S	S	*	*			trans	-88.6	103.4	164.1	-71.8	166.5	104	0	0	107.2	K11	K11-E13 IonicContact NZ-OE1 2.75Å; K11-E13 IonicContact NZ-OE2 2.75Å; K11-E13 PolarHBondContact NZ-OE2 3.38Å
14	Q	29.9	Very low	28.9	Very low	188 Å²	188	141.9 Å²	141.9	88%	0.879	81%	0.813	S	S	*	*			trans	-128.9	135.7	167.4	-84.1	-163.4	-30	0	0	112.3
15	A	28	Very low	28.7	Very low	87 Å²	87	143.3 Å²	143.3	72%	0.719	81%	0.811	S	S	*	*			trans	-53.8	134.7	-168.9	0	0	0	0	0	115.2
16	T	25	Very low	28.6	Very low	130 Å²	130	139.3 Å²	139.3	80%	0.798	80%	0.803	S	S	*	*			trans	11.5	114.3	131	57.4	0	0	0	0	117.6
17	E	28.5	Very low	28.9	Very low	188 Å²	188	137.4 Å²	137.4	88%	0.879	81%	0.805	S	S	*	*			trans	-125.8	135.5	136.9	-76	-158.7	144.8	0	0	109.5
18	S	28.1	Very low	28.9	Very low	112 Å²	112	135.9 Å²	135.9	78%	0.783	80%	0.802	S	S	*	*			trans	-94.3	121	-174.8	52.8	0	0	0	0	111.2
19	F	29.3	Very low	29	Very low	210 Å²	210	134.9 Å²	134.9	92%	0.921	81%	0.808	S	S	*	*			trans	-100.8	110.7	164.1	-100.2	-89.6	0	0	0	110.6
20	S	27.1	Very low	28.9	Very low	115 Å²	115	132.8 Å²	132.8	80%	0.804	80%	0.799	S	S	*	*			trans	-106.3	133	179.5	56.1	0	0	0	0	111.4
21	G	29.9	Very low	28.9	Very low	78 Å²	78	135.1 Å²	135.1	80%	0.804	81%	0.809	S	S	*	*			trans	141.3	144.2	169	0	0	0	0	0	112.7
22	A	30.4	Very low	29	Very low	99 Å²	99	135.3 Å²	135.3	82%	0.818	81%	0.812	S	S	*	*			cis	-155.3	170.5	-9.4	0	0	0	0	0	110.2
23	D	28.8	Very low	28.8	Very low	166 Å²	166	134.8 Å²	134.8	89%	0.888	80%	0.803	S	S	*	*			trans	-60.8	155.1	-168.9	-51.8	-86.9	0	0	0	116
24	G	31	Very low	29	Very low	78 Å²	78	134.5 Å²	134.5	80%	0.804	81%	0.811	S	S	*	*			trans	-154.4	34.4	-172.1	0	0	0	0	0	116.8
25	N	28.9	Very low	28.9	Very low	152 Å²	152	132.3 Å²	132.3	81%	0.813	80%	0.801	S	S	*	*			trans	20.1	112.1	166.8	-82.5	-11.7	0	0	0	120.8
26	A	29.6	Very low	29.1	Very low	85 Å²	85	136 Å²	136	70%	0.702	81%	0.809	S	S	*	*				38.7	134.4	116.9	0	0	0	0	0	121.6
27	T	33.8	Very low	29.3	Very low	143 Å²	143	135.4 Å²	135.4	88%	0.877	81%	0.805	S	S	*	*			trans	-151.9	122.9	137.6	-14.2	0	0	0	0	110.1
28	D	27.9	Very low	29.3	Very low	144 Å²	144	133.3 Å²	133.3	77%	0.77	80%	0.8	S	S	*	*			trans	-73.7	150	176.6	-77.4	-70.7	0	0	0	112.7
29	T	33.2	Very low	29.4	Very low	143 Å²	143	135.8 Å²	135.8	88%	0.877	80%	0.803	S	S	*	*			trans	-146.6	82.8	155.3	1.5	0	0	0	0	110.9
30	S	25.7	Very low	29.4	Very low	105 Å²	105	133 Å²	133	73%	0.734	80%	0.797	S	S	*	*			trans	-84.1	127.4	173.5	53.3	0	0	0	0	111.5
31	V	31	Very low	29.5	Very low	145 Å²	145	135.8 Å²	135.8	88%	0.879	80%	0.803	S	S	*	*			trans	-134.8	139.8	161.3	-176.7	0	0	0	0	109.5
32	H	28.1	Very low	29.4	Very low	164 Å²	164	142.3 Å²	142.3	76%	0.759	80%	0.804	S	S	*	*			trans	-72.1	147.7	-162.8	-82.4	-85.2	0	0	0	117
33	K	25.5	Very low	29.3	Very low	148 Å²	148	142.3 Å²	142.3	64%	0.643	80%	0.798	S	S	*	*				23.1	136.9	129.7	-64	-176.7	160	-121.8	0	119.2	E35	K33-E35 IonicContact NZ-OE2 3.99Å; K33-E35 PolarHBondContact NZ-OE2 3.32Å
34	T	30	Very low	29.3	Very low	145 Å²	145	138.8 Å²	138.8	89%	0.89	79%	0.792	S	S	*	*				-143.8	137.1	104.6	25.1	0	0	0	0	110.2
35	E	28.1	Very low	29.3	Very low	142 Å²	142	144.4 Å²	144.4	66%	0.664	80%	0.795	S	S	*	*			trans	-92.4	142.9	165.1	-64.6	144	111.9	0	0	107.7	K33	K33-E35 IonicContact NZ-OE2 3.99Å; K33-E35 PolarHBondContact NZ-OE2 3.32Å
36	D	32.1	Very low	29.2	Very low	164 Å²	164	147.4 Å²	147.4	88%	0.877	80%	0.795	S	S	*	*			trans	-157.7	157.6	152.1	-124.1	-34.2	0	0	0	111.4
37	T	28.5	Very low	29.3	Very low	117 Å²	117	154.3 Å²	154.3	72%	0.718	80%	0.802	S	S	*	*			trans	-123.7	156.9	-153.7	50.8	0	0	0	0	116.6
38	D	28.2	Very low	29.1	Very low	145 Å²	145	154 Å²	154	78%	0.775	80%	0.795	S	S	*	*			trans	28.1	111.2	151.3	-68.8	-35	0	0	0	120.2
39	L	31.1	Very low	29.3	Very low	163 Å²	163	153.1 Å²	153.1	85%	0.853	80%	0.8	S	S	*	*			trans	-139.3	95.1	142.4	-82.9	-173.3	0	0	0	113.4
40	L	28.2	Very low	29.1	Very low	152 Å²	152	150.5 Å²	150.5	80%	0.796	80%	0.802	S	S	*	*			trans	34.1	103.9	133	-59	174	0	0	0	118.4
41	N	29.2	Very low	29.3	Very low	174 Å²	174	151 Å²	151	93%	0.93	81%	0.805	S	S	*	*			trans	-106.4	116.5	154.9	-165.7	-10.3	0	0	0	109.5
42	R	28.4	Very low	29.1	Very low	214 Å²	214	155.1 Å²	155.1	81%	0.808	81%	0.805	S	S	*	*			trans	-137.4	130.4	-167	-161.7	-174.1	-176.5	-179.4	2	113.5
43	S	27	Very low	29.3	Very low	99 Å²	99	151.9 Å²	151.9	69%	0.692	80%	0.801	S	S	*	*			trans	61.8	107.8	155.8	54.7	0	0	0	0	120.6
44	A	29.7	Very low	29.4	Very low	93 Å²	93	150.3 Å²	150.3	77%	0.769	80%	0.804	S	S	*	*				74.2	120.8	118.9	0	0	0	0	0	121.1
45	F	31.5	Very low	29.4	Very low	196 Å²	196	148.5 Å²	148.5	86%	0.86	79%	0.793	S	S	*	*			trans	-136.7	134.5	136.5	-115.3	-82.1	0	0	0	110.4
46	R	26.4	Very low	29.4	Very low	215 Å²	215	151 Å²	151	81%	0.811	80%	0.801	S	S	*	*			trans	-89.9	152	167.9	-71.4	-176.5	178.7	179.2	-1.2	110.1
47	R	31.1	Very low	29.2	Very low	229 Å²	229	152.5 Å²	152.5	86%	0.864	80%	0.8	S	S	*	*			trans	-157.8	139.9	132.1	-126.3	171.4	-70.9	179.7	-0.9	110.4
48	D	29.5	Very low	29.3	Very low	137 Å²	137	153.1 Å²	153.1	73%	0.733	80%	0.804	S	S	*	*			trans	-86.8	144.3	-171.7	-59.6	-87.3	0	0	0	112.3
49	S	32.7	Very low	29.2	Very low	125 Å²	125	155 Å²	155	87%	0.874	81%	0.805	S	S	*	*			trans	-144.5	94.5	164.5	-73.2	0	0	0	0	107.2	S51	S49-S51 PolarHBondContact O-N 3.2Å
50	G	28.3	Very low	29.1	Very low	89 Å²	89	154.1 Å²	154.1	92%	0.918	80%	0.799	S	S	*	*			trans	-77.5	103.6	-165.7	0	0	0	0	0	114.1
51	S	30.2	Very low	29.2	Very low	114 Å²	114	152.7 Å²	152.7	80%	0.797	80%	0.797	S	S	*	*			trans	-114.6	105.4	155.3	-173.7	0	0	0	0	108.6	S49 S53	S49-S51 PolarHBondContact O-N 3.2Å; S51-S53 PolarHBondContact O-N 3.41Å
52	R	28	Very low	29.2	Very low	233 Å²	233	150.9 Å²	150.9	88%	0.879	79%	0.787	S	S	*	*			trans	-83.1	58.5	-163	-166.8	177.1	172.3	179.2	-4.3	112.4	T54	R52-T54 HydrophobicContact CG-CG2 4.49Å; R52-T54 PolarHBondContact O-N 2.92Å
53	S	31.5	Very low	29.4	Very low	95 Å²	95	146.4 Å²	146.4	66%	0.664	79%	0.786	S	S	*	*			trans	-64.5	103.9	170.8	-177.1	0	0	0	0	110.3	S51 T55	S51-S53 PolarHBondContact O-N 3.41Å; S53-T55 PolarHBondContact O-N 3.12Å
54	T	28.3	Very low	29.5	Very low	116 Å²	116	151.2 Å²	151.2	71%	0.712	79%	0.794	S	S	*	*			trans	-76.9	70.9	-178.1	51.7	0	0	0	0	111.7	R52 K56	R52-T54 HydrophobicContact CG-CG2 4.49Å; R52-T54 PolarHBondContact O-N 2.92Å; T54-K56 PolarHBondContact O-N 3.45Å
55	T	29.7	Very low	29.3	Very low	107 Å²	107	155.5 Å²	155.5	66%	0.656	80%	0.798	S	S	*	*			trans	-66.1	100.7	172.9	43.2	0	0	0	0	110.5	S53 K57	S53-T55 PolarHBondContact O-N 3.12Å; T55-K57 PolarHBondContact O-N 3.38Å
56	K	27.6	Very low	29.2	Very low	193 Å²	193	153.2 Å²	153.2	84%	0.839	80%	0.795	S	S	*	*			trans	-62.1	93.5	174.5	-73	-174.6	176.9	-177.5	0	110.1	T54 V58	T54-K56 PolarHBondContact O-N 3.45Å; K56-V58 PolarHBondContact O-N 3.44Å
57	K	28.2	Very low	29.3	Very low	197 Å²	197	149 Å²	149	86%	0.857	79%	0.793	S	S	*	*			trans	-68.7	98	170.2	-75.9	-170.4	175.6	-176.4	0	109.8	T55 K59	T55-K57 PolarHBondContact O-N 3.38Å; K57-K59 PolarHBondContact O-N 3.13Å
58	V	29.9	Very low	29.2	Very low	130 Å²	130	147 Å²	147	79%	0.788	79%	0.793	S	S	*	*			trans	-60.8	116.8	171.1	178.8	0	0	0	0	108.6	K56 I60	K56-V58 PolarHBondContact O-N 3.44Å; V58-I60 PolarHBondContact O-N 3.4Å
59	K	26.7	Very low	29.3	Very low	185 Å²	185	144.6 Å²	144.6	80%	0.804	79%	0.793	S	S	*	*			trans	-82.9	105.3	175.5	-173	179.5	-178.1	-176.8	0	108	K57 V61	K57-K59 PolarHBondContact O-N 3.13Å; K59-V61 PolarHBondContact O-N 3.24Å
60	I	29	Very low	28.9	Very low	143 Å²	143	146 Å²	146	73%	0.733	79%	0.79	S	S	*	*			trans	-58.5	129.3	173.1	-59.4	173.9	0	0	0	107.9	V58	V58-I60 PolarHBondContact O-N 3.4Å
61	V	30.3	Very low	29.1	Very low	122 Å²	122	147.5 Å²	147.5	74%	0.739	79%	0.787	S	S	*	*			trans	-109.2	109.3	176.9	177.7	0	0	0	0	107.1	K59 P63	K59-V61 PolarHBondContact O-N 3.24Å; V61-P63 WeakPolarHBondContact O-CD 3.01Å
62	D	29.3	Very low	29	Very low	137 Å²	137	149.6 Å²	149.6	73%	0.733	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-64.2	122.2	178	-63.2	-57	0	0	0	110.2	K64	D62-K64 PolarHBondContact O-N 3.27Å
63	P	33.6	Very low	29.1	Very low	120 Å²	120	146.5 Å²	146.5	78%	0.779	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-72.4	122.2	-177	28.4	-33.3	0	0	0	110.2	V61 Q65	V61-P63 WeakPolarHBondContact O-CD 3.01Å; P63-Q65 PolarHBondContact O-N 3.22Å
64	K	27.7	Very low	29	Very low	199 Å²	199	150.8 Å²	150.8	87%	0.865	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-66.4	134.7	171.4	-75.8	-174.5	175.1	-178.5	0	110.1	D62 N66	D62-K64 PolarHBondContact O-N 3.27Å; K64-N66 PolarHBondContact O-N 3.44Å
65	Q	26.2	Very low	28.9	Very low	183 Å²	183	151 Å²	151	86%	0.855	80%	0.797	S	S	*	*			trans	-65.6	110.1	173	-65.1	168.7	-36.5	0	0	110	P63	P63-Q65 PolarHBondContact O-N 3.22Å
66	N	29.6	Very low	28.9	Very low	148 Å²	148	154.1 Å²	154.1	79%	0.791	81%	0.808	S	S	*	*			trans	-93.8	115.7	152	-87.1	19	0	0	0	107.2	K64	K64-N66 PolarHBondContact O-N 3.44Å
67	V	28.3	Very low	28.8	Very low	128 Å²	128	152.5 Å²	152.5	78%	0.776	81%	0.808	S	S	*	*			trans	-101.1	99.9	170.6	178.7	0	0	0	0	107.1
68	E	29.1	Very low	28.8	Very low	186 Å²	186	146.2 Å²	146.2	87%	0.869	79%	0.789	S	S	*	*			trans	-123.2	142.3	162.4	-65.7	-170.8	149.2	0	0	107.1
69	A	30.8	Very low	28.8	Very low	87 Å²	87	145.5 Å²	145.5	72%	0.719	78%	0.777	S	S	*	*			trans	-117.8	155.5	-157.6	0	0	0	0	0	113.3
70	D	25.6	Very low	29.1	Very low	153 Å²	153	141.1 Å²	141.1	82%	0.818	77%	0.767	S	S	*	*			trans	33.9	102.8	158.4	-58.9	-2	0	0	0	118.4
71	S	31.7	Very low	29.1	Very low	122 Å²	122	140.1 Å²	140.1	85%	0.853	76%	0.764	S	S	*	*			trans	-140.2	80	142.9	68.2	0	0	0	0	110	D73	S71-D73 PolarHBondContact O-N 3.17Å
72	D	27	Very low	29.2	Very low	157 Å²	157	139.1 Å²	139.1	84%	0.84	75%	0.753	S	S	*	*			trans	-66.4	111.7	166.9	-77.5	-33.7	0	0	0	109.5
73	D	31.4	Very low	29.2	Very low	169 Å²	169	137.4 Å²	137.4	90%	0.904	76%	0.758	S	S	*	*			trans	-158.9	85.8	161.6	-103.5	-35.4	0	0	0	109.1	S71	S71-D73 PolarHBondContact O-N 3.17Å
74	E	28.4	Very low	29	Very low	185 Å²	185	135 Å²	135	86%	0.864	75%	0.754	S	S	*	*			trans	-132	166	178.6	-96.4	-68.7	-175.7	0	0	111.3
75	D	27.4	Very low	29	Very low	121 Å²	121	132.1 Å²	132.1	65%	0.647	75%	0.753	S	S	*	*			trans	66.4	88.1	172.2	-105.3	-27.2	0	0	0	117.9
76	L	29.1	Very low	29.4	Very low	172 Å²	172	128.9 Å²	128.9	90%	0.901	75%	0.748	S	S	*	*			trans	-134.8	80.5	144.8	-85.4	-172	0	0	0	112.6
77	L	25.4	Very low	29.5	Very low	158 Å²	158	128.6 Å²	128.6	83%	0.827	75%	0.752	S	S	*	*			trans	-59.6	128.2	171.6	-67.9	163.7	0	0	0	112.9
78	S	29.2	Very low	29.5	Very low	66 Å²	66	130.4 Å²	130.4	46%	0.462	76%	0.755	S	S	.	*			trans	-138.5	56.1	-173.6	63.2	0	0	0	0	116.4
79	Q	29	Very low	29.2	Very low	115 Å²	115	124.7 Å²	124.7	54%	0.537	75%	0.746	S	S	.	*			trans	45.9	139.9	147.3	-56.6	-172.8	-4.1	0	0	122.4
80	P	33.1	Very low	29.2	Very low	93 Å²	93	130.1 Å²	130.1	60%	0.604	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-98.9	124.8	-173.3	36.6	-34.7	0	0	0	116.9
81	N	27.8	Very low	29.2	Very low	122 Å²	122	128.4 Å²	128.4	65%	0.652	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-54.9	140.2	-176.6	-89.9	-60.2	0	0	0	117.1
82	I	33.4	Very low	29.1	Very low	101 Å²	101	130.6 Å²	130.6	52%	0.518	76%	0.757	S	S	.	*	P	Polyproline II helix	trans	-102.5	134.6	159	-75.9	177.5	0	0	0	110.8
83	A	30.2	Very low	29	Very low	100 Å²	100	126.6 Å²	126.6	83%	0.826	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-100.8	147.8	152.2	0	0	0	0	0	109.2
84	G	28.3	Very low	29.1	Very low	69 Å²	69	125.2 Å²	125.2	71%	0.711	75%	0.75	S	S	*	*			cis	132.1	72.1	9.7	0	0	0	0	0	110.2
85	V	28.9	Very low	29	Very low	139 Å²	139	122.6 Å²	122.6	84%	0.842	75%	0.747	S	S	*	*			trans	-113.9	124.4	177.8	179.7	0	0	0	0	108.7
86	P	34.3	Very low	29.1	Very low	116 Å²	116	124.3 Å²	124.3	75%	0.753	76%	0.756	S	S	*	*			trans	-85.9	147.1	-168.4	33.2	-35.7	0	0	0	113.3
87	V	30.9	Very low	28.8	Very low	142 Å²	142	121.3 Å²	121.3	86%	0.861	75%	0.748	S	S	*	*			trans	-123.4	120.8	163.4	175.1	0	0	0	0	108.6
88	I	27.9	Very low	29.1	Very low	165 Å²	165	117.6 Å²	117.6	85%	0.846	75%	0.748	S	S	*	*			trans	-68.5	139	169.8	-57.4	159.6	0	0	0	107.1
89	G	24.3	Very low	29.2	Very low	66 Å²	66	123.3 Å²	123.3	68%	0.68	77%	0.767	S	S	*	*			cis	129.8	73.3	10.5	0	0	0	0	0	109.4
90	E	30.2	Very low	30.1	Very low	202 Å²	202	123 Å²	123	94%	0.944	78%	0.775	S	S	*	*			trans	-115.9	129.6	172.8	-79.2	-168.1	145.6	0	0	110.3
91	S	25.1	Very low	30.1	Very low	116 Å²	116	126.5 Å²	126.5	81%	0.811	79%	0.789	S	S	*	*			trans	-126.2	102.9	-171.6	58.3	0	0	0	0	111.1
92	I	30.3	Very low	30.2	Very low	168 Å²	168	127.1 Å²	127.1	86%	0.862	79%	0.792	S	S	*	*			trans	-129.8	108.2	165.1	-57.6	-179.2	0	0	0	107.5
93	G	24.6	Very low	30	Very low	73 Å²	73	130.7 Å²	130.7	75%	0.753	81%	0.807	S	S	*	*			trans	-94.7	143.8	176	0	0	0	0	0	111.9
94	V	33.2	Very low	30.2	Very low	140 Å²	140	134.9 Å²	134.9	85%	0.848	81%	0.809	S	S	*	*			trans	-129.9	114.2	159.2	179.7	0	0	0	0	107.7
95	V	25.8	Very low	30.3	Very low	131 Å²	131	136.2 Å²	136.2	79%	0.794	81%	0.813	S	S	*	*			trans	-87.8	130	171	175.2	0	0	0	0	108.2
96	N	31	Very low	30.5	Very low	156 Å²	156	135.5 Å²	135.5	83%	0.834	81%	0.814	S	S	*	*			trans	-151.6	138	145.9	-150.1	-6.9	0	0	0	111.4
97	C	22.5	Very low	30.4	Very low	109 Å²	109	134 Å²	134	74%	0.736	81%	0.812	S	S	*	*			trans	-103.9	123.7	179.9	-67.9	0	0	0	0	110
98	G	30.8	Very low	30.7	Very low	80 Å²	80	134.2 Å²	134.2	83%	0.825	81%	0.814	S	S	*	*			trans	-106	115.2	165.2	0	0	0	0	0	109.7
99	Q	31.5	Very low	31.3	Very low	187 Å²	187	131.7 Å²	131.7	87%	0.874	81%	0.811	S	S	*	*			trans	-80.6	155	177.9	-82.1	-174.6	-73	0	0	112.3
100	P	47.2	Very low	32.2	Very low	109 Å²	109	133.2 Å²	133.2	71%	0.708	82%	0.817	S	S	*	*			trans	-79.6	169.1	-173.5	34.3	-37.7	0	0	0	113
101	N	33.1	Very low	33	Very low	166 Å²	166	129.9 Å²	129.9	89%	0.888	81%	0.806	S	S	*	*			trans	-129.5	136.6	163.2	-122.9	-13.4	0	0	0	108.2
102	D	29.9	Very low	34.3	Very low	135 Å²	135	135.7 Å²	135.7	72%	0.722	81%	0.81	S	S	*	*			trans	-86.2	176.9	-169.4	-68.2	-66.7	0	0	0	114.5
103	Q	30.4	Very low	35.6	Very low	175 Å²	175	136.6 Å²	136.6	82%	0.818	81%	0.808	S	S	*	*			trans	78.2	140.7	164.6	-42.3	177	28	0	0	114.5
104	Q	35.2	Very low	37.2	Very low	188 Å²	188	137.2 Å²	137.2	88%	0.879	79%	0.79	S	S	*	*			cis	-127.1	156.4	11.2	-74.5	170.4	-16.4	0	0	112.7
105	A	30.1	Very low	39	Very low	97 Å²	97	134.1 Å²	134.1	80%	0.802	77%	0.771	S	S	*	*			trans	-122.5	139.8	172.3	0	0	0	0	0	111.2
106	S	32.5	Very low	41.4	Very low	124 Å²	124	137.2 Å²	137.2	87%	0.867	77%	0.774	S	S	*	*			trans	156.1	154.2	156.6	45.8	0	0	0	0	110.6
107	A	32.4	Very low	43.6	Very low	86 Å²	86	134.3 Å²	134.3	71%	0.711	76%	0.755	S	S	*	*			cis	-169.2	126.3	-29.3	0	0	0	0	0	109.1
108	T	37.5	Very low	46.4	Very low	146 Å²	146	133.1 Å²	133.1	90%	0.896	74%	0.739	S	S	*	*			trans	-160.3	33.7	167.2	28.4	0	0	0	0	113.6	A110	T108-A110 PolarHBondContact O-N 3.42Å
109	S	40.5	Very low	48.9	Very low	112 Å²	112	137.1 Å²	137.1	78%	0.783	73%	0.729	S	S	*	*			trans	-72.9	91.8	171.6	55.6	0	0	0	0	110.9	D111	S109-D111 PolarHBondContact O-N 3.4Å
110	A	42	Very low	51.4	Low	98 Å²	98	133.4 Å²	133.4	81%	0.81	71%	0.71	S	S	*	*			trans	-73.5	63.4	175.5	0	0	0	0	0	111.8	T108 R112	T108-A110 PolarHBondContact O-N 3.42Å; A110-R112 PolarHBondContact O-N 2.88Å
111	D	47.9	Very low	53.1	Low	132 Å²	132	134 Å²	134	71%	0.706	70%	0.701	S	S	*	*			trans	-72.2	83.6	-173.3	-171.9	23	0	0	0	111.8	S109 K113	S109-D111 PolarHBondContact O-N 3.4Å; D111-K113 PolarHBondContact O-N 3.08Å
112	R	53.1	Low	55.7	Low	238 Å²	238	131 Å²	131	90%	0.898	68%	0.682	S	S	*	*			trans	-64.7	99.8	171.5	-87.4	-174.2	167.1	-179.5	-3.4	109	A110 K114	A110-R112 PolarHBondContact O-N 2.88Å; R112-K114 PolarHBondContact O-N 3.44Å
113	K	57.7	Low	58.4	Low	187 Å²	187	133.9 Å²	133.9	81%	0.813	68%	0.683	S	S	*	*			trans	-50.9	93.2	176.6	-70.9	-178.6	177.1	177.3	0	112.3	D111 T115	D111-K113 PolarHBondContact O-N 3.08Å; K113-T115 PolarHBondContact O-N 2.99Å
114	K	57.5	Low	61.1	Low	86 Å²	86	129 Å²	129	37%	0.374	66%	0.66	S	S	.	*			trans	-52.1	131.7	172.3	-136.4	-178.5	-178.8	-177.5	0	110.2	R112 E118 E122	R112-K114 PolarHBondContact O-N 3.44Å; K114-E118 HydrophobicContact CD-CB 4.18Å; K114-E118 HydrophobicContact CG-CB 3.76Å; K114-E118 HydrophobicContact CG-CG 4.32Å; K114-E118 WeakPolarHBondContact CG-OE1 3.12Å; K114-E122 IonicContact NZ-OE1 2.9Å; K114-E122 PolarHBondContact NZ-OE1 3.13Å; K114-E122 IonicContact NZ-OE2 2.76Å; K114-E122 PolarHBondContact NZ-OE2 2.95Å
115	T	70.7	Confident	63.6	Low	74 Å²	74	126.4 Å²	126.4	45%	0.454	65%	0.646	S	S	.	*			trans	-67.4	162.1	-172.6	62	0	0	0	0	112.6	K113 E117 E118 R119	K113-T115 PolarHBondContact O-N 2.99Å; T115-E117 PolarHBondContact O-N 2.82Å; T115-E118 WeakPolarHBondContact CB-OE2 3.45Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.47Å; T115-E118 PolarHBondContact N-OE2 2.92Å; T115-E118 PolarHBondContact O-N 2.87Å; T115-E118 WeakPolarHBondContact OG1-CG 3.47Å; T115-E118 PolarHBondContact OG1-N 3.2Å; T115-E118 PolarHBondContact OG1-OE2 3.35Å; T115-R119 PolarHBondContact O-N 2.9Å; T115-R119 VanDerWaalsContact O-N 3.08Å
116	K	77.2	Confident	66.4	Low	196 Å²	196	128.4 Å²	128.4	85%	0.852	64%	0.637	S	S	*	*	H	α-helix	trans	-55.7	-36.6	176.5	-173.7	-179.6	178.2	-175.9	0	111.8	K120	K116-K120 PolarHBondContact O-N 3.45Å
117	E	76	Confident	69.1	Low	95 Å²	95	130 Å²	130	44%	0.444	63%	0.628	S	S	.	*	H	α-helix	trans	-71	-43.5	179.6	179.7	59.9	-171.8	0	0	112.5	T115 R119 K120 K121	T115-E117 PolarHBondContact O-N 2.82Å; E117-R119 VanDerWaalsContact C-N 3.3Å; E117-R119 PolarHBondContact O-N 3Å; E117-K120 WeakPolarHBondContact O-CB 3.18Å; E117-K120 PolarHBondContact O-N 3.14Å; E117-K120 VanDerWaalsContact O-N 3.12Å; E117-K121 HydrophobicContact CG-CD 4.41Å; E117-K121 PolarHBondContact O-N 3.35Å; E117-K121 WeakPolarHBondContact OE1-CE 3.24Å; E117-K121 IonicContact OE1-NZ 3.85Å; E117-K121 PolarHBondContact OE1-NZ 2.99Å
118	E	81	Confident	71.7	Confident	84 Å²	84	132.1 Å²	132.1	39%	0.393	62%	0.623	S	S	.	*	H	α-helix	trans	-62	-37.8	173.6	-72.1	166.9	93.6	0	0	112.1	K114 T115 K120 K121 E122	K114-E118 HydrophobicContact CD-CB 4.18Å; K114-E118 HydrophobicContact CG-CB 3.76Å; K114-E118 HydrophobicContact CG-CG 4.32Å; K114-E118 WeakPolarHBondContact CG-OE1 3.12Å; T115-E118 WeakPolarHBondContact CB-OE2 3.45Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.47Å; T115-E118 PolarHBondContact N-OE2 2.92Å; T115-E118 PolarHBondContact O-N 2.87Å; T115-E118 WeakPolarHBondContact OG1-CG 3.47Å; T115-E118 PolarHBondContact OG1-N 3.2Å; T115-E118 PolarHBondContact OG1-OE2 3.35Å; E118-K120 VanDerWaalsContact C-N 3.3Å; E118-K120 PolarHBondContact O-N 3.2Å; E118-K121 PolarHBondContact O-N 3.49Å; E118-E122 VanDerWaalsContact O-CB 3.24Å; E118-E122 WeakPolarHBondContact O-CB 3.26Å; E118-E122 PolarHBondContact O-N 2.75Å
119	R	83.5	Confident	74.2	Confident	165 Å²	165	131.2 Å²	131.2	62%	0.623	61%	0.608	S	S	*	*	H	α-helix	trans	-66	-28.8	174.3	-72.4	-177.3	173.8	-164.4	-3.9	113.2	T115 E117 R123	T115-R119 PolarHBondContact O-N 2.9Å; T115-R119 VanDerWaalsContact O-N 3.08Å; E117-R119 VanDerWaalsContact C-N 3.3Å; E117-R119 PolarHBondContact O-N 3Å; R119-R123 WeakPolarHBondContact O-CG 3.3Å; R119-R123 PolarHBondContact O-N 2.79Å
120	K	84.3	Confident	76.5	Confident	109 Å²	109	131.9 Å²	131.9	47%	0.474	60%	0.599	S	S	.	*	H	α-helix	trans	-70.1	-53	172.8	-174	178.6	178.2	-80.5	0	110	K116 E117 E118 E122 R123 E124	K116-K120 PolarHBondContact O-N 3.45Å; E117-K120 WeakPolarHBondContact O-CB 3.18Å; E117-K120 PolarHBondContact O-N 3.14Å; E117-K120 VanDerWaalsContact O-N 3.12Å; E118-K120 VanDerWaalsContact C-N 3.3Å; E118-K120 PolarHBondContact O-N 3.2Å; K120-E122 VanDerWaalsContact C-N 3.27Å; K120-E122 PolarHBondContact O-N 3.25Å; K120-R123 WeakPolarHBondContact O-CB 3.16Å; K120-R123 PolarHBondContact O-N 3.17Å; K120-E124 WeakPolarHBondContact CE-OE1 3.41Å; K120-E124 IonicContact NZ-OE1 3.22Å; K120-E124 PolarHBondContact NZ-OE1 3.32Å; K120-E124 IonicContact NZ-OE2 3.22Å; K120-E124 WeakPolarHBondContact O-CG 3.43Å; K120-E124 PolarHBondContact O-N 3.45Å
121	K	83.8	Confident	78.5	Confident	120 Å²	120	133.8 Å²	133.8	52%	0.522	59%	0.593	S	S	.	*	H	α-helix	trans	-59.6	-33.6	178	-77.2	166.3	168.9	149	0	113.6	E117 E118 E124 K125	E117-K121 HydrophobicContact CG-CD 4.41Å; E117-K121 PolarHBondContact O-N 3.35Å; E117-K121 WeakPolarHBondContact OE1-CE 3.24Å; E117-K121 IonicContact OE1-NZ 3.85Å; E117-K121 PolarHBondContact OE1-NZ 2.99Å; E118-K121 PolarHBondContact O-N 3.49Å; K121-E124 PolarHBondContact O-N 3.06Å; K121-K125 VanDerWaalsContact O-CB 3.3Å; K121-K125 WeakPolarHBondContact O-CB 3.26Å; K121-K125 PolarHBondContact O-N 2.89Å
122	E	86.6	Confident	80.4	Confident	103 Å²	103	132 Å²	132	48%	0.481	58%	0.583	S	S	.	*	H	α-helix	trans	-69.8	-35.1	174.6	-177	158.4	-129.2	0	0	113.1	K114 E118 K120 K126	K114-E122 IonicContact NZ-OE1 2.9Å; K114-E122 PolarHBondContact NZ-OE1 3.13Å; K114-E122 IonicContact NZ-OE2 2.76Å; K114-E122 PolarHBondContact NZ-OE2 2.95Å; E118-E122 VanDerWaalsContact O-CB 3.24Å; E118-E122 WeakPolarHBondContact O-CB 3.26Å; E118-E122 PolarHBondContact O-N 2.75Å; K120-E122 VanDerWaalsContact C-N 3.27Å; K120-E122 PolarHBondContact O-N 3.25Å; E122-K126 WeakPolarHBondContact O-CB 3.1Å; E122-K126 PolarHBondContact O-N 3.37Å; E122-K126 VanDerWaalsContact O-N 3.09Å
123	R	86.9	Confident	82	Confident	196 Å²	196	128.1 Å²	128.1	74%	0.74	57%	0.573	S	S	*	*	H	α-helix	trans	-71.4	-39.4	171.5	-75	176.6	168.8	-167	-4.9	112.1	R119 K120 K126 K127	R119-R123 WeakPolarHBondContact O-CG 3.3Å; R119-R123 PolarHBondContact O-N 2.79Å; K120-R123 WeakPolarHBondContact O-CB 3.16Å; K120-R123 PolarHBondContact O-N 3.17Å; R123-K126 PolarHBondContact O-N 3.19Å; R123-K127 PolarHBondContact O-N 3.49Å
124	E	86.1	Confident	83.3	Confident	74 Å²	74	126.5 Å²	126.5	35%	0.346	57%	0.566	S	S	.	*	H	α-helix	trans	-64.2	-52.8	176.9	-71.5	165.7	158.3	0	0	110.5	K120 K121 K126 K127 E128	K120-E124 WeakPolarHBondContact CE-OE1 3.41Å; K120-E124 IonicContact NZ-OE1 3.22Å; K120-E124 PolarHBondContact NZ-OE1 3.32Å; K120-E124 IonicContact NZ-OE2 3.22Å; K120-E124 WeakPolarHBondContact O-CG 3.43Å; K120-E124 PolarHBondContact O-N 3.45Å; K121-E124 PolarHBondContact O-N 3.06Å; E124-K126 VanDerWaalsContact C-N 3.28Å; E124-K126 PolarHBondContact O-N 3.26Å; E124-K127 WeakPolarHBondContact O-CA 3.45Å; E124-K127 WeakPolarHBondContact O-CB 3.42Å; E124-K127 PolarHBondContact O-N 3.38Å; E124-E128 WeakPolarHBondContact O-CG 3.48Å; E124-E128 PolarHBondContact O-N 2.92Å
125	K	88.2	Confident	84.5	Confident	133 Å²	133	128.7 Å²	128.7	58%	0.578	57%	0.573	S	S	*	*	H	α-helix	trans	-55.3	-41	173.9	-174.2	-174.2	173.9	-169.2	0	112.6	K121 K127 E128 E129	K121-K125 VanDerWaalsContact O-CB 3.3Å; K121-K125 WeakPolarHBondContact O-CB 3.26Å; K121-K125 PolarHBondContact O-N 2.89Å; K125-K127 VanDerWaalsContact C-N 3.35Å; K125-K127 PolarHBondContact O-N 3.27Å; K125-E128 PolarHBondContact O-N 2.79Å; K125-E129 WeakPolarHBondContact O-CB 3.36Å; K125-E129 PolarHBondContact O-N 2.92Å
126	K	89.5	Confident	84.9	Confident	139 Å²	139	129.9 Å²	129.9	60%	0.604	57%	0.573	S	S	*	*	H	α-helix	trans	-64.1	-39.6	177.2	-172.4	179.9	175.8	-171.8	0	111.8	E122 R123 E124 E129 E130	E122-K126 WeakPolarHBondContact O-CB 3.1Å; E122-K126 PolarHBondContact O-N 3.37Å; E122-K126 VanDerWaalsContact O-N 3.09Å; R123-K126 PolarHBondContact O-N 3.19Å; E124-K126 VanDerWaalsContact C-N 3.28Å; E124-K126 PolarHBondContact O-N 3.26Å; K126-E129 PolarHBondContact O-N 2.9Å; K126-E130 VanDerWaalsContact O-CB 3.31Å; K126-E130 WeakPolarHBondContact O-CB 3.28Å; K126-E130 PolarHBondContact O-N 3.48Å
127	K	88.6	Confident	85	Confident	156 Å²	156	123.1 Å²	123.1	68%	0.678	55%	0.554	S	S	*	*	H	α-helix	trans	-64.2	-40.6	173.4	-75.2	-172.6	173.1	-166.6	0	111.9	R123 E124 K125 E130 M131	R123-K127 PolarHBondContact O-N 3.49Å; E124-K127 WeakPolarHBondContact O-CA 3.45Å; E124-K127 WeakPolarHBondContact O-CB 3.42Å; E124-K127 PolarHBondContact O-N 3.38Å; K125-K127 VanDerWaalsContact C-N 3.35Å; K125-K127 PolarHBondContact O-N 3.27Å; K127-E130 PolarHBondContact O-N 3.11Å; K127-M131 VanDerWaalsContact O-CB 3.3Å; K127-M131 WeakPolarHBondContact O-CB 3.46Å; K127-M131 WeakPolarHBondContact O-CG 3.34Å; K127-M131 PolarHBondContact O-N 3.35Å
128	E	88.1	Confident	85.1	Confident	132 Å²	132	122.9 Å²	122.9	62%	0.617	55%	0.552	S	S	*	*	H	α-helix	trans	-62.2	-44.4	174.9	-67.3	169.8	166	0	0	112	E124 K125 M131 L132	E124-E128 WeakPolarHBondContact O-CG 3.48Å; E124-E128 PolarHBondContact O-N 2.92Å; K125-E128 PolarHBondContact O-N 2.79Å; E128-M131 PolarHBondContact O-N 3.2Å; E128-L132 VanDerWaalsContact O-CB 3.31Å; E128-L132 WeakPolarHBondContact O-CB 3.34Å; E128-L132 PolarHBondContact O-N 2.83Å
129	E	89	Confident	84.8	Confident	126 Å²	126	121.4 Å²	121.4	59%	0.589	55%	0.546	S	S	*	.	H	α-helix	trans	-65.2	-39.8	177.3	-169.5	177.6	151.4	0	0	112	K125 K126 L132 K133	K125-E129 WeakPolarHBondContact O-CB 3.36Å; K125-E129 PolarHBondContact O-N 2.92Å; K126-E129 PolarHBondContact O-N 2.9Å; E129-L132 PolarHBondContact O-N 2.74Å; E129-K133 VanDerWaalsContact O-CB 3.3Å; E129-K133 WeakPolarHBondContact O-CB 3.48Å; E129-K133 PolarHBondContact O-N 3.49Å
130	E	88.3	Confident	84.5	Confident	127 Å²	127	120 Å²	120	59%	0.593	55%	0.546	S	S	*	.	H	α-helix	trans	-69	-41.2	176.2	-171.2	167.7	175.1	0	0	112.3	K126 K127 K133 K134	K126-E130 VanDerWaalsContact O-CB 3.31Å; K126-E130 WeakPolarHBondContact O-CB 3.28Å; K126-E130 PolarHBondContact O-N 3.48Å; K127-E130 PolarHBondContact O-N 3.11Å; E130-K133 PolarHBondContact O-N 3.1Å; E130-K134 WeakPolarHBondContact O-CB 3.25Å; E130-K134 PolarHBondContact O-N 2.69Å
131	M	84.1	Confident	83.9	Confident	138 Å²	138	117.6 Å²	117.6	68%	0.68	55%	0.547	S	S	*	.	H	α-helix	trans	-60.3	-46.8	171.2	-75.4	-83.2	-76	0	0	111.6	K127 E128 K133 K134 Y135	K127-M131 VanDerWaalsContact O-CB 3.3Å; K127-M131 WeakPolarHBondContact O-CB 3.46Å; K127-M131 WeakPolarHBondContact O-CG 3.34Å; K127-M131 PolarHBondContact O-N 3.35Å; E128-M131 PolarHBondContact O-N 3.2Å; M131-K133 PolarHBondContact O-N 3.4Å; M131-K134 PolarHBondContact O-N 3.23Å; M131-Y135 WeakPolarHBondContact O-CB 3.38Å; M131-Y135 PolarHBondContact O-N 2.97Å
132	L	87.4	Confident	83.3	Confident	95 Å²	95	114.8 Å²	114.8	50%	0.497	54%	0.535	S	S	.	.	H	α-helix	trans	-63.4	-41.2	177.9	-179.3	61.8	0	0	0	111.7	E128 E129 Y135 Q136	E128-L132 VanDerWaalsContact O-CB 3.31Å; E128-L132 WeakPolarHBondContact O-CB 3.34Å; E128-L132 PolarHBondContact O-N 2.83Å; E129-L132 PolarHBondContact O-N 2.74Å; L132-Y135 PolarHBondContact O-N 3.23Å; L132-Q136 WeakPolarHBondContact O-CB 3.5Å; L132-Q136 VanDerWaalsContact O-CG 3.32Å; L132-Q136 WeakPolarHBondContact O-CG 3.41Å; L132-Q136 PolarHBondContact O-N 2.94Å
133	K	88	Confident	82.6	Confident	155 Å²	155	114.9 Å²	114.9	67%	0.674	54%	0.535	S	S	*	.	H	α-helix	trans	-66.7	-40.6	176.4	-173.7	176.9	-179	179.8	0	112.3	E129 E130 M131 Q136 A137	E129-K133 VanDerWaalsContact O-CB 3.3Å; E129-K133 WeakPolarHBondContact O-CB 3.48Å; E129-K133 PolarHBondContact O-N 3.49Å; E130-K133 PolarHBondContact O-N 3.1Å; M131-K133 PolarHBondContact O-N 3.4Å; K133-Q136 PolarHBondContact O-N 2.99Å; K133-A137 WeakPolarHBondContact O-CB 3.33Å; K133-A137 PolarHBondContact O-N 3.34Å
134	K	84.7	Confident	82.2	Confident	154 Å²	154	112.1 Å²	112.1	67%	0.67	53%	0.528	S	S	*	.	H	α-helix	trans	-61.4	-45.6	173.6	-174.9	179.1	178.6	-178	0	110.8	E130 M131 A137 E138	E130-K134 WeakPolarHBondContact O-CB 3.25Å; E130-K134 PolarHBondContact O-N 2.69Å; M131-K134 PolarHBondContact O-N 3.23Å; K134-A137 PolarHBondContact O-N 3.21Å; K134-E138 WeakPolarHBondContact O-CB 3.2Å; K134-E138 PolarHBondContact O-N 3.4Å
135	Y	81.7	Confident	82	Confident	132 Å²	132	111.9 Å²	111.9	52%	0.518	53%	0.532	S	S	.	.	H	α-helix	trans	-60.8	-45	175.2	179	-102	0	0	0	112.3	M131 L132 E138 Q139	M131-Y135 WeakPolarHBondContact O-CB 3.38Å; M131-Y135 PolarHBondContact O-N 2.97Å; L132-Y135 PolarHBondContact O-N 3.23Å; Y135-E138 PolarHBondContact O-N 3.42Å; Y135-Q139 HydrophobicContact CD1-CG 4.31Å; Y135-Q139 HydrophobicContact CE1-CG 3.97Å; Y135-Q139 HydrophobicContact CE2-CG 4.21Å; Y135-Q139 VanDerWaalsContact CE2-NE2 3.33Å; Y135-Q139 WeakPolarHBondContact O-CG 3.35Å; Y135-Q139 PolarHBondContact O-N 3.22Å; Y135-Q139 PolarHBondContact OH-NE2 2.88Å
136	Q	80.3	Confident	81.7	Confident	98 Å²	98	108 Å²	108	46%	0.458	52%	0.521	S	S	.	.	H	α-helix	trans	-59.8	-49.7	175.7	-76.1	171.9	-2.5	0	0	111.9	L132 K133 E138 Q139 E140	L132-Q136 WeakPolarHBondContact O-CB 3.5Å; L132-Q136 VanDerWaalsContact O-CG 3.32Å; L132-Q136 WeakPolarHBondContact O-CG 3.41Å; L132-Q136 PolarHBondContact O-N 2.94Å; K133-Q136 PolarHBondContact O-N 2.99Å; Q136-E138 VanDerWaalsContact C-N 3.26Å; Q136-E138 PolarHBondContact O-N 2.92Å; Q136-Q139 PolarHBondContact O-N 3Å; Q136-Q139 VanDerWaalsContact O-N 3.1Å; Q136-E140 WeakPolarHBondContact O-CG 3.49Å; Q136-E140 PolarHBondContact O-N 3.29Å
137	A	79.1	Confident	81.5	Confident	54 Å²	54	102.6 Å²	102.6	45%	0.446	50%	0.503	S	S	.	.	H	α-helix	trans	-60.4	-35.3	177.5	0	0	0	0	0	112.6	K133 K134 A141	K133-A137 WeakPolarHBondContact O-CB 3.33Å; K133-A137 PolarHBondContact O-N 3.34Å; K134-A137 PolarHBondContact O-N 3.21Å; A137-A141 WeakPolarHBondContact O-CB 3.19Å; A137-A141 PolarHBondContact O-N 2.86Å
138	E	77.2	Confident	81.4	Confident	90 Å²	90	101.3 Å²	101.3	42%	0.421	50%	0.497	S	S	.	.	H	α-helix	trans	-68	-41.5	174.1	-164.5	-171.1	139.3	0	0	112	K134 Y135 Q136 A141 K142	K134-E138 WeakPolarHBondContact O-CB 3.2Å; K134-E138 PolarHBondContact O-N 3.4Å; Y135-E138 PolarHBondContact O-N 3.42Å; Q136-E138 VanDerWaalsContact C-N 3.26Å; Q136-E138 PolarHBondContact O-N 2.92Å; E138-A141 PolarHBondContact O-N 2.94Å; E138-K142 HydrophobicContact CG-CD 4.44Å; E138-K142 WeakPolarHBondContact O-CB 3.39Å; E138-K142 VanDerWaalsContact O-CG 3.23Å; E138-K142 WeakPolarHBondContact O-CG 3.49Å; E138-K142 PolarHBondContact O-N 3.03Å; E138-K142 VanDerWaalsContact OE1-CE 3.23Å; E138-K142 WeakPolarHBondContact OE1-CE 3.49Å; E138-K142 IonicContact OE1-NZ 2.82Å; E138-K142 PolarHBondContact OE1-NZ 3.33Å
139	Q	74.9	Confident	81.4	Confident	53 Å²	53	95.3 Å²	95.3	25%	0.248	47%	0.47	C	S	.	.	H	α-helix	trans	-69.6	-32	175.9	-64.7	-62.8	-11.6	0	0	112.8	Y135 Q136 Q143	Y135-Q139 HydrophobicContact CD1-CG 4.31Å; Y135-Q139 HydrophobicContact CE1-CG 3.97Å; Y135-Q139 HydrophobicContact CE2-CG 4.21Å; Y135-Q139 VanDerWaalsContact CE2-NE2 3.33Å; Y135-Q139 WeakPolarHBondContact O-CG 3.35Å; Y135-Q139 PolarHBondContact O-N 3.22Å; Y135-Q139 PolarHBondContact OH-NE2 2.88Å; Q136-Q139 PolarHBondContact O-N 3Å; Q136-Q139 VanDerWaalsContact O-N 3.1Å; Q139-Q143 WeakPolarHBondContact O-CB 3.49Å; Q139-Q143 WeakPolarHBondContact O-CG 3.38Å; Q139-Q143 PolarHBondContact O-N 3.03Å; Q139-Q143 VanDerWaalsContact O-N 3.1Å; Q139-Q143 PolarHBondContact O-NE2 3.2Å
140	E	77.1	Confident	81.2	Confident	135 Å²	135	99.7 Å²	99.7	63%	0.631	49%	0.487	S	S	*	.	H	α-helix	trans	-68.2	-45.3	170.9	-73.1	176.8	176.7	0	0	111.1	Q136 K142 Q143 K144	Q136-E140 WeakPolarHBondContact O-CG 3.49Å; Q136-E140 PolarHBondContact O-N 3.29Å; E140-K142 VanDerWaalsContact C-N 3.32Å; E140-K142 PolarHBondContact O-N 3.04Å; E140-Q143 CarbonylContact O-C 3.59Å; E140-Q143 PolarHBondContact O-N 3.01Å; E140-Q143 VanDerWaalsContact O-N 3.13Å; E140-K144 PolarHBondContact O-N 3.15Å
141	A	73.1	Confident	81.1	Confident	60 Å²	60	97.4 Å²	97.4	50%	0.496	48%	0.484	S	S	.	.	H	α-helix	trans	-60.3	-40.1	174.6	0	0	0	0	0	112.2	A137 E138 Q143 K144	A137-A141 WeakPolarHBondContact O-CB 3.19Å; A137-A141 PolarHBondContact O-N 2.86Å; E138-A141 PolarHBondContact O-N 2.94Å; A141-Q143 VanDerWaalsContact C-N 3.33Å; A141-Q143 PolarHBondContact O-N 2.97Å; A141-K144 VanDerWaalsContact O-CB 3.28Å; A141-K144 WeakPolarHBondContact O-CB 3.32Å; A141-K144 PolarHBondContact O-N 2.78Å
142	K	71.4	Confident	81.2	Confident	60 Å²	60	94.4 Å²	94.4	26%	0.261	48%	0.477	S	S	.	.	H	α-helix	trans	-64.9	-32.5	174.2	-76.4	171.4	179.5	173.5	0	113.4	E138 E140 L159	E138-K142 HydrophobicContact CG-CD 4.44Å; E138-K142 WeakPolarHBondContact O-CB 3.39Å; E138-K142 VanDerWaalsContact O-CG 3.23Å; E138-K142 WeakPolarHBondContact O-CG 3.49Å; E138-K142 PolarHBondContact O-N 3.03Å; E138-K142 VanDerWaalsContact OE1-CE 3.23Å; E138-K142 WeakPolarHBondContact OE1-CE 3.49Å; E138-K142 IonicContact OE1-NZ 2.82Å; E138-K142 PolarHBondContact OE1-NZ 3.33Å; E140-K142 VanDerWaalsContact C-N 3.32Å; E140-K142 PolarHBondContact O-N 3.04Å; K142-L159 HydrophobicContact CB-CB 4.1Å; K142-L159 HydrophobicContact CB-CD1 4.48Å; K142-L159 HydrophobicContact CB-CD2 4.47Å; K142-L159 HydrophobicContact CD-CD1 4.07Å; K142-L159 HydrophobicContact CG-CB 4.45Å; K142-L159 HydrophobicContact CG-CD1 4.04Å; K142-L159 WeakPolarHBondContact O-CB 3.31Å; K142-L159 PolarHBondContact O-N 3.04Å
143	Q	71.2	Confident	81.4	Confident	105 Å²	105	93 Å²	93	49%	0.491	47%	0.465	S	S	.	.	H	α-helix	trans	-87.5	-11.4	176.8	-74.6	173.2	89.3	0	0	113.9	Q139 E140 A141 V145	Q139-Q143 WeakPolarHBondContact O-CB 3.49Å; Q139-Q143 WeakPolarHBondContact O-CG 3.38Å; Q139-Q143 PolarHBondContact O-N 3.03Å; Q139-Q143 VanDerWaalsContact O-N 3.1Å; Q139-Q143 PolarHBondContact O-NE2 3.2Å; E140-Q143 CarbonylContact O-C 3.59Å; E140-Q143 PolarHBondContact O-N 3.01Å; E140-Q143 VanDerWaalsContact O-N 3.13Å; A141-Q143 VanDerWaalsContact C-N 3.33Å; A141-Q143 PolarHBondContact O-N 2.97Å; Q143-V145 PolarHBondContact O-N 3.11Å
144	K	79.1	Confident	81.8	Confident	138 Å²	138	85.7 Å²	85.7	60%	0.6	43%	0.433	S	S	*	.	S	Bend	trans	-52.9	128.3	175.5	-173.8	-179.8	179.4	-177.4	0	109.8	E140 A141 S146 H157 N158	E140-K144 PolarHBondContact O-N 3.15Å; A141-K144 VanDerWaalsContact O-CB 3.28Å; A141-K144 WeakPolarHBondContact O-CB 3.32Å; A141-K144 PolarHBondContact O-N 2.78Å; K144-S146 PolarHBondContact O-N 3.13Å; K144-H157 WeakPolarHBondContact O-CA 3.39Å; K144-N158 PolarHBondContact O-N 3.43Å; K144-N158 PolarHBondContact O-ND2 3.34Å
145	V	81.2	Confident	82.1	Confident	70 Å²	70	79.5 Å²	79.5	42%	0.424	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	133.9	177.5	178.5	0	0	0	0	110.1	Q143 K148 I155 K156	Q143-V145 PolarHBondContact O-N 3.11Å; V145-K148 HydrophobicContact CG1-CG 4.2Å; V145-I155 HydrophobicContact CB-CG2 4.21Å; V145-I155 HydrophobicContact CG1-CG2 3.63Å; V145-I155 HydrophobicContact CG2-CG2 3.6Å; V145-K156 WeakPolarHBondContact CA-O 3.4Å
146	S	81.8	Confident	82.7	Confident	50 Å²	50	74 Å²	74	35%	0.35	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-33.7	178.7	61.1	0	0	0	0	112.7	K144 K156 H157 N158	K144-S146 PolarHBondContact O-N 3.13Å; S146-K156 PolarHBondContact N-O 2.89Å; S146-K156 WeakPolarHBondContact OG-CB 3.29Å; S146-K156 WeakPolarHBondContact OG-CD 3.3Å; S146-K156 VanDerWaalsContact OG-CG 3.25Å; S146-K156 WeakPolarHBondContact OG-CG 3.41Å; S146-K156 PolarHBondContact OG-O 2.98Å; S146-H157 PolarHBondContact OG-O 3.34Å; S146-N158 WeakPolarHBondContact CB-OD1 3.4Å
147	A	84.5	Confident	83.2	Confident	27 Å²	27	70.2 Å²	70.2	22%	0.223	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	167.8	175.9	0	0	0	0	0	111	K156	A147-K156 HydrophobicContact CB-CB 3.94Å; A147-K156 HydrophobicContact CB-CD 4.06Å; A147-K156 PolarHBondContact O-N 3.39Å
148	K	86.9	Confident	83.5	Confident	129 Å²	129	71 Å²	71	56%	0.561	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	145.4	170.2	-65.1	-173.3	-179.9	-179.8	0	109.6	V145 W154 I155	V145-K148 HydrophobicContact CG1-CG 4.2Å; K148-W154 WeakPolarHBondContact CA-O 3.18Å; K148-I155 HydrophobicContact CG-CG1 4.32Å; K148-I155 HydrophobicContact CG-CG2 4.39Å
149	S	88.1	Confident	84	Confident	6 Å²	6	68.8 Å²	68.8	4%	0.042	36%	0.356	C	S	.	.			trans	-66.3	158.2	172.7	63.4	0	0	0	0	111.5	C151 S152 W154	S149-C151 PolarHBondContact O-N 3.17Å; S149-C151 VanDerWaalsContact O-N 3.16Å; S149-C151 PolarHBondContact OG-SG 2.72Å; S149-S152 WeakPolarHBondContact O-CA 3.48Å; S149-S152 PolarHBondContact O-N 2.72Å; S149-W154 PolarHBondContact N-O 3.12Å; S149-W154 WeakPolarHBondContact OG-CB 3.45Å; S149-W154 PolarHBondContact OG-N 3.28Å; S149-W154 PolarHBondContact OG-O 3.45Å
150	K	84.8	Confident	84.6	Confident	217 Å²	217	71 Å²	71	94%	0.943	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.8	179.6	-171.9	169.2	-176.8	168.6	0	113.6	S152	K150-S152 VanDerWaalsContact C-N 3.3Å
151	C	86.3	Confident	85.1	Confident	80 Å²	80	68.3 Å²	68.3	54%	0.541	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-0.3	173.7	58.7	0	0	0	0	114.2	S149 R153	S149-C151 PolarHBondContact O-N 3.17Å; S149-C151 VanDerWaalsContact O-N 3.16Å; S149-C151 PolarHBondContact OG-SG 2.72Å; C151-R153 PolarHBondContact O-N 2.87Å
152	S	85.7	Confident	85.5	Confident	75 Å²	75	66.8 Å²	66.8	52%	0.524	34%	0.344	S	S	.	.	S	Bend	trans	57.1	0.6	-174.6	-64.8	0	0	0	0	116.8	S149 K150 S175	S149-S152 WeakPolarHBondContact O-CA 3.48Å; S149-S152 PolarHBondContact O-N 2.72Å; K150-S152 VanDerWaalsContact C-N 3.3Å; S152-S175 PolarHBondContact O-OG 3.24Å
153	R	93.2	Very high	85.9	Confident	65 Å²	65	68.8 Å²	68.8	25%	0.245	35%	0.354	C	S	.	.			trans	-68.4	-49	176.3	179.8	172.6	-179.3	177.8	-1.2	112.3	C151 D174 S175 V176 E177	C151-R153 PolarHBondContact O-N 2.87Å; R153-D174 IonicContact CZ-OD1 2.78Å; R153-D174 IonicContact CZ-OD2 3.31Å; R153-D174 IonicContact NE-OD1 3.62Å; R153-D174 PolarHBondContact NE-OD1 3.16Å; R153-D174 IonicContact NE-OD2 3.58Å; R153-D174 PolarHBondContact NE-OD2 3.15Å; R153-D174 IonicContact NH2-OD1 2.75Å; R153-D174 PolarHBondContact NH2-OD1 3.46Å; R153-D174 IonicContact NH2-OD2 2.61Å; R153-D174 PolarHBondContact NH2-OD2 2.88Å; R153-S175 WeakPolarHBondContact CA-OG 3.42Å; R153-S175 WeakPolarHBondContact O-CB 3.48Å; R153-S175 PolarHBondContact O-N 3.39Å; R153-S175 PolarHBondContact O-OG 2.84Å; R153-V176 HydrophobicContact CB-CG2 4.42Å; R153-V176 HydrophobicContact CG-CB 4.27Å; R153-V176 HydrophobicContact CG-CG2 3.88Å; R153-E177 IonicContact CZ-OE1 3.83Å; R153-E177 IonicContact NH2-OE1 2.65Å; R153-E177 PolarHBondContact NH2-OE1 3.4Å
154	W	94.9	Very high	85.7	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.008	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128.9	-174.5	-44.5	115.6	0	0	0	109.4	K148 S149 D174 V181 W183 F217 D218 F220 I241	K148-W154 WeakPolarHBondContact CA-O 3.18Å; S149-W154 PolarHBondContact N-O 3.12Å; S149-W154 WeakPolarHBondContact OG-CB 3.45Å; S149-W154 PolarHBondContact OG-N 3.28Å; S149-W154 PolarHBondContact OG-O 3.45Å; W154-D174 HydrophobicContact CE3-CB 4Å; W154-D174 WeakPolarHBondContact CH2-OD2 3.47Å; W154-D174 HydrophobicContact CZ3-CB 3.63Å; W154-D174 WeakPolarHBondContact CZ3-OD2 3.33Å; W154-V181 HydrophobicContact CZ3-CG1 4.23Å; W154-W183 HydrophobicContact CB-CE3 4.18Å; W154-W183 HydrophobicContact CB-CZ3 3.76Å; W154-F217 HydrophobicContact CH2-CB 3.66Å; W154-F217 HydrophobicContact CH2-CG 4.36Å; W154-F217 HydrophobicContact CZ2-CB 4.12Å; W154-F217 HydrophobicContact CZ3-CB 4.37Å; W154-D218 HydrophobicContact CZ2-CB 3.76Å; W154-D218 PolarHBondContact NE1-OD2 2.98Å; W154-F220 AromaticContact CD1-CE1 3.67Å; W154-F220 HydrophobicContact CG-CE1 4.4Å; W154-I241 HydrophobicContact CB-CD1 4.11Å; W154-I241 HydrophobicContact CB-CG1 4.24Å; W154-I241 HydrophobicContact CD2-CB 4.36Å; W154-I241 HydrophobicContact CD2-CG1 4Å; W154-I241 HydrophobicContact CD2-CG2 3.96Å; W154-I241 HydrophobicContact CE3-CG2 3.64Å; W154-I241 HydrophobicContact CG-CD1 4.26Å; W154-I241 HydrophobicContact CG-CG1 3.83Å; W154-I241 HydrophobicContact CH2-CG2 4.36Å; W154-I241 HydrophobicContact CZ3-CG2 3.82Å
155	I	92.4	Very high	85	Confident	24 Å²	24	61.5 Å²	61.5	12%	0.123	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.9	-179.6	-55.8	-177.6	0	0	0	107.7	V145 K148 G172 Y173	V145-I155 HydrophobicContact CB-CG2 4.21Å; V145-I155 HydrophobicContact CG1-CG2 3.63Å; V145-I155 HydrophobicContact CG2-CG2 3.6Å; K148-I155 HydrophobicContact CG-CG1 4.32Å; K148-I155 HydrophobicContact CG-CG2 4.39Å; I155-G172 CarbonylContact O-C 3.11Å; I155-G172 WeakPolarHBondContact O-CA 3.47Å; I155-Y173 PolarHBondContact N-O 3.15Å; I155-Y173 PolarHBondContact O-N 3.42Å
156	K	93.5	Very high	84.4	Confident	17 Å²	17	65.6 Å²	65.6	7%	0.074	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137.1	173.5	-168.2	-169.4	176.4	-179.8	0	109.1	V145 S146 A147 Y170 W183 E185	V145-K156 WeakPolarHBondContact CA-O 3.4Å; S146-K156 PolarHBondContact N-O 2.89Å; S146-K156 WeakPolarHBondContact OG-CB 3.29Å; S146-K156 WeakPolarHBondContact OG-CD 3.3Å; S146-K156 VanDerWaalsContact OG-CG 3.25Å; S146-K156 WeakPolarHBondContact OG-CG 3.41Å; S146-K156 PolarHBondContact OG-O 2.98Å; A147-K156 HydrophobicContact CB-CB 3.94Å; A147-K156 HydrophobicContact CB-CD 4.06Å; A147-K156 PolarHBondContact O-N 3.39Å; K156-Y170 HydrophobicContact CD-CG 4.46Å; K156-Y170 HydrophobicContact CG-CG 4.44Å; K156-Y170 VanDerWaalsContact NZ-CE2 3.34Å; K156-W183 HydrophobicContact CB-CD2 3.72Å; K156-W183 HydrophobicContact CB-CE3 3.81Å; K156-W183 HydrophobicContact CB-CG 4.23Å; K156-W183 HydrophobicContact CB-CH2 4.22Å; K156-W183 HydrophobicContact CB-CZ2 4.13Å; K156-W183 HydrophobicContact CB-CZ3 4.06Å; K156-W183 HydrophobicContact CD-CD2 4.32Å; K156-W183 HydrophobicContact CD-CG 4.36Å; K156-W183 HydrophobicContact CD-CZ2 4.35Å; K156-W183 HydrophobicContact CG-CB 4.48Å; K156-W183 HydrophobicContact CG-CD2 3.87Å; K156-W183 HydrophobicContact CG-CE3 4.45Å; K156-W183 HydrophobicContact CG-CG 3.87Å; K156-E185 WeakPolarHBondContact CD-OE1 3.39Å; K156-E185 VanDerWaalsContact CE-OE1 3.29Å; K156-E185 WeakPolarHBondContact CE-OE1 3.45Å; K156-E185 IonicContact NZ-OE1 2.88Å; K156-E185 PolarHBondContact NZ-OE1 3.35Å; K156-E185 IonicContact NZ-OE2 3.56Å; K156-E185 PolarHBondContact NZ-OE2 3.34Å
157	H	90.8	Very high	84.4	Confident	18 Å²	18	64.8 Å²	64.8	8%	0.083	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	163.6	170.4	-52.4	154.8	0	0	0	110.9	K144 S146 L159 R171	K144-H157 WeakPolarHBondContact O-CA 3.39Å; S146-H157 PolarHBondContact OG-O 3.34Å; H157-L159 PolarHBondContact O-N 3.32Å; H157-R171 WeakPolarHBondContact CB-O 3.48Å; H157-R171 PolarHBondContact N-O 3.37Å
158	N	85.7	Confident	84.4	Confident	71 Å²	71	66.1 Å²	66.1	38%	0.38	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-15	178.9	-76.3	-73.8	0	0	0	114.1	K144 S146 K160	K144-N158 PolarHBondContact O-N 3.43Å; K144-N158 PolarHBondContact O-ND2 3.34Å; S146-N158 WeakPolarHBondContact CB-OD1 3.4Å; N158-K160 PolarHBondContact O-N 3.19Å; N158-K160 VanDerWaalsContact O-N 3.07Å
159	L	86.6	Confident	84.5	Confident	42 Å²	42	61 Å²	61	22%	0.22	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	99.9	177.3	-179.7	61.7	0	0	0	112.3	K142 H157 I161 Y170 R171	K142-L159 HydrophobicContact CB-CB 4.1Å; K142-L159 HydrophobicContact CB-CD1 4.48Å; K142-L159 HydrophobicContact CB-CD2 4.47Å; K142-L159 HydrophobicContact CD-CD1 4.07Å; K142-L159 HydrophobicContact CG-CB 4.45Å; K142-L159 HydrophobicContact CG-CD1 4.04Å; K142-L159 WeakPolarHBondContact O-CB 3.31Å; K142-L159 PolarHBondContact O-N 3.04Å; H157-L159 PolarHBondContact O-N 3.32Å; L159-I161 HydrophobicContact CD2-CG2 3.91Å; L159-I161 HydrophobicContact CG-CG2 3.74Å; L159-I161 PolarHBondContact O-N 2.97Å; L159-Y170 CarbonylContact O-C 3.57Å; L159-Y170 WeakPolarHBondContact O-CA 3.37Å; L159-R171 HydrophobicContact CB-CB 4.34Å; L159-R171 HydrophobicContact CD2-CB 4.27Å; L159-R171 HydrophobicContact CG-CB 4.49Å; L159-R171 PolarHBondContact O-N 3.14Å
160	K	88.5	Confident	84.7	Confident	100 Å²	100	62.4 Å²	62.4	44%	0.435	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	121	159	-171.1	169.6	67.2	174.3	0	108.2	N158 E163 F168 V169 Y170	N158-K160 PolarHBondContact O-N 3.19Å; N158-K160 VanDerWaalsContact O-N 3.07Å; K160-E163 IonicContact NZ-OE2 3.16Å; K160-E163 PolarHBondContact NZ-OE2 3.45Å; K160-F168 HydrophobicContact CD-CD1 4.07Å; K160-V169 CarbonylContact C-O 3.58Å; K160-Y170 HydrophobicContact CB-CD1 3.92Å; K160-Y170 HydrophobicContact CB-CE1 3.78Å; K160-Y170 HydrophobicContact CG-CE1 4.25Å
161	I	87	Confident	85.1	Confident	78 Å²	78	55.6 Å²	55.6	40%	0.4	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-16	179.7	59.7	174	0	0	0	112.9	L159 V169 R171 L244	L159-I161 HydrophobicContact CD2-CG2 3.91Å; L159-I161 HydrophobicContact CG-CG2 3.74Å; L159-I161 PolarHBondContact O-N 2.97Å; I161-V169 HydrophobicContact CD1-CG1 3.86Å; I161-V169 HydrophobicContact CG1-CB 4.15Å; I161-V169 HydrophobicContact CG1-CG1 3.74Å; I161-V169 WeakPolarHBondContact CG1-O 3.48Å; I161-V169 PolarHBondContact N-O 3.35Å; I161-R171 HydrophobicContact CG2-CB 4.05Å; I161-L244 HydrophobicContact CD1-CD1 3.36Å
162	G	81	Confident	85.5	Confident	29 Å²	29	51.8 Å²	51.8	30%	0.299	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	162.5	176.3	0	0	0	0	0	112.4	V169	G162-V169 PolarHBondContact N-O 3.27Å; G162-V169 VanDerWaalsContact N-O 3.11Å; G162-V169 PolarHBondContact O-N 3.42Å
163	E	80.5	Confident	85.9	Confident	101 Å²	101	52 Å²	52	47%	0.472	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	139.7	173.9	-177.6	169.8	163.6	0	0	109.1	K160 F168 K187	K160-E163 IonicContact NZ-OE2 3.16Å; K160-E163 PolarHBondContact NZ-OE2 3.45Å; E163-F168 HydrophobicContact CB-CD1 4.38Å; E163-F168 VanDerWaalsContact CD-CD1 3.5Å; E163-F168 HydrophobicContact CG-CD1 3.73Å; E163-F168 HydrophobicContact CG-CE1 4.02Å; E163-F168 VanDerWaalsContact OE1-CE1 3.31Å; E163-F168 WeakPolarHBondContact OE1-CE1 3.5Å; E163-F168 WeakPolarHBondContact OE2-CD1 3.49Å; E163-F168 WeakPolarHBondContact OE2-CE1 3.44Å; E163-K187 WeakPolarHBondContact OE1-CE 3.45Å; E163-K187 IonicContact OE1-NZ 2.77Å; E163-K187 PolarHBondContact OE1-NZ 3.48Å
164	G	66.5	Low	86	Confident	29 Å²	29	48.9 Å²	48.9	30%	0.299	25%	0.252	S	S	.	.			trans	-127.3	-177.6	172.6	0	0	0	0	0	111.5	Y166 K167 K187	G164-Y166 PolarHBondContact O-N 3.13Å; G164-Y166 VanDerWaalsContact O-N 3.16Å; G164-K167 PolarHBondContact N-O 2.73Å; G164-K187 PolarHBondContact O-NZ 2.78Å
165	G	66.2	Low	85.8	Confident	62 Å²	62	51.7 Å²	51.7	64%	0.639	27%	0.271	S	S	*	.	S	Bend	trans	-53.6	-37.7	-178.9	0	0	0	0	0	113.7	K187	G165-K187 WeakPolarHBondContact O-CD 3.43Å
166	Y	67.8	Low	85.9	Confident	155 Å²	155	55.5 Å²	55.5	61%	0.608	30%	0.296	S	S	*	.	S	Bend	trans	-122.7	3.3	-173.2	-50.8	-70	0	0	0	115	G164 F186 K187	G164-Y166 PolarHBondContact O-N 3.13Å; G164-Y166 VanDerWaalsContact O-N 3.16Å; Y166-F186 WeakPolarHBondContact O-CA 3.37Å; Y166-F186 WeakPolarHBondContact O-CD1 3.33Å; Y166-K187 PolarHBondContact O-N 2.79Å
167	K	80.6	Confident	85.8	Confident	33 Å²	33	59.6 Å²	59.6	14%	0.143	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	153.5	-176.9	69.5	178.8	-177.8	-177.6	0	113.7	G164 V169 E185 F186 D319	G164-K167 PolarHBondContact N-O 2.73Å; K167-V169 HydrophobicContact CD-CG2 4.21Å; K167-V169 HydrophobicContact CG-CG2 4.44Å; K167-E185 CarbonylContact C-O 3.59Å; K167-E185 VanDerWaalsContact CA-O 3.23Å; K167-E185 WeakPolarHBondContact CA-O 3.36Å; K167-E185 WeakPolarHBondContact CB-O 3.45Å; K167-F186 HydrophobicContact CB-CD1 4.47Å; K167-D319 VanDerWaalsContact CE-OD2 3.32Å; K167-D319 WeakPolarHBondContact CE-OD2 3.4Å; K167-D319 IonicContact NZ-OD1 2.67Å; K167-D319 PolarHBondContact NZ-OD1 3.33Å; K167-D319 IonicContact NZ-OD2 2.87Å; K167-D319 PolarHBondContact NZ-OD2 2.94Å
168	F	85.2	Confident	85.9	Confident	56 Å²	56	61.9 Å²	61.9	25%	0.246	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	142.1	163.2	-55.2	-77.9	0	0	0	109.2	K160 E163 Y170 C184 E185 K187	K160-F168 HydrophobicContact CD-CD1 4.07Å; E163-F168 HydrophobicContact CB-CD1 4.38Å; E163-F168 VanDerWaalsContact CD-CD1 3.5Å; E163-F168 HydrophobicContact CG-CD1 3.73Å; E163-F168 HydrophobicContact CG-CE1 4.02Å; E163-F168 VanDerWaalsContact OE1-CE1 3.31Å; E163-F168 WeakPolarHBondContact OE1-CE1 3.5Å; E163-F168 WeakPolarHBondContact OE2-CD1 3.49Å; E163-F168 WeakPolarHBondContact OE2-CE1 3.44Å; F168-Y170 HydrophobicContact CB-CD2 4.24Å; F168-Y170 HydrophobicContact CB-CE2 3.52Å; F168-Y170 HydrophobicContact CG-CE2 4.4Å; F168-C184 CarbonylContact O-C 3.56Å; F168-C184 WeakPolarHBondContact O-CA 3.48Å; F168-E185 PolarHBondContact N-O 3.13Å; F168-E185 PolarHBondContact O-N 3.42Å; F168-K187 HydrophobicContact CD2-CG 4.02Å; F168-K187 HydrophobicContact CE2-CD 4.35Å; F168-K187 HydrophobicContact CE2-CG 3.54Å; F168-K187 HydrophobicContact CZ-CD 4.29Å; F168-K187 VanDerWaalsContact CZ-CE 3.44Å; F168-K187 HydrophobicContact CZ-CG 3.96Å
169	V	89.5	Confident	86.2	Confident	21 Å²	21	61.2 Å²	61.2	13%	0.127	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.4	176.3	-169.8	0	0	0	0	109	K160 I161 G162 K167 A182	K160-V169 CarbonylContact C-O 3.58Å; I161-V169 HydrophobicContact CD1-CG1 3.86Å; I161-V169 HydrophobicContact CG1-CB 4.15Å; I161-V169 HydrophobicContact CG1-CG1 3.74Å; I161-V169 WeakPolarHBondContact CG1-O 3.48Å; I161-V169 PolarHBondContact N-O 3.35Å; G162-V169 PolarHBondContact N-O 3.27Å; G162-V169 VanDerWaalsContact N-O 3.11Å; G162-V169 PolarHBondContact O-N 3.42Å; K167-V169 HydrophobicContact CD-CG2 4.21Å; K167-V169 HydrophobicContact CG-CG2 4.44Å; V169-A182 HydrophobicContact CG1-CB 4.06Å
170	Y	92	Very high	86.5	Confident	36 Å²	36	62.4 Å²	62.4	14%	0.141	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	153.9	178.3	-63	-95	0	0	0	110.5	K156 L159 K160 F168 W183 E185	K156-Y170 HydrophobicContact CD-CG 4.46Å; K156-Y170 HydrophobicContact CG-CG 4.44Å; K156-Y170 VanDerWaalsContact NZ-CE2 3.34Å; L159-Y170 CarbonylContact O-C 3.57Å; L159-Y170 WeakPolarHBondContact O-CA 3.37Å; K160-Y170 HydrophobicContact CB-CD1 3.92Å; K160-Y170 HydrophobicContact CB-CE1 3.78Å; K160-Y170 HydrophobicContact CG-CE1 4.25Å; F168-Y170 HydrophobicContact CB-CD2 4.24Å; F168-Y170 HydrophobicContact CB-CE2 3.52Å; F168-Y170 HydrophobicContact CG-CE2 4.4Å; Y170-W183 PolarHBondContact N-O 3.38Å; Y170-W183 PolarHBondContact O-N 2.94Å; Y170-E185 HydrophobicContact CD2-CG 4.35Å; Y170-E185 HydrophobicContact CE2-CG 4.32Å
171	R	92.8	Very high	86.8	Confident	73 Å²	73	57.7 Å²	57.7	28%	0.275	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	135.5	164.5	-172.7	172	179.4	166.7	-2	109.1	H157 L159 I161 N180 L244	H157-R171 WeakPolarHBondContact CB-O 3.48Å; H157-R171 PolarHBondContact N-O 3.37Å; L159-R171 HydrophobicContact CB-CB 4.34Å; L159-R171 HydrophobicContact CD2-CB 4.27Å; L159-R171 HydrophobicContact CG-CB 4.49Å; L159-R171 PolarHBondContact O-N 3.14Å; I161-R171 HydrophobicContact CG2-CB 4.05Å; R171-N180 VanDerWaalsContact CZ-OD1 3.31Å; R171-N180 PolarHBondContact NE-OD1 3Å; R171-N180 PolarHBondContact NH2-OD1 3.29Å; R171-L244 HydrophobicContact CG-CD2 4.28Å
172	G	94.1	Very high	87.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	-176.3	171.9	0	0	0	0	0	112.4	I155 V181	I155-G172 CarbonylContact O-C 3.11Å; I155-G172 WeakPolarHBondContact O-CA 3.47Å; G172-V181 VanDerWaalsContact C-CG2 3.48Å; G172-V181 PolarHBondContact N-O 3.39Å; G172-V181 PolarHBondContact O-N 3.42Å
173	Y	94.3	Very high	87.7	Confident	80 Å²	80	53 Å²	53	31%	0.314	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	142.2	-178.6	-171.2	-103	0	0	0	111.8	I155 A178 R179	I155-Y173 PolarHBondContact N-O 3.15Å; I155-Y173 PolarHBondContact O-N 3.42Å; Y173-A178 WeakPolarHBondContact OH-CA 3.47Å; Y173-R179 WeakPolarHBondContact CA-O 3.46Å; Y173-R179 VanDerWaalsContact CD2-O 3.27Å; Y173-R179 WeakPolarHBondContact CD2-O 3.36Å
174	D	95.4	Very high	88.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	107.2	172.3	-172	-22.8	0	0	0	108.9	R153 W154 V176 E177 A178 R179 V181	R153-D174 IonicContact CZ-OD1 2.78Å; R153-D174 IonicContact CZ-OD2 3.31Å; R153-D174 IonicContact NE-OD1 3.62Å; R153-D174 PolarHBondContact NE-OD1 3.16Å; R153-D174 IonicContact NE-OD2 3.58Å; R153-D174 PolarHBondContact NE-OD2 3.15Å; R153-D174 IonicContact NH2-OD1 2.75Å; R153-D174 PolarHBondContact NH2-OD1 3.46Å; R153-D174 IonicContact NH2-OD2 2.61Å; R153-D174 PolarHBondContact NH2-OD2 2.88Å; W154-D174 HydrophobicContact CE3-CB 4Å; W154-D174 WeakPolarHBondContact CH2-OD2 3.47Å; W154-D174 HydrophobicContact CZ3-CB 3.63Å; W154-D174 WeakPolarHBondContact CZ3-OD2 3.33Å; D174-V176 PolarHBondContact O-N 2.75Å; D174-V176 PolarHBondContact OD1-N 2.95Å; D174-E177 PolarHBondContact OD1-N 3.27Å; D174-A178 VanDerWaalsContact O-CA 3.26Å; D174-A178 WeakPolarHBondContact O-CA 3.39Å; D174-A178 PolarHBondContact O-N 3.05Å; D174-R179 HydrophobicContact CB-CG 3.71Å; D174-R179 PolarHBondContact N-O 3.12Å; D174-R179 IonicContact OD2-CZ 3.45Å; D174-R179 IonicContact OD2-NE 2.67Å; D174-R179 PolarHBondContact OD2-NE 3.24Å; D174-R179 IonicContact OD2-NH2 3.75Å; D174-R179 PolarHBondContact OD2-NH2 3.41Å; D174-V181 HydrophobicContact CB-CG1 4.29Å
175	S	92	Very high	89.2	Confident	60 Å²	60	47.6 Å²	47.6	42%	0.42	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-7.9	-177.6	69.3	0	0	0	0	114.1	S152 R153	S152-S175 PolarHBondContact O-OG 3.24Å; R153-S175 WeakPolarHBondContact CA-OG 3.42Å; R153-S175 WeakPolarHBondContact O-CB 3.48Å; R153-S175 PolarHBondContact O-N 3.39Å; R153-S175 PolarHBondContact O-OG 2.84Å
176	V	93	Very high	89.8	Confident	105 Å²	105	45.6 Å²	45.6	64%	0.636	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-48.8	-179.1	176.1	0	0	0	0	111.6	R153 D174	R153-V176 HydrophobicContact CB-CG2 4.42Å; R153-V176 HydrophobicContact CG-CB 4.27Å; R153-V176 HydrophobicContact CG-CG2 3.88Å; D174-V176 PolarHBondContact O-N 2.75Å; D174-V176 PolarHBondContact OD1-N 2.95Å
177	E	92.6	Very high	90.1	Very high	102 Å²	102	41.1 Å²	41.1	48%	0.477	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	7.2	176.6	-67.3	179.6	-119.2	0	0	113.5	R153 D174 R179	R153-E177 IonicContact CZ-OE1 3.83Å; R153-E177 IonicContact NH2-OE1 2.65Å; R153-E177 PolarHBondContact NH2-OE1 3.4Å; D174-E177 PolarHBondContact OD1-N 3.27Å; E177-R179 VanDerWaalsContact C-N 3.26Å; E177-R179 HydrophobicContact CB-CG 4.47Å; E177-R179 PolarHBondContact O-N 3.2Å; E177-R179 VanDerWaalsContact O-N 3.14Å; E177-R179 IonicContact OE1-CZ 3.52Å; E177-R179 IonicContact OE1-NH1 2.73Å; E177-R179 IonicContact OE1-NH2 2.89Å; E177-R179 PolarHBondContact OE1-NH2 3.38Å; E177-R179 IonicContact OE2-CZ 2.75Å; E177-R179 VanDerWaalsContact OE2-CZ 3.23Å; E177-R179 IonicContact OE2-NH1 3.43Å; E177-R179 PolarHBondContact OE2-NH1 3.13Å; E177-R179 IonicContact OE2-NH2 3.2Å; E177-R179 PolarHBondContact OE2-NH2 2.86Å; E177-R179 VanDerWaalsContact OE2-NH2 3.08Å
178	A	91.5	Very high	89.5	Confident	67 Å²	67	44.7 Å²	44.7	55%	0.554	23%	0.227	S	C	*	.			trans	53.9	32.5	172.8	0	0	0	0	0	115.7	Y173 D174	Y173-A178 WeakPolarHBondContact OH-CA 3.47Å; D174-A178 VanDerWaalsContact O-CA 3.26Å; D174-A178 WeakPolarHBondContact O-CA 3.39Å; D174-A178 PolarHBondContact O-N 3.05Å
179	R	92.3	Very high	88.5	Confident	56 Å²	56	43.2 Å²	43.2	21%	0.211	22%	0.222	C	C	.	.			trans	-113.5	155.9	-178.7	61.2	164.3	169.8	-107.3	-24.1	113	Y173 D174 E177 V181	Y173-R179 WeakPolarHBondContact CA-O 3.46Å; Y173-R179 VanDerWaalsContact CD2-O 3.27Å; Y173-R179 WeakPolarHBondContact CD2-O 3.36Å; D174-R179 HydrophobicContact CB-CG 3.71Å; D174-R179 PolarHBondContact N-O 3.12Å; D174-R179 IonicContact OD2-CZ 3.45Å; D174-R179 IonicContact OD2-NE 2.67Å; D174-R179 PolarHBondContact OD2-NE 3.24Å; D174-R179 IonicContact OD2-NH2 3.75Å; D174-R179 PolarHBondContact OD2-NH2 3.41Å; E177-R179 VanDerWaalsContact C-N 3.26Å; E177-R179 HydrophobicContact CB-CG 4.47Å; E177-R179 PolarHBondContact O-N 3.2Å; E177-R179 VanDerWaalsContact O-N 3.14Å; E177-R179 IonicContact OE1-CZ 3.52Å; E177-R179 IonicContact OE1-NH1 2.73Å; E177-R179 IonicContact OE1-NH2 2.89Å; E177-R179 PolarHBondContact OE1-NH2 3.38Å; E177-R179 IonicContact OE2-CZ 2.75Å; E177-R179 VanDerWaalsContact OE2-CZ 3.23Å; E177-R179 IonicContact OE2-NH1 3.43Å; E177-R179 PolarHBondContact OE2-NH1 3.13Å; E177-R179 IonicContact OE2-NH2 3.2Å; E177-R179 PolarHBondContact OE2-NH2 2.86Å; E177-R179 VanDerWaalsContact OE2-NH2 3.08Å; R179-V181 HydrophobicContact CG-CG1 4.24Å
180	N	93	Very high	87.5	Confident	68 Å²	68	46.9 Å²	46.9	36%	0.364	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	146.2	164	-62.7	-88.5	0	0	0	110	R171 L244	R171-N180 VanDerWaalsContact CZ-OD1 3.31Å; R171-N180 PolarHBondContact NE-OD1 3Å; R171-N180 PolarHBondContact NH2-OD1 3.29Å; N180-L244 HydrophobicContact CB-CB 4.49Å; N180-L244 HydrophobicContact CB-CD2 3.66Å
181	V	94.7	Very high	86.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	159.1	176.4	-66.7	0	0	0	0	110.5	W154 G172 D174 R179 F217 I241 Q242	W154-V181 HydrophobicContact CZ3-CG1 4.23Å; G172-V181 VanDerWaalsContact C-CG2 3.48Å; G172-V181 PolarHBondContact N-O 3.39Å; G172-V181 PolarHBondContact O-N 3.42Å; D174-V181 HydrophobicContact CB-CG1 4.29Å; R179-V181 HydrophobicContact CG-CG1 4.24Å; V181-F217 HydrophobicContact CG1-CD2 3.96Å; V181-F217 HydrophobicContact CG1-CE2 3.96Å; V181-I241 HydrophobicContact CB-CG2 3.77Å; V181-I241 HydrophobicContact CG1-CG2 4.03Å; V181-I241 HydrophobicContact CG2-CG2 3.75Å; V181-Q242 CarbonylContact C-O 3.4Å; V181-Q242 WeakPolarHBondContact CA-O 3.31Å; V181-Q242 WeakPolarHBondContact CB-O 3.24Å
182	A	93.8	Very high	85.5	Confident	7 Å²	7	49.9 Å²	49.9	6%	0.058	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	124.9	164.5	0	0	0	0	0	109	V169 I241 Q242 L244	V169-A182 HydrophobicContact CG1-CB 4.06Å; A182-I241 WeakPolarHBondContact O-CA 3.43Å; A182-Q242 HydrophobicContact CB-CB 4.33Å; A182-Q242 PolarHBondContact N-O 3.38Å; A182-Q242 PolarHBondContact O-N 3.45Å; A182-L244 HydrophobicContact CB-CD1 4.23Å
183	W	93.6	Very high	84.3	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	105.6	174.2	177.7	-64.8	0	0	0	107.7	W154 K156 Y170 E185 F220 V239 I241	W154-W183 HydrophobicContact CB-CE3 4.18Å; W154-W183 HydrophobicContact CB-CZ3 3.76Å; K156-W183 HydrophobicContact CB-CD2 3.72Å; K156-W183 HydrophobicContact CB-CE3 3.81Å; K156-W183 HydrophobicContact CB-CG 4.23Å; K156-W183 HydrophobicContact CB-CH2 4.22Å; K156-W183 HydrophobicContact CB-CZ2 4.13Å; K156-W183 HydrophobicContact CB-CZ3 4.06Å; K156-W183 HydrophobicContact CD-CD2 4.32Å; K156-W183 HydrophobicContact CD-CG 4.36Å; K156-W183 HydrophobicContact CD-CZ2 4.35Å; K156-W183 HydrophobicContact CG-CB 4.48Å; K156-W183 HydrophobicContact CG-CD2 3.87Å; K156-W183 HydrophobicContact CG-CE3 4.45Å; K156-W183 HydrophobicContact CG-CG 3.87Å; Y170-W183 PolarHBondContact N-O 3.38Å; Y170-W183 PolarHBondContact O-N 2.94Å; W183-E185 VanDerWaalsContact NE1-CG 3.31Å; W183-E185 PolarHBondContact NE1-OE1 3.33Å; W183-F220 HydrophobicContact CH2-CE2 4.19Å; W183-F220 AromaticContact CH2-CZ 3.72Å; W183-F220 HydrophobicContact CH2-CZ 3.72Å; W183-F220 HydrophobicContact CZ2-CE2 4.29Å; W183-F220 HydrophobicContact CZ2-CZ 4.07Å; W183-F220 HydrophobicContact CZ3-CZ 4.04Å; W183-V239 HydrophobicContact CD2-CG1 4.05Å; W183-V239 HydrophobicContact CG-CG1 4.28Å; W183-V239 HydrophobicContact CZ2-CG1 4.09Å; W183-I241 HydrophobicContact CB-CD1 4.28Å; W183-I241 HydrophobicContact CD2-CD1 3.8Å; W183-I241 HydrophobicContact CE3-CD1 3.48Å; W183-I241 VanDerWaalsContact CE3-CD1 3.48Å; W183-I241 HydrophobicContact CG-CD1 4.16Å; W183-I241 HydrophobicContact CZ3-CD1 4.14Å
184	C	90.8	Very high	83	Confident	4 Å²	4	57.1 Å²	57.1	3%	0.027	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.5	-176.5	-59.8	0	0	0	0	109.9	F168 V239 I240	F168-C184 CarbonylContact O-C 3.56Å; F168-C184 WeakPolarHBondContact O-CA 3.48Å; C184-V239 CarbonylContact O-C 3.55Å; C184-V239 VanDerWaalsContact O-CA 3.28Å; C184-V239 WeakPolarHBondContact O-CA 3.32Å; C184-I240 HydrophobicContact CB-CB 4.12Å; C184-I240 HydrophobicContact CB-CG1 4.49Å; C184-I240 PolarHBondContact N-O 2.76Å; C184-I240 PolarHBondContact O-N 2.73Å
185	E	87.4	Confident	82	Confident	12 Å²	12	58.2 Å²	58.2	6%	0.056	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.8	174.6	-52.2	-172.3	155	0	0	108.8	K156 K167 F168 Y170 W183 K236 V239	K156-E185 WeakPolarHBondContact CD-OE1 3.39Å; K156-E185 VanDerWaalsContact CE-OE1 3.29Å; K156-E185 WeakPolarHBondContact CE-OE1 3.45Å; K156-E185 IonicContact NZ-OE1 2.88Å; K156-E185 PolarHBondContact NZ-OE1 3.35Å; K156-E185 IonicContact NZ-OE2 3.56Å; K156-E185 PolarHBondContact NZ-OE2 3.34Å; K167-E185 CarbonylContact C-O 3.59Å; K167-E185 VanDerWaalsContact CA-O 3.23Å; K167-E185 WeakPolarHBondContact CA-O 3.36Å; K167-E185 WeakPolarHBondContact CB-O 3.45Å; F168-E185 PolarHBondContact N-O 3.13Å; F168-E185 PolarHBondContact O-N 3.42Å; Y170-E185 HydrophobicContact CD2-CG 4.35Å; Y170-E185 HydrophobicContact CE2-CG 4.32Å; W183-E185 VanDerWaalsContact NE1-CG 3.31Å; W183-E185 PolarHBondContact NE1-OE1 3.33Å; E185-K236 IonicContact OE1-NZ 2.65Å; E185-K236 PolarHBondContact OE1-NZ 2.97Å; E185-K236 IonicContact OE2-NZ 3.76Å; E185-K236 PolarHBondContact OE2-NZ 3.11Å; E185-V239 HydrophobicContact CG-CG2 4.33Å
186	F	78.7	Confident	81.1	Confident	21 Å²	21	58.8 Å²	58.8	9%	0.092	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	145.5	169	-74.3	-87.3	0	0	0	110.6	Y166 K167 M198 V238 I240	Y166-F186 WeakPolarHBondContact O-CA 3.37Å; Y166-F186 WeakPolarHBondContact O-CD1 3.33Å; K167-F186 HydrophobicContact CB-CD1 4.47Å; F186-M198 HydrophobicContact CB-CE 4.38Å; F186-M198 HydrophobicContact CB-SD 3.86Å; F186-M198 HydrophobicContact CD1-CE 3.58Å; F186-M198 HydrophobicContact CD1-SD 3.7Å; F186-M198 HydrophobicContact CD2-SD 3.83Å; F186-M198 HydrophobicContact CE1-CE 3.97Å; F186-M198 HydrophobicContact CE1-SD 4.14Å; F186-M198 HydrophobicContact CE2-CG 4.4Å; F186-M198 HydrophobicContact CE2-SD 4.23Å; F186-M198 HydrophobicContact CG-CE 4.01Å; F186-M198 HydrophobicContact CG-SD 3.52Å; F186-M198 VanDerWaalsContact CG-SD 3.52Å; F186-M198 HydrophobicContact CZ-CG 4.41Å; F186-M198 HydrophobicContact CZ-SD 4.38Å; F186-V238 HydrophobicContact CD2-CB 3.98Å; F186-V238 HydrophobicContact CD2-CG1 4.35Å; F186-V238 HydrophobicContact CE2-CG1 4.47Å; F186-V238 PolarHBondContact N-O 3.35Å; F186-V238 VanDerWaalsContact N-O 3.14Å; F186-I240 HydrophobicContact CE2-CD1 3.73Å; F186-I240 HydrophobicContact CE2-CG1 3.96Å; F186-I240 HydrophobicContact CZ-CD1 4.06Å
187	K	74.3	Confident	79.9	Confident	60 Å²	60	54.6 Å²	54.6	26%	0.261	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-63.1	154.1	168.2	-73.8	173.4	173.6	175.3	0	109	E163 G164 G165 Y166 F168 V189	E163-K187 WeakPolarHBondContact OE1-CE 3.45Å; E163-K187 IonicContact OE1-NZ 2.77Å; E163-K187 PolarHBondContact OE1-NZ 3.48Å; G164-K187 PolarHBondContact O-NZ 2.78Å; G165-K187 WeakPolarHBondContact O-CD 3.43Å; Y166-K187 PolarHBondContact O-N 2.79Å; F168-K187 HydrophobicContact CD2-CG 4.02Å; F168-K187 HydrophobicContact CE2-CD 4.35Å; F168-K187 HydrophobicContact CE2-CG 3.54Å; F168-K187 HydrophobicContact CZ-CD 4.29Å; F168-K187 VanDerWaalsContact CZ-CE 3.44Å; F168-K187 HydrophobicContact CZ-CG 3.96Å; K187-V189 WeakPolarHBondContact O-CG2 3.39Å; K187-V189 PolarHBondContact O-N 3.25Å
188	H	68.1	Low	78.9	Confident	108 Å²	108	51.7 Å²	51.7	50%	0.5	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-56.1	140.8	-173.1	-175.1	91.7	0	0	0	111.6	E234	H188-E234 IonicContact CE1-OE1 3.89Å; H188-E234 PolarHBondContact CE1-OE1 3.4Å
189	V	65.6	Low	78.2	Confident	25 Å²	25	50.1 Å²	50.1	15%	0.152	24%	0.241	C	C	.	.			trans	-126.5	103.6	-179.8	176.9	0	0	0	0	108	K187 T191 K194 R195 M198	K187-V189 WeakPolarHBondContact O-CG2 3.39Å; K187-V189 PolarHBondContact O-N 3.25Å; V189-T191 PolarHBondContact O-N 3.47Å; V189-K194 HydrophobicContact CG1-CB 3.34Å; V189-K194 HydrophobicContact CG1-CD 3.78Å; V189-K194 HydrophobicContact CG1-CG 4.23Å; V189-R195 HydrophobicContact CB-CG 3.9Å; V189-R195 HydrophobicContact CG1-CG 4.23Å; V189-R195 WeakPolarHBondContact O-CG 3.36Å; V189-R195 PolarHBondContact O-NE 2.78Å; V189-M198 HydrophobicContact CG2-CE 3.85Å; V189-M198 HydrophobicContact CG2-SD 4.35Å
190	D	68.1	Low	77.3	Confident	98 Å²	98	54 Å²	54	52%	0.524	26%	0.256	S	S	.	.	S	Bend	trans	-39.8	-62.5	-174.6	25.8	-80.9	0	0	0	113.7	K194 R195	D190-K194 IonicContact OD2-NZ 3.46Å; D190-K194 PolarHBondContact OD2-NZ 3.31Å; D190-R195 PolarHBondContact O-NH2 2.91Å
191	T	70	Confident	76.1	Confident	53 Å²	53	52.6 Å²	52.6	33%	0.325	25%	0.247	S	C	.	.			trans	-80.9	137.2	-176.8	73	0	0	0	0	113.8	V189 E193 K194 R195	V189-T191 PolarHBondContact O-N 3.47Å; T191-E193 PolarHBondContact O-N 3.24Å; T191-K194 PolarHBondContact O-N 3.49Å; T191-K194 WeakPolarHBondContact OG1-CB 3.42Å; T191-K194 VanDerWaalsContact OG1-CD 3.31Å; T191-K194 WeakPolarHBondContact OG1-CD 3.29Å; T191-K194 WeakPolarHBondContact OG1-CG 3.33Å; T191-K194 PolarHBondContact OG1-N 3.19Å; T191-R195 PolarHBondContact O-N 2.97Å; T191-R195 VanDerWaalsContact O-N 3.1Å
192	K	71.5	Confident	75.3	Confident	120 Å²	120	53 Å²	53	52%	0.522	25%	0.249	S	C	.	.	H	α-helix	trans	-59.4	-31.3	175.9	-175.9	177.2	-175.8	173.7	0	111.8	R195 Q196	K192-R195 WeakPolarHBondContact O-CB 3.27Å; K192-R195 PolarHBondContact O-N 3.28Å; K192-Q196 WeakPolarHBondContact O-CB 3.24Å; K192-Q196 WeakPolarHBondContact O-CG 3.42Å; K192-Q196 PolarHBondContact O-N 3.35Å
193	E	69.4	Low	74.5	Confident	122 Å²	122	57.1 Å²	57.1	57%	0.57	27%	0.267	S	S	*	.	H	α-helix	trans	-70.5	-43.5	-179	-64.3	60.1	-129.3	0	0	110.7	T191 Q196 A197	T191-E193 PolarHBondContact O-N 3.24Å; E193-Q196 PolarHBondContact O-N 3.1Å; E193-A197 WeakPolarHBondContact O-CB 3.36Å; E193-A197 PolarHBondContact O-N 2.87Å
194	K	67.8	Low	73.8	Confident	110 Å²	110	57.5 Å²	57.5	48%	0.478	27%	0.269	S	S	.	.	H	α-helix	trans	-62.5	-45.5	170.5	-72.5	170	-168.7	175.6	0	110.5	V189 D190 T191 Q196 A197 M198	V189-K194 HydrophobicContact CG1-CB 3.34Å; V189-K194 HydrophobicContact CG1-CD 3.78Å; V189-K194 HydrophobicContact CG1-CG 4.23Å; D190-K194 IonicContact OD2-NZ 3.46Å; D190-K194 PolarHBondContact OD2-NZ 3.31Å; T191-K194 PolarHBondContact O-N 3.49Å; T191-K194 WeakPolarHBondContact OG1-CB 3.42Å; T191-K194 VanDerWaalsContact OG1-CD 3.31Å; T191-K194 WeakPolarHBondContact OG1-CD 3.29Å; T191-K194 WeakPolarHBondContact OG1-CG 3.33Å; T191-K194 PolarHBondContact OG1-N 3.19Å; K194-Q196 VanDerWaalsContact C-N 3.33Å; K194-Q196 PolarHBondContact O-N 2.99Å; K194-A197 WeakPolarHBondContact O-CB 3.19Å; K194-A197 PolarHBondContact O-N 3.32Å; K194-A197 VanDerWaalsContact O-N 3.11Å; K194-M198 WeakPolarHBondContact O-CB 3.5Å; K194-M198 PolarHBondContact O-N 3.12Å
195	R	73.7	Confident	73.4	Confident	23 Å²	23	57.5 Å²	57.5	9%	0.087	27%	0.269	C	S	.	.	H	α-helix	trans	-56.2	-43.7	174.4	-78	180	-103.1	178	-4.8	112.2	V189 D190 T191 K192 F199 E235	V189-R195 HydrophobicContact CB-CG 3.9Å; V189-R195 HydrophobicContact CG1-CG 4.23Å; V189-R195 WeakPolarHBondContact O-CG 3.36Å; V189-R195 PolarHBondContact O-NE 2.78Å; D190-R195 PolarHBondContact O-NH2 2.91Å; T191-R195 PolarHBondContact O-N 2.97Å; T191-R195 VanDerWaalsContact O-N 3.1Å; K192-R195 WeakPolarHBondContact O-CB 3.27Å; K192-R195 PolarHBondContact O-N 3.28Å; R195-F199 WeakPolarHBondContact O-CB 3.47Å; R195-F199 PolarHBondContact O-N 3.39Å; R195-E235 PolarHBondContact NH1-O 3.06Å
196	Q	73.2	Confident	73.2	Confident	72 Å²	72	60.4 Å²	60.4	34%	0.336	28%	0.284	S	S	.	.	H	α-helix	trans	-70.6	-30.8	175.5	-72.8	-176.8	7.9	0	0	113.9	K192 E193 K194 R200	K192-Q196 WeakPolarHBondContact O-CB 3.24Å; K192-Q196 WeakPolarHBondContact O-CG 3.42Å; K192-Q196 PolarHBondContact O-N 3.35Å; E193-Q196 PolarHBondContact O-N 3.1Å; K194-Q196 VanDerWaalsContact C-N 3.33Å; K194-Q196 PolarHBondContact O-N 2.99Å; Q196-R200 PolarHBondContact O-N 3.48Å; Q196-R200 PolarHBondContact O-NE 3.48Å; Q196-R200 PolarHBondContact O-NH2 2.96Å
197	A	68.3	Low	73.3	Confident	17 Å²	17	66.1 Å²	66.1	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-67.3	-54	172.4	0	0	0	0	0	110.8	E193 K194 F199 R200 E201	E193-A197 WeakPolarHBondContact O-CB 3.36Å; E193-A197 PolarHBondContact O-N 2.87Å; K194-A197 WeakPolarHBondContact O-CB 3.19Å; K194-A197 PolarHBondContact O-N 3.32Å; K194-A197 VanDerWaalsContact O-N 3.11Å; A197-F199 VanDerWaalsContact C-N 3.33Å; A197-F199 PolarHBondContact O-N 3.14Å; A197-R200 PolarHBondContact O-N 2.76Å; A197-R200 VanDerWaalsContact O-N 3.12Å; A197-E201 PolarHBondContact O-N 2.91Å
198	M	71.1	Confident	73.9	Confident	41 Å²	41	63.6 Å²	63.6	20%	0.202	30%	0.298	C	S	.	.	H	α-helix	trans	-53	-46.9	176.3	175.2	-176.3	-82.5	0	0	111.9	F186 V189 K194 R200 E201 T202 V238	F186-M198 HydrophobicContact CB-CE 4.38Å; F186-M198 HydrophobicContact CB-SD 3.86Å; F186-M198 HydrophobicContact CD1-CE 3.58Å; F186-M198 HydrophobicContact CD1-SD 3.7Å; F186-M198 HydrophobicContact CD2-SD 3.83Å; F186-M198 HydrophobicContact CE1-CE 3.97Å; F186-M198 HydrophobicContact CE1-SD 4.14Å; F186-M198 HydrophobicContact CE2-CG 4.4Å; F186-M198 HydrophobicContact CE2-SD 4.23Å; F186-M198 HydrophobicContact CG-CE 4.01Å; F186-M198 HydrophobicContact CG-SD 3.52Å; F186-M198 VanDerWaalsContact CG-SD 3.52Å; F186-M198 HydrophobicContact CZ-CG 4.41Å; F186-M198 HydrophobicContact CZ-SD 4.38Å; V189-M198 HydrophobicContact CG2-CE 3.85Å; V189-M198 HydrophobicContact CG2-SD 4.35Å; K194-M198 WeakPolarHBondContact O-CB 3.5Å; K194-M198 PolarHBondContact O-N 3.12Å; M198-R200 PolarHBondContact O-N 3.28Å; M198-E201 PolarHBondContact O-N 3.23Å; M198-T202 VanDerWaalsContact O-CB 3.31Å; M198-T202 WeakPolarHBondContact O-CB 3.39Å; M198-T202 PolarHBondContact O-N 3.2Å; M198-T202 PolarHBondContact O-OG1 3.11Å; M198-V238 HydrophobicContact SD-CG2 4.45Å
199	F	76.7	Confident	74.9	Confident	34 Å²	34	63.3 Å²	63.3	15%	0.149	30%	0.301	C	S	.	.	H	α-helix	trans	-59.3	-43.7	178.2	-173.6	-86	0	0	0	112.6	R195 A197 T202 E203 V219 R221 V238	R195-F199 WeakPolarHBondContact O-CB 3.47Å; R195-F199 PolarHBondContact O-N 3.39Å; A197-F199 VanDerWaalsContact C-N 3.33Å; A197-F199 PolarHBondContact O-N 3.14Å; F199-T202 PolarHBondContact O-N 3.47Å; F199-E203 WeakPolarHBondContact O-CB 3.25Å; F199-E203 PolarHBondContact O-N 3.23Å; F199-V219 HydrophobicContact CD2-CG1 4.16Å; F199-V219 HydrophobicContact CE2-CG1 3.83Å; F199-V219 HydrophobicContact CZ-CG1 4.29Å; F199-R221 VanDerWaalsContact CB-NH2 3.31Å; F199-R221 VanDerWaalsContact CD1-NH2 3.29Å; F199-R221 HydrophobicContact CD2-CG 3.74Å; F199-R221 HydrophobicContact CE2-CG 3.69Å; F199-V238 HydrophobicContact CB-CG2 4.05Å; F199-V238 HydrophobicContact CD2-CG1 3.92Å; F199-V238 HydrophobicContact CD2-CG2 3.98Å
200	R	72.8	Confident	76.2	Confident	137 Å²	137	63.5 Å²	63.5	52%	0.517	30%	0.3	S	S	.	.	H	α-helix	trans	-70.9	-32.7	179.5	-76.9	175.1	-70.5	-161.5	-2.5	113.1	Q196 A197 M198	Q196-R200 PolarHBondContact O-N 3.48Å; Q196-R200 PolarHBondContact O-NE 3.48Å; Q196-R200 PolarHBondContact O-NH2 2.96Å; A197-R200 PolarHBondContact O-N 2.76Å; A197-R200 VanDerWaalsContact O-N 3.12Å; M198-R200 PolarHBondContact O-N 3.28Å
201	E	69	Low	77.3	Confident	39 Å²	39	62.3 Å²	62.3	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-70.6	-37.7	172.5	-71	174.3	165.7	0	0	110.6	A197 M198 I204 R331	A197-E201 PolarHBondContact O-N 2.91Å; M198-E201 PolarHBondContact O-N 3.23Å; E201-I204 VanDerWaalsContact O-CB 3.32Å; E201-I204 WeakPolarHBondContact O-CB 3.35Å; E201-I204 WeakPolarHBondContact O-CD1 3.4Å; E201-I204 WeakPolarHBondContact O-CG1 3.4Å; E201-I204 PolarHBondContact O-N 3.12Å; E201-R331 IonicContact OE1-CZ 3.24Å; E201-R331 IonicContact OE1-NH1 3.69Å; E201-R331 PolarHBondContact OE1-NH1 3.25Å
202	T	76.9	Confident	78.5	Confident	8 Å²	8	60.9 Å²	60.9	5%	0.049	29%	0.287	C	S	.	.	H	α-helix	trans	-68.3	-36	175	-53.5	0	0	0	0	112.6	M198 F199 I204 M205 V219 I240	M198-T202 VanDerWaalsContact O-CB 3.31Å; M198-T202 WeakPolarHBondContact O-CB 3.39Å; M198-T202 PolarHBondContact O-N 3.2Å; M198-T202 PolarHBondContact O-OG1 3.11Å; F199-T202 PolarHBondContact O-N 3.47Å; T202-I204 PolarHBondContact O-N 3.24Å; T202-I204 VanDerWaalsContact O-N 3.14Å; T202-M205 HydrophobicContact CG2-SD 4.03Å; T202-M205 WeakPolarHBondContact O-CB 3.38Å; T202-M205 VanDerWaalsContact O-CG 3.29Å; T202-M205 WeakPolarHBondContact O-CG 3.33Å; T202-M205 PolarHBondContact O-N 3.41Å; T202-V219 HydrophobicContact CG2-CB 4.44Å; T202-V219 HydrophobicContact CG2-CG1 3.65Å; T202-V219 HydrophobicContact CG2-CG2 3.8Å; T202-I240 HydrophobicContact CG2-CD1 3.56Å; T202-I240 HydrophobicContact CG2-CG1 3.62Å
203	E	78.2	Confident	79.5	Confident	94 Å²	94	55.3 Å²	55.3	44%	0.439	26%	0.263	S	S	.	.	H	α-helix	trans	-59.9	-24.1	178.4	-173.1	175.4	-168	0	0	113.1	F199 M205 L206	F199-E203 WeakPolarHBondContact O-CB 3.25Å; F199-E203 PolarHBondContact O-N 3.23Å; E203-M205 PolarHBondContact O-N 2.74Å; E203-L206 PolarHBondContact O-N 3.47Å
204	I	78.4	Confident	80.6	Confident	9 Å²	9	49.7 Å²	49.7	5%	0.046	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-58.2	-36.4	172	-57.4	170.1	0	0	0	110.8	E201 T202 L206 K207 I292	E201-I204 VanDerWaalsContact O-CB 3.32Å; E201-I204 WeakPolarHBondContact O-CB 3.35Å; E201-I204 WeakPolarHBondContact O-CD1 3.4Å; E201-I204 WeakPolarHBondContact O-CG1 3.4Å; E201-I204 PolarHBondContact O-N 3.12Å; T202-I204 PolarHBondContact O-N 3.24Å; T202-I204 VanDerWaalsContact O-N 3.14Å; I204-L206 PolarHBondContact O-N 2.98Å; I204-K207 WeakPolarHBondContact O-CB 3.33Å; I204-K207 PolarHBondContact O-N 3.23Å; I204-K207 VanDerWaalsContact O-N 3.08Å; I204-I292 HydrophobicContact CG2-CD1 3.4Å; I204-I292 VanDerWaalsContact CG2-CD1 3.4Å; I204-I292 HydrophobicContact CG2-CG1 3.76Å
205	M	81.4	Confident	81.8	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.02	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-62.1	-29.4	-177.4	-58.4	176.9	56.8	0	0	113.4	T202 E203 K207 M208 C216 I240 F320	T202-M205 HydrophobicContact CG2-SD 4.03Å; T202-M205 WeakPolarHBondContact O-CB 3.38Å; T202-M205 VanDerWaalsContact O-CG 3.29Å; T202-M205 WeakPolarHBondContact O-CG 3.33Å; T202-M205 PolarHBondContact O-N 3.41Å; E203-M205 PolarHBondContact O-N 2.74Å; M205-K207 PolarHBondContact O-N 2.96Å; M205-M208 HydrophobicContact CB-CE 4.38Å; M205-M208 HydrophobicContact CG-CE 4.26Å; M205-M208 PolarHBondContact O-N 2.9Å; M205-C216 HydrophobicContact CB-CB 3.88Å; M205-C216 HydrophobicContact CE-CB 4.41Å; M205-C216 WeakPolarHBondContact O-CB 3.2Å; M205-I240 HydrophobicContact CE-CD1 4.29Å; M205-I240 HydrophobicContact CE-CG2 4.38Å; M205-I240 HydrophobicContact SD-CD1 3.95Å; M205-F320 HydrophobicContact CE-CB 3.85Å; M205-F320 HydrophobicContact CE-CD2 3.91Å; M205-F320 HydrophobicContact CE-CG 4.34Å; M205-F320 HydrophobicContact CG-CB 3.93Å; M205-F320 HydrophobicContact SD-CB 3.77Å
206	L	84.3	Confident	82.7	Confident	73 Å²	73	48.9 Å²	48.9	38%	0.382	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-66.9	-18.6	178.1	-68.8	171.4	0	0	0	113.2	E203 I204 C216 V219	E203-L206 PolarHBondContact O-N 3.47Å; I204-L206 PolarHBondContact O-N 2.98Å; L206-C216 HydrophobicContact CD2-CB 4.37Å; L206-V219 HydrophobicContact CD1-CB 4.01Å; L206-V219 HydrophobicContact CD1-CG2 3.86Å; L206-V219 HydrophobicContact CD2-CG2 4.04Å; L206-V219 HydrophobicContact CG-CB 4.45Å; L206-V219 HydrophobicContact CG-CG2 3.76Å
207	K	79.8	Confident	83.6	Confident	142 Å²	142	47.2 Å²	47.2	62%	0.617	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-87	-15.2	177.6	-58	177.3	-175.3	173.7	0	112.6	I204 M205	I204-K207 WeakPolarHBondContact O-CB 3.33Å; I204-K207 PolarHBondContact O-N 3.23Å; I204-K207 VanDerWaalsContact O-N 3.08Å; M205-K207 PolarHBondContact O-N 2.96Å
208	M	87.1	Confident	84.6	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.03	23%	0.229	C	C	.	.			trans	-86.3	118.2	-177.9	-63.4	-161.7	-73.5	0	0	111.2	M205 I213 Y283 M284 I288 I292 F320	M205-M208 HydrophobicContact CB-CE 4.38Å; M205-M208 HydrophobicContact CG-CE 4.26Å; M205-M208 PolarHBondContact O-N 2.9Å; M208-I213 HydrophobicContact CB-CG2 4.42Å; M208-I213 HydrophobicContact SD-CD1 4.33Å; M208-Y283 HydrophobicContact CB-CE1 4.22Å; M208-Y283 HydrophobicContact CG-CE1 4.37Å; M208-M284 HydrophobicContact SD-CG 3.87Å; M208-M284 HydrophobicContact SD-SD 3.85Å; M208-I288 HydrophobicContact CG-CD1 3.84Å; M208-I292 HydrophobicContact CG-CD1 3.82Å; M208-I292 HydrophobicContact SD-CD1 3.66Å; M208-I292 HydrophobicContact SD-CG2 4.4Å; M208-F320 HydrophobicContact CE-CB 4.41Å; M208-F320 HydrophobicContact CE-CD1 3.7Å; M208-F320 HydrophobicContact CE-CD2 3.95Å; M208-F320 HydrophobicContact CE-CE1 3.91Å; M208-F320 HydrophobicContact CE-CE2 4.16Å; M208-F320 HydrophobicContact CE-CG 3.72Å; M208-F320 HydrophobicContact CE-CZ 4.15Å
209	N	89.8	Confident	85.5	Confident	103 Å²	103	47.2 Å²	47.2	55%	0.551	22%	0.223	S	C	*	.			trans	-139	98.8	174.6	-177.1	40.9	0	0	0	109.4	Y283	N209-Y283 PolarHBondContact N-OH 3.34Å; N209-Y283 PolarHBondContact O-OH 3.02Å
210	H	93.2	Very high	86	Confident	28 Å²	28	47.3 Å²	47.3	13%	0.13	22%	0.223	C	C	.	.			trans	-144.5	141.1	-174.8	-168.8	-102.4	0	0	0	109.2	H212 I213 D279 Y283	H210-H212 PolarHBondContact ND1-N 3.01Å; H210-H212 PolarHBondContact O-N 3.28Å; H210-I213 HydrophobicContact CB-CB 3.99Å; H210-I213 HydrophobicContact CB-CD1 3.86Å; H210-I213 HydrophobicContact CB-CG1 3.93Å; H210-I213 PolarHBondContact O-N 2.98Å; H210-D279 IonicContact CE1-OD2 3.08Å; H210-D279 PolarHBondContact CE1-OD2 3.41Å; H210-D279 IonicContact NE2-OD2 3.79Å; H210-D279 PolarHBondContact NE2-OD2 3.28Å; H210-Y283 HydrophobicContact CB-CD1 3.87Å; H210-Y283 HydrophobicContact CB-CD2 4.44Å; H210-Y283 HydrophobicContact CB-CE1 3.96Å; H210-Y283 HydrophobicContact CB-CG 4.11Å; H210-Y283 AromaticContact CD2-CD2 3.64Å; H210-Y283 AromaticContact CD2-CG 3.59Å; H210-Y283 AromaticContact CG-CG 3.91Å
211	P	91.3	Very high	86.6	Confident	74 Å²	74	43.9 Å²	43.9	48%	0.481	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-35.7	-177.6	21.2	-33.9	0	0	0	113.1	Y305 K316	P211-Y305 PolarHBondContact O-OH 2.92Å; P211-K316 VanDerWaalsContact O-CD 3.32Å; P211-K316 WeakPolarHBondContact O-CD 3.5Å; P211-K316 VanDerWaalsContact O-CE 3.22Å; P211-K316 WeakPolarHBondContact O-CE 3.31Å
212	H	93.7	Very high	87.1	Confident	23 Å²	23	43.9 Å²	43.9	11%	0.106	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	23	-179.6	-59	-56.6	0	0	0	113.8	H210 Q276 D279 A280 Y305 V315 K316 V317	H210-H212 PolarHBondContact ND1-N 3.01Å; H210-H212 PolarHBondContact O-N 3.28Å; H212-Q276 HydrophobicContact CB-CB 4.46Å; H212-Q276 WeakPolarHBondContact CB-O 3.31Å; H212-Q276 VanDerWaalsContact CE1-CG 3.49Å; H212-Q276 WeakPolarHBondContact CE1-CG 3.36Å; H212-Q276 PolarHBondContact CE1-NE2 2.91Å; H212-D279 IonicContact CD2-OD2 3.44Å; H212-A280 HydrophobicContact CB-CB 4.14Å; H212-A280 WeakPolarHBondContact O-CB 3.27Å; H212-Y305 PolarHBondContact CE1-OH 2.72Å; H212-V315 PolarHBondContact ND1-O 3.44Å; H212-K316 CarbonylContact O-C 3.5Å; H212-K316 WeakPolarHBondContact O-CA 3.29Å; H212-V317 PolarHBondContact O-N 2.87Å
213	I	93.6	Very high	87	Confident	2 Å²	2	50 Å²	50	1%	0.01	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-125.5	134.2	171.4	-69.2	-179.5	0	0	0	109.3	M208 H210 R215 A280 Y283 M284 V317 F320	M208-I213 HydrophobicContact CB-CG2 4.42Å; M208-I213 HydrophobicContact SD-CD1 4.33Å; H210-I213 HydrophobicContact CB-CB 3.99Å; H210-I213 HydrophobicContact CB-CD1 3.86Å; H210-I213 HydrophobicContact CB-CG1 3.93Å; H210-I213 PolarHBondContact O-N 2.98Å; I213-R215 PolarHBondContact O-N 3.41Å; I213-R215 VanDerWaalsContact O-N 3.16Å; I213-A280 HydrophobicContact CD1-CB 4.29Å; I213-A280 HydrophobicContact CG1-CB 3.78Å; I213-Y283 HydrophobicContact CD1-CD1 3.62Å; I213-Y283 HydrophobicContact CD1-CE1 4.08Å; I213-M284 HydrophobicContact CD1-CG 3.88Å; I213-M284 HydrophobicContact CD1-SD 4.07Å; I213-V317 WeakPolarHBondContact CA-O 3.29Å; I213-F320 HydrophobicContact CG1-CZ 4.39Å; I213-F320 HydrophobicContact CG2-CE2 3.64Å; I213-F320 HydrophobicContact CG2-CZ 3.64Å
214	V	92.5	Very high	86.4	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.03	23%	0.23	C	C	.	.			trans	-62.6	114.4	174.2	176.6	0	0	0	0	108.5	C216 Q242 E243 M245 F303 K316 V317	V214-C216 PolarHBondContact O-N 3.31Å; V214-Q242 HydrophobicContact CG1-CB 4.33Å; V214-E243 HydrophobicContact CG1-CB 4.22Å; V214-M245 HydrophobicContact CG1-CG 4.29Å; V214-M245 HydrophobicContact CG2-CG 3.85Å; V214-M245 HydrophobicContact CG2-SD 4.03Å; V214-F303 HydrophobicContact CG2-CB 4.49Å; V214-F303 HydrophobicContact CG2-CD2 3.91Å; V214-F303 HydrophobicContact CG2-CG 4.45Å; V214-K316 HydrophobicContact CG2-CB 3.84Å; V214-V317 PolarHBondContact N-O 3.37Å
215	R	92.5	Very high	85.5	Confident	107 Å²	107	55 Å²	55	40%	0.404	26%	0.262	S	S	.	.			trans	-72.6	129.1	-169.6	-177.3	167.7	170.9	-164.7	-3.7	111.8	I213 F217 Q242 E243	I213-R215 PolarHBondContact O-N 3.41Å; I213-R215 VanDerWaalsContact O-N 3.16Å; R215-F217 HydrophobicContact CB-CE1 4.3Å; R215-F217 HydrophobicContact CG-CD1 4.08Å; R215-F217 HydrophobicContact CG-CE1 3.83Å; R215-Q242 CarbonylContact O-C 3.53Å; R215-Q242 WeakPolarHBondContact O-CA 3.24Å; R215-E243 HydrophobicContact CB-CB 4.45Å; R215-E243 PolarHBondContact N-OE2 3.5Å; R215-E243 PolarHBondContact O-N 2.97Å
216	C	92.1	Very high	84.2	Confident	8 Å²	8	59 Å²	59	5%	0.054	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	134.8	165.5	-165.5	0	0	0	0	109.6	M205 L206 V214 I240	M205-C216 HydrophobicContact CB-CB 3.88Å; M205-C216 HydrophobicContact CE-CB 4.41Å; M205-C216 WeakPolarHBondContact O-CB 3.2Å; L206-C216 HydrophobicContact CD2-CB 4.37Å; V214-C216 PolarHBondContact O-N 3.31Å; C216-I240 WeakPolarHBondContact SG-CG2 3.27Å
217	F	91.8	Very high	83	Confident	37 Å²	37	65.1 Å²	65.1	16%	0.162	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-36.9	179.5	-61.2	-57.4	0	0	0	113.3	W154 V181 R215 I241 E243	W154-F217 HydrophobicContact CH2-CB 3.66Å; W154-F217 HydrophobicContact CH2-CG 4.36Å; W154-F217 HydrophobicContact CZ2-CB 4.12Å; W154-F217 HydrophobicContact CZ3-CB 4.37Å; V181-F217 HydrophobicContact CG1-CD2 3.96Å; V181-F217 HydrophobicContact CG1-CE2 3.96Å; R215-F217 HydrophobicContact CB-CE1 4.3Å; R215-F217 HydrophobicContact CG-CD1 4.08Å; R215-F217 HydrophobicContact CG-CE1 3.83Å; F217-I241 HydrophobicContact CB-CG2 4.39Å; F217-I241 HydrophobicContact CD2-CG2 4.35Å; F217-I241 PolarHBondContact N-O 3.3Å; F217-E243 HydrophobicContact CE2-CB 4.11Å; F217-E243 HydrophobicContact CZ-CB 4.18Å
218	D	91.1	Very high	82.1	Confident	47 Å²	47	62 Å²	62	25%	0.251	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	154.4	179.4	-155.7	-13.7	0	0	0	110.8	W154 I241	W154-D218 HydrophobicContact CZ2-CB 3.76Å; W154-D218 PolarHBondContact NE1-OD2 2.98Å; D218-I241 HydrophobicContact CB-CB 4.28Å; D218-I241 HydrophobicContact CB-CG1 4.2Å; D218-I241 PolarHBondContact O-N 3.35Å
219	V	89.2	Confident	80.7	Confident	11 Å²	11	67.8 Å²	67.8	7%	0.067	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	117	175.3	-178.9	0	0	0	0	108.1	F199 T202 L206 V238 V239 I240	F199-V219 HydrophobicContact CD2-CG1 4.16Å; F199-V219 HydrophobicContact CE2-CG1 3.83Å; F199-V219 HydrophobicContact CZ-CG1 4.29Å; T202-V219 HydrophobicContact CG2-CB 4.44Å; T202-V219 HydrophobicContact CG2-CG1 3.65Å; T202-V219 HydrophobicContact CG2-CG2 3.8Å; L206-V219 HydrophobicContact CD1-CB 4.01Å; L206-V219 HydrophobicContact CD1-CG2 3.86Å; L206-V219 HydrophobicContact CD2-CG2 4.04Å; L206-V219 HydrophobicContact CG-CB 4.45Å; L206-V219 HydrophobicContact CG-CG2 3.76Å; V219-V238 HydrophobicContact CG1-CG1 3.96Å; V219-V239 WeakPolarHBondContact CA-O 3.48Å; V219-I240 HydrophobicContact CG2-CG2 4.16Å
220	F	87.5	Confident	79.3	Confident	37 Å²	37	69.8 Å²	69.8	16%	0.162	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	162.9	-179.6	57.6	-96.5	0	0	0	112.8	W154 W183 V239 I241	W154-F220 AromaticContact CD1-CE1 3.67Å; W154-F220 HydrophobicContact CG-CE1 4.4Å; W183-F220 HydrophobicContact CH2-CE2 4.19Å; W183-F220 AromaticContact CH2-CZ 3.72Å; W183-F220 HydrophobicContact CH2-CZ 3.72Å; W183-F220 HydrophobicContact CZ2-CE2 4.29Å; W183-F220 HydrophobicContact CZ2-CZ 4.07Å; W183-F220 HydrophobicContact CZ3-CZ 4.04Å; F220-V239 HydrophobicContact CD2-CB 4.02Å; F220-V239 HydrophobicContact CD2-CG2 4.48Å; F220-V239 HydrophobicContact CE1-CG1 4.18Å; F220-V239 HydrophobicContact CE2-CB 3.66Å; F220-V239 HydrophobicContact CE2-CG1 3.84Å; F220-V239 HydrophobicContact CE2-CG2 4.01Å; F220-V239 HydrophobicContact CZ-CB 3.93Å; F220-V239 HydrophobicContact CZ-CG1 3.59Å; F220-V239 PolarHBondContact N-O 2.82Å; F220-V239 PolarHBondContact O-N 2.93Å; F220-I241 HydrophobicContact CE1-CD1 3.95Å; F220-I241 HydrophobicContact CE1-CG1 3.72Å; F220-I241 HydrophobicContact CZ-CD1 4.15Å; F220-I241 HydrophobicContact CZ-CG1 4.43Å
221	R	85.2	Confident	77.5	Confident	65 Å²	65	72.6 Å²	72.6	25%	0.245	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.2	174.9	-61.5	173.6	-173.3	-93.3	-3.1	108.8	F199 E235	F199-R221 VanDerWaalsContact CB-NH2 3.31Å; F199-R221 VanDerWaalsContact CD1-NH2 3.29Å; F199-R221 HydrophobicContact CD2-CG 3.74Å; F199-R221 HydrophobicContact CE2-CG 3.69Å; R221-E235 HydrophobicContact CB-CG 4.34Å; R221-E235 WeakPolarHBondContact CD-OE1 3.01Å; R221-E235 VanDerWaalsContact CG-OE1 3.23Å; R221-E235 WeakPolarHBondContact CG-OE1 3.49Å; R221-E235 IonicContact CZ-OE1 3.49Å; R221-E235 IonicContact NE-OE1 3.53Å; R221-E235 IonicContact NH1-OE1 2.72Å; R221-E235 PolarHBondContact NH1-OE1 2.74Å; R221-E235 IonicContact NH1-OE2 3.95Å; R221-E235 PolarHBondContact NH1-OE2 2.89Å
222	E	80	Confident	75.8	Confident	39 Å²	39	77.1 Å²	77.1	18%	0.182	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.9	172.9	-164.2	-179.7	166	0	0	109.3	E235 K236 G237 V239	E222-E235 CarbonylContact O-C 3.59Å; E222-K236 HydrophobicContact CB-CB 4.5Å; E222-K236 HydrophobicContact CB-CD 4.29Å; E222-K236 HydrophobicContact CG-CD 3.91Å; E222-K236 PolarHBondContact O-N 2.63Å; E222-K236 WeakPolarHBondContact OE1-CD 3.33Å; E222-K236 IonicContact OE1-NZ 3.48Å; E222-K236 PolarHBondContact OE1-NZ 3.43Å; E222-K236 WeakPolarHBondContact OE2-CD 3.14Å; E222-K236 IonicContact OE2-NZ 2.98Å; E222-K236 PolarHBondContact OE2-NZ 3.46Å; E222-G237 PolarHBondContact N-O 3.47Å; E222-G237 PolarHBondContact O-N 2.61Å; E222-V239 HydrophobicContact CB-CG2 3.9Å; E222-V239 WeakPolarHBondContact OE2-CG2 3.38Å
223	W	73.4	Confident	74.2	Confident	136 Å²	136	80.8 Å²	80.8	52%	0.515	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.1	-177	-60.5	79.9	0	0	0	108.3	I233 E234 E235	W223-I233 HydrophobicContact CB-CG2 3.99Å; W223-I233 HydrophobicContact CE3-CB 4.45Å; W223-I233 HydrophobicContact CE3-CG2 3.95Å; W223-E234 WeakPolarHBondContact CA-O 3.48Å; W223-E235 HydrophobicContact CD2-CB 4.21Å; W223-E235 HydrophobicContact CE3-CB 3.88Å; W223-E235 HydrophobicContact CH2-CB 3.93Å; W223-E235 HydrophobicContact CH2-CG 4.44Å; W223-E235 HydrophobicContact CZ2-CB 4.24Å; W223-E235 HydrophobicContact CZ2-CG 4.29Å; W223-E235 HydrophobicContact CZ3-CB 3.75Å
224	I	65.8	Low	72.8	Confident	75 Å²	75	84.7 Å²	84.7	39%	0.385	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.9	171.4	-68.8	165.7	0	0	0	108	M226 E234 K236	I224-M226 HydrophobicContact CG2-CG 4.31Å; I224-M226 HydrophobicContact CG2-SD 4.22Å; I224-M226 PolarHBondContact O-N 3.04Å; I224-M226 VanDerWaalsContact O-N 3.16Å; I224-E234 PolarHBondContact N-O 3.21Å; I224-E234 PolarHBondContact O-N 3.11Å; I224-K236 HydrophobicContact CD1-CB 3.87Å; I224-K236 HydrophobicContact CD1-CD 4.03Å; I224-K236 HydrophobicContact CD1-CG 3.78Å; I224-K236 HydrophobicContact CG1-CB 4.03Å; I224-K236 HydrophobicContact CG1-CD 4.31Å; I224-K236 HydrophobicContact CG1-CG 4.33Å
225	D	59.5	Low	71.6	Confident	133 Å²	133	85 Å²	85	71%	0.711	42%	0.416	S	S	*	.			trans	-71.9	99.9	161.3	-65.6	-34.6	0	0	0	107.2
226	M	54.9	Low	70.5	Confident	88 Å²	88	82.7 Å²	82.7	43%	0.433	41%	0.409	S	S	.	.			trans	-66.3	139	174.5	-70.1	-78.8	-96.2	0	0	109.4	I224 D228	I224-M226 HydrophobicContact CG2-CG 4.31Å; I224-M226 HydrophobicContact CG2-SD 4.22Å; I224-M226 PolarHBondContact O-N 3.04Å; I224-M226 VanDerWaalsContact O-N 3.16Å; M226-D228 PolarHBondContact O-N 2.96Å
227	E	58.5	Low	69.8	Low	202 Å²	202	82.7 Å²	82.7	94%	0.944	41%	0.41	S	S	*	.	S	Bend	trans	-67.7	-6.4	-174.7	-62.4	-170.6	154.2	0	0	114.7	P229	E227-P229 WeakPolarHBondContact O-CD 3.38Å
228	D	61.1	Low	69.4	Low	75 Å²	75	81 Å²	81	40%	0.401	40%	0.403	S	S	.	.	S	Bend	trans	-89.1	113.9	172	177.1	1.2	0	0	0	110.8	M226 N230 N231	M226-D228 PolarHBondContact O-N 2.96Å; D228-N230 PolarHBondContact O-N 2.69Å; D228-N230 WeakPolarHBondContact OD1-CB 3.21Å; D228-N230 PolarHBondContact OD1-N 2.88Å; D228-N230 PolarHBondContact OD1-ND2 3.15Å; D228-N231 HydrophobicContact CB-CB 3.93Å; D228-N231 PolarHBondContact O-N 2.86Å
229	P	58.3	Low	69.3	Low	128 Å²	128	78.8 Å²	78.8	83%	0.831	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.4	-179.2	-23.8	35	0	0	0	115.9	E227	E227-P229 WeakPolarHBondContact O-CD 3.38Å
230	N	60.8	Low	69.3	Low	145 Å²	145	78.5 Å²	78.5	78%	0.775	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-11.2	177.9	-51.8	-82.4	0	0	0	112.9	D228	D228-N230 PolarHBondContact O-N 2.69Å; D228-N230 WeakPolarHBondContact OD1-CB 3.21Å; D228-N230 PolarHBondContact OD1-N 2.88Å; D228-N230 PolarHBondContact OD1-ND2 3.15Å
231	N	53.9	Low	69.6	Low	87 Å²	87	76.8 Å²	76.8	47%	0.465	38%	0.382	S	S	.	.	S	Bend	trans	-93.1	138.8	-172.1	-148.3	-4.9	0	0	0	110.5	D228	D228-N231 HydrophobicContact CB-CB 3.93Å; D228-N231 PolarHBondContact O-N 2.86Å
232	Q	57.4	Low	70	Confident	170 Å²	170	74.4 Å²	74.4	79%	0.794	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-74.5	134.8	-169.1	-62.6	177.1	35.9	0	0	110.4	E234	Q232-E234 PolarHBondContact O-N 3.41Å; Q232-E234 VanDerWaalsContact O-N 3.08Å
233	I	60	Low	70.6	Confident	99 Å²	99	75.2 Å²	75.2	51%	0.508	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-54.4	116.5	-179.4	-48	174.5	0	0	0	109.3	W223	W223-I233 HydrophobicContact CB-CG2 3.99Å; W223-I233 HydrophobicContact CE3-CB 4.45Å; W223-I233 HydrophobicContact CE3-CG2 3.95Å
234	E	63.9	Low	71.5	Confident	84 Å²	84	71.1 Å²	71.1	39%	0.393	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.7	-173.8	-168.4	170.8	-173.6	0	0	111.8	H188 W223 I224 Q232 K236	H188-E234 IonicContact CE1-OE1 3.89Å; H188-E234 PolarHBondContact CE1-OE1 3.4Å; W223-E234 WeakPolarHBondContact CA-O 3.48Å; I224-E234 PolarHBondContact N-O 3.21Å; I224-E234 PolarHBondContact O-N 3.11Å; Q232-E234 PolarHBondContact O-N 3.41Å; Q232-E234 VanDerWaalsContact O-N 3.08Å; E234-K236 PolarHBondContact O-N 3.48Å
235	E	67.2	Low	72.7	Confident	11 Å²	11	68.9 Å²	68.9	5%	0.051	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	88.3	169.9	-175.5	-178.1	179.9	0	0	109.8	R195 R221 E222 W223 G237	R195-E235 PolarHBondContact NH1-O 3.06Å; R221-E235 HydrophobicContact CB-CG 4.34Å; R221-E235 WeakPolarHBondContact CD-OE1 3.01Å; R221-E235 VanDerWaalsContact CG-OE1 3.23Å; R221-E235 WeakPolarHBondContact CG-OE1 3.49Å; R221-E235 IonicContact CZ-OE1 3.49Å; R221-E235 IonicContact NE-OE1 3.53Å; R221-E235 IonicContact NH1-OE1 2.72Å; R221-E235 PolarHBondContact NH1-OE1 2.74Å; R221-E235 IonicContact NH1-OE2 3.95Å; R221-E235 PolarHBondContact NH1-OE2 2.89Å; E222-E235 CarbonylContact O-C 3.59Å; W223-E235 HydrophobicContact CD2-CB 4.21Å; W223-E235 HydrophobicContact CE3-CB 3.88Å; W223-E235 HydrophobicContact CH2-CB 3.93Å; W223-E235 HydrophobicContact CH2-CG 4.44Å; W223-E235 HydrophobicContact CZ2-CB 4.24Å; W223-E235 HydrophobicContact CZ2-CG 4.29Å; W223-E235 HydrophobicContact CZ3-CB 3.75Å; E235-G237 PolarHBondContact O-N 3.5Å; E235-G237 VanDerWaalsContact O-N 3.14Å
236	K	68.8	Low	73.7	Confident	59 Å²	59	65.3 Å²	65.3	26%	0.257	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-45.6	-42.3	176.7	-178.7	-159.5	173.1	-158.4	0	112.5	E185 E222 I224 E234	E185-K236 IonicContact OE1-NZ 2.65Å; E185-K236 PolarHBondContact OE1-NZ 2.97Å; E185-K236 IonicContact OE2-NZ 3.76Å; E185-K236 PolarHBondContact OE2-NZ 3.11Å; E222-K236 HydrophobicContact CB-CB 4.5Å; E222-K236 HydrophobicContact CB-CD 4.29Å; E222-K236 HydrophobicContact CG-CD 3.91Å; E222-K236 PolarHBondContact O-N 2.63Å; E222-K236 WeakPolarHBondContact OE1-CD 3.33Å; E222-K236 IonicContact OE1-NZ 3.48Å; E222-K236 PolarHBondContact OE1-NZ 3.43Å; E222-K236 WeakPolarHBondContact OE2-CD 3.14Å; E222-K236 IonicContact OE2-NZ 2.98Å; E222-K236 PolarHBondContact OE2-NZ 3.46Å; I224-K236 HydrophobicContact CD1-CB 3.87Å; I224-K236 HydrophobicContact CD1-CD 4.03Å; I224-K236 HydrophobicContact CD1-CG 3.78Å; I224-K236 HydrophobicContact CG1-CB 4.03Å; I224-K236 HydrophobicContact CG1-CD 4.31Å; I224-K236 HydrophobicContact CG1-CG 4.33Å; E234-K236 PolarHBondContact O-N 3.48Å
237	G	78.1	Confident	75	Confident	8 Å²	8	66.5 Å²	66.5	8%	0.082	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.9	-166.6	177	0	0	0	0	0	114.4	E222 E235	E222-G237 PolarHBondContact N-O 3.47Å; E222-G237 PolarHBondContact O-N 2.61Å; E235-G237 PolarHBondContact O-N 3.5Å; E235-G237 VanDerWaalsContact O-N 3.14Å
238	V	83.4	Confident	76.4	Confident	2 Å²	2	58 Å²	58	1%	0.012	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	138.8	176.2	-177.4	0	0	0	0	109.8	F186 M198 F199 V219	F186-V238 HydrophobicContact CD2-CB 3.98Å; F186-V238 HydrophobicContact CD2-CG1 4.35Å; F186-V238 HydrophobicContact CE2-CG1 4.47Å; F186-V238 PolarHBondContact N-O 3.35Å; F186-V238 VanDerWaalsContact N-O 3.14Å; M198-V238 HydrophobicContact SD-CG2 4.45Å; F199-V238 HydrophobicContact CB-CG2 4.05Å; F199-V238 HydrophobicContact CD2-CG1 3.92Å; F199-V238 HydrophobicContact CD2-CG2 3.98Å; V219-V238 HydrophobicContact CG1-CG1 3.96Å
239	V	88.5	Confident	77.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.7	174.6	179.8	0	0	0	0	109.7	W183 C184 E185 V219 F220 E222 I241	W183-V239 HydrophobicContact CD2-CG1 4.05Å; W183-V239 HydrophobicContact CG-CG1 4.28Å; W183-V239 HydrophobicContact CZ2-CG1 4.09Å; C184-V239 CarbonylContact O-C 3.55Å; C184-V239 VanDerWaalsContact O-CA 3.28Å; C184-V239 WeakPolarHBondContact O-CA 3.32Å; E185-V239 HydrophobicContact CG-CG2 4.33Å; V219-V239 WeakPolarHBondContact CA-O 3.48Å; F220-V239 HydrophobicContact CD2-CB 4.02Å; F220-V239 HydrophobicContact CD2-CG2 4.48Å; F220-V239 HydrophobicContact CE1-CG1 4.18Å; F220-V239 HydrophobicContact CE2-CB 3.66Å; F220-V239 HydrophobicContact CE2-CG1 3.84Å; F220-V239 HydrophobicContact CE2-CG2 4.01Å; F220-V239 HydrophobicContact CZ-CB 3.93Å; F220-V239 HydrophobicContact CZ-CG1 3.59Å; F220-V239 PolarHBondContact N-O 2.82Å; F220-V239 PolarHBondContact O-N 2.93Å; E222-V239 HydrophobicContact CB-CG2 3.9Å; E222-V239 WeakPolarHBondContact OE2-CG2 3.38Å; V239-I241 HydrophobicContact CG1-CD1 3.98Å
240	I	90.3	Very high	79.4	Confident	6 Å²	6	49.7 Å²	49.7	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	135	170.1	-38	177.1	0	0	0	109.1	C184 F186 T202 M205 C216 V219 Q242	C184-I240 HydrophobicContact CB-CB 4.12Å; C184-I240 HydrophobicContact CB-CG1 4.49Å; C184-I240 PolarHBondContact N-O 2.76Å; C184-I240 PolarHBondContact O-N 2.73Å; F186-I240 HydrophobicContact CE2-CD1 3.73Å; F186-I240 HydrophobicContact CE2-CG1 3.96Å; F186-I240 HydrophobicContact CZ-CD1 4.06Å; T202-I240 HydrophobicContact CG2-CD1 3.56Å; T202-I240 HydrophobicContact CG2-CG1 3.62Å; M205-I240 HydrophobicContact CE-CD1 4.29Å; M205-I240 HydrophobicContact CE-CG2 4.38Å; M205-I240 HydrophobicContact SD-CD1 3.95Å; C216-I240 WeakPolarHBondContact SG-CG2 3.27Å; V219-I240 HydrophobicContact CG2-CG2 4.16Å; I240-Q242 HydrophobicContact CB-CG 4.33Å; I240-Q242 HydrophobicContact CG2-CG 3.65Å
241	I	93.1	Very high	80.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.5	167.5	-49.5	-59.1	0	0	0	109.2	W154 V181 A182 W183 F217 D218 F220 V239	W154-I241 HydrophobicContact CB-CD1 4.11Å; W154-I241 HydrophobicContact CB-CG1 4.24Å; W154-I241 HydrophobicContact CD2-CB 4.36Å; W154-I241 HydrophobicContact CD2-CG1 4Å; W154-I241 HydrophobicContact CD2-CG2 3.96Å; W154-I241 HydrophobicContact CE3-CG2 3.64Å; W154-I241 HydrophobicContact CG-CD1 4.26Å; W154-I241 HydrophobicContact CG-CG1 3.83Å; W154-I241 HydrophobicContact CH2-CG2 4.36Å; W154-I241 HydrophobicContact CZ3-CG2 3.82Å; V181-I241 HydrophobicContact CB-CG2 3.77Å; V181-I241 HydrophobicContact CG1-CG2 4.03Å; V181-I241 HydrophobicContact CG2-CG2 3.75Å; A182-I241 WeakPolarHBondContact O-CA 3.43Å; W183-I241 HydrophobicContact CB-CD1 4.28Å; W183-I241 HydrophobicContact CD2-CD1 3.8Å; W183-I241 HydrophobicContact CE3-CD1 3.48Å; W183-I241 VanDerWaalsContact CE3-CD1 3.48Å; W183-I241 HydrophobicContact CG-CD1 4.16Å; W183-I241 HydrophobicContact CZ3-CD1 4.14Å; F217-I241 HydrophobicContact CB-CG2 4.39Å; F217-I241 HydrophobicContact CD2-CG2 4.35Å; F217-I241 PolarHBondContact N-O 3.3Å; D218-I241 HydrophobicContact CB-CB 4.28Å; D218-I241 HydrophobicContact CB-CG1 4.2Å; D218-I241 PolarHBondContact O-N 3.35Å; F220-I241 HydrophobicContact CE1-CD1 3.95Å; F220-I241 HydrophobicContact CE1-CG1 3.72Å; F220-I241 HydrophobicContact CZ-CD1 4.15Å; F220-I241 HydrophobicContact CZ-CG1 4.43Å; V239-I241 HydrophobicContact CG1-CD1 3.98Å
242	Q	93.6	Very high	82.5	Confident	15 Å²	15	41.9 Å²	41.9	7%	0.07	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	165.3	-174.8	-58.5	-179.3	6.9	0	0	112.2	V181 A182 V214 R215 I240	V181-Q242 CarbonylContact C-O 3.4Å; V181-Q242 WeakPolarHBondContact CA-O 3.31Å; V181-Q242 WeakPolarHBondContact CB-O 3.24Å; A182-Q242 HydrophobicContact CB-CB 4.33Å; A182-Q242 PolarHBondContact N-O 3.38Å; A182-Q242 PolarHBondContact O-N 3.45Å; V214-Q242 HydrophobicContact CG1-CB 4.33Å; R215-Q242 CarbonylContact O-C 3.53Å; R215-Q242 WeakPolarHBondContact O-CA 3.24Å; I240-Q242 HydrophobicContact CB-CG 4.33Å; I240-Q242 HydrophobicContact CG2-CG 3.65Å
243	E	92.5	Very high	84	Confident	57 Å²	57	34.7 Å²	34.7	27%	0.266	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	133	166.4	-169.8	174.5	-165.9	0	0	111.5	V214 R215 F217 M245 K316	V214-E243 HydrophobicContact CG1-CB 4.22Å; R215-E243 HydrophobicContact CB-CB 4.45Å; R215-E243 PolarHBondContact N-OE2 3.5Å; R215-E243 PolarHBondContact O-N 2.97Å; F217-E243 HydrophobicContact CE2-CB 4.11Å; F217-E243 HydrophobicContact CZ-CB 4.18Å; E243-M245 HydrophobicContact CG-SD 4.2Å; E243-M245 PolarHBondContact O-N 2.84Å; E243-K316 IonicContact OE1-NZ 3.37Å; E243-K316 PolarHBondContact OE1-NZ 3.04Å; E243-K316 IonicContact OE2-NZ 2.77Å; E243-K316 PolarHBondContact OE2-NZ 3.5Å
244	L	91.1	Very high	85.5	Confident	50 Å²	50	30 Å²	30	26%	0.262	17%	0.172	S	C	.	.			trans	-85.3	107	-179.9	-179	63.4	0	0	0	110.5	I161 R171 N180 A182 G246	I161-L244 HydrophobicContact CD1-CD1 3.36Å; R171-L244 HydrophobicContact CG-CD2 4.28Å; N180-L244 HydrophobicContact CB-CB 4.49Å; N180-L244 HydrophobicContact CB-CD2 3.66Å; A182-L244 HydrophobicContact CB-CD1 4.23Å; L244-G246 PolarHBondContact O-N 3.27Å
245	M	91	Very high	86.7	Confident	28 Å²	28	31.9 Å²	31.9	14%	0.138	18%	0.175	C	C	.	.			trans	-83.3	99.8	178.5	-56	-55.7	-65.6	0	0	110.9	V214 E243 F303 Y305 K316	V214-M245 HydrophobicContact CG1-CG 4.29Å; V214-M245 HydrophobicContact CG2-CG 3.85Å; V214-M245 HydrophobicContact CG2-SD 4.03Å; E243-M245 HydrophobicContact CG-SD 4.2Å; E243-M245 PolarHBondContact O-N 2.84Å; M245-F303 HydrophobicContact CB-CB 3.74Å; M245-F303 HydrophobicContact CB-CD1 3.77Å; M245-F303 HydrophobicContact CB-CG 3.95Å; M245-F303 HydrophobicContact CE-CB 3.69Å; M245-F303 HydrophobicContact CG-CB 3.63Å; M245-F303 HydrophobicContact CG-CD1 4.14Å; M245-F303 HydrophobicContact CG-CG 3.85Å; M245-F303 HydrophobicContact SD-CB 4.46Å; M245-Y305 HydrophobicContact CE-CD1 4.07Å; M245-Y305 HydrophobicContact CE-CG 4.24Å; M245-K316 HydrophobicContact CE-CB 4.13Å; M245-K316 HydrophobicContact CE-CD 3.99Å; M245-K316 HydrophobicContact CE-CG 3.86Å; M245-K316 HydrophobicContact SD-CD 4.22Å
246	G	81.7	Confident	87.6	Confident	58 Å²	58	38.7 Å²	38.7	60%	0.598	21%	0.205	S	C	*	.			trans	-73.6	-41.6	-173.9	0	0	0	0	0	115.1	L244 G248	L244-G246 PolarHBondContact O-N 3.27Å; G246-G248 PolarHBondContact O-N 3.43Å; G246-G248 VanDerWaalsContact O-N 3.09Å
247	E	82.3	Confident	88.5	Confident	112 Å²	112	38 Å²	38	52%	0.523	20%	0.204	S	C	.	.	S	Bend	trans	-76.2	-2.5	-168.2	-42.3	-41.5	119.2	0	0	113.8	L304 L313	E247-L304 HydrophobicContact CB-CB 4.43Å; E247-L313 HydrophobicContact CB-CD1 4.45Å; E247-L313 HydrophobicContact CG-CD1 4.36Å
248	G	86.9	Confident	88.9	Confident	24 Å²	24	40 Å²	40	25%	0.247	21%	0.21	C	C	.	.			trans	86.6	-167.3	176.6	0	0	0	0	0	114.4	G246 F303 L304	G246-G248 PolarHBondContact O-N 3.43Å; G246-G248 VanDerWaalsContact O-N 3.09Å; G248-F303 WeakPolarHBondContact O-CA 3.3Å; G248-L304 PolarHBondContact O-N 2.76Å
249	T	91	Very high	88.9	Confident	28 Å²	28	45 Å²	45	17%	0.172	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-87.9	153.4	-175.3	70.1	0	0	0	0	111.7	K251 S252 V253 D300 C302 F303	T249-K251 VanDerWaalsContact C-N 3.27Å; T249-K251 PolarHBondContact O-N 3.05Å; T249-S252 WeakPolarHBondContact O-CA 3.23Å; T249-S252 VanDerWaalsContact O-CB 3.27Å; T249-S252 WeakPolarHBondContact O-CB 3.16Å; T249-S252 PolarHBondContact O-N 2.75Å; T249-S252 WeakPolarHBondContact OG1-CB 3.32Å; T249-S252 PolarHBondContact OG1-N 3.48Å; T249-S252 VanDerWaalsContact OG1-N 3.16Å; T249-V253 PolarHBondContact O-N 2.98Å; T249-V253 VanDerWaalsContact O-N 3.12Å; T249-D300 WeakPolarHBondContact CG2-O 3.27Å; T249-C302 CarbonylContact C-O 3.57Å; T249-C302 WeakPolarHBondContact CA-O 3.18Å; T249-F303 HydrophobicContact CG2-CD1 4.17Å; T249-F303 HydrophobicContact CG2-CE1 3.9Å
250	L	92	Very high	88.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-54	-45.7	173.7	174.2	58.4	0	0	0	110.4	S252 V253 I254 W273 I277 A299 C302 L304 L362 V366	L250-S252 VanDerWaalsContact C-N 3.28Å; L250-S252 PolarHBondContact O-N 3.34Å; L250-V253 PolarHBondContact O-N 3.37Å; L250-V253 VanDerWaalsContact O-N 3.07Å; L250-I254 HydrophobicContact CD1-CD1 4.02Å; L250-I254 HydrophobicContact CD1-CG1 4.02Å; L250-I254 HydrophobicContact CG-CG1 4.31Å; L250-I254 WeakPolarHBondContact O-CG1 3.32Å; L250-I254 PolarHBondContact O-N 2.92Å; L250-W273 HydrophobicContact CD1-CD2 4.08Å; L250-W273 HydrophobicContact CD1-CE3 3.34Å; L250-W273 HydrophobicContact CD1-CH2 4.42Å; L250-W273 HydrophobicContact CD1-CZ3 3.54Å; L250-I277 HydrophobicContact CD2-CD1 4.3Å; L250-A299 HydrophobicContact CB-CB 4.37Å; L250-A299 WeakPolarHBondContact CB-O 3.46Å; L250-A299 HydrophobicContact CD2-CB 4.32Å; L250-A299 HydrophobicContact CG-CB 4.23Å; L250-A299 PolarHBondContact N-O 3.37Å; L250-C302 HydrophobicContact CB-CB 3.96Å; L250-C302 HydrophobicContact CD2-CB 4.11Å; L250-C302 PolarHBondContact N-O 2.8Å; L250-L304 HydrophobicContact CD1-CD1 4.29Å; L250-L362 HydrophobicContact CD2-CD2 4.42Å; L250-V366 HydrophobicContact CD2-CG2 3.83Å; L250-V366 HydrophobicContact CG-CG2 4.15Å
251	K	90.8	Very high	87.6	Confident	37 Å²	37	54.7 Å²	54.7	16%	0.161	30%	0.302	C	S	.	.	H	α-helix	trans	-60	-35	175.9	-159.7	-179	-168.6	153.8	0	113.5	T249 R255 A299 D300 E365	T249-K251 VanDerWaalsContact C-N 3.27Å; T249-K251 PolarHBondContact O-N 3.05Å; K251-R255 VanDerWaalsContact O-CB 3.24Å; K251-R255 WeakPolarHBondContact O-CB 3.22Å; K251-R255 PolarHBondContact O-N 2.91Å; K251-A299 HydrophobicContact CB-CB 3.82Å; K251-A299 HydrophobicContact CG-CB 4.38Å; K251-A299 PolarHBondContact N-O 2.78Å; K251-D300 WeakPolarHBondContact CD-OD1 3.34Å; K251-D300 WeakPolarHBondContact CD-OD2 3.18Å; K251-D300 WeakPolarHBondContact CE-OD2 3.33Å; K251-D300 IonicContact NZ-OD2 3.58Å; K251-D300 PolarHBondContact NZ-OD2 3.2Å; K251-E365 WeakPolarHBondContact CD-OE1 3.27Å; K251-E365 WeakPolarHBondContact CE-OE1 3.47Å; K251-E365 IonicContact NZ-OE1 2.72Å; K251-E365 PolarHBondContact NZ-OE1 3.02Å
252	S	89.8	Confident	86.7	Confident	31 Å²	31	61.7 Å²	61.7	22%	0.217	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-42.8	174	-166.1	0	0	0	0	111.4	T249 L250 K256	T249-S252 WeakPolarHBondContact O-CA 3.23Å; T249-S252 VanDerWaalsContact O-CB 3.27Å; T249-S252 WeakPolarHBondContact O-CB 3.16Å; T249-S252 PolarHBondContact O-N 2.75Å; T249-S252 WeakPolarHBondContact OG1-CB 3.32Å; T249-S252 PolarHBondContact OG1-N 3.48Å; T249-S252 VanDerWaalsContact OG1-N 3.16Å; L250-S252 VanDerWaalsContact C-N 3.28Å; L250-S252 PolarHBondContact O-N 3.34Å; S252-K256 WeakPolarHBondContact O-CB 3.42Å; S252-K256 VanDerWaalsContact O-CG 3.22Å; S252-K256 WeakPolarHBondContact O-CG 3.31Å; S252-K256 PolarHBondContact O-N 3.19Å; S252-K256 VanDerWaalsContact O-N 3.09Å
253	V	88.7	Confident	86.1	Confident	19 Å²	19	62.6 Å²	62.6	12%	0.115	34%	0.342	C	S	.	.	H	α-helix	trans	-73.1	-40.6	178.4	172	0	0	0	0	112.4	T249 L250 K256 N257 L265 W273 L304	T249-V253 PolarHBondContact O-N 2.98Å; T249-V253 VanDerWaalsContact O-N 3.12Å; L250-V253 PolarHBondContact O-N 3.37Å; L250-V253 VanDerWaalsContact O-N 3.07Å; V253-K256 PolarHBondContact O-N 3.33Å; V253-N257 WeakPolarHBondContact O-CB 3.41Å; V253-N257 PolarHBondContact O-N 3.04Å; V253-N257 PolarHBondContact O-ND2 3.2Å; V253-L265 HydrophobicContact CG1-CD1 4.27Å; V253-W273 HydrophobicContact CG1-CH2 4.14Å; V253-L304 HydrophobicContact CB-CD1 3.56Å; V253-L304 HydrophobicContact CG1-CD1 3.95Å; V253-L304 HydrophobicContact CG2-CD1 3.47Å; V253-L304 VanDerWaalsContact CG2-CD1 3.47Å
254	I	89.9	Confident	85.7	Confident	2 Å²	2	65 Å²	65	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-57.3	-53.2	172.1	-62.7	-48.3	0	0	0	109.9	L250 K256 N257 F258 L265 W273 V366 N369	L250-I254 HydrophobicContact CD1-CD1 4.02Å; L250-I254 HydrophobicContact CD1-CG1 4.02Å; L250-I254 HydrophobicContact CG-CG1 4.31Å; L250-I254 WeakPolarHBondContact O-CG1 3.32Å; L250-I254 PolarHBondContact O-N 2.92Å; I254-K256 VanDerWaalsContact C-N 3.32Å; I254-K256 PolarHBondContact O-N 3.45Å; I254-N257 CarbonylContact O-C 3.58Å; I254-N257 VanDerWaalsContact O-C 3.23Å; I254-N257 WeakPolarHBondContact O-CA 3.25Å; I254-N257 PolarHBondContact O-N 3.26Å; I254-F258 HydrophobicContact CG2-CD2 4.48Å; I254-F258 PolarHBondContact O-N 3.42Å; I254-F258 VanDerWaalsContact O-N 3.12Å; I254-L265 HydrophobicContact CD1-CD1 3.65Å; I254-W273 HydrophobicContact CD1-CZ3 4Å; I254-V366 HydrophobicContact CD1-CG1 3.9Å; I254-V366 HydrophobicContact CG1-CB 4.48Å; I254-V366 HydrophobicContact CG1-CG1 4.12Å; I254-V366 HydrophobicContact CG1-CG2 4.29Å; I254-N369 HydrophobicContact CG2-CB 4.17Å
255	R	89.1	Confident	85.4	Confident	122 Å²	122	63.9 Å²	63.9	46%	0.46	35%	0.35	S	S	.	.	H	α-helix	trans	-60.1	-38.1	-177.8	-167.3	-168.7	-55.2	107.2	-2.1	113.3	K251 N257	K251-R255 VanDerWaalsContact O-CB 3.24Å; K251-R255 WeakPolarHBondContact O-CB 3.22Å; K251-R255 PolarHBondContact O-N 2.91Å; R255-N257 PolarHBondContact O-N 3.44Å
256	K	87.9	Confident	85.1	Confident	155 Å²	155	70.6 Å²	70.6	67%	0.674	38%	0.378	S	S	*	.	H	α-helix	trans	-66.7	-25.1	174.5	-75.8	171.5	-178.1	-177.7	0	113.3	S252 V253 I254	S252-K256 WeakPolarHBondContact O-CB 3.42Å; S252-K256 VanDerWaalsContact O-CG 3.22Å; S252-K256 WeakPolarHBondContact O-CG 3.31Å; S252-K256 PolarHBondContact O-N 3.19Å; S252-K256 VanDerWaalsContact O-N 3.09Å; V253-K256 PolarHBondContact O-N 3.33Å; I254-K256 VanDerWaalsContact C-N 3.32Å; I254-K256 PolarHBondContact O-N 3.45Å
257	N	87.4	Confident	85.3	Confident	44 Å²	44	71.3 Å²	71.3	24%	0.235	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	29.9	-176.6	-66.6	-87.9	0	0	0	111.6	V253 I254 R255 C263 I264 L265	V253-N257 WeakPolarHBondContact O-CB 3.41Å; V253-N257 PolarHBondContact O-N 3.04Å; V253-N257 PolarHBondContact O-ND2 3.2Å; I254-N257 CarbonylContact O-C 3.58Å; I254-N257 VanDerWaalsContact O-C 3.23Å; I254-N257 WeakPolarHBondContact O-CA 3.25Å; I254-N257 PolarHBondContact O-N 3.26Å; R255-N257 PolarHBondContact O-N 3.44Å; N257-C263 WeakPolarHBondContact O-CA 3.3Å; N257-I264 HydrophobicContact CB-CD1 4.36Å; N257-I264 HydrophobicContact CB-CG1 3.8Å; N257-I264 PolarHBondContact O-N 2.8Å; N257-L265 HydrophobicContact CB-CD1 3.96Å; N257-L265 HydrophobicContact CB-CD2 3.86Å; N257-L265 HydrophobicContact CB-CG 3.6Å
258	F	86.6	Confident	85.3	Confident	50 Å²	50	68.5 Å²	68.5	22%	0.219	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	105.4	174.5	-150.1	-92.9	0	0	0	108.5	I254 G261 Q262 C263 T368 N369	I254-F258 HydrophobicContact CG2-CD2 4.48Å; I254-F258 PolarHBondContact O-N 3.42Å; I254-F258 VanDerWaalsContact O-N 3.12Å; F258-G261 WeakPolarHBondContact CE1-O 3.4Å; F258-G261 WeakPolarHBondContact CZ-O 3.42Å; F258-Q262 CarbonylContact C-O 3.59Å; F258-Q262 WeakPolarHBondContact CA-O 3.43Å; F258-C263 HydrophobicContact CD2-CB 3.74Å; F258-C263 HydrophobicContact CE2-CB 3.89Å; F258-T368 WeakPolarHBondContact CZ-O 3.45Å; F258-N369 HydrophobicContact CB-CB 4.23Å; F258-N369 HydrophobicContact CD1-CB 3.83Å; F258-N369 HydrophobicContact CD2-CB 3.52Å; F258-N369 HydrophobicContact CE1-CB 3.97Å; F258-N369 HydrophobicContact CE2-CB 3.68Å; F258-N369 HydrophobicContact CG-CB 3.59Å; F258-N369 HydrophobicContact CZ-CB 3.91Å
259	L	81.9	Confident	85.3	Confident	107 Å²	107	69.5 Å²	69.5	56%	0.56	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.2	-172.4	-173.4	65.3	0	0	0	109.1	G261 Q262 I264	L259-G261 PolarHBondContact O-N 2.89Å; L259-Q262 PolarHBondContact N-O 2.83Å; L259-Q262 PolarHBondContact O-N 3.04Å; L259-Q262 VanDerWaalsContact O-O 3.1Å; L259-I264 HydrophobicContact CB-CG2 4.21Å
260	D	77.7	Confident	85.2	Confident	152 Å²	152	68.2 Å²	68.2	81%	0.813	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	35.1	178.2	-55.6	-27	0	0	0	114.8
261	G	73.7	Confident	85.1	Confident	58 Å²	58	68.5 Å²	68.5	60%	0.598	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	5.1	-179.8	0	0	0	0	0	115.4	F258 L259	F258-G261 WeakPolarHBondContact CE1-O 3.4Å; F258-G261 WeakPolarHBondContact CZ-O 3.42Å; L259-G261 PolarHBondContact O-N 2.89Å
262	Q	74.9	Confident	85	Confident	146 Å²	146	69.3 Å²	69.3	68%	0.682	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.8	-177.1	-56.4	-172.7	24.8	0	0	112.1	F258 L259	F258-Q262 CarbonylContact C-O 3.59Å; F258-Q262 WeakPolarHBondContact CA-O 3.43Å; L259-Q262 PolarHBondContact N-O 2.83Å; L259-Q262 PolarHBondContact O-N 3.04Å; L259-Q262 VanDerWaalsContact O-O 3.1Å
263	C	81.3	Confident	85.1	Confident	34 Å²	34	67.9 Å²	67.9	23%	0.23	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	118	171.9	-170.2	0	0	0	0	110	N257 F258 L265	N257-C263 WeakPolarHBondContact O-CA 3.3Å; F258-C263 HydrophobicContact CD2-CB 3.74Å; F258-C263 HydrophobicContact CE2-CB 3.89Å; C263-L265 PolarHBondContact O-N 3.26Å
264	I	83.9	Confident	85.4	Confident	107 Å²	107	67 Å²	67	55%	0.549	34%	0.336	S	S	.	.			trans	-78.5	-8.1	-180	70.8	175.8	0	0	0	112.9	N257 L259	N257-I264 HydrophobicContact CB-CD1 4.36Å; N257-I264 HydrophobicContact CB-CG1 3.8Å; N257-I264 PolarHBondContact O-N 2.8Å; L259-I264 HydrophobicContact CB-CG2 4.21Å
265	L	85.2	Confident	85.5	Confident	28 Å²	28	68.7 Å²	68.7	15%	0.147	34%	0.344	C	S	.	.	S	Bend	trans	-73.3	130.8	175.8	-59.4	171	0	0	0	110.4	V253 I254 N257 C263 F267 L269 I270 W273	V253-L265 HydrophobicContact CG1-CD1 4.27Å; I254-L265 HydrophobicContact CD1-CD1 3.65Å; N257-L265 HydrophobicContact CB-CD1 3.96Å; N257-L265 HydrophobicContact CB-CD2 3.86Å; N257-L265 HydrophobicContact CB-CG 3.6Å; C263-L265 PolarHBondContact O-N 3.26Å; L265-F267 PolarHBondContact O-N 3.3Å; L265-L269 HydrophobicContact CD2-CD2 4.5Å; L265-I270 HydrophobicContact CB-CD1 4.14Å; L265-I270 HydrophobicContact CB-CG1 4.26Å; L265-W273 HydrophobicContact CD1-CH2 3.9Å; L265-W273 HydrophobicContact CD1-CZ3 3.88Å
266	K	84.3	Confident	85.7	Confident	169 Å²	169	63.6 Å²	63.6	74%	0.735	33%	0.325	S	S	*	.			trans	-60.6	128.2	-179.7	-59.4	176.4	-176.9	171.3	0	110.1	P268 L269	K266-P268 VanDerWaalsContact C-N 3.29Å; K266-P268 VanDerWaalsContact O-N 3.08Å; K266-L269 WeakPolarHBondContact O-CB 3.49Å; K266-L269 PolarHBondContact O-N 3.43Å
267	F	86	Confident	86.1	Confident	72 Å²	72	56.2 Å²	56.2	32%	0.316	29%	0.293	S	S	.	.	H	α-helix	trans	-46.5	-39.7	-179.4	-173.6	-99	0	0	0	115.2	L265 L269 I270 T271 W274 M367 L403	L265-F267 PolarHBondContact O-N 3.3Å; F267-L269 VanDerWaalsContact C-N 3.33Å; F267-L269 PolarHBondContact O-N 3.09Å; F267-I270 PolarHBondContact O-N 3.04Å; F267-T271 VanDerWaalsContact CE1-OG1 3.3Å; F267-T271 WeakPolarHBondContact CE1-OG1 3.42Å; F267-T271 WeakPolarHBondContact O-CB 3.45Å; F267-T271 PolarHBondContact O-N 3.36Å; F267-T271 PolarHBondContact O-OG1 2.86Å; F267-W274 HydrophobicContact CE2-CH2 4.45Å; F267-W274 HydrophobicContact CE2-CZ3 4.17Å; F267-W274 HydrophobicContact CZ-CZ3 4.27Å; F267-M367 HydrophobicContact CD2-CE 3.99Å; F267-M367 HydrophobicContact CD2-SD 4.29Å; F267-M367 HydrophobicContact CE2-CE 4.07Å; F267-M367 HydrophobicContact CE2-SD 4Å; F267-L403 HydrophobicContact CE2-CD2 4.02Å; F267-L403 HydrophobicContact CZ-CD2 4.39Å
268	P	83.4	Confident	86.5	Confident	53 Å²	53	54.1 Å²	54.1	34%	0.344	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-31.5	177.4	-22.9	35	0	0	0	114.8	K266 T271 R272 Y433	K266-P268 VanDerWaalsContact C-N 3.29Å; K266-P268 VanDerWaalsContact O-N 3.08Å; P268-T271 WeakPolarHBondContact O-CB 3.43Å; P268-T271 PolarHBondContact O-N 2.92Å; P268-R272 WeakPolarHBondContact O-CB 2.9Å; P268-R272 PolarHBondContact O-N 3.32Å; P268-Y433 HydrophobicContact CB-CD2 3.41Å; P268-Y433 VanDerWaalsContact CB-CD2 3.41Å; P268-Y433 HydrophobicContact CB-CE1 4.49Å; P268-Y433 HydrophobicContact CB-CE2 3.34Å; P268-Y433 HydrophobicContact CB-CG 4.02Å; P268-Y433 HydrophobicContact CG-CD2 4.45Å; P268-Y433 HydrophobicContact CG-CE2 4.31Å
269	L	86.2	Confident	86.8	Confident	45 Å²	45	53.4 Å²	53.4	24%	0.236	28%	0.281	C	S	.	.	H	α-helix	trans	-66.8	-44.4	175.1	176.3	62	0	0	0	110.9	L265 K266 F267 T271 R272 W273	L265-L269 HydrophobicContact CD2-CD2 4.5Å; K266-L269 WeakPolarHBondContact O-CB 3.49Å; K266-L269 PolarHBondContact O-N 3.43Å; F267-L269 VanDerWaalsContact C-N 3.33Å; F267-L269 PolarHBondContact O-N 3.09Å; L269-T271 VanDerWaalsContact C-N 3.3Å; L269-T271 PolarHBondContact O-N 3.12Å; L269-R272 WeakPolarHBondContact O-CB 3.43Å; L269-R272 PolarHBondContact O-N 3.46Å; L269-W273 HydrophobicContact CD1-CZ2 3.81Å; L269-W273 HydrophobicContact CD2-CH2 3.87Å; L269-W273 HydrophobicContact CD2-CZ2 3.68Å; L269-W273 HydrophobicContact CG-CD2 4.38Å; L269-W273 HydrophobicContact CG-CH2 3.97Å; L269-W273 HydrophobicContact CG-CZ2 3.58Å; L269-W273 HydrophobicContact CG-CZ3 4.49Å; L269-W273 PolarHBondContact O-N 3.33Å
270	I	89.6	Confident	87.4	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-63.7	-40.9	175.9	-57.2	173	0	0	0	110.3	L265 F267 R272 W273 W274 V366 M367	L265-I270 HydrophobicContact CB-CD1 4.14Å; L265-I270 HydrophobicContact CB-CG1 4.26Å; F267-I270 PolarHBondContact O-N 3.04Å; I270-R272 VanDerWaalsContact C-N 3.33Å; I270-R272 PolarHBondContact O-N 2.88Å; I270-W273 HydrophobicContact CG1-CE3 4.33Å; I270-W273 HydrophobicContact CG1-CZ3 4.26Å; I270-W273 PolarHBondContact O-N 3.31Å; I270-W274 HydrophobicContact CG2-CD2 3.98Å; I270-W274 HydrophobicContact CG2-CE3 4.28Å; I270-W274 HydrophobicContact CG2-CH2 3.93Å; I270-W274 HydrophobicContact CG2-CZ2 3.56Å; I270-W274 HydrophobicContact CG2-CZ3 4.26Å; I270-W274 PolarHBondContact O-N 2.87Å; I270-V366 HydrophobicContact CG2-CG1 3.45Å; I270-V366 VanDerWaalsContact CG2-CG1 3.45Å; I270-M367 HydrophobicContact CB-CE 4.31Å; I270-M367 HydrophobicContact CD1-CE 3.54Å; I270-M367 HydrophobicContact CG2-CE 3.81Å
271	T	89.5	Confident	88.3	Confident	6 Å²	6	41 Å²	41	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-41	176.2	-59.4	0	0	0	0	111.3	F267 P268 L269 W274 H275 L429 F430	F267-T271 VanDerWaalsContact CE1-OG1 3.3Å; F267-T271 WeakPolarHBondContact CE1-OG1 3.42Å; F267-T271 WeakPolarHBondContact O-CB 3.45Å; F267-T271 PolarHBondContact O-N 3.36Å; F267-T271 PolarHBondContact O-OG1 2.86Å; P268-T271 WeakPolarHBondContact O-CB 3.43Å; P268-T271 PolarHBondContact O-N 2.92Å; L269-T271 VanDerWaalsContact C-N 3.3Å; L269-T271 PolarHBondContact O-N 3.12Å; T271-W274 PolarHBondContact O-N 2.85Å; T271-H275 WeakPolarHBondContact O-CB 3.32Å; T271-H275 PolarHBondContact O-N 3.37Å; T271-L429 HydrophobicContact CG2-CD2 4.34Å; T271-L429 VanDerWaalsContact CG2-O 3.31Å; T271-L429 WeakPolarHBondContact CG2-O 3Å; T271-F430 HydrophobicContact CG2-CD1 4.18Å
272	R	87.9	Confident	89.2	Confident	53 Å²	53	39.8 Å²	39.8	20%	0.2	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-42.1	173.6	175.9	173.9	169.4	146.8	-2.3	112	P268 L269 I270 H275 Q276 N314 Y433 E435	P268-R272 WeakPolarHBondContact O-CB 2.9Å; P268-R272 PolarHBondContact O-N 3.32Å; L269-R272 WeakPolarHBondContact O-CB 3.43Å; L269-R272 PolarHBondContact O-N 3.46Å; I270-R272 VanDerWaalsContact C-N 3.33Å; I270-R272 PolarHBondContact O-N 2.88Å; R272-H275 PolarHBondContact O-N 3.38Å; R272-Q276 VanDerWaalsContact O-CG 3.31Å; R272-Q276 WeakPolarHBondContact O-CG 3.31Å; R272-Q276 PolarHBondContact O-N 3.44Å; R272-N314 PolarHBondContact NH2-OD1 3.07Å; R272-Y433 HydrophobicContact CB-CD1 3.98Å; R272-Y433 HydrophobicContact CB-CE1 4.3Å; R272-Y433 HydrophobicContact CG-CD1 4.46Å; R272-E435 IonicContact CZ-OE2 2.69Å; R272-E435 IonicContact NH1-OE2 3.38Å; R272-E435 PolarHBondContact NH1-OE2 3.07Å
273	W	92.6	Very high	90.1	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-63.6	-43.7	175	-63.1	-27.9	0	0	0	112.2	L250 V253 I254 L265 L269 I270 H275 Q276 I277 L304 L313 V315	L250-W273 HydrophobicContact CD1-CD2 4.08Å; L250-W273 HydrophobicContact CD1-CE3 3.34Å; L250-W273 HydrophobicContact CD1-CH2 4.42Å; L250-W273 HydrophobicContact CD1-CZ3 3.54Å; V253-W273 HydrophobicContact CG1-CH2 4.14Å; I254-W273 HydrophobicContact CD1-CZ3 4Å; L265-W273 HydrophobicContact CD1-CH2 3.9Å; L265-W273 HydrophobicContact CD1-CZ3 3.88Å; L269-W273 HydrophobicContact CD1-CZ2 3.81Å; L269-W273 HydrophobicContact CD2-CH2 3.87Å; L269-W273 HydrophobicContact CD2-CZ2 3.68Å; L269-W273 HydrophobicContact CG-CD2 4.38Å; L269-W273 HydrophobicContact CG-CH2 3.97Å; L269-W273 HydrophobicContact CG-CZ2 3.58Å; L269-W273 HydrophobicContact CG-CZ3 4.49Å; L269-W273 PolarHBondContact O-N 3.33Å; I270-W273 HydrophobicContact CG1-CE3 4.33Å; I270-W273 HydrophobicContact CG1-CZ3 4.26Å; I270-W273 PolarHBondContact O-N 3.31Å; W273-H275 PolarHBondContact O-N 3.36Å; W273-Q276 PolarHBondContact O-N 3.45Å; W273-I277 WeakPolarHBondContact O-CG1 3.29Å; W273-I277 PolarHBondContact O-N 2.93Å; W273-L304 HydrophobicContact CD2-CD2 4.12Å; W273-L304 HydrophobicContact CG-CD2 4.39Å; W273-L304 HydrophobicContact CH2-CD1 4.49Å; W273-L304 HydrophobicContact CZ2-CD1 4.43Å; W273-L304 HydrophobicContact CZ2-CD2 3.94Å; W273-L313 HydrophobicContact CZ2-CD2 4.1Å; W273-L313 PolarHBondContact NE1-O 3.03Å; W273-V315 HydrophobicContact CB-CB 4.39Å; W273-V315 HydrophobicContact CB-CG1 3.93Å; W273-V315 HydrophobicContact CG-CB 4.39Å; W273-V315 HydrophobicContact CG-CG1 4.36Å; W273-V315 WeakPolarHBondContact O-CG1 3.41Å
274	W	94.7	Very high	90.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-41	174.7	-66.6	-27.2	0	0	0	112.8	F267 I270 T271 Q276 I277 L278 F359 M363 V366 M367 L403 F430	F267-W274 HydrophobicContact CE2-CH2 4.45Å; F267-W274 HydrophobicContact CE2-CZ3 4.17Å; F267-W274 HydrophobicContact CZ-CZ3 4.27Å; I270-W274 HydrophobicContact CG2-CD2 3.98Å; I270-W274 HydrophobicContact CG2-CE3 4.28Å; I270-W274 HydrophobicContact CG2-CH2 3.93Å; I270-W274 HydrophobicContact CG2-CZ2 3.56Å; I270-W274 HydrophobicContact CG2-CZ3 4.26Å; I270-W274 PolarHBondContact O-N 2.87Å; T271-W274 PolarHBondContact O-N 2.85Å; W274-Q276 VanDerWaalsContact C-N 3.32Å; W274-Q276 PolarHBondContact O-N 2.96Å; W274-I277 PolarHBondContact O-N 3.18Å; W274-L278 WeakPolarHBondContact O-CG 3.3Å; W274-L278 PolarHBondContact O-N 3Å; W274-F359 HydrophobicContact CB-CE2 4.23Å; W274-F359 HydrophobicContact CB-CZ 4Å; W274-F359 HydrophobicContact CG-CZ 4.46Å; W274-M363 HydrophobicContact CD2-CG 3.84Å; W274-M363 HydrophobicContact CD2-SD 4.31Å; W274-M363 HydrophobicContact CE3-CG 4.43Å; W274-M363 HydrophobicContact CE3-SD 4.41Å; W274-M363 HydrophobicContact CG-CG 4.07Å; W274-M363 HydrophobicContact CH2-CB 4.39Å; W274-M363 HydrophobicContact CZ2-CB 3.84Å; W274-M363 HydrophobicContact CZ2-CG 3.99Å; W274-M363 WeakPolarHBondContact CZ2-O 3.47Å; W274-V366 HydrophobicContact CZ2-CB 4.22Å; W274-V366 HydrophobicContact CZ2-CG1 3.86Å; W274-M367 HydrophobicContact CH2-CE 3.6Å; W274-M367 HydrophobicContact CH2-CG 3.6Å; W274-M367 HydrophobicContact CH2-SD 3.84Å; W274-M367 HydrophobicContact CZ2-CE 3.99Å; W274-M367 HydrophobicContact CZ2-CG 3.82Å; W274-M367 HydrophobicContact CZ2-SD 4.48Å; W274-M367 HydrophobicContact CZ3-CE 4.5Å; W274-L403 HydrophobicContact CH2-CD1 3.86Å; W274-L403 HydrophobicContact CH2-CD2 3.67Å; W274-L403 HydrophobicContact CH2-CG 4.44Å; W274-L403 HydrophobicContact CZ3-CD1 3.65Å; W274-L403 HydrophobicContact CZ3-CD2 4.02Å; W274-F430 HydrophobicContact CB-CD1 4Å; W274-F430 HydrophobicContact CB-CE1 3.65Å; W274-F430 HydrophobicContact CD2-CE1 4.44Å; W274-F430 AromaticContact CE3-CE1 3.95Å; W274-F430 HydrophobicContact CE3-CE1 3.95Å; W274-F430 HydrophobicContact CG-CE1 4.4Å
275	H	92.7	Very high	91	Very high	38 Å²	38	28.5 Å²	28.5	18%	0.176	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-37.8	174.6	-171.6	-114.2	0	0	0	112.4	T271 R272 W273 L278 D279 Y425 F430	T271-H275 WeakPolarHBondContact O-CB 3.32Å; T271-H275 PolarHBondContact O-N 3.37Å; R272-H275 PolarHBondContact O-N 3.38Å; W273-H275 PolarHBondContact O-N 3.36Å; H275-L278 PolarHBondContact O-N 2.87Å; H275-D279 PolarHBondContact O-N 3.35Å; H275-Y425 AromaticContact CD2-CD2 3.86Å; H275-Y425 AromaticContact CD2-CE2 3.93Å; H275-Y425 AromaticContact CE1-CE2 3.62Å; H275-Y425 AromaticContact CE1-CZ 3.53Å; H275-Y425 AromaticContact NE2-CD1 3.91Å; H275-Y425 AromaticContact NE2-CD2 3.7Å; H275-Y425 AromaticContact NE2-CE1 3.63Å; H275-Y425 AromaticContact NE2-CE2 3.42Å; H275-Y425 WeakPolarHBondContact NE2-CE2 3.33Å; H275-Y425 AromaticContact NE2-CG 3.94Å; H275-Y425 AromaticContact NE2-CZ 3.38Å; H275-F430 HydrophobicContact CB-CB 4.17Å
276	Q	93.2	Very high	91.1	Very high	15 Å²	15	30.7 Å²	30.7	7%	0.07	14%	0.142	C	C	.	.	H	α-helix	trans	-70.6	-36.4	175.3	-73.2	178.7	-11.8	0	0	113.1	H212 R272 W273 W274 D279 A280 N314 V315	H212-Q276 HydrophobicContact CB-CB 4.46Å; H212-Q276 WeakPolarHBondContact CB-O 3.31Å; H212-Q276 VanDerWaalsContact CE1-CG 3.49Å; H212-Q276 WeakPolarHBondContact CE1-CG 3.36Å; H212-Q276 PolarHBondContact CE1-NE2 2.91Å; R272-Q276 VanDerWaalsContact O-CG 3.31Å; R272-Q276 WeakPolarHBondContact O-CG 3.31Å; R272-Q276 PolarHBondContact O-N 3.44Å; W273-Q276 PolarHBondContact O-N 3.45Å; W274-Q276 VanDerWaalsContact C-N 3.32Å; W274-Q276 PolarHBondContact O-N 2.96Å; Q276-D279 WeakPolarHBondContact O-CB 3.49Å; Q276-D279 PolarHBondContact O-N 3.23Å; Q276-A280 PolarHBondContact O-N 3.21Å; Q276-N314 PolarHBondContact NE2-OD1 2.97Å; Q276-V315 HydrophobicContact CB-CG1 3.67Å
277	I	95.6	Very high	91.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-42.5	171.5	-67.8	161.4	0	0	0	110.2	L250 W273 W274 D279 A280 L281 L297 C302 V315 V317 F359 L362	L250-I277 HydrophobicContact CD2-CD1 4.3Å; W273-I277 WeakPolarHBondContact O-CG1 3.29Å; W273-I277 PolarHBondContact O-N 2.93Å; W274-I277 PolarHBondContact O-N 3.18Å; I277-D279 VanDerWaalsContact C-N 3.34Å; I277-D279 PolarHBondContact O-N 2.83Å; I277-A280 WeakPolarHBondContact O-CB 3.41Å; I277-A280 PolarHBondContact O-N 3.03Å; I277-L281 HydrophobicContact CG2-CD1 4.38Å; I277-L281 WeakPolarHBondContact O-CG 3.34Å; I277-L281 PolarHBondContact O-N 3.23Å; I277-L297 HydrophobicContact CG2-CD1 4.29Å; I277-L297 HydrophobicContact CG2-CD2 4.32Å; I277-C302 HydrophobicContact CD1-CB 4.36Å; I277-V315 HydrophobicContact CD1-CG1 4.35Å; I277-V315 HydrophobicContact CG1-CG1 3.89Å; I277-V315 HydrophobicContact CG1-CG2 4.47Å; I277-V317 HydrophobicContact CB-CG2 4.32Å; I277-V317 HydrophobicContact CG1-CG2 4.12Å; I277-V317 HydrophobicContact CG2-CG2 4.04Å; I277-F359 HydrophobicContact CB-CE2 4.17Å; I277-F359 HydrophobicContact CG2-CD2 3.74Å; I277-F359 HydrophobicContact CG2-CE2 3.84Å; I277-L362 HydrophobicContact CD1-CD1 4.3Å; I277-L362 HydrophobicContact CD1-CD2 4.07Å
278	L	95.6	Very high	91.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.2	-40.1	174.5	-75.7	167.6	0	0	0	112.3	W274 H275 A280 L281 R282 F359 L424 Y425 F430	W274-L278 WeakPolarHBondContact O-CG 3.3Å; W274-L278 PolarHBondContact O-N 3Å; H275-L278 PolarHBondContact O-N 2.87Å; L278-A280 VanDerWaalsContact C-N 3.33Å; L278-A280 PolarHBondContact O-N 3.28Å; L278-L281 HydrophobicContact CD2-CD1 4.46Å; L278-L281 PolarHBondContact O-N 2.69Å; L278-R282 VanDerWaalsContact O-CG 3.24Å; L278-R282 WeakPolarHBondContact O-CG 3.45Å; L278-R282 PolarHBondContact O-N 2.77Å; L278-F359 HydrophobicContact CD1-CE1 3.94Å; L278-F359 HydrophobicContact CD1-CZ 3.7Å; L278-F359 HydrophobicContact CD2-CD1 4.02Å; L278-F359 HydrophobicContact CD2-CE1 3.63Å; L278-F359 HydrophobicContact CD2-CE2 4.36Å; L278-F359 HydrophobicContact CD2-CZ 3.82Å; L278-F359 HydrophobicContact CG-CE1 3.83Å; L278-F359 HydrophobicContact CG-CE2 4.03Å; L278-F359 HydrophobicContact CG-CZ 3.49Å; L278-F359 VanDerWaalsContact CG-CZ 3.49Å; L278-L424 HydrophobicContact CD1-CB 3.89Å; L278-L424 HydrophobicContact CD2-CB 3.55Å; L278-L424 HydrophobicContact CD2-CD1 3.83Å; L278-L424 HydrophobicContact CD2-CG 4.36Å; L278-L424 HydrophobicContact CG-CB 4.38Å; L278-Y425 HydrophobicContact CB-CD2 4.2Å; L278-F430 HydrophobicContact CD1-CD1 4.25Å; L278-F430 HydrophobicContact CD1-CD2 3.97Å; L278-F430 HydrophobicContact CD1-CE1 4.17Å; L278-F430 HydrophobicContact CD1-CE2 3.87Å; L278-F430 HydrophobicContact CD1-CG 4.16Å; L278-F430 HydrophobicContact CD1-CZ 3.97Å
279	D	94.1	Very high	90.9	Very high	35 Å²	35	33.2 Å²	33.2	19%	0.187	15%	0.151	C	C	.	.	H	α-helix	trans	-59.8	-43.7	175.2	-153.2	44.2	0	0	0	111.8	H210 H212 H275 Q276 I277 R282 Y283 Y425	H210-D279 IonicContact CE1-OD2 3.08Å; H210-D279 PolarHBondContact CE1-OD2 3.41Å; H210-D279 IonicContact NE2-OD2 3.79Å; H210-D279 PolarHBondContact NE2-OD2 3.28Å; H212-D279 IonicContact CD2-OD2 3.44Å; H275-D279 PolarHBondContact O-N 3.35Å; Q276-D279 WeakPolarHBondContact O-CB 3.49Å; Q276-D279 PolarHBondContact O-N 3.23Å; I277-D279 VanDerWaalsContact C-N 3.34Å; I277-D279 PolarHBondContact O-N 2.83Å; D279-R282 PolarHBondContact O-N 2.91Å; D279-R282 IonicContact OD1-NH1 3.32Å; D279-Y283 PolarHBondContact O-N 3.19Å; D279-Y425 HydrophobicContact CB-CD2 4.27Å; D279-Y425 HydrophobicContact CB-CE2 3.78Å; D279-Y425 WeakPolarHBondContact OD1-CE2 3.48Å
280	A	94.4	Very high	90.7	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-42.7	174.3	0	0	0	0	0	112.8	H212 I213 Q276 I277 L278 Y283 M284 V317	H212-A280 HydrophobicContact CB-CB 4.14Å; H212-A280 WeakPolarHBondContact O-CB 3.27Å; I213-A280 HydrophobicContact CD1-CB 4.29Å; I213-A280 HydrophobicContact CG1-CB 3.78Å; Q276-A280 PolarHBondContact O-N 3.21Å; I277-A280 WeakPolarHBondContact O-CB 3.41Å; I277-A280 PolarHBondContact O-N 3.03Å; L278-A280 VanDerWaalsContact C-N 3.33Å; L278-A280 PolarHBondContact O-N 3.28Å; A280-Y283 PolarHBondContact O-N 2.98Å; A280-M284 WeakPolarHBondContact O-CG 3.34Å; A280-M284 PolarHBondContact O-N 3.43Å; A280-M284 VanDerWaalsContact O-N 3.17Å; A280-V317 HydrophobicContact CB-CB 4.3Å; A280-V317 HydrophobicContact CB-CG2 3.83Å
281	L	95.3	Very high	90.5	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-47.6	174.8	-70.9	176.9	0	0	0	111.3	I277 L278 Y283 M284 H285 L297 D355 F359 A421	I277-L281 HydrophobicContact CG2-CD1 4.38Å; I277-L281 WeakPolarHBondContact O-CG 3.34Å; I277-L281 PolarHBondContact O-N 3.23Å; L278-L281 HydrophobicContact CD2-CD1 4.46Å; L278-L281 PolarHBondContact O-N 2.69Å; L281-Y283 VanDerWaalsContact C-N 3.29Å; L281-Y283 PolarHBondContact O-N 3.45Å; L281-M284 HydrophobicContact CD2-CE 3.8Å; L281-M284 PolarHBondContact O-N 2.84Å; L281-M284 VanDerWaalsContact O-N 3.09Å; L281-H285 WeakPolarHBondContact O-CB 3.39Å; L281-H285 PolarHBondContact O-N 3.05Å; L281-L297 HydrophobicContact CD1-CD2 3.98Å; L281-L297 HydrophobicContact CD2-CD2 4.2Å; L281-D355 HydrophobicContact CD2-CB 3.94Å; L281-F359 HydrophobicContact CD1-CB 4.19Å; L281-F359 HydrophobicContact CD1-CD2 4.37Å; L281-F359 HydrophobicContact CD1-CG 4.31Å; L281-A421 HydrophobicContact CB-CB 3.97Å
282	R	93.9	Very high	90.3	Very high	31 Å²	31	33.7 Å²	33.7	12%	0.117	16%	0.157	C	C	.	.	H	α-helix	trans	-58.7	-38	177	-70.7	173.6	65.6	-145.4	8.7	113.3	L278 D279 H286 K287 A421 D422 Y425	L278-R282 VanDerWaalsContact O-CG 3.24Å; L278-R282 WeakPolarHBondContact O-CG 3.45Å; L278-R282 PolarHBondContact O-N 2.77Å; D279-R282 PolarHBondContact O-N 2.91Å; D279-R282 IonicContact OD1-NH1 3.32Å; R282-H286 WeakPolarHBondContact O-CA 3.28Å; R282-H286 WeakPolarHBondContact O-CB 3.46Å; R282-H286 PolarHBondContact O-N 3.35Å; R282-K287 PolarHBondContact O-N 2.96Å; R282-A421 HydrophobicContact CB-CB 4.47Å; R282-A421 WeakPolarHBondContact CD-O 3.42Å; R282-A421 VanDerWaalsContact CG-C 3.45Å; R282-A421 HydrophobicContact CG-CB 3.55Å; R282-A421 WeakPolarHBondContact CG-O 3.29Å; R282-D422 WeakPolarHBondContact CG-OD1 3.39Å; R282-D422 IonicContact CZ-OD1 2.71Å; R282-D422 IonicContact CZ-OD2 3.63Å; R282-D422 IonicContact NE-OD1 3.42Å; R282-D422 PolarHBondContact NE-OD1 3.46Å; R282-D422 IonicContact NE-OD2 2.71Å; R282-D422 PolarHBondContact NE-OD2 3.01Å; R282-D422 IonicContact NH2-OD1 2.66Å; R282-D422 IonicContact NH2-OD2 2.68Å; R282-D422 PolarHBondContact NH2-OD2 2.89Å; R282-Y425 VanDerWaalsContact NH1-CD1 3.3Å; R282-Y425 VanDerWaalsContact NH1-CE1 3.28Å
283	Y	93.8	Very high	90.1	Very high	44 Å²	44	31.2 Å²	31.2	17%	0.173	15%	0.147	C	C	.	.	I	π-helix	trans	-62	-46.2	174.6	174.1	-98.4	0	0	0	111.4	M208 N209 H210 I213 D279 A280 L281 K287 I288	M208-Y283 HydrophobicContact CB-CE1 4.22Å; M208-Y283 HydrophobicContact CG-CE1 4.37Å; N209-Y283 PolarHBondContact N-OH 3.34Å; N209-Y283 PolarHBondContact O-OH 3.02Å; H210-Y283 HydrophobicContact CB-CD1 3.87Å; H210-Y283 HydrophobicContact CB-CD2 4.44Å; H210-Y283 HydrophobicContact CB-CE1 3.96Å; H210-Y283 HydrophobicContact CB-CG 4.11Å; H210-Y283 AromaticContact CD2-CD2 3.64Å; H210-Y283 AromaticContact CD2-CG 3.59Å; H210-Y283 AromaticContact CG-CG 3.91Å; I213-Y283 HydrophobicContact CD1-CD1 3.62Å; I213-Y283 HydrophobicContact CD1-CE1 4.08Å; D279-Y283 PolarHBondContact O-N 3.19Å; A280-Y283 PolarHBondContact O-N 2.98Å; L281-Y283 VanDerWaalsContact C-N 3.29Å; L281-Y283 PolarHBondContact O-N 3.45Å; Y283-K287 HydrophobicContact CD2-CB 3.95Å; Y283-K287 HydrophobicContact CD2-CG 4.35Å; Y283-K287 WeakPolarHBondContact O-CA 3.32Å; Y283-K287 WeakPolarHBondContact O-CB 3.21Å; Y283-K287 PolarHBondContact O-N 3.39Å; Y283-K287 VanDerWaalsContact O-N 3.09Å; Y283-I288 HydrophobicContact CD1-CD1 4.13Å; Y283-I288 HydrophobicContact CE1-CD1 3.52Å; Y283-I288 HydrophobicContact CE1-CG1 4.29Å; Y283-I288 PolarHBondContact O-N 2.65Å
284	M	90.9	Very high	89.7	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	I	π-helix	trans	-70.9	-37.7	178.8	-66.8	-173.6	-62.3	0	0	113.7	M208 I213 A280 L281 I292 F320	M208-M284 HydrophobicContact SD-CG 3.87Å; M208-M284 HydrophobicContact SD-SD 3.85Å; I213-M284 HydrophobicContact CD1-CG 3.88Å; I213-M284 HydrophobicContact CD1-SD 4.07Å; A280-M284 WeakPolarHBondContact O-CG 3.34Å; A280-M284 PolarHBondContact O-N 3.43Å; A280-M284 VanDerWaalsContact O-N 3.17Å; L281-M284 HydrophobicContact CD2-CE 3.8Å; L281-M284 PolarHBondContact O-N 2.84Å; L281-M284 VanDerWaalsContact O-N 3.09Å; M284-I292 HydrophobicContact CB-CB 4.15Å; M284-I292 PolarHBondContact O-N 3.32Å; M284-I292 HydrophobicContact SD-CG2 4.45Å; M284-F320 HydrophobicContact CE-CE1 4.24Å; M284-F320 HydrophobicContact SD-CD1 4.28Å; M284-F320 HydrophobicContact SD-CE1 3.49Å; M284-F320 WeakPolarHBondContact SD-CE1 3.44Å; M284-F320 HydrophobicContact SD-CZ 4.27Å
285	H	92.3	Very high	89.1	Confident	6 Å²	6	32.4 Å²	32.4	3%	0.028	15%	0.152	C	C	.	.	I	π-helix	trans	-83.3	-35.3	-175.6	-61.5	170.1	0	0	0	113.3	L281 P291 I292 E352 D355	L281-H285 WeakPolarHBondContact O-CB 3.39Å; L281-H285 PolarHBondContact O-N 3.05Å; H285-P291 WeakPolarHBondContact O-CB 3.44Å; H285-P291 WeakPolarHBondContact O-CG 3.45Å; H285-I292 PolarHBondContact CD2-O 2.81Å; H285-E352 HydrophobicContact CB-CB 4.27Å; H285-E352 HydrophobicContact CB-CG 4.3Å; H285-D355 IonicContact CD2-OD2 2.71Å; H285-D355 IonicContact CE1-OD2 3.74Å; H285-D355 IonicContact NE2-OD2 2.73Å; H285-D355 PolarHBondContact NE2-OD2 3.19Å
286	H	86.9	Confident	88.7	Confident	74 Å²	74	31.3 Å²	31.3	34%	0.343	15%	0.147	S	C	.	.	I	π-helix	trans	-128.3	-8	-168.8	-50.6	141.7	0	0	0	115.5	R282 D422	R282-H286 WeakPolarHBondContact O-CA 3.28Å; R282-H286 WeakPolarHBondContact O-CB 3.46Å; R282-H286 PolarHBondContact O-N 3.35Å; H286-D422 IonicContact CE1-OD1 3.57Å; H286-D422 PolarHBondContact CE1-OD1 3.02Å; H286-D422 IonicContact CG-OD1 3.85Å; H286-D422 IonicContact ND1-OD1 2.68Å; H286-D422 PolarHBondContact ND1-OD1 2.81Å
287	K	86	Confident	88.5	Confident	153 Å²	153	30.6 Å²	30.6	67%	0.665	14%	0.144	S	C	*	.	I	π-helix	trans	-109.2	-20.8	177	-57.2	-59.1	-178.5	-167.6	0	114.1	R282 Y283	R282-K287 PolarHBondContact O-N 2.96Å; Y283-K287 HydrophobicContact CD2-CB 3.95Å; Y283-K287 HydrophobicContact CD2-CG 4.35Å; Y283-K287 WeakPolarHBondContact O-CA 3.32Å; Y283-K287 WeakPolarHBondContact O-CB 3.21Å; Y283-K287 PolarHBondContact O-N 3.39Å; Y283-K287 VanDerWaalsContact O-N 3.09Å
288	I	84.4	Confident	88.2	Confident	28 Å²	28	32 Å²	32	14%	0.144	15%	0.15	C	C	.	.	S	Bend	trans	-104.8	132.9	173	-61.6	174.8	0	0	0	108.8	M208 Y283 P290 P291 I292	M208-I288 HydrophobicContact CG-CD1 3.84Å; Y283-I288 HydrophobicContact CD1-CD1 4.13Å; Y283-I288 HydrophobicContact CE1-CD1 3.52Å; Y283-I288 HydrophobicContact CE1-CG1 4.29Å; Y283-I288 PolarHBondContact O-N 2.65Å; I288-P290 CarbonylContact O-C 3.55Å; I288-P291 WeakPolarHBondContact O-CA 3.18Å; I288-I292 HydrophobicContact CB-CD1 4.31Å; I288-I292 HydrophobicContact CD1-CD1 3.64Å; I288-I292 HydrophobicContact CG2-CD1 3.87Å; I288-I292 HydrophobicContact CG2-CG1 4.11Å
289	Q	79.9	Confident	87.9	Confident	166 Å²	166	32.1 Å²	32.1	78%	0.776	15%	0.151	S	C	*	.	S	Bend	trans	-120	127.3	176	-175	64.2	19.8	0	0	109.4
290	P	81.5	Confident	87.7	Confident	40 Å²	40	32.9 Å²	32.9	26%	0.26	16%	0.155	S	C	.	.	S	Bend	cis	-64.7	156.8	-8.1	31.3	-37.4	0	0	0	112.3	I288 H325	I288-P290 CarbonylContact O-C 3.55Å; P290-H325 HydrophobicContact CB-CB 4.42Å; P290-H325 HydrophobicContact CG-CB 3.86Å
291	P	85.2	Confident	87.5	Confident	24 Å²	24	33.3 Å²	33.3	16%	0.156	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-59	144	179.8	-25.6	35.9	0	0	0	112.8	H285 I288 H325 V326	H285-P291 WeakPolarHBondContact O-CB 3.44Å; H285-P291 WeakPolarHBondContact O-CG 3.45Å; I288-P291 WeakPolarHBondContact O-CA 3.18Å; P291-H325 WeakPolarHBondContact O-CA 3.26Å; P291-V326 HydrophobicContact CB-CG2 3.9Å; P291-V326 PolarHBondContact O-N 3.43Å
292	I	84.9	Confident	87.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.5	176.5	-60.8	170.4	0	0	0	109.2	I204 M208 M284 H285 I288 A323	I204-I292 HydrophobicContact CG2-CD1 3.4Å; I204-I292 VanDerWaalsContact CG2-CD1 3.4Å; I204-I292 HydrophobicContact CG2-CG1 3.76Å; M208-I292 HydrophobicContact CG-CD1 3.82Å; M208-I292 HydrophobicContact SD-CD1 3.66Å; M208-I292 HydrophobicContact SD-CG2 4.4Å; M284-I292 HydrophobicContact CB-CB 4.15Å; M284-I292 PolarHBondContact O-N 3.32Å; M284-I292 HydrophobicContact SD-CG2 4.45Å; H285-I292 PolarHBondContact CD2-O 2.81Å; I288-I292 HydrophobicContact CB-CD1 4.31Å; I288-I292 HydrophobicContact CD1-CD1 3.64Å; I288-I292 HydrophobicContact CG2-CD1 3.87Å; I288-I292 HydrophobicContact CG2-CG1 4.11Å; I292-A323 HydrophobicContact CG2-CB 4.27Å
293	L	84.4	Confident	87.4	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.4	173.2	-55.8	-175.3	0	0	0	110.3	R295 A323 T324 V326 S329 Y350 E352 D355	L293-R295 HydrophobicContact CB-CG 4.04Å; L293-A323 WeakPolarHBondContact O-CA 3.32Å; L293-A323 WeakPolarHBondContact O-CB 3.44Å; L293-T324 PolarHBondContact N-O 3.5Å; L293-T324 PolarHBondContact O-N 3.38Å; L293-V326 HydrophobicContact CD1-CG2 3.96Å; L293-V326 HydrophobicContact CD2-CG2 3.7Å; L293-V326 HydrophobicContact CG-CG2 3.76Å; L293-S329 WeakPolarHBondContact CD1-OG 3.14Å; L293-Y350 HydrophobicContact CD1-CD2 3.77Å; L293-Y350 HydrophobicContact CD1-CE2 3.5Å; L293-E352 VanDerWaalsContact CD2-CA 3.44Å; L293-E352 HydrophobicContact CD2-CB 3.91Å; L293-D355 WeakPolarHBondContact CA-OD2 3.37Å
294	H	85.2	Confident	87.3	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.			trans	-82.9	-41.7	176.2	-165.6	-63.5	0	0	0	112.5	D296 L297 V317 G318 F320 D355	H294-D296 PolarHBondContact CE1-O 2.98Å; H294-D296 VanDerWaalsContact ND1-C 3.33Å; H294-D296 PolarHBondContact ND1-N 3.01Å; H294-D296 PolarHBondContact ND1-O 2.66Å; H294-D296 PolarHBondContact O-N 3.23Å; H294-L297 PolarHBondContact ND1-N 2.66Å; H294-V317 WeakPolarHBondContact CD2-CG1 3.09Å; H294-V317 WeakPolarHBondContact NE2-CG1 3.42Å; H294-G318 PolarHBondContact CE1-O 2.91Å; H294-G318 PolarHBondContact NE2-O 3.45Å; H294-F320 AromaticContact CD2-CD1 3.72Å; H294-F320 AromaticContact CD2-CE1 3.39Å; H294-F320 WeakPolarHBondContact CD2-CE1 3.45Å; H294-F320 AromaticContact NE2-CD1 3.94Å; H294-F320 AromaticContact NE2-CE1 3.74Å; H294-D355 WeakPolarHBondContact CB-OD1 3.43Å; H294-D355 PolarHBondContact N-OD1 2.95Å; H294-D355 VanDerWaalsContact N-OD1 3.16Å; H294-D355 PolarHBondContact N-OD2 3.03Å
295	R	81	Confident	87.2	Confident	27 Å²	27	34.8 Å²	34.8	10%	0.102	16%	0.164	C	C	.	.	S	Bend	trans	61.3	-19	-179.1	-58	-166.8	-67.6	176.2	-0.9	117.5	L293 L322 Y350 D355	L293-R295 HydrophobicContact CB-CG 4.04Å; R295-L322 HydrophobicContact CB-CB 4.43Å; R295-L322 PolarHBondContact NE-O 3Å; R295-L322 PolarHBondContact NH2-O 3.49Å; R295-Y350 VanDerWaalsContact CD-OH 3.3Å; R295-Y350 WeakPolarHBondContact CD-OH 3.32Å; R295-Y350 HydrophobicContact CG-CE2 4.34Å; R295-Y350 PolarHBondContact NH1-OH 2.85Å; R295-D355 PolarHBondContact N-OD1 3.44Å
296	D	83.4	Confident	86.6	Confident	14 Å²	14	36.2 Å²	36.2	8%	0.075	18%	0.181	C	C	.	.			trans	-128.5	47.4	176.3	-163.9	42.8	0	0	0	113.3	H294 K298 N301 L322 T337	H294-D296 PolarHBondContact CE1-O 2.98Å; H294-D296 VanDerWaalsContact ND1-C 3.33Å; H294-D296 PolarHBondContact ND1-N 3.01Å; H294-D296 PolarHBondContact ND1-O 2.66Å; H294-D296 PolarHBondContact O-N 3.23Å; D296-K298 VanDerWaalsContact CG-NZ 3.32Å; D296-K298 PolarHBondContact O-N 2.68Å; D296-K298 IonicContact OD1-NZ 3.75Å; D296-K298 PolarHBondContact OD1-NZ 2.77Å; D296-K298 IonicContact OD2-NZ 2.67Å; D296-K298 PolarHBondContact OD2-NZ 3.45Å; D296-N301 PolarHBondContact O-ND2 2.99Å; D296-N301 PolarHBondContact OD2-ND2 2.97Å; D296-L322 HydrophobicContact CB-CD1 4.14Å; D296-T337 WeakPolarHBondContact OD1-CB 3.22Å; D296-T337 PolarHBondContact OD1-N 2.71Å; D296-T337 VanDerWaalsContact OD1-N 3.12Å; D296-T337 PolarHBondContact OD1-OG1 2.86Å
297	L	89.7	Confident	85.6	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	21%	0.207	C	C	.	.			trans	-78.9	118.5	179.2	-174.9	72.7	0	0	0	111.1	I277 L281 H294 V317 F340 A358 F359 L362	I277-L297 HydrophobicContact CG2-CD1 4.29Å; I277-L297 HydrophobicContact CG2-CD2 4.32Å; L281-L297 HydrophobicContact CD1-CD2 3.98Å; L281-L297 HydrophobicContact CD2-CD2 4.2Å; H294-L297 PolarHBondContact ND1-N 2.66Å; L297-V317 HydrophobicContact CD1-CG1 3.87Å; L297-V317 HydrophobicContact CD1-CG2 4.36Å; L297-F340 WeakPolarHBondContact O-CD1 3.46Å; L297-A358 HydrophobicContact CB-CB 3.98Å; L297-F359 HydrophobicContact CD2-CB 3.77Å; L297-F359 HydrophobicContact CD2-CD2 4.35Å; L297-L362 HydrophobicContact CD1-CD1 4.25Å; L297-L362 HydrophobicContact CD2-CD1 4.5Å; L297-L362 HydrophobicContact CG-CD1 3.95Å
298	K	89.4	Confident	84.2	Confident	30 Å²	30	33.3 Å²	33.3	13%	0.13	19%	0.194	C	C	.	.	S	Bend	trans	-159.8	164.7	-178.8	68.4	-153.9	-173.1	-157.4	0	110.8	D296 D300 N301 C302 T337 F340	D296-K298 VanDerWaalsContact CG-NZ 3.32Å; D296-K298 PolarHBondContact O-N 2.68Å; D296-K298 IonicContact OD1-NZ 3.75Å; D296-K298 PolarHBondContact OD1-NZ 2.77Å; D296-K298 IonicContact OD2-NZ 2.67Å; D296-K298 PolarHBondContact OD2-NZ 3.45Å; K298-D300 HydrophobicContact CG-CB 4.24Å; K298-D300 PolarHBondContact O-N 3.32Å; K298-D300 VanDerWaalsContact O-N 3.13Å; K298-N301 WeakPolarHBondContact CE-ND2 3.34Å; K298-N301 WeakPolarHBondContact CE-OD1 3.17Å; K298-N301 HydrophobicContact CG-CB 4.19Å; K298-N301 PolarHBondContact O-N 3.01Å; K298-C302 PolarHBondContact O-N 2.84Å; K298-T337 HydrophobicContact CD-CG2 4.33Å; K298-T337 WeakPolarHBondContact CD-OG1 3.49Å; K298-T337 PolarHBondContact NZ-OG1 3.08Å; K298-F340 HydrophobicContact CB-CD1 3.91Å; K298-F340 HydrophobicContact CB-CD2 4.37Å; K298-F340 HydrophobicContact CB-CE1 3.68Å; K298-F340 HydrophobicContact CB-CE2 4.17Å; K298-F340 HydrophobicContact CB-CG 4.27Å; K298-F340 HydrophobicContact CB-CZ 3.83Å
299	A	90.4	Very high	83	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.008	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-13.8	-174.8	0	0	0	0	0	114.8	L250 K251 E365 V366	L250-A299 HydrophobicContact CB-CB 4.37Å; L250-A299 WeakPolarHBondContact CB-O 3.46Å; L250-A299 HydrophobicContact CD2-CB 4.32Å; L250-A299 HydrophobicContact CG-CB 4.23Å; L250-A299 PolarHBondContact N-O 3.37Å; K251-A299 HydrophobicContact CB-CB 3.82Å; K251-A299 HydrophobicContact CG-CB 4.38Å; K251-A299 PolarHBondContact N-O 2.78Å; A299-E365 HydrophobicContact CB-CG 4.3Å; A299-E365 WeakPolarHBondContact CB-OE2 3.2Å; A299-E365 PolarHBondContact N-OE2 3.03Å; A299-V366 HydrophobicContact CB-CG2 4.02Å
300	D	89.1	Confident	81.8	Confident	52 Å²	52	41.6 Å²	41.6	28%	0.278	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-26.3	168.4	-74.2	-53.8	0	0	0	113.1	T249 K251 K298	T249-D300 WeakPolarHBondContact CG2-O 3.27Å; K251-D300 WeakPolarHBondContact CD-OD1 3.34Å; K251-D300 WeakPolarHBondContact CD-OD2 3.18Å; K251-D300 WeakPolarHBondContact CE-OD2 3.33Å; K251-D300 IonicContact NZ-OD2 3.58Å; K251-D300 PolarHBondContact NZ-OD2 3.2Å; K298-D300 HydrophobicContact CG-CB 4.24Å; K298-D300 PolarHBondContact O-N 3.32Å; K298-D300 VanDerWaalsContact O-N 3.13Å
301	N	90.6	Very high	80.5	Confident	8 Å²	8	45.3 Å²	45.3	4%	0.043	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-0.2	-178.9	-69.2	-0.4	0	0	0	112.5	D296 K298 F303 G318 D319	D296-N301 PolarHBondContact O-ND2 2.99Å; D296-N301 PolarHBondContact OD2-ND2 2.97Å; K298-N301 WeakPolarHBondContact CE-ND2 3.34Å; K298-N301 WeakPolarHBondContact CE-OD1 3.17Å; K298-N301 HydrophobicContact CG-CB 4.19Å; K298-N301 PolarHBondContact O-N 3.01Å; N301-F303 WeakPolarHBondContact O-CD2 3.42Å; N301-F303 WeakPolarHBondContact O-CE2 3.27Å; N301-G318 PolarHBondContact O-N 3.17Å; N301-D319 HydrophobicContact CB-CB 4.22Å
302	C	93.6	Very high	79.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.3	168.2	-67.3	0	0	0	0	109.5	T249 L250 I277 K298 V315 K316	T249-C302 CarbonylContact C-O 3.57Å; T249-C302 WeakPolarHBondContact CA-O 3.18Å; L250-C302 HydrophobicContact CB-CB 3.96Å; L250-C302 HydrophobicContact CD2-CB 4.11Å; L250-C302 PolarHBondContact N-O 2.8Å; I277-C302 HydrophobicContact CD1-CB 4.36Å; K298-C302 PolarHBondContact O-N 2.84Å; C302-V315 HydrophobicContact CB-CG2 3.77Å; C302-K316 CarbonylContact C-O 3.51Å; C302-K316 WeakPolarHBondContact CA-O 3.34Å
303	F	93.8	Very high	79	Confident	44 Å²	44	51 Å²	51	19%	0.193	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.3	-172.3	-64.5	-89.1	0	0	0	111.1	V214 M245 G248 T249 N301 V315 K316	V214-F303 HydrophobicContact CG2-CB 4.49Å; V214-F303 HydrophobicContact CG2-CD2 3.91Å; V214-F303 HydrophobicContact CG2-CG 4.45Å; M245-F303 HydrophobicContact CB-CB 3.74Å; M245-F303 HydrophobicContact CB-CD1 3.77Å; M245-F303 HydrophobicContact CB-CG 3.95Å; M245-F303 HydrophobicContact CE-CB 3.69Å; M245-F303 HydrophobicContact CG-CB 3.63Å; M245-F303 HydrophobicContact CG-CD1 4.14Å; M245-F303 HydrophobicContact CG-CG 3.85Å; M245-F303 HydrophobicContact SD-CB 4.46Å; G248-F303 WeakPolarHBondContact O-CA 3.3Å; T249-F303 HydrophobicContact CG2-CD1 4.17Å; T249-F303 HydrophobicContact CG2-CE1 3.9Å; N301-F303 WeakPolarHBondContact O-CD2 3.42Å; N301-F303 WeakPolarHBondContact O-CE2 3.27Å; F303-V315 CarbonylContact O-C 3.52Å; F303-V315 WeakPolarHBondContact O-CA 3.48Å; F303-V315 WeakPolarHBondContact O-CG2 3.46Å; F303-K316 PolarHBondContact N-O 3.29Å; F303-K316 PolarHBondContact O-N 3.24Å
304	L	91.4	Very high	79.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	151.1	-177.2	-69.4	164.6	0	0	0	111.7	E247 G248 L250 V253 W273 L313 N314 V315	E247-L304 HydrophobicContact CB-CB 4.43Å; G248-L304 PolarHBondContact O-N 2.76Å; L250-L304 HydrophobicContact CD1-CD1 4.29Å; V253-L304 HydrophobicContact CB-CD1 3.56Å; V253-L304 HydrophobicContact CG1-CD1 3.95Å; V253-L304 HydrophobicContact CG2-CD1 3.47Å; V253-L304 VanDerWaalsContact CG2-CD1 3.47Å; W273-L304 HydrophobicContact CD2-CD2 4.12Å; W273-L304 HydrophobicContact CG-CD2 4.39Å; W273-L304 HydrophobicContact CH2-CD1 4.49Å; W273-L304 HydrophobicContact CZ2-CD1 4.43Å; W273-L304 HydrophobicContact CZ2-CD2 3.94Å; L304-L313 HydrophobicContact CB-CD1 4.31Å; L304-L313 HydrophobicContact CB-CD2 4Å; L304-L313 HydrophobicContact CB-CG 4.02Å; L304-L313 HydrophobicContact CD1-CD2 3.89Å; L304-L313 HydrophobicContact CD2-CD2 4.19Å; L304-L313 HydrophobicContact CD2-CG 4.2Å; L304-L313 HydrophobicContact CG-CD2 4.24Å; L304-N314 CarbonylContact C-O 3.59Å; L304-N314 WeakPolarHBondContact CA-O 3.41Å; L304-N314 WeakPolarHBondContact CD2-O 3.36Å; L304-V315 HydrophobicContact CD2-CB 3.92Å; L304-V315 HydrophobicContact CD2-CG2 4.19Å
305	Y	87.9	Confident	79.6	Confident	63 Å²	63	52.3 Å²	52.3	25%	0.247	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	141.7	176.8	72.6	-71	0	0	0	111.6	P211 H212 M245 N314 K316	P211-Y305 PolarHBondContact O-OH 2.92Å; H212-Y305 PolarHBondContact CE1-OH 2.72Å; M245-Y305 HydrophobicContact CE-CD1 4.07Å; M245-Y305 HydrophobicContact CE-CG 4.24Å; Y305-N314 HydrophobicContact CD1-CB 4.03Å; Y305-N314 VanDerWaalsContact CD1-O 3.28Å; Y305-N314 WeakPolarHBondContact CD1-O 3.27Å; Y305-N314 HydrophobicContact CE1-CB 3.44Å; Y305-N314 VanDerWaalsContact CE1-CB 3.44Å; Y305-N314 HydrophobicContact CE2-CB 4.22Å; Y305-N314 PolarHBondContact N-O 3.08Å; Y305-N314 PolarHBondContact O-N 3.19Å; Y305-K316 HydrophobicContact CD1-CD 4.31Å; Y305-K316 HydrophobicContact CD1-CG 3.58Å; Y305-K316 HydrophobicContact CE1-CD 4.12Å; Y305-K316 HydrophobicContact CE1-CG 3.33Å
306	G	79.3	Confident	80.2	Confident	36 Å²	36	51.9 Å²	51.9	37%	0.371	28%	0.28	S	S	.	.			trans	-163.4	176	-179.5	0	0	0	0	0	110.8
307	A	65.8	Low	80.7	Confident	108 Å²	108	51.2 Å²	51.2	89%	0.893	28%	0.277	S	S	*	.	S	Bend	trans	-111.5	-11.1	178.2	0	0	0	0	0	113.6
308	S	57	Low	80.6	Confident	57 Å²	57	51.2 Å²	51.2	40%	0.399	28%	0.277	S	S	.	.	S	Bend	trans	-156.8	163.9	178.5	63.8	0	0	0	0	110.8	E310 E311	S308-E310 VanDerWaalsContact C-N 3.27Å; S308-E310 PolarHBondContact O-N 2.71Å; S308-E311 WeakPolarHBondContact OG-CB 3.43Å; S308-E311 PolarHBondContact OG-N 2.64Å
309	D	59.9	Low	80	Confident	178 Å²	178	51.4 Å²	51.4	95%	0.952	28%	0.279	S	S	*	.	S	Bend	trans	-71.9	-21.6	177.3	-56.6	-56.3	0	0	0	112.9
310	E	55	Low	79	Confident	190 Å²	190	51.7 Å²	51.7	89%	0.888	28%	0.28	S	S	*	.	S	Bend	trans	-103	-28.8	-173.9	-60.6	-172.1	160.8	0	0	113.6	S308	S308-E310 VanDerWaalsContact C-N 3.27Å; S308-E310 PolarHBondContact O-N 2.71Å
311	E	53.2	Low	77.5	Confident	119 Å²	119	50.8 Å²	50.8	56%	0.556	28%	0.283	S	S	*	.	S	Bend	trans	-115.3	104.3	-178.2	-73.5	-163.2	131.5	0	0	112.8	S308	S308-E311 WeakPolarHBondContact OG-CB 3.43Å; S308-E311 PolarHBondContact OG-N 2.64Å
312	Y	60.4	Low	75.9	Confident	94 Å²	94	51.7 Å²	51.7	37%	0.369	29%	0.288	S	S	.	.			trans	62.9	65.7	156.2	-46.1	-56	0	0	0	116.4	N314 E435	Y312-N314 PolarHBondContact O-N 3.36Å; Y312-N314 VanDerWaalsContact O-N 3.15Å; Y312-N314 PolarHBondContact O-ND2 2.84Å; Y312-E435 WeakPolarHBondContact CE1-OE1 3.48Å; Y312-E435 WeakPolarHBondContact CE1-OE2 3.49Å
313	L	77.8	Confident	74	Confident	50 Å²	50	51.9 Å²	51.9	26%	0.262	29%	0.29	S	S	.	.			trans	-63.6	112.2	155.1	-158.6	72.1	0	0	0	108.9	E247 W273 L304	E247-L313 HydrophobicContact CB-CD1 4.45Å; E247-L313 HydrophobicContact CG-CD1 4.36Å; W273-L313 HydrophobicContact CZ2-CD2 4.1Å; W273-L313 PolarHBondContact NE1-O 3.03Å; L304-L313 HydrophobicContact CB-CD1 4.31Å; L304-L313 HydrophobicContact CB-CD2 4Å; L304-L313 HydrophobicContact CB-CG 4.02Å; L304-L313 HydrophobicContact CD1-CD2 3.89Å; L304-L313 HydrophobicContact CD2-CD2 4.19Å; L304-L313 HydrophobicContact CD2-CG 4.2Å; L304-L313 HydrophobicContact CG-CD2 4.24Å
314	N	89.5	Confident	72.2	Confident	26 Å²	26	49.8 Å²	49.8	14%	0.139	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	167.4	178.7	-59.9	-71.8	0	0	0	110.1	R272 Q276 L304 Y305 Y312	R272-N314 PolarHBondContact NH2-OD1 3.07Å; Q276-N314 PolarHBondContact NE2-OD1 2.97Å; L304-N314 CarbonylContact C-O 3.59Å; L304-N314 WeakPolarHBondContact CA-O 3.41Å; L304-N314 WeakPolarHBondContact CD2-O 3.36Å; Y305-N314 HydrophobicContact CD1-CB 4.03Å; Y305-N314 VanDerWaalsContact CD1-O 3.28Å; Y305-N314 WeakPolarHBondContact CD1-O 3.27Å; Y305-N314 HydrophobicContact CE1-CB 3.44Å; Y305-N314 VanDerWaalsContact CE1-CB 3.44Å; Y305-N314 HydrophobicContact CE2-CB 4.22Å; Y305-N314 PolarHBondContact N-O 3.08Å; Y305-N314 PolarHBondContact O-N 3.19Å; Y312-N314 PolarHBondContact O-N 3.36Å; Y312-N314 VanDerWaalsContact O-N 3.15Å; Y312-N314 PolarHBondContact O-ND2 2.84Å
315	V	92.7	Very high	70.3	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.3	-179.6	69.9	0	0	0	0	112.7	H212 W273 Q276 I277 C302 F303 L304	H212-V315 PolarHBondContact ND1-O 3.44Å; W273-V315 HydrophobicContact CB-CB 4.39Å; W273-V315 HydrophobicContact CB-CG1 3.93Å; W273-V315 HydrophobicContact CG-CB 4.39Å; W273-V315 HydrophobicContact CG-CG1 4.36Å; W273-V315 WeakPolarHBondContact O-CG1 3.41Å; Q276-V315 HydrophobicContact CB-CG1 3.67Å; I277-V315 HydrophobicContact CD1-CG1 4.35Å; I277-V315 HydrophobicContact CG1-CG1 3.89Å; I277-V315 HydrophobicContact CG1-CG2 4.47Å; C302-V315 HydrophobicContact CB-CG2 3.77Å; F303-V315 CarbonylContact O-C 3.52Å; F303-V315 WeakPolarHBondContact O-CA 3.48Å; F303-V315 WeakPolarHBondContact O-CG2 3.46Å; L304-V315 HydrophobicContact CD2-CB 3.92Å; L304-V315 HydrophobicContact CD2-CG2 4.19Å
316	K	94	Very high	68.5	Low	17 Å²	17	50.6 Å²	50.6	7%	0.074	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.1	166.3	-51.2	-159.9	-172.7	-168.1	0	110.9	P211 H212 V214 E243 M245 C302 F303 Y305	P211-K316 VanDerWaalsContact O-CD 3.32Å; P211-K316 WeakPolarHBondContact O-CD 3.5Å; P211-K316 VanDerWaalsContact O-CE 3.22Å; P211-K316 WeakPolarHBondContact O-CE 3.31Å; H212-K316 CarbonylContact O-C 3.5Å; H212-K316 WeakPolarHBondContact O-CA 3.29Å; V214-K316 HydrophobicContact CG2-CB 3.84Å; E243-K316 IonicContact OE1-NZ 3.37Å; E243-K316 PolarHBondContact OE1-NZ 3.04Å; E243-K316 IonicContact OE2-NZ 2.77Å; E243-K316 PolarHBondContact OE2-NZ 3.5Å; M245-K316 HydrophobicContact CE-CB 4.13Å; M245-K316 HydrophobicContact CE-CD 3.99Å; M245-K316 HydrophobicContact CE-CG 3.86Å; M245-K316 HydrophobicContact SD-CD 4.22Å; C302-K316 CarbonylContact C-O 3.51Å; C302-K316 WeakPolarHBondContact CA-O 3.34Å; F303-K316 PolarHBondContact N-O 3.29Å; F303-K316 PolarHBondContact O-N 3.24Å; Y305-K316 HydrophobicContact CD1-CD 4.31Å; Y305-K316 HydrophobicContact CD1-CG 3.58Å; Y305-K316 HydrophobicContact CE1-CD 4.12Å; Y305-K316 HydrophobicContact CE1-CG 3.33Å
317	V	93.7	Very high	67	Low	1 Å²	1	53 Å²	53	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	133.7	168.8	-177.8	0	0	0	0	109.1	H212 I213 V214 I277 A280 H294 L297 F320	H212-V317 PolarHBondContact O-N 2.87Å; I213-V317 WeakPolarHBondContact CA-O 3.29Å; V214-V317 PolarHBondContact N-O 3.37Å; I277-V317 HydrophobicContact CB-CG2 4.32Å; I277-V317 HydrophobicContact CG1-CG2 4.12Å; I277-V317 HydrophobicContact CG2-CG2 4.04Å; A280-V317 HydrophobicContact CB-CB 4.3Å; A280-V317 HydrophobicContact CB-CG2 3.83Å; H294-V317 WeakPolarHBondContact CD2-CG1 3.09Å; H294-V317 WeakPolarHBondContact NE2-CG1 3.42Å; L297-V317 HydrophobicContact CD1-CG1 3.87Å; L297-V317 HydrophobicContact CD1-CG2 4.36Å; V317-F320 HydrophobicContact CB-CZ 4.44Å; V317-F320 HydrophobicContact CG1-CE1 4.26Å; V317-F320 HydrophobicContact CG1-CZ 4.07Å; V317-F320 WeakPolarHBondContact O-CE2 3.45Å; V317-F320 WeakPolarHBondContact O-CZ 3.41Å
318	G	87.4	Confident	66.1	Low	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.275	C	S	.	.			trans	-144.7	-175.7	-179.2	0	0	0	0	0	112.3	H294 N301	H294-G318 PolarHBondContact CE1-O 2.91Å; H294-G318 PolarHBondContact NE2-O 3.45Å; N301-G318 PolarHBondContact O-N 3.17Å
319	D	78.1	Confident	65.5	Low	34 Å²	34	48.4 Å²	48.4	18%	0.182	26%	0.257	C	S	.	.			trans	62.1	52.5	-174.2	-149.9	-1.7	0	0	0	116.2	K167 N301 G321	K167-D319 VanDerWaalsContact CE-OD2 3.32Å; K167-D319 WeakPolarHBondContact CE-OD2 3.4Å; K167-D319 IonicContact NZ-OD1 2.67Å; K167-D319 PolarHBondContact NZ-OD1 3.33Å; K167-D319 IonicContact NZ-OD2 2.87Å; K167-D319 PolarHBondContact NZ-OD2 2.94Å; N301-D319 HydrophobicContact CB-CB 4.22Å; D319-G321 PolarHBondContact O-N 3.07Å
320	F	68.3	Low	64.4	Low	7 Å²	7	42.6 Å²	42.6	3%	0.031	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-67.6	21.8	169.3	-54.4	-76.6	0	0	0	114.3	M205 M208 I213 M284 H294 V317 L322 A323	M205-F320 HydrophobicContact CE-CB 3.85Å; M205-F320 HydrophobicContact CE-CD2 3.91Å; M205-F320 HydrophobicContact CE-CG 4.34Å; M205-F320 HydrophobicContact CG-CB 3.93Å; M205-F320 HydrophobicContact SD-CB 3.77Å; M208-F320 HydrophobicContact CE-CB 4.41Å; M208-F320 HydrophobicContact CE-CD1 3.7Å; M208-F320 HydrophobicContact CE-CD2 3.95Å; M208-F320 HydrophobicContact CE-CE1 3.91Å; M208-F320 HydrophobicContact CE-CE2 4.16Å; M208-F320 HydrophobicContact CE-CG 3.72Å; M208-F320 HydrophobicContact CE-CZ 4.15Å; I213-F320 HydrophobicContact CG1-CZ 4.39Å; I213-F320 HydrophobicContact CG2-CE2 3.64Å; I213-F320 HydrophobicContact CG2-CZ 3.64Å; M284-F320 HydrophobicContact CE-CE1 4.24Å; M284-F320 HydrophobicContact SD-CD1 4.28Å; M284-F320 HydrophobicContact SD-CE1 3.49Å; M284-F320 WeakPolarHBondContact SD-CE1 3.44Å; M284-F320 HydrophobicContact SD-CZ 4.27Å; H294-F320 AromaticContact CD2-CD1 3.72Å; H294-F320 AromaticContact CD2-CE1 3.39Å; H294-F320 WeakPolarHBondContact CD2-CE1 3.45Å; H294-F320 AromaticContact NE2-CD1 3.94Å; H294-F320 AromaticContact NE2-CE1 3.74Å; V317-F320 HydrophobicContact CB-CZ 4.44Å; V317-F320 HydrophobicContact CG1-CE1 4.26Å; V317-F320 HydrophobicContact CG1-CZ 4.07Å; V317-F320 WeakPolarHBondContact O-CE2 3.45Å; V317-F320 WeakPolarHBondContact O-CZ 3.41Å; F320-L322 PolarHBondContact O-N 3Å; F320-L322 VanDerWaalsContact O-N 3.09Å; F320-A323 HydrophobicContact CB-CB 3.74Å; F320-A323 HydrophobicContact CD1-CB 4.22Å; F320-A323 HydrophobicContact CG-CB 4.48Å; F320-A323 WeakPolarHBondContact O-CB 3.41Å; F320-A323 PolarHBondContact O-N 2.92Å
321	G	58.5	Low	63.4	Low	33 Å²	33	38.6 Å²	38.6	34%	0.34	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-63.2	-13.5	178.6	0	0	0	0	0	114.2	D319	D319-G321 PolarHBondContact O-N 3.07Å
322	L	56.4	Low	62.8	Low	27 Å²	27	41.2 Å²	41.2	14%	0.141	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-116.1	13.4	170	-66.1	-178.9	0	0	0	113.2	R295 D296 F320 L335	R295-L322 HydrophobicContact CB-CB 4.43Å; R295-L322 PolarHBondContact NE-O 3Å; R295-L322 PolarHBondContact NH2-O 3.49Å; D296-L322 HydrophobicContact CB-CD1 4.14Å; F320-L322 PolarHBondContact O-N 3Å; F320-L322 VanDerWaalsContact O-N 3.09Å; L322-L335 HydrophobicContact CD1-CB 3.88Å; L322-L335 HydrophobicContact CD2-CB 3.77Å; L322-L335 HydrophobicContact CD2-CD1 3.75Å; L322-L335 HydrophobicContact CD2-CG 4.25Å; L322-L335 HydrophobicContact CG-CB 4.47Å
323	A	55.1	Low	61.6	Low	4 Å²	4	40 Å²	40	3%	0.033	23%	0.228	C	C	.	.			trans	-69.6	149.2	-178.5	0	0	0	0	0	112.9	I292 L293 F320	I292-A323 HydrophobicContact CG2-CB 4.27Å; L293-A323 WeakPolarHBondContact O-CA 3.32Å; L293-A323 WeakPolarHBondContact O-CB 3.44Å; F320-A323 HydrophobicContact CB-CB 3.74Å; F320-A323 HydrophobicContact CD1-CB 4.22Å; F320-A323 HydrophobicContact CG-CB 4.48Å; F320-A323 WeakPolarHBondContact O-CB 3.41Å; F320-A323 PolarHBondContact O-N 2.92Å
324	T	55.9	Low	59.9	Low	1 Å²	1	43.7 Å²	43.7	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	162.9	174.4	-159.5	0	0	0	0	112.1	L293	L293-T324 PolarHBondContact N-O 3.5Å; L293-T324 PolarHBondContact O-N 3.38Å
325	H	49.7	Very low	57.8	Low	32 Å²	32	45 Å²	45	15%	0.148	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	144.1	169.8	-65.5	160.6	0	0	0	110.8	P290 P291 S327 N328 S329	P290-H325 HydrophobicContact CB-CB 4.42Å; P290-H325 HydrophobicContact CG-CB 3.86Å; P291-H325 WeakPolarHBondContact O-CA 3.26Å; H325-S327 PolarHBondContact O-N 3.33Å; H325-S327 VanDerWaalsContact O-N 3.14Å; H325-N328 WeakPolarHBondContact O-CA 3.05Å; H325-N328 WeakPolarHBondContact O-CB 3.27Å; H325-N328 PolarHBondContact O-N 3.05Å; H325-S329 PolarHBondContact O-N 3.49Å
326	V	50.7	Low	56	Low	47 Å²	47	46.1 Å²	46.1	29%	0.285	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-54	-34.6	174.2	176.5	0	0	0	0	112.5	P291 L293 N328 S329	P291-V326 HydrophobicContact CB-CG2 3.9Å; P291-V326 PolarHBondContact O-N 3.43Å; L293-V326 HydrophobicContact CD1-CG2 3.96Å; L293-V326 HydrophobicContact CD2-CG2 3.7Å; L293-V326 HydrophobicContact CG-CG2 3.76Å; V326-N328 PolarHBondContact O-N 3.3Å; V326-S329 PolarHBondContact O-N 3.04Å; V326-S329 VanDerWaalsContact O-N 3.14Å; V326-S329 PolarHBondContact O-OG 2.79Å
327	S	47.4	Very low	54.4	Low	87 Å²	87	47.4 Å²	47.4	61%	0.608	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-58.6	-20.1	175	62.8	0	0	0	0	114.2	H325	H325-S327 PolarHBondContact O-N 3.33Å; H325-S327 VanDerWaalsContact O-N 3.14Å
328	N	47.5	Very low	52.9	Low	64 Å²	64	51.6 Å²	51.6	34%	0.342	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-109	0.8	-175.9	-59.4	2.2	0	0	0	112.5	H325 V326 G330	H325-N328 WeakPolarHBondContact O-CA 3.05Å; H325-N328 WeakPolarHBondContact O-CB 3.27Å; H325-N328 PolarHBondContact O-N 3.05Å; V326-N328 PolarHBondContact O-N 3.3Å; N328-G330 PolarHBondContact O-N 2.71Å; N328-G330 VanDerWaalsContact O-N 3.1Å
329	S	44	Very low	51.7	Low	4 Å²	4	52 Å²	52	3%	0.028	30%	0.299	C	S	.	.			trans	-58	-25.1	-176.3	-72.1	0	0	0	0	114.2	L293 H325 V326 R331 E348 Y350	L293-S329 WeakPolarHBondContact CD1-OG 3.14Å; H325-S329 PolarHBondContact O-N 3.49Å; V326-S329 PolarHBondContact O-N 3.04Å; V326-S329 VanDerWaalsContact O-N 3.14Å; V326-S329 PolarHBondContact O-OG 2.79Å; S329-R331 PolarHBondContact O-N 3.07Å; S329-E348 CarbonylContact C-O 3.56Å; S329-Y350 WeakPolarHBondContact CB-O 3.47Å; S329-Y350 WeakPolarHBondContact OG-CE2 3.21Å; S329-Y350 PolarHBondContact OG-O 3.46Å
330	G	36.5	Very low	51.6	Low	57 Å²	57	50.9 Å²	50.9	59%	0.588	29%	0.293	S	S	*	.			trans	-68.9	37.1	176	0	0	0	0	0	115.4	N328	N328-G330 PolarHBondContact O-N 2.71Å; N328-G330 VanDerWaalsContact O-N 3.1Å
331	R	35.6	Very low	51.8	Low	106 Å²	106	51.7 Å²	51.7	40%	0.4	30%	0.297	S	S	.	.			trans	-105	131	173.6	-84.7	-174	165.3	169	-1.8	110.6	E201 S329 T333	E201-R331 IonicContact OE1-CZ 3.24Å; E201-R331 IonicContact OE1-NH1 3.69Å; E201-R331 PolarHBondContact OE1-NH1 3.25Å; S329-R331 PolarHBondContact O-N 3.07Å; R331-T333 PolarHBondContact O-N 2.8Å
332	K	39.2	Very low	52.3	Low	173 Å²	173	50.1 Å²	50.1	75%	0.752	28%	0.281	S	S	*	.			trans	-73.3	52.1	-173.5	-48.6	-162.7	171.1	-171.7	0	114.3	E348	K332-E348 WeakPolarHBondContact CG-OE1 3.27Å
333	T	36.7	Very low	52.9	Low	68 Å²	68	49.2 Å²	49.2	42%	0.417	28%	0.277	S	S	.	.			trans	-129.1	97.3	-176	57.7	0	0	0	0	110.8	R331 L335	R331-T333 PolarHBondContact O-N 2.8Å; T333-L335 HydrophobicContact CG2-CD1 4.49Å; T333-L335 PolarHBondContact O-N 2.81Å
334	M	40.5	Very low	53.8	Low	128 Å²	128	50 Å²	50	63%	0.631	28%	0.28	S	S	*	.			trans	-67.6	94.5	171.3	-172.6	-171.4	-59.8	0	0	109.3	M341 F346	M334-M341 HydrophobicContact CG-CE 4.27Å; M334-F346 HydrophobicContact CE-CD1 4.08Å; M334-F346 HydrophobicContact CE-CE1 4.03Å; M334-F346 HydrophobicContact SD-CE1 4.23Å
335	L	46.7	Very low	54.1	Low	53 Å²	53	51.2 Å²	51.2	28%	0.277	29%	0.286	S	S	.	.			trans	-137.7	132.2	-173.8	-67.6	172.1	0	0	0	110.6	L322 T333	L322-L335 HydrophobicContact CD1-CB 3.88Å; L322-L335 HydrophobicContact CD2-CB 3.77Å; L322-L335 HydrophobicContact CD2-CD1 3.75Å; L322-L335 HydrophobicContact CD2-CG 4.25Å; L322-L335 HydrophobicContact CG-CB 4.47Å; T333-L335 HydrophobicContact CG2-CD1 4.49Å; T333-L335 PolarHBondContact O-N 2.81Å
336	G	54.5	Low	54.6	Low	25 Å²	25	53.5 Å²	53.5	26%	0.258	30%	0.296	S	S	.	.	S	Bend	trans	150.4	178.4	-177.3	0	0	0	0	0	111.1
337	T	61.3	Low	55.1	Low	45 Å²	45	55.5 Å²	55.5	28%	0.276	31%	0.305	S	S	.	.			trans	-90.7	123.1	175	-55.4	0	0	0	0	110.9	D296 K298 G339 F340 M341	D296-T337 WeakPolarHBondContact OD1-CB 3.22Å; D296-T337 PolarHBondContact OD1-N 2.71Å; D296-T337 VanDerWaalsContact OD1-N 3.12Å; D296-T337 PolarHBondContact OD1-OG1 2.86Å; K298-T337 HydrophobicContact CD-CG2 4.33Å; K298-T337 WeakPolarHBondContact CD-OG1 3.49Å; K298-T337 PolarHBondContact NZ-OG1 3.08Å; T337-G339 PolarHBondContact O-N 2.92Å; T337-F340 HydrophobicContact CG2-CD2 3.68Å; T337-F340 HydrophobicContact CG2-CE2 3.99Å; T337-F340 WeakPolarHBondContact O-CA 3.27Å; T337-F340 WeakPolarHBondContact O-CB 3.42Å; T337-F340 PolarHBondContact O-N 2.73Å; T337-M341 PolarHBondContact O-N 2.82Å
338	L	61	Low	55.6	Low	88 Å²	88	55.5 Å²	55.5	46%	0.461	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-47.2	-54	-166.4	-64.2	163.9	0	0	0	115.3	F340 M341 V379	L338-F340 PolarHBondContact O-N 3.28Å; L338-F340 VanDerWaalsContact O-N 3.1Å; L338-M341 HydrophobicContact CD2-SD 4.43Å; L338-M341 WeakPolarHBondContact O-CB 3.37Å; L338-M341 PolarHBondContact O-N 2.84Å; L338-M341 VanDerWaalsContact O-N 3.15Å; L338-V379 HydrophobicContact CD1-CG2 3.69Å; L338-V379 HydrophobicContact CD2-CB 4.42Å; L338-V379 HydrophobicContact CD2-CG1 3.88Å; L338-V379 HydrophobicContact CD2-CG2 3.68Å; L338-V379 HydrophobicContact CG-CG2 4.26Å
339	G	62.6	Low	56.2	Low	8 Å²	8	61.3 Å²	61.3	8%	0.082	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-66.5	-9.7	-179.5	0	0	0	0	0	115.3	T337	T337-G339 PolarHBondContact O-N 2.92Å
340	F	75.8	Confident	57.5	Low	11 Å²	11	61.9 Å²	61.9	5%	0.048	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-108.5	-3.6	179.7	-56.3	-101.7	0	0	0	112.1	L297 K298 T337 L338 Y357 A358 M361 E365 P372	L297-F340 WeakPolarHBondContact O-CD1 3.46Å; K298-F340 HydrophobicContact CB-CD1 3.91Å; K298-F340 HydrophobicContact CB-CD2 4.37Å; K298-F340 HydrophobicContact CB-CE1 3.68Å; K298-F340 HydrophobicContact CB-CE2 4.17Å; K298-F340 HydrophobicContact CB-CG 4.27Å; K298-F340 HydrophobicContact CB-CZ 3.83Å; T337-F340 HydrophobicContact CG2-CD2 3.68Å; T337-F340 HydrophobicContact CG2-CE2 3.99Å; T337-F340 WeakPolarHBondContact O-CA 3.27Å; T337-F340 WeakPolarHBondContact O-CB 3.42Å; T337-F340 PolarHBondContact O-N 2.73Å; L338-F340 PolarHBondContact O-N 3.28Å; L338-F340 VanDerWaalsContact O-N 3.1Å; F340-Y357 WeakPolarHBondContact O-CD1 3.49Å; F340-A358 HydrophobicContact CB-CB 4.33Å; F340-M361 HydrophobicContact CD1-CB 3.63Å; F340-M361 HydrophobicContact CE1-CB 4.08Å; F340-M361 HydrophobicContact CG-CB 4.3Å; F340-E365 HydrophobicContact CE1-CB 4.49Å; F340-E365 HydrophobicContact CZ-CB 4.44Å; F340-E365 WeakPolarHBondContact CZ-OE2 3.43Å; F340-P372 HydrophobicContact CE1-CG 4.13Å; F340-P372 HydrophobicContact CE2-CG 4.44Å; F340-P372 HydrophobicContact CZ-CG 3.97Å
341	M	72	Confident	59.7	Low	24 Å²	24	61.5 Å²	61.5	12%	0.118	30%	0.304	C	S	.	.			trans	-72	127.4	178.7	-74.6	-172.2	168	0	0	111.7	M334 T337 L338 I345 Y357	M334-M341 HydrophobicContact CG-CE 4.27Å; T337-M341 PolarHBondContact O-N 2.82Å; L338-M341 HydrophobicContact CD2-SD 4.43Å; L338-M341 WeakPolarHBondContact O-CB 3.37Å; L338-M341 PolarHBondContact O-N 2.84Å; L338-M341 VanDerWaalsContact O-N 3.15Å; M341-I345 HydrophobicContact CB-CD1 4.08Å; M341-I345 HydrophobicContact CG-CD1 4.2Å; M341-Y357 VanDerWaalsContact C-CE1 3.48Å; M341-Y357 WeakPolarHBondContact O-CE1 3.44Å
342	A	70.2	Confident	62.1	Low	1 Å²	1	58.4 Å²	58.4	1%	0.008	29%	0.294	C	S	.	.			trans	-75.3	146.1	170.5	0	0	0	0	0	111.4	E344 I345 V354 Y357	A342-E344 VanDerWaalsContact C-N 3.3Å; A342-E344 WeakPolarHBondContact CB-OE1 3.4Å; A342-E344 WeakPolarHBondContact CB-OE2 3.29Å; A342-E344 PolarHBondContact O-N 3.45Å; A342-I345 HydrophobicContact CB-CD1 4.35Å; A342-I345 HydrophobicContact CB-CG1 4.42Å; A342-I345 WeakPolarHBondContact O-CB 3.4Å; A342-I345 WeakPolarHBondContact O-CG1 3.43Å; A342-I345 PolarHBondContact O-N 3.18Å; A342-I345 VanDerWaalsContact O-N 3.13Å; A342-V354 HydrophobicContact CB-CB 4.38Å; A342-V354 HydrophobicContact CB-CG1 4.27Å; A342-Y357 HydrophobicContact CB-CD1 3.84Å; A342-Y357 HydrophobicContact CB-CD2 4.29Å; A342-Y357 HydrophobicContact CB-CE1 4.49Å; A342-Y357 HydrophobicContact CB-CG 3.73Å
343	P	69.3	Low	64.6	Low	8 Å²	8	50.9 Å²	50.9	5%	0.052	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-64.6	-26.8	-172.6	24.9	-34.8	0	0	0	114.7	I345 F346 T386 P413 W622	P343-I345 PolarHBondContact O-N 3.32Å; P343-F346 WeakPolarHBondContact O-CD2 3.31Å; P343-F346 PolarHBondContact O-N 3.05Å; P343-T386 HydrophobicContact CB-CG2 3.94Å; P343-T386 HydrophobicContact CG-CG2 3.91Å; P343-P413 WeakPolarHBondContact CG-O 3.26Å; P343-W622 HydrophobicContact CB-CH2 3.81Å; P343-W622 HydrophobicContact CB-CZ3 4.24Å; P343-W622 HydrophobicContact CG-CH2 3.88Å; P343-W622 HydrophobicContact CG-CZ3 4.39Å
344	E	73.3	Confident	67.1	Low	19 Å²	19	47.8 Å²	47.8	9%	0.089	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-73.9	-8.2	177.2	72.2	-77.3	179.4	0	0	114.1	A342 F346 D347 V354 T415 R418	A342-E344 VanDerWaalsContact C-N 3.3Å; A342-E344 WeakPolarHBondContact CB-OE1 3.4Å; A342-E344 WeakPolarHBondContact CB-OE2 3.29Å; A342-E344 PolarHBondContact O-N 3.45Å; E344-F346 PolarHBondContact O-N 3.24Å; E344-F346 VanDerWaalsContact O-N 3.16Å; E344-D347 PolarHBondContact O-N 2.91Å; E344-V354 HydrophobicContact CG-CG1 4.45Å; E344-V354 WeakPolarHBondContact OE1-CG1 3.43Å; E344-T415 HydrophobicContact CB-CG2 4.27Å; E344-T415 HydrophobicContact CG-CG2 3.58Å; E344-T415 WeakPolarHBondContact OE1-CG2 3.43Å; E344-R418 IonicContact OE1-CZ 3.23Å; E344-R418 IonicContact OE1-NH1 2.77Å; E344-R418 PolarHBondContact OE1-NH1 3.47Å; E344-R418 IonicContact OE1-NH2 2.74Å; E344-R418 IonicContact OE2-CZ 3.57Å; E344-R418 IonicContact OE2-NH1 3.79Å; E344-R418 PolarHBondContact OE2-NH1 3.03Å; E344-R418 IonicContact OE2-NH2 2.91Å; E344-R418 PolarHBondContact OE2-NH2 2.76Å
345	I	62.4	Low	69.6	Low	28 Å²	28	41.7 Å²	41.7	14%	0.144	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-59.8	-25	171.3	-64.9	175.4	0	0	0	110.4	M341 A342 P343 D347 V354	M341-I345 HydrophobicContact CB-CD1 4.08Å; M341-I345 HydrophobicContact CG-CD1 4.2Å; A342-I345 HydrophobicContact CB-CD1 4.35Å; A342-I345 HydrophobicContact CB-CG1 4.42Å; A342-I345 WeakPolarHBondContact O-CB 3.4Å; A342-I345 WeakPolarHBondContact O-CG1 3.43Å; A342-I345 PolarHBondContact O-N 3.18Å; A342-I345 VanDerWaalsContact O-N 3.13Å; P343-I345 PolarHBondContact O-N 3.32Å; I345-D347 VanDerWaalsContact C-N 3.31Å; I345-D347 PolarHBondContact O-N 2.92Å; I345-V354 HydrophobicContact CD1-CB 4.48Å; I345-V354 HydrophobicContact CD1-CG1 4.31Å; I345-V354 HydrophobicContact CG1-CG1 3.9Å
346	F	60.4	Low	71.9	Confident	80 Å²	80	39.2 Å²	39.2	35%	0.351	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-75.8	-7.7	173.3	-55.3	-54.2	0	0	0	115.1	M334 P343 E344 A383	M334-F346 HydrophobicContact CE-CD1 4.08Å; M334-F346 HydrophobicContact CE-CE1 4.03Å; M334-F346 HydrophobicContact SD-CE1 4.23Å; P343-F346 WeakPolarHBondContact O-CD2 3.31Å; P343-F346 PolarHBondContact O-N 3.05Å; E344-F346 PolarHBondContact O-N 3.24Å; E344-F346 VanDerWaalsContact O-N 3.16Å; F346-A383 HydrophobicContact CE2-CB 4.1Å; F346-A383 HydrophobicContact CZ-CB 4.22Å
347	D	60.6	Low	73.7	Confident	88 Å²	88	38.1 Å²	38.1	47%	0.471	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-101.6	9.5	-179.3	-84.5	-39	0	0	0	113.7	E344 I345 K349 K619	E344-D347 PolarHBondContact O-N 2.91Å; I345-D347 VanDerWaalsContact C-N 3.31Å; I345-D347 PolarHBondContact O-N 2.92Å; D347-K349 PolarHBondContact O-N 3.44Å; D347-K619 WeakPolarHBondContact OD1-CE 3.32Å; D347-K619 IonicContact OD1-NZ 2.98Å; D347-K619 PolarHBondContact OD1-NZ 3.06Å; D347-K619 IonicContact OD2-NZ 2.66Å
348	E	57.3	Low	75.3	Confident	87 Å²	87	36.1 Å²	36.1	41%	0.407	18%	0.175	S	C	.	.	S	Bend	trans	56.3	-11.6	-178.2	-61.9	-168.7	164	0	0	116.4	S329 K332	S329-E348 CarbonylContact C-O 3.56Å; K332-E348 WeakPolarHBondContact CG-OE1 3.27Å
349	K	61.1	Low	77	Confident	186 Å²	186	31.9 Å²	31.9	81%	0.809	15%	0.153	S	C	*	.			trans	-121	90.7	179.8	-67.5	-177.7	-177.4	177.9	0	110.2	D347	D347-K349 PolarHBondContact O-N 3.44Å
350	Y	70.2	Confident	78.6	Confident	17 Å²	17	31.5 Å²	31.5	7%	0.067	15%	0.149	C	C	.	.			trans	-124.3	153.5	179.3	61.1	-96.2	0	0	0	111.4	L293 R295 S329 V354	L293-Y350 HydrophobicContact CD1-CD2 3.77Å; L293-Y350 HydrophobicContact CD1-CE2 3.5Å; R295-Y350 VanDerWaalsContact CD-OH 3.3Å; R295-Y350 WeakPolarHBondContact CD-OH 3.32Å; R295-Y350 HydrophobicContact CG-CE2 4.34Å; R295-Y350 PolarHBondContact NH1-OH 2.85Å; S329-Y350 WeakPolarHBondContact CB-O 3.47Å; S329-Y350 WeakPolarHBondContact OG-CE2 3.21Å; S329-Y350 PolarHBondContact OG-O 3.46Å; Y350-V354 HydrophobicContact CD2-CG1 3.66Å; Y350-V354 HydrophobicContact CD2-CG2 4.17Å; Y350-V354 HydrophobicContact CG-CG1 3.85Å
351	D	82.2	Confident	79.4	Confident	49 Å²	49	31 Å²	31	26%	0.262	15%	0.147	S	C	.	.			trans	-115.4	-160.8	-171.1	56.8	22.4	0	0	0	110.8	K353 V354	D351-K353 PolarHBondContact O-N 3.17Å; D351-K353 WeakPolarHBondContact OD1-CB 3.19Å; D351-K353 WeakPolarHBondContact OD1-CG 3.07Å; D351-K353 PolarHBondContact OD1-N 2.98Å; D351-V354 WeakPolarHBondContact O-CG2 3.14Å
352	E	87.8	Confident	80.5	Confident	40 Å²	40	29.9 Å²	29.9	19%	0.187	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-10.9	178.1	78.7	-64.4	152.2	0	0	114.8	H285 L293 V354 D355	H285-E352 HydrophobicContact CB-CB 4.27Å; H285-E352 HydrophobicContact CB-CG 4.3Å; L293-E352 VanDerWaalsContact CD2-CA 3.44Å; L293-E352 HydrophobicContact CD2-CB 3.91Å; E352-V354 PolarHBondContact O-N 3.43Å; E352-D355 PolarHBondContact O-N 3.4Å
353	K	90.7	Very high	81.7	Confident	15 Å²	15	29.8 Å²	29.8	7%	0.065	14%	0.141	C	C	.	.	H	α-helix	trans	-72.2	-12.8	-179.2	-52.9	-63.2	-174.9	154.9	0	113.3	D351 I356 Y357 T415 R418 P419	D351-K353 PolarHBondContact O-N 3.17Å; D351-K353 WeakPolarHBondContact OD1-CB 3.19Å; D351-K353 WeakPolarHBondContact OD1-CG 3.07Å; D351-K353 PolarHBondContact OD1-N 2.98Å; K353-I356 HydrophobicContact CD-CG1 4.32Å; K353-I356 PolarHBondContact O-N 3.28Å; K353-Y357 PolarHBondContact O-N 3.41Å; K353-Y357 VanDerWaalsContact O-N 3.1Å; K353-T415 HydrophobicContact CB-CG2 4.02Å; K353-R418 HydrophobicContact CD-CB 4.21Å; K353-R418 PolarHBondContact NZ-O 2.87Å; K353-R418 PolarHBondContact O-NH1 3.15Å; K353-P419 PolarHBondContact NZ-O 3.11Å
354	V	89.1	Confident	82.8	Confident	4 Å²	4	29.4 Å²	29.4	2%	0.024	14%	0.138	C	C	.	.	H	α-helix	trans	-63.9	-43.1	170	-58.4	0	0	0	0	111.3	A342 E344 I345 Y350 D351 E352 I356 Y357 A358	A342-V354 HydrophobicContact CB-CB 4.38Å; A342-V354 HydrophobicContact CB-CG1 4.27Å; E344-V354 HydrophobicContact CG-CG1 4.45Å; E344-V354 WeakPolarHBondContact OE1-CG1 3.43Å; I345-V354 HydrophobicContact CD1-CB 4.48Å; I345-V354 HydrophobicContact CD1-CG1 4.31Å; I345-V354 HydrophobicContact CG1-CG1 3.9Å; Y350-V354 HydrophobicContact CD2-CG1 3.66Å; Y350-V354 HydrophobicContact CD2-CG2 4.17Å; Y350-V354 HydrophobicContact CG-CG1 3.85Å; D351-V354 WeakPolarHBondContact O-CG2 3.14Å; E352-V354 PolarHBondContact O-N 3.43Å; V354-I356 VanDerWaalsContact C-N 3.3Å; V354-I356 PolarHBondContact O-N 3.2Å; V354-Y357 PolarHBondContact O-N 2.88Å; V354-A358 WeakPolarHBondContact O-CB 3.46Å; V354-A358 PolarHBondContact O-N 2.8Å
355	D	92.8	Very high	83.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-71.7	-29.5	179.9	-66.6	-23.6	0	0	0	110.9	L281 H285 L293 H294 R295 E352 F359	L281-D355 HydrophobicContact CD2-CB 3.94Å; H285-D355 IonicContact CD2-OD2 2.71Å; H285-D355 IonicContact CE1-OD2 3.74Å; H285-D355 IonicContact NE2-OD2 2.73Å; H285-D355 PolarHBondContact NE2-OD2 3.19Å; L293-D355 WeakPolarHBondContact CA-OD2 3.37Å; H294-D355 WeakPolarHBondContact CB-OD1 3.43Å; H294-D355 PolarHBondContact N-OD1 2.95Å; H294-D355 VanDerWaalsContact N-OD1 3.16Å; H294-D355 PolarHBondContact N-OD2 3.03Å; R295-D355 PolarHBondContact N-OD1 3.44Å; E352-D355 PolarHBondContact O-N 3.4Å; D355-F359 VanDerWaalsContact O-CB 3.25Å; D355-F359 WeakPolarHBondContact O-CB 3.46Å; D355-F359 PolarHBondContact O-N 3.05Å
356	I	95.3	Very high	85.1	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-68	-41.2	174	-55	-59.1	0	0	0	111.5	K353 V354 F359 G360 C410 R418 P419 A421 L424	K353-I356 HydrophobicContact CD-CG1 4.32Å; K353-I356 PolarHBondContact O-N 3.28Å; V354-I356 VanDerWaalsContact C-N 3.3Å; V354-I356 PolarHBondContact O-N 3.2Å; I356-F359 PolarHBondContact O-N 2.93Å; I356-G360 PolarHBondContact O-N 2.81Å; I356-C410 HydrophobicContact CG2-CB 4.32Å; I356-C410 WeakPolarHBondContact O-CB 3.21Å; I356-R418 HydrophobicContact CG2-CB 4.31Å; I356-P419 HydrophobicContact CG2-CG 4.27Å; I356-A421 HydrophobicContact CD1-CB 3.97Å; I356-L424 HydrophobicContact CD1-CD1 4.31Å; I356-L424 HydrophobicContact CG2-CD1 3.95Å
357	Y	93.3	Very high	86.5	Confident	2 Å²	2	25.7 Å²	25.7	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-64.2	-47.3	173.6	-179.2	-83.5	0	0	0	111.1	F340 M341 A342 K353 V354 F359 G360 M361 Y373 T386 C410 I411	F340-Y357 WeakPolarHBondContact O-CD1 3.49Å; M341-Y357 VanDerWaalsContact C-CE1 3.48Å; M341-Y357 WeakPolarHBondContact O-CE1 3.44Å; A342-Y357 HydrophobicContact CB-CD1 3.84Å; A342-Y357 HydrophobicContact CB-CD2 4.29Å; A342-Y357 HydrophobicContact CB-CE1 4.49Å; A342-Y357 HydrophobicContact CB-CG 3.73Å; K353-Y357 PolarHBondContact O-N 3.41Å; K353-Y357 VanDerWaalsContact O-N 3.1Å; V354-Y357 PolarHBondContact O-N 2.88Å; Y357-F359 VanDerWaalsContact C-N 3.28Å; Y357-F359 PolarHBondContact O-N 3.35Å; Y357-G360 WeakPolarHBondContact O-CA 3.22Å; Y357-G360 PolarHBondContact O-N 3.07Å; Y357-M361 HydrophobicContact CD1-CG 4.24Å; Y357-M361 HydrophobicContact CE1-CE 3.74Å; Y357-M361 HydrophobicContact CE1-CG 3.96Å; Y357-M361 HydrophobicContact CE2-CE 4.07Å; Y357-M361 VanDerWaalsContact CZ-CE 3.42Å; Y357-M361 PolarHBondContact O-N 3.47Å; Y357-M361 VanDerWaalsContact OH-CE 3.27Å; Y357-M361 WeakPolarHBondContact OH-CE 3.35Å; Y357-Y373 PolarHBondContact OH-OH 3.4Å; Y357-T386 HydrophobicContact CE2-CG2 4.45Å; Y357-T386 WeakPolarHBondContact OH-CG2 3.32Å; Y357-C410 WeakPolarHBondContact CA-O 3.21Å; Y357-I411 HydrophobicContact CD2-CB 4.12Å; Y357-I411 HydrophobicContact CD2-CG2 4.48Å; Y357-I411 HydrophobicContact CE2-CB 3.98Å
358	A	93.4	Very high	87.8	Confident	3 Å²	3	22.1 Å²	22.1	3%	0.025	10%	0.103	C	C	.	.	H	α-helix	trans	-60.6	-36.1	175.6	0	0	0	0	0	112.3	L297 F340 V354 M361 L362	L297-A358 HydrophobicContact CB-CB 3.98Å; F340-A358 HydrophobicContact CB-CB 4.33Å; V354-A358 WeakPolarHBondContact O-CB 3.46Å; V354-A358 PolarHBondContact O-N 2.8Å; A358-M361 PolarHBondContact O-N 2.76Å; A358-L362 WeakPolarHBondContact O-CB 3.29Å; A358-L362 PolarHBondContact O-N 3.03Å
359	F	96.7	Very high	89.4	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.4	-39.4	171.7	177.8	-106.8	0	0	0	112.5	W274 I277 L278 L281 L297 D355 I356 Y357 M361 L362 M363 L424 F430	W274-F359 HydrophobicContact CB-CE2 4.23Å; W274-F359 HydrophobicContact CB-CZ 4Å; W274-F359 HydrophobicContact CG-CZ 4.46Å; I277-F359 HydrophobicContact CB-CE2 4.17Å; I277-F359 HydrophobicContact CG2-CD2 3.74Å; I277-F359 HydrophobicContact CG2-CE2 3.84Å; L278-F359 HydrophobicContact CD1-CE1 3.94Å; L278-F359 HydrophobicContact CD1-CZ 3.7Å; L278-F359 HydrophobicContact CD2-CD1 4.02Å; L278-F359 HydrophobicContact CD2-CE1 3.63Å; L278-F359 HydrophobicContact CD2-CE2 4.36Å; L278-F359 HydrophobicContact CD2-CZ 3.82Å; L278-F359 HydrophobicContact CG-CE1 3.83Å; L278-F359 HydrophobicContact CG-CE2 4.03Å; L278-F359 HydrophobicContact CG-CZ 3.49Å; L278-F359 VanDerWaalsContact CG-CZ 3.49Å; L281-F359 HydrophobicContact CD1-CB 4.19Å; L281-F359 HydrophobicContact CD1-CD2 4.37Å; L281-F359 HydrophobicContact CD1-CG 4.31Å; L297-F359 HydrophobicContact CD2-CB 3.77Å; L297-F359 HydrophobicContact CD2-CD2 4.35Å; D355-F359 VanDerWaalsContact O-CB 3.25Å; D355-F359 WeakPolarHBondContact O-CB 3.46Å; D355-F359 PolarHBondContact O-N 3.05Å; I356-F359 PolarHBondContact O-N 2.93Å; Y357-F359 VanDerWaalsContact C-N 3.28Å; Y357-F359 PolarHBondContact O-N 3.35Å; F359-M361 VanDerWaalsContact C-N 3.32Å; F359-M361 PolarHBondContact O-N 3.33Å; F359-L362 PolarHBondContact O-N 3.24Å; F359-M363 HydrophobicContact CD1-CE 3.59Å; F359-M363 HydrophobicContact CD1-SD 4.27Å; F359-M363 HydrophobicContact CE1-CE 3.4Å; F359-M363 HydrophobicContact CE1-CG 4.15Å; F359-M363 HydrophobicContact CE1-SD 3.54Å; F359-M363 VanDerWaalsContact CE1-SD 3.54Å; F359-M363 HydrophobicContact CE2-CG 4.32Å; F359-M363 HydrophobicContact CG-CE 4.49Å; F359-M363 HydrophobicContact CZ-CE 4.18Å; F359-M363 HydrophobicContact CZ-CG 4.01Å; F359-M363 HydrophobicContact CZ-SD 3.75Å; F359-M363 WeakPolarHBondContact O-CG 3.27Å; F359-M363 PolarHBondContact O-N 2.91Å; F359-L424 HydrophobicContact CD1-CD1 3.99Å; F359-L424 HydrophobicContact CE1-CD1 4.12Å; F359-F430 HydrophobicContact CE1-CZ 4.34Å; F359-F430 HydrophobicContact CZ-CE1 4.44Å; F359-F430 HydrophobicContact CZ-CZ 4.36Å
360	G	95.7	Very high	90.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-56.4	-45.9	170.1	0	0	0	0	0	112.5	I356 Y357 M363 L364	I356-G360 PolarHBondContact O-N 2.81Å; Y357-G360 WeakPolarHBondContact O-CA 3.22Å; Y357-G360 PolarHBondContact O-N 3.07Å; G360-M363 PolarHBondContact O-N 2.97Å; G360-L364 PolarHBondContact O-N 2.79Å
361	M	94.5	Very high	91.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-69.7	-34.3	177.1	-65.6	-54.6	-177.3	0	0	113	F340 Y357 A358 F359 L364 E365 P372 Y373 P392 I411	F340-M361 HydrophobicContact CD1-CB 3.63Å; F340-M361 HydrophobicContact CE1-CB 4.08Å; F340-M361 HydrophobicContact CG-CB 4.3Å; Y357-M361 HydrophobicContact CD1-CG 4.24Å; Y357-M361 HydrophobicContact CE1-CE 3.74Å; Y357-M361 HydrophobicContact CE1-CG 3.96Å; Y357-M361 HydrophobicContact CE2-CE 4.07Å; Y357-M361 VanDerWaalsContact CZ-CE 3.42Å; Y357-M361 PolarHBondContact O-N 3.47Å; Y357-M361 VanDerWaalsContact OH-CE 3.27Å; Y357-M361 WeakPolarHBondContact OH-CE 3.35Å; A358-M361 PolarHBondContact O-N 2.76Å; F359-M361 VanDerWaalsContact C-N 3.32Å; F359-M361 PolarHBondContact O-N 3.33Å; M361-L364 PolarHBondContact O-N 3.33Å; M361-L364 HydrophobicContact SD-CD2 4.47Å; M361-E365 WeakPolarHBondContact O-CB 3.32Å; M361-E365 PolarHBondContact O-N 3.17Å; M361-P372 HydrophobicContact CB-CB 4.31Å; M361-P372 HydrophobicContact CB-CG 3.98Å; M361-P372 HydrophobicContact CG-CB 4.43Å; M361-P372 HydrophobicContact SD-CB 3.86Å; M361-P372 HydrophobicContact SD-CG 4.41Å; M361-Y373 HydrophobicContact CE-CE2 3.67Å; M361-P392 HydrophobicContact CE-CG 4.37Å; M361-P392 HydrophobicContact SD-CG 4.2Å; M361-I411 HydrophobicContact CE-CB 4.01Å; M361-I411 HydrophobicContact CE-CD1 4.29Å; M361-I411 HydrophobicContact CE-CG2 3.7Å; M361-I411 HydrophobicContact CG-CG2 4.27Å; M361-I411 HydrophobicContact SD-CG2 3.94Å
362	L	95	Very high	91.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.8	-44.7	172.1	-177.5	161.1	0	0	0	111.7	L250 I277 L297 A358 F359 L364 E365 V366	L250-L362 HydrophobicContact CD2-CD2 4.42Å; I277-L362 HydrophobicContact CD1-CD1 4.3Å; I277-L362 HydrophobicContact CD1-CD2 4.07Å; L297-L362 HydrophobicContact CD1-CD1 4.25Å; L297-L362 HydrophobicContact CD2-CD1 4.5Å; L297-L362 HydrophobicContact CG-CD1 3.95Å; A358-L362 WeakPolarHBondContact O-CB 3.29Å; A358-L362 PolarHBondContact O-N 3.03Å; F359-L362 PolarHBondContact O-N 3.24Å; L362-L364 PolarHBondContact O-N 3.05Å; L362-E365 PolarHBondContact O-N 3.21Å; L362-V366 HydrophobicContact CD2-CG2 3.97Å; L362-V366 WeakPolarHBondContact O-CB 3.33Å; L362-V366 VanDerWaalsContact O-CG2 3.25Å; L362-V366 WeakPolarHBondContact O-CG2 3.28Å; L362-V366 PolarHBondContact O-N 2.99Å
363	M	94.9	Very high	91.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-59	-37.7	175.1	-72	-172.8	-73.3	0	0	111.5	W274 F359 G360 M367 L403 V406 I407 C410 F430	W274-M363 HydrophobicContact CD2-CG 3.84Å; W274-M363 HydrophobicContact CD2-SD 4.31Å; W274-M363 HydrophobicContact CE3-CG 4.43Å; W274-M363 HydrophobicContact CE3-SD 4.41Å; W274-M363 HydrophobicContact CG-CG 4.07Å; W274-M363 HydrophobicContact CH2-CB 4.39Å; W274-M363 HydrophobicContact CZ2-CB 3.84Å; W274-M363 HydrophobicContact CZ2-CG 3.99Å; W274-M363 WeakPolarHBondContact CZ2-O 3.47Å; F359-M363 HydrophobicContact CD1-CE 3.59Å; F359-M363 HydrophobicContact CD1-SD 4.27Å; F359-M363 HydrophobicContact CE1-CE 3.4Å; F359-M363 HydrophobicContact CE1-CG 4.15Å; F359-M363 HydrophobicContact CE1-SD 3.54Å; F359-M363 VanDerWaalsContact CE1-SD 3.54Å; F359-M363 HydrophobicContact CE2-CG 4.32Å; F359-M363 HydrophobicContact CG-CE 4.49Å; F359-M363 HydrophobicContact CZ-CE 4.18Å; F359-M363 HydrophobicContact CZ-CG 4.01Å; F359-M363 HydrophobicContact CZ-SD 3.75Å; F359-M363 WeakPolarHBondContact O-CG 3.27Å; F359-M363 PolarHBondContact O-N 2.91Å; G360-M363 PolarHBondContact O-N 2.97Å; M363-M367 WeakPolarHBondContact O-CB 3.34Å; M363-M367 VanDerWaalsContact O-CG 3.25Å; M363-M367 WeakPolarHBondContact O-CG 3.46Å; M363-M367 PolarHBondContact O-N 2.79Å; M363-M367 VanDerWaalsContact O-N 3.14Å; M363-L403 HydrophobicContact SD-CD1 4.24Å; M363-V406 HydrophobicContact CE-CG1 4.02Å; M363-V406 HydrophobicContact SD-CG1 4.35Å; M363-I407 HydrophobicContact CB-CD1 4.01Å; M363-I407 HydrophobicContact CB-CG1 3.92Å; M363-I407 HydrophobicContact CE-CG1 4.03Å; M363-I407 HydrophobicContact SD-CG1 4.45Å; M363-C410 HydrophobicContact CE-CB 4.47Å; M363-F430 HydrophobicContact SD-CE1 4.25Å; M363-F430 HydrophobicContact SD-CZ 3.93Å
364	L	92.1	Very high	91.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-72.8	-43.9	178.9	-170	58	0	0	0	112.7	G360 M361 L362 V366 M367 T368 P392 I394 M395 V398 I407	G360-L364 PolarHBondContact O-N 2.79Å; M361-L364 PolarHBondContact O-N 3.33Å; M361-L364 HydrophobicContact SD-CD2 4.47Å; L362-L364 PolarHBondContact O-N 3.05Å; L364-V366 VanDerWaalsContact C-N 3.32Å; L364-V366 PolarHBondContact O-N 2.93Å; L364-M367 PolarHBondContact O-N 3.19Å; L364-T368 HydrophobicContact CD1-CG2 4Å; L364-T368 WeakPolarHBondContact O-CB 3.17Å; L364-T368 WeakPolarHBondContact O-CG2 3.34Å; L364-T368 PolarHBondContact O-N 3.28Å; L364-T368 VanDerWaalsContact O-N 3.07Å; L364-T368 PolarHBondContact O-OG1 2.83Å; L364-P392 HydrophobicContact CD2-CG 3.48Å; L364-P392 VanDerWaalsContact CD2-CG 3.48Å; L364-I394 HydrophobicContact CD1-CG1 4.24Å; L364-I394 HydrophobicContact CD2-CD1 4.09Å; L364-I394 HydrophobicContact CD2-CG1 3.8Å; L364-I394 HydrophobicContact CG-CD1 3.88Å; L364-I394 HydrophobicContact CG-CG1 3.88Å; L364-M395 HydrophobicContact CD1-SD 4.39Å; L364-M395 HydrophobicContact CD2-CB 4.47Å; L364-V398 HydrophobicContact CD1-CG2 3.38Å; L364-I407 HydrophobicContact CB-CD1 4.43Å; L364-I407 HydrophobicContact CD1-CD1 4.46Å
365	E	92.5	Very high	91.2	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.019	11%	0.106	C	C	.	.	H	α-helix	trans	-55.2	-46.9	171.4	175.1	179.1	-136.5	0	0	111.2	K251 A299 F340 M361 L362 M367 N369 R370 P372	K251-E365 WeakPolarHBondContact CD-OE1 3.27Å; K251-E365 WeakPolarHBondContact CE-OE1 3.47Å; K251-E365 IonicContact NZ-OE1 2.72Å; K251-E365 PolarHBondContact NZ-OE1 3.02Å; A299-E365 HydrophobicContact CB-CG 4.3Å; A299-E365 WeakPolarHBondContact CB-OE2 3.2Å; A299-E365 PolarHBondContact N-OE2 3.03Å; F340-E365 HydrophobicContact CE1-CB 4.49Å; F340-E365 HydrophobicContact CZ-CB 4.44Å; F340-E365 WeakPolarHBondContact CZ-OE2 3.43Å; M361-E365 WeakPolarHBondContact O-CB 3.32Å; M361-E365 PolarHBondContact O-N 3.17Å; L362-E365 PolarHBondContact O-N 3.21Å; E365-M367 PolarHBondContact O-N 3.14Å; E365-N369 VanDerWaalsContact O-CA 3.29Å; E365-N369 WeakPolarHBondContact O-CA 3.19Å; E365-N369 PolarHBondContact O-N 2.93Å; E365-R370 WeakPolarHBondContact CA-O 3.32Å; E365-P372 HydrophobicContact CB-CG 4.36Å
366	V	91.2	Very high	90.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-66.2	-34.9	-178.9	164.6	0	0	0	0	113	L250 I254 I270 W274 A299 L362 L364	L250-V366 HydrophobicContact CD2-CG2 3.83Å; L250-V366 HydrophobicContact CG-CG2 4.15Å; I254-V366 HydrophobicContact CD1-CG1 3.9Å; I254-V366 HydrophobicContact CG1-CB 4.48Å; I254-V366 HydrophobicContact CG1-CG1 4.12Å; I254-V366 HydrophobicContact CG1-CG2 4.29Å; I270-V366 HydrophobicContact CG2-CG1 3.45Å; I270-V366 VanDerWaalsContact CG2-CG1 3.45Å; W274-V366 HydrophobicContact CZ2-CB 4.22Å; W274-V366 HydrophobicContact CZ2-CG1 3.86Å; A299-V366 HydrophobicContact CB-CG2 4.02Å; L362-V366 HydrophobicContact CD2-CG2 3.97Å; L362-V366 WeakPolarHBondContact O-CB 3.33Å; L362-V366 VanDerWaalsContact O-CG2 3.25Å; L362-V366 WeakPolarHBondContact O-CG2 3.28Å; L362-V366 PolarHBondContact O-N 2.99Å; L364-V366 VanDerWaalsContact C-N 3.32Å; L364-V366 PolarHBondContact O-N 2.93Å
367	M	90.2	Very high	89.9	Confident	44 Å²	44	31.1 Å²	31.1	22%	0.217	15%	0.154	C	C	.	.	H	α-helix	trans	-81.5	-29	-179.6	-74.8	-82.8	108.1	0	0	114	F267 I270 W274 M363 L364 E365 L403	F267-M367 HydrophobicContact CD2-CE 3.99Å; F267-M367 HydrophobicContact CD2-SD 4.29Å; F267-M367 HydrophobicContact CE2-CE 4.07Å; F267-M367 HydrophobicContact CE2-SD 4Å; I270-M367 HydrophobicContact CB-CE 4.31Å; I270-M367 HydrophobicContact CD1-CE 3.54Å; I270-M367 HydrophobicContact CG2-CE 3.81Å; W274-M367 HydrophobicContact CH2-CE 3.6Å; W274-M367 HydrophobicContact CH2-CG 3.6Å; W274-M367 HydrophobicContact CH2-SD 3.84Å; W274-M367 HydrophobicContact CZ2-CE 3.99Å; W274-M367 HydrophobicContact CZ2-CG 3.82Å; W274-M367 HydrophobicContact CZ2-SD 4.48Å; W274-M367 HydrophobicContact CZ3-CE 4.5Å; M363-M367 WeakPolarHBondContact O-CB 3.34Å; M363-M367 VanDerWaalsContact O-CG 3.25Å; M363-M367 WeakPolarHBondContact O-CG 3.46Å; M363-M367 PolarHBondContact O-N 2.79Å; M363-M367 VanDerWaalsContact O-N 3.14Å; L364-M367 PolarHBondContact O-N 3.19Å; E365-M367 PolarHBondContact O-N 3.14Å; M367-L403 HydrophobicContact CG-CD2 3.7Å; M367-L403 HydrophobicContact SD-CD2 3.56Å; M367-L403 VanDerWaalsContact SD-CD2 3.56Å
368	T	88.8	Confident	88.9	Confident	12 Å²	12	34.1 Å²	34.1	7%	0.074	17%	0.172	C	C	.	.	H	α-helix	trans	-106.6	-16.1	-172.9	61.1	0	0	0	0	113.4	F258 L364 R370 I394 M397	F258-T368 WeakPolarHBondContact CZ-O 3.45Å; L364-T368 HydrophobicContact CD1-CG2 4Å; L364-T368 WeakPolarHBondContact O-CB 3.17Å; L364-T368 WeakPolarHBondContact O-CG2 3.34Å; L364-T368 PolarHBondContact O-N 3.28Å; L364-T368 VanDerWaalsContact O-N 3.07Å; L364-T368 PolarHBondContact O-OG1 2.83Å; T368-R370 PolarHBondContact O-N 3.4Å; T368-R370 PolarHBondContact OG1-N 3.45Å; T368-I394 HydrophobicContact CG2-CB 4.27Å; T368-M397 HydrophobicContact CG2-CB 4.24Å
369	N	90.3	Very high	87.9	Confident	50 Å²	50	37.2 Å²	37.2	27%	0.267	19%	0.191	S	C	.	.	S	Bend	trans	53.2	26.9	-169.1	-170.4	45.1	0	0	0	113	I254 F258 E365	I254-N369 HydrophobicContact CG2-CB 4.17Å; F258-N369 HydrophobicContact CB-CB 4.23Å; F258-N369 HydrophobicContact CD1-CB 3.83Å; F258-N369 HydrophobicContact CD2-CB 3.52Å; F258-N369 HydrophobicContact CE1-CB 3.97Å; F258-N369 HydrophobicContact CE2-CB 3.68Å; F258-N369 HydrophobicContact CG-CB 3.59Å; F258-N369 HydrophobicContact CZ-CB 3.91Å; E365-N369 VanDerWaalsContact O-CA 3.29Å; E365-N369 WeakPolarHBondContact O-CA 3.19Å; E365-N369 PolarHBondContact O-N 2.93Å
370	R	88.5	Confident	86.7	Confident	116 Å²	116	39.3 Å²	39.3	44%	0.438	20%	0.202	S	C	.	.	S	Bend	trans	-115.1	157.1	176.4	-71.6	175.8	173.7	-102.4	4	110.9	E365 T368 D374 I394	E365-R370 WeakPolarHBondContact CA-O 3.32Å; T368-R370 PolarHBondContact O-N 3.4Å; T368-R370 PolarHBondContact OG1-N 3.45Å; R370-D374 WeakPolarHBondContact CD-OD2 3.41Å; R370-D374 IonicContact CZ-OD2 3.33Å; R370-D374 IonicContact NE-OD2 3.04Å; R370-D374 IonicContact NH1-OD2 2.76Å; R370-D374 PolarHBondContact NH1-OD2 3.34Å; R370-I394 HydrophobicContact CB-CD1 4.08Å; R370-I394 HydrophobicContact CB-CG2 4.29Å
371	T	86.2	Confident	86	Confident	72 Å²	72	42.7 Å²	42.7	44%	0.442	22%	0.217	S	C	.	.			trans	-74.7	134	169.9	-54	0	0	0	0	108.8	Y373 D374	T371-Y373 PolarHBondContact O-N 3.39Å; T371-D374 WeakPolarHBondContact O-CB 3.4Å; T371-D374 PolarHBondContact O-N 3.09Å; T371-D374 VanDerWaalsContact O-N 3.1Å
372	P	87.3	Confident	85.3	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.013	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	131	172	-25.3	35.6	0	0	0	111.7	F340 M361 E365	F340-P372 HydrophobicContact CE1-CG 4.13Å; F340-P372 HydrophobicContact CE2-CG 4.44Å; F340-P372 HydrophobicContact CZ-CG 3.97Å; M361-P372 HydrophobicContact CB-CB 4.31Å; M361-P372 HydrophobicContact CB-CG 3.98Å; M361-P372 HydrophobicContact CG-CB 4.43Å; M361-P372 HydrophobicContact SD-CB 3.86Å; M361-P372 HydrophobicContact SD-CG 4.41Å; E365-P372 HydrophobicContact CB-CG 4.36Å
373	Y	86.6	Confident	84.3	Confident	10 Å²	10	44.1 Å²	44.1	4%	0.039	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	38.9	-169.5	-53.1	-79.9	0	0	0	114.4	Y357 M361 T371 E375 C376 V382 K385 T386 P392	Y357-Y373 PolarHBondContact OH-OH 3.4Å; M361-Y373 HydrophobicContact CE-CE2 3.67Å; T371-Y373 PolarHBondContact O-N 3.39Å; Y373-E375 VanDerWaalsContact CA-OE2 3.26Å; Y373-E375 WeakPolarHBondContact CA-OE2 3.44Å; Y373-E375 PolarHBondContact O-N 2.59Å; Y373-C376 PolarHBondContact O-N 2.91Å; Y373-V382 HydrophobicContact CD2-CG1 3.68Å; Y373-V382 HydrophobicContact CE2-CG1 4.07Å; Y373-V382 HydrophobicContact CG-CG1 3.97Å; Y373-V382 HydrophobicContact CG-CG2 4.39Å; Y373-K385 HydrophobicContact CD1-CD 4.18Å; Y373-K385 HydrophobicContact CE1-CB 4.4Å; Y373-K385 HydrophobicContact CE1-CD 4.19Å; Y373-K385 HydrophobicContact CE1-CG 4.26Å; Y373-T386 PolarHBondContact OH-OG1 3.28Å; Y373-T386 VanDerWaalsContact OH-OG1 3.08Å; Y373-P392 HydrophobicContact CD1-CB 3.56Å; Y373-P392 HydrophobicContact CD2-CB 4.29Å; Y373-P392 HydrophobicContact CE1-CB 3.7Å; Y373-P392 HydrophobicContact CE1-CG 4.29Å; Y373-P392 HydrophobicContact CE2-CB 4.44Å; Y373-P392 HydrophobicContact CG-CB 3.88Å
374	D	84	Confident	83.5	Confident	69 Å²	69	44.5 Å²	44.5	37%	0.369	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-11.6	171.9	66.7	-27.3	0	0	0	113.5	R370 T371 C376 I394	R370-D374 WeakPolarHBondContact CD-OD2 3.41Å; R370-D374 IonicContact CZ-OD2 3.33Å; R370-D374 IonicContact NE-OD2 3.04Å; R370-D374 IonicContact NH1-OD2 2.76Å; R370-D374 PolarHBondContact NH1-OD2 3.34Å; T371-D374 WeakPolarHBondContact O-CB 3.4Å; T371-D374 PolarHBondContact O-N 3.09Å; T371-D374 VanDerWaalsContact O-N 3.1Å; D374-C376 VanDerWaalsContact C-N 3.33Å; D374-I394 WeakPolarHBondContact OD1-CG2 3.5Å
375	E	86.6	Confident	83	Confident	65 Å²	65	45.7 Å²	45.7	30%	0.304	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-8	167.6	75	-88.9	-160.3	0	0	115.1	Y373 K385 P392 D393	Y373-E375 VanDerWaalsContact CA-OE2 3.26Å; Y373-E375 WeakPolarHBondContact CA-OE2 3.44Å; Y373-E375 PolarHBondContact O-N 2.59Å; E375-K385 IonicContact OE1-NZ 2.68Å; E375-K385 PolarHBondContact OE1-NZ 2.98Å; E375-P392 VanDerWaalsContact OE1-CA 3.27Å; E375-P392 WeakPolarHBondContact OE1-CA 3.2Å; E375-D393 HydrophobicContact CG-CB 4.46Å; E375-D393 WeakPolarHBondContact CG-OD2 3.42Å; E375-D393 PolarHBondContact OE1-N 3.25Å
376	C	83.3	Confident	82.5	Confident	27 Å²	27	45.9 Å²	45.9	18%	0.182	24%	0.237	C	C	.	.			trans	-107.9	122.5	-176.4	-68.2	0	0	0	0	111.8	Y373 D374 Q381 V382	Y373-C376 PolarHBondContact O-N 2.91Å; D374-C376 VanDerWaalsContact C-N 3.33Å; C376-Q381 HydrophobicContact CB-CB 4.12Å; C376-V382 HydrophobicContact CB-CG2 3.5Å; C376-V382 VanDerWaalsContact CB-CG2 3.5Å
377	E	76.3	Confident	81.8	Confident	176 Å²	176	46.4 Å²	46.4	82%	0.822	24%	0.24	S	C	*	.	S	Bend	trans	-76.1	-28.7	179	-57.8	177.4	150.8	0	0	112.8
378	T	73.3	Confident	81.1	Confident	65 Å²	65	44.7 Å²	44.7	40%	0.399	23%	0.232	S	C	.	.	S	Bend	trans	-129.6	150	-172.4	65.6	0	0	0	0	113.7	L380 Q381 V382	T378-L380 PolarHBondContact O-N 2.74Å; T378-L380 VanDerWaalsContact O-N 3.15Å; T378-Q381 WeakPolarHBondContact O-CB 3.31Å; T378-Q381 PolarHBondContact O-N 2.78Å; T378-Q381 VanDerWaalsContact OG1-CD 3.23Å; T378-Q381 VanDerWaalsContact OG1-CG 3.28Å; T378-Q381 WeakPolarHBondContact OG1-CG 3.36Å; T378-Q381 PolarHBondContact OG1-N 2.77Å; T378-Q381 PolarHBondContact OG1-OE1 3.48Å; T378-V382 PolarHBondContact O-N 2.87Å; T378-V382 VanDerWaalsContact O-N 3.07Å
379	V	71.9	Confident	80.5	Confident	68 Å²	68	44.8 Å²	44.8	41%	0.412	24%	0.235	S	C	.	.	H	α-helix	trans	-52.1	-36.9	172.3	-176.3	0	0	0	0	112	L338 V382 A383	L338-V379 HydrophobicContact CD1-CG2 3.69Å; L338-V379 HydrophobicContact CD2-CB 4.42Å; L338-V379 HydrophobicContact CD2-CG1 3.88Å; L338-V379 HydrophobicContact CD2-CG2 3.68Å; L338-V379 HydrophobicContact CG-CG2 4.26Å; V379-V382 PolarHBondContact O-N 2.85Å; V379-A383 VanDerWaalsContact O-CB 3.32Å; V379-A383 WeakPolarHBondContact O-CB 3.37Å; V379-A383 PolarHBondContact O-N 2.94Å
380	L	72.4	Confident	80.1	Confident	44 Å²	44	47.3 Å²	47.3	23%	0.23	25%	0.245	C	C	.	.	H	α-helix	trans	-70.8	-33.6	-178	-159.6	70	0	0	0	112	T378 A384 S611 F612 I615	T378-L380 PolarHBondContact O-N 2.74Å; T378-L380 VanDerWaalsContact O-N 3.15Å; L380-A384 WeakPolarHBondContact O-CB 3.32Å; L380-A384 PolarHBondContact O-N 2.95Å; L380-S611 VanDerWaalsContact CD2-OG 3.23Å; L380-S611 WeakPolarHBondContact CD2-OG 3.36Å; L380-S611 WeakPolarHBondContact CG-OG 3.38Å; L380-F612 HydrophobicContact CD1-CD1 3.83Å; L380-F612 HydrophobicContact CD1-CD2 4.13Å; L380-F612 HydrophobicContact CD1-CE1 3.69Å; L380-F612 HydrophobicContact CD1-CE2 4Å; L380-F612 HydrophobicContact CD1-CG 4.04Å; L380-F612 HydrophobicContact CD1-CZ 3.78Å; L380-F612 HydrophobicContact CD2-CD2 3.47Å; L380-F612 VanDerWaalsContact CD2-CD2 3.47Å; L380-F612 HydrophobicContact CD2-CE2 3.52Å; L380-F612 HydrophobicContact CD2-CG 4.06Å; L380-F612 HydrophobicContact CD2-CZ 4.14Å; L380-F612 HydrophobicContact CG-CD2 4.44Å; L380-F612 HydrophobicContact CG-CE2 4.45Å; L380-I615 HydrophobicContact CD1-CD1 3.59Å; L380-I615 HydrophobicContact CG-CD1 4.26Å
381	Q	79.5	Confident	79.9	Confident	71 Å²	71	43.2 Å²	43.2	33%	0.332	24%	0.239	S	C	.	.	H	α-helix	trans	-68.5	-46	169.4	-71.3	157.6	-15.5	0	0	111.3	C376 T378 A383 A384 K385	C376-Q381 HydrophobicContact CB-CB 4.12Å; T378-Q381 WeakPolarHBondContact O-CB 3.31Å; T378-Q381 PolarHBondContact O-N 2.78Å; T378-Q381 VanDerWaalsContact OG1-CD 3.23Å; T378-Q381 VanDerWaalsContact OG1-CG 3.28Å; T378-Q381 WeakPolarHBondContact OG1-CG 3.36Å; T378-Q381 PolarHBondContact OG1-N 2.77Å; T378-Q381 PolarHBondContact OG1-OE1 3.48Å; Q381-A383 VanDerWaalsContact C-N 3.34Å; Q381-A383 PolarHBondContact O-N 2.81Å; Q381-A384 PolarHBondContact O-N 3.33Å; Q381-K385 WeakPolarHBondContact O-CB 3.39Å; Q381-K385 PolarHBondContact O-N 2.66Å
382	V	80.7	Confident	80.1	Confident	20 Å²	20	39.9 Å²	39.9	12%	0.121	22%	0.218	C	C	.	.	H	α-helix	trans	-57.4	-47.5	176.5	177.5	0	0	0	0	111.1	Y373 C376 T378 V379 K385 T386	Y373-V382 HydrophobicContact CD2-CG1 3.68Å; Y373-V382 HydrophobicContact CE2-CG1 4.07Å; Y373-V382 HydrophobicContact CG-CG1 3.97Å; Y373-V382 HydrophobicContact CG-CG2 4.39Å; C376-V382 HydrophobicContact CB-CG2 3.5Å; C376-V382 VanDerWaalsContact CB-CG2 3.5Å; T378-V382 PolarHBondContact O-N 2.87Å; T378-V382 VanDerWaalsContact O-N 3.07Å; V379-V382 PolarHBondContact O-N 2.85Å; V382-K385 PolarHBondContact O-N 3.25Å; V382-T386 WeakPolarHBondContact O-CB 3.38Å; V382-T386 PolarHBondContact O-N 2.76Å; V382-T386 PolarHBondContact O-OG1 3.05Å
383	A	74.3	Confident	80.2	Confident	11 Å²	11	43.1 Å²	43.1	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-45.2	176.3	0	0	0	0	0	111.5	F346 V379 Q381 M387 I615	F346-A383 HydrophobicContact CE2-CB 4.1Å; F346-A383 HydrophobicContact CZ-CB 4.22Å; V379-A383 VanDerWaalsContact O-CB 3.32Å; V379-A383 WeakPolarHBondContact O-CB 3.37Å; V379-A383 PolarHBondContact O-N 2.94Å; Q381-A383 VanDerWaalsContact C-N 3.34Å; Q381-A383 PolarHBondContact O-N 2.81Å; A383-M387 WeakPolarHBondContact O-CB 3.47Å; A383-M387 WeakPolarHBondContact O-CG 3.23Å; A383-M387 PolarHBondContact O-N 3.04Å; A383-I615 HydrophobicContact CB-CD1 3.84Å; A383-I615 HydrophobicContact CB-CG1 4.49Å
384	A	76.5	Confident	80.3	Confident	7 Å²	7	42.8 Å²	42.8	6%	0.058	23%	0.234	C	C	.	.	H	α-helix	trans	-63.7	-40.6	177.3	0	0	0	0	0	113.2	L380 Q381 M387 S388 I614 I615	L380-A384 WeakPolarHBondContact O-CB 3.32Å; L380-A384 PolarHBondContact O-N 2.95Å; Q381-A384 PolarHBondContact O-N 3.33Å; A384-M387 CarbonylContact O-C 3.48Å; A384-M387 PolarHBondContact O-N 2.72Å; A384-S388 PolarHBondContact O-N 2.87Å; A384-I614 HydrophobicContact CB-CB 4.14Å; A384-I614 HydrophobicContact CB-CG2 3.92Å; A384-I615 HydrophobicContact CB-CG1 4.22Å
385	K	82.5	Confident	80.6	Confident	25 Å²	25	40.4 Å²	40.4	11%	0.109	22%	0.221	C	C	.	.	H	α-helix	trans	-66.8	-50.3	178	-165.5	168.6	-173.3	179.8	0	110.8	Y373 E375 Q381 V382 M387 S388 G389 Q390 G391 D393	Y373-K385 HydrophobicContact CD1-CD 4.18Å; Y373-K385 HydrophobicContact CE1-CB 4.4Å; Y373-K385 HydrophobicContact CE1-CD 4.19Å; Y373-K385 HydrophobicContact CE1-CG 4.26Å; E375-K385 IonicContact OE1-NZ 2.68Å; E375-K385 PolarHBondContact OE1-NZ 2.98Å; Q381-K385 WeakPolarHBondContact O-CB 3.39Å; Q381-K385 PolarHBondContact O-N 2.66Å; V382-K385 PolarHBondContact O-N 3.25Å; K385-M387 VanDerWaalsContact C-N 3.28Å; K385-M387 PolarHBondContact O-N 3.03Å; K385-S388 WeakPolarHBondContact O-CB 3.45Å; K385-S388 PolarHBondContact O-N 3.48Å; K385-S388 PolarHBondContact O-OG 3.42Å; K385-G389 PolarHBondContact O-N 2.92Å; K385-Q390 CarbonylContact C-O 3.57Å; K385-Q390 HydrophobicContact CG-CB 3.81Å; K385-Q390 PolarHBondContact O-N 3.45Å; K385-G391 WeakPolarHBondContact CE-O 3.37Å; K385-D393 IonicContact NZ-OD1 3.81Å; K385-D393 PolarHBondContact NZ-OD1 2.64Å; K385-D393 IonicContact NZ-OD2 2.69Å; K385-D393 PolarHBondContact NZ-OD2 3.04Å
386	T	82.1	Confident	80.6	Confident	8 Å²	8	44 Å²	44	5%	0.049	24%	0.238	C	C	.	.	H	α-helix	trans	-54.8	-44.2	172.1	-53.1	0	0	0	0	111.3	P343 Y357 Y373 V382 S388 G389	P343-T386 HydrophobicContact CB-CG2 3.94Å; P343-T386 HydrophobicContact CG-CG2 3.91Å; Y357-T386 HydrophobicContact CE2-CG2 4.45Å; Y357-T386 WeakPolarHBondContact OH-CG2 3.32Å; Y373-T386 PolarHBondContact OH-OG1 3.28Å; Y373-T386 VanDerWaalsContact OH-OG1 3.08Å; V382-T386 WeakPolarHBondContact O-CB 3.38Å; V382-T386 PolarHBondContact O-N 2.76Å; V382-T386 PolarHBondContact O-OG1 3.05Å; T386-S388 VanDerWaalsContact C-N 3.34Å; T386-S388 PolarHBondContact O-N 2.97Å; T386-G389 WeakPolarHBondContact O-CA 3.19Å; T386-G389 PolarHBondContact O-N 3.02Å
387	M	76.2	Confident	80.8	Confident	13 Å²	13	47.4 Å²	47.4	6%	0.064	25%	0.253	C	S	.	.	H	α-helix	trans	-73.1	-21	179.2	-71.8	-174.4	70.1	0	0	114	A383 A384 K385 G389 I615 Y618 K619 W622	A383-M387 WeakPolarHBondContact O-CB 3.47Å; A383-M387 WeakPolarHBondContact O-CG 3.23Å; A383-M387 PolarHBondContact O-N 3.04Å; A384-M387 CarbonylContact O-C 3.48Å; A384-M387 PolarHBondContact O-N 2.72Å; K385-M387 VanDerWaalsContact C-N 3.28Å; K385-M387 PolarHBondContact O-N 3.03Å; M387-G389 PolarHBondContact O-N 3.25Å; M387-I615 HydrophobicContact CE-CG2 3.99Å; M387-I615 WeakPolarHBondContact CE-O 3.33Å; M387-I615 HydrophobicContact SD-CB 4.16Å; M387-I615 HydrophobicContact SD-CG1 3.91Å; M387-I615 HydrophobicContact SD-CG2 3.74Å; M387-Y618 WeakPolarHBondContact O-CB 3.35Å; M387-Y618 WeakPolarHBondContact O-CD1 3.32Å; M387-K619 HydrophobicContact CE-CB 3.82Å; M387-K619 HydrophobicContact CE-CD 4.42Å; M387-K619 HydrophobicContact CE-CG 4.33Å; M387-W622 VanDerWaalsContact CA-CZ2 3.47Å; M387-W622 HydrophobicContact CB-CZ2 4.24Å; M387-W622 HydrophobicContact CG-CH2 4.14Å; M387-W622 HydrophobicContact CG-CZ2 4.32Å; M387-W622 VanDerWaalsContact O-CZ2 3.31Å; M387-W622 WeakPolarHBondContact O-CZ2 3.48Å; M387-W622 PolarHBondContact O-NE1 3.06Å
388	S	75.3	Confident	81.2	Confident	7 Å²	7	39.5 Å²	39.5	5%	0.049	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-9	167	78.8	0	0	0	0	113.3	A384 K385 T386 Q390 K574	A384-S388 PolarHBondContact O-N 2.87Å; K385-S388 WeakPolarHBondContact O-CB 3.45Å; K385-S388 PolarHBondContact O-N 3.48Å; K385-S388 PolarHBondContact O-OG 3.42Å; T386-S388 VanDerWaalsContact C-N 3.34Å; T386-S388 PolarHBondContact O-N 2.97Å; S388-Q390 WeakPolarHBondContact OG-CB 3.27Å; S388-Q390 WeakPolarHBondContact OG-CG 3.33Å; S388-Q390 PolarHBondContact OG-N 3.37Å; S388-K574 PolarHBondContact O-NZ 3.47Å
389	G	77.8	Confident	81.6	Confident	14 Å²	14	42.3 Å²	42.3	14%	0.144	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	23.8	-170	0	0	0	0	0	112.8	K385 T386 M387 K574	K385-G389 PolarHBondContact O-N 2.92Å; T386-G389 WeakPolarHBondContact O-CA 3.19Å; T386-G389 PolarHBondContact O-N 3.02Å; M387-G389 PolarHBondContact O-N 3.25Å; G389-K574 WeakPolarHBondContact O-CE 3.33Å; G389-K574 PolarHBondContact O-NZ 2.76Å
390	Q	79.9	Confident	82.1	Confident	104 Å²	104	41.6 Å²	41.6	49%	0.486	23%	0.232	S	C	.	.			trans	-90.8	132.2	165.4	-68	174.3	15.1	0	0	108.2	K385 S388	K385-Q390 CarbonylContact C-O 3.57Å; K385-Q390 HydrophobicContact CG-CB 3.81Å; K385-Q390 PolarHBondContact O-N 3.45Å; S388-Q390 WeakPolarHBondContact OG-CB 3.27Å; S388-Q390 WeakPolarHBondContact OG-CG 3.33Å; S388-Q390 PolarHBondContact OG-N 3.37Å
391	G	85.9	Confident	82.8	Confident	29 Å²	29	43 Å²	43	30%	0.299	24%	0.244	S	C	.	.			trans	-76.4	176.3	166.9	0	0	0	0	0	111.9	K385	K385-G391 WeakPolarHBondContact CE-O 3.37Å
392	P	89.5	Confident	83.1	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.013	25%	0.246	C	C	.	.			trans	-69.1	148.9	175.6	30.3	-36.3	0	0	0	111.5	M361 L364 Y373 E375 I394 M395	M361-P392 HydrophobicContact CE-CG 4.37Å; M361-P392 HydrophobicContact SD-CG 4.2Å; L364-P392 HydrophobicContact CD2-CG 3.48Å; L364-P392 VanDerWaalsContact CD2-CG 3.48Å; Y373-P392 HydrophobicContact CD1-CB 3.56Å; Y373-P392 HydrophobicContact CD2-CB 4.29Å; Y373-P392 HydrophobicContact CE1-CB 3.7Å; Y373-P392 HydrophobicContact CE1-CG 4.29Å; Y373-P392 HydrophobicContact CE2-CB 4.44Å; Y373-P392 HydrophobicContact CG-CB 3.88Å; E375-P392 VanDerWaalsContact OE1-CA 3.27Å; E375-P392 WeakPolarHBondContact OE1-CA 3.2Å; P392-I394 VanDerWaalsContact C-N 3.27Å; P392-I394 HydrophobicContact CB-CG1 4.23Å; P392-I394 HydrophobicContact CG-CG1 4.39Å; P392-I394 PolarHBondContact O-N 2.92Å; P392-M395 WeakPolarHBondContact O-CB 3.31Å; P392-M395 PolarHBondContact O-N 3.17Å
393	D	89.5	Confident	83.5	Confident	71 Å²	71	41.2 Å²	41.2	38%	0.38	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-67.6	-27.2	-171.7	-70.8	-27.7	0	0	0	113.3	E375 K385 M395 Q396	E375-D393 HydrophobicContact CG-CB 4.46Å; E375-D393 WeakPolarHBondContact CG-OD2 3.42Å; E375-D393 PolarHBondContact OE1-N 3.25Å; K385-D393 IonicContact NZ-OD1 3.81Å; K385-D393 PolarHBondContact NZ-OD1 2.64Å; K385-D393 IonicContact NZ-OD2 2.69Å; K385-D393 PolarHBondContact NZ-OD2 3.04Å; D393-M395 PolarHBondContact O-N 3.46Å; D393-Q396 VanDerWaalsContact O-CB 3.29Å; D393-Q396 WeakPolarHBondContact O-CB 3.38Å; D393-Q396 VanDerWaalsContact O-CG 3.31Å; D393-Q396 WeakPolarHBondContact O-CG 3.35Å; D393-Q396 PolarHBondContact O-N 2.73Å
394	I	90	Very high	84.4	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-60	-15.3	173.3	66.6	175	0	0	0	113.3	L364 T368 R370 D374 P392 Q396 M397	L364-I394 HydrophobicContact CD1-CG1 4.24Å; L364-I394 HydrophobicContact CD2-CD1 4.09Å; L364-I394 HydrophobicContact CD2-CG1 3.8Å; L364-I394 HydrophobicContact CG-CD1 3.88Å; L364-I394 HydrophobicContact CG-CG1 3.88Å; T368-I394 HydrophobicContact CG2-CB 4.27Å; R370-I394 HydrophobicContact CB-CD1 4.08Å; R370-I394 HydrophobicContact CB-CG2 4.29Å; D374-I394 WeakPolarHBondContact OD1-CG2 3.5Å; P392-I394 VanDerWaalsContact C-N 3.27Å; P392-I394 HydrophobicContact CB-CG1 4.23Å; P392-I394 HydrophobicContact CG-CG1 4.39Å; P392-I394 PolarHBondContact O-N 2.92Å; I394-Q396 PolarHBondContact O-N 3.18Å; I394-M397 HydrophobicContact CB-SD 4.39Å; I394-M397 HydrophobicContact CG2-CE 4.21Å; I394-M397 HydrophobicContact CG2-SD 4.38Å; I394-M397 WeakPolarHBondContact O-CB 3.4Å; I394-M397 PolarHBondContact O-N 3.16Å
395	M	88.8	Confident	85.1	Confident	19 Å²	19	49.5 Å²	49.5	9%	0.094	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-59.3	-21.1	168.5	-173.2	59.5	158.5	0	0	113.1	L364 P392 D393 M397 V398 R404 I407 I411	L364-M395 HydrophobicContact CD1-SD 4.39Å; L364-M395 HydrophobicContact CD2-CB 4.47Å; P392-M395 WeakPolarHBondContact O-CB 3.31Å; P392-M395 PolarHBondContact O-N 3.17Å; D393-M395 PolarHBondContact O-N 3.46Å; M395-M397 VanDerWaalsContact C-N 3.32Å; M395-V398 HydrophobicContact SD-CG2 4.41Å; M395-R404 HydrophobicContact CE-CG 3.76Å; M395-R404 VanDerWaalsContact CE-O 3.22Å; M395-R404 WeakPolarHBondContact CE-O 3.34Å; M395-R404 HydrophobicContact SD-CG 4.08Å; M395-I407 HydrophobicContact CE-CB 3.9Å; M395-I407 HydrophobicContact CE-CG2 3.69Å; M395-I407 HydrophobicContact SD-CB 4.22Å; M395-I407 HydrophobicContact SD-CG2 3.69Å; M395-I411 HydrophobicContact CE-CD1 4.46Å
396	Q	87.8	Confident	85.6	Confident	142 Å²	142	48.5 Å²	48.5	66%	0.664	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-75	-20.6	173.6	-58.6	-178.7	52.2	0	0	112.8	D393 I394 V398	D393-Q396 VanDerWaalsContact O-CB 3.29Å; D393-Q396 WeakPolarHBondContact O-CB 3.38Å; D393-Q396 VanDerWaalsContact O-CG 3.31Å; D393-Q396 WeakPolarHBondContact O-CG 3.35Å; D393-Q396 PolarHBondContact O-N 2.73Å; I394-Q396 PolarHBondContact O-N 3.18Å; Q396-V398 VanDerWaalsContact C-N 3.33Å
397	M	86.1	Confident	86.2	Confident	97 Å²	97	48.1 Å²	48.1	48%	0.478	27%	0.265	S	S	.	.	S	Bend	trans	-79.8	-14.7	178.5	-55.2	-179	-175.1	0	0	112.7	T368 I394 M395 S399	T368-M397 HydrophobicContact CG2-CB 4.24Å; I394-M397 HydrophobicContact CB-SD 4.39Å; I394-M397 HydrophobicContact CG2-CE 4.21Å; I394-M397 HydrophobicContact CG2-SD 4.38Å; I394-M397 WeakPolarHBondContact O-CB 3.4Å; I394-M397 PolarHBondContact O-N 3.16Å; M395-M397 VanDerWaalsContact C-N 3.32Å; M397-S399 PolarHBondContact O-N 2.72Å
398	V	86	Confident	87	Confident	11 Å²	11	50.1 Å²	50.1	7%	0.067	28%	0.28	C	S	.	.			trans	-73.5	92.5	-179.2	-174.8	0	0	0	0	110.3	L364 M395 Q396 N400 L403 R404 I407	L364-V398 HydrophobicContact CD1-CG2 3.38Å; M395-V398 HydrophobicContact SD-CG2 4.41Å; Q396-V398 VanDerWaalsContact C-N 3.33Å; V398-N400 VanDerWaalsContact C-N 3.27Å; V398-N400 PolarHBondContact O-N 2.98Å; V398-L403 HydrophobicContact CG1-CB 4.34Å; V398-L403 HydrophobicContact CG1-CD2 4.03Å; V398-L403 HydrophobicContact CG1-CG 4.13Å; V398-R404 HydrophobicContact CB-CB 4.46Å; V398-R404 HydrophobicContact CG1-CB 4.08Å; V398-I407 HydrophobicContact CG2-CD1 4.39Å
399	S	81.4	Confident	87.9	Confident	123 Å²	123	50.8 Å²	50.8	86%	0.86	29%	0.286	S	S	*	.			trans	-69	-19.1	-176.6	-61.8	0	0	0	0	114.4	M397 P401	M397-S399 PolarHBondContact O-N 2.72Å; S399-P401 WeakPolarHBondContact O-CD 3.16Å
400	N	83	Confident	88.7	Confident	53 Å²	53	50.2 Å²	50.2	28%	0.283	28%	0.279	S	S	.	.			trans	-87.6	112.2	179	179.4	-31.7	0	0	0	110.4	V398 S402 L403 R404	V398-N400 VanDerWaalsContact C-N 3.27Å; V398-N400 PolarHBondContact O-N 2.98Å; N400-S402 PolarHBondContact O-N 3.31Å; N400-S402 PolarHBondContact OD1-N 3.21Å; N400-S402 VanDerWaalsContact OD1-N 3.1Å; N400-L403 HydrophobicContact CB-CB 3.95Å; N400-L403 PolarHBondContact O-N 3.46Å; N400-L403 PolarHBondContact OD1-N 2.91Å; N400-R404 WeakPolarHBondContact O-CB 3.16Å; N400-R404 PolarHBondContact O-N 2.85Å
401	P	85.2	Confident	89.4	Confident	74.5 Å²	74.5	46 Å²	46	48%	0.484	26%	0.26	S	S	.	.	H	α-helix	trans	-66.4	-41.5	-174.2	25.8	-34.2	0	0	0	113.1	S399 L403 R404 E405 A455	S399-P401 WeakPolarHBondContact O-CD 3.16Å; P401-L403 VanDerWaalsContact C-N 3.33Å; P401-L403 PolarHBondContact O-N 3.32Å; P401-R404 WeakPolarHBondContact O-CB 3.31Å; P401-R404 PolarHBondContact O-N 3.12Å; P401-R404 VanDerWaalsContact O-N 3.15Å; P401-E405 WeakPolarHBondContact O-CB 3.22Å; P401-E405 PolarHBondContact O-N 3.3Å; P401-A455 HydrophobicContact CG-CB 4Å
402	S	86.2	Confident	89.5	Confident	51.5 Å²	51.5	46.5 Å²	46.5	36%	0.36	26%	0.255	S	S	.	.	H	α-helix	trans	-66.8	-30.9	178.1	-54.9	0	0	0	0	112.4	N400 V406 A455	N400-S402 PolarHBondContact O-N 3.31Å; N400-S402 PolarHBondContact OD1-N 3.21Å; N400-S402 VanDerWaalsContact OD1-N 3.1Å; S402-V406 WeakPolarHBondContact O-CG2 3.3Å; S402-V406 PolarHBondContact O-N 2.89Å; S402-A455 WeakPolarHBondContact OG-CB 3.37Å
403	L	90.5	Very high	89.3	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-71.7	-42.6	172.3	-178.1	64.2	0	0	0	111.4	F267 W274 M363 M367 V398 N400 P401 E405 V406 I407 L429	F267-L403 HydrophobicContact CE2-CD2 4.02Å; F267-L403 HydrophobicContact CZ-CD2 4.39Å; W274-L403 HydrophobicContact CH2-CD1 3.86Å; W274-L403 HydrophobicContact CH2-CD2 3.67Å; W274-L403 HydrophobicContact CH2-CG 4.44Å; W274-L403 HydrophobicContact CZ3-CD1 3.65Å; W274-L403 HydrophobicContact CZ3-CD2 4.02Å; M363-L403 HydrophobicContact SD-CD1 4.24Å; M367-L403 HydrophobicContact CG-CD2 3.7Å; M367-L403 HydrophobicContact SD-CD2 3.56Å; M367-L403 VanDerWaalsContact SD-CD2 3.56Å; V398-L403 HydrophobicContact CG1-CB 4.34Å; V398-L403 HydrophobicContact CG1-CD2 4.03Å; V398-L403 HydrophobicContact CG1-CG 4.13Å; N400-L403 HydrophobicContact CB-CB 3.95Å; N400-L403 PolarHBondContact O-N 3.46Å; N400-L403 PolarHBondContact OD1-N 2.91Å; P401-L403 VanDerWaalsContact C-N 3.33Å; P401-L403 PolarHBondContact O-N 3.32Å; L403-E405 VanDerWaalsContact C-N 3.28Å; L403-E405 PolarHBondContact O-N 2.89Å; L403-V406 PolarHBondContact O-N 3.14Å; L403-V406 VanDerWaalsContact O-N 3.16Å; L403-I407 HydrophobicContact CD1-CD1 4.22Å; L403-I407 HydrophobicContact CD1-CG1 4.06Å; L403-I407 HydrophobicContact CD2-CD1 4.31Å; L403-I407 HydrophobicContact CG-CD1 3.91Å; L403-I407 HydrophobicContact CG-CG1 4.28Å; L403-I407 WeakPolarHBondContact O-CG1 3.29Å; L403-I407 PolarHBondContact O-N 3.28Å; L403-L429 HydrophobicContact CB-CD1 4.09Å; L403-L429 HydrophobicContact CD1-CD1 4.19Å; L403-L429 HydrophobicContact CD1-CD2 4.38Å
404	R	91.7	Very high	88.9	Confident	116.5 Å²	116.5	46.9 Å²	46.9	44%	0.44	26%	0.258	S	S	.	.	H	α-helix	trans	-62	-36.5	176.5	-171.6	175.7	173.5	-176.2	-2.8	111.7	M395 V398 N400 P401 S408	M395-R404 HydrophobicContact CE-CG 3.76Å; M395-R404 VanDerWaalsContact CE-O 3.22Å; M395-R404 WeakPolarHBondContact CE-O 3.34Å; M395-R404 HydrophobicContact SD-CG 4.08Å; V398-R404 HydrophobicContact CB-CB 4.46Å; V398-R404 HydrophobicContact CG1-CB 4.08Å; N400-R404 WeakPolarHBondContact O-CB 3.16Å; N400-R404 PolarHBondContact O-N 2.85Å; P401-R404 WeakPolarHBondContact O-CB 3.31Å; P401-R404 PolarHBondContact O-N 3.12Å; P401-R404 VanDerWaalsContact O-N 3.15Å; R404-S408 VanDerWaalsContact O-CB 3.23Å; R404-S408 WeakPolarHBondContact O-CB 3.35Å; R404-S408 PolarHBondContact O-N 2.94Å
405	E	91.3	Very high	88.8	Confident	77 Å²	77	48.4 Å²	48.4	36%	0.36	27%	0.267	S	S	.	.	H	α-helix	trans	-62.1	-49.9	171.7	-177.5	165.7	-135.5	0	0	111.9	P401 L403 I407 S408 A409 V567 K571	P401-E405 WeakPolarHBondContact O-CB 3.22Å; P401-E405 PolarHBondContact O-N 3.3Å; L403-E405 VanDerWaalsContact C-N 3.28Å; L403-E405 PolarHBondContact O-N 2.89Å; E405-I407 PolarHBondContact O-N 3.27Å; E405-S408 PolarHBondContact O-N 3.28Å; E405-A409 PolarHBondContact O-N 3.05Å; E405-V567 HydrophobicContact CG-CG1 4.44Å; E405-K571 IonicContact OE1-NZ 2.72Å; E405-K571 PolarHBondContact OE1-NZ 3.24Å
406	V	93.8	Very high	88.6	Confident	3.5 Å²	3.5	51.3 Å²	51.3	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-60.8	-47.8	176.9	172.6	0	0	0	0	112	M363 S402 L403 S408 A409 C410 L424 H427 L429 F430 F563	M363-V406 HydrophobicContact CE-CG1 4.02Å; M363-V406 HydrophobicContact SD-CG1 4.35Å; S402-V406 WeakPolarHBondContact O-CG2 3.3Å; S402-V406 PolarHBondContact O-N 2.89Å; L403-V406 PolarHBondContact O-N 3.14Å; L403-V406 VanDerWaalsContact O-N 3.16Å; V406-S408 VanDerWaalsContact C-N 3.3Å; V406-S408 PolarHBondContact O-N 3.15Å; V406-A409 WeakPolarHBondContact O-CB 3.43Å; V406-A409 PolarHBondContact O-N 3.26Å; V406-C410 PolarHBondContact O-N 3.07Å; V406-C410 PolarHBondContact O-SG 3.16Å; V406-C410 VanDerWaalsContact O-SG 3.33Å; V406-L424 HydrophobicContact CG1-CD2 3.85Å; V406-H427 WeakPolarHBondContact CG2-CE1 3.46Å; V406-H427 WeakPolarHBondContact CG2-ND1 3.37Å; V406-L429 HydrophobicContact CG2-CD1 4.3Å; V406-F430 HydrophobicContact CG1-CE2 4.23Å; V406-F430 HydrophobicContact CG1-CZ 4.19Å; V406-F563 HydrophobicContact CG2-CZ 4.07Å
407	I	94.9	Very high	88.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-43.4	176.5	-66.4	170.8	0	0	0	109.9	M363 L364 M395 V398 L403 E405 A409 C410 I411	M363-I407 HydrophobicContact CB-CD1 4.01Å; M363-I407 HydrophobicContact CB-CG1 3.92Å; M363-I407 HydrophobicContact CE-CG1 4.03Å; M363-I407 HydrophobicContact SD-CG1 4.45Å; L364-I407 HydrophobicContact CB-CD1 4.43Å; L364-I407 HydrophobicContact CD1-CD1 4.46Å; M395-I407 HydrophobicContact CE-CB 3.9Å; M395-I407 HydrophobicContact CE-CG2 3.69Å; M395-I407 HydrophobicContact SD-CB 4.22Å; M395-I407 HydrophobicContact SD-CG2 3.69Å; V398-I407 HydrophobicContact CG2-CD1 4.39Å; L403-I407 HydrophobicContact CD1-CD1 4.22Å; L403-I407 HydrophobicContact CD1-CG1 4.06Å; L403-I407 HydrophobicContact CD2-CD1 4.31Å; L403-I407 HydrophobicContact CG-CD1 3.91Å; L403-I407 HydrophobicContact CG-CG1 4.28Å; L403-I407 WeakPolarHBondContact O-CG1 3.29Å; L403-I407 PolarHBondContact O-N 3.28Å; E405-I407 PolarHBondContact O-N 3.27Å; I407-A409 VanDerWaalsContact C-N 3.29Å; I407-A409 PolarHBondContact O-N 3.06Å; I407-C410 PolarHBondContact O-N 2.94Å; I407-C410 VanDerWaalsContact O-N 3.14Å; I407-I411 HydrophobicContact CG2-CD1 4.33Å; I407-I411 HydrophobicContact CG2-CG2 4.36Å; I407-I411 WeakPolarHBondContact O-CG1 3.37Å; I407-I411 PolarHBondContact O-N 3Å
408	S	93.1	Very high	89	Confident	55 Å²	55	42.4 Å²	42.4	39%	0.385	25%	0.245	S	C	.	.	H	α-helix	trans	-65	-28.8	179	-166.7	0	0	0	0	113.6	R404 E405 V406 Q412	R404-S408 VanDerWaalsContact O-CB 3.23Å; R404-S408 WeakPolarHBondContact O-CB 3.35Å; R404-S408 PolarHBondContact O-N 2.94Å; E405-S408 PolarHBondContact O-N 3.28Å; V406-S408 VanDerWaalsContact C-N 3.3Å; V406-S408 PolarHBondContact O-N 3.15Å; S408-Q412 PolarHBondContact O-N 2.7Å; S408-Q412 PolarHBondContact O-NE2 3.32Å
409	A	93.4	Very high	89.4	Confident	21.5 Å²	21.5	42.5 Å²	42.5	18%	0.178	25%	0.246	C	C	.	.	H	α-helix	trans	-73.9	-41.8	172.3	0	0	0	0	0	111.3	E405 V406 I407 I411 Q412 P419 F563 V567	E405-A409 PolarHBondContact O-N 3.05Å; V406-A409 WeakPolarHBondContact O-CB 3.43Å; V406-A409 PolarHBondContact O-N 3.26Å; I407-A409 VanDerWaalsContact C-N 3.29Å; I407-A409 PolarHBondContact O-N 3.06Å; A409-I411 PolarHBondContact O-N 3.47Å; A409-Q412 WeakPolarHBondContact O-CB 3.43Å; A409-Q412 PolarHBondContact O-N 3.43Å; A409-P419 HydrophobicContact CB-CG 4.35Å; A409-P419 WeakPolarHBondContact O-CD 3.26Å; A409-F563 HydrophobicContact CB-CE2 3.9Å; A409-F563 HydrophobicContact CB-CZ 3.91Å; A409-V567 HydrophobicContact CB-CG2 3.71Å
410	C	95.5	Very high	90	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-41.3	176.9	-67	0	0	0	0	113	I356 Y357 M363 V406 I407 Q412 R418	I356-C410 HydrophobicContact CG2-CB 4.32Å; I356-C410 WeakPolarHBondContact O-CB 3.21Å; Y357-C410 WeakPolarHBondContact CA-O 3.21Å; M363-C410 HydrophobicContact CE-CB 4.47Å; V406-C410 PolarHBondContact O-N 3.07Å; V406-C410 PolarHBondContact O-SG 3.16Å; V406-C410 VanDerWaalsContact O-SG 3.33Å; I407-C410 PolarHBondContact O-N 2.94Å; I407-C410 VanDerWaalsContact O-N 3.14Å; C410-Q412 VanDerWaalsContact C-N 3.31Å; C410-Q412 PolarHBondContact O-N 2.98Å; C410-R418 WeakPolarHBondContact O-CD 3.38Å; C410-R418 WeakPolarHBondContact O-CG 3.35Å
411	I	93.1	Very high	90.6	Very high	17.5 Å²	17.5	35.4 Å²	35.4	9%	0.09	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	13.1	-176.1	74.3	179.7	0	0	0	114.1	Y357 M361 M395 I407 A409	Y357-I411 HydrophobicContact CD2-CB 4.12Å; Y357-I411 HydrophobicContact CD2-CG2 4.48Å; Y357-I411 HydrophobicContact CE2-CB 3.98Å; M361-I411 HydrophobicContact CE-CB 4.01Å; M361-I411 HydrophobicContact CE-CD1 4.29Å; M361-I411 HydrophobicContact CE-CG2 3.7Å; M361-I411 HydrophobicContact CG-CG2 4.27Å; M361-I411 HydrophobicContact SD-CG2 3.94Å; M395-I411 HydrophobicContact CE-CD1 4.46Å; I407-I411 HydrophobicContact CG2-CD1 4.33Å; I407-I411 HydrophobicContact CG2-CG2 4.36Å; I407-I411 WeakPolarHBondContact O-CG1 3.37Å; I407-I411 PolarHBondContact O-N 3Å; A409-I411 PolarHBondContact O-N 3.47Å
412	Q	89.2	Confident	90.9	Very high	38 Å²	38	34.1 Å²	34.1	18%	0.178	19%	0.188	C	C	.	.			trans	-58	133.5	179.7	-131.6	0.4	-22.7	0	0	111.2	S408 A409 C410 L414 F417 R418	S408-Q412 PolarHBondContact O-N 2.7Å; S408-Q412 PolarHBondContact O-NE2 3.32Å; A409-Q412 WeakPolarHBondContact O-CB 3.43Å; A409-Q412 PolarHBondContact O-N 3.43Å; C410-Q412 VanDerWaalsContact C-N 3.31Å; C410-Q412 PolarHBondContact O-N 2.98Å; Q412-L414 VanDerWaalsContact C-N 3.31Å; Q412-L414 PolarHBondContact O-N 3.15Å; Q412-F417 HydrophobicContact CB-CB 4.25Å; Q412-F417 HydrophobicContact CG-CB 3.88Å; Q412-R418 HydrophobicContact CB-CG 4.09Å; Q412-R418 PolarHBondContact O-NE 3.02Å; Q412-R418 PolarHBondContact O-NH2 2.98Å; Q412-R418 VanDerWaalsContact O-NH2 3.11Å
413	P	84	Confident	91.2	Very high	26.5 Å²	26.5	34.5 Å²	34.5	17%	0.172	18%	0.184	C	C	.	.	S	Bend	trans	-65.7	-37.4	-173	-21.7	33	0	0	0	113	P343 T415 R418 W573 W622	P343-P413 WeakPolarHBondContact CG-O 3.26Å; P413-T415 PolarHBondContact O-N 2.91Å; P413-R418 PolarHBondContact O-NH2 3.12Å; P413-W573 HydrophobicContact CB-CH2 4.06Å; P413-W573 HydrophobicContact CB-CZ3 4.21Å; P413-W573 HydrophobicContact CG-CH2 4.22Å; P413-W573 HydrophobicContact CG-CZ3 3.97Å; P413-W622 HydrophobicContact CB-CH2 3.45Å; P413-W622 VanDerWaalsContact CB-CH2 3.45Å; P413-W622 HydrophobicContact CB-CZ2 3.32Å; P413-W622 HydrophobicContact CB-CZ3 4.35Å; P413-W622 HydrophobicContact CG-CZ2 4.23Å
414	L	82.8	Confident	91.3	Very high	55.5 Å²	55.5	34.6 Å²	34.6	29%	0.291	19%	0.185	S	C	.	.	S	Bend	trans	-83.7	118	174.5	-66.8	179.4	0	0	0	111.3	Q412 C416 F417 W573 W622 K626	Q412-L414 VanDerWaalsContact C-N 3.31Å; Q412-L414 PolarHBondContact O-N 3.15Å; L414-C416 VanDerWaalsContact C-N 3.26Å; L414-C416 PolarHBondContact O-N 3.16Å; L414-C416 VanDerWaalsContact O-N 3.13Å; L414-F417 HydrophobicContact CB-CD2 3.88Å; L414-F417 HydrophobicContact CB-CE2 4.4Å; L414-F417 HydrophobicContact CD1-CD2 4.16Å; L414-F417 HydrophobicContact CD1-CE2 3.88Å; L414-F417 PolarHBondContact O-N 3.28Å; L414-W573 HydrophobicContact CD1-CD2 3.78Å; L414-W573 HydrophobicContact CD1-CE3 4.48Å; L414-W573 HydrophobicContact CD1-CG 4.05Å; L414-W573 HydrophobicContact CD1-CH2 4.48Å; L414-W573 HydrophobicContact CD1-CZ2 3.79Å; L414-W573 HydrophobicContact CD2-CZ2 4.29Å; L414-W573 HydrophobicContact CG-CD2 4.31Å; L414-W573 HydrophobicContact CG-CH2 4.08Å; L414-W573 HydrophobicContact CG-CZ2 3.76Å; L414-W573 HydrophobicContact CG-CZ3 4.48Å; L414-W622 HydrophobicContact CD2-CE3 4.36Å; L414-K626 HydrophobicContact CD1-CB 4.35Å; L414-K626 HydrophobicContact CD1-CD 4.23Å; L414-K626 HydrophobicContact CD1-CG 4.48Å
415	T	87.3	Confident	91.4	Very high	34 Å²	34	31 Å²	31	21%	0.209	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-49.1	-41.1	-179.1	3.1	0	0	0	0	114.1	E344 K353 P413 F417 R418	E344-T415 HydrophobicContact CB-CG2 4.27Å; E344-T415 HydrophobicContact CG-CG2 3.58Å; E344-T415 WeakPolarHBondContact OE1-CG2 3.43Å; K353-T415 HydrophobicContact CB-CG2 4.02Å; P413-T415 PolarHBondContact O-N 2.91Å; T415-F417 PolarHBondContact O-N 3.04Å; T415-F417 VanDerWaalsContact O-N 3.17Å; T415-R418 WeakPolarHBondContact O-CB 3.38Å; T415-R418 PolarHBondContact O-N 2.94Å; T415-R418 VanDerWaalsContact O-N 3.12Å
416	C	85.1	Confident	91.2	Very high	80 Å²	80	30.8 Å²	30.8	54%	0.541	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-65.7	-15.6	-178.5	58.1	0	0	0	0	114.8	L414	L414-C416 VanDerWaalsContact C-N 3.26Å; L414-C416 PolarHBondContact O-N 3.16Å; L414-C416 VanDerWaalsContact O-N 3.13Å
417	F	88.6	Confident	90.9	Very high	49.5 Å²	49.5	32.5 Å²	32.5	22%	0.217	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-99.8	-3.9	175	-64.6	-64.1	0	0	0	113.4	Q412 L414 T415 L569 W573 L629	Q412-F417 HydrophobicContact CB-CB 4.25Å; Q412-F417 HydrophobicContact CG-CB 3.88Å; L414-F417 HydrophobicContact CB-CD2 3.88Å; L414-F417 HydrophobicContact CB-CE2 4.4Å; L414-F417 HydrophobicContact CD1-CD2 4.16Å; L414-F417 HydrophobicContact CD1-CE2 3.88Å; L414-F417 PolarHBondContact O-N 3.28Å; T415-F417 PolarHBondContact O-N 3.04Å; T415-F417 VanDerWaalsContact O-N 3.17Å; F417-L569 HydrophobicContact CD1-CB 3.87Å; F417-L569 HydrophobicContact CE1-CB 3.5Å; F417-L569 VanDerWaalsContact CE1-CB 3.5Å; F417-L569 HydrophobicContact CE1-CD1 4.19Å; F417-L569 HydrophobicContact CE1-CG 4.48Å; F417-L569 HydrophobicContact CZ-CB 4.07Å; F417-W573 HydrophobicContact CD2-CB 4.28Å; F417-W573 HydrophobicContact CE2-CB 3.64Å; F417-W573 HydrophobicContact CE2-CD2 4.49Å; F417-W573 AromaticContact CE2-CG 3.87Å; F417-W573 HydrophobicContact CE2-CG 3.87Å; F417-W573 HydrophobicContact CZ-CB 4.45Å; F417-L629 HydrophobicContact CE2-CD2 4.27Å; F417-L629 HydrophobicContact CZ-CD2 3.78Å
418	R	93.4	Very high	90.3	Very high	2.5 Å²	2.5	34.9 Å²	34.9	1%	0.009	19%	0.193	C	C	.	.	S	Bend	trans	-78.2	140.1	170.8	-61.7	-178	-159.8	140.7	19.4	109.9	E344 K353 I356 C410 Q412 P413 T415	E344-R418 IonicContact OE1-CZ 3.23Å; E344-R418 IonicContact OE1-NH1 2.77Å; E344-R418 PolarHBondContact OE1-NH1 3.47Å; E344-R418 IonicContact OE1-NH2 2.74Å; E344-R418 IonicContact OE2-CZ 3.57Å; E344-R418 IonicContact OE2-NH1 3.79Å; E344-R418 PolarHBondContact OE2-NH1 3.03Å; E344-R418 IonicContact OE2-NH2 2.91Å; E344-R418 PolarHBondContact OE2-NH2 2.76Å; K353-R418 HydrophobicContact CD-CB 4.21Å; K353-R418 PolarHBondContact NZ-O 2.87Å; K353-R418 PolarHBondContact O-NH1 3.15Å; I356-R418 HydrophobicContact CG2-CB 4.31Å; C410-R418 WeakPolarHBondContact O-CD 3.38Å; C410-R418 WeakPolarHBondContact O-CG 3.35Å; Q412-R418 HydrophobicContact CB-CG 4.09Å; Q412-R418 PolarHBondContact O-NE 3.02Å; Q412-R418 PolarHBondContact O-NH2 2.98Å; Q412-R418 VanDerWaalsContact O-NH2 3.11Å; P413-R418 PolarHBondContact O-NH2 3.12Å; T415-R418 WeakPolarHBondContact O-CB 3.38Å; T415-R418 PolarHBondContact O-N 2.94Å; T415-R418 VanDerWaalsContact O-N 3.12Å
419	P	94.3	Very high	89.9	Confident	12 Å²	12	33.3 Å²	33.3	8%	0.078	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-66.2	167	175.7	29	-35.1	0	0	0	112	K353 I356 A409 E423 L424 F563	K353-P419 PolarHBondContact NZ-O 3.11Å; I356-P419 HydrophobicContact CG2-CG 4.27Å; A409-P419 HydrophobicContact CB-CG 4.35Å; A409-P419 WeakPolarHBondContact O-CD 3.26Å; P419-E423 WeakPolarHBondContact CA-OE2 3.46Å; P419-E423 HydrophobicContact CB-CB 4.16Å; P419-E423 WeakPolarHBondContact CB-OE2 3.5Å; P419-L424 HydrophobicContact CB-CD2 4.29Å; P419-L424 HydrophobicContact CB-CG 4.02Å; P419-L424 HydrophobicContact CG-CD1 3.98Å; P419-L424 HydrophobicContact CG-CD2 3.68Å; P419-L424 HydrophobicContact CG-CG 3.67Å; P419-F563 HydrophobicContact CB-CD2 3.75Å; P419-F563 HydrophobicContact CB-CE2 4.22Å; P419-F563 HydrophobicContact CG-CD2 4.15Å; P419-F563 HydrophobicContact CG-CE2 4.09Å
420	T	94.2	Very high	89.5	Confident	26.5 Å²	26.5	32.4 Å²	32.4	16%	0.163	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-83.9	164.5	166.9	60.3	0	0	0	0	111.2	D422 E423 L424	T420-D422 PolarHBondContact O-N 3.38Å; T420-E423 VanDerWaalsContact CB-OE2 3.3Å; T420-E423 WeakPolarHBondContact CB-OE2 3.44Å; T420-E423 WeakPolarHBondContact CG2-OE1 3.48Å; T420-E423 WeakPolarHBondContact CG2-OE2 3.35Å; T420-E423 PolarHBondContact N-OE2 3.06Å; T420-E423 PolarHBondContact O-N 3.14Å; T420-E423 WeakPolarHBondContact OG1-CB 3.35Å; T420-E423 VanDerWaalsContact OG1-CG 3.31Å; T420-E423 WeakPolarHBondContact OG1-CG 3.23Å; T420-E423 PolarHBondContact OG1-N 3.12Å; T420-E423 VanDerWaalsContact OG1-N 3.12Å; T420-E423 PolarHBondContact OG1-OE1 3.32Å; T420-E423 PolarHBondContact OG1-OE2 3.04Å; T420-L424 PolarHBondContact O-N 3.14Å; T420-L424 VanDerWaalsContact O-N 3.08Å
421	A	94.6	Very high	88.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-28.8	172.2	0	0	0	0	0	112.4	L281 R282 I356 Y425	L281-A421 HydrophobicContact CB-CB 3.97Å; R282-A421 HydrophobicContact CB-CB 4.47Å; R282-A421 WeakPolarHBondContact CD-O 3.42Å; R282-A421 VanDerWaalsContact CG-C 3.45Å; R282-A421 HydrophobicContact CG-CB 3.55Å; R282-A421 WeakPolarHBondContact CG-O 3.29Å; I356-A421 HydrophobicContact CD1-CB 3.97Å; A421-Y425 VanDerWaalsContact O-CB 3.3Å; A421-Y425 WeakPolarHBondContact O-CB 3.32Å; A421-Y425 PolarHBondContact O-N 3.29Å; A421-Y425 VanDerWaalsContact O-N 3.15Å
422	D	91.9	Very high	86.7	Confident	47.5 Å²	47.5	42.2 Å²	42.2	25%	0.254	22%	0.215	S	C	.	.	H	α-helix	trans	-73.8	-45.4	176.2	-126.1	65.5	0	0	0	111.7	R282 H286 T420 L424 Y425 F426 L559	R282-D422 WeakPolarHBondContact CG-OD1 3.39Å; R282-D422 IonicContact CZ-OD1 2.71Å; R282-D422 IonicContact CZ-OD2 3.63Å; R282-D422 IonicContact NE-OD1 3.42Å; R282-D422 PolarHBondContact NE-OD1 3.46Å; R282-D422 IonicContact NE-OD2 2.71Å; R282-D422 PolarHBondContact NE-OD2 3.01Å; R282-D422 IonicContact NH2-OD1 2.66Å; R282-D422 IonicContact NH2-OD2 2.68Å; R282-D422 PolarHBondContact NH2-OD2 2.89Å; H286-D422 IonicContact CE1-OD1 3.57Å; H286-D422 PolarHBondContact CE1-OD1 3.02Å; H286-D422 IonicContact CG-OD1 3.85Å; H286-D422 IonicContact ND1-OD1 2.68Å; H286-D422 PolarHBondContact ND1-OD1 2.81Å; T420-D422 PolarHBondContact O-N 3.38Å; D422-L424 VanDerWaalsContact C-N 3.32Å; D422-L424 PolarHBondContact O-N 3.09Å; D422-Y425 PolarHBondContact O-N 2.95Å; D422-F426 VanDerWaalsContact O-CD2 3.24Å; D422-F426 WeakPolarHBondContact O-CD2 3.37Å; D422-F426 PolarHBondContact O-N 3.15Å; D422-F426 VanDerWaalsContact O-N 3.1Å; D422-L559 HydrophobicContact CB-CD2 4.26Å
423	E	92.2	Very high	84.9	Confident	61 Å²	61	43.9 Å²	43.9	29%	0.285	22%	0.22	S	C	.	.	H	α-helix	trans	-59.3	-41.1	174.5	-71.8	159.8	167.3	0	0	112.1	P419 T420 F426 H427 L559 Q562 K566	P419-E423 WeakPolarHBondContact CA-OE2 3.46Å; P419-E423 HydrophobicContact CB-CB 4.16Å; P419-E423 WeakPolarHBondContact CB-OE2 3.5Å; T420-E423 VanDerWaalsContact CB-OE2 3.3Å; T420-E423 WeakPolarHBondContact CB-OE2 3.44Å; T420-E423 WeakPolarHBondContact CG2-OE1 3.48Å; T420-E423 WeakPolarHBondContact CG2-OE2 3.35Å; T420-E423 PolarHBondContact N-OE2 3.06Å; T420-E423 PolarHBondContact O-N 3.14Å; T420-E423 WeakPolarHBondContact OG1-CB 3.35Å; T420-E423 VanDerWaalsContact OG1-CG 3.31Å; T420-E423 WeakPolarHBondContact OG1-CG 3.23Å; T420-E423 PolarHBondContact OG1-N 3.12Å; T420-E423 VanDerWaalsContact OG1-N 3.12Å; T420-E423 PolarHBondContact OG1-OE1 3.32Å; T420-E423 PolarHBondContact OG1-OE2 3.04Å; E423-F426 CarbonylContact O-C 2.96Å; E423-H427 PolarHBondContact O-N 2.8Å; E423-H427 VanDerWaalsContact O-N 3.11Å; E423-L559 HydrophobicContact CG-CB 4.4Å; E423-L559 HydrophobicContact CG-CD2 3.7Å; E423-Q562 HydrophobicContact CG-CB 4.25Å; E423-K566 IonicContact OE1-NZ 2.65Å; E423-K566 PolarHBondContact OE1-NZ 3.45Å; E423-K566 WeakPolarHBondContact OE2-CD 3.47Å; E423-K566 IonicContact OE2-NZ 3.32Å; E423-K566 PolarHBondContact OE2-NZ 3.36Å
424	L	93.7	Very high	83.2	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-43.3	175.6	-75.5	174.2	0	0	0	112.8	L278 I356 F359 V406 P419 T420 D422 F426 H427 F430 F563	L278-L424 HydrophobicContact CD1-CB 3.89Å; L278-L424 HydrophobicContact CD2-CB 3.55Å; L278-L424 HydrophobicContact CD2-CD1 3.83Å; L278-L424 HydrophobicContact CD2-CG 4.36Å; L278-L424 HydrophobicContact CG-CB 4.38Å; I356-L424 HydrophobicContact CD1-CD1 4.31Å; I356-L424 HydrophobicContact CG2-CD1 3.95Å; F359-L424 HydrophobicContact CD1-CD1 3.99Å; F359-L424 HydrophobicContact CE1-CD1 4.12Å; V406-L424 HydrophobicContact CG1-CD2 3.85Å; P419-L424 HydrophobicContact CB-CD2 4.29Å; P419-L424 HydrophobicContact CB-CG 4.02Å; P419-L424 HydrophobicContact CG-CD1 3.98Å; P419-L424 HydrophobicContact CG-CD2 3.68Å; P419-L424 HydrophobicContact CG-CG 3.67Å; T420-L424 PolarHBondContact O-N 3.14Å; T420-L424 VanDerWaalsContact O-N 3.08Å; D422-L424 VanDerWaalsContact C-N 3.32Å; D422-L424 PolarHBondContact O-N 3.09Å; L424-F426 VanDerWaalsContact C-N 3.3Å; L424-F426 PolarHBondContact O-N 3.13Å; L424-H427 VanDerWaalsContact O-CB 3.22Å; L424-H427 WeakPolarHBondContact O-CB 3.36Å; L424-H427 PolarHBondContact O-N 3.42Å; L424-F430 WeakPolarHBondContact O-CD2 3.42Å; L424-F563 HydrophobicContact CD2-CD2 4.48Å; L424-F563 HydrophobicContact CD2-CE2 3.98Å
425	Y	92.4	Very high	81.1	Confident	41 Å²	41	50.4 Å²	50.4	16%	0.161	25%	0.247	C	C	.	.	H	α-helix	trans	-62.1	-39.5	179.4	-177.3	-83.3	0	0	0	112.1	H275 L278 D279 R282 A421 D422 H427	H275-Y425 AromaticContact CD2-CD2 3.86Å; H275-Y425 AromaticContact CD2-CE2 3.93Å; H275-Y425 AromaticContact CE1-CE2 3.62Å; H275-Y425 AromaticContact CE1-CZ 3.53Å; H275-Y425 AromaticContact NE2-CD1 3.91Å; H275-Y425 AromaticContact NE2-CD2 3.7Å; H275-Y425 AromaticContact NE2-CE1 3.63Å; H275-Y425 AromaticContact NE2-CE2 3.42Å; H275-Y425 WeakPolarHBondContact NE2-CE2 3.33Å; H275-Y425 AromaticContact NE2-CG 3.94Å; H275-Y425 AromaticContact NE2-CZ 3.38Å; L278-Y425 HydrophobicContact CB-CD2 4.2Å; D279-Y425 HydrophobicContact CB-CD2 4.27Å; D279-Y425 HydrophobicContact CB-CE2 3.78Å; D279-Y425 WeakPolarHBondContact OD1-CE2 3.48Å; R282-Y425 VanDerWaalsContact NH1-CD1 3.3Å; R282-Y425 VanDerWaalsContact NH1-CE1 3.28Å; A421-Y425 VanDerWaalsContact O-CB 3.3Å; A421-Y425 WeakPolarHBondContact O-CB 3.32Å; A421-Y425 PolarHBondContact O-N 3.29Å; A421-Y425 VanDerWaalsContact O-N 3.15Å; D422-Y425 PolarHBondContact O-N 2.95Å; Y425-H427 VanDerWaalsContact C-N 3.28Å; Y425-H427 PolarHBondContact O-N 3.25Å
426	F	88	Confident	78.9	Confident	71.5 Å²	71.5	52.8 Å²	52.8	31%	0.314	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	8.9	175.2	-67.5	-68.1	0	0	0	114.1	D422 E423 L424 Q431 T443 L559 Q560	D422-F426 VanDerWaalsContact O-CD2 3.24Å; D422-F426 WeakPolarHBondContact O-CD2 3.37Å; D422-F426 PolarHBondContact O-N 3.15Å; D422-F426 VanDerWaalsContact O-N 3.1Å; E423-F426 CarbonylContact O-C 2.96Å; L424-F426 VanDerWaalsContact C-N 3.3Å; L424-F426 PolarHBondContact O-N 3.13Å; F426-Q431 VanDerWaalsContact O-CG 3.31Å; F426-Q431 WeakPolarHBondContact O-CG 3.38Å; F426-Q431 PolarHBondContact O-NE2 3.34Å; F426-Q431 VanDerWaalsContact O-NE2 3.15Å; F426-T443 HydrophobicContact CB-CG2 4.19Å; F426-T443 HydrophobicContact CD1-CG2 3.74Å; F426-T443 HydrophobicContact CG-CG2 4.45Å; F426-L559 HydrophobicContact CB-CB 4.39Å; F426-L559 HydrophobicContact CB-CD1 3.87Å; F426-L559 HydrophobicContact CD2-CD1 3.35Å; F426-L559 HydrophobicContact CE2-CD1 4.07Å; F426-L559 HydrophobicContact CG-CD1 3.84Å; F426-Q560 PolarHBondContact O-NE2 3.06Å
427	H	87.8	Confident	76.6	Confident	40.5 Å²	40.5	54.4 Å²	54.4	19%	0.188	28%	0.281	C	S	.	.	S	Bend	trans	-74.3	138.6	176.5	-175.2	-101.8	0	0	0	111.6	V406 E423 L424 Y425 L429 F430 Q431 F563	V406-H427 WeakPolarHBondContact CG2-CE1 3.46Å; V406-H427 WeakPolarHBondContact CG2-ND1 3.37Å; E423-H427 PolarHBondContact O-N 2.8Å; E423-H427 VanDerWaalsContact O-N 3.11Å; L424-H427 VanDerWaalsContact O-CB 3.22Å; L424-H427 WeakPolarHBondContact O-CB 3.36Å; L424-H427 PolarHBondContact O-N 3.42Å; Y425-H427 VanDerWaalsContact C-N 3.28Å; Y425-H427 PolarHBondContact O-N 3.25Å; H427-L429 WeakPolarHBondContact ND1-CB 3.26Å; H427-L429 PolarHBondContact ND1-N 3.38Å; H427-L429 PolarHBondContact O-N 2.81Å; H427-F430 HydrophobicContact CB-CD2 4.11Å; H427-F430 HydrophobicContact CB-CE2 4.37Å; H427-F430 PolarHBondContact O-N 3.14Å; H427-Q431 PolarHBondContact O-N 3.27Å; H427-Q431 VanDerWaalsContact O-N 3.12Å; H427-F563 AromaticContact CD2-CD1 3.97Å; H427-F563 AromaticContact CD2-CE1 3.86Å; H427-F563 AromaticContact NE2-CE1 3.71Å; H427-F563 AromaticContact NE2-CZ 3.98Å
428	P	82.6	Confident	74.1	Confident	50.5 Å²	50.5	59.1 Å²	59.1	33%	0.328	31%	0.309	S	S	.	.	H	α-helix	trans	-58.2	-22.1	-173.3	-29.2	36.9	0	0	0	116.1	F430 P445	P428-F430 VanDerWaalsContact C-N 3.27Å; P428-F430 PolarHBondContact O-N 3.17Å; P428-P445 HydrophobicContact CB-CB 4.41Å; P428-P445 HydrophobicContact CG-CB 4.2Å
429	L	83.7	Confident	71.3	Confident	20.5 Å²	20.5	62.5 Å²	62.5	11%	0.107	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-35.3	175.6	-171.6	144.7	0	0	0	112.2	T271 L403 V406 H427	T271-L429 HydrophobicContact CG2-CD2 4.34Å; T271-L429 VanDerWaalsContact CG2-O 3.31Å; T271-L429 WeakPolarHBondContact CG2-O 3Å; L403-L429 HydrophobicContact CB-CD1 4.09Å; L403-L429 HydrophobicContact CD1-CD1 4.19Å; L403-L429 HydrophobicContact CD1-CD2 4.38Å; V406-L429 HydrophobicContact CG2-CD1 4.3Å; H427-L429 WeakPolarHBondContact ND1-CB 3.26Å; H427-L429 PolarHBondContact ND1-N 3.38Å; H427-L429 PolarHBondContact O-N 2.81Å
430	F	84.8	Confident	68.6	Low	2 Å²	2	68 Å²	68	1%	0.009	35%	0.352	C	S	.	.	H	α-helix	trans	-97.9	-15.3	-176	-50.6	-82.2	0	0	0	114	T271 W274 H275 L278 F359 M363 V406 L424 H427 P428 K432 Y433	T271-F430 HydrophobicContact CG2-CD1 4.18Å; W274-F430 HydrophobicContact CB-CD1 4Å; W274-F430 HydrophobicContact CB-CE1 3.65Å; W274-F430 HydrophobicContact CD2-CE1 4.44Å; W274-F430 AromaticContact CE3-CE1 3.95Å; W274-F430 HydrophobicContact CE3-CE1 3.95Å; W274-F430 HydrophobicContact CG-CE1 4.4Å; H275-F430 HydrophobicContact CB-CB 4.17Å; L278-F430 HydrophobicContact CD1-CD1 4.25Å; L278-F430 HydrophobicContact CD1-CD2 3.97Å; L278-F430 HydrophobicContact CD1-CE1 4.17Å; L278-F430 HydrophobicContact CD1-CE2 3.87Å; L278-F430 HydrophobicContact CD1-CG 4.16Å; L278-F430 HydrophobicContact CD1-CZ 3.97Å; F359-F430 HydrophobicContact CE1-CZ 4.34Å; F359-F430 HydrophobicContact CZ-CE1 4.44Å; F359-F430 HydrophobicContact CZ-CZ 4.36Å; M363-F430 HydrophobicContact SD-CE1 4.25Å; M363-F430 HydrophobicContact SD-CZ 3.93Å; V406-F430 HydrophobicContact CG1-CE2 4.23Å; V406-F430 HydrophobicContact CG1-CZ 4.19Å; L424-F430 WeakPolarHBondContact O-CD2 3.42Å; H427-F430 HydrophobicContact CB-CD2 4.11Å; H427-F430 HydrophobicContact CB-CE2 4.37Å; H427-F430 PolarHBondContact O-N 3.14Å; P428-F430 VanDerWaalsContact C-N 3.27Å; P428-F430 PolarHBondContact O-N 3.17Å; F430-K432 PolarHBondContact O-N 3.14Å; F430-K432 VanDerWaalsContact O-N 3.13Å; F430-Y433 WeakPolarHBondContact O-CD2 3.42Å
431	Q	69.2	Low	65.9	Low	53 Å²	53	69 Å²	69	25%	0.248	36%	0.359	C	S	.	.	H	α-helix	trans	-82.5	-11.4	-175.7	-74.6	-177	22.4	0	0	115.4	F426 H427 Y433 Q434 P441 T443	F426-Q431 VanDerWaalsContact O-CG 3.31Å; F426-Q431 WeakPolarHBondContact O-CG 3.38Å; F426-Q431 PolarHBondContact O-NE2 3.34Å; F426-Q431 VanDerWaalsContact O-NE2 3.15Å; H427-Q431 PolarHBondContact O-N 3.27Å; H427-Q431 VanDerWaalsContact O-N 3.12Å; Q431-Y433 PolarHBondContact O-N 2.97Å; Q431-Q434 PolarHBondContact O-N 3.38Å; Q431-Q434 VanDerWaalsContact O-N 3.14Å; Q431-P441 HydrophobicContact CB-CB 3.59Å; Q431-T443 VanDerWaalsContact CD-OG1 3.28Å; Q431-T443 PolarHBondContact NE2-OG1 2.83Å; Q431-T443 PolarHBondContact OE1-OG1 2.87Å
432	K	60.3	Low	63.7	Low	170.5 Å²	170.5	74.9 Å²	74.9	74%	0.741	39%	0.385	S	S	*	.	S	Bend	trans	-65.7	10.3	179.1	-69.1	-171.3	175.9	-175.6	0	114.8	F430	F430-K432 PolarHBondContact O-N 3.14Å; F430-K432 VanDerWaalsContact O-N 3.13Å
433	Y	52.6	Low	61.6	Low	73.5 Å²	73.5	73.1 Å²	73.1	29%	0.288	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	47.5	-175.6	-101.2	-89.1	0	0	0	113.1	P268 R272 F430 Q431 E435 W440	P268-Y433 HydrophobicContact CB-CD2 3.41Å; P268-Y433 VanDerWaalsContact CB-CD2 3.41Å; P268-Y433 HydrophobicContact CB-CE1 4.49Å; P268-Y433 HydrophobicContact CB-CE2 3.34Å; P268-Y433 HydrophobicContact CB-CG 4.02Å; P268-Y433 HydrophobicContact CG-CD2 4.45Å; P268-Y433 HydrophobicContact CG-CE2 4.31Å; R272-Y433 HydrophobicContact CB-CD1 3.98Å; R272-Y433 HydrophobicContact CB-CE1 4.3Å; R272-Y433 HydrophobicContact CG-CD1 4.46Å; F430-Y433 WeakPolarHBondContact O-CD2 3.42Å; Q431-Y433 PolarHBondContact O-N 2.97Å; Y433-E435 HydrophobicContact CD1-CG 4.47Å; Y433-E435 HydrophobicContact CE1-CG 3.9Å; Y433-E435 WeakPolarHBondContact CE1-OE1 3.29Å; Y433-E435 WeakPolarHBondContact CE1-OE2 3.18Å; Y433-E435 HydrophobicContact CE2-CG 4.04Å; Y433-E435 PolarHBondContact OH-OE1 2.85Å; Y433-W440 HydrophobicContact CD1-CH2 4.22Å; Y433-W440 AromaticContact CD1-CZ2 3.72Å; Y433-W440 HydrophobicContact CD1-CZ2 3.72Å; Y433-W440 AromaticContact CE1-CH2 3.92Å; Y433-W440 HydrophobicContact CE1-CH2 3.92Å; Y433-W440 AromaticContact CE1-CZ2 3.85Å; Y433-W440 HydrophobicContact CE1-CZ2 3.85Å
434	Q	47.6	Very low	59.8	Low	102.5 Å²	102.5	71 Å²	71	48%	0.479	37%	0.366	S	S	.	.			trans	-105.3	45.2	165.4	-61.1	-141.7	-43	0	0	109.9	Q431	Q431-Q434 PolarHBondContact O-N 3.38Å; Q431-Q434 VanDerWaalsContact O-N 3.14Å
435	E	38.9	Very low	57.9	Low	117 Å²	117	73.8 Å²	73.8	55%	0.547	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	132.2	178.9	-69.9	163.2	148.5	0	0	111.4	R272 Y312 Y433 N437	R272-E435 IonicContact CZ-OE2 2.69Å; R272-E435 IonicContact NH1-OE2 3.38Å; R272-E435 PolarHBondContact NH1-OE2 3.07Å; Y312-E435 WeakPolarHBondContact CE1-OE1 3.48Å; Y312-E435 WeakPolarHBondContact CE1-OE2 3.49Å; Y433-E435 HydrophobicContact CD1-CG 4.47Å; Y433-E435 HydrophobicContact CE1-CG 3.9Å; Y433-E435 WeakPolarHBondContact CE1-OE1 3.29Å; Y433-E435 WeakPolarHBondContact CE1-OE2 3.18Å; Y433-E435 HydrophobicContact CE2-CG 4.04Å; Y433-E435 PolarHBondContact OH-OE1 2.85Å; E435-N437 VanDerWaalsContact C-N 3.25Å; E435-N437 PolarHBondContact O-N 2.94Å; E435-N437 VanDerWaalsContact O-N 3.16Å
436	G	41.7	Very low	56.4	Low	84.5 Å²	84.5	72.5 Å²	72.5	87%	0.871	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	1.8	25	-178.3	0	0	0	0	0	115.5
437	N	35.9	Very low	55	Low	113.5 Å²	113.5	71.7 Å²	71.7	61%	0.607	38%	0.378	S	S	*	.			trans	-110.7	118.8	169.7	-90.3	-52.4	0	0	0	110.4	E435 S439	E435-N437 VanDerWaalsContact C-N 3.25Å; E435-N437 PolarHBondContact O-N 2.94Å; E435-N437 VanDerWaalsContact O-N 3.16Å; N437-S439 WeakPolarHBondContact CB-OG 3.45Å; N437-S439 PolarHBondContact O-N 3.09Å
438	D	37.1	Very low	53.8	Low	147.5 Å²	147.5	71.3 Å²	71.3	79%	0.789	38%	0.378	S	S	*	.			trans	-69.8	22.5	172.4	-62.9	-45.1	0	0	0	113.7	W440 K442	D438-W440 VanDerWaalsContact O-CD1 3.26Å; D438-W440 PolarHBondContact O-N 2.8Å; D438-W440 VanDerWaalsContact O-N 3.13Å; D438-K442 PolarHBondContact O-NZ 3.45Å
439	S	34	Very low	52.6	Low	74 Å²	74	71.3 Å²	71.3	52%	0.517	37%	0.374	S	S	.	.			trans	-79.2	65.9	177.7	68.4	0	0	0	0	111.2	N437	N437-S439 WeakPolarHBondContact CB-OG 3.45Å; N437-S439 PolarHBondContact O-N 3.09Å
440	W	37.8	Very low	51.2	Low	128.5 Å²	128.5	72.6 Å²	72.6	49%	0.487	38%	0.383	S	S	.	.			trans	-55.8	146.9	167.3	-73.2	82.4	0	0	0	111.4	Y433 D438 K442	Y433-W440 HydrophobicContact CD1-CH2 4.22Å; Y433-W440 AromaticContact CD1-CZ2 3.72Å; Y433-W440 HydrophobicContact CD1-CZ2 3.72Å; Y433-W440 AromaticContact CE1-CH2 3.92Å; Y433-W440 HydrophobicContact CE1-CH2 3.92Å; Y433-W440 AromaticContact CE1-CZ2 3.85Å; Y433-W440 HydrophobicContact CE1-CZ2 3.85Å; D438-W440 VanDerWaalsContact O-CD1 3.26Å; D438-W440 PolarHBondContact O-N 2.8Å; D438-W440 VanDerWaalsContact O-N 3.13Å; W440-K442 VanDerWaalsContact O-CG 3.31Å; W440-K442 WeakPolarHBondContact O-CG 3.42Å; W440-K442 PolarHBondContact O-N 2.93Å
441	P	38.1	Very low	49.8	Very low	47 Å²	47	75.2 Å²	75.2	31%	0.305	40%	0.397	S	S	.	.			trans	-59.7	113.2	178.4	23.9	-34.1	0	0	0	110.9	Q431 T443 L559	Q431-P441 HydrophobicContact CB-CB 3.59Å; P441-T443 WeakPolarHBondContact O-CG2 3.46Å; P441-T443 PolarHBondContact O-N 3.08Å; P441-T443 VanDerWaalsContact O-N 3.16Å; P441-T443 PolarHBondContact O-OG1 3.04Å; P441-L559 HydrophobicContact CB-CD2 4.42Å
442	K	47.6	Very low	49.3	Very low	123 Å²	123	76.1 Å²	76.1	54%	0.535	40%	0.399	S	S	.	.	S	Bend	trans	-58.8	60.5	-177	-59.4	176.9	179.1	-139.2	0	112	D438 W440	D438-K442 PolarHBondContact O-NZ 3.45Å; W440-K442 VanDerWaalsContact O-CG 3.31Å; W440-K442 WeakPolarHBondContact O-CG 3.42Å; W440-K442 PolarHBondContact O-N 2.93Å
443	T	48.5	Very low	49.1	Very low	10 Å²	10	74.9 Å²	74.9	6%	0.061	40%	0.401	C	S	.	.	S	Bend	trans	-138.1	112.1	-178.9	54.4	0	0	0	0	109.3	F426 Q431 P441 S556 L559	F426-T443 HydrophobicContact CB-CG2 4.19Å; F426-T443 HydrophobicContact CD1-CG2 3.74Å; F426-T443 HydrophobicContact CG-CG2 4.45Å; Q431-T443 VanDerWaalsContact CD-OG1 3.28Å; Q431-T443 PolarHBondContact NE2-OG1 2.83Å; Q431-T443 PolarHBondContact OE1-OG1 2.87Å; P441-T443 WeakPolarHBondContact O-CG2 3.46Å; P441-T443 PolarHBondContact O-N 3.08Å; P441-T443 VanDerWaalsContact O-N 3.16Å; P441-T443 PolarHBondContact O-OG1 3.04Å; T443-S556 VanDerWaalsContact C-OG 3.28Å; T443-S556 VanDerWaalsContact CA-OG 3.32Å; T443-S556 WeakPolarHBondContact CA-OG 3.33Å; T443-S556 WeakPolarHBondContact CB-OG 3.41Å; T443-S556 WeakPolarHBondContact CG2-OG 3.38Å; T443-L559 HydrophobicContact CG2-CB 3.87Å; T443-L559 HydrophobicContact CG2-CD2 3.55Å; T443-L559 HydrophobicContact CG2-CG 4.34Å
444	L	52.7	Low	49.5	Very low	16.5 Å²	16.5	77.8 Å²	77.8	9%	0.086	42%	0.421	C	S	.	.			trans	-50	135.2	166.6	-67.5	170.1	0	0	0	110.3	V446 F485 D487 M490 L502 L553 S556 I557 Q560	L444-V446 PolarHBondContact O-N 3.16Å; L444-F485 HydrophobicContact CB-CB 3.99Å; L444-F485 HydrophobicContact CB-CD1 3.79Å; L444-F485 HydrophobicContact CB-CE1 4.4Å; L444-F485 HydrophobicContact CB-CG 4.4Å; L444-F485 HydrophobicContact CD1-CB 3.72Å; L444-F485 HydrophobicContact CD1-CD1 4.25Å; L444-F485 HydrophobicContact CD1-CG 4.39Å; L444-F485 HydrophobicContact CD2-CB 3.96Å; L444-F485 HydrophobicContact CG-CB 4.13Å; L444-D487 HydrophobicContact CD2-CB 3.24Å; L444-D487 VanDerWaalsContact CD2-OD2 3.29Å; L444-D487 WeakPolarHBondContact CD2-OD2 3.49Å; L444-D487 HydrophobicContact CG-CB 3.99Å; L444-M490 HydrophobicContact CD1-SD 3.99Å; L444-L502 HydrophobicContact CD1-CD1 4Å; L444-L553 HydrophobicContact CD1-CD1 3.68Å; L444-L553 HydrophobicContact CG-CD1 4.16Å; L444-S556 PolarHBondContact N-OG 3.28Å; L444-S556 VanDerWaalsContact N-OG 3.14Å; L444-S556 PolarHBondContact O-OG 3.36Å; L444-I557 HydrophobicContact CD1-CD1 4.32Å; L444-I557 HydrophobicContact CD1-CG1 4.39Å; L444-Q560 VanDerWaalsContact O-CD 3.27Å; L444-Q560 PolarHBondContact O-NE2 2.98Å; L444-Q560 PolarHBondContact O-OE1 3.32Å; L444-Q560 VanDerWaalsContact O-OE1 3.08Å
445	P	53.7	Low	49.9	Very low	63.5 Å²	63.5	76 Å²	76	41%	0.412	42%	0.424	S	S	.	.			trans	-64	135.6	166.9	28.2	-32.7	0	0	0	109.8	P428 E447	P428-P445 HydrophobicContact CB-CB 4.41Å; P428-P445 HydrophobicContact CG-CB 4.2Å; P445-E447 PolarHBondContact O-N 2.88Å
446	V	61	Low	51	Low	13 Å²	13	73.9 Å²	73.9	8%	0.079	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.9	169.2	-175.2	0	0	0	0	108.4	L444 V448 R458 L483 F485 Q560 L564	L444-V446 PolarHBondContact O-N 3.16Å; V446-V448 HydrophobicContact CG1-CG2 4.23Å; V446-V448 PolarHBondContact O-N 3.22Å; V446-R458 PolarHBondContact O-NH1 3.32Å; V446-R458 PolarHBondContact O-NH2 2.86Å; V446-L483 HydrophobicContact CG1-CB 4.06Å; V446-L483 HydrophobicContact CG1-CD1 3.89Å; V446-L483 HydrophobicContact CG1-CD2 3.99Å; V446-L483 HydrophobicContact CG1-CG 4.35Å; V446-F485 HydrophobicContact CB-CE1 4.21Å; V446-F485 HydrophobicContact CB-CZ 4.19Å; V446-F485 HydrophobicContact CG1-CD2 4.39Å; V446-F485 HydrophobicContact CG1-CE1 4.13Å; V446-F485 HydrophobicContact CG1-CE2 3.65Å; V446-F485 HydrophobicContact CG1-CZ 3.99Å; V446-F485 VanDerWaalsContact CG1-CZ 3.48Å; V446-F485 HydrophobicContact CG2-CD1 4.23Å; V446-F485 HydrophobicContact CG2-CE1 3.32Å; V446-F485 HydrophobicContact CG2-CE2 4.38Å; V446-F485 HydrophobicContact CG2-CZ 3.41Å; V446-Q560 HydrophobicContact CG2-CB 3.48Å; V446-Q560 VanDerWaalsContact CG2-CB 3.48Å; V446-Q560 HydrophobicContact CG2-CG 4.48Å; V446-Q560 VanDerWaalsContact CG2-OE1 3.31Å; V446-L564 HydrophobicContact CG1-CD2 3.95Å
447	E	60	Low	52.1	Low	55.5 Å²	55.5	73.4 Å²	73.4	26%	0.259	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	133.3	164.7	-68.9	173.7	-158.9	0	0	109	P445 N451 L483 R484 R486	P445-E447 PolarHBondContact O-N 2.88Å; E447-N451 PolarHBondContact OE2-OD1 3.07Å; E447-L483 CarbonylContact O-C 3.56Å; E447-L483 WeakPolarHBondContact O-CA 3.4Å; E447-R484 WeakPolarHBondContact CA-O 3.47Å; E447-R484 HydrophobicContact CB-CB 4.28Å; E447-R484 WeakPolarHBondContact CB-O 3.44Å; E447-R484 PolarHBondContact N-O 3.19Å; E447-R484 PolarHBondContact O-N 3.01Å; E447-R486 IonicContact OE1-CZ 3.24Å; E447-R486 IonicContact OE1-NE 2.62Å; E447-R486 IonicContact OE1-NH1 2.72Å; E447-R486 PolarHBondContact OE1-NH1 3.01Å; E447-R486 VanDerWaalsContact OE2-CD 3.31Å; E447-R486 WeakPolarHBondContact OE2-CD 3.35Å; E447-R486 IonicContact OE2-CZ 3.1Å; E447-R486 IonicContact OE2-NE 2.69Å; E447-R486 IonicContact OE2-NH1 2.96Å; E447-R486 PolarHBondContact OE2-NH1 2.85Å; E447-R486 IonicContact OE2-NH2 3.43Å
448	V	61.2	Low	53.3	Low	30.5 Å²	30.5	72.9 Å²	72.9	19%	0.185	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.6	-179.5	179.2	0	0	0	0	107.7	V446 P450 V461 L462 L481 L483 L564	V446-V448 HydrophobicContact CG1-CG2 4.23Å; V446-V448 PolarHBondContact O-N 3.22Å; V448-P450 CarbonylContact O-C 3.48Å; V448-V461 HydrophobicContact CG1-CG1 3.95Å; V448-L462 HydrophobicContact CG1-CD2 4.03Å; V448-L462 HydrophobicContact CG2-CD2 4.23Å; V448-L481 HydrophobicContact CG1-CB 4.29Å; V448-L481 HydrophobicContact CG1-CD1 3.73Å; V448-L481 HydrophobicContact CG1-CD2 4.19Å; V448-L481 HydrophobicContact CG1-CG 4.13Å; V448-L481 HydrophobicContact CG2-CD2 4.43Å; V448-L483 HydrophobicContact CB-CD2 4.37Å; V448-L483 HydrophobicContact CG1-CD2 4.13Å; V448-L483 HydrophobicContact CG2-CD2 3.87Å; V448-L564 HydrophobicContact CG1-CD2 4Å; V448-L564 HydrophobicContact CG2-CD2 4.3Å
449	E	57.2	Low	54.6	Low	52 Å²	52	68.1 Å²	68.1	24%	0.243	37%	0.367	C	S	.	.	S	Bend	trans	-100.7	137.3	-178.3	-80.1	-147.6	111.3	0	0	114.2	N451 R458 R482 R484	E449-N451 PolarHBondContact O-N 2.75Å; E449-R458 IonicContact OE1-CZ 2.71Å; E449-R458 IonicContact OE1-NH1 2.9Å; E449-R458 PolarHBondContact OE1-NH1 3.27Å; E449-R458 IonicContact OE1-NH2 2.89Å; E449-R482 HydrophobicContact CB-CB 4.28Å; E449-R482 PolarHBondContact N-O 3.42Å; E449-R482 WeakPolarHBondContact O-CA 3.26Å; E449-R482 WeakPolarHBondContact O-CB 3.44Å; E449-R482 PolarHBondContact O-N 2.87Å; E449-R482 VanDerWaalsContact OE2-CD 3.3Å; E449-R482 WeakPolarHBondContact OE2-CD 2.97Å; E449-R482 IonicContact OE2-NE 2.77Å; E449-R484 VanDerWaalsContact CD-CZ 3.45Å; E449-R484 HydrophobicContact CG-CG 4.12Å; E449-R484 IonicContact OE1-CZ 2.81Å; E449-R484 IonicContact OE1-NE 3.41Å; E449-R484 PolarHBondContact OE1-NE 2.81Å; E449-R484 IonicContact OE1-NH2 3.65Å; E449-R484 PolarHBondContact OE1-NH2 2.97Å; E449-R484 IonicContact OE2-CZ 3.15Å; E449-R484 VanDerWaalsContact OE2-CZ 3.25Å; E449-R484 IonicContact OE2-NE 3.19Å; E449-R484 PolarHBondContact OE2-NE 3.12Å; E449-R484 IonicContact OE2-NH2 3.34Å; E449-R484 PolarHBondContact OE2-NH2 3.18Å
450	P	55.6	Low	56.2	Low	46.5 Å²	46.5	69.5 Å²	69.5	30%	0.302	37%	0.366	S	S	.	.	S	Bend		-62.3	141.7	80	27.3	-33.5	0	0	0	110.5	V448 Y452 F479 L481	V448-P450 CarbonylContact O-C 3.48Å; P450-Y452 HydrophobicContact CB-CD1 4.34Å; P450-Y452 HydrophobicContact CB-CE1 3.53Å; P450-Y452 HydrophobicContact CB-CE2 4.45Å; P450-Y452 HydrophobicContact CG-CE1 3.75Å; P450-Y452 HydrophobicContact CG-CE2 3.83Å; P450-Y452 WeakPolarHBondContact CG-OH 3.38Å; P450-Y452 WeakPolarHBondContact O-CD2 3.42Å; P450-Y452 WeakPolarHBondContact O-CE2 3.09Å; P450-Y452 PolarHBondContact O-N 3.02Å; P450-F479 HydrophobicContact CB-CE2 3.95Å; P450-F479 HydrophobicContact CB-CZ 3.75Å; P450-L481 HydrophobicContact CB-CD2 3.92Å
451	N	56	Low	57.5	Low	57 Å²	57	64.3 Å²	64.3	31%	0.305	35%	0.348	S	S	.	.			trans	-75.5	125.2	-173.3	-171.3	27.2	0	0	0	110.4	E447 E449 N480 R482 D505	E447-N451 PolarHBondContact OE2-OD1 3.07Å; E449-N451 PolarHBondContact O-N 2.75Å; N451-N480 HydrophobicContact CB-CB 4.28Å; N451-N480 VanDerWaalsContact CB-O 3.26Å; N451-N480 WeakPolarHBondContact CB-O 3.48Å; N451-N480 PolarHBondContact N-O 3.19Å; N451-R482 HydrophobicContact CB-CB 4.36Å; N451-R482 PolarHBondContact ND2-NH2 2.85Å; N451-R482 PolarHBondContact OD1-NH2 3.31Å; N451-D505 PolarHBondContact ND2-OD1 3.07Å
452	Y	58.1	Low	58.9	Low	72.5 Å²	72.5	64.2 Å²	64.2	28%	0.284	35%	0.345	S	S	.	.			trans	-123.9	147.1	-178.6	-58.8	-66.6	0	0	0	111	P450 N454 D457 R458 V461 F479	P450-Y452 HydrophobicContact CB-CD1 4.34Å; P450-Y452 HydrophobicContact CB-CE1 3.53Å; P450-Y452 HydrophobicContact CB-CE2 4.45Å; P450-Y452 HydrophobicContact CG-CE1 3.75Å; P450-Y452 HydrophobicContact CG-CE2 3.83Å; P450-Y452 WeakPolarHBondContact CG-OH 3.38Å; P450-Y452 WeakPolarHBondContact O-CD2 3.42Å; P450-Y452 WeakPolarHBondContact O-CE2 3.09Å; P450-Y452 PolarHBondContact O-N 3.02Å; Y452-N454 VanDerWaalsContact C-N 3.3Å; Y452-N454 PolarHBondContact O-N 2.9Å; Y452-D457 HydrophobicContact CD1-CB 3.54Å; Y452-D457 HydrophobicContact CD2-CB 4.49Å; Y452-D457 HydrophobicContact CE1-CB 4.38Å; Y452-D457 HydrophobicContact CG-CB 3.61Å; Y452-R458 HydrophobicContact CE2-CB 4.02Å; Y452-R458 HydrophobicContact CE2-CG 3.98Å; Y452-R458 PolarHBondContact OH-O 3.38Å; Y452-V461 HydrophobicContact CD1-CB 3.94Å; Y452-V461 HydrophobicContact CD1-CG1 3.7Å; Y452-V461 HydrophobicContact CD1-CG2 4.11Å; Y452-V461 HydrophobicContact CD2-CG2 3.65Å; Y452-V461 HydrophobicContact CE1-CB 3.37Å; Y452-V461 HydrophobicContact CE1-CG1 3.29Å; Y452-V461 HydrophobicContact CE1-CG2 4.01Å; Y452-V461 HydrophobicContact CE2-CB 4.49Å; Y452-V461 HydrophobicContact CE2-CG2 3.08Å; Y452-F479 HydrophobicContact CE1-CE2 4.15Å
453	D	56.6	Low	59.9	Low	145 Å²	145	61.4 Å²	61.4	78%	0.775	34%	0.335	S	S	*	.	S	Bend	trans	-68.1	56.4	169	-64.1	-53.9	0	0	0	111.1	A455	D453-A455 PolarHBondContact O-N 3.42Å
454	N	59.6	Low	60.9	Low	134 Å²	134	67.6 Å²	67.6	72%	0.717	36%	0.358	S	S	*	.	S	Bend	trans	-88.4	78.4	-173.2	-55.3	-43.3	0	0	0	114.5	Y452 T456 D457 R458	Y452-N454 VanDerWaalsContact C-N 3.3Å; Y452-N454 PolarHBondContact O-N 2.9Å; N454-T456 PolarHBondContact O-N 2.94Å; N454-D457 WeakPolarHBondContact CB-OD2 3.42Å; N454-D457 PolarHBondContact N-OD2 3.31Å; N454-D457 PolarHBondContact ND2-OD2 3.23Å; N454-D457 WeakPolarHBondContact O-CB 3.35Å; N454-D457 PolarHBondContact O-N 3.36Å; N454-D457 VanDerWaalsContact O-N 3.17Å; N454-R458 PolarHBondContact O-N 3.02Å
455	A	57.1	Low	61.6	Low	64 Å²	64	67.2 Å²	67.2	53%	0.529	36%	0.355	S	S	.	.	H	α-helix	trans	-93.2	-6.7	-176.9	0	0	0	0	0	114.3	P401 S402 D453 A459	P401-A455 HydrophobicContact CG-CB 4Å; S402-A455 WeakPolarHBondContact OG-CB 3.37Å; D453-A455 PolarHBondContact O-N 3.42Å; A455-A459 PolarHBondContact O-N 2.96Å; A455-A459 VanDerWaalsContact O-N 3.16Å
456	T	62.2	Low	62.4	Low	74.5 Å²	74.5	66 Å²	66	46%	0.457	35%	0.347	S	S	.	.	H	α-helix	trans	-92.8	-133.2	176	-46.1	0	0	0	0	111.3	N454 R458 A459 E460 V461	N454-T456 PolarHBondContact O-N 2.94Å; T456-R458 PolarHBondContact O-N 3.03Å; T456-A459 WeakPolarHBondContact O-CA 3.46Å; T456-A459 VanDerWaalsContact O-CB 3.32Å; T456-A459 WeakPolarHBondContact O-CB 3.36Å; T456-A459 PolarHBondContact O-N 3.15Å; T456-E460 WeakPolarHBondContact CG2-OE2 3.27Å; T456-E460 PolarHBondContact O-N 2.88Å; T456-V461 HydrophobicContact CG2-CG2 3.39Å
457	D	63.6	Low	62.9	Low	72.5 Å²	72.5	72.9 Å²	72.9	39%	0.388	37%	0.371	S	S	.	.	H	α-helix	trans	-64.1	43.3	-179.1	-109.4	-7.6	0	0	0	110.5	Y452 N454 A459 E460 V461	Y452-D457 HydrophobicContact CD1-CB 3.54Å; Y452-D457 HydrophobicContact CD2-CB 4.49Å; Y452-D457 HydrophobicContact CE1-CB 4.38Å; Y452-D457 HydrophobicContact CG-CB 3.61Å; N454-D457 WeakPolarHBondContact CB-OD2 3.42Å; N454-D457 PolarHBondContact N-OD2 3.31Å; N454-D457 PolarHBondContact ND2-OD2 3.23Å; N454-D457 WeakPolarHBondContact O-CB 3.35Å; N454-D457 PolarHBondContact O-N 3.36Å; N454-D457 VanDerWaalsContact O-N 3.17Å; D457-A459 VanDerWaalsContact C-N 3.28Å; D457-A459 PolarHBondContact O-N 2.84Å; D457-A459 VanDerWaalsContact O-N 3.14Å; D457-A459 PolarHBondContact OD1-N 3.31Å; D457-E460 HydrophobicContact CB-CB 4.15Å; D457-E460 WeakPolarHBondContact O-CA 3.44Å; D457-E460 WeakPolarHBondContact O-CB 3.47Å; D457-E460 PolarHBondContact O-N 3.05Å; D457-E460 VanDerWaalsContact O-N 3.07Å; D457-V461 WeakPolarHBondContact O-CG2 3.47Å; D457-V461 PolarHBondContact O-N 3.01Å; D457-V461 VanDerWaalsContact O-N 3.08Å
458	R	61.5	Low	63.4	Low	103 Å²	103	70.9 Å²	70.9	39%	0.389	36%	0.363	S	S	.	.	H	α-helix	trans	-53.4	-37.1	171.6	-179.7	-175.3	-174.8	116.9	2.2	112.2	V446 E449 Y452 N454 T456 E460 V461 L462	V446-R458 PolarHBondContact O-NH1 3.32Å; V446-R458 PolarHBondContact O-NH2 2.86Å; E449-R458 IonicContact OE1-CZ 2.71Å; E449-R458 IonicContact OE1-NH1 2.9Å; E449-R458 PolarHBondContact OE1-NH1 3.27Å; E449-R458 IonicContact OE1-NH2 2.89Å; Y452-R458 HydrophobicContact CE2-CB 4.02Å; Y452-R458 HydrophobicContact CE2-CG 3.98Å; Y452-R458 PolarHBondContact OH-O 3.38Å; N454-R458 PolarHBondContact O-N 3.02Å; T456-R458 PolarHBondContact O-N 3.03Å; R458-E460 VanDerWaalsContact C-N 3.32Å; R458-E460 PolarHBondContact O-N 3.34Å; R458-V461 PolarHBondContact O-N 3.49Å; R458-L462 HydrophobicContact CG-CD1 4.12Å; R458-L462 WeakPolarHBondContact O-CB 3.48Å; R458-L462 VanDerWaalsContact O-CG 3.29Å; R458-L462 WeakPolarHBondContact O-CG 3.3Å; R458-L462 PolarHBondContact O-N 3.24Å
459	A	63.5	Low	63.6	Low	47.5 Å²	47.5	71.1 Å²	71.1	39%	0.393	36%	0.363	S	S	.	.	H	α-helix	trans	-70.4	-40.6	176.2	0	0	0	0	0	112.3	A455 T456 D457 V461 L462 D463	A455-A459 PolarHBondContact O-N 2.96Å; A455-A459 VanDerWaalsContact O-N 3.16Å; T456-A459 WeakPolarHBondContact O-CA 3.46Å; T456-A459 VanDerWaalsContact O-CB 3.32Å; T456-A459 WeakPolarHBondContact O-CB 3.36Å; T456-A459 PolarHBondContact O-N 3.15Å; D457-A459 VanDerWaalsContact C-N 3.28Å; D457-A459 PolarHBondContact O-N 2.84Å; D457-A459 VanDerWaalsContact O-N 3.14Å; D457-A459 PolarHBondContact OD1-N 3.31Å; A459-V461 PolarHBondContact O-N 3.35Å; A459-L462 PolarHBondContact O-N 3.33Å; A459-D463 WeakPolarHBondContact O-CB 3.43Å; A459-D463 PolarHBondContact O-N 2.91Å
460	E	69.1	Low	63.9	Low	104 Å²	104	71.1 Å²	71.1	49%	0.486	38%	0.377	S	S	.	.	H	α-helix	trans	-62.5	-44.2	175.3	-168.7	-165	154.1	0	0	111.7	T456 D457 R458 L462 D463 R464	T456-E460 WeakPolarHBondContact CG2-OE2 3.27Å; T456-E460 PolarHBondContact O-N 2.88Å; D457-E460 HydrophobicContact CB-CB 4.15Å; D457-E460 WeakPolarHBondContact O-CA 3.44Å; D457-E460 WeakPolarHBondContact O-CB 3.47Å; D457-E460 PolarHBondContact O-N 3.05Å; D457-E460 VanDerWaalsContact O-N 3.07Å; R458-E460 VanDerWaalsContact C-N 3.32Å; R458-E460 PolarHBondContact O-N 3.34Å; E460-L462 PolarHBondContact O-N 3.45Å; E460-D463 PolarHBondContact O-N 3.35Å; E460-R464 VanDerWaalsContact O-CB 3.25Å; E460-R464 WeakPolarHBondContact O-CB 3.32Å; E460-R464 PolarHBondContact O-N 2.82Å; E460-R464 IonicContact OE1-CZ 3.9Å; E460-R464 IonicContact OE1-NH1 3.88Å; E460-R464 PolarHBondContact OE1-NH1 2.74Å; E460-R464 IonicContact OE1-NH2 3.39Å; E460-R464 PolarHBondContact OE1-NH2 2.89Å
461	V	64.7	Low	64.5	Low	18 Å²	18	71.9 Å²	71.9	11%	0.109	38%	0.379	C	S	.	.	H	α-helix	trans	-65.1	-40.1	178.5	-172.7	0	0	0	0	111.5	V448 Y452 T456 D457 R458 A459 D463 R464 F465 F479	V448-V461 HydrophobicContact CG1-CG1 3.95Å; Y452-V461 HydrophobicContact CD1-CB 3.94Å; Y452-V461 HydrophobicContact CD1-CG1 3.7Å; Y452-V461 HydrophobicContact CD1-CG2 4.11Å; Y452-V461 HydrophobicContact CD2-CG2 3.65Å; Y452-V461 HydrophobicContact CE1-CB 3.37Å; Y452-V461 HydrophobicContact CE1-CG1 3.29Å; Y452-V461 HydrophobicContact CE1-CG2 4.01Å; Y452-V461 HydrophobicContact CE2-CB 4.49Å; Y452-V461 HydrophobicContact CE2-CG2 3.08Å; T456-V461 HydrophobicContact CG2-CG2 3.39Å; D457-V461 WeakPolarHBondContact O-CG2 3.47Å; D457-V461 PolarHBondContact O-N 3.01Å; D457-V461 VanDerWaalsContact O-N 3.08Å; R458-V461 PolarHBondContact O-N 3.49Å; A459-V461 PolarHBondContact O-N 3.35Å; V461-D463 VanDerWaalsContact C-N 3.3Å; V461-D463 PolarHBondContact O-N 2.95Å; V461-R464 PolarHBondContact O-N 2.97Å; V461-F465 WeakPolarHBondContact O-CB 3.42Å; V461-F465 PolarHBondContact O-N 3.18Å; V461-F479 HydrophobicContact CG1-CD2 4.14Å; V461-F479 HydrophobicContact CG1-CE2 4.05Å
462	L	67.3	Low	64.7	Low	46 Å²	46	73.8 Å²	73.8	24%	0.241	39%	0.394	C	S	.	.	H	α-helix	trans	-66.5	-37.6	177.5	-115.1	123.3	0	0	0	111.6	V448 R458 A459 E460 F465 V466 L481 L564 L568	V448-L462 HydrophobicContact CG1-CD2 4.03Å; V448-L462 HydrophobicContact CG2-CD2 4.23Å; R458-L462 HydrophobicContact CG-CD1 4.12Å; R458-L462 WeakPolarHBondContact O-CB 3.48Å; R458-L462 VanDerWaalsContact O-CG 3.29Å; R458-L462 WeakPolarHBondContact O-CG 3.3Å; R458-L462 PolarHBondContact O-N 3.24Å; A459-L462 PolarHBondContact O-N 3.33Å; E460-L462 PolarHBondContact O-N 3.45Å; L462-F465 PolarHBondContact O-N 3.33Å; L462-V466 WeakPolarHBondContact O-CG2 3.37Å; L462-V466 PolarHBondContact O-N 3.31Å; L462-L481 HydrophobicContact CD2-CD1 4.3Å; L462-L481 HydrophobicContact CD2-CD2 3.72Å; L462-L564 HydrophobicContact CD1-CD1 4.04Å; L462-L564 HydrophobicContact CD2-CD1 3.98Å; L462-L568 HydrophobicContact CB-CD2 4.01Å; L462-L568 HydrophobicContact CD2-CD1 4.04Å; L462-L568 HydrophobicContact CD2-CD2 3.98Å; L462-L568 HydrophobicContact CD2-CG 4.45Å
463	D	69.6	Low	64.7	Low	64.5 Å²	64.5	78.7 Å²	78.7	35%	0.345	42%	0.42	S	S	.	.	H	α-helix	trans	-70.1	-43.1	173.3	-178.7	59.8	0	0	0	112.2	A459 E460 V461 F465 V466 R467	A459-D463 WeakPolarHBondContact O-CB 3.43Å; A459-D463 PolarHBondContact O-N 2.91Å; E460-D463 PolarHBondContact O-N 3.35Å; V461-D463 VanDerWaalsContact C-N 3.3Å; V461-D463 PolarHBondContact O-N 2.95Å; D463-F465 VanDerWaalsContact C-N 3.28Å; D463-F465 PolarHBondContact O-N 2.87Å; D463-V466 PolarHBondContact O-N 3.28Å; D463-V466 VanDerWaalsContact O-N 3.09Å; D463-R467 VanDerWaalsContact CG-NE 3.27Å; D463-R467 WeakPolarHBondContact O-CB 3.21Å; D463-R467 VanDerWaalsContact O-CG 3.31Å; D463-R467 WeakPolarHBondContact O-CG 3.11Å; D463-R467 PolarHBondContact O-N 3.02Å; D463-R467 IonicContact OD1-CZ 3.94Å; D463-R467 IonicContact OD1-NE 2.81Å; D463-R467 PolarHBondContact OD1-NE 3.11Å; D463-R467 IonicContact OD1-NH2 3.18Å; D463-R467 IonicContact OD2-CZ 2.75Å; D463-R467 IonicContact OD2-NE 2.96Å; D463-R467 PolarHBondContact OD2-NE 2.92Å; D463-R467 IonicContact OD2-NH2 3.23Å; D463-R467 PolarHBondContact OD2-NH2 2.77Å
464	R	69.5	Low	64.9	Low	139 Å²	139	75 Å²	75	53%	0.525	40%	0.403	S	S	.	.	H	α-helix	trans	-58.2	-38.8	172.5	-177.3	-179.2	-136.5	142.8	0.2	111.4	E460 V461 R467 S468	E460-R464 VanDerWaalsContact O-CB 3.25Å; E460-R464 WeakPolarHBondContact O-CB 3.32Å; E460-R464 PolarHBondContact O-N 2.82Å; E460-R464 IonicContact OE1-CZ 3.9Å; E460-R464 IonicContact OE1-NH1 3.88Å; E460-R464 PolarHBondContact OE1-NH1 2.74Å; E460-R464 IonicContact OE1-NH2 3.39Å; E460-R464 PolarHBondContact OE1-NH2 2.89Å; V461-R464 PolarHBondContact O-N 2.97Å; R464-R467 PolarHBondContact O-N 2.83Å; R464-S468 WeakPolarHBondContact O-CB 3.44Å; R464-S468 PolarHBondContact O-N 3.28Å
465	F	67.3	Low	64.9	Low	9.5 Å²	9.5	71.5 Å²	71.5	4%	0.042	38%	0.38	C	S	.	.	H	α-helix	trans	-65	-48.8	173.1	-178.4	-98.1	0	0	0	111.8	V461 L462 D463 R467 S468 L469 F479 L481 I508 L568	V461-F465 WeakPolarHBondContact O-CB 3.42Å; V461-F465 PolarHBondContact O-N 3.18Å; L462-F465 PolarHBondContact O-N 3.33Å; D463-F465 VanDerWaalsContact C-N 3.28Å; D463-F465 PolarHBondContact O-N 2.87Å; F465-R467 VanDerWaalsContact C-N 3.27Å; F465-R467 PolarHBondContact O-N 3.36Å; F465-S468 WeakPolarHBondContact O-CA 3.45Å; F465-S468 WeakPolarHBondContact O-CB 3.29Å; F465-S468 PolarHBondContact O-N 2.91Å; F465-S468 PolarHBondContact O-OG 2.89Å; F465-L469 HydrophobicContact CD1-CD1 4.31Å; F465-L469 HydrophobicContact CD1-CD2 4.32Å; F465-L469 HydrophobicContact CD1-CG 4.03Å; F465-L469 HydrophobicContact CD2-CG 4.47Å; F465-L469 HydrophobicContact CE1-CD1 3.9Å; F465-L469 HydrophobicContact CE1-CD2 3.68Å; F465-L469 HydrophobicContact CE1-CG 4.12Å; F465-L469 HydrophobicContact CE2-CD1 4.26Å; F465-L469 HydrophobicContact CE2-CD2 3.83Å; F465-L469 HydrophobicContact CE2-CG 3.91Å; F465-L469 HydrophobicContact CZ-CD1 3.7Å; F465-L469 HydrophobicContact CZ-CD2 4.06Å; F465-L469 HydrophobicContact CZ-CG 3.86Å; F465-L469 WeakPolarHBondContact O-CG 3.38Å; F465-L469 PolarHBondContact O-N 2.78Å; F465-F479 HydrophobicContact CB-CD2 4.44Å; F465-F479 HydrophobicContact CB-CE1 4.26Å; F465-F479 HydrophobicContact CB-CE2 3.8Å; F465-F479 HydrophobicContact CB-CZ 3.71Å; F465-F479 HydrophobicContact CD1-CE1 4.25Å; F465-F479 AromaticContact CD1-CZ 3.99Å; F465-F479 HydrophobicContact CD1-CZ 3.99Å; F465-F479 AromaticContact CD2-CD1 3.81Å; F465-F479 HydrophobicContact CD2-CD1 3.81Å; F465-F479 AromaticContact CD2-CE1 3.4Å; F465-F479 HydrophobicContact CD2-CE1 3.4Å; F465-F479 VanDerWaalsContact CD2-CE1 3.47Å; F465-F479 HydrophobicContact CD2-CE2 4.36Å; F465-F479 HydrophobicContact CD2-CG 4.43Å; F465-F479 AromaticContact CD2-CZ 3.68Å; F465-F479 HydrophobicContact CD2-CZ 4.07Å; F465-F479 AromaticContact CE2-CD1 3.63Å; F465-F479 HydrophobicContact CE2-CD1 3.89Å; F465-F479 AromaticContact CE2-CE1 3.71Å; F465-F479 HydrophobicContact CE2-CE1 3.71Å; F465-F479 HydrophobicContact CE2-CZ 4.34Å; F465-F479 WeakPolarHBondContact CE2-O 3.32Å; F465-F479 HydrophobicContact CG-CD1 4.4Å; F465-F479 AromaticContact CG-CE1 3.67Å; F465-F479 HydrophobicContact CG-CE1 3.99Å; F465-F479 HydrophobicContact CG-CE2 4.1Å; F465-F479 AromaticContact CG-CZ 3.48Å; F465-F479 HydrophobicContact CG-CZ 3.48Å; F465-F479 VanDerWaalsContact CG-CZ 3.48Å; F465-F479 HydrophobicContact CZ-CD1 4.35Å; F465-F479 HydrophobicContact CZ-CE1 4.25Å; F465-F479 VanDerWaalsContact CZ-O 3.27Å; F465-F479 WeakPolarHBondContact CZ-O 3.41Å; F465-L481 HydrophobicContact CB-CD1 4.47Å; F465-L481 HydrophobicContact CD2-CB 4.32Å; F465-L481 HydrophobicContact CD2-CD1 3.59Å; F465-L481 HydrophobicContact CE2-CB 3.88Å; F465-L481 HydrophobicContact CE2-CD1 4.01Å; F465-L481 HydrophobicContact CG-CD1 4.06Å; F465-L481 HydrophobicContact CZ-CB 4.17Å; F465-I508 HydrophobicContact CD1-CD1 3.8Å; F465-I508 HydrophobicContact CE1-CD1 3.77Å; F465-I508 HydrophobicContact CE1-CG1 3.94Å; F465-I508 HydrophobicContact CE2-CD1 3.56Å; F465-I508 HydrophobicContact CZ-CD1 3.74Å; F465-I508 HydrophobicContact CZ-CG1 4.37Å; F465-L568 HydrophobicContact CE1-CD1 4.21Å; F465-L568 HydrophobicContact CE1-CD2 4.33Å; F465-L568 HydrophobicContact CZ-CD1 4.19Å
466	V	70.2	Confident	64.9	Low	37.5 Å²	37.5	72.2 Å²	72.2	23%	0.227	37%	0.374	C	S	.	.	H	α-helix	trans	-60.5	-34.5	176.4	169.5	0	0	0	0	112.1	L462 D463 L568 K571 R572	L462-V466 WeakPolarHBondContact O-CG2 3.37Å; L462-V466 PolarHBondContact O-N 3.31Å; D463-V466 PolarHBondContact O-N 3.28Å; D463-V466 VanDerWaalsContact O-N 3.09Å; V466-L568 HydrophobicContact CG2-CB 4.49Å; V466-L568 HydrophobicContact CG2-CD2 3.56Å; V466-K571 HydrophobicContact CG1-CB 4.14Å; V466-K571 HydrophobicContact CG2-CB 3.98Å; V466-R572 HydrophobicContact CG1-CB 4.12Å
467	R	71.9	Confident	64.6	Low	158 Å²	158	72.1 Å²	72.1	60%	0.596	38%	0.375	S	S	*	.	H	α-helix	trans	-67	-40.4	170.7	-71.2	-179.7	-133.5	-175.3	4.7	112.2	D463 R464 F465 L469 G470 N471	D463-R467 VanDerWaalsContact CG-NE 3.27Å; D463-R467 WeakPolarHBondContact O-CB 3.21Å; D463-R467 VanDerWaalsContact O-CG 3.31Å; D463-R467 WeakPolarHBondContact O-CG 3.11Å; D463-R467 PolarHBondContact O-N 3.02Å; D463-R467 IonicContact OD1-CZ 3.94Å; D463-R467 IonicContact OD1-NE 2.81Å; D463-R467 PolarHBondContact OD1-NE 3.11Å; D463-R467 IonicContact OD1-NH2 3.18Å; D463-R467 IonicContact OD2-CZ 2.75Å; D463-R467 IonicContact OD2-NE 2.96Å; D463-R467 PolarHBondContact OD2-NE 2.92Å; D463-R467 IonicContact OD2-NH2 3.23Å; D463-R467 PolarHBondContact OD2-NH2 2.77Å; R464-R467 PolarHBondContact O-N 2.83Å; F465-R467 VanDerWaalsContact C-N 3.27Å; F465-R467 PolarHBondContact O-N 3.36Å; R467-L469 VanDerWaalsContact C-N 3.33Å; R467-L469 PolarHBondContact O-N 3.05Å; R467-G470 PolarHBondContact O-N 3.02Å; R467-G470 VanDerWaalsContact O-N 3.07Å; R467-N471 PolarHBondContact O-N 3.4Å
468	S	68.6	Low	64.1	Low	13 Å²	13	74.7 Å²	74.7	9%	0.091	39%	0.389	C	S	.	.	H	α-helix	trans	-68.4	-27.7	178.2	136.7	0	0	0	0	114	R464 F465 G470 N471 T474 Y509	R464-S468 WeakPolarHBondContact O-CB 3.44Å; R464-S468 PolarHBondContact O-N 3.28Å; F465-S468 WeakPolarHBondContact O-CA 3.45Å; F465-S468 WeakPolarHBondContact O-CB 3.29Å; F465-S468 PolarHBondContact O-N 2.91Å; F465-S468 PolarHBondContact O-OG 2.89Å; S468-G470 VanDerWaalsContact C-N 3.26Å; S468-G470 PolarHBondContact O-N 3.09Å; S468-N471 VanDerWaalsContact O-O 3.1Å; S468-T474 VanDerWaalsContact CB-O 3.28Å; S468-T474 WeakPolarHBondContact CB-O 3.38Å; S468-T474 PolarHBondContact O-OG1 3.2Å; S468-Y509 PolarHBondContact OG-OH 3.26Å
469	L	65.6	Low	63.9	Low	34.5 Å²	34.5	72.4 Å²	72.4	18%	0.181	38%	0.382	C	S	.	.	H	α-helix	trans	-64.3	-27.2	168.7	-66.2	179.7	0	0	0	112.5	F465 R467 Y509 L569	F465-L469 HydrophobicContact CD1-CD1 4.31Å; F465-L469 HydrophobicContact CD1-CD2 4.32Å; F465-L469 HydrophobicContact CD1-CG 4.03Å; F465-L469 HydrophobicContact CD2-CG 4.47Å; F465-L469 HydrophobicContact CE1-CD1 3.9Å; F465-L469 HydrophobicContact CE1-CD2 3.68Å; F465-L469 HydrophobicContact CE1-CG 4.12Å; F465-L469 HydrophobicContact CE2-CD1 4.26Å; F465-L469 HydrophobicContact CE2-CD2 3.83Å; F465-L469 HydrophobicContact CE2-CG 3.91Å; F465-L469 HydrophobicContact CZ-CD1 3.7Å; F465-L469 HydrophobicContact CZ-CD2 4.06Å; F465-L469 HydrophobicContact CZ-CG 3.86Å; F465-L469 WeakPolarHBondContact O-CG 3.38Å; F465-L469 PolarHBondContact O-N 2.78Å; R467-L469 VanDerWaalsContact C-N 3.33Å; R467-L469 PolarHBondContact O-N 3.05Å; L469-Y509 HydrophobicContact CD1-CE2 4.46Å; L469-Y509 HydrophobicContact CD2-CE2 3.8Å; L469-L569 HydrophobicContact CD2-CD2 4.15Å
470	G	63.9	Low	63.9	Low	53 Å²	53	71.8 Å²	71.8	55%	0.546	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-23.8	-177.5	0	0	0	0	0	115.5	R467 S468 R572	R467-G470 PolarHBondContact O-N 3.02Å; R467-G470 VanDerWaalsContact O-N 3.07Å; S468-G470 VanDerWaalsContact C-N 3.26Å; S468-G470 PolarHBondContact O-N 3.09Å; G470-R572 VanDerWaalsContact CA-NH1 3.28Å
471	N	67.5	Low	63.7	Low	63 Å²	63	67.2 Å²	67.2	34%	0.337	35%	0.351	S	S	.	.	S	Bend	trans	-116.6	118.8	176.3	175.4	7.7	0	0	0	110.3	R467 S468 E473 T474 R475	R467-N471 PolarHBondContact O-N 3.4Å; S468-N471 VanDerWaalsContact O-O 3.1Å; N471-E473 PolarHBondContact O-N 3.06Å; N471-E473 WeakPolarHBondContact OD1-CB 3.34Å; N471-E473 PolarHBondContact OD1-N 3.05Å; N471-T474 HydrophobicContact CB-CG2 4.46Å; N471-T474 WeakPolarHBondContact CB-OG1 3.45Å; N471-T474 CarbonylContact O-C 3.6Å; N471-T474 PolarHBondContact O-N 3.02Å; N471-T474 VanDerWaalsContact O-N 3.15Å; N471-T474 PolarHBondContact O-OG1 3.26Å; N471-T474 VanDerWaalsContact O-OG1 3.11Å; N471-R475 PolarHBondContact O-N 3.5Å
472	P	62.2	Low	63.8	Low	96.5 Å²	96.5	70.3 Å²	70.3	63%	0.627	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.7	179.9	27	-35.5	0	0	0	113.9	T474 R475	P472-T474 VanDerWaalsContact C-N 3.35Å; P472-R475 WeakPolarHBondContact O-CB 3.25Å; P472-R475 WeakPolarHBondContact O-CD 3.49Å; P472-R475 VanDerWaalsContact O-CG 3.31Å; P472-R475 WeakPolarHBondContact O-CG 3.41Å; P472-R475 PolarHBondContact O-N 2.84Å
473	E	58.1	Low	63.7	Low	176 Å²	176	68.3 Å²	68.3	82%	0.822	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-77.7	-24	177.9	-59.8	-179.6	172.7	0	0	112.8	N471 R475	N471-E473 PolarHBondContact O-N 3.06Å; N471-E473 WeakPolarHBondContact OD1-CB 3.34Å; N471-E473 PolarHBondContact OD1-N 3.05Å; E473-R475 VanDerWaalsContact C-N 3.34Å
474	T	59.6	Low	63.5	Low	67.5 Å²	67.5	67.9 Å²	67.9	41%	0.414	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-95.4	8.1	174.2	57	0	0	0	0	113.1	S468 N471 P472 N476	S468-T474 VanDerWaalsContact CB-O 3.28Å; S468-T474 WeakPolarHBondContact CB-O 3.38Å; S468-T474 PolarHBondContact O-OG1 3.2Å; N471-T474 HydrophobicContact CB-CG2 4.46Å; N471-T474 WeakPolarHBondContact CB-OG1 3.45Å; N471-T474 CarbonylContact O-C 3.6Å; N471-T474 PolarHBondContact O-N 3.02Å; N471-T474 VanDerWaalsContact O-N 3.15Å; N471-T474 PolarHBondContact O-OG1 3.26Å; N471-T474 VanDerWaalsContact O-OG1 3.11Å; P472-T474 VanDerWaalsContact C-N 3.35Å; T474-N476 PolarHBondContact O-N 2.84Å
475	R	60.5	Low	63.2	Low	60 Å²	60	61.3 Å²	61.3	23%	0.226	32%	0.319	C	S	.	.			trans	-74.3	82.5	175.5	-112.4	179.2	-177.2	-158	-4	111.4	N471 P472 E473 P477 Y509 E512 E632	N471-R475 PolarHBondContact O-N 3.5Å; P472-R475 WeakPolarHBondContact O-CB 3.25Å; P472-R475 WeakPolarHBondContact O-CD 3.49Å; P472-R475 VanDerWaalsContact O-CG 3.31Å; P472-R475 WeakPolarHBondContact O-CG 3.41Å; P472-R475 PolarHBondContact O-N 2.84Å; E473-R475 VanDerWaalsContact C-N 3.34Å; R475-P477 WeakPolarHBondContact O-CD 3.24Å; R475-Y509 HydrophobicContact CB-CD1 4.4Å; R475-Y509 HydrophobicContact CB-CE1 3.97Å; R475-Y509 HydrophobicContact CB-CE2 4.37Å; R475-Y509 HydrophobicContact CG-CD1 3.95Å; R475-Y509 HydrophobicContact CG-CE1 3.5Å; R475-Y509 PolarHBondContact NH2-OH 3.05Å; R475-E512 IonicContact CZ-OE1 2.68Å; R475-E512 IonicContact CZ-OE2 3.93Å; R475-E512 IonicContact NH1-OE1 2.71Å; R475-E512 IonicContact NH1-OE2 3.92Å; R475-E512 PolarHBondContact NH1-OE2 3.03Å; R475-E512 IonicContact NH2-OE1 3.4Å; R475-E512 PolarHBondContact NH2-OE1 3.37Å; R475-E512 IonicContact NH2-OE2 2.79Å; R475-E512 PolarHBondContact NH2-OE2 3.43Å; R475-E632 PolarHBondContact NH1-O 3.29Å; R475-E632 VanDerWaalsContact NH1-O 3.15Å; R475-E632 VanDerWaalsContact NH2-CG 3.28Å; R475-E632 PolarHBondContact NH2-O 2.84Å
476	N	56.8	Low	63	Low	78 Å²	78	66.1 Å²	66.1	42%	0.417	34%	0.336	S	S	.	.			trans	-72.6	117.9	171.7	-179.5	-3.4	0	0	0	109	T474 N478 F479 Y509	T474-N476 PolarHBondContact O-N 2.84Å; N476-N478 PolarHBondContact O-N 3.19Å; N476-N478 VanDerWaalsContact O-N 3.11Å; N476-N478 WeakPolarHBondContact OD1-CB 3.44Å; N476-N478 PolarHBondContact OD1-N 3.08Å; N476-F479 HydrophobicContact CB-CB 4.35Å; N476-F479 WeakPolarHBondContact O-CB 3.43Å; N476-F479 PolarHBondContact O-N 3.06Å; N476-Y509 WeakPolarHBondContact O-CE2 3.32Å
477	P	54.7	Low	62.5	Low	74 Å²	74	65.6 Å²	65.6	48%	0.481	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-8.8	179.4	28.8	-36.3	0	0	0	113.9	R475 N480 Y636	R475-P477 WeakPolarHBondContact O-CD 3.24Å; P477-N480 PolarHBondContact O-ND2 3.1Å; P477-Y636 VanDerWaalsContact CA-OH 3.32Å; P477-Y636 WeakPolarHBondContact CA-OH 3.35Å; P477-Y636 HydrophobicContact CB-CE2 3.86Å; P477-Y636 WeakPolarHBondContact CB-OH 3.46Å; P477-Y636 PolarHBondContact O-OH 2.98Å
478	N	52.9	Low	61.9	Low	126.5 Å²	126.5	63.6 Å²	63.6	68%	0.676	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-8.4	173.1	-58.8	-8.2	0	0	0	112.9	N476 N480	N476-N478 PolarHBondContact O-N 3.19Å; N476-N478 VanDerWaalsContact O-N 3.11Å; N476-N478 WeakPolarHBondContact OD1-CB 3.44Å; N476-N478 PolarHBondContact OD1-N 3.08Å; N478-N480 PolarHBondContact O-N 3.29Å; N478-N480 PolarHBondContact O-ND2 2.98Å
479	F	57.8	Low	61.4	Low	54.5 Å²	54.5	67.3 Å²	67.3	24%	0.239	34%	0.343	C	S	.	.			trans	-78.1	87.9	176.9	-169.3	-92.5	0	0	0	110.6	P450 Y452 V461 F465 N476 L481 I508 Y509	P450-F479 HydrophobicContact CB-CE2 3.95Å; P450-F479 HydrophobicContact CB-CZ 3.75Å; Y452-F479 HydrophobicContact CE1-CE2 4.15Å; V461-F479 HydrophobicContact CG1-CD2 4.14Å; V461-F479 HydrophobicContact CG1-CE2 4.05Å; F465-F479 HydrophobicContact CB-CD2 4.44Å; F465-F479 HydrophobicContact CB-CE1 4.26Å; F465-F479 HydrophobicContact CB-CE2 3.8Å; F465-F479 HydrophobicContact CB-CZ 3.71Å; F465-F479 HydrophobicContact CD1-CE1 4.25Å; F465-F479 AromaticContact CD1-CZ 3.99Å; F465-F479 HydrophobicContact CD1-CZ 3.99Å; F465-F479 AromaticContact CD2-CD1 3.81Å; F465-F479 HydrophobicContact CD2-CD1 3.81Å; F465-F479 AromaticContact CD2-CE1 3.4Å; F465-F479 HydrophobicContact CD2-CE1 3.4Å; F465-F479 VanDerWaalsContact CD2-CE1 3.47Å; F465-F479 HydrophobicContact CD2-CE2 4.36Å; F465-F479 HydrophobicContact CD2-CG 4.43Å; F465-F479 AromaticContact CD2-CZ 3.68Å; F465-F479 HydrophobicContact CD2-CZ 4.07Å; F465-F479 AromaticContact CE2-CD1 3.63Å; F465-F479 HydrophobicContact CE2-CD1 3.89Å; F465-F479 AromaticContact CE2-CE1 3.71Å; F465-F479 HydrophobicContact CE2-CE1 3.71Å; F465-F479 HydrophobicContact CE2-CZ 4.34Å; F465-F479 WeakPolarHBondContact CE2-O 3.32Å; F465-F479 HydrophobicContact CG-CD1 4.4Å; F465-F479 AromaticContact CG-CE1 3.67Å; F465-F479 HydrophobicContact CG-CE1 3.99Å; F465-F479 HydrophobicContact CG-CE2 4.1Å; F465-F479 AromaticContact CG-CZ 3.48Å; F465-F479 HydrophobicContact CG-CZ 3.48Å; F465-F479 VanDerWaalsContact CG-CZ 3.48Å; F465-F479 HydrophobicContact CZ-CD1 4.35Å; F465-F479 HydrophobicContact CZ-CE1 4.25Å; F465-F479 VanDerWaalsContact CZ-O 3.27Å; F465-F479 WeakPolarHBondContact CZ-O 3.41Å; N476-F479 HydrophobicContact CB-CB 4.35Å; N476-F479 WeakPolarHBondContact O-CB 3.43Å; N476-F479 PolarHBondContact O-N 3.06Å; F479-L481 HydrophobicContact CE1-CD2 4.19Å; F479-L481 HydrophobicContact CZ-CD2 4.32Å; F479-I508 HydrophobicContact CD1-CD1 4.37Å; F479-I508 HydrophobicContact CE1-CD1 3.76Å; F479-Y509 HydrophobicContact CB-CE2 4.29Å
480	N	63.5	Low	61.2	Low	35.5 Å²	35.5	66.4 Å²	66.4	19%	0.19	34%	0.338	C	S	.	.			trans	-105.7	154.4	178	-67.3	-75.4	0	0	0	110	N451 P477 N478 R482 D505 L506 D507	N451-N480 HydrophobicContact CB-CB 4.28Å; N451-N480 VanDerWaalsContact CB-O 3.26Å; N451-N480 WeakPolarHBondContact CB-O 3.48Å; N451-N480 PolarHBondContact N-O 3.19Å; P477-N480 PolarHBondContact O-ND2 3.1Å; N478-N480 PolarHBondContact O-N 3.29Å; N478-N480 PolarHBondContact O-ND2 2.98Å; N480-R482 PolarHBondContact O-N 3.3Å; N480-D505 HydrophobicContact CB-CB 3.94Å; N480-L506 CarbonylContact C-O 3.5Å; N480-L506 WeakPolarHBondContact CA-O 3.48Å; N480-D507 VanDerWaalsContact OD1-CA 3.31Å; N480-D507 WeakPolarHBondContact OD1-CA 3.47Å; N480-D507 VanDerWaalsContact OD1-CB 3.24Å; N480-D507 WeakPolarHBondContact OD1-CB 3.47Å; N480-D507 PolarHBondContact OD1-N 2.92Å
481	L	65.3	Low	61.1	Low	6.5 Å²	6.5	64.3 Å²	64.3	3%	0.034	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	106.3	172.3	-114.7	126.4	0	0	0	109	V448 P450 L462 F465 F479 L483 L506 I508 L564 L568	V448-L481 HydrophobicContact CG1-CB 4.29Å; V448-L481 HydrophobicContact CG1-CD1 3.73Å; V448-L481 HydrophobicContact CG1-CD2 4.19Å; V448-L481 HydrophobicContact CG1-CG 4.13Å; V448-L481 HydrophobicContact CG2-CD2 4.43Å; P450-L481 HydrophobicContact CB-CD2 3.92Å; L462-L481 HydrophobicContact CD2-CD1 4.3Å; L462-L481 HydrophobicContact CD2-CD2 3.72Å; F465-L481 HydrophobicContact CB-CD1 4.47Å; F465-L481 HydrophobicContact CD2-CB 4.32Å; F465-L481 HydrophobicContact CD2-CD1 3.59Å; F465-L481 HydrophobicContact CE2-CB 3.88Å; F465-L481 HydrophobicContact CE2-CD1 4.01Å; F465-L481 HydrophobicContact CG-CD1 4.06Å; F465-L481 HydrophobicContact CZ-CB 4.17Å; F479-L481 HydrophobicContact CE1-CD2 4.19Å; F479-L481 HydrophobicContact CZ-CD2 4.32Å; L481-L483 HydrophobicContact CD2-CD2 3.92Å; L481-L483 HydrophobicContact CG-CD2 4.05Å; L481-L483 PolarHBondContact O-N 3.15Å; L481-L483 VanDerWaalsContact O-N 3.08Å; L481-L506 HydrophobicContact CB-CB 4.28Å; L481-L506 HydrophobicContact CD1-CD2 4.3Å; L481-L506 PolarHBondContact N-O 3.24Å; L481-L506 WeakPolarHBondContact O-CB 3.23Å; L481-L506 PolarHBondContact O-N 3.23Å; L481-I508 HydrophobicContact CD1-CD1 3.56Å; L481-I508 HydrophobicContact CD1-CG1 3.8Å; L481-I508 HydrophobicContact CD2-CD1 4.08Å; L481-I508 HydrophobicContact CG-CD1 3.6Å; L481-I508 HydrophobicContact CG-CG1 3.79Å; L481-L564 HydrophobicContact CD1-CD2 3.76Å; L481-L564 HydrophobicContact CD2-CD2 4.02Å; L481-L568 HydrophobicContact CD1-CD1 4.16Å; L481-L568 HydrophobicContact CD2-CD1 3.81Å
482	R	66.5	Low	60.9	Low	84 Å²	84	66.2 Å²	66.2	32%	0.317	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	109.9	173.2	-168.6	173.9	-120.2	166.2	2.7	109.5	E449 N451 N480 R484 E503 F504 D505	E449-R482 HydrophobicContact CB-CB 4.28Å; E449-R482 PolarHBondContact N-O 3.42Å; E449-R482 WeakPolarHBondContact O-CA 3.26Å; E449-R482 WeakPolarHBondContact O-CB 3.44Å; E449-R482 PolarHBondContact O-N 2.87Å; E449-R482 VanDerWaalsContact OE2-CD 3.3Å; E449-R482 WeakPolarHBondContact OE2-CD 2.97Å; E449-R482 IonicContact OE2-NE 2.77Å; N451-R482 HydrophobicContact CB-CB 4.36Å; N451-R482 PolarHBondContact ND2-NH2 2.85Å; N451-R482 PolarHBondContact OD1-NH2 3.31Å; N480-R482 PolarHBondContact O-N 3.3Å; R482-R484 HydrophobicContact CG-CG 4.26Å; R482-E503 WeakPolarHBondContact CD-OE2 2.94Å; R482-E503 HydrophobicContact CG-CB 4.05Å; R482-E503 IonicContact CZ-OE2 3.12Å; R482-E503 VanDerWaalsContact CZ-OE2 3.31Å; R482-E503 IonicContact NE-OE2 3.14Å; R482-E503 PolarHBondContact NE-OE2 3.14Å; R482-E503 IonicContact NH1-OE1 3Å; R482-E503 IonicContact NH1-OE2 3.73Å; R482-E503 PolarHBondContact NH1-OE2 3.14Å; R482-E503 IonicContact NH2-OE2 3.73Å; R482-E503 PolarHBondContact NH2-OE2 3.33Å; R482-F504 CarbonylContact C-O 3.59Å; R482-F504 WeakPolarHBondContact CA-O 3.46Å; R482-D505 VanDerWaalsContact CB-OD1 3.31Å; R482-D505 WeakPolarHBondContact CB-OD1 3.1Å; R482-D505 WeakPolarHBondContact CG-OD1 3.41Å; R482-D505 IonicContact NH1-OD1 3.91Å
483	L	66.3	Low	60.9	Low	2.5 Å²	2.5	65.4 Å²	65.4	1%	0.013	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.4	173	-54.3	-175.2	0	0	0	108.5	V446 E447 V448 L481 F485 E503 F504 L506 I557 M561 L564	V446-L483 HydrophobicContact CG1-CB 4.06Å; V446-L483 HydrophobicContact CG1-CD1 3.89Å; V446-L483 HydrophobicContact CG1-CD2 3.99Å; V446-L483 HydrophobicContact CG1-CG 4.35Å; E447-L483 CarbonylContact O-C 3.56Å; E447-L483 WeakPolarHBondContact O-CA 3.4Å; V448-L483 HydrophobicContact CB-CD2 4.37Å; V448-L483 HydrophobicContact CG1-CD2 4.13Å; V448-L483 HydrophobicContact CG2-CD2 3.87Å; L481-L483 HydrophobicContact CD2-CD2 3.92Å; L481-L483 HydrophobicContact CG-CD2 4.05Å; L481-L483 PolarHBondContact O-N 3.15Å; L481-L483 VanDerWaalsContact O-N 3.08Å; L483-F485 HydrophobicContact CB-CD2 4.37Å; L483-F485 HydrophobicContact CB-CE2 3.94Å; L483-F485 HydrophobicContact CD1-CE2 4.16Å; L483-F485 HydrophobicContact CD1-CZ 4.22Å; L483-E503 CarbonylContact O-C 3.12Å; L483-E503 WeakPolarHBondContact O-CA 3.47Å; L483-F504 HydrophobicContact CB-CB 4.19Å; L483-F504 HydrophobicContact CB-CD2 4.43Å; L483-F504 HydrophobicContact CB-CE2 4.22Å; L483-F504 HydrophobicContact CB-CZ 4.34Å; L483-F504 HydrophobicContact CD1-CB 4.49Å; L483-F504 HydrophobicContact CD1-CE2 3.82Å; L483-F504 HydrophobicContact CD1-CZ 4.01Å; L483-F504 HydrophobicContact CG-CE2 4.26Å; L483-F504 PolarHBondContact N-O 3.07Å; L483-F504 PolarHBondContact O-N 2.95Å; L483-F504 VanDerWaalsContact O-N 3.13Å; L483-L506 HydrophobicContact CD1-CB 4.28Å; L483-L506 HydrophobicContact CD1-CD2 4.28Å; L483-L506 HydrophobicContact CG-CB 4.26Å; L483-I557 HydrophobicContact CD1-CG2 4.15Å; L483-M561 HydrophobicContact CD1-CG 4.18Å; L483-L564 HydrophobicContact CD1-CD2 4.2Å; L483-L564 HydrophobicContact CD2-CD2 3.75Å
484	R	64.3	Low	61.1	Low	56 Å²	56	57.1 Å²	57.1	21%	0.211	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.1	172.2	-51	-162.7	-168.5	-148.8	15.4	110.5	E447 E449 R482 L502 E503	E447-R484 WeakPolarHBondContact CA-O 3.47Å; E447-R484 HydrophobicContact CB-CB 4.28Å; E447-R484 WeakPolarHBondContact CB-O 3.44Å; E447-R484 PolarHBondContact N-O 3.19Å; E447-R484 PolarHBondContact O-N 3.01Å; E449-R484 VanDerWaalsContact CD-CZ 3.45Å; E449-R484 HydrophobicContact CG-CG 4.12Å; E449-R484 IonicContact OE1-CZ 2.81Å; E449-R484 IonicContact OE1-NE 3.41Å; E449-R484 PolarHBondContact OE1-NE 2.81Å; E449-R484 IonicContact OE1-NH2 3.65Å; E449-R484 PolarHBondContact OE1-NH2 2.97Å; E449-R484 IonicContact OE2-CZ 3.15Å; E449-R484 VanDerWaalsContact OE2-CZ 3.25Å; E449-R484 IonicContact OE2-NE 3.19Å; E449-R484 PolarHBondContact OE2-NE 3.12Å; E449-R484 IonicContact OE2-NH2 3.34Å; E449-R484 PolarHBondContact OE2-NH2 3.18Å; R482-R484 HydrophobicContact CG-CG 4.26Å; R484-L502 CarbonylContact C-O 3.53Å; R484-L502 WeakPolarHBondContact CA-O 3.4Å; R484-E503 HydrophobicContact CB-CG 4.44Å; R484-E503 WeakPolarHBondContact CD-OE1 3.27Å; R484-E503 HydrophobicContact CG-CG 4.04Å; R484-E503 VanDerWaalsContact CZ-CD 3.45Å; R484-E503 IonicContact CZ-OE1 3.29Å; R484-E503 IonicContact CZ-OE2 3.31Å; R484-E503 VanDerWaalsContact CZ-OE2 3.27Å; R484-E503 IonicContact NE-OE1 3.21Å; R484-E503 PolarHBondContact NE-OE1 3.42Å; R484-E503 IonicContact NE-OE2 2.86Å; R484-E503 PolarHBondContact NE-OE2 3.41Å; R484-E503 IonicContact NH1-OE1 3.25Å; R484-E503 PolarHBondContact NH1-OE1 3.09Å; R484-E503 IonicContact NH1-OE2 2.81Å; R484-E503 IonicContact NH2-OE2 2.8Å
485	F	64.7	Low	61.1	Low	0.5 Å²	0.5	56 Å²	56	0%	0.002	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124.2	177.4	-67.2	-102.7	0	0	0	110	L444 V446 L483 M490 S501 L502 F504 L553 I557 M561	L444-F485 HydrophobicContact CB-CB 3.99Å; L444-F485 HydrophobicContact CB-CD1 3.79Å; L444-F485 HydrophobicContact CB-CE1 4.4Å; L444-F485 HydrophobicContact CB-CG 4.4Å; L444-F485 HydrophobicContact CD1-CB 3.72Å; L444-F485 HydrophobicContact CD1-CD1 4.25Å; L444-F485 HydrophobicContact CD1-CG 4.39Å; L444-F485 HydrophobicContact CD2-CB 3.96Å; L444-F485 HydrophobicContact CG-CB 4.13Å; V446-F485 HydrophobicContact CB-CE1 4.21Å; V446-F485 HydrophobicContact CB-CZ 4.19Å; V446-F485 HydrophobicContact CG1-CD2 4.39Å; V446-F485 HydrophobicContact CG1-CE1 4.13Å; V446-F485 HydrophobicContact CG1-CE2 3.65Å; V446-F485 HydrophobicContact CG1-CZ 3.99Å; V446-F485 VanDerWaalsContact CG1-CZ 3.48Å; V446-F485 HydrophobicContact CG2-CD1 4.23Å; V446-F485 HydrophobicContact CG2-CE1 3.32Å; V446-F485 HydrophobicContact CG2-CE2 4.38Å; V446-F485 HydrophobicContact CG2-CZ 3.41Å; L483-F485 HydrophobicContact CB-CD2 4.37Å; L483-F485 HydrophobicContact CB-CE2 3.94Å; L483-F485 HydrophobicContact CD1-CE2 4.16Å; L483-F485 HydrophobicContact CD1-CZ 4.22Å; F485-M490 HydrophobicContact CB-CE 4.47Å; F485-S501 WeakPolarHBondContact O-CA 3.47Å; F485-S501 WeakPolarHBondContact O-CB 3.33Å; F485-L502 HydrophobicContact CB-CB 3.96Å; F485-L502 WeakPolarHBondContact CD2-O 3.32Å; F485-L502 PolarHBondContact N-O 3.02Å; F485-L502 PolarHBondContact O-N 3.15Å; F485-L502 VanDerWaalsContact O-N 3.11Å; F485-F504 AromaticContact CD2-CD2 3.83Å; F485-F504 HydrophobicContact CD2-CD2 3.83Å; F485-F504 AromaticContact CD2-CE1 3.93Å; F485-F504 HydrophobicContact CD2-CE1 3.93Å; F485-F504 AromaticContact CD2-CE2 3.6Å; F485-F504 HydrophobicContact CD2-CE2 3.6Å; F485-F504 HydrophobicContact CD2-CZ 4.43Å; F485-F504 HydrophobicContact CE2-CD1 4.2Å; F485-F504 AromaticContact CE2-CD2 3.72Å; F485-F504 HydrophobicContact CE2-CD2 3.72Å; F485-F504 AromaticContact CE2-CE1 3.22Å; F485-F504 HydrophobicContact CE2-CE1 3.22Å; F485-F504 AromaticContact CE2-CE2 3.63Å; F485-F504 HydrophobicContact CE2-CE2 4.01Å; F485-F504 AromaticContact CE2-CZ 3.34Å; F485-F504 HydrophobicContact CE2-CZ 3.34Å; F485-F504 AromaticContact CZ-CE1 3.86Å; F485-F504 HydrophobicContact CZ-CE1 3.86Å; F485-F504 AromaticContact CZ-CZ 3.68Å; F485-F504 HydrophobicContact CZ-CZ 3.68Å; F485-L553 HydrophobicContact CD1-CD1 3.23Å; F485-L553 HydrophobicContact CD2-CD1 3.9Å; F485-L553 HydrophobicContact CE1-CD1 3.1Å; F485-L553 HydrophobicContact CE1-CG 4.43Å; F485-L553 HydrophobicContact CE2-CD1 3.82Å; F485-L553 HydrophobicContact CG-CD1 3.62Å; F485-L553 HydrophobicContact CZ-CD1 3.43Å; F485-L553 VanDerWaalsContact CZ-CD1 3.43Å; F485-L553 HydrophobicContact CZ-CG 4.44Å; F485-I557 HydrophobicContact CD1-CG1 3.85Å; F485-I557 HydrophobicContact CE1-CB 4.08Å; F485-I557 HydrophobicContact CE1-CG1 3.66Å; F485-I557 HydrophobicContact CE1-CG2 4.03Å; F485-I557 HydrophobicContact CE2-CD1 3.88Å; F485-I557 HydrophobicContact CE2-CG1 3.98Å; F485-I557 HydrophobicContact CZ-CB 4.4Å; F485-I557 HydrophobicContact CZ-CD1 3.81Å; F485-I557 HydrophobicContact CZ-CG1 3.86Å; F485-I557 VanDerWaalsContact CZ-CG1 3.48Å; F485-I557 HydrophobicContact CZ-CG2 3.83Å; F485-M561 HydrophobicContact CZ-CG 4.39Å
486	R	61.6	Low	61.2	Low	110.5 Å²	110.5	54.2 Å²	54.2	42%	0.417	27%	0.266	S	S	.	.			trans	-121.8	67.5	-177.2	-68	-176	174.6	135.7	-4.8	113.3	E447 K488 S501	E447-R486 IonicContact OE1-CZ 3.24Å; E447-R486 IonicContact OE1-NE 2.62Å; E447-R486 IonicContact OE1-NH1 2.72Å; E447-R486 PolarHBondContact OE1-NH1 3.01Å; E447-R486 VanDerWaalsContact OE2-CD 3.31Å; E447-R486 WeakPolarHBondContact OE2-CD 3.35Å; E447-R486 IonicContact OE2-CZ 3.1Å; E447-R486 IonicContact OE2-NE 2.69Å; E447-R486 IonicContact OE2-NH1 2.96Å; E447-R486 PolarHBondContact OE2-NH1 2.85Å; E447-R486 IonicContact OE2-NH2 3.43Å; R486-K488 PolarHBondContact O-N 3.48Å; R486-S501 PolarHBondContact NE-OG 3.41Å; R486-S501 VanDerWaalsContact NE-OG 3.13Å
487	D	60.5	Low	61.4	Low	28.5 Å²	28.5	56.5 Å²	56.5	15%	0.152	28%	0.279	C	S	.	.			trans	-100.3	96.3	169.6	175.3	-12.3	0	0	0	107.4	L444 K489 M490 L491	L444-D487 HydrophobicContact CD2-CB 3.24Å; L444-D487 VanDerWaalsContact CD2-OD2 3.29Å; L444-D487 WeakPolarHBondContact CD2-OD2 3.49Å; L444-D487 HydrophobicContact CG-CB 3.99Å; D487-K489 VanDerWaalsContact C-N 3.25Å; D487-K489 PolarHBondContact O-N 3.15Å; D487-K489 WeakPolarHBondContact OD1-CA 3.43Å; D487-K489 WeakPolarHBondContact OD1-CB 3.25Å; D487-K489 PolarHBondContact OD1-N 3.11Å; D487-M490 HydrophobicContact CB-CB 3.99Å; D487-M490 PolarHBondContact O-N 3.21Å; D487-M490 WeakPolarHBondContact OD1-CB 3.35Å; D487-M490 PolarHBondContact OD1-N 3.07Å; D487-M490 VanDerWaalsContact OD2-CB 3.25Å; D487-M490 WeakPolarHBondContact OD2-CB 3.16Å; D487-M490 PolarHBondContact OD2-N 2.69Å; D487-L491 WeakPolarHBondContact O-CB 3.34Å; D487-L491 WeakPolarHBondContact O-CD1 3.47Å; D487-L491 WeakPolarHBondContact O-CG 3.36Å; D487-L491 PolarHBondContact O-N 3.19Å
488	K	59.4	Low	61.3	Low	115 Å²	115	57.9 Å²	57.9	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-54.7	-35.7	-177.3	-117	-176.8	-179.6	146.2	0	112.6	R486 L491 Q492 D498	R486-K488 PolarHBondContact O-N 3.48Å; K488-L491 PolarHBondContact O-N 2.86Å; K488-Q492 VanDerWaalsContact O-CB 3.28Å; K488-Q492 WeakPolarHBondContact O-CB 3.34Å; K488-Q492 WeakPolarHBondContact O-CG 3.41Å; K488-Q492 PolarHBondContact O-N 3.11Å; K488-Q492 VanDerWaalsContact O-N 3.12Å; K488-D498 VanDerWaalsContact CE-CG 3.44Å; K488-D498 WeakPolarHBondContact CE-OD1 3.39Å; K488-D498 VanDerWaalsContact CE-OD2 3.25Å; K488-D498 WeakPolarHBondContact CE-OD2 3.43Å; K488-D498 IonicContact NZ-OD1 3.45Å; K488-D498 PolarHBondContact NZ-OD1 2.79Å; K488-D498 IonicContact NZ-OD2 2.68Å; K488-D498 PolarHBondContact NZ-OD2 2.64Å
489	K	58.7	Low	61.3	Low	91.5 Å²	91.5	55.2 Å²	55.2	40%	0.398	28%	0.284	S	S	.	.	H	α-helix	trans	-73.3	-44.5	178.9	-174.5	178.5	-178.8	-146.7	0	111.4	D487 L491 Q492 E493	D487-K489 VanDerWaalsContact C-N 3.25Å; D487-K489 PolarHBondContact O-N 3.15Å; D487-K489 WeakPolarHBondContact OD1-CA 3.43Å; D487-K489 WeakPolarHBondContact OD1-CB 3.25Å; D487-K489 PolarHBondContact OD1-N 3.11Å; K489-L491 VanDerWaalsContact C-N 3.27Å; K489-L491 PolarHBondContact O-N 3.04Å; K489-Q492 PolarHBondContact O-N 3.2Å; K489-E493 WeakPolarHBondContact CE-OE1 3.26Å; K489-E493 HydrophobicContact CG-CG 4.3Å; K489-E493 VanDerWaalsContact CG-OE1 3.27Å; K489-E493 WeakPolarHBondContact CG-OE1 3.48Å; K489-E493 IonicContact NZ-OE1 2.59Å; K489-E493 PolarHBondContact NZ-OE1 3.33Å; K489-E493 VanDerWaalsContact O-CB 3.29Å; K489-E493 WeakPolarHBondContact O-CB 3.48Å; K489-E493 WeakPolarHBondContact O-CG 3.45Å; K489-E493 PolarHBondContact O-N 3.24Å
490	M	59.6	Low	61.4	Low	15.5 Å²	15.5	57.1 Å²	57.1	8%	0.076	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-38.6	175.4	-172.3	175.9	131	0	0	111.5	L444 F485 D487 Q492 E493 L494 L502 H549 L550 L553	L444-M490 HydrophobicContact CD1-SD 3.99Å; F485-M490 HydrophobicContact CB-CE 4.47Å; D487-M490 HydrophobicContact CB-CB 3.99Å; D487-M490 PolarHBondContact O-N 3.21Å; D487-M490 WeakPolarHBondContact OD1-CB 3.35Å; D487-M490 PolarHBondContact OD1-N 3.07Å; D487-M490 VanDerWaalsContact OD2-CB 3.25Å; D487-M490 WeakPolarHBondContact OD2-CB 3.16Å; D487-M490 PolarHBondContact OD2-N 2.69Å; M490-Q492 VanDerWaalsContact C-N 3.33Å; M490-Q492 PolarHBondContact O-N 2.77Å; M490-E493 PolarHBondContact O-N 2.98Å; M490-L494 HydrophobicContact CE-CD1 4.25Å; M490-L494 HydrophobicContact CE-CD2 4.4Å; M490-L494 HydrophobicContact CE-CG 4.27Å; M490-L494 HydrophobicContact CG-CD1 4.15Å; M490-L494 HydrophobicContact CG-CG 4.31Å; M490-L494 VanDerWaalsContact O-CB 3.27Å; M490-L494 WeakPolarHBondContact O-CB 3.38Å; M490-L494 WeakPolarHBondContact O-CD1 3.35Å; M490-L494 VanDerWaalsContact O-CG 3.3Å; M490-L494 WeakPolarHBondContact O-CG 3.27Å; M490-L494 PolarHBondContact O-N 3.24Å; M490-L502 HydrophobicContact CE-CD2 4.48Å; M490-H549 HydrophobicContact CE-CB 3.89Å; M490-H549 HydrophobicContact CG-CB 3.84Å; M490-H549 HydrophobicContact SD-CB 4.26Å; M490-L550 HydrophobicContact CE-CD2 4.48Å; M490-L553 HydrophobicContact CE-CB 3.68Å; M490-L553 HydrophobicContact CE-CD1 4.01Å; M490-L553 HydrophobicContact CE-CD2 3.87Å; M490-L553 HydrophobicContact CE-CG 4.17Å; M490-L553 HydrophobicContact SD-CB 4.04Å; M490-L553 HydrophobicContact SD-CD1 4.12Å; M490-L553 HydrophobicContact SD-CD2 4.17Å; M490-L553 HydrophobicContact SD-CG 4.18Å
491	L	63	Low	61.4	Low	7.5 Å²	7.5	56.4 Å²	56.4	4%	0.039	29%	0.292	C	S	.	.	H	α-helix	trans	-61.3	-48.2	174	-68.4	164.1	0	0	0	111.2	D487 K488 K489 E493 L494 G495 L496 E500 L502	D487-L491 WeakPolarHBondContact O-CB 3.34Å; D487-L491 WeakPolarHBondContact O-CD1 3.47Å; D487-L491 WeakPolarHBondContact O-CG 3.36Å; D487-L491 PolarHBondContact O-N 3.19Å; K488-L491 PolarHBondContact O-N 2.86Å; K489-L491 VanDerWaalsContact C-N 3.27Å; K489-L491 PolarHBondContact O-N 3.04Å; L491-E493 PolarHBondContact O-N 3.3Å; L491-L494 CarbonylContact O-C 3.59Å; L491-L494 VanDerWaalsContact O-C 3.32Å; L491-L494 WeakPolarHBondContact O-CA 3.21Å; L491-L494 WeakPolarHBondContact O-CB 3.39Å; L491-L494 PolarHBondContact O-N 3.07Å; L491-L494 VanDerWaalsContact O-N 3.12Å; L491-G495 PolarHBondContact O-N 2.92Å; L491-L496 CarbonylContact C-O 3.57Å; L491-L496 HydrophobicContact CB-CB 4.25Å; L491-L496 HydrophobicContact CD2-CB 4.18Å; L491-L496 HydrophobicContact CD2-CD1 3.71Å; L491-L496 PolarHBondContact O-N 3.16Å; L491-E500 VanDerWaalsContact CD1-O 3.24Å; L491-E500 WeakPolarHBondContact CD1-O 3.42Å; L491-L502 HydrophobicContact CD2-CD1 3.51Å
492	Q	63.3	Low	61.2	Low	103 Å²	103	56.2 Å²	56.2	48%	0.481	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-40.2	175.6	-72.7	170.6	8.2	0	0	113	K488 K489 M490 L494 G495 D498	K488-Q492 VanDerWaalsContact O-CB 3.28Å; K488-Q492 WeakPolarHBondContact O-CB 3.34Å; K488-Q492 WeakPolarHBondContact O-CG 3.41Å; K488-Q492 PolarHBondContact O-N 3.11Å; K488-Q492 VanDerWaalsContact O-N 3.12Å; K489-Q492 PolarHBondContact O-N 3.2Å; M490-Q492 VanDerWaalsContact C-N 3.33Å; M490-Q492 PolarHBondContact O-N 2.77Å; Q492-L494 VanDerWaalsContact C-N 3.26Å; Q492-L494 PolarHBondContact O-N 2.92Å; Q492-G495 WeakPolarHBondContact O-CA 3.43Å; Q492-G495 PolarHBondContact O-N 3.44Å; Q492-G495 VanDerWaalsContact O-N 3.08Å; Q492-D498 PolarHBondContact NE2-OD1 3.08Å; Q492-D498 PolarHBondContact NE2-OD2 2.63Å
493	E	62.3	Low	61.2	Low	79.5 Å²	79.5	54.6 Å²	54.6	37%	0.371	29%	0.287	S	S	.	.	H	α-helix	trans	-68.3	-21.7	173.1	-73.9	-174.7	-148	0	0	112.7	K489 M490 L491 P541 V545 H549	K489-E493 WeakPolarHBondContact CE-OE1 3.26Å; K489-E493 HydrophobicContact CG-CG 4.3Å; K489-E493 VanDerWaalsContact CG-OE1 3.27Å; K489-E493 WeakPolarHBondContact CG-OE1 3.48Å; K489-E493 IonicContact NZ-OE1 2.59Å; K489-E493 PolarHBondContact NZ-OE1 3.33Å; K489-E493 VanDerWaalsContact O-CB 3.29Å; K489-E493 WeakPolarHBondContact O-CB 3.48Å; K489-E493 WeakPolarHBondContact O-CG 3.45Å; K489-E493 PolarHBondContact O-N 3.24Å; M490-E493 PolarHBondContact O-N 2.98Å; L491-E493 PolarHBondContact O-N 3.3Å; E493-P541 WeakPolarHBondContact O-CB 3.41Å; E493-V545 HydrophobicContact CB-CG1 4.35Å; E493-H549 IonicContact OE2-CE1 3.11Å; E493-H549 PolarHBondContact OE2-CE1 2.94Å; E493-H549 VanDerWaalsContact OE2-CE1 3.23Å; E493-H549 IonicContact OE2-ND1 3.23Å; E493-H549 PolarHBondContact OE2-ND1 3.3Å; E493-H549 IonicContact OE2-NE2 3.18Å
494	L	61.3	Low	61.2	Low	3.5 Å²	3.5	55.1 Å²	55.1	2%	0.018	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.7	168.7	-70.6	174.9	0	0	0	113.1	M490 L491 Q492 L496 L502 L531 F535 V546 L550 L553	M490-L494 HydrophobicContact CE-CD1 4.25Å; M490-L494 HydrophobicContact CE-CD2 4.4Å; M490-L494 HydrophobicContact CE-CG 4.27Å; M490-L494 HydrophobicContact CG-CD1 4.15Å; M490-L494 HydrophobicContact CG-CG 4.31Å; M490-L494 VanDerWaalsContact O-CB 3.27Å; M490-L494 WeakPolarHBondContact O-CB 3.38Å; M490-L494 WeakPolarHBondContact O-CD1 3.35Å; M490-L494 VanDerWaalsContact O-CG 3.3Å; M490-L494 WeakPolarHBondContact O-CG 3.27Å; M490-L494 PolarHBondContact O-N 3.24Å; L491-L494 CarbonylContact O-C 3.59Å; L491-L494 VanDerWaalsContact O-C 3.32Å; L491-L494 WeakPolarHBondContact O-CA 3.21Å; L491-L494 WeakPolarHBondContact O-CB 3.39Å; L491-L494 PolarHBondContact O-N 3.07Å; L491-L494 VanDerWaalsContact O-N 3.12Å; Q492-L494 VanDerWaalsContact C-N 3.26Å; Q492-L494 PolarHBondContact O-N 2.92Å; L494-L496 VanDerWaalsContact C-N 3.33Å; L494-L496 HydrophobicContact CB-CD1 4.27Å; L494-L496 HydrophobicContact CB-CG 4.34Å; L494-L496 HydrophobicContact CD1-CD1 4.45Å; L494-L502 HydrophobicContact CD1-CD1 3.99Å; L494-L502 HydrophobicContact CD1-CD2 4.35Å; L494-L531 HydrophobicContact CB-CD2 3.9Å; L494-L531 HydrophobicContact CD2-CD1 3.96Å; L494-L531 HydrophobicContact CD2-CD2 4.05Å; L494-L531 HydrophobicContact CG-CD2 4.45Å; L494-L531 WeakPolarHBondContact O-CD2 3.48Å; L494-F535 WeakPolarHBondContact O-CE1 3.34Å; L494-F535 VanDerWaalsContact O-CE2 3.27Å; L494-F535 WeakPolarHBondContact O-CE2 3.38Å; L494-F535 WeakPolarHBondContact O-CZ 3.29Å; L494-V546 HydrophobicContact CD2-CB 4.32Å; L494-V546 HydrophobicContact CD2-CG1 4.05Å; L494-V546 HydrophobicContact CD2-CG2 4.09Å; L494-L550 HydrophobicContact CD1-CD2 4.24Å; L494-L550 HydrophobicContact CD2-CD2 3.9Å; L494-L553 HydrophobicContact CD1-CD2 4.49Å
495	G	61.1	Low	61.3	Low	42.5 Å²	42.5	56.1 Å²	56.1	44%	0.438	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	23.2	-179.2	0	0	0	0	0	115	L491 Q492	L491-G495 PolarHBondContact O-N 2.92Å; Q492-G495 WeakPolarHBondContact O-CA 3.43Å; Q492-G495 PolarHBondContact O-N 3.44Å; Q492-G495 VanDerWaalsContact O-N 3.08Å
496	L	61.3	Low	61.5	Low	23.5 Å²	23.5	56.1 Å²	56.1	12%	0.123	30%	0.299	C	S	.	.			trans	-95.1	147	174.8	-59.7	171.4	0	0	0	110.2	L491 L494 E500 L502 Y527	L491-L496 CarbonylContact C-O 3.57Å; L491-L496 HydrophobicContact CB-CB 4.25Å; L491-L496 HydrophobicContact CD2-CB 4.18Å; L491-L496 HydrophobicContact CD2-CD1 3.71Å; L491-L496 PolarHBondContact O-N 3.16Å; L494-L496 VanDerWaalsContact C-N 3.33Å; L494-L496 HydrophobicContact CB-CD1 4.27Å; L494-L496 HydrophobicContact CB-CG 4.34Å; L494-L496 HydrophobicContact CD1-CD1 4.45Å; L496-E500 WeakPolarHBondContact CA-OE2 3.47Å; L496-E500 HydrophobicContact CB-CB 4.48Å; L496-E500 WeakPolarHBondContact CB-OE2 3.4Å; L496-E500 WeakPolarHBondContact CD2-OE2 3.33Å; L496-L502 HydrophobicContact CD1-CD1 3.36Å; L496-Y527 HydrophobicContact CD1-CE1 4.21Å
497	D	60.7	Low	61.7	Low	125.5 Å²	125.5	51.8 Å²	51.8	67%	0.671	28%	0.284	S	S	*	.			trans	-76	156.2	-172.7	-84.7	-37.5	0	0	0	113.3	G499 E500	D497-G499 PolarHBondContact O-N 2.95Å; D497-E500 HydrophobicContact CB-CG 4.42Å; D497-E500 PolarHBondContact N-OE2 3.21Å; D497-E500 PolarHBondContact O-N 2.99Å
498	D	54.1	Low	62	Low	104 Å²	104	50.8 Å²	50.8	56%	0.556	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	48.5	-176.1	-96.7	-12.1	0	0	0	114.3	K488 Q492	K488-D498 VanDerWaalsContact CE-CG 3.44Å; K488-D498 WeakPolarHBondContact CE-OD1 3.39Å; K488-D498 VanDerWaalsContact CE-OD2 3.25Å; K488-D498 WeakPolarHBondContact CE-OD2 3.43Å; K488-D498 IonicContact NZ-OD1 3.45Å; K488-D498 PolarHBondContact NZ-OD1 2.79Å; K488-D498 IonicContact NZ-OD2 2.68Å; K488-D498 PolarHBondContact NZ-OD2 2.64Å; Q492-D498 PolarHBondContact NE2-OD1 3.08Å; Q492-D498 PolarHBondContact NE2-OD2 2.63Å
499	G	52.7	Low	62.2	Low	70 Å²	70	46 Å²	46	72%	0.722	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	179.5	-10.9	179.8	0	0	0	0	0	114.6	D497	D497-G499 PolarHBondContact O-N 2.95Å
500	E	59.4	Low	62.5	Low	94.5 Å²	94.5	46.2 Å²	46.2	44%	0.442	26%	0.258	S	S	.	.			trans	-67.3	154	170.5	-65.1	-155.1	126.1	0	0	110.8	L491 L496 D497	L491-E500 VanDerWaalsContact CD1-O 3.24Å; L491-E500 WeakPolarHBondContact CD1-O 3.42Å; L496-E500 WeakPolarHBondContact CA-OE2 3.47Å; L496-E500 HydrophobicContact CB-CB 4.48Å; L496-E500 WeakPolarHBondContact CB-OE2 3.4Å; L496-E500 WeakPolarHBondContact CD2-OE2 3.33Å; D497-E500 HydrophobicContact CB-CG 4.42Å; D497-E500 PolarHBondContact N-OE2 3.21Å; D497-E500 PolarHBondContact O-N 2.99Å
501	S	62.7	Low	62.4	Low	20.5 Å²	20.5	45.7 Å²	45.7	14%	0.143	26%	0.256	C	S	.	.			trans	-134.9	145.1	175.9	-0.3	0	0	0	0	110.3	F485 R486 E503	F485-S501 WeakPolarHBondContact O-CA 3.47Å; F485-S501 WeakPolarHBondContact O-CB 3.33Å; R486-S501 PolarHBondContact NE-OG 3.41Å; R486-S501 VanDerWaalsContact NE-OG 3.13Å; S501-E503 PolarHBondContact O-N 3.24Å
502	L	62.1	Low	62.1	Low	3 Å²	3	48.5 Å²	48.5	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	108.8	169.2	-101.5	113.9	0	0	0	107.9	L444 R484 F485 M490 L491 L494 L496 F504 Y527 L553	L444-L502 HydrophobicContact CD1-CD1 4Å; R484-L502 CarbonylContact C-O 3.53Å; R484-L502 WeakPolarHBondContact CA-O 3.4Å; F485-L502 HydrophobicContact CB-CB 3.96Å; F485-L502 WeakPolarHBondContact CD2-O 3.32Å; F485-L502 PolarHBondContact N-O 3.02Å; F485-L502 PolarHBondContact O-N 3.15Å; F485-L502 VanDerWaalsContact O-N 3.11Å; M490-L502 HydrophobicContact CE-CD2 4.48Å; L491-L502 HydrophobicContact CD2-CD1 3.51Å; L494-L502 HydrophobicContact CD1-CD1 3.99Å; L494-L502 HydrophobicContact CD1-CD2 4.35Å; L496-L502 HydrophobicContact CD1-CD1 3.36Å; L502-F504 HydrophobicContact CB-CE2 3.99Å; L502-F504 HydrophobicContact CB-CZ 4.47Å; L502-F504 HydrophobicContact CD2-CE2 4.19Å; L502-F504 HydrophobicContact CD2-CZ 3.87Å; L502-Y527 HydrophobicContact CD2-CD1 4.18Å; L502-Y527 HydrophobicContact CD2-CD2 3.82Å; L502-Y527 HydrophobicContact CD2-CE1 3.79Å; L502-Y527 HydrophobicContact CD2-CE2 3.41Å; L502-Y527 VanDerWaalsContact CD2-CE2 3.41Å; L502-Y527 HydrophobicContact CD2-CG 4.2Å; L502-Y527 VanDerWaalsContact CD2-CZ 3.4Å; L502-Y527 HydrophobicContact CG-CE1 3.87Å; L502-Y527 HydrophobicContact CG-CE2 4.31Å; L502-L553 HydrophobicContact CD1-CD1 4.3Å; L502-L553 HydrophobicContact CD1-CD2 4.2Å; L502-L553 HydrophobicContact CD2-CD2 3.67Å
503	E	66.2	Low	61.9	Low	50 Å²	50	48.9 Å²	48.9	23%	0.234	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.7	-177	-54.2	-167.6	173.1	0	0	111.5	R482 L483 R484 S501 Y527	R482-E503 WeakPolarHBondContact CD-OE2 2.94Å; R482-E503 HydrophobicContact CG-CB 4.05Å; R482-E503 IonicContact CZ-OE2 3.12Å; R482-E503 VanDerWaalsContact CZ-OE2 3.31Å; R482-E503 IonicContact NE-OE2 3.14Å; R482-E503 PolarHBondContact NE-OE2 3.14Å; R482-E503 IonicContact NH1-OE1 3Å; R482-E503 IonicContact NH1-OE2 3.73Å; R482-E503 PolarHBondContact NH1-OE2 3.14Å; R482-E503 IonicContact NH2-OE2 3.73Å; R482-E503 PolarHBondContact NH2-OE2 3.33Å; L483-E503 CarbonylContact O-C 3.12Å; L483-E503 WeakPolarHBondContact O-CA 3.47Å; R484-E503 HydrophobicContact CB-CG 4.44Å; R484-E503 WeakPolarHBondContact CD-OE1 3.27Å; R484-E503 HydrophobicContact CG-CG 4.04Å; R484-E503 VanDerWaalsContact CZ-CD 3.45Å; R484-E503 IonicContact CZ-OE1 3.29Å; R484-E503 IonicContact CZ-OE2 3.31Å; R484-E503 VanDerWaalsContact CZ-OE2 3.27Å; R484-E503 IonicContact NE-OE1 3.21Å; R484-E503 PolarHBondContact NE-OE1 3.42Å; R484-E503 IonicContact NE-OE2 2.86Å; R484-E503 PolarHBondContact NE-OE2 3.41Å; R484-E503 IonicContact NH1-OE1 3.25Å; R484-E503 PolarHBondContact NH1-OE1 3.09Å; R484-E503 IonicContact NH1-OE2 2.81Å; R484-E503 IonicContact NH2-OE2 2.8Å; S501-E503 PolarHBondContact O-N 3.24Å; E503-Y527 PolarHBondContact N-OH 3.32Å; E503-Y527 WeakPolarHBondContact O-CE2 3.49Å; E503-Y527 PolarHBondContact O-OH 3.36Å
504	F	66.3	Low	61.6	Low	12 Å²	12	50.4 Å²	50.4	5%	0.053	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	139.8	171.6	1.6	-96.4	0	0	0	111.3	R482 L483 F485 L502 L506 L523 Y527 L553 F554 I557 M561	R482-F504 CarbonylContact C-O 3.59Å; R482-F504 WeakPolarHBondContact CA-O 3.46Å; L483-F504 HydrophobicContact CB-CB 4.19Å; L483-F504 HydrophobicContact CB-CD2 4.43Å; L483-F504 HydrophobicContact CB-CE2 4.22Å; L483-F504 HydrophobicContact CB-CZ 4.34Å; L483-F504 HydrophobicContact CD1-CB 4.49Å; L483-F504 HydrophobicContact CD1-CE2 3.82Å; L483-F504 HydrophobicContact CD1-CZ 4.01Å; L483-F504 HydrophobicContact CG-CE2 4.26Å; L483-F504 PolarHBondContact N-O 3.07Å; L483-F504 PolarHBondContact O-N 2.95Å; L483-F504 VanDerWaalsContact O-N 3.13Å; F485-F504 AromaticContact CD2-CD2 3.83Å; F485-F504 HydrophobicContact CD2-CD2 3.83Å; F485-F504 AromaticContact CD2-CE1 3.93Å; F485-F504 HydrophobicContact CD2-CE1 3.93Å; F485-F504 AromaticContact CD2-CE2 3.6Å; F485-F504 HydrophobicContact CD2-CE2 3.6Å; F485-F504 HydrophobicContact CD2-CZ 4.43Å; F485-F504 HydrophobicContact CE2-CD1 4.2Å; F485-F504 AromaticContact CE2-CD2 3.72Å; F485-F504 HydrophobicContact CE2-CD2 3.72Å; F485-F504 AromaticContact CE2-CE1 3.22Å; F485-F504 HydrophobicContact CE2-CE1 3.22Å; F485-F504 AromaticContact CE2-CE2 3.63Å; F485-F504 HydrophobicContact CE2-CE2 4.01Å; F485-F504 AromaticContact CE2-CZ 3.34Å; F485-F504 HydrophobicContact CE2-CZ 3.34Å; F485-F504 AromaticContact CZ-CE1 3.86Å; F485-F504 HydrophobicContact CZ-CE1 3.86Å; F485-F504 AromaticContact CZ-CZ 3.68Å; F485-F504 HydrophobicContact CZ-CZ 3.68Å; L502-F504 HydrophobicContact CB-CE2 3.99Å; L502-F504 HydrophobicContact CB-CZ 4.47Å; L502-F504 HydrophobicContact CD2-CE2 4.19Å; L502-F504 HydrophobicContact CD2-CZ 3.87Å; F504-L506 PolarHBondContact O-N 3.11Å; F504-L523 HydrophobicContact CB-CD1 4.5Å; F504-L523 HydrophobicContact CB-CD2 3.95Å; F504-L523 HydrophobicContact CD1-CD1 3.51Å; F504-L523 HydrophobicContact CD1-CD2 4.01Å; F504-L523 HydrophobicContact CD1-CG 4.44Å; F504-L523 HydrophobicContact CD2-CD1 4.42Å; F504-L523 HydrophobicContact CE1-CD1 3.68Å; F504-L523 HydrophobicContact CG-CD1 3.9Å; F504-L523 HydrophobicContact CG-CD2 4.21Å; F504-L523 HydrophobicContact CZ-CD1 4.23Å; F504-Y527 AromaticContact CD1-CD2 3.33Å; F504-Y527 HydrophobicContact CD1-CD2 3.33Å; F504-Y527 AromaticContact CD1-CE2 3.6Å; F504-Y527 HydrophobicContact CD1-CE2 3.6Å; F504-Y527 AromaticContact CD1-CG 3.94Å; F504-Y527 HydrophobicContact CD1-CG 3.94Å; F504-Y527 AromaticContact CE1-CD1 3.94Å; F504-Y527 HydrophobicContact CE1-CD1 3.94Å; F504-Y527 AromaticContact CE1-CD2 3.28Å; F504-Y527 HydrophobicContact CE1-CD2 3.28Å; F504-Y527 HydrophobicContact CE1-CE1 4.33Å; F504-Y527 AromaticContact CE1-CE2 3.71Å; F504-Y527 HydrophobicContact CE1-CE2 3.71Å; F504-Y527 AromaticContact CE1-CG 3.37Å; F504-Y527 HydrophobicContact CE1-CG 3.37Å; F504-Y527 HydrophobicContact CG-CD2 4.31Å; F504-Y527 HydrophobicContact CG-CE2 4.15Å; F504-Y527 HydrophobicContact CZ-CD1 4.29Å; F504-Y527 HydrophobicContact CZ-CD2 4.24Å; F504-Y527 HydrophobicContact CZ-CE1 4.44Å; F504-Y527 HydrophobicContact CZ-CE2 4.37Å; F504-Y527 HydrophobicContact CZ-CG 4.15Å; F504-L553 HydrophobicContact CE2-CD2 3.99Å; F504-L553 HydrophobicContact CE2-CG 4.44Å; F504-L553 HydrophobicContact CZ-CD2 3.63Å; F504-L553 HydrophobicContact CZ-CG 4.33Å; F504-F554 HydrophobicContact CD1-CE1 4.49Å; F504-F554 HydrophobicContact CD1-CZ 4.02Å; F504-F554 HydrophobicContact CE1-CE1 4.17Å; F504-F554 AromaticContact CE1-CE2 4Å; F504-F554 HydrophobicContact CE1-CE2 4Å; F504-F554 AromaticContact CE1-CZ 3.37Å; F504-F554 HydrophobicContact CE1-CZ 3.37Å; F504-F554 HydrophobicContact CZ-CE2 4.28Å; F504-F554 AromaticContact CZ-CZ 3.97Å; F504-F554 HydrophobicContact CZ-CZ 3.97Å; F504-I557 HydrophobicContact CD2-CD1 4.31Å; F504-I557 HydrophobicContact CE1-CG2 4.17Å; F504-I557 HydrophobicContact CE2-CD1 4.07Å; F504-I557 HydrophobicContact CZ-CD1 4.27Å; F504-I557 HydrophobicContact CZ-CG2 4.17Å; F504-M561 HydrophobicContact CE1-SD 4.46Å; F504-M561 HydrophobicContact CE2-CE 3.74Å; F504-M561 HydrophobicContact CE2-CG 4.4Å; F504-M561 HydrophobicContact CE2-SD 3.87Å; F504-M561 HydrophobicContact CZ-CE 3.95Å; F504-M561 HydrophobicContact CZ-CG 4.04Å; F504-M561 HydrophobicContact CZ-SD 3.43Å; F504-M561 WeakPolarHBondContact CZ-SD 3.46Å
505	D	66.6	Low	61.7	Low	77 Å²	77	54.8 Å²	54.8	41%	0.412	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	113.7	173.5	-69.4	-45.2	0	0	0	110.6	N451 N480 R482	N451-D505 PolarHBondContact ND2-OD1 3.07Å; N480-D505 HydrophobicContact CB-CB 3.94Å; R482-D505 VanDerWaalsContact CB-OD1 3.31Å; R482-D505 WeakPolarHBondContact CB-OD1 3.1Å; R482-D505 WeakPolarHBondContact CG-OD1 3.41Å; R482-D505 IonicContact NH1-OD1 3.91Å
506	L	67.9	Low	61.7	Low	2 Å²	2	53.7 Å²	53.7	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	110.7	174.7	172.9	68.3	0	0	0	110.5	N480 L481 L483 F504 I508 A511 L519 L523 M561 L564 V565	N480-L506 CarbonylContact C-O 3.5Å; N480-L506 WeakPolarHBondContact CA-O 3.48Å; L481-L506 HydrophobicContact CB-CB 4.28Å; L481-L506 HydrophobicContact CD1-CD2 4.3Å; L481-L506 PolarHBondContact N-O 3.24Å; L481-L506 WeakPolarHBondContact O-CB 3.23Å; L481-L506 PolarHBondContact O-N 3.23Å; L483-L506 HydrophobicContact CD1-CB 4.28Å; L483-L506 HydrophobicContact CD1-CD2 4.28Å; L483-L506 HydrophobicContact CG-CB 4.26Å; F504-L506 PolarHBondContact O-N 3.11Å; L506-I508 PolarHBondContact O-N 3.25Å; L506-A511 HydrophobicContact CD1-CB 3.64Å; L506-L519 HydrophobicContact CD1-CD2 3.9Å; L506-L519 HydrophobicContact CD1-CG 4.45Å; L506-L523 HydrophobicContact CD1-CD1 4.23Å; L506-M561 HydrophobicContact CD1-CE 3.69Å; L506-M561 HydrophobicContact CD1-SD 4.37Å; L506-M561 HydrophobicContact CD2-CE 3.8Å; L506-M561 HydrophobicContact CD2-CG 4.11Å; L506-M561 HydrophobicContact CD2-SD 3.93Å; L506-M561 HydrophobicContact CG-CE 4.34Å; L506-L564 HydrophobicContact CD2-CD2 4.5Å; L506-V565 HydrophobicContact CD1-CG2 4.38Å; L506-V565 HydrophobicContact CD2-CG2 4.01Å
507	D	66.9	Low	61.8	Low	19.5 Å²	19.5	55.6 Å²	55.6	10%	0.104	30%	0.303	C	S	.	.			trans	-79.7	107.8	166.2	-176	-34.3	0	0	0	109.6	N480 Y509 K510 A511 Y636	N480-D507 VanDerWaalsContact OD1-CA 3.31Å; N480-D507 WeakPolarHBondContact OD1-CA 3.47Å; N480-D507 VanDerWaalsContact OD1-CB 3.24Å; N480-D507 WeakPolarHBondContact OD1-CB 3.47Å; N480-D507 PolarHBondContact OD1-N 2.92Å; D507-Y509 VanDerWaalsContact C-N 3.27Å; D507-Y509 PolarHBondContact O-N 3.26Å; D507-Y509 WeakPolarHBondContact OD1-CA 3.48Å; D507-Y509 WeakPolarHBondContact OD1-CB 3.38Å; D507-Y509 PolarHBondContact OD1-N 2.99Å; D507-K510 HydrophobicContact CB-CB 4.11Å; D507-K510 HydrophobicContact CB-CD 4.06Å; D507-K510 HydrophobicContact CB-CG 4.14Å; D507-K510 PolarHBondContact O-N 2.97Å; D507-K510 VanDerWaalsContact O-N 3.17Å; D507-K510 PolarHBondContact OD1-N 3.07Å; D507-K510 VanDerWaalsContact OD2-CD 3.3Å; D507-K510 WeakPolarHBondContact OD2-CD 3.3Å; D507-K510 VanDerWaalsContact OD2-CE 3.24Å; D507-K510 WeakPolarHBondContact OD2-CE 3.42Å; D507-K510 WeakPolarHBondContact OD2-CG 3.38Å; D507-K510 IonicContact OD2-NZ 3.38Å; D507-K510 PolarHBondContact OD2-NZ 3.06Å; D507-A511 VanDerWaalsContact O-CB 3.22Å; D507-A511 WeakPolarHBondContact O-CB 3.25Å; D507-A511 PolarHBondContact O-N 3.02Å; D507-A511 VanDerWaalsContact O-N 3.08Å; D507-Y636 VanDerWaalsContact CG-OH 3.27Å; D507-Y636 VanDerWaalsContact OD1-CE1 3.27Å; D507-Y636 WeakPolarHBondContact OD1-CE1 3.38Å; D507-Y636 PolarHBondContact OD1-OH 3.44Å; D507-Y636 WeakPolarHBondContact OD2-CE1 3.44Å; D507-Y636 VanDerWaalsContact OD2-CZ 3.31Å; D507-Y636 PolarHBondContact OD2-OH 3.18Å
508	I	65.6	Low	62.1	Low	7.5 Å²	7.5	54.4 Å²	54.4	4%	0.038	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.8	-176.7	-53.6	-174	0	0	0	111.9	F465 F479 L481 L506 A511 V565 L568 L569	F465-I508 HydrophobicContact CD1-CD1 3.8Å; F465-I508 HydrophobicContact CE1-CD1 3.77Å; F465-I508 HydrophobicContact CE1-CG1 3.94Å; F465-I508 HydrophobicContact CE2-CD1 3.56Å; F465-I508 HydrophobicContact CZ-CD1 3.74Å; F465-I508 HydrophobicContact CZ-CG1 4.37Å; F479-I508 HydrophobicContact CD1-CD1 4.37Å; F479-I508 HydrophobicContact CE1-CD1 3.76Å; L481-I508 HydrophobicContact CD1-CD1 3.56Å; L481-I508 HydrophobicContact CD1-CG1 3.8Å; L481-I508 HydrophobicContact CD2-CD1 4.08Å; L481-I508 HydrophobicContact CG-CD1 3.6Å; L481-I508 HydrophobicContact CG-CG1 3.79Å; L506-I508 PolarHBondContact O-N 3.25Å; I508-A511 WeakPolarHBondContact O-CA 3.45Å; I508-A511 WeakPolarHBondContact O-CB 3.05Å; I508-A511 PolarHBondContact O-N 3.29Å; I508-V565 HydrophobicContact CG2-CG1 4.23Å; I508-L568 HydrophobicContact CD1-CB 3.77Å; I508-L568 HydrophobicContact CD1-CD1 3.74Å; I508-L568 VanDerWaalsContact CD1-CD1 3.47Å; I508-L568 HydrophobicContact CD1-CD2 4.48Å; I508-L568 HydrophobicContact CD1-CG 4.09Å; I508-L569 HydrophobicContact CG2-CD2 3.89Å; I508-L569 HydrophobicContact CG2-CG 4Å
509	Y	64.7	Low	62.6	Low	13 Å²	13	51.1 Å²	51.1	5%	0.051	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-22.6	-176.7	-56.3	-60.9	0	0	0	112.1	S468 L469 R475 N476 F479 D507 A511 E512 L569 E632 I633 Y636 R637	S468-Y509 PolarHBondContact OG-OH 3.26Å; L469-Y509 HydrophobicContact CD1-CE2 4.46Å; L469-Y509 HydrophobicContact CD2-CE2 3.8Å; R475-Y509 HydrophobicContact CB-CD1 4.4Å; R475-Y509 HydrophobicContact CB-CE1 3.97Å; R475-Y509 HydrophobicContact CB-CE2 4.37Å; R475-Y509 HydrophobicContact CG-CD1 3.95Å; R475-Y509 HydrophobicContact CG-CE1 3.5Å; R475-Y509 PolarHBondContact NH2-OH 3.05Å; N476-Y509 WeakPolarHBondContact O-CE2 3.32Å; F479-Y509 HydrophobicContact CB-CE2 4.29Å; D507-Y509 VanDerWaalsContact C-N 3.27Å; D507-Y509 PolarHBondContact O-N 3.26Å; D507-Y509 WeakPolarHBondContact OD1-CA 3.48Å; D507-Y509 WeakPolarHBondContact OD1-CB 3.38Å; D507-Y509 PolarHBondContact OD1-N 2.99Å; Y509-A511 PolarHBondContact O-N 3.13Å; Y509-E512 WeakPolarHBondContact O-CB 3.32Å; Y509-E512 PolarHBondContact O-N 3.08Å; Y509-L569 HydrophobicContact CE1-CD2 4.45Å; Y509-E632 PolarHBondContact OH-OE1 3.18Å; Y509-I633 HydrophobicContact CD1-CB 4.33Å; Y509-I633 HydrophobicContact CD1-CG1 3.68Å; Y509-I633 HydrophobicContact CE1-CG1 4.03Å; Y509-Y636 AromaticContact CD2-CD1 3.87Å; Y509-Y636 HydrophobicContact CD2-CD1 3.87Å; Y509-Y636 AromaticContact CD2-CD2 3.79Å; Y509-Y636 HydrophobicContact CD2-CD2 3.79Å; Y509-Y636 HydrophobicContact CD2-CE1 4.16Å; Y509-Y636 HydrophobicContact CD2-CE2 4.09Å; Y509-Y636 AromaticContact CD2-CG 3.65Å; Y509-Y636 HydrophobicContact CD2-CG 3.65Å; Y509-Y636 HydrophobicContact CE2-CD2 4.36Å; Y509-Y636 HydrophobicContact CG-CD1 4.05Å; Y509-Y636 HydrophobicContact CG-CG 4.12Å; Y509-R637 PolarHBondContact O-NE 3Å; Y509-R637 PolarHBondContact O-NH2 3.36Å
510	K	63.9	Low	63.2	Low	97 Å²	97	48.4 Å²	48.4	42%	0.422	25%	0.248	S	C	.	.	S	Bend	trans	-81.9	-11.3	167.4	-65.6	-178.5	-175.4	102.6	0	113.6	D507 E512 D513 Q514 D515 L519 Y636	D507-K510 HydrophobicContact CB-CB 4.11Å; D507-K510 HydrophobicContact CB-CD 4.06Å; D507-K510 HydrophobicContact CB-CG 4.14Å; D507-K510 PolarHBondContact O-N 2.97Å; D507-K510 VanDerWaalsContact O-N 3.17Å; D507-K510 PolarHBondContact OD1-N 3.07Å; D507-K510 VanDerWaalsContact OD2-CD 3.3Å; D507-K510 WeakPolarHBondContact OD2-CD 3.3Å; D507-K510 VanDerWaalsContact OD2-CE 3.24Å; D507-K510 WeakPolarHBondContact OD2-CE 3.42Å; D507-K510 WeakPolarHBondContact OD2-CG 3.38Å; D507-K510 IonicContact OD2-NZ 3.38Å; D507-K510 PolarHBondContact OD2-NZ 3.06Å; K510-E512 VanDerWaalsContact C-N 3.31Å; K510-D513 PolarHBondContact O-N 2.99Å; K510-Q514 WeakPolarHBondContact O-CB 3.22Å; K510-Q514 PolarHBondContact O-N 3.5Å; K510-D515 WeakPolarHBondContact O-CB 3.29Å; K510-D515 VanDerWaalsContact O-CG 3.31Å; K510-D515 VanDerWaalsContact O-OD2 3.09Å; K510-L519 HydrophobicContact CB-CD1 4.37Å; K510-Y636 HydrophobicContact CG-CE1 4.42Å
511	A	59	Low	63.7	Low	5 Å²	5	48.8 Å²	48.8	4%	0.041	25%	0.249	C	C	.	.			trans	-92.4	26.9	179.4	0	0	0	0	0	113.1	L506 D507 I508 Y509 I516 L519 V565	L506-A511 HydrophobicContact CD1-CB 3.64Å; D507-A511 VanDerWaalsContact O-CB 3.22Å; D507-A511 WeakPolarHBondContact O-CB 3.25Å; D507-A511 PolarHBondContact O-N 3.02Å; D507-A511 VanDerWaalsContact O-N 3.08Å; I508-A511 WeakPolarHBondContact O-CA 3.45Å; I508-A511 WeakPolarHBondContact O-CB 3.05Å; I508-A511 PolarHBondContact O-N 3.29Å; Y509-A511 PolarHBondContact O-N 3.13Å; A511-I516 HydrophobicContact CB-CD1 4.26Å; A511-I516 HydrophobicContact CB-CG1 4.01Å; A511-I516 WeakPolarHBondContact O-CD1 3.28Å; A511-L519 HydrophobicContact CB-CD2 3.38Å; A511-V565 HydrophobicContact CB-CG2 4.09Å
512	E	56.4	Low	63.9	Low	65.5 Å²	65.5	52.1 Å²	52.1	31%	0.306	27%	0.266	S	S	.	.			trans	-77.8	-114.2	166.6	-63	-163.5	169.8	0	0	112.1	R475 Y509 K510 Q514 D515 I516 L569 R637	R475-E512 IonicContact CZ-OE1 2.68Å; R475-E512 IonicContact CZ-OE2 3.93Å; R475-E512 IonicContact NH1-OE1 2.71Å; R475-E512 IonicContact NH1-OE2 3.92Å; R475-E512 PolarHBondContact NH1-OE2 3.03Å; R475-E512 IonicContact NH2-OE1 3.4Å; R475-E512 PolarHBondContact NH2-OE1 3.37Å; R475-E512 IonicContact NH2-OE2 2.79Å; R475-E512 PolarHBondContact NH2-OE2 3.43Å; Y509-E512 WeakPolarHBondContact O-CB 3.32Å; Y509-E512 PolarHBondContact O-N 3.08Å; K510-E512 VanDerWaalsContact C-N 3.31Å; E512-Q514 PolarHBondContact O-N 3.34Å; E512-D515 VanDerWaalsContact CB-OD2 3.27Å; E512-D515 WeakPolarHBondContact CB-OD2 3.38Å; E512-D515 WeakPolarHBondContact CG-OD2 3.21Å; E512-D515 PolarHBondContact N-OD2 2.91Å; E512-D515 VanDerWaalsContact N-OD2 3.14Å; E512-D515 PolarHBondContact O-N 3.38Å; E512-I516 VanDerWaalsContact O-CG1 3.27Å; E512-I516 WeakPolarHBondContact O-CG1 3.35Å; E512-I516 PolarHBondContact O-N 3.1Å; E512-L569 HydrophobicContact CG-CD1 4.08Å; E512-L569 HydrophobicContact CG-CD2 4.21Å; E512-R637 IonicContact OE1-CZ 3.2Å; E512-R637 IonicContact OE1-NH1 3.19Å; E512-R637 PolarHBondContact OE1-NH1 2.94Å; E512-R637 IonicContact OE1-NH2 2.69Å; E512-R637 PolarHBondContact OE1-NH2 3.38Å
513	D	58.2	Low	64.2	Low	111.5 Å²	111.5	53.3 Å²	53.3	60%	0.596	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.9	177.2	-75.2	-28.4	0	0	0	113.7	K510 P517 Q562 K566	K510-D513 PolarHBondContact O-N 2.99Å; D513-P517 WeakPolarHBondContact O-CD 3.24Å; D513-Q562 VanDerWaalsContact OD1-CG 3.29Å; D513-Q562 WeakPolarHBondContact OD1-CG 3.14Å; D513-Q562 PolarHBondContact OD1-NE2 3.38Å; D513-K566 IonicContact OD1-NZ 3.53Å; D513-K566 PolarHBondContact OD1-NZ 3.49Å; D513-K566 VanDerWaalsContact OD2-CE 3.32Å; D513-K566 WeakPolarHBondContact OD2-CE 3.3Å; D513-K566 IonicContact OD2-NZ 2.66Å; D513-K566 PolarHBondContact OD2-NZ 3.14Å
514	Q	57.7	Low	64.4	Low	111.5 Å²	111.5	53.3 Å²	53.3	52%	0.521	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	54.2	176.7	-62	-172.8	31.2	0	0	112.9	K510 E512 P517 L519 N522	K510-Q514 WeakPolarHBondContact O-CB 3.22Å; K510-Q514 PolarHBondContact O-N 3.5Å; E512-Q514 PolarHBondContact O-N 3.34Å; Q514-P517 WeakPolarHBondContact O-CD 3.36Å; Q514-L519 HydrophobicContact CB-CB 4.23Å; Q514-N522 PolarHBondContact OE1-ND2 2.89Å
515	D	61.9	Low	64.7	Low	96.5 Å²	96.5	56.7 Å²	56.7	52%	0.516	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	52.9	175.2	-77.2	-51.2	0	0	0	111.3	K510 E512 P517 D518 L519	K510-D515 WeakPolarHBondContact O-CB 3.29Å; K510-D515 VanDerWaalsContact O-CG 3.31Å; K510-D515 VanDerWaalsContact O-OD2 3.09Å; E512-D515 VanDerWaalsContact CB-OD2 3.27Å; E512-D515 WeakPolarHBondContact CB-OD2 3.38Å; E512-D515 WeakPolarHBondContact CG-OD2 3.21Å; E512-D515 PolarHBondContact N-OD2 2.91Å; E512-D515 VanDerWaalsContact N-OD2 3.14Å; E512-D515 PolarHBondContact O-N 3.38Å; D515-P517 VanDerWaalsContact C-CD 3.44Å; D515-P517 VanDerWaalsContact C-N 3.33Å; D515-D518 WeakPolarHBondContact O-CB 3.34Å; D515-D518 PolarHBondContact O-N 3.34Å; D515-L519 PolarHBondContact O-N 3.33Å; D515-L519 VanDerWaalsContact O-N 3.07Å
516	I	61.7	Low	64.7	Low	18.5 Å²	18.5	54.9 Å²	54.9	10%	0.095	29%	0.287	C	S	.	.	H	α-helix	trans	-55.5	-40.8	-175.6	-66.3	168.6	0	0	0	112.9	A511 E512 D518 L519 I520 R558 M561 Q562 V565	A511-I516 HydrophobicContact CB-CD1 4.26Å; A511-I516 HydrophobicContact CB-CG1 4.01Å; A511-I516 WeakPolarHBondContact O-CD1 3.28Å; E512-I516 VanDerWaalsContact O-CG1 3.27Å; E512-I516 WeakPolarHBondContact O-CG1 3.35Å; E512-I516 PolarHBondContact O-N 3.1Å; I516-D518 VanDerWaalsContact C-N 3.3Å; I516-D518 PolarHBondContact O-N 2.93Å; I516-L519 PolarHBondContact O-N 2.82Å; I516-I520 HydrophobicContact CG2-CD1 3.65Å; I516-I520 HydrophobicContact CG2-CG1 4.36Å; I516-I520 VanDerWaalsContact O-CB 3.27Å; I516-I520 WeakPolarHBondContact O-CB 3.31Å; I516-I520 WeakPolarHBondContact O-CD1 3.43Å; I516-I520 VanDerWaalsContact O-CG1 3.29Å; I516-I520 WeakPolarHBondContact O-CG1 3.19Å; I516-I520 PolarHBondContact O-N 3.16Å; I516-I520 VanDerWaalsContact O-N 3.15Å; I516-R558 HydrophobicContact CG2-CB 4.44Å; I516-R558 HydrophobicContact CG2-CG 3.9Å; I516-M561 HydrophobicContact CD1-CB 4.32Å; I516-M561 HydrophobicContact CG1-CE 4.21Å; I516-M561 HydrophobicContact CG2-CB 4.16Å; I516-M561 HydrophobicContact CG2-CE 3.81Å; I516-M561 HydrophobicContact CG2-SD 4.08Å; I516-Q562 HydrophobicContact CD1-CG 4.07Å; I516-Q562 HydrophobicContact CG2-CG 4.21Å; I516-V565 HydrophobicContact CD1-CB 4.14Å; I516-V565 HydrophobicContact CD1-CG1 4.04Å; I516-V565 HydrophobicContact CD1-CG2 4.36Å
517	P	63.2	Low	64.6	Low	64.5 Å²	64.5	56 Å²	56	42%	0.419	29%	0.292	S	S	.	.	H	α-helix	trans	-54.7	-41.9	170.7	-27.8	35.9	0	0	0	114.5	D513 Q514 D515 I520 H521	D513-P517 WeakPolarHBondContact O-CD 3.24Å; Q514-P517 WeakPolarHBondContact O-CD 3.36Å; D515-P517 VanDerWaalsContact C-CD 3.44Å; D515-P517 VanDerWaalsContact C-N 3.33Å; P517-I520 PolarHBondContact O-N 2.92Å; P517-H521 WeakPolarHBondContact O-CB 3.11Å; P517-H521 PolarHBondContact O-N 3.05Å
518	D	66.3	Low	64.7	Low	99 Å²	99	57.3 Å²	57.3	53%	0.529	30%	0.297	S	S	.	.	H	α-helix	trans	-74.5	-41	-177.3	-72.5	-4.5	0	0	0	111.4	D515 I516 I520 H521 N522	D515-D518 WeakPolarHBondContact O-CB 3.34Å; D515-D518 PolarHBondContact O-N 3.34Å; I516-D518 VanDerWaalsContact C-N 3.3Å; I516-D518 PolarHBondContact O-N 2.93Å; D518-I520 VanDerWaalsContact C-N 3.28Å; D518-I520 PolarHBondContact O-N 3.17Å; D518-H521 PolarHBondContact O-N 3.19Å; D518-N522 WeakPolarHBondContact O-CB 3.18Å; D518-N522 PolarHBondContact O-N 3.02Å; D518-N522 PolarHBondContact O-ND2 3.23Å; D518-N522 VanDerWaalsContact O-ND2 3.13Å
519	L	64.4	Low	64.8	Low	34.5 Å²	34.5	60.7 Å²	60.7	18%	0.181	32%	0.315	C	S	.	.	H	α-helix	trans	-57	-41.7	171.3	177.3	58.8	0	0	0	111.1	L506 K510 A511 Q514 D515 I516 N522 L523 M561	L506-L519 HydrophobicContact CD1-CD2 3.9Å; L506-L519 HydrophobicContact CD1-CG 4.45Å; K510-L519 HydrophobicContact CB-CD1 4.37Å; A511-L519 HydrophobicContact CB-CD2 3.38Å; Q514-L519 HydrophobicContact CB-CB 4.23Å; D515-L519 PolarHBondContact O-N 3.33Å; D515-L519 VanDerWaalsContact O-N 3.07Å; I516-L519 PolarHBondContact O-N 2.82Å; L519-N522 PolarHBondContact O-N 3.41Å; L519-L523 HydrophobicContact CD1-CD1 4.44Å; L519-L523 HydrophobicContact CD1-CG 4.45Å; L519-L523 HydrophobicContact CG-CD1 4.25Å; L519-L523 WeakPolarHBondContact O-CB 3.31Å; L519-L523 VanDerWaalsContact O-CG 3.3Å; L519-L523 WeakPolarHBondContact O-CG 3.27Å; L519-L523 PolarHBondContact O-N 2.92Å; L519-M561 HydrophobicContact CD2-CE 3.58Å; L519-M561 HydrophobicContact CG-CE 4.22Å
520	I	65.8	Low	64.8	Low	14 Å²	14	65.1 Å²	65.1	7%	0.072	33%	0.334	C	S	.	.	H	α-helix	trans	-71.7	-35.1	177.9	-74.7	171.2	0	0	0	112.2	I516 P517 D518 L523 R524 F554 I557 R558 M561	I516-I520 HydrophobicContact CG2-CD1 3.65Å; I516-I520 HydrophobicContact CG2-CG1 4.36Å; I516-I520 VanDerWaalsContact O-CB 3.27Å; I516-I520 WeakPolarHBondContact O-CB 3.31Å; I516-I520 WeakPolarHBondContact O-CD1 3.43Å; I516-I520 VanDerWaalsContact O-CG1 3.29Å; I516-I520 WeakPolarHBondContact O-CG1 3.19Å; I516-I520 PolarHBondContact O-N 3.16Å; I516-I520 VanDerWaalsContact O-N 3.15Å; P517-I520 PolarHBondContact O-N 2.92Å; D518-I520 VanDerWaalsContact C-N 3.28Å; D518-I520 PolarHBondContact O-N 3.17Å; I520-L523 PolarHBondContact O-N 3.48Å; I520-R524 VanDerWaalsContact O-CB 3.25Å; I520-R524 WeakPolarHBondContact O-CB 3.18Å; I520-R524 PolarHBondContact O-N 3.31Å; I520-F554 HydrophobicContact CG2-CB 3.92Å; I520-F554 HydrophobicContact CG2-CD1 3.85Å; I520-F554 HydrophobicContact CG2-CG 4.2Å; I520-I557 HydrophobicContact CD1-CB 4.43Å; I520-I557 HydrophobicContact CD1-CG2 3.86Å; I520-I557 HydrophobicContact CG1-CG2 4.15Å; I520-R558 HydrophobicContact CD1-CB 3.53Å; I520-R558 HydrophobicContact CD1-CG 3.88Å; I520-R558 VanDerWaalsContact CD1-N 3.34Å; I520-M561 HydrophobicContact CD1-SD 4.11Å; I520-M561 HydrophobicContact CG1-CE 4.22Å; I520-M561 HydrophobicContact CG1-SD 4.08Å
521	H	69.3	Low	64.8	Low	102.5 Å²	102.5	60.9 Å²	60.9	48%	0.475	32%	0.317	S	S	.	.	H	α-helix	trans	-64.1	-42.7	172	-174	58.9	0	0	0	111.4	P517 D518 R524 L525	P517-H521 WeakPolarHBondContact O-CB 3.11Å; P517-H521 PolarHBondContact O-N 3.05Å; D518-H521 PolarHBondContact O-N 3.19Å; H521-R524 WeakPolarHBondContact O-CB 3.03Å; H521-R524 PolarHBondContact O-N 3.17Å; H521-L525 WeakPolarHBondContact O-CG 3.42Å; H521-L525 PolarHBondContact O-N 3.22Å
522	N	68.6	Low	65.1	Low	91 Å²	91	65.3 Å²	65.3	49%	0.487	33%	0.332	S	S	.	.	H	α-helix	trans	-64.7	-43.7	175.7	-73.2	-53	0	0	0	112.2	Q514 D518 L519 R524 L525 G526	Q514-N522 PolarHBondContact OE1-ND2 2.89Å; D518-N522 WeakPolarHBondContact O-CB 3.18Å; D518-N522 PolarHBondContact O-N 3.02Å; D518-N522 PolarHBondContact O-ND2 3.23Å; D518-N522 VanDerWaalsContact O-ND2 3.13Å; L519-N522 PolarHBondContact O-N 3.41Å; N522-R524 VanDerWaalsContact C-N 3.33Å; N522-R524 PolarHBondContact O-N 2.8Å; N522-L525 PolarHBondContact O-N 3.28Å; N522-G526 PolarHBondContact O-N 3.21Å
523	L	67	Low	65.3	Low	28 Å²	28	70 Å²	70	15%	0.147	35%	0.347	C	S	.	.	H	α-helix	trans	-60.7	-41.4	172.8	-73.4	166.9	0	0	0	111.7	F504 L506 L519 I520 G526 Y527 F554 M561	F504-L523 HydrophobicContact CB-CD1 4.5Å; F504-L523 HydrophobicContact CB-CD2 3.95Å; F504-L523 HydrophobicContact CD1-CD1 3.51Å; F504-L523 HydrophobicContact CD1-CD2 4.01Å; F504-L523 HydrophobicContact CD1-CG 4.44Å; F504-L523 HydrophobicContact CD2-CD1 4.42Å; F504-L523 HydrophobicContact CE1-CD1 3.68Å; F504-L523 HydrophobicContact CG-CD1 3.9Å; F504-L523 HydrophobicContact CG-CD2 4.21Å; F504-L523 HydrophobicContact CZ-CD1 4.23Å; L506-L523 HydrophobicContact CD1-CD1 4.23Å; L519-L523 HydrophobicContact CD1-CD1 4.44Å; L519-L523 HydrophobicContact CD1-CG 4.45Å; L519-L523 HydrophobicContact CG-CD1 4.25Å; L519-L523 WeakPolarHBondContact O-CB 3.31Å; L519-L523 VanDerWaalsContact O-CG 3.3Å; L519-L523 WeakPolarHBondContact O-CG 3.27Å; L519-L523 PolarHBondContact O-N 2.92Å; I520-L523 PolarHBondContact O-N 3.48Å; L523-G526 PolarHBondContact O-N 3.34Å; L523-Y527 WeakPolarHBondContact O-CD2 3.23Å; L523-Y527 PolarHBondContact O-N 3.38Å; L523-F554 HydrophobicContact CB-CE1 3.91Å; L523-F554 HydrophobicContact CB-CZ 4.27Å; L523-M561 HydrophobicContact CD1-CE 4.37Å; L523-M561 HydrophobicContact CD1-SD 4.28Å
524	R	71	Confident	65.2	Low	50 Å²	50	68.9 Å²	68.9	19%	0.189	34%	0.344	C	S	.	.	H	α-helix	trans	-62.3	-50.9	175.9	179.7	-178.9	-178.4	149.4	8.4	112	I520 H521 N522 G526 Y527 E528 S547 D551 F554	I520-R524 VanDerWaalsContact O-CB 3.25Å; I520-R524 WeakPolarHBondContact O-CB 3.18Å; I520-R524 PolarHBondContact O-N 3.31Å; H521-R524 WeakPolarHBondContact O-CB 3.03Å; H521-R524 PolarHBondContact O-N 3.17Å; N522-R524 VanDerWaalsContact C-N 3.33Å; N522-R524 PolarHBondContact O-N 2.8Å; R524-G526 VanDerWaalsContact C-N 3.32Å; R524-G526 PolarHBondContact O-N 2.91Å; R524-Y527 PolarHBondContact O-N 3.15Å; R524-E528 HydrophobicContact CG-CG 4.27Å; R524-E528 WeakPolarHBondContact CG-OE1 3.44Å; R524-E528 IonicContact CZ-OE1 3.21Å; R524-E528 IonicContact NE-OE1 3.01Å; R524-E528 PolarHBondContact NE-OE1 3.02Å; R524-E528 IonicContact NH2-OE1 3.03Å; R524-E528 PolarHBondContact NH2-OE1 3.12Å; R524-E528 WeakPolarHBondContact O-CB 3.3Å; R524-E528 WeakPolarHBondContact O-CG 3.09Å; R524-E528 PolarHBondContact O-N 2.95Å; R524-S547 PolarHBondContact NH2-OG 3.12Å; R524-D551 IonicContact CZ-OD1 3.16Å; R524-D551 IonicContact CZ-OD2 2.63Å; R524-D551 IonicContact NH1-OD1 3.33Å; R524-D551 PolarHBondContact NH1-OD1 2.93Å; R524-D551 IonicContact NH1-OD2 2.73Å; R524-D551 VanDerWaalsContact NH2-CG 3.31Å; R524-D551 IonicContact NH2-OD1 3Å; R524-D551 PolarHBondContact NH2-OD1 3.39Å; R524-D551 IonicContact NH2-OD2 3.41Å; R524-D551 PolarHBondContact NH2-OD2 3.21Å; R524-F554 VanDerWaalsContact CA-CE2 3.46Å; R524-F554 HydrophobicContact CB-CD1 4.35Å; R524-F554 HydrophobicContact CB-CD2 3.79Å; R524-F554 HydrophobicContact CB-CE1 4.24Å; R524-F554 HydrophobicContact CB-CE2 3.64Å; R524-F554 HydrophobicContact CB-CG 4.25Å; R524-F554 HydrophobicContact CB-CZ 3.95Å; R524-F554 HydrophobicContact CG-CD2 3.85Å; R524-F554 HydrophobicContact CG-CE2 3.82Å; R524-F554 HydrophobicContact CG-CG 4.48Å
525	L	71.9	Confident	65.1	Low	82.5 Å²	82.5	65.1 Å²	65.1	43%	0.432	33%	0.326	S	S	.	.	H	α-helix	trans	-57	-46.4	177.5	-72.3	172.6	0	0	0	111.1	H521 N522 Y527 E528 D529	H521-L525 WeakPolarHBondContact O-CG 3.42Å; H521-L525 PolarHBondContact O-N 3.22Å; N522-L525 PolarHBondContact O-N 3.28Å; L525-Y527 VanDerWaalsContact C-N 3.33Å; L525-Y527 PolarHBondContact O-N 3.06Å; L525-E528 PolarHBondContact O-N 3.19Å; L525-D529 VanDerWaalsContact O-CB 3.29Å; L525-D529 WeakPolarHBondContact O-CB 3.42Å; L525-D529 PolarHBondContact O-N 3.21Å
526	G	67	Low	64.8	Low	38.5 Å²	38.5	69 Å²	69	40%	0.397	34%	0.341	S	S	.	.	H	α-helix	trans	-63.2	-27.4	177.5	0	0	0	0	0	114.4	N522 L523 R524 K530	N522-G526 PolarHBondContact O-N 3.21Å; L523-G526 PolarHBondContact O-N 3.34Å; R524-G526 VanDerWaalsContact C-N 3.32Å; R524-G526 PolarHBondContact O-N 2.91Å; G526-K530 WeakPolarHBondContact O-CG 3.42Å; G526-K530 PolarHBondContact O-N 3.24Å; G526-K530 VanDerWaalsContact O-N 3.13Å
527	Y	66.9	Low	64.3	Low	27 Å²	27	73.8 Å²	73.8	11%	0.106	37%	0.367	C	S	.	.	H	α-helix	trans	-89.5	-36	176	-110.9	-90.2	0	0	0	113.6	L496 L502 E503 F504 L523 R524 L525 D529 K530 L531	L496-Y527 HydrophobicContact CD1-CE1 4.21Å; L502-Y527 HydrophobicContact CD2-CD1 4.18Å; L502-Y527 HydrophobicContact CD2-CD2 3.82Å; L502-Y527 HydrophobicContact CD2-CE1 3.79Å; L502-Y527 HydrophobicContact CD2-CE2 3.41Å; L502-Y527 VanDerWaalsContact CD2-CE2 3.41Å; L502-Y527 HydrophobicContact CD2-CG 4.2Å; L502-Y527 VanDerWaalsContact CD2-CZ 3.4Å; L502-Y527 HydrophobicContact CG-CE1 3.87Å; L502-Y527 HydrophobicContact CG-CE2 4.31Å; E503-Y527 PolarHBondContact N-OH 3.32Å; E503-Y527 WeakPolarHBondContact O-CE2 3.49Å; E503-Y527 PolarHBondContact O-OH 3.36Å; F504-Y527 AromaticContact CD1-CD2 3.33Å; F504-Y527 HydrophobicContact CD1-CD2 3.33Å; F504-Y527 AromaticContact CD1-CE2 3.6Å; F504-Y527 HydrophobicContact CD1-CE2 3.6Å; F504-Y527 AromaticContact CD1-CG 3.94Å; F504-Y527 HydrophobicContact CD1-CG 3.94Å; F504-Y527 AromaticContact CE1-CD1 3.94Å; F504-Y527 HydrophobicContact CE1-CD1 3.94Å; F504-Y527 AromaticContact CE1-CD2 3.28Å; F504-Y527 HydrophobicContact CE1-CD2 3.28Å; F504-Y527 HydrophobicContact CE1-CE1 4.33Å; F504-Y527 AromaticContact CE1-CE2 3.71Å; F504-Y527 HydrophobicContact CE1-CE2 3.71Å; F504-Y527 AromaticContact CE1-CG 3.37Å; F504-Y527 HydrophobicContact CE1-CG 3.37Å; F504-Y527 HydrophobicContact CG-CD2 4.31Å; F504-Y527 HydrophobicContact CG-CE2 4.15Å; F504-Y527 HydrophobicContact CZ-CD1 4.29Å; F504-Y527 HydrophobicContact CZ-CD2 4.24Å; F504-Y527 HydrophobicContact CZ-CE1 4.44Å; F504-Y527 HydrophobicContact CZ-CE2 4.37Å; F504-Y527 HydrophobicContact CZ-CG 4.15Å; L523-Y527 WeakPolarHBondContact O-CD2 3.23Å; L523-Y527 PolarHBondContact O-N 3.38Å; R524-Y527 PolarHBondContact O-N 3.15Å; L525-Y527 VanDerWaalsContact C-N 3.33Å; L525-Y527 PolarHBondContact O-N 3.06Å; Y527-D529 VanDerWaalsContact C-N 3.32Å; Y527-D529 PolarHBondContact O-N 3.1Å; Y527-K530 HydrophobicContact CD1-CD 4.4Å; Y527-K530 HydrophobicContact CD2-CD 4.11Å; Y527-K530 HydrophobicContact CE1-CD 4.27Å; Y527-K530 HydrophobicContact CE2-CD 4.14Å; Y527-K530 PolarHBondContact O-N 3.17Å; Y527-K530 VanDerWaalsContact O-N 3.15Å; Y527-L531 HydrophobicContact CD1-CD1 4.01Å; Y527-L531 HydrophobicContact CD1-CG 4.03Å; Y527-L531 HydrophobicContact CE1-CG 4.47Å; Y527-L531 WeakPolarHBondContact O-CB 3.45Å; Y527-L531 WeakPolarHBondContact O-CD1 3.3Å; Y527-L531 WeakPolarHBondContact O-CG 3.36Å; Y527-L531 PolarHBondContact O-N 2.91Å
528	E	68.9	Low	63.6	Low	45.5 Å²	45.5	76.5 Å²	76.5	21%	0.213	39%	0.385	C	S	.	.	H	α-helix	trans	-57.5	-44.8	168.8	-74.2	-177.6	-173.3	0	0	109.9	R524 L525 K530 L531 W532 L550	R524-E528 HydrophobicContact CG-CG 4.27Å; R524-E528 WeakPolarHBondContact CG-OE1 3.44Å; R524-E528 IonicContact CZ-OE1 3.21Å; R524-E528 IonicContact NE-OE1 3.01Å; R524-E528 PolarHBondContact NE-OE1 3.02Å; R524-E528 IonicContact NH2-OE1 3.03Å; R524-E528 PolarHBondContact NH2-OE1 3.12Å; R524-E528 WeakPolarHBondContact O-CB 3.3Å; R524-E528 WeakPolarHBondContact O-CG 3.09Å; R524-E528 PolarHBondContact O-N 2.95Å; L525-E528 PolarHBondContact O-N 3.19Å; E528-K530 PolarHBondContact O-N 3.14Å; E528-L531 PolarHBondContact O-N 2.99Å; E528-W532 WeakPolarHBondContact O-CB 3.43Å; E528-W532 PolarHBondContact O-N 3.17Å; E528-L550 HydrophobicContact CG-CD1 3.53Å
529	D	66.7	Low	63.1	Low	79.5 Å²	79.5	80.8 Å²	80.8	43%	0.425	40%	0.399	S	S	.	.	H	α-helix	trans	-63.6	-34.1	175.6	-145	48.3	0	0	0	113.8	L525 Y527 R533	L525-D529 VanDerWaalsContact O-CB 3.29Å; L525-D529 WeakPolarHBondContact O-CB 3.42Å; L525-D529 PolarHBondContact O-N 3.21Å; Y527-D529 VanDerWaalsContact C-N 3.32Å; Y527-D529 PolarHBondContact O-N 3.1Å; D529-R533 WeakPolarHBondContact O-CD 3.19Å; D529-R533 WeakPolarHBondContact O-CG 3.41Å; D529-R533 PolarHBondContact O-N 3.11Å; D529-R533 PolarHBondContact O-NE 3.39Å; D529-R533 PolarHBondContact O-NH1 3.06Å; D529-R533 VanDerWaalsContact O-NH1 3.11Å; D529-R533 IonicContact OD1-CZ 3.5Å; D529-R533 IonicContact OD1-NH1 3.27Å; D529-R533 PolarHBondContact OD1-NH1 2.85Å; D529-R533 IonicContact OD1-NH2 3.85Å; D529-R533 PolarHBondContact OD1-NH2 3.29Å; D529-R533 IonicContact OD2-CZ 2.98Å; D529-R533 IonicContact OD2-NE 3.82Å; D529-R533 IonicContact OD2-NH1 3.17Å; D529-R533 PolarHBondContact OD2-NH1 3.14Å; D529-R533 IonicContact OD2-NH2 3.31Å; D529-R533 PolarHBondContact OD2-NH2 3.09Å
530	K	64.4	Low	62.7	Low	104.5 Å²	104.5	84.5 Å²	84.5	45%	0.454	42%	0.415	S	S	.	.	H	α-helix	trans	-66.6	-50.4	170.7	-79.7	179.5	176.9	-173.1	0	111.2	G526 Y527 E528 W532 R533 V534	G526-K530 WeakPolarHBondContact O-CG 3.42Å; G526-K530 PolarHBondContact O-N 3.24Å; G526-K530 VanDerWaalsContact O-N 3.13Å; Y527-K530 HydrophobicContact CD1-CD 4.4Å; Y527-K530 HydrophobicContact CD2-CD 4.11Å; Y527-K530 HydrophobicContact CE1-CD 4.27Å; Y527-K530 HydrophobicContact CE2-CD 4.14Å; Y527-K530 PolarHBondContact O-N 3.17Å; Y527-K530 VanDerWaalsContact O-N 3.15Å; E528-K530 PolarHBondContact O-N 3.14Å; K530-W532 VanDerWaalsContact C-N 3.34Å; K530-W532 PolarHBondContact O-N 3.35Å; K530-R533 PolarHBondContact O-N 2.92Å; K530-R533 VanDerWaalsContact O-N 3.11Å; K530-V534 WeakPolarHBondContact O-CG2 3.43Å; K530-V534 PolarHBondContact O-N 2.97Å
531	L	64.7	Low	62.2	Low	9 Å²	9	85.7 Å²	85.7	5%	0.047	42%	0.423	C	S	.	.	H	α-helix	trans	-61.4	-41.9	-177.8	-69	165.9	0	0	0	111.4	L494 Y527 E528 R533 V534 F535 V546 L550	L494-L531 HydrophobicContact CB-CD2 3.9Å; L494-L531 HydrophobicContact CD2-CD1 3.96Å; L494-L531 HydrophobicContact CD2-CD2 4.05Å; L494-L531 HydrophobicContact CG-CD2 4.45Å; L494-L531 WeakPolarHBondContact O-CD2 3.48Å; Y527-L531 HydrophobicContact CD1-CD1 4.01Å; Y527-L531 HydrophobicContact CD1-CG 4.03Å; Y527-L531 HydrophobicContact CE1-CG 4.47Å; Y527-L531 WeakPolarHBondContact O-CB 3.45Å; Y527-L531 WeakPolarHBondContact O-CD1 3.3Å; Y527-L531 WeakPolarHBondContact O-CG 3.36Å; Y527-L531 PolarHBondContact O-N 2.91Å; E528-L531 PolarHBondContact O-N 2.99Å; L531-R533 VanDerWaalsContact C-N 3.27Å; L531-R533 PolarHBondContact O-N 3.31Å; L531-V534 PolarHBondContact O-N 2.79Å; L531-V534 VanDerWaalsContact O-N 3.15Å; L531-F535 HydrophobicContact CB-CD2 4.23Å; L531-F535 HydrophobicContact CB-CE2 3.76Å; L531-F535 HydrophobicContact CD2-CD2 4.46Å; L531-F535 HydrophobicContact CD2-CE2 3.86Å; L531-F535 HydrophobicContact CD2-CZ 3.77Å; L531-F535 HydrophobicContact CG-CE2 4.29Å; L531-F535 VanDerWaalsContact O-CD2 3.31Å; L531-F535 WeakPolarHBondContact O-CD2 3.33Å; L531-F535 WeakPolarHBondContact O-CG 3.44Å; L531-F535 PolarHBondContact O-N 3.21Å; L531-V546 HydrophobicContact CD1-CG1 4.44Å; L531-L550 HydrophobicContact CD1-CD1 3.99Å; L531-L550 HydrophobicContact CD1-CD2 4.07Å; L531-L550 HydrophobicContact CD1-CG 4.47Å
532	W	64.6	Low	62	Low	97 Å²	97	85.1 Å²	85.1	37%	0.367	42%	0.424	S	S	.	.	H	α-helix	trans	-62.2	-29.6	175.9	-71.9	121.8	0	0	0	113.7	E528 K530 K543	E528-W532 WeakPolarHBondContact O-CB 3.43Å; E528-W532 PolarHBondContact O-N 3.17Å; K530-W532 VanDerWaalsContact C-N 3.34Å; K530-W532 PolarHBondContact O-N 3.35Å; W532-K543 HydrophobicContact CH2-CB 4.16Å; W532-K543 HydrophobicContact CH2-CD 3.59Å; W532-K543 VanDerWaalsContact CH2-CE 3.42Å; W532-K543 HydrophobicContact CH2-CG 3.85Å; W532-K543 HydrophobicContact CZ2-CB 4.47Å; W532-K543 HydrophobicContact CZ2-CD 3.82Å; W532-K543 HydrophobicContact CZ2-CG 4.24Å; W532-K543 HydrophobicContact CZ3-CD 4.13Å; W532-K543 HydrophobicContact CZ3-CG 4.44Å
533	R	60.7	Low	61.8	Low	166 Å²	166	87 Å²	87	63%	0.626	43%	0.428	S	S	*	.	H	α-helix	trans	-78.8	-28.7	174.4	-66.3	178.9	-159.2	141.1	5.2	113.3	D529 K530 L531	D529-R533 WeakPolarHBondContact O-CD 3.19Å; D529-R533 WeakPolarHBondContact O-CG 3.41Å; D529-R533 PolarHBondContact O-N 3.11Å; D529-R533 PolarHBondContact O-NE 3.39Å; D529-R533 PolarHBondContact O-NH1 3.06Å; D529-R533 VanDerWaalsContact O-NH1 3.11Å; D529-R533 IonicContact OD1-CZ 3.5Å; D529-R533 IonicContact OD1-NH1 3.27Å; D529-R533 PolarHBondContact OD1-NH1 2.85Å; D529-R533 IonicContact OD1-NH2 3.85Å; D529-R533 PolarHBondContact OD1-NH2 3.29Å; D529-R533 IonicContact OD2-CZ 2.98Å; D529-R533 IonicContact OD2-NE 3.82Å; D529-R533 IonicContact OD2-NH1 3.17Å; D529-R533 PolarHBondContact OD2-NH1 3.14Å; D529-R533 IonicContact OD2-NH2 3.31Å; D529-R533 PolarHBondContact OD2-NH2 3.09Å; K530-R533 PolarHBondContact O-N 2.92Å; K530-R533 VanDerWaalsContact O-N 3.11Å; L531-R533 VanDerWaalsContact C-N 3.27Å; L531-R533 PolarHBondContact O-N 3.31Å
534	V	56.5	Low	61.9	Low	87.5 Å²	87.5	93.3 Å²	93.3	53%	0.53	45%	0.454	S	S	.	.	H	α-helix	trans	-78.9	-36.3	176.5	175.7	0	0	0	0	111.2	K530 L531 E536	K530-V534 WeakPolarHBondContact O-CG2 3.43Å; K530-V534 PolarHBondContact O-N 2.97Å; L531-V534 PolarHBondContact O-N 2.79Å; L531-V534 VanDerWaalsContact O-N 3.15Å; V534-E536 VanDerWaalsContact C-N 3.33Å; V534-E536 PolarHBondContact O-N 3.15Å; V534-E536 VanDerWaalsContact O-N 3.13Å
535	F	55.8	Low	61.6	Low	31 Å²	31	93.7 Å²	93.7	14%	0.136	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	32.6	-177.6	-64.3	-54.8	0	0	0	115.1	L494 L531 N537 Q540 P541	L494-F535 WeakPolarHBondContact O-CE1 3.34Å; L494-F535 VanDerWaalsContact O-CE2 3.27Å; L494-F535 WeakPolarHBondContact O-CE2 3.38Å; L494-F535 WeakPolarHBondContact O-CZ 3.29Å; L531-F535 HydrophobicContact CB-CD2 4.23Å; L531-F535 HydrophobicContact CB-CE2 3.76Å; L531-F535 HydrophobicContact CD2-CD2 4.46Å; L531-F535 HydrophobicContact CD2-CE2 3.86Å; L531-F535 HydrophobicContact CD2-CZ 3.77Å; L531-F535 HydrophobicContact CG-CE2 4.29Å; L531-F535 VanDerWaalsContact O-CD2 3.31Å; L531-F535 WeakPolarHBondContact O-CD2 3.33Å; L531-F535 WeakPolarHBondContact O-CG 3.44Å; L531-F535 PolarHBondContact O-N 3.21Å; F535-N537 PolarHBondContact O-N 3.42Å; F535-N537 VanDerWaalsContact O-N 3.17Å; F535-Q540 HydrophobicContact CB-CG 4.44Å; F535-Q540 WeakPolarHBondContact O-CG 3.49Å; F535-Q540 PolarHBondContact O-NE2 2.92Å; F535-P541 HydrophobicContact CD2-CG 4.48Å; F535-P541 HydrophobicContact CE2-CG 4.23Å; F535-P541 HydrophobicContact CZ-CG 4.42Å
536	E	54.8	Low	61.3	Low	178 Å²	178	90.6 Å²	90.6	83%	0.832	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-5.1	166.9	-98.7	-171	171.2	0	0	112.9	V534	V534-E536 VanDerWaalsContact C-N 3.33Å; V534-E536 PolarHBondContact O-N 3.15Å; V534-E536 VanDerWaalsContact O-N 3.13Å
537	N	51.3	Low	61.4	Low	121 Å²	121	90.9 Å²	90.9	65%	0.647	44%	0.442	S	S	*	.	S	Bend	trans	-88.3	142.4	178.7	-131.3	-31	0	0	0	112.3	F535 K539	F535-N537 PolarHBondContact O-N 3.42Å; F535-N537 VanDerWaalsContact O-N 3.17Å; N537-K539 VanDerWaalsContact C-N 3.27Å; N537-K539 PolarHBondContact O-N 3.12Å
538	P	48.9	Very low	61.4	Low	121 Å²	121	92.1 Å²	92.1	79%	0.786	46%	0.455	S	S	*	.	S	Bend	trans	-71.6	3.3	-163.6	2.7	-0.4	0	0	0	117.6	Q540	P538-Q540 VanDerWaalsContact C-N 3.31Å; P538-Q540 PolarHBondContact O-N 3.28Å
539	K	55.1	Low	61.1	Low	189 Å²	189	91.7 Å²	91.7	82%	0.822	45%	0.453	S	S	*	.			trans	-91.1	41.5	174.4	-68	-174.5	178.2	178.4	0	111.9	N537 P541	N537-K539 VanDerWaalsContact C-N 3.27Å; N537-K539 PolarHBondContact O-N 3.12Å; K539-P541 VanDerWaalsContact O-CD 3.27Å; K539-P541 WeakPolarHBondContact O-CD 3.48Å
540	Q	56.2	Low	61.2	Low	111 Å²	111	88 Å²	88	52%	0.519	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-61.9	125.6	-174.4	-68.9	-168.9	-16	0	0	111.8	F535 P538	F535-Q540 HydrophobicContact CB-CG 4.44Å; F535-Q540 WeakPolarHBondContact O-CG 3.49Å; F535-Q540 PolarHBondContact O-NE2 2.92Å; P538-Q540 VanDerWaalsContact C-N 3.31Å; P538-Q540 PolarHBondContact O-N 3.28Å
541	P	56.1	Low	61.4	Low	39.5 Å²	39.5	86 Å²	86	26%	0.256	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-64.1	149.7	164	27.5	-33.1	0	0	0	110.2	E493 F535 K539 K543 V546	E493-P541 WeakPolarHBondContact O-CB 3.41Å; F535-P541 HydrophobicContact CD2-CG 4.48Å; F535-P541 HydrophobicContact CE2-CG 4.23Å; F535-P541 HydrophobicContact CZ-CG 4.42Å; K539-P541 VanDerWaalsContact O-CD 3.27Å; K539-P541 WeakPolarHBondContact O-CD 3.48Å; P541-K543 PolarHBondContact O-N 3.12Å; P541-V546 HydrophobicContact CB-CG2 4Å; P541-V546 HydrophobicContact CG-CG2 3.59Å
542	D	64.4	Low	61.5	Low	90.5 Å²	90.5	90.8 Å²	90.8	48%	0.484	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-56.3	129.6	179.2	-180	-10.4	0	0	0	109.9	K544 V545 V546	D542-K544 PolarHBondContact O-N 3.27Å; D542-K544 WeakPolarHBondContact OD1-CB 3.41Å; D542-K544 PolarHBondContact OD1-N 3.18Å; D542-V545 HydrophobicContact CB-CG2 4.1Å; D542-V545 WeakPolarHBondContact O-CA 3.44Å; D542-V545 WeakPolarHBondContact O-CB 3.43Å; D542-V545 PolarHBondContact O-N 3.19Å; D542-V546 PolarHBondContact O-N 3.26Å; D542-V546 VanDerWaalsContact O-N 3.1Å
543	K	65.4	Low	61.6	Low	130 Å²	130	86.3 Å²	86.3	57%	0.565	43%	0.431	S	S	*	.	H	α-helix	trans	-47.3	-33	175.3	-116.5	-158.7	175.2	-175.2	0	112.5	W532 P541 S547	W532-K543 HydrophobicContact CH2-CB 4.16Å; W532-K543 HydrophobicContact CH2-CD 3.59Å; W532-K543 VanDerWaalsContact CH2-CE 3.42Å; W532-K543 HydrophobicContact CH2-CG 3.85Å; W532-K543 HydrophobicContact CZ2-CB 4.47Å; W532-K543 HydrophobicContact CZ2-CD 3.82Å; W532-K543 HydrophobicContact CZ2-CG 4.24Å; W532-K543 HydrophobicContact CZ3-CD 4.13Å; W532-K543 HydrophobicContact CZ3-CG 4.44Å; P541-K543 PolarHBondContact O-N 3.12Å; K543-S547 VanDerWaalsContact O-CB 3.28Å; K543-S547 WeakPolarHBondContact O-CB 3.41Å; K543-S547 PolarHBondContact O-N 3.07Å
544	K	68.6	Low	62.1	Low	160.5 Å²	160.5	78.8 Å²	78.8	70%	0.698	40%	0.403	S	S	*	.	H	α-helix	trans	-69.2	-38.7	175.6	-65.1	175.7	179.8	174.8	0	113.3	D542 S548	D542-K544 PolarHBondContact O-N 3.27Å; D542-K544 WeakPolarHBondContact OD1-CB 3.41Å; D542-K544 PolarHBondContact OD1-N 3.18Å; K544-S548 VanDerWaalsContact O-CB 3.23Å; K544-S548 WeakPolarHBondContact O-CB 3.31Å; K544-S548 PolarHBondContact O-N 2.88Å
545	V	65.2	Low	62.7	Low	58.5 Å²	58.5	77.3 Å²	77.3	36%	0.355	40%	0.396	S	S	.	.	H	α-helix	trans	-68.8	-48.7	176.4	176.9	0	0	0	0	109.4	E493 D542 S547 S548 H549	E493-V545 HydrophobicContact CB-CG1 4.35Å; D542-V545 HydrophobicContact CB-CG2 4.1Å; D542-V545 WeakPolarHBondContact O-CA 3.44Å; D542-V545 WeakPolarHBondContact O-CB 3.43Å; D542-V545 PolarHBondContact O-N 3.19Å; V545-S547 PolarHBondContact O-N 3.13Å; V545-S548 CarbonylContact O-C 3.5Å; V545-S548 PolarHBondContact O-N 3.05Å; V545-H549 WeakPolarHBondContact O-CB 3.25Å; V545-H549 PolarHBondContact O-CD2 3.38Å; V545-H549 PolarHBondContact O-N 3.28Å
546	V	66	Low	63.1	Low	19 Å²	19	75.9 Å²	75.9	12%	0.115	39%	0.39	C	S	.	.	H	α-helix	trans	-57.1	-51.6	176	-177	0	0	0	0	110.7	L494 L531 P541 D542 S548 H549 L550	L494-V546 HydrophobicContact CD2-CB 4.32Å; L494-V546 HydrophobicContact CD2-CG1 4.05Å; L494-V546 HydrophobicContact CD2-CG2 4.09Å; L531-V546 HydrophobicContact CD1-CG1 4.44Å; P541-V546 HydrophobicContact CB-CG2 4Å; P541-V546 HydrophobicContact CG-CG2 3.59Å; D542-V546 PolarHBondContact O-N 3.26Å; D542-V546 VanDerWaalsContact O-N 3.1Å; V546-S548 PolarHBondContact O-N 3.14Å; V546-H549 PolarHBondContact O-N 3.12Å; V546-H549 VanDerWaalsContact O-N 3.1Å; V546-L550 HydrophobicContact CG1-CD1 4.09Å; V546-L550 HydrophobicContact CG1-CG 4.43Å; V546-L550 VanDerWaalsContact O-CG 3.3Å; V546-L550 WeakPolarHBondContact O-CG 3.3Å; V546-L550 PolarHBondContact O-N 3.02Å
547	S	67.7	Low	63.7	Low	43 Å²	43	67.5 Å²	67.5	30%	0.301	35%	0.351	S	S	.	.	H	α-helix	trans	-56.7	-50.8	175.7	-173.5	0	0	0	0	111.1	R524 K543 V545 H549 L550 D551	R524-S547 PolarHBondContact NH2-OG 3.12Å; K543-S547 VanDerWaalsContact O-CB 3.28Å; K543-S547 WeakPolarHBondContact O-CB 3.41Å; K543-S547 PolarHBondContact O-N 3.07Å; V545-S547 PolarHBondContact O-N 3.13Å; S547-H549 PolarHBondContact O-N 3.07Å; S547-H549 VanDerWaalsContact O-N 3.17Å; S547-L550 CarbonylContact O-C 3.53Å; S547-L550 WeakPolarHBondContact O-CA 3.37Å; S547-L550 PolarHBondContact O-N 3.08Å; S547-L550 VanDerWaalsContact O-N 3.09Å; S547-D551 WeakPolarHBondContact O-CB 3.35Å; S547-D551 PolarHBondContact O-N 3.35Å; S547-D551 PolarHBondContact OG-OD2 2.85Å; S547-D551 VanDerWaalsContact OG-OD2 3.09Å
548	S	66.8	Low	64.6	Low	53 Å²	53	65.7 Å²	65.7	37%	0.371	34%	0.335	S	S	.	.	H	α-helix	trans	-61.1	-30.3	-178.6	-172.6	0	0	0	0	113	K544 V545 V546 D551 K552	K544-S548 VanDerWaalsContact O-CB 3.23Å; K544-S548 WeakPolarHBondContact O-CB 3.31Å; K544-S548 PolarHBondContact O-N 2.88Å; V545-S548 CarbonylContact O-C 3.5Å; V545-S548 PolarHBondContact O-N 3.05Å; V546-S548 PolarHBondContact O-N 3.14Å; S548-D551 WeakPolarHBondContact CA-OD2 3.46Å; S548-D551 PolarHBondContact N-OD2 2.7Å; S548-D551 PolarHBondContact O-N 3.27Å; S548-K552 WeakPolarHBondContact O-CD 3.44Å; S548-K552 VanDerWaalsContact O-CG 3.24Å; S548-K552 WeakPolarHBondContact O-CG 3.36Å; S548-K552 PolarHBondContact O-N 3.25Å; S548-K552 PolarHBondContact O-NZ 3.07Å; S548-K552 PolarHBondContact OG-NZ 3.15Å
549	H	64	Low	65.6	Low	37 Å²	37	61.4 Å²	61.4	17%	0.171	31%	0.305	C	S	.	.	H	α-helix	trans	-75.2	-44.1	174.8	-74.7	-158.1	0	0	0	110.6	M490 E493 V545 V546 S547 D551 K552 L553	M490-H549 HydrophobicContact CE-CB 3.89Å; M490-H549 HydrophobicContact CG-CB 3.84Å; M490-H549 HydrophobicContact SD-CB 4.26Å; E493-H549 IonicContact OE2-CE1 3.11Å; E493-H549 PolarHBondContact OE2-CE1 2.94Å; E493-H549 VanDerWaalsContact OE2-CE1 3.23Å; E493-H549 IonicContact OE2-ND1 3.23Å; E493-H549 PolarHBondContact OE2-ND1 3.3Å; E493-H549 IonicContact OE2-NE2 3.18Å; V545-H549 WeakPolarHBondContact O-CB 3.25Å; V545-H549 PolarHBondContact O-CD2 3.38Å; V545-H549 PolarHBondContact O-N 3.28Å; V546-H549 PolarHBondContact O-N 3.12Å; V546-H549 VanDerWaalsContact O-N 3.1Å; S547-H549 PolarHBondContact O-N 3.07Å; S547-H549 VanDerWaalsContact O-N 3.17Å; H549-D551 VanDerWaalsContact C-N 3.31Å; H549-D551 PolarHBondContact O-N 3.13Å; H549-K552 PolarHBondContact CD2-NZ 3.24Å; H549-K552 VanDerWaalsContact CD2-NZ 3.3Å; H549-K552 PolarHBondContact NE2-NZ 2.72Å; H549-K552 PolarHBondContact O-N 3.03Å; H549-L553 VanDerWaalsContact O-CB 3.28Å; H549-L553 WeakPolarHBondContact O-CB 3.42Å; H549-L553 PolarHBondContact O-N 3Å
550	L	68.2	Low	66.1	Low	2 Å²	2	54 Å²	54	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-34.7	171.4	-63.3	179.4	0	0	0	112.8	M490 L494 E528 L531 V546 S547 L553 F554	M490-L550 HydrophobicContact CE-CD2 4.48Å; L494-L550 HydrophobicContact CD1-CD2 4.24Å; L494-L550 HydrophobicContact CD2-CD2 3.9Å; E528-L550 HydrophobicContact CG-CD1 3.53Å; L531-L550 HydrophobicContact CD1-CD1 3.99Å; L531-L550 HydrophobicContact CD1-CD2 4.07Å; L531-L550 HydrophobicContact CD1-CG 4.47Å; V546-L550 HydrophobicContact CG1-CD1 4.09Å; V546-L550 HydrophobicContact CG1-CG 4.43Å; V546-L550 VanDerWaalsContact O-CG 3.3Å; V546-L550 WeakPolarHBondContact O-CG 3.3Å; V546-L550 PolarHBondContact O-N 3.02Å; S547-L550 CarbonylContact O-C 3.53Å; S547-L550 WeakPolarHBondContact O-CA 3.37Å; S547-L550 PolarHBondContact O-N 3.08Å; S547-L550 VanDerWaalsContact O-N 3.09Å; L550-L553 HydrophobicContact CD2-CD2 3.79Å; L550-L553 WeakPolarHBondContact O-CB 3.38Å; L550-L553 PolarHBondContact O-N 2.89Å; L550-F554 HydrophobicContact CB-CD2 4.25Å; L550-F554 HydrophobicContact CB-CE2 4.3Å; L550-F554 HydrophobicContact CD2-CE2 4.22Å; L550-F554 VanDerWaalsContact O-CB 3.3Å; L550-F554 WeakPolarHBondContact O-CB 3.33Å; L550-F554 WeakPolarHBondContact O-CD2 3.47Å; L550-F554 PolarHBondContact O-N 3.2Å
551	D	69.4	Low	66.7	Low	63 Å²	63	48.8 Å²	48.8	34%	0.337	25%	0.249	S	C	.	.	H	α-helix	trans	-65.3	-44.3	176.3	-74.1	-55.4	0	0	0	111.7	R524 S547 S548 H549 S555	R524-D551 IonicContact CZ-OD1 3.16Å; R524-D551 IonicContact CZ-OD2 2.63Å; R524-D551 IonicContact NH1-OD1 3.33Å; R524-D551 PolarHBondContact NH1-OD1 2.93Å; R524-D551 IonicContact NH1-OD2 2.73Å; R524-D551 VanDerWaalsContact NH2-CG 3.31Å; R524-D551 IonicContact NH2-OD1 3Å; R524-D551 PolarHBondContact NH2-OD1 3.39Å; R524-D551 IonicContact NH2-OD2 3.41Å; R524-D551 PolarHBondContact NH2-OD2 3.21Å; S547-D551 WeakPolarHBondContact O-CB 3.35Å; S547-D551 PolarHBondContact O-N 3.35Å; S547-D551 PolarHBondContact OG-OD2 2.85Å; S547-D551 VanDerWaalsContact OG-OD2 3.09Å; S548-D551 WeakPolarHBondContact CA-OD2 3.46Å; S548-D551 PolarHBondContact N-OD2 2.7Å; S548-D551 PolarHBondContact O-N 3.27Å; H549-D551 VanDerWaalsContact C-N 3.31Å; H549-D551 PolarHBondContact O-N 3.13Å; D551-S555 VanDerWaalsContact O-CB 3.28Å; D551-S555 WeakPolarHBondContact O-CB 3.24Å; D551-S555 PolarHBondContact O-N 3.04Å; D551-S555 VanDerWaalsContact O-N 3.11Å; D551-S555 PolarHBondContact O-OG 3.3Å
552	K	66.4	Low	67.3	Low	108.5 Å²	108.5	48.9 Å²	48.9	47%	0.472	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-47.7	173	-67.4	170.5	-166.3	137.3	0	110.9	S548 H549 S555 S556	S548-K552 WeakPolarHBondContact O-CD 3.44Å; S548-K552 VanDerWaalsContact O-CG 3.24Å; S548-K552 WeakPolarHBondContact O-CG 3.36Å; S548-K552 PolarHBondContact O-N 3.25Å; S548-K552 PolarHBondContact O-NZ 3.07Å; S548-K552 PolarHBondContact OG-NZ 3.15Å; H549-K552 PolarHBondContact CD2-NZ 3.24Å; H549-K552 VanDerWaalsContact CD2-NZ 3.3Å; H549-K552 PolarHBondContact NE2-NZ 2.72Å; H549-K552 PolarHBondContact O-N 3.03Å; K552-S555 WeakPolarHBondContact O-CB 3.26Å; K552-S555 PolarHBondContact O-N 2.96Å; K552-S556 WeakPolarHBondContact O-CB 3.13Å; K552-S556 PolarHBondContact O-N 2.92Å
553	L	66.9	Low	67.4	Low	3.5 Å²	3.5	46.9 Å²	46.9	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-57.8	-56.1	-179.8	173.1	62	0	0	0	111.8	L444 F485 M490 L494 L502 F504 H549 L550 S555 S556 I557	L444-L553 HydrophobicContact CD1-CD1 3.68Å; L444-L553 HydrophobicContact CG-CD1 4.16Å; F485-L553 HydrophobicContact CD1-CD1 3.23Å; F485-L553 HydrophobicContact CD2-CD1 3.9Å; F485-L553 HydrophobicContact CE1-CD1 3.1Å; F485-L553 HydrophobicContact CE1-CG 4.43Å; F485-L553 HydrophobicContact CE2-CD1 3.82Å; F485-L553 HydrophobicContact CG-CD1 3.62Å; F485-L553 HydrophobicContact CZ-CD1 3.43Å; F485-L553 VanDerWaalsContact CZ-CD1 3.43Å; F485-L553 HydrophobicContact CZ-CG 4.44Å; M490-L553 HydrophobicContact CE-CB 3.68Å; M490-L553 HydrophobicContact CE-CD1 4.01Å; M490-L553 HydrophobicContact CE-CD2 3.87Å; M490-L553 HydrophobicContact CE-CG 4.17Å; M490-L553 HydrophobicContact SD-CB 4.04Å; M490-L553 HydrophobicContact SD-CD1 4.12Å; M490-L553 HydrophobicContact SD-CD2 4.17Å; M490-L553 HydrophobicContact SD-CG 4.18Å; L494-L553 HydrophobicContact CD1-CD2 4.49Å; L502-L553 HydrophobicContact CD1-CD1 4.3Å; L502-L553 HydrophobicContact CD1-CD2 4.2Å; L502-L553 HydrophobicContact CD2-CD2 3.67Å; F504-L553 HydrophobicContact CE2-CD2 3.99Å; F504-L553 HydrophobicContact CE2-CG 4.44Å; F504-L553 HydrophobicContact CZ-CD2 3.63Å; F504-L553 HydrophobicContact CZ-CG 4.33Å; H549-L553 VanDerWaalsContact O-CB 3.28Å; H549-L553 WeakPolarHBondContact O-CB 3.42Å; H549-L553 PolarHBondContact O-N 3Å; L550-L553 HydrophobicContact CD2-CD2 3.79Å; L550-L553 WeakPolarHBondContact O-CB 3.38Å; L550-L553 PolarHBondContact O-N 2.89Å; L553-S555 VanDerWaalsContact C-N 3.28Å; L553-S555 PolarHBondContact O-N 3.03Å; L553-S556 WeakPolarHBondContact O-CA 3.35Å; L553-S556 VanDerWaalsContact O-CB 3.24Å; L553-S556 WeakPolarHBondContact O-CB 3.42Å; L553-S556 PolarHBondContact O-N 3.31Å; L553-S556 VanDerWaalsContact O-N 3.08Å; L553-I557 HydrophobicContact CD1-CD1 4Å; L553-I557 HydrophobicContact CD1-CG1 4.06Å; L553-I557 HydrophobicContact CG-CD1 4.01Å; L553-I557 WeakPolarHBondContact O-CG1 3.14Å; L553-I557 PolarHBondContact O-N 3.02Å
554	F	70.8	Confident	67.5	Low	8.5 Å²	8.5	41.6 Å²	41.6	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-71	-23.9	-179.3	-77.1	-65.8	0	0	0	112.6	F504 I520 L523 R524 L550 I557 R558	F504-F554 HydrophobicContact CD1-CE1 4.49Å; F504-F554 HydrophobicContact CD1-CZ 4.02Å; F504-F554 HydrophobicContact CE1-CE1 4.17Å; F504-F554 AromaticContact CE1-CE2 4Å; F504-F554 HydrophobicContact CE1-CE2 4Å; F504-F554 AromaticContact CE1-CZ 3.37Å; F504-F554 HydrophobicContact CE1-CZ 3.37Å; F504-F554 HydrophobicContact CZ-CE2 4.28Å; F504-F554 AromaticContact CZ-CZ 3.97Å; F504-F554 HydrophobicContact CZ-CZ 3.97Å; I520-F554 HydrophobicContact CG2-CB 3.92Å; I520-F554 HydrophobicContact CG2-CD1 3.85Å; I520-F554 HydrophobicContact CG2-CG 4.2Å; L523-F554 HydrophobicContact CB-CE1 3.91Å; L523-F554 HydrophobicContact CB-CZ 4.27Å; R524-F554 VanDerWaalsContact CA-CE2 3.46Å; R524-F554 HydrophobicContact CB-CD1 4.35Å; R524-F554 HydrophobicContact CB-CD2 3.79Å; R524-F554 HydrophobicContact CB-CE1 4.24Å; R524-F554 HydrophobicContact CB-CE2 3.64Å; R524-F554 HydrophobicContact CB-CG 4.25Å; R524-F554 HydrophobicContact CB-CZ 3.95Å; R524-F554 HydrophobicContact CG-CD2 3.85Å; R524-F554 HydrophobicContact CG-CE2 3.82Å; R524-F554 HydrophobicContact CG-CG 4.48Å; L550-F554 HydrophobicContact CB-CD2 4.25Å; L550-F554 HydrophobicContact CB-CE2 4.3Å; L550-F554 HydrophobicContact CD2-CE2 4.22Å; L550-F554 VanDerWaalsContact O-CB 3.3Å; L550-F554 WeakPolarHBondContact O-CB 3.33Å; L550-F554 WeakPolarHBondContact O-CD2 3.47Å; L550-F554 PolarHBondContact O-N 3.2Å; F554-I557 HydrophobicContact CD1-CB 4.21Å; F554-I557 HydrophobicContact CD1-CD1 3.68Å; F554-I557 HydrophobicContact CD1-CG1 4.46Å; F554-I557 HydrophobicContact CD1-CG2 4.27Å; F554-I557 HydrophobicContact CE1-CD1 3.76Å; F554-I557 HydrophobicContact CG-CD1 4.21Å; F554-I557 HydrophobicContact CZ-CD1 4.26Å; F554-R558 VanDerWaalsContact O-CB 3.29Å; F554-R558 WeakPolarHBondContact O-CB 3.34Å; F554-R558 PolarHBondContact O-N 3.36Å
555	S	68.6	Low	67.4	Low	55.5 Å²	55.5	34.5 Å²	34.5	39%	0.388	18%	0.181	S	C	.	.	H	α-helix	trans	-67	-39.8	166.1	-63.8	0	0	0	0	112.6	D551 K552 L553 R558 L559	D551-S555 VanDerWaalsContact O-CB 3.28Å; D551-S555 WeakPolarHBondContact O-CB 3.24Å; D551-S555 PolarHBondContact O-N 3.04Å; D551-S555 VanDerWaalsContact O-N 3.11Å; D551-S555 PolarHBondContact O-OG 3.3Å; K552-S555 WeakPolarHBondContact O-CB 3.26Å; K552-S555 PolarHBondContact O-N 2.96Å; L553-S555 VanDerWaalsContact C-N 3.28Å; L553-S555 PolarHBondContact O-N 3.03Å; S555-R558 PolarHBondContact O-N 2.95Å; S555-L559 VanDerWaalsContact O-CG 3.29Å; S555-L559 WeakPolarHBondContact O-CG 3.14Å; S555-L559 PolarHBondContact O-N 3.13Å; S555-L559 VanDerWaalsContact O-N 3.12Å
556	S	65	Low	67.6	Low	2 Å²	2	35.1 Å²	35.1	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-64.6	-50.5	173.1	-176.5	0	0	0	0	111.7	T443 L444 K552 L553 R558 L559 Q560	T443-S556 VanDerWaalsContact C-OG 3.28Å; T443-S556 VanDerWaalsContact CA-OG 3.32Å; T443-S556 WeakPolarHBondContact CA-OG 3.33Å; T443-S556 WeakPolarHBondContact CB-OG 3.41Å; T443-S556 WeakPolarHBondContact CG2-OG 3.38Å; L444-S556 PolarHBondContact N-OG 3.28Å; L444-S556 VanDerWaalsContact N-OG 3.14Å; L444-S556 PolarHBondContact O-OG 3.36Å; K552-S556 WeakPolarHBondContact O-CB 3.13Å; K552-S556 PolarHBondContact O-N 2.92Å; L553-S556 WeakPolarHBondContact O-CA 3.35Å; L553-S556 VanDerWaalsContact O-CB 3.24Å; L553-S556 WeakPolarHBondContact O-CB 3.42Å; L553-S556 PolarHBondContact O-N 3.31Å; L553-S556 VanDerWaalsContact O-N 3.08Å; S556-R558 VanDerWaalsContact C-N 3.3Å; S556-R558 PolarHBondContact O-N 3.05Å; S556-L559 PolarHBondContact O-N 2.83Å; S556-L559 VanDerWaalsContact O-N 3.1Å; S556-Q560 WeakPolarHBondContact O-CG 3.5Å; S556-Q560 PolarHBondContact O-N 3.1Å; S556-Q560 VanDerWaalsContact O-N 3.08Å; S556-Q560 PolarHBondContact OG-NE2 3.22Å
557	I	67.7	Low	67.5	Low	1.5 Å²	1.5	35.1 Å²	35.1	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-54.3	-46.3	175.6	-68	169.9	0	0	0	109.7	L444 L483 F485 F504 I520 L553 F554 L559 Q560 M561	L444-I557 HydrophobicContact CD1-CD1 4.32Å; L444-I557 HydrophobicContact CD1-CG1 4.39Å; L483-I557 HydrophobicContact CD1-CG2 4.15Å; F485-I557 HydrophobicContact CD1-CG1 3.85Å; F485-I557 HydrophobicContact CE1-CB 4.08Å; F485-I557 HydrophobicContact CE1-CG1 3.66Å; F485-I557 HydrophobicContact CE1-CG2 4.03Å; F485-I557 HydrophobicContact CE2-CD1 3.88Å; F485-I557 HydrophobicContact CE2-CG1 3.98Å; F485-I557 HydrophobicContact CZ-CB 4.4Å; F485-I557 HydrophobicContact CZ-CD1 3.81Å; F485-I557 HydrophobicContact CZ-CG1 3.86Å; F485-I557 VanDerWaalsContact CZ-CG1 3.48Å; F485-I557 HydrophobicContact CZ-CG2 3.83Å; F504-I557 HydrophobicContact CD2-CD1 4.31Å; F504-I557 HydrophobicContact CE1-CG2 4.17Å; F504-I557 HydrophobicContact CE2-CD1 4.07Å; F504-I557 HydrophobicContact CZ-CD1 4.27Å; F504-I557 HydrophobicContact CZ-CG2 4.17Å; I520-I557 HydrophobicContact CD1-CB 4.43Å; I520-I557 HydrophobicContact CD1-CG2 3.86Å; I520-I557 HydrophobicContact CG1-CG2 4.15Å; L553-I557 HydrophobicContact CD1-CD1 4Å; L553-I557 HydrophobicContact CD1-CG1 4.06Å; L553-I557 HydrophobicContact CG-CD1 4.01Å; L553-I557 WeakPolarHBondContact O-CG1 3.14Å; L553-I557 PolarHBondContact O-N 3.02Å; F554-I557 HydrophobicContact CD1-CB 4.21Å; F554-I557 HydrophobicContact CD1-CD1 3.68Å; F554-I557 HydrophobicContact CD1-CG1 4.46Å; F554-I557 HydrophobicContact CD1-CG2 4.27Å; F554-I557 HydrophobicContact CE1-CD1 3.76Å; F554-I557 HydrophobicContact CG-CD1 4.21Å; F554-I557 HydrophobicContact CZ-CD1 4.26Å; I557-L559 PolarHBondContact O-N 2.82Å; I557-Q560 PolarHBondContact O-N 3.39Å; I557-M561 HydrophobicContact CG2-CG 4.11Å; I557-M561 HydrophobicContact CG2-SD 3.41Å; I557-M561 VanDerWaalsContact CG2-SD 3.52Å; I557-M561 WeakPolarHBondContact CG2-SD 3.44Å; I557-M561 WeakPolarHBondContact O-CA 3.11Å; I557-M561 WeakPolarHBondContact O-CB 3.36Å; I557-M561 VanDerWaalsContact O-CG 3.26Å; I557-M561 WeakPolarHBondContact O-CG 3.37Å; I557-M561 PolarHBondContact O-N 3.2Å
558	R	70	Confident	67.4	Low	84 Å²	84	34.2 Å²	34.2	32%	0.317	17%	0.171	S	C	.	.	H	α-helix	trans	-57.8	-50.1	177.1	-173.7	179.7	61.3	71.5	-1	112.5	I516 I520 F554 S555 S556 Q560 M561 Q562	I516-R558 HydrophobicContact CG2-CB 4.44Å; I516-R558 HydrophobicContact CG2-CG 3.9Å; I520-R558 HydrophobicContact CD1-CB 3.53Å; I520-R558 HydrophobicContact CD1-CG 3.88Å; I520-R558 VanDerWaalsContact CD1-N 3.34Å; F554-R558 VanDerWaalsContact O-CB 3.29Å; F554-R558 WeakPolarHBondContact O-CB 3.34Å; F554-R558 PolarHBondContact O-N 3.36Å; S555-R558 PolarHBondContact O-N 2.95Å; S556-R558 VanDerWaalsContact C-N 3.3Å; S556-R558 PolarHBondContact O-N 3.05Å; R558-Q560 VanDerWaalsContact C-N 3.34Å; R558-Q560 PolarHBondContact O-N 3.38Å; R558-M561 PolarHBondContact O-N 3.4Å; R558-Q562 HydrophobicContact CG-CG 4.38Å; R558-Q562 WeakPolarHBondContact O-CB 3.44Å; R558-Q562 VanDerWaalsContact O-CG 3.28Å; R558-Q562 WeakPolarHBondContact O-CG 3.4Å; R558-Q562 PolarHBondContact O-N 3.21Å
559	L	68.3	Low	67.5	Low	29 Å²	29	32.9 Å²	32.9	15%	0.152	16%	0.159	C	C	.	.	H	α-helix	trans	-65.8	-38.4	-177	-98.8	122.7	0	0	0	111.9	D422 E423 F426 P441 T443 S555 S556 I557 F563	D422-L559 HydrophobicContact CB-CD2 4.26Å; E423-L559 HydrophobicContact CG-CB 4.4Å; E423-L559 HydrophobicContact CG-CD2 3.7Å; F426-L559 HydrophobicContact CB-CB 4.39Å; F426-L559 HydrophobicContact CB-CD1 3.87Å; F426-L559 HydrophobicContact CD2-CD1 3.35Å; F426-L559 HydrophobicContact CE2-CD1 4.07Å; F426-L559 HydrophobicContact CG-CD1 3.84Å; P441-L559 HydrophobicContact CB-CD2 4.42Å; T443-L559 HydrophobicContact CG2-CB 3.87Å; T443-L559 HydrophobicContact CG2-CD2 3.55Å; T443-L559 HydrophobicContact CG2-CG 4.34Å; S555-L559 VanDerWaalsContact O-CG 3.29Å; S555-L559 WeakPolarHBondContact O-CG 3.14Å; S555-L559 PolarHBondContact O-N 3.13Å; S555-L559 VanDerWaalsContact O-N 3.12Å; S556-L559 PolarHBondContact O-N 2.83Å; S556-L559 VanDerWaalsContact O-N 3.1Å; I557-L559 PolarHBondContact O-N 2.82Å; L559-F563 WeakPolarHBondContact O-CB 3.49Å; L559-F563 PolarHBondContact O-N 2.96Å
560	Q	67.6	Low	67.5	Low	34 Å²	34	31.3 Å²	31.3	16%	0.159	15%	0.154	C	C	.	.	H	α-helix	trans	-77.8	-33.9	178.9	-64.1	-174.1	35.6	0	0	112.9	F426 L444 V446 S556 I557 R558 F563 L564	F426-Q560 PolarHBondContact O-NE2 3.06Å; L444-Q560 VanDerWaalsContact O-CD 3.27Å; L444-Q560 PolarHBondContact O-NE2 2.98Å; L444-Q560 PolarHBondContact O-OE1 3.32Å; L444-Q560 VanDerWaalsContact O-OE1 3.08Å; V446-Q560 HydrophobicContact CG2-CB 3.48Å; V446-Q560 VanDerWaalsContact CG2-CB 3.48Å; V446-Q560 HydrophobicContact CG2-CG 4.48Å; V446-Q560 VanDerWaalsContact CG2-OE1 3.31Å; S556-Q560 WeakPolarHBondContact O-CG 3.5Å; S556-Q560 PolarHBondContact O-N 3.1Å; S556-Q560 VanDerWaalsContact O-N 3.08Å; S556-Q560 PolarHBondContact OG-NE2 3.22Å; I557-Q560 PolarHBondContact O-N 3.39Å; R558-Q560 VanDerWaalsContact C-N 3.34Å; R558-Q560 PolarHBondContact O-N 3.38Å; Q560-F563 WeakPolarHBondContact O-CB 3.31Å; Q560-F563 PolarHBondContact O-N 3.37Å; Q560-L564 VanDerWaalsContact O-CB 3.29Å; Q560-L564 WeakPolarHBondContact O-CB 3.44Å; Q560-L564 PolarHBondContact O-N 3.15Å
561	M	67.7	Low	67.4	Low	1.5 Å²	1.5	36 Å²	36	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-66.9	-43.3	170.2	-74.4	174.1	65.7	0	0	111.9	L483 F485 F504 L506 I516 L519 I520 L523 I557 R558 F563 L564 V565	L483-M561 HydrophobicContact CD1-CG 4.18Å; F485-M561 HydrophobicContact CZ-CG 4.39Å; F504-M561 HydrophobicContact CE1-SD 4.46Å; F504-M561 HydrophobicContact CE2-CE 3.74Å; F504-M561 HydrophobicContact CE2-CG 4.4Å; F504-M561 HydrophobicContact CE2-SD 3.87Å; F504-M561 HydrophobicContact CZ-CE 3.95Å; F504-M561 HydrophobicContact CZ-CG 4.04Å; F504-M561 HydrophobicContact CZ-SD 3.43Å; F504-M561 WeakPolarHBondContact CZ-SD 3.46Å; L506-M561 HydrophobicContact CD1-CE 3.69Å; L506-M561 HydrophobicContact CD1-SD 4.37Å; L506-M561 HydrophobicContact CD2-CE 3.8Å; L506-M561 HydrophobicContact CD2-CG 4.11Å; L506-M561 HydrophobicContact CD2-SD 3.93Å; L506-M561 HydrophobicContact CG-CE 4.34Å; I516-M561 HydrophobicContact CD1-CB 4.32Å; I516-M561 HydrophobicContact CG1-CE 4.21Å; I516-M561 HydrophobicContact CG2-CB 4.16Å; I516-M561 HydrophobicContact CG2-CE 3.81Å; I516-M561 HydrophobicContact CG2-SD 4.08Å; L519-M561 HydrophobicContact CD2-CE 3.58Å; L519-M561 HydrophobicContact CG-CE 4.22Å; I520-M561 HydrophobicContact CD1-SD 4.11Å; I520-M561 HydrophobicContact CG1-CE 4.22Å; I520-M561 HydrophobicContact CG1-SD 4.08Å; L523-M561 HydrophobicContact CD1-CE 4.37Å; L523-M561 HydrophobicContact CD1-SD 4.28Å; I557-M561 HydrophobicContact CG2-CG 4.11Å; I557-M561 HydrophobicContact CG2-SD 3.41Å; I557-M561 VanDerWaalsContact CG2-SD 3.52Å; I557-M561 WeakPolarHBondContact CG2-SD 3.44Å; I557-M561 WeakPolarHBondContact O-CA 3.11Å; I557-M561 WeakPolarHBondContact O-CB 3.36Å; I557-M561 VanDerWaalsContact O-CG 3.26Å; I557-M561 WeakPolarHBondContact O-CG 3.37Å; I557-M561 PolarHBondContact O-N 3.2Å; R558-M561 PolarHBondContact O-N 3.4Å; M561-F563 VanDerWaalsContact C-N 3.35Å; M561-F563 PolarHBondContact O-N 3.03Å; M561-F563 VanDerWaalsContact O-N 3.17Å; M561-L564 PolarHBondContact O-N 3.29Å; M561-L564 VanDerWaalsContact O-N 3.16Å; M561-V565 VanDerWaalsContact O-CB 3.25Å; M561-V565 WeakPolarHBondContact O-CB 3.49Å; M561-V565 VanDerWaalsContact O-CG2 3.27Å; M561-V565 WeakPolarHBondContact O-CG2 3.43Å; M561-V565 PolarHBondContact O-N 3.01Å
562	Q	68.1	Low	67.2	Low	42 Å²	42	37.4 Å²	37.4	20%	0.196	18%	0.175	C	C	.	.	H	α-helix	trans	-59.6	-35.4	174.8	-75.6	-177.4	-45.7	0	0	111.8	E423 D513 I516 R558 K566	E423-Q562 HydrophobicContact CG-CB 4.25Å; D513-Q562 VanDerWaalsContact OD1-CG 3.29Å; D513-Q562 WeakPolarHBondContact OD1-CG 3.14Å; D513-Q562 PolarHBondContact OD1-NE2 3.38Å; I516-Q562 HydrophobicContact CD1-CG 4.07Å; I516-Q562 HydrophobicContact CG2-CG 4.21Å; R558-Q562 HydrophobicContact CG-CG 4.38Å; R558-Q562 WeakPolarHBondContact O-CB 3.44Å; R558-Q562 VanDerWaalsContact O-CG 3.28Å; R558-Q562 WeakPolarHBondContact O-CG 3.4Å; R558-Q562 PolarHBondContact O-N 3.21Å; Q562-K566 WeakPolarHBondContact O-CB 3.4Å; Q562-K566 WeakPolarHBondContact O-CD 3.24Å; Q562-K566 VanDerWaalsContact O-CG 3.27Å; Q562-K566 WeakPolarHBondContact O-CG 3.37Å; Q562-K566 PolarHBondContact O-N 2.81Å
563	F	67.5	Low	67.2	Low	48.5 Å²	48.5	35.2 Å²	35.2	21%	0.213	16%	0.163	C	C	.	.	H	α-helix	trans	-70.1	-52.3	171.9	-172.7	-85.4	0	0	0	111.9	V406 A409 P419 L424 H427 L559 Q560 M561 V565 K566 V567	V406-F563 HydrophobicContact CG2-CZ 4.07Å; A409-F563 HydrophobicContact CB-CE2 3.9Å; A409-F563 HydrophobicContact CB-CZ 3.91Å; P419-F563 HydrophobicContact CB-CD2 3.75Å; P419-F563 HydrophobicContact CB-CE2 4.22Å; P419-F563 HydrophobicContact CG-CD2 4.15Å; P419-F563 HydrophobicContact CG-CE2 4.09Å; L424-F563 HydrophobicContact CD2-CD2 4.48Å; L424-F563 HydrophobicContact CD2-CE2 3.98Å; H427-F563 AromaticContact CD2-CD1 3.97Å; H427-F563 AromaticContact CD2-CE1 3.86Å; H427-F563 AromaticContact NE2-CE1 3.71Å; H427-F563 AromaticContact NE2-CZ 3.98Å; L559-F563 WeakPolarHBondContact O-CB 3.49Å; L559-F563 PolarHBondContact O-N 2.96Å; Q560-F563 WeakPolarHBondContact O-CB 3.31Å; Q560-F563 PolarHBondContact O-N 3.37Å; M561-F563 VanDerWaalsContact C-N 3.35Å; M561-F563 PolarHBondContact O-N 3.03Å; M561-F563 VanDerWaalsContact O-N 3.17Å; F563-V565 VanDerWaalsContact C-N 3.35Å; F563-V565 PolarHBondContact O-N 3.43Å; F563-K566 CarbonylContact O-C 3.59Å; F563-K566 WeakPolarHBondContact O-CA 3.43Å; F563-K566 WeakPolarHBondContact O-CB 3.42Å; F563-K566 PolarHBondContact O-N 2.92Å; F563-V567 HydrophobicContact CD1-CG2 4.04Å; F563-V567 HydrophobicContact CE1-CB 4.38Å; F563-V567 HydrophobicContact CE1-CG2 3.57Å; F563-V567 HydrophobicContact CZ-CG2 4.02Å; F563-V567 WeakPolarHBondContact O-CB 3.18Å; F563-V567 WeakPolarHBondContact O-CG2 3.4Å; F563-V567 PolarHBondContact O-N 3.34Å
564	L	66.7	Low	67.1	Low	19.5 Å²	19.5	38.5 Å²	38.5	10%	0.102	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-40.9	-176.8	-174.2	63.6	0	0	0	112.7	V446 V448 L462 L481 L483 L506 Q560 M561 V567 L568	V446-L564 HydrophobicContact CG1-CD2 3.95Å; V448-L564 HydrophobicContact CG1-CD2 4Å; V448-L564 HydrophobicContact CG2-CD2 4.3Å; L462-L564 HydrophobicContact CD1-CD1 4.04Å; L462-L564 HydrophobicContact CD2-CD1 3.98Å; L481-L564 HydrophobicContact CD1-CD2 3.76Å; L481-L564 HydrophobicContact CD2-CD2 4.02Å; L483-L564 HydrophobicContact CD1-CD2 4.2Å; L483-L564 HydrophobicContact CD2-CD2 3.75Å; L506-L564 HydrophobicContact CD2-CD2 4.5Å; Q560-L564 VanDerWaalsContact O-CB 3.29Å; Q560-L564 WeakPolarHBondContact O-CB 3.44Å; Q560-L564 PolarHBondContact O-N 3.15Å; M561-L564 PolarHBondContact O-N 3.29Å; M561-L564 VanDerWaalsContact O-N 3.16Å; L564-V567 HydrophobicContact CD1-CG1 4.41Å; L564-V567 PolarHBondContact O-N 3.46Å; L564-V567 VanDerWaalsContact O-N 3.15Å; L564-L568 HydrophobicContact CD1-CD1 3.87Å; L564-L568 HydrophobicContact CD1-CG 4.18Å; L564-L568 HydrophobicContact CD2-CD1 4.48Å; L564-L568 HydrophobicContact CG-CD1 3.84Å; L564-L568 HydrophobicContact CG-CG 4.21Å; L564-L568 WeakPolarHBondContact O-CB 3.25Å; L564-L568 WeakPolarHBondContact O-CD1 3.31Å; L564-L568 VanDerWaalsContact O-CG 3.31Å; L564-L568 WeakPolarHBondContact O-CG 3.26Å; L564-L568 PolarHBondContact O-N 2.95Å
565	V	68	Low	66.8	Low	11 Å²	11	40.6 Å²	40.6	7%	0.067	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-43.6	174.2	173.3	0	0	0	0	110.7	L506 I508 A511 I516 M561 F563 V567 L568 L569	L506-V565 HydrophobicContact CD1-CG2 4.38Å; L506-V565 HydrophobicContact CD2-CG2 4.01Å; I508-V565 HydrophobicContact CG2-CG1 4.23Å; A511-V565 HydrophobicContact CB-CG2 4.09Å; I516-V565 HydrophobicContact CD1-CB 4.14Å; I516-V565 HydrophobicContact CD1-CG1 4.04Å; I516-V565 HydrophobicContact CD1-CG2 4.36Å; M561-V565 VanDerWaalsContact O-CB 3.25Å; M561-V565 WeakPolarHBondContact O-CB 3.49Å; M561-V565 VanDerWaalsContact O-CG2 3.27Å; M561-V565 WeakPolarHBondContact O-CG2 3.43Å; M561-V565 PolarHBondContact O-N 3.01Å; F563-V565 VanDerWaalsContact C-N 3.35Å; F563-V565 PolarHBondContact O-N 3.43Å; V565-V567 VanDerWaalsContact C-N 3.35Å; V565-V567 PolarHBondContact O-N 3.28Å; V565-L568 PolarHBondContact O-N 3.04Å; V565-L568 VanDerWaalsContact O-N 3.17Å; V565-L569 HydrophobicContact CG1-CD1 3.66Å; V565-L569 HydrophobicContact CG1-CG 4.14Å; V565-L569 VanDerWaalsContact O-CB 3.24Å; V565-L569 WeakPolarHBondContact O-CB 3.26Å; V565-L569 WeakPolarHBondContact O-CG 3.33Å; V565-L569 PolarHBondContact O-N 3.2Å
566	K	67.4	Low	66.5	Low	71 Å²	71	40.3 Å²	40.3	31%	0.309	19%	0.19	S	C	.	.	H	α-helix	trans	-62.1	-30.7	174.1	-78.4	176.5	174.9	147.6	0	112.8	E423 D513 Q562 F563 G570	E423-K566 IonicContact OE1-NZ 2.65Å; E423-K566 PolarHBondContact OE1-NZ 3.45Å; E423-K566 WeakPolarHBondContact OE2-CD 3.47Å; E423-K566 IonicContact OE2-NZ 3.32Å; E423-K566 PolarHBondContact OE2-NZ 3.36Å; D513-K566 IonicContact OD1-NZ 3.53Å; D513-K566 PolarHBondContact OD1-NZ 3.49Å; D513-K566 VanDerWaalsContact OD2-CE 3.32Å; D513-K566 WeakPolarHBondContact OD2-CE 3.3Å; D513-K566 IonicContact OD2-NZ 2.66Å; D513-K566 PolarHBondContact OD2-NZ 3.14Å; Q562-K566 WeakPolarHBondContact O-CB 3.4Å; Q562-K566 WeakPolarHBondContact O-CD 3.24Å; Q562-K566 VanDerWaalsContact O-CG 3.27Å; Q562-K566 WeakPolarHBondContact O-CG 3.37Å; Q562-K566 PolarHBondContact O-N 2.81Å; F563-K566 CarbonylContact O-C 3.59Å; F563-K566 WeakPolarHBondContact O-CA 3.43Å; F563-K566 WeakPolarHBondContact O-CB 3.42Å; F563-K566 PolarHBondContact O-N 2.92Å; K566-G570 WeakPolarHBondContact O-CA 3.23Å; K566-G570 PolarHBondContact O-N 2.9Å
567	V	65.8	Low	66.4	Low	18.5 Å²	18.5	42.4 Å²	42.4	11%	0.112	20%	0.201	C	C	.	.	H	α-helix	trans	-77.1	-48.2	177.4	150.5	0	0	0	0	111.9	E405 A409 F563 L564 V565 G570 K571	E405-V567 HydrophobicContact CG-CG1 4.44Å; A409-V567 HydrophobicContact CB-CG2 3.71Å; F563-V567 HydrophobicContact CD1-CG2 4.04Å; F563-V567 HydrophobicContact CE1-CB 4.38Å; F563-V567 HydrophobicContact CE1-CG2 3.57Å; F563-V567 HydrophobicContact CZ-CG2 4.02Å; F563-V567 WeakPolarHBondContact O-CB 3.18Å; F563-V567 WeakPolarHBondContact O-CG2 3.4Å; F563-V567 PolarHBondContact O-N 3.34Å; L564-V567 HydrophobicContact CD1-CG1 4.41Å; L564-V567 PolarHBondContact O-N 3.46Å; L564-V567 VanDerWaalsContact O-N 3.15Å; V565-V567 VanDerWaalsContact C-N 3.35Å; V565-V567 PolarHBondContact O-N 3.28Å; V567-G570 VanDerWaalsContact O-CA 3.27Å; V567-G570 WeakPolarHBondContact O-CA 3.44Å; V567-G570 PolarHBondContact O-N 3.08Å; V567-K571 HydrophobicContact CG1-CD 4.15Å; V567-K571 WeakPolarHBondContact O-CG 3.45Å; V567-K571 PolarHBondContact O-N 3.01Å
568	L	65.5	Low	66.3	Low	24 Å²	24	45.3 Å²	45.3	13%	0.126	22%	0.216	C	C	.	.	H	α-helix	trans	-74.1	-41.1	-176.8	-67.3	172.4	0	0	0	112.1	L462 F465 V466 L481 I508 L564 V565 G570 K571 R572	L462-L568 HydrophobicContact CB-CD2 4.01Å; L462-L568 HydrophobicContact CD2-CD1 4.04Å; L462-L568 HydrophobicContact CD2-CD2 3.98Å; L462-L568 HydrophobicContact CD2-CG 4.45Å; F465-L568 HydrophobicContact CE1-CD1 4.21Å; F465-L568 HydrophobicContact CE1-CD2 4.33Å; F465-L568 HydrophobicContact CZ-CD1 4.19Å; V466-L568 HydrophobicContact CG2-CB 4.49Å; V466-L568 HydrophobicContact CG2-CD2 3.56Å; L481-L568 HydrophobicContact CD1-CD1 4.16Å; L481-L568 HydrophobicContact CD2-CD1 3.81Å; I508-L568 HydrophobicContact CD1-CB 3.77Å; I508-L568 HydrophobicContact CD1-CD1 3.74Å; I508-L568 VanDerWaalsContact CD1-CD1 3.47Å; I508-L568 HydrophobicContact CD1-CD2 4.48Å; I508-L568 HydrophobicContact CD1-CG 4.09Å; L564-L568 HydrophobicContact CD1-CD1 3.87Å; L564-L568 HydrophobicContact CD1-CG 4.18Å; L564-L568 HydrophobicContact CD2-CD1 4.48Å; L564-L568 HydrophobicContact CG-CD1 3.84Å; L564-L568 HydrophobicContact CG-CG 4.21Å; L564-L568 WeakPolarHBondContact O-CB 3.25Å; L564-L568 WeakPolarHBondContact O-CD1 3.31Å; L564-L568 VanDerWaalsContact O-CG 3.31Å; L564-L568 WeakPolarHBondContact O-CG 3.26Å; L564-L568 PolarHBondContact O-N 2.95Å; V565-L568 PolarHBondContact O-N 3.04Å; V565-L568 VanDerWaalsContact O-N 3.17Å; L568-G570 PolarHBondContact O-N 3.21Å; L568-K571 PolarHBondContact O-N 2.82Å; L568-R572 WeakPolarHBondContact O-CB 3.21Å; L568-R572 PolarHBondContact O-N 3.11Å
569	L	67.8	Low	66.1	Low	25.5 Å²	25.5	45.1 Å²	45.1	13%	0.134	23%	0.228	C	C	.	.	H	α-helix	trans	-73.4	-15.5	168.8	-56.9	-179.3	0	0	0	111.6	F417 L469 I508 Y509 E512 V565 K571 R572 W573 L629	F417-L569 HydrophobicContact CD1-CB 3.87Å; F417-L569 HydrophobicContact CE1-CB 3.5Å; F417-L569 VanDerWaalsContact CE1-CB 3.5Å; F417-L569 HydrophobicContact CE1-CD1 4.19Å; F417-L569 HydrophobicContact CE1-CG 4.48Å; F417-L569 HydrophobicContact CZ-CB 4.07Å; L469-L569 HydrophobicContact CD2-CD2 4.15Å; I508-L569 HydrophobicContact CG2-CD2 3.89Å; I508-L569 HydrophobicContact CG2-CG 4Å; Y509-L569 HydrophobicContact CE1-CD2 4.45Å; E512-L569 HydrophobicContact CG-CD1 4.08Å; E512-L569 HydrophobicContact CG-CD2 4.21Å; V565-L569 HydrophobicContact CG1-CD1 3.66Å; V565-L569 HydrophobicContact CG1-CG 4.14Å; V565-L569 VanDerWaalsContact O-CB 3.24Å; V565-L569 WeakPolarHBondContact O-CB 3.26Å; V565-L569 WeakPolarHBondContact O-CG 3.33Å; V565-L569 PolarHBondContact O-N 3.2Å; L569-K571 VanDerWaalsContact C-N 3.33Å; L569-K571 PolarHBondContact O-N 3.24Å; L569-R572 PolarHBondContact O-N 3.21Å; L569-R572 VanDerWaalsContact O-N 3.11Å; L569-W573 WeakPolarHBondContact O-CB 2.99Å; L569-W573 PolarHBondContact O-N 3.15Å; L569-L629 HydrophobicContact CD2-CD1 4.47Å
570	G	64.5	Low	65.7	Low	4.5 Å²	4.5	47.3 Å²	47.3	5%	0.046	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-39.4	-178.5	0	0	0	0	0	113.7	K566 V567 L568 R572 W573 K574	K566-G570 WeakPolarHBondContact O-CA 3.23Å; K566-G570 PolarHBondContact O-N 2.9Å; V567-G570 VanDerWaalsContact O-CA 3.27Å; V567-G570 WeakPolarHBondContact O-CA 3.44Å; V567-G570 PolarHBondContact O-N 3.08Å; L568-G570 PolarHBondContact O-N 3.21Å; G570-R572 PolarHBondContact O-N 3.11Å; G570-W573 PolarHBondContact O-N 2.91Å; G570-K574 WeakPolarHBondContact O-CA 3.21Å; G570-K574 WeakPolarHBondContact O-CB 3.36Å; G570-K574 PolarHBondContact O-N 3.27Å
571	K	66.6	Low	65.4	Low	101.5 Å²	101.5	49.6 Å²	49.6	44%	0.441	26%	0.255	S	S	.	.	H	α-helix	trans	-59.5	-39	174.5	-70.3	177.4	-177.7	173.9	0	111.8	E405 V466 V567 L568 L569 K574 A575	E405-K571 IonicContact OE1-NZ 2.72Å; E405-K571 PolarHBondContact OE1-NZ 3.24Å; V466-K571 HydrophobicContact CG1-CB 4.14Å; V466-K571 HydrophobicContact CG2-CB 3.98Å; V567-K571 HydrophobicContact CG1-CD 4.15Å; V567-K571 WeakPolarHBondContact O-CG 3.45Å; V567-K571 PolarHBondContact O-N 3.01Å; L568-K571 PolarHBondContact O-N 2.82Å; L569-K571 VanDerWaalsContact C-N 3.33Å; L569-K571 PolarHBondContact O-N 3.24Å; K571-K574 PolarHBondContact O-N 3.21Å; K571-A575 PolarHBondContact O-N 2.95Å
572	R	65	Low	64.8	Low	92 Å²	92	56.9 Å²	56.9	35%	0.347	29%	0.29	S	S	.	.	H	α-helix	trans	-74.3	-40.8	177.2	-171.7	119.1	-177.7	165.7	4.5	112.2	V466 G470 L568 L569 G570 A575 I576 L629 E632	V466-R572 HydrophobicContact CG1-CB 4.12Å; G470-R572 VanDerWaalsContact CA-NH1 3.28Å; L568-R572 WeakPolarHBondContact O-CB 3.21Å; L568-R572 PolarHBondContact O-N 3.11Å; L569-R572 PolarHBondContact O-N 3.21Å; L569-R572 VanDerWaalsContact O-N 3.11Å; G570-R572 PolarHBondContact O-N 3.11Å; R572-A575 PolarHBondContact O-N 2.59Å; R572-I576 HydrophobicContact CG-CD1 4.3Å; R572-I576 WeakPolarHBondContact O-CD1 3.46Å; R572-I576 VanDerWaalsContact O-CG1 3.25Å; R572-I576 WeakPolarHBondContact O-CG1 3.35Å; R572-I576 PolarHBondContact O-N 3.04Å; R572-I576 VanDerWaalsContact O-N 3.09Å; R572-L629 HydrophobicContact CG-CD1 3.81Å; R572-E632 IonicContact CZ-OE1 2.74Å; R572-E632 IonicContact CZ-OE2 2.74Å; R572-E632 IonicContact NE-OE1 3.3Å; R572-E632 PolarHBondContact NE-OE1 3.17Å; R572-E632 IonicContact NE-OE2 2.69Å; R572-E632 PolarHBondContact NE-OE2 2.72Å; R572-E632 VanDerWaalsContact NH2-CD 3.29Å; R572-E632 IonicContact NH2-OE1 3.88Å; R572-E632 PolarHBondContact NH2-OE1 3.39Å; R572-E632 IonicContact NH2-OE2 3.17Å; R572-E632 PolarHBondContact NH2-OE2 3.11Å
573	W	65.2	Low	63.5	Low	62.5 Å²	62.5	61.4 Å²	61.4	24%	0.237	32%	0.315	C	S	.	.	H	α-helix	trans	-65.2	-39.6	174.8	-135.1	79.7	0	0	0	112.7	P413 L414 F417 L569 G570 A575 I576 L577 W622 L629	P413-W573 HydrophobicContact CB-CH2 4.06Å; P413-W573 HydrophobicContact CB-CZ3 4.21Å; P413-W573 HydrophobicContact CG-CH2 4.22Å; P413-W573 HydrophobicContact CG-CZ3 3.97Å; L414-W573 HydrophobicContact CD1-CD2 3.78Å; L414-W573 HydrophobicContact CD1-CE3 4.48Å; L414-W573 HydrophobicContact CD1-CG 4.05Å; L414-W573 HydrophobicContact CD1-CH2 4.48Å; L414-W573 HydrophobicContact CD1-CZ2 3.79Å; L414-W573 HydrophobicContact CD2-CZ2 4.29Å; L414-W573 HydrophobicContact CG-CD2 4.31Å; L414-W573 HydrophobicContact CG-CH2 4.08Å; L414-W573 HydrophobicContact CG-CZ2 3.76Å; L414-W573 HydrophobicContact CG-CZ3 4.48Å; F417-W573 HydrophobicContact CD2-CB 4.28Å; F417-W573 HydrophobicContact CE2-CB 3.64Å; F417-W573 HydrophobicContact CE2-CD2 4.49Å; F417-W573 AromaticContact CE2-CG 3.87Å; F417-W573 HydrophobicContact CE2-CG 3.87Å; F417-W573 HydrophobicContact CZ-CB 4.45Å; L569-W573 WeakPolarHBondContact O-CB 2.99Å; L569-W573 PolarHBondContact O-N 3.15Å; G570-W573 PolarHBondContact O-N 2.91Å; W573-A575 PolarHBondContact O-N 2.8Å; W573-I576 PolarHBondContact O-N 3.05Å; W573-L577 HydrophobicContact CH2-CD2 3.66Å; W573-L577 HydrophobicContact CZ2-CD2 4.01Å; W573-L577 HydrophobicContact CZ3-CD2 4.12Å; W573-L577 WeakPolarHBondContact O-CB 3.32Å; W573-L577 VanDerWaalsContact O-CG 3.25Å; W573-L577 WeakPolarHBondContact O-CG 3.11Å; W573-L577 PolarHBondContact O-N 3.41Å; W573-W622 AromaticContact CH2-CD1 3.96Å; W573-W622 HydrophobicContact CH2-CD2 4.28Å; W573-W622 AromaticContact CH2-CE2 3.98Å; W573-W622 HydrophobicContact CH2-CG 4.22Å; W573-W622 AromaticContact CH2-NE1 3.81Å; W573-W622 HydrophobicContact CZ2-CB 4.19Å; W573-W622 AromaticContact CZ2-CD1 3.81Å; W573-W622 HydrophobicContact CZ2-CD2 4.25Å; W573-W622 AromaticContact CZ2-CG 3.83Å; W573-W622 HydrophobicContact CZ2-CG 3.83Å; W573-L629 HydrophobicContact CB-CD2 3.79Å
574	K	64.4	Low	62	Low	71 Å²	71	66.5 Å²	66.5	31%	0.309	34%	0.339	S	S	.	.	H	α-helix	trans	-64.1	-46.1	176	-178	108.4	174.6	165.7	0	110.9	S388 G389 G570 K571 I576 L577 D578	S388-K574 PolarHBondContact O-NZ 3.47Å; G389-K574 WeakPolarHBondContact O-CE 3.33Å; G389-K574 PolarHBondContact O-NZ 2.76Å; G570-K574 WeakPolarHBondContact O-CA 3.21Å; G570-K574 WeakPolarHBondContact O-CB 3.36Å; G570-K574 PolarHBondContact O-N 3.27Å; K571-K574 PolarHBondContact O-N 3.21Å; K574-I576 VanDerWaalsContact C-N 3.34Å; K574-I576 PolarHBondContact O-N 3.31Å; K574-L577 HydrophobicContact CD-CD2 4.47Å; K574-L577 WeakPolarHBondContact O-CB 3.42Å; K574-L577 PolarHBondContact O-N 3.08Å; K574-L577 VanDerWaalsContact O-N 3.12Å; K574-D578 WeakPolarHBondContact CD-OD2 3.49Å; K574-D578 WeakPolarHBondContact CE-OD1 3.44Å; K574-D578 WeakPolarHBondContact CE-OD2 3.48Å; K574-D578 WeakPolarHBondContact CG-OD2 3.31Å; K574-D578 VanDerWaalsContact NZ-CG 3.34Å; K574-D578 IonicContact NZ-OD1 3.98Å; K574-D578 PolarHBondContact NZ-OD1 3.16Å; K574-D578 IonicContact NZ-OD2 2.74Å; K574-D578 PolarHBondContact NZ-OD2 2.79Å; K574-D578 VanDerWaalsContact O-CB 3.29Å; K574-D578 WeakPolarHBondContact O-CB 3.24Å; K574-D578 PolarHBondContact O-N 3.05Å
575	A	65.4	Low	60.5	Low	53.5 Å²	53.5	71.1 Å²	71.1	44%	0.442	37%	0.371	S	S	.	.	H	α-helix	trans	-57.8	-38.9	172.5	0	0	0	0	0	113.1	K571 R572 W573 S579	K571-A575 PolarHBondContact O-N 2.95Å; R572-A575 PolarHBondContact O-N 2.59Å; W573-A575 PolarHBondContact O-N 2.8Å; A575-S579 WeakPolarHBondContact O-CB 3.43Å; A575-S579 PolarHBondContact O-N 3.08Å; A575-S579 VanDerWaalsContact O-N 3.12Å
576	I	63.3	Low	59.2	Low	49.5 Å²	49.5	76.1 Å²	76.1	25%	0.254	40%	0.401	S	S	.	.	H	α-helix	trans	-69.4	-40.6	174.9	-68.1	164.7	0	0	0	111.6	R572 W573 K574 S579 L580 A625 L628 L629	R572-I576 HydrophobicContact CG-CD1 4.3Å; R572-I576 WeakPolarHBondContact O-CD1 3.46Å; R572-I576 VanDerWaalsContact O-CG1 3.25Å; R572-I576 WeakPolarHBondContact O-CG1 3.35Å; R572-I576 PolarHBondContact O-N 3.04Å; R572-I576 VanDerWaalsContact O-N 3.09Å; W573-I576 PolarHBondContact O-N 3.05Å; K574-I576 VanDerWaalsContact C-N 3.34Å; K574-I576 PolarHBondContact O-N 3.31Å; I576-S579 CarbonylContact O-C 3.57Å; I576-S579 PolarHBondContact O-N 2.86Å; I576-L580 HydrophobicContact CG2-CD1 3.89Å; I576-L580 WeakPolarHBondContact O-CB 3.44Å; I576-L580 WeakPolarHBondContact O-CD1 3.31Å; I576-L580 WeakPolarHBondContact O-CG 3.35Å; I576-L580 PolarHBondContact O-N 3.16Å; I576-L580 VanDerWaalsContact O-N 3.09Å; I576-A625 HydrophobicContact CG2-CB 3.98Å; I576-L628 HydrophobicContact CG2-CB 3.98Å; I576-L628 HydrophobicContact CG2-CD1 4Å; I576-L629 HydrophobicContact CD1-CB 3.92Å; I576-L629 HydrophobicContact CD1-CD1 4.19Å
577	L	61.1	Low	57.5	Low	46 Å²	46	84.1 Å²	84.1	24%	0.241	43%	0.429	C	S	.	.	H	α-helix	trans	-67.4	-44.1	177.8	-129.2	114.4	0	0	0	111.6	W573 K574 S579 L580 V581 Y618 K621 A625	W573-L577 HydrophobicContact CH2-CD2 3.66Å; W573-L577 HydrophobicContact CZ2-CD2 4.01Å; W573-L577 HydrophobicContact CZ3-CD2 4.12Å; W573-L577 WeakPolarHBondContact O-CB 3.32Å; W573-L577 VanDerWaalsContact O-CG 3.25Å; W573-L577 WeakPolarHBondContact O-CG 3.11Å; W573-L577 PolarHBondContact O-N 3.41Å; K574-L577 HydrophobicContact CD-CD2 4.47Å; K574-L577 WeakPolarHBondContact O-CB 3.42Å; K574-L577 PolarHBondContact O-N 3.08Å; K574-L577 VanDerWaalsContact O-N 3.12Å; L577-S579 VanDerWaalsContact C-N 3.28Å; L577-S579 PolarHBondContact O-N 3.21Å; L577-L580 CarbonylContact O-C 3.5Å; L577-L580 WeakPolarHBondContact O-CA 3.45Å; L577-L580 WeakPolarHBondContact O-CB 3.16Å; L577-L580 PolarHBondContact O-N 3.16Å; L577-L580 VanDerWaalsContact O-N 3.13Å; L577-V581 WeakPolarHBondContact O-CB 3.37Å; L577-V581 VanDerWaalsContact O-CG2 3.31Å; L577-V581 WeakPolarHBondContact O-CG2 3.38Å; L577-V581 PolarHBondContact O-N 3.04Å; L577-Y618 HydrophobicContact CD1-CD1 4.33Å; L577-K621 HydrophobicContact CD1-CB 3.79Å; L577-A625 HydrophobicContact CB-CB 4.11Å; L577-A625 HydrophobicContact CD1-CB 4.45Å
578	D	66	Low	56.2	Low	61.5 Å²	61.5	92.7 Å²	92.7	33%	0.329	47%	0.465	S	S	.	.	H	α-helix	trans	-64.8	-38.3	177.3	-66	-27.8	0	0	0	110.9	K574 L580 V581 Q582	K574-D578 WeakPolarHBondContact CD-OD2 3.49Å; K574-D578 WeakPolarHBondContact CE-OD1 3.44Å; K574-D578 WeakPolarHBondContact CE-OD2 3.48Å; K574-D578 WeakPolarHBondContact CG-OD2 3.31Å; K574-D578 VanDerWaalsContact NZ-CG 3.34Å; K574-D578 IonicContact NZ-OD1 3.98Å; K574-D578 PolarHBondContact NZ-OD1 3.16Å; K574-D578 IonicContact NZ-OD2 2.74Å; K574-D578 PolarHBondContact NZ-OD2 2.79Å; K574-D578 VanDerWaalsContact O-CB 3.29Å; K574-D578 WeakPolarHBondContact O-CB 3.24Å; K574-D578 PolarHBondContact O-N 3.05Å; D578-L580 PolarHBondContact O-N 2.89Å; D578-V581 WeakPolarHBondContact O-CA 3.28Å; D578-V581 WeakPolarHBondContact O-CB 3.24Å; D578-V581 PolarHBondContact O-N 2.7Å; D578-Q582 VanDerWaalsContact O-CB 3.24Å; D578-Q582 WeakPolarHBondContact O-CB 3.31Å; D578-Q582 VanDerWaalsContact O-CG 3.28Å; D578-Q582 WeakPolarHBondContact O-CG 3.45Å; D578-Q582 PolarHBondContact O-N 3.33Å
579	S	67.3	Low	54.6	Low	80.5 Å²	80.5	99.6 Å²	99.6	56%	0.563	49%	0.494	S	S	*	.	H	α-helix	trans	-63.6	-26.7	169.1	176.2	0	0	0	0	113.5	A575 I576 L577 V581 Q582 D583	A575-S579 WeakPolarHBondContact O-CB 3.43Å; A575-S579 PolarHBondContact O-N 3.08Å; A575-S579 VanDerWaalsContact O-N 3.12Å; I576-S579 CarbonylContact O-C 3.57Å; I576-S579 PolarHBondContact O-N 2.86Å; L577-S579 VanDerWaalsContact C-N 3.28Å; L577-S579 PolarHBondContact O-N 3.21Å; S579-V581 PolarHBondContact O-N 2.75Å; S579-Q582 PolarHBondContact O-N 2.9Å; S579-D583 PolarHBondContact O-N 2.67Å
580	L	59.2	Low	52.9	Low	75 Å²	75	107.2 Å²	107.2	39%	0.393	53%	0.529	S	S	.	.	H	α-helix	trans	-88.5	-12	174.4	-71.2	171.9	0	0	0	113.3	I576 L577 D578 K621 R624 A625 L628	I576-L580 HydrophobicContact CG2-CD1 3.89Å; I576-L580 WeakPolarHBondContact O-CB 3.44Å; I576-L580 WeakPolarHBondContact O-CD1 3.31Å; I576-L580 WeakPolarHBondContact O-CG 3.35Å; I576-L580 PolarHBondContact O-N 3.16Å; I576-L580 VanDerWaalsContact O-N 3.09Å; L577-L580 CarbonylContact O-C 3.5Å; L577-L580 WeakPolarHBondContact O-CA 3.45Å; L577-L580 WeakPolarHBondContact O-CB 3.16Å; L577-L580 PolarHBondContact O-N 3.16Å; L577-L580 VanDerWaalsContact O-N 3.13Å; D578-L580 PolarHBondContact O-N 2.89Å; L580-K621 WeakPolarHBondContact O-CD 3.49Å; L580-K621 VanDerWaalsContact O-CE 3.25Å; L580-K621 WeakPolarHBondContact O-CE 3.39Å; L580-K621 PolarHBondContact O-NZ 2.68Å; L580-R624 HydrophobicContact CD1-CB 4Å; L580-R624 HydrophobicContact CD1-CG 3.78Å; L580-R624 HydrophobicContact CD2-CG 4.41Å; L580-A625 HydrophobicContact CD1-CB 4.01Å; L580-L628 HydrophobicContact CD1-CD1 4.09Å; L580-L628 HydrophobicContact CD2-CD1 4.22Å; L580-L628 HydrophobicContact CG-CD1 4.44Å
581	V	60.7	Low	51.4	Low	82 Å²	82	113.9 Å²	113.9	50%	0.497	56%	0.559	S	S	.	*	H	α-helix	trans	-95.5	-34.5	175.7	171.1	0	0	0	0	111.2	L577 D578 S579 D583 Y618 K621	L577-V581 WeakPolarHBondContact O-CB 3.37Å; L577-V581 VanDerWaalsContact O-CG2 3.31Å; L577-V581 WeakPolarHBondContact O-CG2 3.38Å; L577-V581 PolarHBondContact O-N 3.04Å; D578-V581 WeakPolarHBondContact O-CA 3.28Å; D578-V581 WeakPolarHBondContact O-CB 3.24Å; D578-V581 PolarHBondContact O-N 2.7Å; S579-V581 PolarHBondContact O-N 2.75Å; V581-D583 PolarHBondContact O-N 3.05Å; V581-D583 VanDerWaalsContact O-N 3.13Å; V581-Y618 WeakPolarHBondContact CG1-OH 3.49Å; V581-Y618 HydrophobicContact CG2-CD1 4.43Å; V581-Y618 HydrophobicContact CG2-CE1 3.41Å; V581-Y618 VanDerWaalsContact CG2-CE1 3.41Å; V581-Y618 WeakPolarHBondContact CG2-OH 3.4Å; V581-K621 HydrophobicContact CG2-CD 4.24Å
582	Q	54.8	Low	49.8	Very low	155 Å²	155	111.8 Å²	111.8	72%	0.724	57%	0.567	S	S	*	*	H	α-helix	trans	-78.3	25.3	178.8	-67.7	178	10.7	0	0	113.1	D578 S579 Q584	D578-Q582 VanDerWaalsContact O-CB 3.24Å; D578-Q582 WeakPolarHBondContact O-CB 3.31Å; D578-Q582 VanDerWaalsContact O-CG 3.28Å; D578-Q582 WeakPolarHBondContact O-CG 3.45Å; D578-Q582 PolarHBondContact O-N 3.33Å; S579-Q582 PolarHBondContact O-N 2.9Å; Q582-Q584 PolarHBondContact O-N 3.26Å
583	D	41.6	Very low	48.2	Very low	137 Å²	137	111.4 Å²	111.4	73%	0.733	58%	0.583	S	S	*	*			trans	-98.7	104	163	-118.6	-15.1	0	0	0	110	S579 V581	S579-D583 PolarHBondContact O-N 2.67Å; V581-D583 PolarHBondContact O-N 3.05Å; V581-D583 VanDerWaalsContact O-N 3.13Å
584	Q	35.9	Very low	46.8	Very low	154.5 Å²	154.5	112.8 Å²	112.8	72%	0.722	60%	0.602	S	S	*	*			trans	-135	119.9	166.2	-84.7	-118.8	11	0	0	112.6	Q582 V586	Q582-Q584 PolarHBondContact O-N 3.26Å; Q584-V586 VanDerWaalsContact C-N 3.26Å; Q584-V586 HydrophobicContact CB-CG2 4.14Å; Q584-V586 PolarHBondContact O-N 3.26Å
585	P	35.4	Very low	45.4	Very low	118 Å²	118	114.9 Å²	114.9	77%	0.766	62%	0.621	S	S	*	*			trans	-94.5	90.6	155.1	32.6	-32.2	0	0	0	110.8	R587	P585-R587 PolarHBondContact O-N 3.27Å; P585-R587 VanDerWaalsContact O-N 3.08Å
586	V	39.9	Very low	44.1	Very low	114.5 Å²	114.5	117.9 Å²	117.9	69%	0.694	63%	0.634	S	S	*	*			trans	-66.6	104.9	178.7	-178.5	0	0	0	0	110.1	Q584 K588	Q584-V586 VanDerWaalsContact C-N 3.26Å; Q584-V586 HydrophobicContact CB-CG2 4.14Å; Q584-V586 PolarHBondContact O-N 3.26Å; V586-K588 PolarHBondContact O-N 2.87Å
587	R	32.2	Very low	42.9	Very low	239 Å²	239	122.1 Å²	122.1	90%	0.902	66%	0.657	S	S	*	*			trans	-65.4	105.5	170	-67.4	178.7	178.9	161.5	-0.2	110	P585 K589	P585-R587 PolarHBondContact O-N 3.27Å; P585-R587 VanDerWaalsContact O-N 3.08Å; R587-K589 PolarHBondContact O-N 3.3Å
588	K	38.2	Very low	41.8	Very low	200 Å²	200	127.9 Å²	127.9	87%	0.87	68%	0.683	S	S	*	*			trans	-93.2	138	159.7	-73.7	-171.3	177	178.8	0	109.1	V586 Q590	V586-K588 PolarHBondContact O-N 2.87Å; K588-Q590 PolarHBondContact O-N 3.4Å
589	K	32.9	Very low	40.5	Very low	168 Å²	168	131.8 Å²	131.8	73%	0.73	70%	0.703	S	S	*	*			trans	-91.7	131.3	-172	-139.3	-170.8	170.3	-172.3	0	109.9	R587 E591	R587-K589 PolarHBondContact O-N 3.3Å; K589-E591 IonicContact NZ-OE1 2.67Å; K589-E591 PolarHBondContact O-N 2.95Å; K589-E591 VanDerWaalsContact O-N 3.13Å
590	Q	32.4	Very low	39.1	Very low	186 Å²	186	135.2 Å²	135.2	87%	0.869	72%	0.715	S	S	*	*			trans	-124.8	126.4	162.4	-91.3	166.3	-29.1	0	0	111.2	K588	K588-Q590 PolarHBondContact O-N 3.4Å
591	E	32	Very low	38.1	Very low	144.5 Å²	144.5	140.6 Å²	140.6	68%	0.675	74%	0.738	S	S	*	*			trans	-106	158.9	177.6	-64	138.3	178.1	0	0	111.5	K589	K589-E591 IonicContact NZ-OE1 2.67Å; K589-E591 PolarHBondContact O-N 2.95Å; K589-E591 VanDerWaalsContact O-N 3.13Å
592	G	32.8	Very low	37	Very low	58.5 Å²	58.5	141.3 Å²	141.3	60%	0.603	75%	0.747	S	S	*	*			trans	-143.6	-169.2	-161.3	0	0	0	0	0	117.1	S729 T730	G592-S729 VanDerWaalsContact CA-OG 3.23Å; G592-S729 WeakPolarHBondContact CA-OG 3.33Å; G592-T730 VanDerWaalsContact O-CG2 3.27Å; G592-T730 WeakPolarHBondContact O-CG2 3.39Å
593	A	32.5	Very low	36	Very low	83 Å²	83	141.1 Å²	141.1	69%	0.686	75%	0.751	S	S	*	*			trans	135.7	123.8	166.6	0	0	0	0	0	115.5	S728 S729 T730	A593-S728 CarbonylContact C-O 3.59Å; A593-S728 CarbonylContact O-C 3.58Å; A593-S729 PolarHBondContact N-OG 2.88Å; A593-S729 CarbonylContact O-C 3.52Å; A593-S729 WeakPolarHBondContact O-CA 3.26Å; A593-S729 PolarHBondContact O-N 3.13Å; A593-S729 PolarHBondContact O-OG 3.23Å; A593-S729 VanDerWaalsContact O-OG 3.13Å; A593-T730 WeakPolarHBondContact CA-OG1 3.47Å; A593-T730 PolarHBondContact O-N 2.96Å; A593-T730 PolarHBondContact O-OG1 3.11Å
594	S	35.5	Very low	35.8	Very low	92 Å²	92	140.6 Å²	140.6	64%	0.643	75%	0.753	S	S	*	*			trans	-120	171.3	158.6	59.4	0	0	0	0	113.8	S728 T730	S594-S728 PolarHBondContact O-N 2.93Å; S594-T730 WeakPolarHBondContact CA-OG1 3.3Å; S594-T730 PolarHBondContact N-OG1 2.84Å
595	T	35	Very low	35.7	Very low	114.5 Å²	114.5	139.6 Å²	139.6	70%	0.702	75%	0.752	S	S	*	*				-101.9	161.4	93.9	16.1	0	0	0	0	111.9
596	V	38	Very low	35.6	Very low	117 Å²	117	138.7 Å²	138.7	71%	0.709	76%	0.755	S	S	*	*				59.8	123.8	98.1	-156.6	0	0	0	0	114.6
597	D	37.6	Very low	35.3	Very low	137.5 Å²	137.5	142.9 Å²	142.9	74%	0.735	76%	0.76	S	S	*	*				-150.1	152	80.7	-73.7	-46.1	0	0	0	110.5
598	E	39	Very low	35.5	Very low	168.5 Å²	168.5	138.7 Å²	138.7	79%	0.787	76%	0.755	S	S	*	*			trans	170.4	160.6	143.2	-67.6	-179.6	153.4	0	0	113.4
599	D	37.4	Very low	35.7	Very low	143 Å²	143	133.4 Å²	133.4	77%	0.765	74%	0.74	S	S	*	*				127.9	137.7	75.3	-85.7	-10.7	0	0	0	115.6
600	D	39.1	Very low	36.3	Very low	151.5 Å²	151.5	128.3 Å²	128.3	81%	0.81	73%	0.725	S	S	*	*			trans	149.2	110.6	155.9	-93.6	-22.5	0	0	0	115.2	S602	D600-S602 PolarHBondContact O-N 3.42Å
601	E	37.6	Very low	36.8	Very low	188 Å²	188	122.5 Å²	122.5	88%	0.879	71%	0.705	S	S	*	*			trans	-114.2	120.2	-147.9	-161.1	-179.3	-150.2	0	0	110.4	D603	E601-D603 PolarHBondContact O-N 2.91Å
602	S	36.4	Very low	37.4	Very low	96.3333 Å²	96.3333	123.1 Å²	123.1	67%	0.674	71%	0.706	S	S	*	*			trans	-133.2	114.3	167.6	59.4	0	0	0	0	115.3	D600 T604	D600-S602 PolarHBondContact O-N 3.42Å; S602-T604 VanDerWaalsContact C-N 3.25Å; S602-T604 PolarHBondContact O-N 3.26Å
603	D	34	Very low	38.3	Very low	151.667 Å²	151.667	123.6 Å²	123.6	81%	0.811	70%	0.697	S	S	*	*			trans	-32.8	120.8	153.1	-79.9	-37.2	0	0	0	114.4	E601 D605	E601-D603 PolarHBondContact O-N 2.91Å; D603-D605 VanDerWaalsContact C-N 3.26Å; D603-D605 PolarHBondContact O-N 3.23Å
604	T	38.5	Very low	39.1	Very low	127 Å²	127	123.2 Å²	123.2	78%	0.779	68%	0.683	S	S	*	*			trans	-140.5	108.3	135.6	26.9	0	0	0	0	111.4	S602	S602-T604 VanDerWaalsContact C-N 3.25Å; S602-T604 PolarHBondContact O-N 3.26Å
605	D	33	Very low	39.7	Very low	132.667 Å²	132.667	122.1 Å²	122.1	71%	0.709	67%	0.669	S	S	*	*			trans	21.1	138.2	154.6	-71	-40.5	0	0	0	119.2	D603 Y607	D603-D605 VanDerWaalsContact C-N 3.26Å; D603-D605 PolarHBondContact O-N 3.23Å; D605-Y607 HydrophobicContact CB-CD2 3.41Å; D605-Y607 VanDerWaalsContact CB-CD2 3.41Å; D605-Y607 HydrophobicContact CB-CE2 3.52Å; D605-Y607 HydrophobicContact CB-CG 4.27Å; D605-Y607 PolarHBondContact O-N 3.18Å
606	A	34.3	Very low	40.5	Very low	99.6667 Å²	99.6667	118.7 Å²	118.7	82%	0.824	66%	0.657	S	S	*	*			trans	-34.9	98.6	161.6	0	0	0	0	0	115.1
607	Y	33.4	Very low	41.3	Very low	203.333 Å²	203.333	119.6 Å²	119.6	80%	0.797	65%	0.651	S	S	*	*			trans	-50.1	135.7	155.1	-93.7	-85.3	0	0	0	115.4	D605 T609	D605-Y607 HydrophobicContact CB-CD2 3.41Å; D605-Y607 VanDerWaalsContact CB-CD2 3.41Å; D605-Y607 HydrophobicContact CB-CE2 3.52Å; D605-Y607 HydrophobicContact CB-CG 4.27Å; D605-Y607 PolarHBondContact O-N 3.18Å; Y607-T609 PolarHBondContact O-N 3.17Å
608	D	35.4	Very low	42.3	Very low	150.667 Å²	150.667	117.6 Å²	117.6	81%	0.806	63%	0.634	S	S	*	*			trans	-11.1	91.3	169.9	-73.6	-45.8	0	0	0	115.1	S610	D608-S610 VanDerWaalsContact C-N 3.26Å; D608-S610 PolarHBondContact O-N 3.36Å
609	T	43.5	Very low	43.3	Very low	88.6667 Å²	88.6667	115.1 Å²	115.1	54%	0.544	62%	0.62	S	S	.	*			trans	-70.9	87.4	160.1	-61.6	0	0	0	0	108.2	Y607 S611 T613 I614	Y607-T609 PolarHBondContact O-N 3.17Å; T609-S611 PolarHBondContact O-N 3.16Å; T609-T613 HydrophobicContact CG2-CG2 3.95Å; T609-I614 HydrophobicContact CG2-CD1 4.37Å; T609-I614 HydrophobicContact CG2-CG1 3.8Å; T609-I614 VanDerWaalsContact O-CD1 3.26Å; T609-I614 WeakPolarHBondContact O-CD1 3.22Å; T609-I614 WeakPolarHBondContact O-CG1 3.28Å
610	S	45.7	Very low	44.5	Very low	59.6667 Å²	59.6667	112 Å²	112	42%	0.417	61%	0.61	S	S	.	*			trans	-43.8	142.6	-179.4	146.3	0	0	0	0	112.4	D608 F612 T613 I614	D608-S610 VanDerWaalsContact C-N 3.26Å; D608-S610 PolarHBondContact O-N 3.36Å; S610-F612 PolarHBondContact O-N 2.88Å; S610-T613 WeakPolarHBondContact O-CA 3.35Å; S610-T613 WeakPolarHBondContact O-CB 3.4Å; S610-T613 PolarHBondContact O-N 3.05Å; S610-I614 PolarHBondContact O-N 3.12Å
611	S	42.7	Very low	45.7	Very low	65 Å²	65	109.1 Å²	109.1	46%	0.455	59%	0.59	S	S	.	*	H	α-helix	trans	-57.1	-24.8	-176	-22.7	0	0	0	0	113.2	L380 T609 T613 I614 I615	L380-S611 VanDerWaalsContact CD2-OG 3.23Å; L380-S611 WeakPolarHBondContact CD2-OG 3.36Å; L380-S611 WeakPolarHBondContact CG-OG 3.38Å; T609-S611 PolarHBondContact O-N 3.16Å; S611-T613 VanDerWaalsContact C-N 3.32Å; S611-T613 PolarHBondContact O-N 3.42Å; S611-I614 PolarHBondContact O-N 3.02Å; S611-I615 WeakPolarHBondContact O-CB 3.46Å; S611-I615 WeakPolarHBondContact O-CD1 3.25Å; S611-I615 VanDerWaalsContact O-CG1 3.25Å; S611-I615 WeakPolarHBondContact O-CG1 3.36Å; S611-I615 PolarHBondContact O-N 3.1Å
612	F	44.5	Very low	47	Very low	157 Å²	157	103.9 Å²	103.9	69%	0.689	56%	0.562	S	S	*	*	H	α-helix	trans	-65.1	-36.9	171.1	-70.6	-77.8	0	0	0	113.4	L380 S610 I614 I615 G616	L380-F612 HydrophobicContact CD1-CD1 3.83Å; L380-F612 HydrophobicContact CD1-CD2 4.13Å; L380-F612 HydrophobicContact CD1-CE1 3.69Å; L380-F612 HydrophobicContact CD1-CE2 4Å; L380-F612 HydrophobicContact CD1-CG 4.04Å; L380-F612 HydrophobicContact CD1-CZ 3.78Å; L380-F612 HydrophobicContact CD2-CD2 3.47Å; L380-F612 VanDerWaalsContact CD2-CD2 3.47Å; L380-F612 HydrophobicContact CD2-CE2 3.52Å; L380-F612 HydrophobicContact CD2-CG 4.06Å; L380-F612 HydrophobicContact CD2-CZ 4.14Å; L380-F612 HydrophobicContact CG-CD2 4.44Å; L380-F612 HydrophobicContact CG-CE2 4.45Å; S610-F612 PolarHBondContact O-N 2.88Å; F612-I614 VanDerWaalsContact C-N 3.3Å; F612-I614 PolarHBondContact O-N 3.49Å; F612-I615 HydrophobicContact CD1-CD1 4.34Å; F612-I615 PolarHBondContact O-N 3.25Å; F612-G616 PolarHBondContact O-N 3.12Å
613	T	51.8	Low	48.4	Very low	69 Å²	69	103.1 Å²	103.1	42%	0.423	55%	0.551	S	S	.	*	H	α-helix	trans	-67.8	-35.6	175.1	-52.7	0	0	0	0	111.4	T609 S610 S611 G616 K617	T609-T613 HydrophobicContact CG2-CG2 3.95Å; S610-T613 WeakPolarHBondContact O-CA 3.35Å; S610-T613 WeakPolarHBondContact O-CB 3.4Å; S610-T613 PolarHBondContact O-N 3.05Å; S611-T613 VanDerWaalsContact C-N 3.32Å; S611-T613 PolarHBondContact O-N 3.42Å; T613-G616 PolarHBondContact O-N 2.86Å; T613-K617 HydrophobicContact CG2-CD 4.07Å; T613-K617 HydrophobicContact CG2-CG 4.49Å; T613-K617 VanDerWaalsContact O-CB 3.29Å; T613-K617 WeakPolarHBondContact O-CB 3.49Å; T613-K617 WeakPolarHBondContact O-CD 3.39Å; T613-K617 WeakPolarHBondContact O-CG 3.35Å; T613-K617 PolarHBondContact O-N 3.2Å; T613-K617 VanDerWaalsContact O-N 3.15Å
614	I	49.6	Very low	50.2	Low	74.6667 Å²	74.6667	103.7 Å²	103.7	38%	0.383	54%	0.541	S	S	.	.	H	α-helix	trans	-63.9	-53.7	171.7	-59.5	179.8	0	0	0	109.6	A384 T609 S610 S611 F612 G616 K617 Y618	A384-I614 HydrophobicContact CB-CB 4.14Å; A384-I614 HydrophobicContact CB-CG2 3.92Å; T609-I614 HydrophobicContact CG2-CD1 4.37Å; T609-I614 HydrophobicContact CG2-CG1 3.8Å; T609-I614 VanDerWaalsContact O-CD1 3.26Å; T609-I614 WeakPolarHBondContact O-CD1 3.22Å; T609-I614 WeakPolarHBondContact O-CG1 3.28Å; S610-I614 PolarHBondContact O-N 3.12Å; S611-I614 PolarHBondContact O-N 3.02Å; F612-I614 VanDerWaalsContact C-N 3.3Å; F612-I614 PolarHBondContact O-N 3.49Å; I614-G616 VanDerWaalsContact C-N 3.29Å; I614-G616 PolarHBondContact O-N 2.98Å; I614-K617 PolarHBondContact O-N 3.27Å; I614-Y618 HydrophobicContact CG2-CD2 3.82Å; I614-Y618 HydrophobicContact CG2-CE2 3.85Å; I614-Y618 VanDerWaalsContact O-CD2 3.31Å; I614-Y618 WeakPolarHBondContact O-CD2 3.34Å; I614-Y618 PolarHBondContact O-N 3.26Å
615	I	47.4	Very low	51.7	Low	69 Å²	69	98.6 Å²	98.6	35%	0.354	51%	0.512	S	S	.	.	H	α-helix	trans	-53.1	-44.2	176.9	-70.9	164	0	0	0	111.2	L380 A383 A384 M387 S611 F612 K617 Y618 K619	L380-I615 HydrophobicContact CD1-CD1 3.59Å; L380-I615 HydrophobicContact CG-CD1 4.26Å; A383-I615 HydrophobicContact CB-CD1 3.84Å; A383-I615 HydrophobicContact CB-CG1 4.49Å; A384-I615 HydrophobicContact CB-CG1 4.22Å; M387-I615 HydrophobicContact CE-CG2 3.99Å; M387-I615 WeakPolarHBondContact CE-O 3.33Å; M387-I615 HydrophobicContact SD-CB 4.16Å; M387-I615 HydrophobicContact SD-CG1 3.91Å; M387-I615 HydrophobicContact SD-CG2 3.74Å; S611-I615 WeakPolarHBondContact O-CB 3.46Å; S611-I615 WeakPolarHBondContact O-CD1 3.25Å; S611-I615 VanDerWaalsContact O-CG1 3.25Å; S611-I615 WeakPolarHBondContact O-CG1 3.36Å; S611-I615 PolarHBondContact O-N 3.1Å; F612-I615 HydrophobicContact CD1-CD1 4.34Å; F612-I615 PolarHBondContact O-N 3.25Å; I615-K617 PolarHBondContact O-N 2.97Å; I615-Y618 CarbonylContact O-C 3.54Å; I615-Y618 PolarHBondContact O-N 3.02Å; I615-K619 WeakPolarHBondContact O-CB 3.14Å; I615-K619 PolarHBondContact O-N 2.96Å
616	G	50.4	Low	53.4	Low	42.6667 Å²	42.6667	96.3 Å²	96.3	44%	0.44	50%	0.496	S	S	.	.	H	α-helix	trans	-60.4	-46.6	175.7	0	0	0	0	0	113.6	F612 T613 I614 Y618 K619	F612-G616 PolarHBondContact O-N 3.12Å; T613-G616 PolarHBondContact O-N 2.86Å; I614-G616 VanDerWaalsContact C-N 3.29Å; I614-G616 PolarHBondContact O-N 2.98Å; G616-Y618 VanDerWaalsContact C-N 3.29Å; G616-Y618 PolarHBondContact O-N 3.03Å; G616-K619 WeakPolarHBondContact O-CB 3.21Å; G616-K619 PolarHBondContact O-N 3.03Å
617	K	55.5	Low	55.3	Low	137 Å²	137	98.7 Å²	98.7	60%	0.596	49%	0.488	S	S	*	.	H	α-helix	trans	-60.9	-38	176.1	-76.4	176.3	177.8	176	0	112.1	T613 I614 I615 S620 K621	T613-K617 HydrophobicContact CG2-CD 4.07Å; T613-K617 HydrophobicContact CG2-CG 4.49Å; T613-K617 VanDerWaalsContact O-CB 3.29Å; T613-K617 WeakPolarHBondContact O-CB 3.49Å; T613-K617 WeakPolarHBondContact O-CD 3.39Å; T613-K617 WeakPolarHBondContact O-CG 3.35Å; T613-K617 PolarHBondContact O-N 3.2Å; T613-K617 VanDerWaalsContact O-N 3.15Å; I614-K617 PolarHBondContact O-N 3.27Å; I615-K617 PolarHBondContact O-N 2.97Å; K617-S620 PolarHBondContact O-N 3.32Å; K617-S620 PolarHBondContact O-OG 3.05Å; K617-S620 VanDerWaalsContact O-OG 3.09Å; K617-K621 PolarHBondContact O-N 3.43Å
618	Y	58.2	Low	57.2	Low	93.6667 Å²	93.6667	93.1 Å²	93.1	37%	0.367	47%	0.471	S	S	.	.	H	α-helix	trans	-80.1	-29	178.4	-78.2	-83.8	0	0	0	113.9	M387 L577 V581 I614 I615 G616 S620 K621 W622	M387-Y618 WeakPolarHBondContact O-CB 3.35Å; M387-Y618 WeakPolarHBondContact O-CD1 3.32Å; L577-Y618 HydrophobicContact CD1-CD1 4.33Å; V581-Y618 WeakPolarHBondContact CG1-OH 3.49Å; V581-Y618 HydrophobicContact CG2-CD1 4.43Å; V581-Y618 HydrophobicContact CG2-CE1 3.41Å; V581-Y618 VanDerWaalsContact CG2-CE1 3.41Å; V581-Y618 WeakPolarHBondContact CG2-OH 3.4Å; I614-Y618 HydrophobicContact CG2-CD2 3.82Å; I614-Y618 HydrophobicContact CG2-CE2 3.85Å; I614-Y618 VanDerWaalsContact O-CD2 3.31Å; I614-Y618 WeakPolarHBondContact O-CD2 3.34Å; I614-Y618 PolarHBondContact O-N 3.26Å; I615-Y618 CarbonylContact O-C 3.54Å; I615-Y618 PolarHBondContact O-N 3.02Å; G616-Y618 VanDerWaalsContact C-N 3.29Å; G616-Y618 PolarHBondContact O-N 3.03Å; Y618-S620 PolarHBondContact O-N 2.97Å; Y618-S620 VanDerWaalsContact O-N 3.12Å; Y618-K621 HydrophobicContact CD1-CB 4.45Å; Y618-K621 HydrophobicContact CD1-CD 4.16Å; Y618-K621 HydrophobicContact CE1-CD 4.33Å; Y618-K621 CarbonylContact O-C 3.55Å; Y618-K621 WeakPolarHBondContact O-CA 3.32Å; Y618-K621 WeakPolarHBondContact O-CB 3.45Å; Y618-K621 PolarHBondContact O-N 3.09Å; Y618-K621 VanDerWaalsContact O-N 3.07Å; Y618-W622 PolarHBondContact O-N 2.98Å
619	K	59.8	Low	58.9	Low	117 Å²	117	87.2 Å²	87.2	51%	0.509	44%	0.44	S	S	.	.	H	α-helix	trans	-56.9	-33.9	178.8	-168.5	170.1	-176.3	172.2	0	112.8	D347 M387 I615 G616 N623	D347-K619 WeakPolarHBondContact OD1-CE 3.32Å; D347-K619 IonicContact OD1-NZ 2.98Å; D347-K619 PolarHBondContact OD1-NZ 3.06Å; D347-K619 IonicContact OD2-NZ 2.66Å; M387-K619 HydrophobicContact CE-CB 3.82Å; M387-K619 HydrophobicContact CE-CD 4.42Å; M387-K619 HydrophobicContact CE-CG 4.33Å; I615-K619 WeakPolarHBondContact O-CB 3.14Å; I615-K619 PolarHBondContact O-N 2.96Å; G616-K619 WeakPolarHBondContact O-CB 3.21Å; G616-K619 PolarHBondContact O-N 3.03Å; K619-N623 WeakPolarHBondContact O-CB 3.37Å; K619-N623 PolarHBondContact O-N 2.74Å; K619-N623 VanDerWaalsContact O-N 3.09Å; K619-N623 PolarHBondContact O-ND2 2.92Å
620	S	62.9	Low	60.4	Low	77.3333 Å²	77.3333	87.1 Å²	87.1	54%	0.541	43%	0.433	S	S	.	.	H	α-helix	trans	-69.7	-42.7	173.3	67.3	0	0	0	0	112.7	K617 Y618 W622 N623 R624	K617-S620 PolarHBondContact O-N 3.32Å; K617-S620 PolarHBondContact O-OG 3.05Å; K617-S620 VanDerWaalsContact O-OG 3.09Å; Y618-S620 PolarHBondContact O-N 2.97Å; Y618-S620 VanDerWaalsContact O-N 3.12Å; S620-W622 PolarHBondContact O-N 3.33Å; S620-N623 PolarHBondContact O-N 3Å; S620-R624 PolarHBondContact O-N 3.02Å; S620-R624 VanDerWaalsContact O-N 3.1Å
621	K	64.1	Low	61.8	Low	91 Å²	91	91.6 Å²	91.6	40%	0.396	45%	0.445	S	S	.	.	H	α-helix	trans	-65.7	-41.2	176.4	-66.9	-169.5	176.3	-164.7	0	112	L577 L580 V581 K617 Y618 N623 R624 A625	L577-K621 HydrophobicContact CD1-CB 3.79Å; L580-K621 WeakPolarHBondContact O-CD 3.49Å; L580-K621 VanDerWaalsContact O-CE 3.25Å; L580-K621 WeakPolarHBondContact O-CE 3.39Å; L580-K621 PolarHBondContact O-NZ 2.68Å; V581-K621 HydrophobicContact CG2-CD 4.24Å; K617-K621 PolarHBondContact O-N 3.43Å; Y618-K621 HydrophobicContact CD1-CB 4.45Å; Y618-K621 HydrophobicContact CD1-CD 4.16Å; Y618-K621 HydrophobicContact CE1-CD 4.33Å; Y618-K621 CarbonylContact O-C 3.55Å; Y618-K621 WeakPolarHBondContact O-CA 3.32Å; Y618-K621 WeakPolarHBondContact O-CB 3.45Å; Y618-K621 PolarHBondContact O-N 3.09Å; Y618-K621 VanDerWaalsContact O-N 3.07Å; K621-N623 VanDerWaalsContact C-N 3.32Å; K621-N623 PolarHBondContact O-N 2.91Å; K621-R624 WeakPolarHBondContact O-CB 3.49Å; K621-R624 PolarHBondContact O-N 3.1Å; K621-R624 VanDerWaalsContact O-N 3.15Å; K621-A625 WeakPolarHBondContact O-CB 3.39Å; K621-A625 PolarHBondContact O-N 2.93Å
622	W	65.5	Low	63.2	Low	78.3333 Å²	78.3333	91.3 Å²	91.3	30%	0.297	44%	0.437	S	S	.	.	H	α-helix	trans	-58.3	-47.2	173.5	-103.8	74.1	0	0	0	112	P343 M387 P413 L414 W573 Y618 S620 R624 A625 K626	P343-W622 HydrophobicContact CB-CH2 3.81Å; P343-W622 HydrophobicContact CB-CZ3 4.24Å; P343-W622 HydrophobicContact CG-CH2 3.88Å; P343-W622 HydrophobicContact CG-CZ3 4.39Å; M387-W622 VanDerWaalsContact CA-CZ2 3.47Å; M387-W622 HydrophobicContact CB-CZ2 4.24Å; M387-W622 HydrophobicContact CG-CH2 4.14Å; M387-W622 HydrophobicContact CG-CZ2 4.32Å; M387-W622 VanDerWaalsContact O-CZ2 3.31Å; M387-W622 WeakPolarHBondContact O-CZ2 3.48Å; M387-W622 PolarHBondContact O-NE1 3.06Å; P413-W622 HydrophobicContact CB-CH2 3.45Å; P413-W622 VanDerWaalsContact CB-CH2 3.45Å; P413-W622 HydrophobicContact CB-CZ2 3.32Å; P413-W622 HydrophobicContact CB-CZ3 4.35Å; P413-W622 HydrophobicContact CG-CZ2 4.23Å; L414-W622 HydrophobicContact CD2-CE3 4.36Å; W573-W622 AromaticContact CH2-CD1 3.96Å; W573-W622 HydrophobicContact CH2-CD2 4.28Å; W573-W622 AromaticContact CH2-CE2 3.98Å; W573-W622 HydrophobicContact CH2-CG 4.22Å; W573-W622 AromaticContact CH2-NE1 3.81Å; W573-W622 HydrophobicContact CZ2-CB 4.19Å; W573-W622 AromaticContact CZ2-CD1 3.81Å; W573-W622 HydrophobicContact CZ2-CD2 4.25Å; W573-W622 AromaticContact CZ2-CG 3.83Å; W573-W622 HydrophobicContact CZ2-CG 3.83Å; Y618-W622 PolarHBondContact O-N 2.98Å; S620-W622 PolarHBondContact O-N 3.33Å; W622-R624 VanDerWaalsContact C-N 3.27Å; W622-R624 PolarHBondContact O-N 3.11Å; W622-A625 PolarHBondContact O-N 2.96Å; W622-K626 HydrophobicContact CH2-CD 3.71Å; W622-K626 HydrophobicContact CZ3-CB 4.45Å; W622-K626 HydrophobicContact CZ3-CD 3.67Å; W622-K626 WeakPolarHBondContact O-CB 3.39Å; W622-K626 PolarHBondContact O-N 3.08Å
623	N	66.7	Low	64.4	Low	81 Å²	81	85.5 Å²	85.5	43%	0.433	41%	0.412	S	S	.	.	H	α-helix	trans	-65.5	-31.7	176.7	-81.1	-60.2	0	0	0	113	K619 S620 K621 K627	K619-N623 WeakPolarHBondContact O-CB 3.37Å; K619-N623 PolarHBondContact O-N 2.74Å; K619-N623 VanDerWaalsContact O-N 3.09Å; K619-N623 PolarHBondContact O-ND2 2.92Å; S620-N623 PolarHBondContact O-N 3Å; K621-N623 VanDerWaalsContact C-N 3.32Å; K621-N623 PolarHBondContact O-N 2.91Å; N623-K627 WeakPolarHBondContact O-CB 3.46Å; N623-K627 VanDerWaalsContact O-CG 3.27Å; N623-K627 WeakPolarHBondContact O-CG 3.43Å; N623-K627 PolarHBondContact O-N 3.34Å; N623-K627 VanDerWaalsContact O-N 3.12Å
624	R	70.4	Confident	65.4	Low	162.667 Å²	162.667	86.5 Å²	86.5	61%	0.614	41%	0.412	S	S	*	.	H	α-helix	trans	-70.8	-44.3	173.5	-168.3	173.4	178.6	177.8	-4.8	111.5	L580 S620 K621 W622 K626 K627 L628	L580-R624 HydrophobicContact CD1-CB 4Å; L580-R624 HydrophobicContact CD1-CG 3.78Å; L580-R624 HydrophobicContact CD2-CG 4.41Å; S620-R624 PolarHBondContact O-N 3.02Å; S620-R624 VanDerWaalsContact O-N 3.1Å; K621-R624 WeakPolarHBondContact O-CB 3.49Å; K621-R624 PolarHBondContact O-N 3.1Å; K621-R624 VanDerWaalsContact O-N 3.15Å; W622-R624 VanDerWaalsContact C-N 3.27Å; W622-R624 PolarHBondContact O-N 3.11Å; R624-K626 VanDerWaalsContact C-N 3.32Å; R624-K626 PolarHBondContact O-N 2.94Å; R624-K627 PolarHBondContact O-N 3.2Å; R624-L628 HydrophobicContact CG-CD1 4.3Å; R624-L628 WeakPolarHBondContact O-CB 3.37Å; R624-L628 VanDerWaalsContact O-CG 3.3Å; R624-L628 WeakPolarHBondContact O-CG 3.46Å; R624-L628 PolarHBondContact O-N 3.04Å; R624-L628 VanDerWaalsContact O-N 3.16Å
625	A	70.1	Confident	66.4	Low	20 Å²	20	85.3 Å²	85.3	17%	0.165	41%	0.413	C	S	.	.	H	α-helix	trans	-61.9	-43.2	174.3	0	0	0	0	0	111.8	I576 L577 L580 K621 W622 K627 L628 L629	I576-A625 HydrophobicContact CG2-CB 3.98Å; L577-A625 HydrophobicContact CB-CB 4.11Å; L577-A625 HydrophobicContact CD1-CB 4.45Å; L580-A625 HydrophobicContact CD1-CB 4.01Å; K621-A625 WeakPolarHBondContact O-CB 3.39Å; K621-A625 PolarHBondContact O-N 2.93Å; W622-A625 PolarHBondContact O-N 2.96Å; A625-K627 PolarHBondContact O-N 3.11Å; A625-L628 PolarHBondContact O-N 3.03Å; A625-L629 PolarHBondContact O-N 3.33Å
626	K	70.1	Confident	67.3	Low	85.6667 Å²	85.6667	85.6 Å²	85.6	37%	0.372	41%	0.41	S	S	.	.	H	α-helix	trans	-56.9	-52.1	174	-178.8	167.9	175.6	169.5	0	111.7	L414 W622 R624 L628 L629 E630	L414-K626 HydrophobicContact CD1-CB 4.35Å; L414-K626 HydrophobicContact CD1-CD 4.23Å; L414-K626 HydrophobicContact CD1-CG 4.48Å; W622-K626 HydrophobicContact CH2-CD 3.71Å; W622-K626 HydrophobicContact CZ3-CB 4.45Å; W622-K626 HydrophobicContact CZ3-CD 3.67Å; W622-K626 WeakPolarHBondContact O-CB 3.39Å; W622-K626 PolarHBondContact O-N 3.08Å; R624-K626 VanDerWaalsContact C-N 3.32Å; R624-K626 PolarHBondContact O-N 2.94Å; K626-L628 VanDerWaalsContact C-N 3.29Å; K626-L628 PolarHBondContact O-N 3.15Å; K626-L629 PolarHBondContact O-N 3.18Å; K626-E630 WeakPolarHBondContact CE-OE1 3.42Å; K626-E630 HydrophobicContact CG-CG 4.32Å; K626-E630 WeakPolarHBondContact CG-OE2 3.3Å; K626-E630 IonicContact NZ-OE1 3.6Å; K626-E630 WeakPolarHBondContact O-CB 3.46Å; K626-E630 VanDerWaalsContact O-CG 3.27Å; K626-E630 WeakPolarHBondContact O-CG 3.36Å; K626-E630 PolarHBondContact O-N 2.98Å
627	K	73.3	Confident	68.1	Low	148.667 Å²	148.667	88.2 Å²	88.2	65%	0.646	41%	0.407	S	S	*	.	H	α-helix	trans	-63.3	-29.7	177.8	-76.1	-178.7	176.6	-175	0	113.7	N623 R624 A625 K631	N623-K627 WeakPolarHBondContact O-CB 3.46Å; N623-K627 VanDerWaalsContact O-CG 3.27Å; N623-K627 WeakPolarHBondContact O-CG 3.43Å; N623-K627 PolarHBondContact O-N 3.34Å; N623-K627 VanDerWaalsContact O-N 3.12Å; R624-K627 PolarHBondContact O-N 3.2Å; A625-K627 PolarHBondContact O-N 3.11Å; K627-K631 WeakPolarHBondContact O-CB 3.4Å; K627-K631 VanDerWaalsContact O-CG 3.32Å; K627-K631 WeakPolarHBondContact O-CG 3.42Å; K627-K631 PolarHBondContact O-N 3.06Å; K627-K631 VanDerWaalsContact O-N 3.11Å
628	L	73.5	Confident	68.8	Low	86 Å²	86	85.5 Å²	85.5	45%	0.45	40%	0.399	S	S	.	.	H	α-helix	trans	-71.3	-47.4	173.8	-74.5	171.2	0	0	0	111.4	I576 L580 R624 A625 K626 E630 K631 E632	I576-L628 HydrophobicContact CG2-CB 3.98Å; I576-L628 HydrophobicContact CG2-CD1 4Å; L580-L628 HydrophobicContact CD1-CD1 4.09Å; L580-L628 HydrophobicContact CD2-CD1 4.22Å; L580-L628 HydrophobicContact CG-CD1 4.44Å; R624-L628 HydrophobicContact CG-CD1 4.3Å; R624-L628 WeakPolarHBondContact O-CB 3.37Å; R624-L628 VanDerWaalsContact O-CG 3.3Å; R624-L628 WeakPolarHBondContact O-CG 3.46Å; R624-L628 PolarHBondContact O-N 3.04Å; R624-L628 VanDerWaalsContact O-N 3.16Å; A625-L628 PolarHBondContact O-N 3.03Å; K626-L628 VanDerWaalsContact C-N 3.29Å; K626-L628 PolarHBondContact O-N 3.15Å; L628-E630 VanDerWaalsContact C-N 3.32Å; L628-E630 PolarHBondContact O-N 3.04Å; L628-K631 WeakPolarHBondContact O-CB 3.45Å; L628-K631 PolarHBondContact O-N 3.16Å; L628-K631 VanDerWaalsContact O-N 3.1Å; L628-E632 WeakPolarHBondContact O-CB 3.37Å; L628-E632 PolarHBondContact O-N 3.12Å
629	L	71.7	Confident	69.1	Low	26.6667 Å²	26.6667	84 Å²	84	14%	0.14	40%	0.402	C	S	.	.	H	α-helix	trans	-64.6	-40	176.8	-172.3	61.5	0	0	0	112.1	F417 L569 R572 W573 I576 A625 K626 K631 E632 I633	F417-L629 HydrophobicContact CE2-CD2 4.27Å; F417-L629 HydrophobicContact CZ-CD2 3.78Å; L569-L629 HydrophobicContact CD2-CD1 4.47Å; R572-L629 HydrophobicContact CG-CD1 3.81Å; W573-L629 HydrophobicContact CB-CD2 3.79Å; I576-L629 HydrophobicContact CD1-CB 3.92Å; I576-L629 HydrophobicContact CD1-CD1 4.19Å; A625-L629 PolarHBondContact O-N 3.33Å; K626-L629 PolarHBondContact O-N 3.18Å; L629-K631 VanDerWaalsContact C-N 3.3Å; L629-K631 PolarHBondContact O-N 3.04Å; L629-E632 HydrophobicContact CD1-CB 4.18Å; L629-E632 HydrophobicContact CD1-CG 4.37Å; L629-E632 WeakPolarHBondContact O-CB 3.49Å; L629-E632 PolarHBondContact O-N 3Å; L629-E632 VanDerWaalsContact O-N 3.16Å; L629-I633 HydrophobicContact CD1-CD1 4.36Å; L629-I633 HydrophobicContact CD1-CG1 4.32Å; L629-I633 HydrophobicContact CD2-CD1 4.36Å; L629-I633 HydrophobicContact CG-CD1 3.97Å; L629-I633 HydrophobicContact CG-CG1 4.37Å; L629-I633 WeakPolarHBondContact O-CB 3.42Å; L629-I633 WeakPolarHBondContact O-CD1 3.22Å; L629-I633 VanDerWaalsContact O-CG1 3.24Å; L629-I633 WeakPolarHBondContact O-CG1 3.34Å; L629-I633 PolarHBondContact O-N 3.27Å
630	E	73.4	Confident	69.1	Low	88 Å²	88	80.5 Å²	80.5	41%	0.411	39%	0.391	S	S	.	.	H	α-helix	trans	-59.3	-43	173.3	-98.8	142.1	-178.8	0	0	111.7	K626 L628 E632 I633 Q634	K626-E630 WeakPolarHBondContact CE-OE1 3.42Å; K626-E630 HydrophobicContact CG-CG 4.32Å; K626-E630 WeakPolarHBondContact CG-OE2 3.3Å; K626-E630 IonicContact NZ-OE1 3.6Å; K626-E630 WeakPolarHBondContact O-CB 3.46Å; K626-E630 VanDerWaalsContact O-CG 3.27Å; K626-E630 WeakPolarHBondContact O-CG 3.36Å; K626-E630 PolarHBondContact O-N 2.98Å; L628-E630 VanDerWaalsContact C-N 3.32Å; L628-E630 PolarHBondContact O-N 3.04Å; E630-E632 VanDerWaalsContact C-N 3.31Å; E630-E632 PolarHBondContact O-N 2.92Å; E630-I633 PolarHBondContact O-N 3.17Å; E630-Q634 VanDerWaalsContact O-CB 3.26Å; E630-Q634 WeakPolarHBondContact O-CB 3.34Å; E630-Q634 PolarHBondContact O-N 3.21Å
631	K	75.5	Confident	68.8	Low	153.333 Å²	153.333	81.9 Å²	81.9	67%	0.667	39%	0.391	S	S	*	.	H	α-helix	trans	-67.4	-37.5	175.7	-141.1	179.2	-179.9	-172.1	0	112.2	K627 L628 L629 Q634 A635	K627-K631 WeakPolarHBondContact O-CB 3.4Å; K627-K631 VanDerWaalsContact O-CG 3.32Å; K627-K631 WeakPolarHBondContact O-CG 3.42Å; K627-K631 PolarHBondContact O-N 3.06Å; K627-K631 VanDerWaalsContact O-N 3.11Å; L628-K631 WeakPolarHBondContact O-CB 3.45Å; L628-K631 PolarHBondContact O-N 3.16Å; L628-K631 VanDerWaalsContact O-N 3.1Å; L629-K631 VanDerWaalsContact C-N 3.3Å; L629-K631 PolarHBondContact O-N 3.04Å; K631-Q634 PolarHBondContact O-N 3.44Å; K631-A635 WeakPolarHBondContact O-CB 3.36Å; K631-A635 PolarHBondContact O-N 3.27Å
632	E	71.6	Confident	68.1	Low	59.6667 Å²	59.6667	83 Å²	83	28%	0.279	40%	0.401	S	S	.	.	H	α-helix	trans	-67.5	-42.3	177.4	-167.6	147.7	165.3	0	0	111.7	R475 Y509 R572 L628 L629 E630 Q634 A635 Y636	R475-E632 PolarHBondContact NH1-O 3.29Å; R475-E632 VanDerWaalsContact NH1-O 3.15Å; R475-E632 VanDerWaalsContact NH2-CG 3.28Å; R475-E632 PolarHBondContact NH2-O 2.84Å; Y509-E632 PolarHBondContact OH-OE1 3.18Å; R572-E632 IonicContact CZ-OE1 2.74Å; R572-E632 IonicContact CZ-OE2 2.74Å; R572-E632 IonicContact NE-OE1 3.3Å; R572-E632 PolarHBondContact NE-OE1 3.17Å; R572-E632 IonicContact NE-OE2 2.69Å; R572-E632 PolarHBondContact NE-OE2 2.72Å; R572-E632 VanDerWaalsContact NH2-CD 3.29Å; R572-E632 IonicContact NH2-OE1 3.88Å; R572-E632 PolarHBondContact NH2-OE1 3.39Å; R572-E632 IonicContact NH2-OE2 3.17Å; R572-E632 PolarHBondContact NH2-OE2 3.11Å; L628-E632 WeakPolarHBondContact O-CB 3.37Å; L628-E632 PolarHBondContact O-N 3.12Å; L629-E632 HydrophobicContact CD1-CB 4.18Å; L629-E632 HydrophobicContact CD1-CG 4.37Å; L629-E632 WeakPolarHBondContact O-CB 3.49Å; L629-E632 PolarHBondContact O-N 3Å; L629-E632 VanDerWaalsContact O-N 3.16Å; E630-E632 VanDerWaalsContact C-N 3.31Å; E630-E632 PolarHBondContact O-N 2.92Å; E632-Q634 VanDerWaalsContact C-N 3.28Å; E632-Q634 PolarHBondContact O-N 3.23Å; E632-A635 WeakPolarHBondContact O-CB 3.27Å; E632-A635 PolarHBondContact O-N 2.85Å; E632-Y636 PolarHBondContact O-N 3.23Å
633	I	71.3	Confident	67.2	Low	34.6667 Å²	34.6667	84.1 Å²	84.1	18%	0.178	42%	0.416	C	S	.	.	H	α-helix	trans	-61.5	-48.6	172.1	-68.6	163.2	0	0	0	110.2	Y509 L629 E630 A635 Y636 R637	Y509-I633 HydrophobicContact CD1-CB 4.33Å; Y509-I633 HydrophobicContact CD1-CG1 3.68Å; Y509-I633 HydrophobicContact CE1-CG1 4.03Å; L629-I633 HydrophobicContact CD1-CD1 4.36Å; L629-I633 HydrophobicContact CD1-CG1 4.32Å; L629-I633 HydrophobicContact CD2-CD1 4.36Å; L629-I633 HydrophobicContact CG-CD1 3.97Å; L629-I633 HydrophobicContact CG-CG1 4.37Å; L629-I633 WeakPolarHBondContact O-CB 3.42Å; L629-I633 WeakPolarHBondContact O-CD1 3.22Å; L629-I633 VanDerWaalsContact O-CG1 3.24Å; L629-I633 WeakPolarHBondContact O-CG1 3.34Å; L629-I633 PolarHBondContact O-N 3.27Å; E630-I633 PolarHBondContact O-N 3.17Å; I633-A635 PolarHBondContact O-N 3.06Å; I633-Y636 WeakPolarHBondContact O-CB 3.47Å; I633-Y636 PolarHBondContact O-N 3.04Å; I633-Y636 VanDerWaalsContact O-N 3.11Å; I633-R637 HydrophobicContact CG2-CG 4.49Å; I633-R637 WeakPolarHBondContact O-CG 3.49Å; I633-R637 PolarHBondContact O-N 2.9Å; I633-R637 VanDerWaalsContact O-N 3.12Å
634	Q	72.4	Confident	66	Low	89.3333 Å²	89.3333	84.3 Å²	84.3	42%	0.417	43%	0.425	S	S	.	.	H	α-helix	trans	-67.5	-37.2	-178.7	-167.3	60.9	43.2	0	0	112.5	E630 K631 E632 Y636 R637 N638	E630-Q634 VanDerWaalsContact O-CB 3.26Å; E630-Q634 WeakPolarHBondContact O-CB 3.34Å; E630-Q634 PolarHBondContact O-N 3.21Å; K631-Q634 PolarHBondContact O-N 3.44Å; E632-Q634 VanDerWaalsContact C-N 3.28Å; E632-Q634 PolarHBondContact O-N 3.23Å; Q634-Y636 VanDerWaalsContact C-N 3.35Å; Q634-Y636 PolarHBondContact O-N 3.16Å; Q634-R637 PolarHBondContact O-N 3.13Å; Q634-N638 PolarHBondContact NE2-OD1 2.89Å; Q634-N638 VanDerWaalsContact O-CB 3.31Å; Q634-N638 WeakPolarHBondContact O-CB 3.38Å; Q634-N638 PolarHBondContact O-N 3.41Å; Q634-N638 PolarHBondContact O-OD1 3.1Å
635	A	71.3	Confident	64.4	Low	48.6667 Å²	48.6667	80.4 Å²	80.4	40%	0.402	42%	0.422	S	S	.	.	H	α-helix	trans	-60.6	-38.9	173.3	0	0	0	0	0	111.7	K631 E632 I633 N638 S639	K631-A635 WeakPolarHBondContact O-CB 3.36Å; K631-A635 PolarHBondContact O-N 3.27Å; E632-A635 WeakPolarHBondContact O-CB 3.27Å; E632-A635 PolarHBondContact O-N 2.85Å; I633-A635 PolarHBondContact O-N 3.06Å; A635-N638 PolarHBondContact O-N 3.37Å; A635-S639 WeakPolarHBondContact O-CB 3.36Å; A635-S639 PolarHBondContact O-N 3.09Å; A635-S639 PolarHBondContact O-OG 3.1Å; A635-S639 VanDerWaalsContact O-OG 3.07Å
636	Y	66.1	Low	62.8	Low	75.3333 Å²	75.3333	82.6 Å²	82.6	30%	0.295	44%	0.44	S	S	.	.	H	α-helix	trans	-69.7	-42	176.7	-162.4	-88.7	0	0	0	113	P477 D507 Y509 K510 E632 I633 Q634 N638 S639 T640	P477-Y636 VanDerWaalsContact CA-OH 3.32Å; P477-Y636 WeakPolarHBondContact CA-OH 3.35Å; P477-Y636 HydrophobicContact CB-CE2 3.86Å; P477-Y636 WeakPolarHBondContact CB-OH 3.46Å; P477-Y636 PolarHBondContact O-OH 2.98Å; D507-Y636 VanDerWaalsContact CG-OH 3.27Å; D507-Y636 VanDerWaalsContact OD1-CE1 3.27Å; D507-Y636 WeakPolarHBondContact OD1-CE1 3.38Å; D507-Y636 PolarHBondContact OD1-OH 3.44Å; D507-Y636 WeakPolarHBondContact OD2-CE1 3.44Å; D507-Y636 VanDerWaalsContact OD2-CZ 3.31Å; D507-Y636 PolarHBondContact OD2-OH 3.18Å; Y509-Y636 AromaticContact CD2-CD1 3.87Å; Y509-Y636 HydrophobicContact CD2-CD1 3.87Å; Y509-Y636 AromaticContact CD2-CD2 3.79Å; Y509-Y636 HydrophobicContact CD2-CD2 3.79Å; Y509-Y636 HydrophobicContact CD2-CE1 4.16Å; Y509-Y636 HydrophobicContact CD2-CE2 4.09Å; Y509-Y636 AromaticContact CD2-CG 3.65Å; Y509-Y636 HydrophobicContact CD2-CG 3.65Å; Y509-Y636 HydrophobicContact CE2-CD2 4.36Å; Y509-Y636 HydrophobicContact CG-CD1 4.05Å; Y509-Y636 HydrophobicContact CG-CG 4.12Å; K510-Y636 HydrophobicContact CG-CE1 4.42Å; E632-Y636 PolarHBondContact O-N 3.23Å; I633-Y636 WeakPolarHBondContact O-CB 3.47Å; I633-Y636 PolarHBondContact O-N 3.04Å; I633-Y636 VanDerWaalsContact O-N 3.11Å; Q634-Y636 VanDerWaalsContact C-N 3.35Å; Q634-Y636 PolarHBondContact O-N 3.16Å; Y636-N638 VanDerWaalsContact C-N 3.33Å; Y636-N638 PolarHBondContact O-N 2.97Å; Y636-S639 WeakPolarHBondContact CA-OG 3.42Å; Y636-S639 PolarHBondContact O-N 3.21Å; Y636-S639 PolarHBondContact O-OG 3.09Å; Y636-T640 HydrophobicContact CE1-CG2 3.79Å; Y636-T640 HydrophobicContact CE2-CG2 3.97Å; Y636-T640 VanDerWaalsContact CZ-CG2 3.41Å; Y636-T640 WeakPolarHBondContact O-CB 3.46Å; Y636-T640 PolarHBondContact O-N 3.15Å; Y636-T640 PolarHBondContact O-OG1 3.27Å; Y636-T640 VanDerWaalsContact OH-CG2 3.23Å; Y636-T640 WeakPolarHBondContact OH-CG2 3.35Å
637	R	67.1	Low	61.2	Low	97.3333 Å²	97.3333	83.3 Å²	83.3	37%	0.367	46%	0.456	S	S	.	.	H	α-helix	trans	-60	-46.5	173.1	-72.8	176.9	175.9	159.1	-2.6	110.9	Y509 E512 I633 Q634 S639 T640 I641	Y509-R637 PolarHBondContact O-NE 3Å; Y509-R637 PolarHBondContact O-NH2 3.36Å; E512-R637 IonicContact OE1-CZ 3.2Å; E512-R637 IonicContact OE1-NH1 3.19Å; E512-R637 PolarHBondContact OE1-NH1 2.94Å; E512-R637 IonicContact OE1-NH2 2.69Å; E512-R637 PolarHBondContact OE1-NH2 3.38Å; I633-R637 HydrophobicContact CG2-CG 4.49Å; I633-R637 WeakPolarHBondContact O-CG 3.49Å; I633-R637 PolarHBondContact O-N 2.9Å; I633-R637 VanDerWaalsContact O-N 3.12Å; Q634-R637 PolarHBondContact O-N 3.13Å; R637-S639 VanDerWaalsContact C-N 3.3Å; R637-S639 PolarHBondContact O-N 3.17Å; R637-T640 PolarHBondContact O-N 3.2Å; R637-T640 PolarHBondContact O-OG1 3.09Å; R637-I641 WeakPolarHBondContact O-CB 3.19Å; R637-I641 WeakPolarHBondContact O-CD1 3.3Å; R637-I641 VanDerWaalsContact O-CG1 3.23Å; R637-I641 WeakPolarHBondContact O-CG1 3.32Å; R637-I641 PolarHBondContact O-N 3.41Å
638	N	69.1	Low	59.2	Low	81 Å²	81	81.5 Å²	81.5	43%	0.433	46%	0.462	S	S	.	.	H	α-helix	trans	-61.6	-40.2	176.4	-67	2.3	0	0	0	112.2	Q634 A635 Y636 T640 I641 N642	Q634-N638 PolarHBondContact NE2-OD1 2.89Å; Q634-N638 VanDerWaalsContact O-CB 3.31Å; Q634-N638 WeakPolarHBondContact O-CB 3.38Å; Q634-N638 PolarHBondContact O-N 3.41Å; Q634-N638 PolarHBondContact O-OD1 3.1Å; A635-N638 PolarHBondContact O-N 3.37Å; Y636-N638 VanDerWaalsContact C-N 3.33Å; Y636-N638 PolarHBondContact O-N 2.97Å; N638-T640 VanDerWaalsContact C-N 3.33Å; N638-T640 PolarHBondContact O-N 3.34Å; N638-I641 PolarHBondContact O-N 2.96Å; N638-N642 WeakPolarHBondContact O-CB 3.48Å; N638-N642 PolarHBondContact O-N 3.15Å; N638-N642 PolarHBondContact O-ND2 3.45Å; N638-N642 PolarHBondContact O-OD1 3.07Å
639	S	64.3	Low	57.3	Low	62.6667 Å²	62.6667	81.7 Å²	81.7	44%	0.438	47%	0.47	S	S	.	.	H	α-helix	trans	-68.3	-39.1	176.4	37.5	0	0	0	0	112.6	A635 Y636 R637 N642 V643	A635-S639 WeakPolarHBondContact O-CB 3.36Å; A635-S639 PolarHBondContact O-N 3.09Å; A635-S639 PolarHBondContact O-OG 3.1Å; A635-S639 VanDerWaalsContact O-OG 3.07Å; Y636-S639 WeakPolarHBondContact CA-OG 3.42Å; Y636-S639 PolarHBondContact O-N 3.21Å; Y636-S639 PolarHBondContact O-OG 3.09Å; R637-S639 VanDerWaalsContact C-N 3.3Å; R637-S639 PolarHBondContact O-N 3.17Å; S639-N642 PolarHBondContact O-N 2.98Å; S639-V643 VanDerWaalsContact O-CG2 3.32Å; S639-V643 WeakPolarHBondContact O-CG2 3.38Å; S639-V643 PolarHBondContact O-N 3.18Å
640	T	60.1	Low	55.4	Low	42.6667 Å²	42.6667	87 Å²	87	26%	0.262	50%	0.499	S	S	.	.	H	α-helix	trans	-69.6	-41	179.1	-22.7	0	0	0	0	112.2	Y636 R637 N638 N642 V643 S644	Y636-T640 HydrophobicContact CE1-CG2 3.79Å; Y636-T640 HydrophobicContact CE2-CG2 3.97Å; Y636-T640 VanDerWaalsContact CZ-CG2 3.41Å; Y636-T640 WeakPolarHBondContact O-CB 3.46Å; Y636-T640 PolarHBondContact O-N 3.15Å; Y636-T640 PolarHBondContact O-OG1 3.27Å; Y636-T640 VanDerWaalsContact OH-CG2 3.23Å; Y636-T640 WeakPolarHBondContact OH-CG2 3.35Å; R637-T640 PolarHBondContact O-N 3.2Å; R637-T640 PolarHBondContact O-OG1 3.09Å; N638-T640 VanDerWaalsContact C-N 3.33Å; N638-T640 PolarHBondContact O-N 3.34Å; T640-N642 VanDerWaalsContact C-N 3.3Å; T640-N642 PolarHBondContact O-N 3.04Å; T640-V643 PolarHBondContact O-N 2.96Å; T640-V643 VanDerWaalsContact O-N 3.13Å; T640-S644 WeakPolarHBondContact O-CB 3.26Å; T640-S644 PolarHBondContact O-N 3.22Å; T640-S644 PolarHBondContact O-OG 3.07Å; T640-S644 VanDerWaalsContact O-OG 3.13Å
641	I	56.4	Low	53.3	Low	106.667 Å²	106.667	89 Å²	89	55%	0.547	52%	0.517	S	S	.	.	H	α-helix	trans	-59.1	-38.5	176.3	-69.8	164.4	0	0	0	111.2	R637 N638 V643 S644 S645	R637-I641 WeakPolarHBondContact O-CB 3.19Å; R637-I641 WeakPolarHBondContact O-CD1 3.3Å; R637-I641 VanDerWaalsContact O-CG1 3.23Å; R637-I641 WeakPolarHBondContact O-CG1 3.32Å; R637-I641 PolarHBondContact O-N 3.41Å; N638-I641 PolarHBondContact O-N 2.96Å; I641-V643 VanDerWaalsContact C-N 3.34Å; I641-V643 PolarHBondContact O-N 3.39Å; I641-S644 PolarHBondContact O-N 3.36Å; I641-S645 WeakPolarHBondContact O-CB 3Å; I641-S645 PolarHBondContact O-N 3.43Å; I641-S645 PolarHBondContact O-OG 3.4Å
642	N	49.1	Very low	51	Low	115.333 Å²	115.333	89.3 Å²	89.3	62%	0.617	53%	0.525	S	S	*	.	H	α-helix	trans	-72.2	-25.9	179.1	-72.3	-9.3	0	0	0	113.3	N638 S639 T640 S645 A646	N638-N642 WeakPolarHBondContact O-CB 3.48Å; N638-N642 PolarHBondContact O-N 3.15Å; N638-N642 PolarHBondContact O-ND2 3.45Å; N638-N642 PolarHBondContact O-OD1 3.07Å; S639-N642 PolarHBondContact O-N 2.98Å; T640-N642 VanDerWaalsContact C-N 3.3Å; T640-N642 PolarHBondContact O-N 3.04Å; N642-S645 WeakPolarHBondContact O-CB 3.43Å; N642-S645 PolarHBondContact O-N 3.42Å; N642-S645 PolarHBondContact O-OG 3.29Å; N642-A646 WeakPolarHBondContact O-CB 3.23Å; N642-A646 PolarHBondContact O-N 3.18Å
643	V	47.5	Very low	48.8	Very low	100.667 Å²	100.667	91.8 Å²	91.8	61%	0.61	55%	0.548	S	S	*	.	H	α-helix	trans	-78.6	-32.8	175.8	175.2	0	0	0	0	111.3	S639 T640 I641 S645 A646 S647	S639-V643 VanDerWaalsContact O-CG2 3.32Å; S639-V643 WeakPolarHBondContact O-CG2 3.38Å; S639-V643 PolarHBondContact O-N 3.18Å; T640-V643 PolarHBondContact O-N 2.96Å; T640-V643 VanDerWaalsContact O-N 3.13Å; I641-V643 VanDerWaalsContact C-N 3.34Å; I641-V643 PolarHBondContact O-N 3.39Å; V643-S645 VanDerWaalsContact C-N 3.34Å; V643-S645 PolarHBondContact O-N 3.22Å; V643-A646 PolarHBondContact O-N 2.86Å; V643-A646 VanDerWaalsContact O-N 3.12Å; V643-S647 WeakPolarHBondContact O-CB 3.49Å; V643-S647 PolarHBondContact O-N 3.05Å; V643-S647 VanDerWaalsContact O-N 3.13Å; V643-S647 PolarHBondContact O-OG 2.87Å
644	S	40.8	Very low	46.7	Very low	86.3333 Å²	86.3333	95.7 Å²	95.7	60%	0.604	58%	0.578	S	S	*	*	H	α-helix	trans	-69.9	-22.2	178.8	-57.5	0	0	0	0	113.8	T640 I641 S648	T640-S644 WeakPolarHBondContact O-CB 3.26Å; T640-S644 PolarHBondContact O-N 3.22Å; T640-S644 PolarHBondContact O-OG 3.07Å; T640-S644 VanDerWaalsContact O-OG 3.13Å; I641-S644 PolarHBondContact O-N 3.36Å; S644-S648 PolarHBondContact O-OG 2.89Å
645	S	37.4	Very low	44.6	Very low	80.3333 Å²	80.3333	95.8 Å²	95.8	56%	0.562	59%	0.594	S	S	*	*	H	α-helix	trans	-89.1	-22.2	-179	36.8	0	0	0	0	113.7	I641 N642 V643 S647 S648 S649	I641-S645 WeakPolarHBondContact O-CB 3Å; I641-S645 PolarHBondContact O-N 3.43Å; I641-S645 PolarHBondContact O-OG 3.4Å; N642-S645 WeakPolarHBondContact O-CB 3.43Å; N642-S645 PolarHBondContact O-N 3.42Å; N642-S645 PolarHBondContact O-OG 3.29Å; V643-S645 VanDerWaalsContact C-N 3.34Å; V643-S645 PolarHBondContact O-N 3.22Å; S645-S647 VanDerWaalsContact C-N 3.3Å; S645-S647 PolarHBondContact O-N 3.11Å; S645-S648 WeakPolarHBondContact O-CB 3.44Å; S645-S648 PolarHBondContact O-N 3.41Å; S645-S648 VanDerWaalsContact O-N 3.13Å; S645-S648 PolarHBondContact O-OG 2.97Å; S645-S648 VanDerWaalsContact O-OG 3.12Å; S645-S649 PolarHBondContact O-OG 3.43Å; S645-S649 VanDerWaalsContact O-OG 3.11Å
646	A	37.5	Very low	42.6	Very low	65 Å²	65	99.7 Å²	99.7	54%	0.537	61%	0.612	S	S	.	*	H	α-helix	trans	-85.3	-26.5	177.1	0	0	0	0	0	112.6	N642 V643 S648 S649	N642-A646 WeakPolarHBondContact O-CB 3.23Å; N642-A646 PolarHBondContact O-N 3.18Å; V643-A646 PolarHBondContact O-N 2.86Å; V643-A646 VanDerWaalsContact O-N 3.12Å; A646-S648 PolarHBondContact O-N 3.29Å; A646-S648 VanDerWaalsContact O-N 3.13Å; A646-S649 PolarHBondContact O-N 2.74Å; A646-S649 PolarHBondContact O-OG 3.19Å
647	S	34.8	Very low	40.9	Very low	102 Å²	102	102.9 Å²	102.9	71%	0.713	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-41.3	3	172.7	-56.2	0	0	0	0	116	V643 S645 S649	V643-S647 WeakPolarHBondContact O-CB 3.49Å; V643-S647 PolarHBondContact O-N 3.05Å; V643-S647 VanDerWaalsContact O-N 3.13Å; V643-S647 PolarHBondContact O-OG 2.87Å; S645-S647 VanDerWaalsContact C-N 3.3Å; S645-S647 PolarHBondContact O-N 3.11Å; S647-S649 VanDerWaalsContact C-N 3.33Å; S647-S649 PolarHBondContact O-N 3.12Å
648	S	32.8	Very low	39.1	Very low	109.333 Å²	109.333	103.4 Å²	103.4	77%	0.765	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	22.9	171.8	25.4	0	0	0	0	113.5	S644 S645 A646	S644-S648 PolarHBondContact O-OG 2.89Å; S645-S648 WeakPolarHBondContact O-CB 3.44Å; S645-S648 PolarHBondContact O-N 3.41Å; S645-S648 VanDerWaalsContact O-N 3.13Å; S645-S648 PolarHBondContact O-OG 2.97Å; S645-S648 VanDerWaalsContact O-OG 3.12Å; A646-S648 PolarHBondContact O-N 3.29Å; A646-S648 VanDerWaalsContact O-N 3.13Å
649	S	32	Very low	37.3	Very low	89.6667 Å²	89.6667	107 Å²	107	63%	0.627	67%	0.667	S	S	*	*	S	Bend	trans	-133	85.7	179.8	17.4	0	0	0	0	114.4	S645 A646 S647	S645-S649 PolarHBondContact O-OG 3.43Å; S645-S649 VanDerWaalsContact O-OG 3.11Å; A646-S649 PolarHBondContact O-N 2.74Å; A646-S649 PolarHBondContact O-OG 3.19Å; S647-S649 VanDerWaalsContact C-N 3.33Å; S647-S649 PolarHBondContact O-N 3.12Å
650	N	32	Very low	35.7	Very low	139.667 Å²	139.667	107.5 Å²	107.5	75%	0.747	68%	0.675	S	S	*	*			trans	55.9	59.7	165.5	-70.6	-12	0	0	0	118.3	L652 L674	N650-L652 PolarHBondContact O-N 3.19Å; N650-L674 WeakPolarHBondContact ND2-CD1 3.45Å
651	V	29.7	Very low	34.8	Very low	129 Å²	129	110.7 Å²	110.7	78%	0.782	70%	0.696	S	S	*	*			trans	-49.7	105.3	143.6	178.4	0	0	0	0	112	C653	V651-C653 VanDerWaalsContact C-N 3.3Å; V651-C653 PolarHBondContact O-N 3.25Å
652	L	27.2	Very low	33.6	Very low	160 Å²	160	111 Å²	111	84%	0.838	70%	0.703	S	S	*	*			trans	-146	106.8	150.4	-97.3	165	0	0	0	112.8	N650 S654	N650-L652 PolarHBondContact O-N 3.19Å; L652-S654 PolarHBondContact O-N 3.46Å
653	C	25.8	Very low	32.6	Very low	112.333 Å²	112.333	113.5 Å²	113.5	76%	0.759	72%	0.715	S	S	*	*			trans	-44	111.6	163.7	-68.2	0	0	0	0	114.8	V651	V651-C653 VanDerWaalsContact C-N 3.3Å; V651-C653 PolarHBondContact O-N 3.25Å
654	S	26.9	Very low	31.8	Very low	115.667 Å²	115.667	112.6 Å²	112.6	81%	0.809	72%	0.718	S	S	*	*			trans	-134.4	144.3	145.6	91.6	0	0	0	0	116.9	L652	L652-S654 PolarHBondContact O-N 3.46Å
655	A	28.1	Very low	31.2	Very low	91.3333 Å²	91.3333	113.8 Å²	113.8	76%	0.755	73%	0.726	S	S	*	*			trans	39.1	121.8	160.7	0	0	0	0	0	120
656	V	29.6	Very low	30.7	Very low	131 Å²	131	114.7 Å²	114.7	79%	0.794	73%	0.733	S	S	*	*			trans	-115.4	125.7	150	176.7	0	0	0	0	113.4
657	N	31.7	Very low	30.3	Very low	142.333 Å²	142.333	117.6 Å²	117.6	76%	0.761	74%	0.743	S	S	*	*			trans	166.4	128.6	157.1	-77.5	-31.3	0	0	0	117
658	T	29.1	Very low	30	Very low	109 Å²	109	118 Å²	118	67%	0.669	74%	0.742	S	S	*	*			trans	-11.7	135.6	138.6	-21	0	0	0	0	115.2	D810 N812	T658-D810 WeakPolarHBondContact CG2-O 3.49Å; T658-N812 HydrophobicContact CG2-CB 4.5Å
659	I	30.6	Very low	29.6	Very low	156.667 Å²	156.667	117.6 Å²	117.6	80%	0.803	74%	0.739	S	S	*	*				-143.1	150.4	75.5	-51.2	175.4	0	0	0	109.4	N812	I659-N812 CarbonylContact C-O 3.6Å; I659-N812 WeakPolarHBondContact CA-O 3.42Å; I659-N812 HydrophobicContact CG2-CB 4.42Å
660	A	29.9	Very low	29.4	Very low	73.3333 Å²	73.3333	119 Å²	119	61%	0.606	74%	0.744	S	S	*	*			trans	-92.7	161.2	149.7	0	0	0	0	0	115.1	N812 L813 C814	A660-N812 PolarHBondContact N-O 2.72Å; A660-L813 CarbonylContact O-C 3.17Å; A660-L813 VanDerWaalsContact O-O 3.09Å; A660-C814 CarbonylContact C-O 3.48Å; A660-C814 CarbonylContact O-C 3.03Å; A660-C814 WeakPolarHBondContact O-CA 3.21Å; A660-C814 PolarHBondContact O-N 3.41Å
661	P	41.8	Very low	29.2	Very low	108.333 Å²	108.333	118.3 Å²	118.3	70%	0.703	75%	0.745	S	S	*	*			trans	-94.1	161.4	-175.9	37.2	-35.5	0	0	0	115.6	N812 L813 C814	P661-N812 WeakPolarHBondContact CB-OD1 3.44Å; P661-N812 WeakPolarHBondContact CG-OD1 3.31Å; P661-L813 WeakPolarHBondContact CA-O 3.49Å; P661-C814 CarbonylContact C-O 3.06Å; P661-C814 WeakPolarHBondContact CA-O 3.42Å
662	T	31.5	Very low	29.1	Very low	113.333 Å²	113.333	117.9 Å²	117.9	70%	0.695	75%	0.748	S	S	*	*			trans	-153.9	119.8	150.3	-0.8	0	0	0	0	112.7	C814 A815	T662-C814 PolarHBondContact N-O 2.9Å; T662-C814 VanDerWaalsContact N-O 3.1Å; T662-C814 PolarHBondContact N-SG 3.33Å; T662-C814 VanDerWaalsContact N-SG 3.44Å; T662-C814 PolarHBondContact O-SG 3.22Å; T662-A815 PolarHBondContact OG1-O 3.18Å
663	L	27.7	Very low	28.9	Very low	168.667 Å²	168.667	118 Å²	118	88%	0.883	75%	0.746	S	S	*	*			trans	2.2	142.7	153	-64.8	164.5	0	0	0	118.5
664	A	30.2	Very low	29	Very low	81 Å²	81	119.3 Å²	119.3	67%	0.669	74%	0.744	S	S	*	*			cis	-165.8	147.6	19.6	0	0	0	0	0	110.4
665	S	28.2	Very low	29.3	Very low	111.333 Å²	111.333	119.3 Å²	119.3	78%	0.779	74%	0.742	S	S	*	*			trans	41.2	140.8	130.8	54.5	0	0	0	0	116.8
666	S	27.3	Very low	29.3	Very low	98.6667 Å²	98.6667	120.7 Å²	120.7	69%	0.69	74%	0.741	S	S	*	*			cis	161.6	165.7	15.6	64.4	0	0	0	0	110.9
667	V	29.9	Very low	29.2	Very low	126 Å²	126	120.6 Å²	120.6	76%	0.764	74%	0.74	S	S	*	*			trans	88.8	136.6	131.7	-143.3	0	0	0	0	114.9
668	T	27.9	Very low	29.1	Very low	111.667 Å²	111.667	117.9 Å²	117.9	69%	0.685	74%	0.738	S	S	*	*			cis	-106.7	154.7	33.6	6	0	0	0	0	113.4
669	S	25.5	Very low	29	Very low	100 Å²	100	118 Å²	118	70%	0.699	74%	0.743	S	S	*	*				110.7	147.6	81.1	45.5	0	0	0	0	115.1
670	T	27.1	Very low	28.8	Very low	119 Å²	119	119.3 Å²	119.3	73%	0.73	75%	0.746	S	S	*	*			cis	174.9	146.1	46.8	20.5	0	0	0	0	115.8
671	T	26.6	Very low	28.6	Very low	125.667 Å²	125.667	120.6 Å²	120.6	77%	0.771	75%	0.75	S	S	*	*			trans	38.9	114.1	154.5	16.2	0	0	0	0	120.6	M673	T671-M673 HydrophobicContact CG2-CG 4.48Å
672	S	28.2	Very low	28	Very low	119.667 Å²	119.667	122.2 Å²	122.2	84%	0.837	75%	0.752	S	S	*	*			trans	178.4	160	139.9	44.8	0	0	0	0	112.9
673	M	24.2	Very low	27.7	Very low	162.667 Å²	162.667	124.6 Å²	124.6	80%	0.801	76%	0.758	S	S	*	*			trans	-134	164.8	-140.8	-99.8	-72	177.2	0	0	113.2	T671	T671-M673 HydrophobicContact CG2-CG 4.48Å
674	L	27.7	Very low	27.7	Very low	139.333 Å²	139.333	123.4 Å²	123.4	73%	0.729	75%	0.752	S	S	*	*			trans	38.4	151.7	165.2	-65.9	162.4	0	0	0	115.4	N650 V676	N650-L674 WeakPolarHBondContact ND2-CD1 3.45Å; L674-V676 HydrophobicContact CD2-CG2 3.92Å
675	P	33.3	Very low	27.6	Very low	117 Å²	117	125.6 Å²	125.6	76%	0.76	76%	0.758	S	S	*	*			cis	-136.1	175.2	39.7	39.7	-24.4	0	0	0	116.2
676	V	26.3	Very low	27.5	Very low	119.333 Å²	119.333	128.5 Å²	128.5	72%	0.723	76%	0.761	S	S	*	*			trans	-116	144.2	161.9	176.5	0	0	0	0	114	L674	L674-V676 HydrophobicContact CD2-CG2 3.92Å
677	V	28.4	Very low	27.7	Very low	128.667 Å²	128.667	131.8 Å²	131.8	78%	0.78	77%	0.765	S	S	*	*			trans	59.3	128.7	156.3	-174.5	0	0	0	0	115.2
678	A	28.7	Very low	27.7	Very low	86 Å²	86	132.1 Å²	132.1	71%	0.711	76%	0.762	S	S	*	*			trans	-143.3	146.4	160.7	0	0	0	0	0	109.2
679	S	27.6	Very low	28.1	Very low	111.667 Å²	111.667	132.3 Å²	132.3	78%	0.781	77%	0.766	S	S	*	*				-163	129.8	121.2	36.3	0	0	0	0	110.5
680	Q	26.7	Very low	28.2	Very low	185 Å²	185	133.2 Å²	133.2	86%	0.864	77%	0.767	S	S	*	*			trans	-77.9	155.6	177.3	-62.5	176.9	-2.5	0	0	111.7
681	S	26.3	Very low	28.3	Very low	99.3333 Å²	99.3333	132.8 Å²	132.8	70%	0.695	77%	0.769	S	S	*	*				163.8	150.1	114.8	59.9	0	0	0	0	112
682	N	28	Very low	28.4	Very low	141.333 Å²	141.333	131.7 Å²	131.7	76%	0.756	77%	0.773	S	S	*	*			trans	73.7	140.4	141.4	-65.4	-27.5	0	0	0	116.2
683	M	25.3	Very low	28.5	Very low	164.667 Å²	164.667	132 Å²	132	81%	0.811	78%	0.775	S	S	*	*				70.2	124.3	108.7	-66.8	-93.7	-126.5	0	0	113.1	T685	M683-T685 PolarHBondContact O-N 3.27Å
684	D	27.7	Very low	28.9	Very low	143.333 Å²	143.333	127.7 Å²	127.7	77%	0.766	77%	0.772	S	S	*	*				-99.1	132.6	123.8	-71.9	-55.7	0	0	0	114.5	M686	D684-M686 PolarHBondContact O-N 3.31Å
685	T	27.7	Very low	29	Very low	127.333 Å²	127.333	128.3 Å²	128.3	78%	0.781	78%	0.781	S	S	*	*			trans	-103.9	115.1	167.9	-59	0	0	0	0	110.1	M683	M683-T685 PolarHBondContact O-N 3.27Å
686	M	28	Very low	28.9	Very low	172 Å²	172	125.7 Å²	125.7	85%	0.847	78%	0.776	S	S	*	*			trans	-94.9	121.2	159.1	-78.5	-120.5	-156.8	0	0	113.8	D684 N688	D684-M686 PolarHBondContact O-N 3.31Å; M686-N688 PolarHBondContact O-N 2.85Å
687	H	30.1	Very low	29.1	Very low	168 Å²	168	126.8 Å²	126.8	78%	0.778	78%	0.783	S	S	*	*			trans	-96.3	127.1	148.6	-102.3	-83.6	0	0	0	117.3
688	N	29.6	Very low	29.1	Very low	131.667 Å²	131.667	126.3 Å²	126.3	70%	0.704	79%	0.785	S	S	*	*			trans	-26	151.5	148.3	-114.3	-13	0	0	0	115.9	M686 V690	M686-N688 PolarHBondContact O-N 2.85Å; N688-V690 WeakPolarHBondContact OD1-CG2 3.31Å
689	P	36.9	Very low	29.3	Very low	116.333 Å²	116.333	125.8 Å²	125.8	76%	0.755	79%	0.788	S	S	*	*				-124.7	160.3	105	39.5	-28.8	0	0	0	116.3
690	V	28.1	Very low	29.3	Very low	118.333 Å²	118.333	128.1 Å²	128.1	72%	0.717	79%	0.786	S	S	*	*			trans	35.1	117.1	159.9	176.8	0	0	0	0	118.2	N688	N688-V690 WeakPolarHBondContact OD1-CG2 3.31Å
691	S	27.8	Very low	29.3	Very low	111.667 Å²	111.667	125.6 Å²	125.6	78%	0.781	78%	0.784	S	S	*	*			trans	55.6	123.8	141.4	-57.5	0	0	0	0	122.7
692	A	30.2	Very low	29.3	Very low	103 Å²	103	125.3 Å²	125.3	85%	0.851	78%	0.781	S	S	*	*			trans	-168.3	132.9	131.6	0	0	0	0	0	113.8
693	S	30.1	Very low	29.2	Very low	125.333 Å²	125.333	125.6 Å²	125.6	88%	0.876	78%	0.781	S	S	*	*			trans	-100.6	139.2	168.1	-41.4	0	0	0	0	114.4
694	G	31.7	Very low	29.3	Very low	71.6667 Å²	71.6667	124.1 Å²	124.1	74%	0.739	78%	0.781	S	S	*	*			trans	-168.6	73.1	169.4	0	0	0	0	0	117.9
695	V	30.3	Very low	29.4	Very low	151.667 Å²	151.667	125.2 Å²	125.2	92%	0.919	78%	0.782	S	S	*	*			trans	55.2	122.1	163.7	-178.5	0	0	0	0	116.2
696	G	31.5	Very low	29.7	Very low	64 Å²	64	124.6 Å²	124.6	66%	0.66	78%	0.78	S	S	*	*			trans	157.2	92.5	155.8	0	0	0	0	0	116.9
697	T	31.3	Very low	29.6	Very low	142.333 Å²	142.333	121.2 Å²	121.2	87%	0.873	77%	0.773	S	S	*	*			trans	-125.9	161.5	149.9	31.3	0	0	0	0	114.3
698	S	27.7	Very low	29.5	Very low	117 Å²	117	122.9 Å²	122.9	82%	0.818	78%	0.778	S	S	*	*			cis	-146.6	158.5	-48.3	-146.7	0	0	0	0	110.8
699	G	32.7	Very low	29.4	Very low	75.6667 Å²	75.6667	122.2 Å²	122.2	78%	0.78	78%	0.779	S	S	*	*			trans	170	98.2	170.1	0	0	0	0	0	113
700	H	27.8	Very low	29	Very low	160.333 Å²	160.333	124.3 Å²	124.3	74%	0.742	78%	0.782	S	S	*	*				117.8	124.9	80.1	-176.5	-81.1	0	0	0	113.3	S702	H700-S702 PolarHBondContact CE1-OG 2.73Å
701	V	27.5	Very low	28.9	Very low	133 Å²	133	123.5 Å²	123.5	81%	0.806	78%	0.782	S	S	*	*			trans	104.8	131.4	164.3	-175.4	0	0	0	0	114.3
702	S	26	Very low	28.9	Very low	92 Å²	92	126.6 Å²	126.6	64%	0.643	78%	0.784	S	S	*	*			trans	-150.5	155.5	175.5	-104.6	0	0	0	0	113.3	H700	H700-S702 PolarHBondContact CE1-OG 2.73Å
703	I	24.6	Very low	29.1	Very low	148 Å²	148	127 Å²	127	76%	0.759	78%	0.778	S	S	*	*			trans	-55.7	150.7	160.9	-60.2	164.5	0	0	0	112
704	V	27.8	Very low	29	Very low	134 Å²	134	126.4 Å²	126.4	81%	0.812	77%	0.768	S	S	*	*			trans	-175.3	124.1	137.4	-174.2	0	0	0	0	112.7
705	H	29.4	Very low	28.9	Very low	166.667 Å²	166.667	129 Å²	129	77%	0.772	77%	0.765	S	S	*	*			trans	-82	173.3	163.2	-88	-65.1	0	0	0	110.2
706	P	34.8	Very low	28.8	Very low	114.333 Å²	114.333	126.4 Å²	126.4	74%	0.742	75%	0.754	S	S	*	*			cis	-145.4	171.1	36.5	35	-14.2	0	0	0	117.2
707	S	26.4	Very low	28.6	Very low	99.6667 Å²	99.6667	132.3 Å²	132.3	70%	0.697	76%	0.757	S	S	*	*			trans	-48.2	140.9	157.8	-4.6	0	0	0	0	117.9
708	K	28	Very low	28.4	Very low	203.333 Å²	203.333	135.4 Å²	135.4	88%	0.884	76%	0.755	S	S	*	*			trans	176.6	140.1	143.2	-108.6	176	-176.7	-178.9	0	116
709	T	27.5	Very low	28.4	Very low	118 Å²	118	134.7 Å²	134.7	72%	0.724	75%	0.75	S	S	*	*			trans	-93.7	150.2	153.5	-0.1	0	0	0	0	114.7
710	I	27.7	Very low	28.2	Very low	159.667 Å²	159.667	138 Å²	138	82%	0.819	75%	0.75	S	S	*	*			trans	-169.1	129.5	143.6	-82.9	154.7	0	0	0	111.3
711	S	26.3	Very low	28.7	Very low	102.333 Å²	102.333	135.3 Å²	135.3	72%	0.716	75%	0.746	S	S	*	*				171.8	138.8	129.6	-23.4	0	0	0	0	114.7
712	E	27.5	Very low	28.7	Very low	176.333 Å²	176.333	139.1 Å²	139.1	82%	0.824	75%	0.748	S	S	*	*			trans	14.1	163.8	140.6	-77.6	-173.6	168.5	0	0	118.1
713	P	35.1	Very low	28.8	Very low	111.667 Å²	111.667	139.8 Å²	139.8	73%	0.725	75%	0.753	S	S	*	*			cis	-132.5	174.3	25.1	30.9	-12	0	0	0	115
714	V	27.2	Very low	28.9	Very low	112 Å²	112	137.1 Å²	137.1	68%	0.679	75%	0.747	S	S	*	*			trans	63.9	136.4	160.3	-177.1	0	0	0	0	115.8
715	D	29.1	Very low	29.2	Very low	127 Å²	127	139.1 Å²	139.1	68%	0.679	75%	0.747	S	S	*	*				-176.5	142.7	107.3	-105.4	-25.3	0	0	0	115.2	Y717	D715-Y717 VanDerWaalsContact OD1-CE2 3.27Å; D715-Y717 WeakPolarHBondContact OD1-CE2 3.43Å
716	S	28.7	Very low	29	Very low	97 Å²	97	139.1 Å²	139.1	68%	0.678	75%	0.747	S	S	*	*				111.9	149.8	91.2	75.1	0	0	0	0	117.5
717	Y	27.4	Very low	28.6	Very low	187 Å²	187	139.4 Å²	139.4	73%	0.733	75%	0.747	S	S	*	*			trans	-134.8	152.7	-149.8	-79.7	-83	0	0	0	114.9	D715	D715-Y717 VanDerWaalsContact OD1-CE2 3.27Å; D715-Y717 WeakPolarHBondContact OD1-CE2 3.43Å
718	Y	28.3	Very low	28.6	Very low	208.333 Å²	208.333	139.6 Å²	139.6	82%	0.817	75%	0.748	S	S	*	*			trans	169.9	137.8	136	-106.7	-89	0	0	0	115.3
719	S	27.1	Very low	28.6	Very low	103 Å²	103	135 Å²	135	72%	0.72	74%	0.742	S	S	*	*			trans	-166.5	147.3	150.4	34.1	0	0	0	0	117.1
720	N	27.8	Very low	28.6	Very low	145.333 Å²	145.333	135.1 Å²	135.1	78%	0.777	74%	0.742	S	S	*	*			trans	-72.5	172	167.5	-114.6	3.7	0	0	0	116
721	P	38.2	Very low	28.5	Very low	102.333 Å²	102.333	130.6 Å²	130.6	67%	0.665	74%	0.735	S	S	*	*			trans	-130.5	177.2	-151.9	41.4	-23.3	0	0	0	113.5
722	Y	27.5	Very low	28.5	Very low	213.667 Å²	213.667	134.4 Å²	134.4	84%	0.838	74%	0.742	S	S	*	*			trans	-157.4	141.5	146.3	-98.5	-82.4	0	0	0	113.1
723	S	28.1	Very low	28.4	Very low	107 Å²	107	129.4 Å²	129.4	75%	0.748	74%	0.737	S	S	*	*			trans	60.6	148	156.6	-94.3	0	0	0	0	118.4
724	S	27.9	Very low	27.9	Very low	91.3333 Å²	91.3333	132.3 Å²	132.3	64%	0.639	75%	0.746	S	S	*	*			cis	-154.6	145.3	-30.7	51.7	0	0	0	0	112.8
725	H	32.7	Very low	27.9	Very low	176 Å²	176	133.3 Å²	133.3	82%	0.815	75%	0.752	S	S	*	*			trans	82	153.4	160.5	-67.3	-58.8	0	0	0	115.3
726	Q	26.7	Very low	27.8	Very low	166.333 Å²	166.333	132.2 Å²	132.2	78%	0.777	75%	0.754	S	S	*	*			cis	-152.4	153.4	-44.4	-128.9	-173.3	1.1	0	0	111
727	V	26.4	Very low	27.7	Very low	121 Å²	121	135.3 Å²	135.3	73%	0.733	76%	0.761	S	S	*	*			trans	49.3	119.2	153.4	-172.7	0	0	0	0	119.3
728	S	25.7	Very low	27.8	Very low	103 Å²	103	129.3 Å²	129.3	72%	0.72	76%	0.757	S	S	*	*				-154.1	140.9	127.1	17.9	0	0	0	0	113.1	A593 S594	A593-S728 CarbonylContact C-O 3.59Å; A593-S728 CarbonylContact O-C 3.58Å; S594-S728 PolarHBondContact O-N 2.93Å
729	S	26.6	Very low	27.8	Very low	107 Å²	107	128.1 Å²	128.1	75%	0.748	76%	0.756	S	S	*	*			trans	-157.5	171.5	160.6	64.7	0	0	0	0	114.1	G592 A593	G592-S729 VanDerWaalsContact CA-OG 3.23Å; G592-S729 WeakPolarHBondContact CA-OG 3.33Å; A593-S729 PolarHBondContact N-OG 2.88Å; A593-S729 CarbonylContact O-C 3.52Å; A593-S729 WeakPolarHBondContact O-CA 3.26Å; A593-S729 PolarHBondContact O-N 3.13Å; A593-S729 PolarHBondContact O-OG 3.23Å; A593-S729 VanDerWaalsContact O-OG 3.13Å
730	T	27.5	Very low	27.7	Very low	119.333 Å²	119.333	131.8 Å²	131.8	73%	0.732	76%	0.759	S	S	*	*			trans	-167.9	152.4	-177.8	39.9	0	0	0	0	113.2	G592 A593 S594	G592-T730 VanDerWaalsContact O-CG2 3.27Å; G592-T730 WeakPolarHBondContact O-CG2 3.39Å; A593-T730 WeakPolarHBondContact CA-OG1 3.47Å; A593-T730 PolarHBondContact O-N 2.96Å; A593-T730 PolarHBondContact O-OG1 3.11Å; S594-T730 WeakPolarHBondContact CA-OG1 3.3Å; S594-T730 PolarHBondContact N-OG1 2.84Å
731	G	25.9	Very low	27.6	Very low	65.6667 Å²	65.6667	130.1 Å²	130.1	68%	0.677	76%	0.755	S	S	*	*			trans	140.6	122.1	170.3	0	0	0	0	0	114.1	G733	G731-G733 PolarHBondContact O-N 2.94Å
732	H	27.1	Very low	27	Very low	183 Å²	183	131.4 Å²	131.4	85%	0.847	76%	0.76	S	S	*	*			trans	-39.3	122.5	172	-65.7	-73.5	0	0	0	114.2
733	G	25.5	Very low	26.8	Very low	71.3333 Å²	71.3333	127.3 Å²	127.3	74%	0.735	76%	0.758	S	S	*	*			trans	-140.7	98.8	163.7	0	0	0	0	0	115.1	G731	G731-G733 PolarHBondContact O-N 2.94Å
734	L	25.2	Very low	26.8	Very low	172.667 Å²	172.667	128.1 Å²	128.1	90%	0.904	76%	0.758	S	S	*	*			trans	-95.5	118.5	157.9	-76.3	169.5	0	0	0	113.7
735	T	26	Very low	26.9	Very low	133 Å²	133	129.2 Å²	129.2	82%	0.816	76%	0.762	S	S	*	*			trans	-100.9	138.8	159.7	45.7	0	0	0	0	114.2
736	S	26.3	Very low	26.8	Very low	102.667 Å²	102.667	126.8 Å²	126.8	72%	0.718	76%	0.762	S	S	*	*			trans	-53.8	133.4	153.3	176.4	0	0	0	0	114.2
737	I	27.4	Very low	26.9	Very low	161.333 Å²	161.333	124.5 Å²	124.5	83%	0.827	77%	0.765	S	S	*	*			trans	-87.4	136.9	152.3	-64.8	175.3	0	0	0	111.7	K739	I737-K739 HydrophobicContact CG2-CG 4.42Å
738	G	28.7	Very low	27	Very low	62 Å²	62	123.2 Å²	123.2	64%	0.639	77%	0.767	S	S	*	*			trans	130.6	140.4	-176.8	0	0	0	0	0	115.4
739	K	28.8	Very low	27.2	Very low	183 Å²	183	125 Å²	125	80%	0.796	77%	0.774	S	S	*	*			trans	-98.2	135.2	164.4	-65.8	-173.5	176.4	-176.6	0	112.9	I737	I737-K739 HydrophobicContact CG2-CG 4.42Å
740	F	26	Very low	27.3	Very low	180 Å²	180	124.5 Å²	124.5	79%	0.789	78%	0.776	S	S	*	*			trans	-91.1	156.4	155.9	-99	-114.5	0	0	0	110.4
741	T	25.1	Very low	27.4	Very low	111.333 Å²	111.333	123.5 Å²	123.5	68%	0.683	78%	0.78	S	S	*	*			trans	-126.7	128.4	152.5	-55.4	0	0	0	0	109.7
742	V	24.9	Very low	27.7	Very low	129 Å²	129	126.4 Å²	126.4	78%	0.782	79%	0.787	S	S	*	*			trans	-118.6	124.9	174.7	177.8	0	0	0	0	108.6	V744	V742-V744 PolarHBondContact O-N 2.84Å
743	T	24.7	Very low	27.8	Very low	128.333 Å²	128.333	122.4 Å²	122.4	79%	0.787	79%	0.785	S	S	*	*			trans	-93.3	131	177.7	-51.5	0	0	0	0	111.5
744	V	27.5	Very low	28	Very low	123.333 Å²	123.333	126.4 Å²	126.4	75%	0.747	79%	0.788	S	S	*	*			trans	-111.3	135.8	172.1	-177.2	0	0	0	0	108.6	V742	V742-V744 PolarHBondContact O-N 2.84Å
745	P	29.6	Very low	28.4	Very low	113.333 Å²	113.333	123.6 Å²	123.6	74%	0.736	78%	0.78	S	S	*	*			trans	-76.6	156.1	-179.1	30.4	-34.7	0	0	0	113.3
746	P	31	Very low	28.5	Very low	125.333 Å²	125.333	123.9 Å²	123.9	81%	0.814	78%	0.777	S	S	*	*			trans	-92.3	166.5	-168.5	36.5	-36.1	0	0	0	114.4
747	S	28	Very low	28.7	Very low	118 Å²	118	125.1 Å²	125.1	83%	0.825	78%	0.78	S	S	*	*			trans	-96.4	141.8	172.7	-146.2	0	0	0	0	112.7
748	A	29.3	Very low	28.7	Very low	93.6667 Å²	93.6667	124.6 Å²	124.6	77%	0.774	78%	0.778	S	S	*	*			trans	-132.6	142.9	173.4	0	0	0	0	0	112.6
749	T	29.1	Very low	29	Very low	142 Å²	142	126.8 Å²	126.8	87%	0.871	78%	0.781	S	S	*	*			trans	-83.7	133.8	177.9	-0.3	0	0	0	0	114.2
750	A	30.1	Very low	28.8	Very low	96.3333 Å²	96.3333	122.4 Å²	122.4	80%	0.796	77%	0.773	S	S	*	*				-163.7	120	122.9	0	0	0	0	0	114.1
751	A	28.4	Very low	28.9	Very low	98 Å²	98	121.7 Å²	121.7	81%	0.81	78%	0.777	S	S	*	*			trans	-74.1	149.5	152.6	0	0	0	0	0	113.7
752	P	32.8	Very low	29	Very low	126.333 Å²	126.333	120.8 Å²	120.8	82%	0.82	78%	0.775	S	S	*	*			trans	-109.6	167.1	155.4	37.6	-30.2	0	0	0	113.6
753	A	30.4	Very low	29.2	Very low	98.6667 Å²	98.6667	122 Å²	122	82%	0.815	78%	0.776	S	S	*	*			trans	-127.6	150.4	158.1	0	0	0	0	0	112.9
754	I	29.6	Very low	29.5	Very low	156 Å²	156	123.3 Å²	123.3	80%	0.8	78%	0.778	S	S	*	*			trans	-103.6	150.1	179.1	-43.7	170.7	0	0	0	108.8	N756	I754-N756 HydrophobicContact CG2-CB 4.25Å; I754-N756 PolarHBondContact O-N 3.1Å
755	P	32.2	Very low	29.6	Very low	114 Å²	114	120.8 Å²	120.8	74%	0.74	78%	0.778	S	S	*	*			trans	-112.2	148.4	164.3	31.6	-23	0	0	0	112.3	V757	P755-V757 PolarHBondContact O-N 3.17Å
756	N	28.7	Very low	30	Very low	139.667 Å²	139.667	121.8 Å²	121.8	75%	0.747	79%	0.785	S	S	*	*				69.9	118.9	124.3	-104.6	-16.8	0	0	0	115.6	I754	I754-N756 HydrophobicContact CG2-CB 4.25Å; I754-N756 PolarHBondContact O-N 3.1Å
757	V	30.9	Very low	30	Very low	127.667 Å²	127.667	119.2 Å²	119.2	77%	0.774	78%	0.781	S	S	*	*			trans	174	107.4	135.9	171.8	0	0	0	0	112.2	P755	P755-V757 PolarHBondContact O-N 3.17Å
758	L	27.2	Very low	30.6	Very low	149.667 Å²	149.667	119.8 Å²	119.8	78%	0.784	78%	0.782	S	S	*	*			trans	-66.8	145.5	152.6	-98.1	155.1	0	0	0	112.5
759	P	33.8	Very low	30.7	Very low	109.333 Å²	109.333	121.7 Å²	121.7	71%	0.71	78%	0.783	S	S	*	*				-133.8	138.8	92.5	32.3	-13.2	0	0	0	113.3
760	S	26.2	Very low	31.1	Very low	90.6667 Å²	90.6667	120.9 Å²	120.9	63%	0.634	78%	0.781	S	S	*	*			trans	28.6	134.6	143.4	63	0	0	0	0	119.3
761	L	27.8	Very low	31.1	Very low	165 Å²	165	121.1 Å²	121.1	86%	0.864	78%	0.776	S	S	*	*			trans	90.6	139.7	149.6	-60.8	175.2	0	0	0	114.4
762	S	27.5	Very low	31.6	Very low	93.3333 Å²	93.3333	122.4 Å²	122.4	65%	0.653	78%	0.776	S	S	*	*			cis	-149.2	165.5	-37	-92.9	0	0	0	0	111.9
763	L	28.7	Very low	31.6	Very low	152.333 Å²	152.333	121.8 Å²	121.8	80%	0.798	77%	0.771	S	S	*	*			trans	32.9	131.4	157.5	-64.4	135.7	0	0	0	118.2
764	N	30.7	Very low	31.8	Very low	155.667 Å²	155.667	122.8 Å²	122.8	83%	0.832	77%	0.769	S	S	*	*			trans	65.8	135.7	142.4	-72.4	-22.5	0	0	0	117.5
765	G	30.3	Very low	32	Very low	71.6667 Å²	71.6667	122.3 Å²	122.3	74%	0.739	77%	0.767	S	S	*	*			trans	-105.7	162	176.9	0	0	0	0	0	115.7
766	P	37.9	Very low	32.3	Very low	135.333 Å²	135.333	122.1 Å²	122.1	88%	0.879	77%	0.765	S	S	*	*			trans	-111.8	149.4	163.8	36	-31.4	0	0	0	115.5
767	G	30.7	Very low	32.6	Very low	70.6667 Å²	70.6667	121.2 Å²	121.2	73%	0.729	77%	0.767	S	S	*	*			trans	-60.3	173.7	165.2	0	0	0	0	0	114.8
768	P	39.6	Very low	32.6	Very low	130 Å²	130	123.6 Å²	123.6	84%	0.844	77%	0.77	S	S	*	*				-115.2	168.5	71.3	37.3	-30.2	0	0	0	115.4
769	T	31.1	Very low	32.8	Very low	132.333 Å²	132.333	124.5 Å²	124.5	81%	0.812	77%	0.77	S	S	*	*			trans	-81.7	155.7	172.3	51.3	0	0	0	0	112.4
770	P	37.9	Very low	32.5	Very low	125.333 Å²	125.333	124.2 Å²	124.2	81%	0.814	77%	0.77	S	S	*	*				-122.6	151.9	124.2	35.3	-26.2	0	0	0	114.9
771	S	31.7	Very low	32.6	Very low	101.333 Å²	101.333	126 Å²	126	71%	0.709	78%	0.777	S	S	*	*			trans	-70	166	172.2	55.7	0	0	0	0	113.9	T773	S771-T773 PolarHBondContact O-N 2.87Å
772	P	36.9	Very low	32.6	Very low	124.667 Å²	124.667	121.2 Å²	121.2	81%	0.81	77%	0.767	S	S	*	*				-124.8	158.8	90.8	36.8	-25.5	0	0	0	116.7
773	T	33.4	Very low	32.6	Very low	115 Å²	115	124.1 Å²	124.1	71%	0.706	77%	0.774	S	S	*	*			trans	-85.8	159.5	176	-19.9	0	0	0	0	112.2	S771 I775	S771-T773 PolarHBondContact O-N 2.87Å; T773-I775 HydrophobicContact CG2-CD1 4.32Å; T773-I775 HydrophobicContact CG2-CG1 4.14Å
774	P	35.3	Very low	32.5	Very low	118.667 Å²	118.667	124.6 Å²	124.6	77%	0.771	77%	0.772	S	S	*	*				-117.4	152.8	118.6	14.5	1.1	0	0	0	114.6
775	I	32.9	Very low	32.3	Very low	147 Å²	147	126.3 Å²	126.3	75%	0.754	77%	0.772	S	S	*	*				96.2	131.8	54.3	-67.8	172	0	0	0	112.1	T773	T773-I775 HydrophobicContact CG2-CD1 4.32Å; T773-I775 HydrophobicContact CG2-CG1 4.14Å
776	P	38.4	Very low	32.1	Very low	109.333 Å²	109.333	127.4 Å²	127.4	71%	0.71	77%	0.769	S	S	*	*			trans	-95.2	-178.2	-170.6	19.6	-5.6	0	0	0	113
777	P	36.4	Very low	31.6	Very low	119.333 Å²	119.333	125.8 Å²	125.8	78%	0.775	76%	0.761	S	S	*	*			trans	-124.9	162.4	135.5	36.2	-27.4	0	0	0	115.6	Q779	P777-Q779 PolarHBondContact O-N 3.4Å
778	Q	29.6	Very low	31.5	Very low	179.667 Å²	179.667	130.9 Å²	130.9	84%	0.84	77%	0.766	S	S	*	*			trans	-63.3	152.3	169.2	-62.1	175.8	-15.9	0	0	115.6	S780	Q778-S780 PolarHBondContact O-N 3.18Å
779	Q	31.9	Very low	31	Very low	168.333 Å²	168.333	130.8 Å²	130.8	79%	0.787	76%	0.762	S	S	*	*				-151.1	111.9	126.7	-70.9	-178.1	-1.5	0	0	113.7	P777	P777-Q779 PolarHBondContact O-N 3.4Å
780	S	27.3	Very low	31	Very low	103 Å²	103	129.7 Å²	129.7	72%	0.72	76%	0.758	S	S	*	*				16.7	129.2	119.5	66.8	0	0	0	0	116.1	Q778	Q778-S780 PolarHBondContact O-N 3.18Å
781	V	29	Very low	30.5	Very low	128.333 Å²	128.333	131.4 Å²	131.4	78%	0.778	76%	0.758	S	S	*	*			trans	-163.3	134.3	142.8	-178.9	0	0	0	0	111.5	I783	V781-I783 HydrophobicContact CG1-CD1 4.42Å; V781-I783 HydrophobicContact CG1-CG1 4.31Å
782	G	27.3	Very low	30.3	Very low	64 Å²	64	131.5 Å²	131.5	66%	0.66	76%	0.758	S	S	*	*				88.8	133.1	89.3	0	0	0	0	0	115.5	Q784	G782-Q784 PolarHBondContact O-N 2.92Å
783	I	28.2	Very low	29.7	Very low	153.333 Å²	153.333	130.6 Å²	130.6	79%	0.786	76%	0.755	S	S	*	*			trans	-169.5	112.5	134.7	-69.2	171.5	0	0	0	112.9	V781 K785	V781-I783 HydrophobicContact CG1-CD1 4.42Å; V781-I783 HydrophobicContact CG1-CG1 4.31Å; I783-K785 HydrophobicContact CG2-CG 4.42Å
784	Q	25.7	Very low	29.3	Very low	163.333 Å²	163.333	130.9 Å²	130.9	76%	0.763	76%	0.761	S	S	*	*			trans	18.3	127.7	148.2	-64.6	-173.1	0.7	0	0	118.5	G782 S786	G782-Q784 PolarHBondContact O-N 2.92Å; Q784-S786 PolarHBondContact O-N 3.49Å
785	K	26.8	Very low	28.9	Very low	191 Å²	191	129.6 Å²	129.6	83%	0.83	76%	0.755	S	S	*	*			trans	80.4	128.7	140.1	-98.7	-175.3	178.1	-176.8	0	113.4	I783	I783-K785 HydrophobicContact CG2-CG 4.42Å
786	S	26.2	Very low	28.6	Very low	96 Å²	96	129.7 Å²	129.7	67%	0.671	76%	0.757	S	S	*	*			cis	-161.2	152.3	-1.3	-91.6	0	0	0	0	108.9	Q784	Q784-S786 PolarHBondContact O-N 3.49Å
787	S	27	Very low	28.1	Very low	101.667 Å²	101.667	129.1 Å²	129.1	71%	0.711	76%	0.755	S	S	*	*				79.6	146.9	88.8	-76.9	0	0	0	0	113.1	V789	S787-V789 PolarHBondContact O-N 2.92Å
788	E	28.6	Very low	27.8	Very low	177.667 Å²	177.667	128.5 Å²	128.5	83%	0.83	75%	0.754	S	S	*	*			cis	-125	155	42.2	-113.3	157	153.2	0	0	110.9	P790	E788-P790 VanDerWaalsContact O-CD 3.32Å; E788-P790 WeakPolarHBondContact O-CD 3.46Å
789	V	28.7	Very low	27.8	Very low	128 Å²	128	125.6 Å²	125.6	78%	0.776	75%	0.749	S	S	*	*			trans	-70.7	137.8	158.6	169.3	0	0	0	0	111.6	S787 I791	S787-V789 PolarHBondContact O-N 2.92Å; V789-I791 PolarHBondContact O-N 3.48Å
790	P	32.4	Very low	27.7	Very low	109.333 Å²	109.333	124.4 Å²	124.4	71%	0.71	75%	0.747	S	S	*	*			trans	-99.1	149.7	-154	18.1	-8.6	0	0	0	115.5	E788 S792	E788-P790 VanDerWaalsContact O-CD 3.32Å; E788-P790 WeakPolarHBondContact O-CD 3.46Å; P790-S792 PolarHBondContact O-N 2.83Å; P790-S792 VanDerWaalsContact O-N 3.13Å
791	I	27.3	Very low	27.7	Very low	160.333 Å²	160.333	130 Å²	130	82%	0.822	75%	0.754	S	S	*	*			trans	-65.6	128.8	158.6	-51.7	170.2	0	0	0	112.1	V789 S793	V789-I791 PolarHBondContact O-N 3.48Å; I791-S793 VanDerWaalsContact C-N 3.27Å; I791-S793 PolarHBondContact O-N 2.69Å
792	S	27.3	Very low	27.6	Very low	102.667 Å²	102.667	128.3 Å²	128.3	72%	0.718	75%	0.753	S	S	*	*			trans	-151.3	111.9	-176.9	25.5	0	0	0	0	110.2	P790 C794	P790-S792 PolarHBondContact O-N 2.83Å; P790-S792 VanDerWaalsContact O-N 3.13Å; S792-C794 PolarHBondContact O-N 2.74Å
793	S	24.7	Very low	27.6	Very low	106.333 Å²	106.333	129.7 Å²	129.7	74%	0.744	76%	0.758	S	S	*	*			trans	39.4	117.9	140	73.8	0	0	0	0	113.9	I791 S795	I791-S793 VanDerWaalsContact C-N 3.27Å; I791-S793 PolarHBondContact O-N 2.69Å; S793-S795 PolarHBondContact O-N 3.41Å
794	C	25.4	Very low	27.7	Very low	122 Å²	122	127.9 Å²	127.9	82%	0.824	76%	0.756	S	S	*	*			trans	-133.5	121.5	147.7	-115.9	0	0	0	0	110.2	S792 N796	S792-C794 PolarHBondContact O-N 2.74Å; C794-N796 PolarHBondContact O-N 3.5Å
795	S	25.1	Very low	27.8	Very low	91.3333 Å²	91.3333	126.2 Å²	126.2	64%	0.639	76%	0.757	S	S	*	*			trans	-121.2	151.3	-157.6	-47.2	0	0	0	0	110.3	S793 S797	S793-S795 PolarHBondContact O-N 3.41Å; S795-S797 PolarHBondContact O-N 3.38Å
796	N	27.5	Very low	27.8	Very low	148.667 Å²	148.667	121.9 Å²	121.9	80%	0.795	75%	0.751	S	S	*	*			trans	69.1	122.2	171.2	-54.2	-26.6	0	0	0	114.2	C794 S798	C794-N796 PolarHBondContact O-N 3.5Å; N796-S798 PolarHBondContact O-N 3.04Å
797	S	27.4	Very low	27.8	Very low	97.6667 Å²	97.6667	124.1 Å²	124.1	68%	0.683	76%	0.755	S	S	*	*			cis	-132.1	150	-2.4	-37.8	0	0	0	0	109.3	S795 T799	S795-S797 PolarHBondContact O-N 3.38Å; S797-T799 VanDerWaalsContact C-N 3.3Å; S797-T799 PolarHBondContact O-N 3.43Å
798	S	30.8	Very low	27.9	Very low	106.333 Å²	106.333	126.9 Å²	126.9	74%	0.744	76%	0.756	S	S	*	*			trans	-146	129.9	139.2	-55.7	0	0	0	0	114.6	N796 L800	N796-S798 PolarHBondContact O-N 3.04Å; S798-L800 PolarHBondContact O-N 2.8Å
799	T	29.9	Very low	27.8	Very low	119 Å²	119	124.2 Å²	124.2	73%	0.73	75%	0.752	S	S	*	*			trans	-132	118.9	145.6	41.2	0	0	0	0	114.2	S797	S797-T799 VanDerWaalsContact C-N 3.3Å; S797-T799 PolarHBondContact O-N 3.43Å
800	L	29	Very low	27.8	Very low	143.333 Å²	143.333	124.5 Å²	124.5	75%	0.75	75%	0.749	S	S	*	*				-172.7	143	129.1	-85.9	171.3	0	0	0	114.1	S798 A802	S798-L800 PolarHBondContact O-N 2.8Å; L800-A802 PolarHBondContact O-N 3.09Å; L800-A802 VanDerWaalsContact O-N 3.11Å
801	Y	26.8	Very low	27.6	Very low	220.5 Å²	220.5	122.9 Å²	122.9	87%	0.865	75%	0.746	S	S	*	*			trans	-19.8	127.1	164.6	-76	-95.9	0	0	0	115.7	A803	Y801-A803 PolarHBondContact O-N 3.3Å
802	A	26.5	Very low	27.7	Very low	91.75 Å²	91.75	121.4 Å²	121.4	76%	0.758	74%	0.739	S	S	*	*				-158.6	131.5	105.3	0	0	0	0	0	111.6	L800 P804	L800-A802 PolarHBondContact O-N 3.09Å; L800-A802 VanDerWaalsContact O-N 3.11Å; A802-P804 WeakPolarHBondContact O-CD 3.36Å
803	A	27.6	Very low	27.7	Very low	92.75 Å²	92.75	124.1 Å²	124.1	77%	0.767	75%	0.745	S	S	*	*			trans	-84.6	151.1	169.2	0	0	0	0	0	112.3	Y801 V805	Y801-A803 PolarHBondContact O-N 3.3Å; A803-V805 PolarHBondContact O-N 3.37Å; A803-V805 VanDerWaalsContact O-N 3.13Å
804	P	30.7	Very low	27.8	Very low	115.5 Å²	115.5	124 Å²	124	75%	0.75	74%	0.743	S	S	*	*			trans	-120.2	158.1	152.2	36.3	-25.2	0	0	0	112.8	A802 S806	A802-P804 WeakPolarHBondContact O-CD 3.36Å; P804-S806 PolarHBondContact O-N 3.17Å
805	V	27.4	Very low	27.9	Very low	129 Å²	129	122.4 Å²	122.4	78%	0.782	74%	0.738	S	S	*	*			trans	11.2	125.9	140.2	176.6	0	0	0	0	112.9	A803 L807	A803-V805 PolarHBondContact O-N 3.37Å; A803-V805 VanDerWaalsContact O-N 3.13Å; V805-L807 HydrophobicContact CG1-CG 4.48Å; V805-L807 PolarHBondContact O-N 3.06Å
806	S	26.7	Very low	28.1	Very low	100.75 Å²	100.75	129.1 Å²	129.1	71%	0.705	75%	0.75	S	S	*	*			trans	-118.5	152.1	157.6	-76.4	0	0	0	0	112.9	P804	P804-S806 PolarHBondContact O-N 3.17Å
807	L	27.5	Very low	28	Very low	142.5 Å²	142.5	132.4 Å²	132.4	75%	0.746	75%	0.751	S	S	*	*			trans	108.8	137.6	145.8	-69.9	162.9	0	0	0	112.8	V805	V805-L807 HydrophobicContact CG1-CG 4.48Å; V805-L807 PolarHBondContact O-N 3.06Å
808	Q	28.4	Very low	28.2	Very low	159.25 Å²	159.25	133.5 Å²	133.5	74%	0.744	76%	0.756	S	S	*	*			cis	-179.5	131.3	10.9	-160.7	175.1	-37.3	0	0	111.5	D810	Q808-D810 PolarHBondContact O-N 3.09Å; Q808-D810 VanDerWaalsContact O-N 3.07Å
809	T	27.4	Very low	28.1	Very low	121.5 Å²	121.5	134.6 Å²	134.6	75%	0.745	76%	0.758	S	S	*	*			trans	36.2	121.1	160.2	27.2	0	0	0	0	114.7	A811	T809-A811 PolarHBondContact O-N 3.08Å
810	D	28.3	Very low	28.1	Very low	133.75 Å²	133.75	133.7 Å²	133.7	72%	0.715	76%	0.756	S	S	*	*				-125.4	137.3	75	-106.9	-31.4	0	0	0	108.8	T658 Q808 N812	T658-D810 WeakPolarHBondContact CG2-O 3.49Å; Q808-D810 PolarHBondContact O-N 3.09Å; Q808-D810 VanDerWaalsContact O-N 3.07Å; D810-N812 PolarHBondContact O-N 3.16Å; D810-N812 VanDerWaalsContact O-N 3.13Å
811	A	28.2	Very low	28	Very low	77 Å²	77	133.5 Å²	133.5	64%	0.636	76%	0.756	S	S	*	*				132.7	115.1	112.9	0	0	0	0	0	114.3	T809	T809-A811 PolarHBondContact O-N 3.08Å
812	N	29.5	Very low	28.2	Very low	128.75 Å²	128.75	130.8 Å²	130.8	69%	0.689	75%	0.751	S	S	*	*			trans	-172.5	118.9	165.9	-75.2	-69.7	0	0	0	110.1	T658 I659 A660 P661 D810 C814	T658-N812 HydrophobicContact CG2-CB 4.5Å; I659-N812 CarbonylContact C-O 3.6Å; I659-N812 WeakPolarHBondContact CA-O 3.42Å; I659-N812 HydrophobicContact CG2-CB 4.42Å; A660-N812 PolarHBondContact N-O 2.72Å; P661-N812 WeakPolarHBondContact CB-OD1 3.44Å; P661-N812 WeakPolarHBondContact CG-OD1 3.31Å; D810-N812 PolarHBondContact O-N 3.16Å; D810-N812 VanDerWaalsContact O-N 3.13Å; N812-C814 PolarHBondContact O-N 3.09Å
813	L	27.3	Very low	28.2	Very low	158.5 Å²	158.5	135.5 Å²	135.5	83%	0.83	76%	0.755	S	S	*	*			cis	51.1	120.1	46.2	-97.1	166.5	0	0	0	114.1	A660 P661	A660-L813 CarbonylContact O-C 3.17Å; A660-L813 VanDerWaalsContact O-O 3.09Å; P661-L813 WeakPolarHBondContact CA-O 3.49Å
814	C	26.8	Very low	28.3	Very low	105 Å²	105	135.8 Å²	135.8	71%	0.709	75%	0.751	S	S	*	*			trans	168.7	119.2	162.7	-144.5	0	0	0	0	116.6	A660 P661 T662 N812	A660-C814 CarbonylContact C-O 3.48Å; A660-C814 CarbonylContact O-C 3.03Å; A660-C814 WeakPolarHBondContact O-CA 3.21Å; A660-C814 PolarHBondContact O-N 3.41Å; P661-C814 CarbonylContact C-O 3.06Å; P661-C814 WeakPolarHBondContact CA-O 3.42Å; T662-C814 PolarHBondContact N-O 2.9Å; T662-C814 VanDerWaalsContact N-O 3.1Å; T662-C814 PolarHBondContact N-SG 3.33Å; T662-C814 VanDerWaalsContact N-SG 3.44Å; T662-C814 PolarHBondContact O-SG 3.22Å; N812-C814 PolarHBondContact O-N 3.09Å
815	A	27.6	Very low	28.1	Very low	87.5 Å²	87.5	136.1 Å²	136.1	72%	0.723	75%	0.751	S	S	*	*			trans	80.6	129.7	161.6	0	0	0	0	0	116.5	T662	T662-A815 PolarHBondContact OG1-O 3.18Å
816	R	28.6	Very low	28.1	Very low	232.75 Å²	232.75	136.9 Å²	136.9	88%	0.878	75%	0.749	S	S	*	*			trans	-151.1	139.6	135.3	-84.3	178.3	-179.8	-156	-0.9	114.9
817	R	26.4	Very low	28.2	Very low	217.25 Å²	217.25	139.4 Å²	139.4	82%	0.82	75%	0.753	S	S	*	*			trans	-47.3	147.1	146.5	-74.2	-178.7	176.1	166.8	0.4	111.4	V819 E1421	R817-V819 HydrophobicContact CB-CG2 4.16Å; R817-E1421 IonicContact CZ-OE2 2.69Å; R817-E1421 IonicContact NH1-OE2 3.67Å; R817-E1421 IonicContact NH2-OE1 3.03Å; R817-E1421 PolarHBondContact NH2-OE1 2.84Å; R817-E1421 IonicContact NH2-OE2 2.74Å; R817-E1421 PolarHBondContact NH2-OE2 3.4Å
818	P	31.1	Very low	28.3	Very low	121.75 Å²	121.75	138.2 Å²	138.2	79%	0.791	75%	0.752	S	S	*	*				-116	162.2	109	34.4	-28.5	0	0	0	112.8
819	V	28.7	Very low	28.5	Very low	129.5 Å²	129.5	136 Å²	136	79%	0.785	75%	0.752	S	S	*	*			trans	160.1	128.8	153.9	-173.9	0	0	0	0	110.3	R817	R817-V819 HydrophobicContact CB-CG2 4.16Å
820	S	28.8	Very low	28.4	Very low	99.5 Å²	99.5	135.1 Å²	135.1	70%	0.696	75%	0.75	S	S	*	*			trans	1.3	146.4	154.1	-18.3	0	0	0	0	115.5
821	D	28.6	Very low	28.5	Very low	138.5 Å²	138.5	136.3 Å²	136.3	74%	0.741	76%	0.755	S	S	*	*			trans	-138.4	143.2	132.7	-102	-43.4	0	0	0	116
822	Q	29.8	Very low	28.5	Very low	163.5 Å²	163.5	137.5 Å²	137.5	76%	0.764	76%	0.759	S	S	*	*			trans	158.9	119.8	153	-72.3	-177.2	27.5	0	0	116.5	S824	Q822-S824 PolarHBondContact O-N 2.89Å; Q822-S824 VanDerWaalsContact O-N 3.09Å
823	K	28	Very low	28.5	Very low	192 Å²	192	138.2 Å²	138.2	84%	0.835	76%	0.761	S	S	*	*			trans	140.1	113.6	136.7	-124.4	165.7	-175.3	174.3	0	113.3
824	S	28.1	Very low	28.6	Very low	99 Å²	99	138.8 Å²	138.8	69%	0.692	76%	0.76	S	S	*	*			trans	72.1	115.6	139	-4.9	0	0	0	0	115.4	Q822 I826	Q822-S824 PolarHBondContact O-N 2.89Å; Q822-S824 VanDerWaalsContact O-N 3.09Å; S824-I826 PolarHBondContact O-N 2.93Å
825	T	27.5	Very low	28.8	Very low	121.75 Å²	121.75	139.2 Å²	139.2	75%	0.747	76%	0.759	S	S	*	*				88.6	133.1	128.6	-58.3	0	0	0	0	114	I827	T825-I827 PolarHBondContact O-N 3.09Å
826	I	27	Very low	28.9	Very low	144.75 Å²	144.75	139.5 Å²	139.5	74%	0.742	76%	0.756	S	S	*	*			trans	74.6	115.6	162.5	-65.5	174.4	0	0	0	115.5	S824 T828	S824-I826 PolarHBondContact O-N 2.93Å; I826-T828 PolarHBondContact O-N 3.45Å
827	I	28.8	Very low	28.9	Very low	153 Å²	153	133.7 Å²	133.7	79%	0.785	75%	0.747	S	S	*	*			trans	49.3	119	160.8	-71.7	169.3	0	0	0	112.8	T825 P829	T825-I827 PolarHBondContact O-N 3.09Å; I827-P829 VanDerWaalsContact O-CD 3.32Å; I827-P829 WeakPolarHBondContact O-CD 3.34Å
828	T	28.8	Very low	29.1	Very low	117.75 Å²	117.75	127.8 Å²	127.8	72%	0.722	74%	0.744	S	S	*	*			trans	-90.3	148.3	177.2	13.1	0	0	0	0	111.4	I826 S830	I826-T828 PolarHBondContact O-N 3.45Å; T828-S830 PolarHBondContact O-N 2.88Å
829	P	32.6	Very low	28.9	Very low	113.75 Å²	113.75	127.2 Å²	127.2	74%	0.739	74%	0.743	S	S	*	*			trans	-116.7	153.2	154.1	36.2	-28.2	0	0	0	112.9	I827 I831	I827-P829 VanDerWaalsContact O-CD 3.32Å; I827-P829 WeakPolarHBondContact O-CD 3.34Å; P829-I831 PolarHBondContact O-N 3.22Å; P829-I831 VanDerWaalsContact O-N 3.1Å
830	S	26.3	Very low	29	Very low	102.25 Å²	102.25	129.2 Å²	129.2	72%	0.715	75%	0.748	S	S	*	*			trans	4.6	115.5	146.7	5.4	0	0	0	0	115.1	T828 S832	T828-S830 PolarHBondContact O-N 2.88Å; S830-S832 PolarHBondContact O-N 3.08Å; S830-S832 VanDerWaalsContact O-N 3.13Å
831	I	29.5	Very low	29.1	Very low	159 Å²	159	129.2 Å²	129.2	82%	0.815	76%	0.755	S	S	*	*			trans	-153.1	129.1	158.4	-68.2	169.3	0	0	0	110.6	P829 L833	P829-I831 PolarHBondContact O-N 3.22Å; P829-I831 VanDerWaalsContact O-N 3.1Å; I831-L833 HydrophobicContact CG2-CG 4.48Å; I831-L833 PolarHBondContact O-N 3.29Å
832	S	28.5	Very low	29.1	Very low	101.75 Å²	101.75	126.6 Å²	126.6	71%	0.712	76%	0.76	S	S	*	*				-129.4	138.5	-112.1	-165.1	0	0	0	0	113	S830 Q834	S830-S832 PolarHBondContact O-N 3.08Å; S830-S832 VanDerWaalsContact O-N 3.13Å; S832-Q834 PolarHBondContact O-N 2.72Å
833	L	29.9	Very low	29.1	Very low	143 Å²	143	122.3 Å²	122.3	75%	0.749	76%	0.76	S	S	*	*			trans	-85.2	123.4	168	-76	146.1	0	0	0	113	I831 V835	I831-L833 HydrophobicContact CG2-CG 4.48Å; I831-L833 PolarHBondContact O-N 3.29Å; L833-V835 HydrophobicContact CD2-CB 3.83Å; L833-V835 HydrophobicContact CD2-CG2 3.59Å; L833-V835 PolarHBondContact O-N 2.76Å
834	Q	29.4	Very low	29.2	Very low	172 Å²	172	118.7 Å²	118.7	80%	0.804	76%	0.759	S	S	*	*				3.8	111	127.8	-84.6	-178.9	-48.6	0	0	114.7	S832 S836	S832-Q834 PolarHBondContact O-N 2.72Å; Q834-S836 PolarHBondContact NE2-OG 2.77Å
835	V	29.9	Very low	29.3	Very low	112.75 Å²	112.75	119 Å²	119	68%	0.683	76%	0.761	S	S	*	*				-82.5	112.6	127.8	173.6	0	0	0	0	110.9	L833 T837 E1463 S1464	L833-V835 HydrophobicContact CD2-CB 3.83Å; L833-V835 HydrophobicContact CD2-CG2 3.59Å; L833-V835 PolarHBondContact O-N 2.76Å; V835-T837 PolarHBondContact O-N 3.28Å; V835-E1463 CarbonylContact C-O 3.58Å; V835-E1463 WeakPolarHBondContact CG1-O 3.27Å; V835-S1464 CarbonylContact C-O 3.54Å; V835-S1464 VanDerWaalsContact CA-O 3.23Å; V835-S1464 WeakPolarHBondContact CA-O 3.43Å
836	S	30.1	Very low	29.6	Very low	94.75 Å²	94.75	118.1 Å²	118.1	66%	0.663	76%	0.76	S	S	*	*			trans	62.6	126.7	133.1	-56.3	0	0	0	0	113.4	Q834 A838 E1463 S1464 T1465	Q834-S836 PolarHBondContact NE2-OG 2.77Å; S836-A838 PolarHBondContact O-N 3.27Å; S836-E1463 CarbonylContact C-O 3.3Å; S836-E1463 VanDerWaalsContact CA-O 3.24Å; S836-E1463 WeakPolarHBondContact CA-O 3.36Å; S836-E1463 PolarHBondContact N-O 2.82Å; S836-S1464 CarbonylContact C-O 3.58Å; S836-S1464 PolarHBondContact N-O 3.34Å; S836-S1464 CarbonylContact O-C 3.49Å; S836-T1465 PolarHBondContact O-N 3.41Å; S836-T1465 PolarHBondContact O-OG1 3.35Å
837	T	29.4	Very low	29.7	Very low	111 Å²	111	119.3 Å²	119.3	68%	0.681	76%	0.762	S	S	*	*				-112	154.1	89.7	51.4	0	0	0	0	111.7	V835 E1463 T1465	V835-T837 PolarHBondContact O-N 3.28Å; T837-E1463 HydrophobicContact CG2-CB 3.59Å; T837-E1463 HydrophobicContact CG2-CG 3.61Å; T837-E1463 WeakPolarHBondContact CG2-OE1 3.45Å; T837-E1463 PolarHBondContact N-O 3.12Å; T837-E1463 VanDerWaalsContact OG1-CB 3.32Å; T837-E1463 WeakPolarHBondContact OG1-CB 3.39Å; T837-E1463 PolarHBondContact OG1-OE1 3.04Å; T837-T1465 WeakPolarHBondContact CG2-OG1 3.43Å
838	A	29.9	Very low	29.8	Very low	93.25 Å²	93.25	120.3 Å²	120.3	77%	0.771	76%	0.763	S	S	*	*			trans	-134.5	123.5	146.1	0	0	0	0	0	112.4	S836	S836-A838 PolarHBondContact O-N 3.27Å
839	S	27.7	Very low	29.8	Very low	108.25 Å²	108.25	118.9 Å²	118.9	76%	0.757	76%	0.763	S	S	*	*				-127.3	119.2	94.1	-74.6	0	0	0	0	111.9
840	L	29.9	Very low	29.6	Very low	171 Å²	171	120.9 Å²	120.9	90%	0.895	77%	0.767	S	S	*	*			trans	-171.8	129.2	146.2	-103.1	117.2	0	0	0	111.4
841	A	30.9	Very low	29.7	Very low	101 Å²	101	122.9 Å²	122.9	84%	0.835	77%	0.77	S	S	*	*			trans	24.3	136.1	143.4	0	0	0	0	0	117.6
842	G	28.2	Very low	29.7	Very low	83.5 Å²	83.5	123.8 Å²	123.8	86%	0.861	77%	0.77	S	S	*	*				-176.1	137.4	78.3	0	0	0	0	0	112.3
843	G	30	Very low	29.7	Very low	73.5 Å²	73.5	127.9 Å²	127.9	76%	0.758	78%	0.776	S	S	*	*				174.2	165.7	83.4	0	0	0	0	0	112.1
844	S	30.8	Very low	30.1	Very low	116.5 Å²	116.5	126.5 Å²	126.5	82%	0.815	78%	0.775	S	S	*	*			trans	-31.1	142.2	177.3	49.5	0	0	0	0	114.9
845	S	30.3	Very low	30.3	Very low	104.75 Å²	104.75	123.8 Å²	123.8	73%	0.733	77%	0.773	S	S	*	*			cis	-173.4	166	2.2	52.5	0	0	0	0	112.1
846	S	32.8	Very low	30.3	Very low	103 Å²	103	126.1 Å²	126.1	72%	0.72	78%	0.78	S	S	*	*			trans	134.6	144.4	143	44.8	0	0	0	0	114
847	Q	30.4	Very low	30.6	Very low	170.5 Å²	170.5	126.9 Å²	126.9	80%	0.797	78%	0.783	S	S	*	*				-149.7	140.2	74.9	-95.3	173.1	7.3	0	0	113.7
848	Q	30.9	Very low	30.6	Very low	173.5 Å²	173.5	130.9 Å²	130.9	81%	0.811	79%	0.791	S	S	*	*			trans	41	128.7	144.1	-68.1	172.8	-38.9	0	0	117.2
849	A	27.7	Very low	30.5	Very low	87.25 Å²	87.25	134.5 Å²	134.5	72%	0.721	79%	0.792	S	S	*	*			cis	125.1	138.2	39.6	0	0	0	0	0	113.7
850	L	28.8	Very low	30.5	Very low	156.5 Å²	156.5	133.7 Å²	133.7	82%	0.819	79%	0.787	S	S	*	*			trans	126.2	118.2	148.6	-92.7	146	0	0	0	113.8
851	N	27.7	Very low	30.5	Very low	145 Å²	145	133.6 Å²	133.6	78%	0.775	78%	0.781	S	S	*	*				146.6	124.6	118.8	-162.2	0.1	0	0	0	114.3
852	Q	30.8	Very low	30.4	Very low	176 Å²	176	137.1 Å²	137.1	82%	0.822	78%	0.781	S	S	*	*			trans	-176.2	129.2	161.1	-80.5	165.9	88.5	0	0	112.6
853	K	28.3	Very low	30.5	Very low	189.25 Å²	189.25	138.1 Å²	138.1	82%	0.823	77%	0.774	S	S	*	*			trans	162.1	138.4	133.8	-168	171.4	-176.8	169.3	0	112.8
854	P	37.3	Very low	30.6	Very low	112.75 Å²	112.75	141.9 Å²	141.9	73%	0.732	78%	0.776	S	S	*	*			trans	-89.1	-177.7	-165	20.9	-11.7	0	0	0	114.1
855	P	35.2	Very low	30.8	Very low	116 Å²	116	142 Å²	142	75%	0.753	77%	0.773	S	S	*	*				-116.8	163.3	126.7	37.7	-27.3	0	0	0	114.9
856	L	30.3	Very low	30.7	Very low	161 Å²	161	142 Å²	142	84%	0.843	77%	0.773	S	S	*	*			trans	134.5	153.4	141.3	-77.8	165.2	0	0	0	114.1
857	P	35.7	Very low	30.5	Very low	112 Å²	112	144.6 Å²	144.6	73%	0.727	78%	0.779	S	S	*	*			trans	-113	172.3	176.3	36.6	-28.2	0	0	0	115.1	Q859	P857-Q859 PolarHBondContact O-N 3.27Å
858	F	28.1	Very low	30.4	Very low	193.5 Å²	193.5	141.5 Å²	141.5	85%	0.849	78%	0.775	S	S	*	*			trans	-100	140.9	171.4	-87	-100.1	0	0	0	113.7
859	Q	29.1	Very low	30.3	Very low	169.25 Å²	169.25	139.4 Å²	139.4	79%	0.791	78%	0.775	S	S	*	*			trans	74	122.9	136.8	-93.8	-179.3	-4.5	0	0	115.6	P857	P857-Q859 PolarHBondContact O-N 3.27Å
860	S	28.1	Very low	30.4	Very low	92 Å²	92	140.1 Å²	140.1	64%	0.643	77%	0.774	S	S	*	*			trans	95.6	141.4	154.1	61	0	0	0	0	117.3
861	H	30.2	Very low	30.4	Very low	168 Å²	168	141.5 Å²	141.5	78%	0.778	78%	0.776	S	S	*	*			trans	54.6	133.5	164	-66.8	-67	0	0	0	118.4	S863	H861-S863 PolarHBondContact O-N 2.89Å
862	Q	28.2	Very low	30.5	Very low	176 Å²	176	140.8 Å²	140.8	82%	0.822	78%	0.778	S	S	*	*			trans	68.1	124.8	139.8	-74.4	-178.7	31.1	0	0	117.4
863	S	29.3	Very low	30.4	Very low	103.5 Å²	103.5	141 Å²	141	72%	0.724	78%	0.779	S	S	*	*			trans	111.6	136.7	130.1	-8.4	0	0	0	0	116.3	H861	H861-S863 PolarHBondContact O-N 2.89Å
864	I	33.4	Very low	30.6	Very low	154.5 Å²	154.5	137.6 Å²	137.6	79%	0.792	78%	0.776	S	S	*	*			trans	-55.7	152.1	162.2	-23.2	173.4	0	0	0	112.2
865	P	34	Very low	30.2	Very low	117.75 Å²	117.75	137.7 Å²	137.7	77%	0.765	78%	0.779	S	S	*	*				-125.5	159.9	110.4	35.5	-26.7	0	0	0	115.4
866	S	28.3	Very low	29.8	Very low	103.75 Å²	103.75	135.3 Å²	135.3	73%	0.726	78%	0.776	S	S	*	*			trans	-89.6	160.4	170.3	7.9	0	0	0	0	113.6	S868	S866-S868 PolarHBondContact O-N 2.92Å
867	L	28.6	Very low	29.7	Very low	159.5 Å²	159.5	137.4 Å²	137.4	84%	0.835	78%	0.778	S	S	*	*			trans	-141.7	139.5	155.6	-100.3	82.7	0	0	0	111	T869	L867-T869 PolarHBondContact O-N 3.48Å
868	S	28.4	Very low	29.5	Very low	104.5 Å²	104.5	137.5 Å²	137.5	73%	0.731	78%	0.777	S	S	*	*				88.8	141.3	115.5	6	0	0	0	0	114.2	S866 S870	S866-S868 PolarHBondContact O-N 2.92Å; S868-S870 PolarHBondContact O-N 2.86Å
869	T	28.8	Very low	29.8	Very low	129.25 Å²	129.25	133.9 Å²	133.9	79%	0.793	77%	0.773	S	S	*	*				-125.4	142.1	-94.1	31	0	0	0	0	109.5	L867	L867-T869 PolarHBondContact O-N 3.48Å
870	S	29.7	Very low	30	Very low	102.25 Å²	102.25	131 Å²	131	72%	0.715	77%	0.769	S	S	*	*			trans	-164.4	134.7	143.5	48.1	0	0	0	0	112.5	S868 T872	S868-S870 PolarHBondContact O-N 2.86Å; S870-T872 PolarHBondContact O-N 3.35Å
871	Q	29.1	Very low	30.1	Very low	184.75 Å²	184.75	132.2 Å²	132.2	86%	0.863	77%	0.774	S	S	*	*				66.6	122.1	108.6	-91.8	-179.3	8.7	0	0	114.4
872	T	30.1	Very low	30	Very low	132 Å²	132	129.9 Å²	129.9	81%	0.81	78%	0.777	S	S	*	*			trans	-123	136.2	155.8	42.4	0	0	0	0	112.8	S870	S870-T872 PolarHBondContact O-N 3.35Å
873	Q	28.9	Very low	30	Very low	179 Å²	179	126.6 Å²	126.6	84%	0.836	77%	0.773	S	S	*	*			trans	-130.9	162.1	178.5	-91.2	-166.2	-2.3	0	0	110.9	S875	Q873-S875 PolarHBondContact O-N 3Å; Q873-S875 VanDerWaalsContact O-N 3.08Å
874	P	32.9	Very low	29.8	Very low	119 Å²	119	129.1 Å²	129.1	77%	0.773	78%	0.778	S	S	*	*			trans	-110.1	147.5	142	36.4	-28.4	0	0	0	113.2	G876	P874-G876 PolarHBondContact O-N 3.12Å; P874-G876 VanDerWaalsContact O-N 3.12Å
875	S	28.6	Very low	29.5	Very low	114.25 Å²	114.25	128.9 Å²	128.9	80%	0.799	78%	0.778	S	S	*	*			trans	-69	138.3	163.7	56.3	0	0	0	0	111.4	Q873 F877	Q873-S875 PolarHBondContact O-N 3Å; Q873-S875 VanDerWaalsContact O-N 3.08Å; S875-F877 PolarHBondContact O-N 3.43Å; S875-F877 VanDerWaalsContact O-N 3.13Å
876	G	26.8	Very low	29.1	Very low	65.5 Å²	65.5	132 Å²	132	68%	0.675	78%	0.779	S	S	*	*			cis	152.4	134.8	4.6	0	0	0	0	0	110.9	P874	P874-G876 PolarHBondContact O-N 3.12Å; P874-G876 VanDerWaalsContact O-N 3.12Å
877	F	28.6	Very low	29.2	Very low	204.5 Å²	204.5	131.6 Å²	131.6	90%	0.897	78%	0.777	S	S	*	*			trans	-149.8	120.8	169.5	-104.5	-91.8	0	0	0	111.1	S875 P879	S875-F877 PolarHBondContact O-N 3.43Å; S875-F877 VanDerWaalsContact O-N 3.13Å; F877-P879 WeakPolarHBondContact O-CD 3.39Å
878	V	30.6	Very low	29.1	Very low	114 Å²	114	130.8 Å²	130.8	69%	0.691	77%	0.773	S	S	*	*				154.7	139.4	82.7	-173.4	0	0	0	0	111.9	P880	V878-P880 VanDerWaalsContact C-CD 3.46Å; V878-P880 HydrophobicContact CB-CB 3.88Å; V878-P880 HydrophobicContact CB-CG 3.78Å; V878-P880 HydrophobicContact CG1-CB 4.44Å; V878-P880 HydrophobicContact CG2-CB 4.17Å; V878-P880 HydrophobicContact CG2-CG 3.91Å; V878-P880 WeakPolarHBondContact O-CD 3.49Å
879	P	34.9	Very low	29.2	Very low	118 Å²	118	133.6 Å²	133.6	77%	0.766	78%	0.776	S	S	*	*			trans	-103.2	140.5	159.4	26.2	-12.5	0	0	0	112.3	F877	F877-P879 WeakPolarHBondContact O-CD 3.39Å
880	P	32.2	Very low	29.1	Very low	109.25 Å²	109.25	134.1 Å²	134.1	71%	0.709	78%	0.775	S	S	*	*			trans	-106.9	172.5	-165	28.3	-14.3	0	0	0	113.2	V878 S882	V878-P880 VanDerWaalsContact C-CD 3.46Å; V878-P880 HydrophobicContact CB-CB 3.88Å; V878-P880 HydrophobicContact CB-CG 3.78Å; V878-P880 HydrophobicContact CG1-CB 4.44Å; V878-P880 HydrophobicContact CG2-CB 4.17Å; V878-P880 HydrophobicContact CG2-CG 3.91Å; V878-P880 WeakPolarHBondContact O-CD 3.49Å; P880-S882 PolarHBondContact O-N 3.32Å
881	P	31.3	Very low	29	Very low	117 Å²	117	133.9 Å²	133.9	76%	0.76	77%	0.773	S	S	*	*				-114.6	161.2	-101.2	36.7	-27.7	0	0	0	114.3
882	S	28	Very low	29	Very low	119.75 Å²	119.75	131.3 Å²	131.3	84%	0.837	77%	0.77	S	S	*	*			trans	-5.5	130.9	157.3	-48.9	0	0	0	0	116.5	P880	P880-S882 PolarHBondContact O-N 3.32Å
883	S	27.2	Very low	29.2	Very low	106.25 Å²	106.25	133.1 Å²	133.1	74%	0.743	77%	0.769	S	S	*	*			trans	-117.5	131.6	167.9	55.7	0	0	0	0	111.7	L885	S883-L885 PolarHBondContact O-N 3.33Å
884	L	25.3	Very low	29.3	Very low	155.5 Å²	155.5	130.5 Å²	130.5	81%	0.814	76%	0.76	S	S	*	*				57.6	125.2	121.9	-90.6	142.3	0	0	0	114.5
885	L	28.2	Very low	29.5	Very low	151.75 Å²	151.75	131.2 Å²	131.2	80%	0.795	76%	0.757	S	S	*	*			trans	145.5	136.8	158	-58.9	156.7	0	0	0	112.6	S883	S883-L885 PolarHBondContact O-N 3.33Å
886	K	25.6	Very low	29.9	Very low	181.5 Å²	181.5	131.6 Å²	131.6	79%	0.789	75%	0.75	S	S	*	*				126.3	145.4	78.9	-113.7	178.8	177.2	-174.2	0	112.5
887	S	28.8	Very low	30.5	Very low	96.75 Å²	96.75	134.4 Å²	134.4	68%	0.677	75%	0.749	S	S	*	*			trans	134.7	142.4	153.9	49.6	0	0	0	0	113
888	D	26.8	Very low	31.2	Very low	142 Å²	142	128.7 Å²	128.7	76%	0.759	73%	0.728	S	S	*	*			cis	-145.3	161.7	3	-85.3	-55	0	0	0	110
889	M	30.7	Very low	31.9	Very low	162.75 Å²	162.75	127.4 Å²	127.4	80%	0.802	72%	0.72	S	S	*	*			trans	-155.5	130.1	164.4	-83.4	-92.2	94.3	0	0	112.9
890	D	27.4	Very low	32.4	Very low	141.25 Å²	141.25	127 Å²	127	76%	0.755	71%	0.711	S	S	*	*			trans	-77.9	140	152.3	-89.5	-47.1	0	0	0	115.2
891	S	26.9	Very low	33.1	Very low	98 Å²	98	124 Å²	124	69%	0.685	70%	0.695	S	S	*	*			trans	-147.5	133	164.8	61.7	0	0	0	0	115.6
892	T	30	Very low	33.7	Very low	128.75 Å²	128.75	125.5 Å²	125.5	79%	0.79	69%	0.686	S	S	*	*			trans	-155.5	92.6	157.9	49.7	0	0	0	0	115.5	L894	T892-L894 VanDerWaalsContact C-N 3.35Å; T892-L894 PolarHBondContact O-N 3.29Å; T892-L894 VanDerWaalsContact O-N 3.12Å
893	H	33.3	Very low	34.4	Very low	171.25 Å²	171.25	122.8 Å²	122.8	79%	0.793	67%	0.667	S	S	*	*			trans	-133.3	62.4	163.6	-121.5	-96.2	0	0	0	116.4
894	L	31.6	Very low	35.3	Very low	124.5 Å²	124.5	120.4 Å²	120.4	65%	0.652	65%	0.653	S	S	*	*			trans	-127.9	54.1	174.4	-92.3	147.9	0	0	0	115.4	T892 N896 L897 D898	T892-L894 VanDerWaalsContact C-N 3.35Å; T892-L894 PolarHBondContact O-N 3.29Å; T892-L894 VanDerWaalsContact O-N 3.12Å; L894-N896 VanDerWaalsContact C-N 3.3Å; L894-N896 PolarHBondContact O-N 3Å; L894-L897 HydrophobicContact CD1-CD2 3.94Å; L894-L897 HydrophobicContact CG-CB 4.48Å; L894-L897 HydrophobicContact CG-CD2 4.47Å; L894-L897 PolarHBondContact O-N 3.12Å; L894-D898 PolarHBondContact O-N 3.37Å
895	N	36.5	Very low	36.6	Very low	132.75 Å²	132.75	118.8 Å²	118.8	71%	0.71	64%	0.643	S	S	*	*	H	α-helix	trans	-98	-5.7	169.2	-75.1	-16.4	0	0	0	116	L897 D898 T899	N895-L897 PolarHBondContact O-N 3.09Å; N895-D898 PolarHBondContact O-N 2.82Å; N895-T899 WeakPolarHBondContact O-CB 3.15Å; N895-T899 PolarHBondContact O-N 2.97Å; N895-T899 VanDerWaalsContact O-N 3.16Å; N895-T899 PolarHBondContact O-OG1 3.42Å
896	N	37.7	Very low	37.7	Very low	122.25 Å²	122.25	116.5 Å²	116.5	65%	0.654	63%	0.631	S	S	*	*	H	α-helix	trans	-68.3	-23.6	168.8	-82.8	-20.5	0	0	0	111.7	L894 D898 T899 I900	L894-N896 VanDerWaalsContact C-N 3.3Å; L894-N896 PolarHBondContact O-N 3Å; N896-D898 PolarHBondContact O-N 2.82Å; N896-T899 PolarHBondContact O-N 3.07Å; N896-I900 WeakPolarHBondContact O-CB 3.28Å; N896-I900 VanDerWaalsContact O-CG1 3.27Å; N896-I900 WeakPolarHBondContact O-CG1 3.44Å; N896-I900 PolarHBondContact O-N 3.04Å
897	L	38.2	Very low	38.6	Very low	124.25 Å²	124.25	113.2 Å²	113.2	65%	0.651	62%	0.621	S	S	*	*	H	α-helix	trans	-82.6	-26.1	176.5	-157.7	70.4	0	0	0	112.7	L894 N895 T899 I900 A901	L894-L897 HydrophobicContact CD1-CD2 3.94Å; L894-L897 HydrophobicContact CG-CB 4.48Å; L894-L897 HydrophobicContact CG-CD2 4.47Å; L894-L897 PolarHBondContact O-N 3.12Å; N895-L897 PolarHBondContact O-N 3.09Å; L897-T899 VanDerWaalsContact C-N 3.29Å; L897-T899 PolarHBondContact O-N 3.1Å; L897-I900 PolarHBondContact O-N 3.36Å; L897-A901 WeakPolarHBondContact O-CA 3.31Å; L897-A901 VanDerWaalsContact O-CB 3.28Å; L897-A901 WeakPolarHBondContact O-CB 3.33Å; L897-A901 PolarHBondContact O-N 3.13Å
898	D	43.2	Very low	39.4	Very low	85.25 Å²	85.25	114.2 Å²	114.2	46%	0.456	62%	0.615	S	S	.	*	H	α-helix	trans	-81.2	-21.6	179.6	-148.9	44.6	0	0	0	112.9	L894 N895 N896 A901 R902	L894-D898 PolarHBondContact O-N 3.37Å; N895-D898 PolarHBondContact O-N 2.82Å; N896-D898 PolarHBondContact O-N 2.82Å; D898-A901 PolarHBondContact O-N 3.25Å; D898-R902 VanDerWaalsContact O-CB 3.26Å; D898-R902 WeakPolarHBondContact O-CB 3.45Å; D898-R902 VanDerWaalsContact O-CG 3.29Å; D898-R902 WeakPolarHBondContact O-CG 3.35Å; D898-R902 PolarHBondContact O-N 3.3Å; D898-R902 PolarHBondContact O-NE 2.93Å; D898-R902 VanDerWaalsContact O-NE 3.1Å; D898-R902 PolarHBondContact O-NH2 3.48Å; D898-R902 IonicContact OD1-NE 3.69Å; D898-R902 IonicContact OD2-CZ 2.95Å; D898-R902 IonicContact OD2-NE 3.53Å; D898-R902 PolarHBondContact OD2-NE 3.04Å; D898-R902 IonicContact OD2-NH2 2.98Å; D898-R902 PolarHBondContact OD2-NH2 3.17Å
899	T	47	Very low	40.4	Very low	86.5 Å²	86.5	113.6 Å²	113.6	53%	0.531	61%	0.607	S	S	.	*	H	α-helix	trans	-74.7	-40.2	171.2	-58.1	0	0	0	0	111.5	N895 N896 L897 A901 R902 S903	N895-T899 WeakPolarHBondContact O-CB 3.15Å; N895-T899 PolarHBondContact O-N 2.97Å; N895-T899 VanDerWaalsContact O-N 3.16Å; N895-T899 PolarHBondContact O-OG1 3.42Å; N896-T899 PolarHBondContact O-N 3.07Å; L897-T899 VanDerWaalsContact C-N 3.29Å; L897-T899 PolarHBondContact O-N 3.1Å; T899-A901 PolarHBondContact O-N 3.08Å; T899-R902 PolarHBondContact O-N 3.14Å; T899-S903 WeakPolarHBondContact O-CB 3.43Å; T899-S903 PolarHBondContact O-N 3.03Å; T899-S903 PolarHBondContact O-OG 3.25Å
900	I	43.7	Very low	41.1	Very low	110.5 Å²	110.5	110.3 Å²	110.3	57%	0.567	60%	0.596	S	S	*	*	H	α-helix	trans	-67.1	-40.8	176.9	-67.1	168.1	0	0	0	110.8	N896 L897 R902 S903 A904	N896-I900 WeakPolarHBondContact O-CB 3.28Å; N896-I900 VanDerWaalsContact O-CG1 3.27Å; N896-I900 WeakPolarHBondContact O-CG1 3.44Å; N896-I900 PolarHBondContact O-N 3.04Å; L897-I900 PolarHBondContact O-N 3.36Å; I900-R902 PolarHBondContact O-N 3Å; I900-S903 WeakPolarHBondContact CA-OG 3.32Å; I900-S903 CarbonylContact O-C 3.59Å; I900-S903 WeakPolarHBondContact O-CB 3.32Å; I900-S903 PolarHBondContact O-N 3.16Å; I900-S903 PolarHBondContact O-OG 3.23Å; I900-S903 VanDerWaalsContact O-OG 3.14Å; I900-A904 VanDerWaalsContact O-CB 3.29Å; I900-A904 WeakPolarHBondContact O-CB 3.44Å; I900-A904 PolarHBondContact O-N 3.15Å
901	A	47.4	Very low	41.6	Very low	46.5 Å²	46.5	109.3 Å²	109.3	38%	0.384	59%	0.59	S	S	.	*	H	α-helix	trans	-65	-38.6	177.2	0	0	0	0	0	112.6	L897 D898 T899 S903 A904 M905	L897-A901 WeakPolarHBondContact O-CA 3.31Å; L897-A901 VanDerWaalsContact O-CB 3.28Å; L897-A901 WeakPolarHBondContact O-CB 3.33Å; L897-A901 PolarHBondContact O-N 3.13Å; D898-A901 PolarHBondContact O-N 3.25Å; T899-A901 PolarHBondContact O-N 3.08Å; A901-S903 PolarHBondContact O-N 3.43Å; A901-A904 PolarHBondContact O-N 3.15Å; A901-M905 VanDerWaalsContact O-CB 3.25Å; A901-M905 WeakPolarHBondContact O-CB 3.39Å; A901-M905 VanDerWaalsContact O-CG 3.3Å; A901-M905 WeakPolarHBondContact O-CG 3.38Å; A901-M905 PolarHBondContact O-N 3.05Å
902	R	44.2	Very low	42.3	Very low	147.75 Å²	147.75	111.1 Å²	111.1	56%	0.558	59%	0.588	S	S	*	*	H	α-helix	trans	-68.2	-39.9	174.6	-75.9	177.2	-121.5	-176.5	-0.8	112.2	D898 T899 I900 A904 M905 I906	D898-R902 VanDerWaalsContact O-CB 3.26Å; D898-R902 WeakPolarHBondContact O-CB 3.45Å; D898-R902 VanDerWaalsContact O-CG 3.29Å; D898-R902 WeakPolarHBondContact O-CG 3.35Å; D898-R902 PolarHBondContact O-N 3.3Å; D898-R902 PolarHBondContact O-NE 2.93Å; D898-R902 VanDerWaalsContact O-NE 3.1Å; D898-R902 PolarHBondContact O-NH2 3.48Å; D898-R902 IonicContact OD1-NE 3.69Å; D898-R902 IonicContact OD2-CZ 2.95Å; D898-R902 IonicContact OD2-NE 3.53Å; D898-R902 PolarHBondContact OD2-NE 3.04Å; D898-R902 IonicContact OD2-NH2 2.98Å; D898-R902 PolarHBondContact OD2-NH2 3.17Å; T899-R902 PolarHBondContact O-N 3.14Å; I900-R902 PolarHBondContact O-N 3Å; R902-A904 VanDerWaalsContact C-N 3.32Å; R902-A904 PolarHBondContact O-N 3.1Å; R902-M905 PolarHBondContact O-N 2.97Å; R902-I906 VanDerWaalsContact O-CB 3.29Å; R902-I906 WeakPolarHBondContact O-CB 3.17Å; R902-I906 WeakPolarHBondContact O-CD1 3.35Å; R902-I906 VanDerWaalsContact O-CG1 3.3Å; R902-I906 WeakPolarHBondContact O-CG1 3.44Å; R902-I906 PolarHBondContact O-N 3.24Å
903	S	42.9	Very low	42.5	Very low	62.75 Å²	62.75	107.8 Å²	107.8	44%	0.439	58%	0.579	S	S	.	*	H	α-helix	trans	-64.6	-33.2	174.2	28.5	0	0	0	0	112.9	T899 I900 A901 I906 L907	T899-S903 WeakPolarHBondContact O-CB 3.43Å; T899-S903 PolarHBondContact O-N 3.03Å; T899-S903 PolarHBondContact O-OG 3.25Å; I900-S903 WeakPolarHBondContact CA-OG 3.32Å; I900-S903 CarbonylContact O-C 3.59Å; I900-S903 WeakPolarHBondContact O-CB 3.32Å; I900-S903 PolarHBondContact O-N 3.16Å; I900-S903 PolarHBondContact O-OG 3.23Å; I900-S903 VanDerWaalsContact O-OG 3.14Å; A901-S903 PolarHBondContact O-N 3.43Å; S903-I906 PolarHBondContact O-N 2.96Å; S903-L907 VanDerWaalsContact O-CB 3.32Å; S903-L907 WeakPolarHBondContact O-CB 3.38Å; S903-L907 WeakPolarHBondContact O-CG 3.47Å; S903-L907 PolarHBondContact O-N 3.09Å
904	A	45.5	Very low	42.5	Very low	55.25 Å²	55.25	105.7 Å²	105.7	46%	0.457	57%	0.573	S	S	.	*	H	α-helix	trans	-71.1	-41.9	175.5	0	0	0	0	0	112.6	I900 A901 R902 L907 Q908	I900-A904 VanDerWaalsContact O-CB 3.29Å; I900-A904 WeakPolarHBondContact O-CB 3.44Å; I900-A904 PolarHBondContact O-N 3.15Å; A901-A904 PolarHBondContact O-N 3.15Å; R902-A904 VanDerWaalsContact C-N 3.32Å; R902-A904 PolarHBondContact O-N 3.1Å; A904-L907 WeakPolarHBondContact O-CB 3.46Å; A904-L907 PolarHBondContact O-N 2.94Å; A904-Q908 WeakPolarHBondContact O-CB 3.47Å; A904-Q908 PolarHBondContact O-N 2.97Å
905	M	52	Low	42.4	Very low	122.25 Å²	122.25	105.5 Å²	105.5	60%	0.602	58%	0.577	S	S	*	*	H	α-helix	trans	-68.4	-36.7	176.8	-74.2	-166.2	3.8	0	0	112.7	A901 R902 L907 Q908 Q909	A901-M905 VanDerWaalsContact O-CB 3.25Å; A901-M905 WeakPolarHBondContact O-CB 3.39Å; A901-M905 VanDerWaalsContact O-CG 3.3Å; A901-M905 WeakPolarHBondContact O-CG 3.38Å; A901-M905 PolarHBondContact O-N 3.05Å; R902-M905 PolarHBondContact O-N 2.97Å; M905-L907 VanDerWaalsContact C-N 3.3Å; M905-L907 PolarHBondContact O-N 2.98Å; M905-Q908 CarbonylContact O-C 3.55Å; M905-Q908 PolarHBondContact O-N 3.1Å; M905-Q908 VanDerWaalsContact O-N 3.11Å; M905-Q909 VanDerWaalsContact O-CB 3.23Å; M905-Q909 WeakPolarHBondContact O-CB 3.37Å; M905-Q909 VanDerWaalsContact O-CG 3.27Å; M905-Q909 WeakPolarHBondContact O-CG 3.47Å; M905-Q909 PolarHBondContact O-N 3.18Å
906	I	52.7	Low	42.1	Very low	104 Å²	104	104.5 Å²	104.5	53%	0.533	58%	0.58	S	S	.	*	H	α-helix	trans	-64.8	-43	175.6	-69.9	166.2	0	0	0	110.3	R902 S903 Q908 Q909 V910	R902-I906 VanDerWaalsContact O-CB 3.29Å; R902-I906 WeakPolarHBondContact O-CB 3.17Å; R902-I906 WeakPolarHBondContact O-CD1 3.35Å; R902-I906 VanDerWaalsContact O-CG1 3.3Å; R902-I906 WeakPolarHBondContact O-CG1 3.44Å; R902-I906 PolarHBondContact O-N 3.24Å; S903-I906 PolarHBondContact O-N 2.96Å; I906-Q908 VanDerWaalsContact C-N 3.29Å; I906-Q908 PolarHBondContact O-N 3.15Å; I906-Q909 PolarHBondContact O-N 3.22Å; I906-V910 HydrophobicContact CG2-CG2 4.37Å; I906-V910 WeakPolarHBondContact O-CB 3.48Å; I906-V910 VanDerWaalsContact O-CG2 3.24Å; I906-V910 WeakPolarHBondContact O-CG2 3.39Å; I906-V910 PolarHBondContact O-N 3.06Å
907	L	43.6	Very low	41.7	Very low	111.5 Å²	111.5	104.8 Å²	104.8	58%	0.584	59%	0.586	S	S	*	*	H	α-helix	trans	-62	-35.7	174.2	-104.5	160.9	0	0	0	112.2	S903 A904 M905 Q909 V910 L911	S903-L907 VanDerWaalsContact O-CB 3.32Å; S903-L907 WeakPolarHBondContact O-CB 3.38Å; S903-L907 WeakPolarHBondContact O-CG 3.47Å; S903-L907 PolarHBondContact O-N 3.09Å; A904-L907 WeakPolarHBondContact O-CB 3.46Å; A904-L907 PolarHBondContact O-N 2.94Å; M905-L907 VanDerWaalsContact C-N 3.3Å; M905-L907 PolarHBondContact O-N 2.98Å; L907-Q909 VanDerWaalsContact C-N 3.34Å; L907-Q909 PolarHBondContact O-N 3.35Å; L907-V910 PolarHBondContact O-N 3.07Å; L907-L911 HydrophobicContact CD2-CD1 3.81Å; L907-L911 HydrophobicContact CD2-CG 4.29Å; L907-L911 VanDerWaalsContact O-CB 3.26Å; L907-L911 WeakPolarHBondContact O-CB 3.31Å; L907-L911 WeakPolarHBondContact O-CD1 3.38Å; L907-L911 WeakPolarHBondContact O-CG 3.36Å; L907-L911 PolarHBondContact O-N 3.27Å; L907-L911 VanDerWaalsContact O-N 3.07Å
908	Q	46.5	Very low	41.1	Very low	117.25 Å²	117.25	104.5 Å²	104.5	55%	0.548	60%	0.595	S	S	.	*	H	α-helix	trans	-74.6	-31.2	178.1	-159.9	117	60.6	0	0	112.8	A904 M905 I906 Q912	A904-Q908 WeakPolarHBondContact O-CB 3.47Å; A904-Q908 PolarHBondContact O-N 2.97Å; M905-Q908 CarbonylContact O-C 3.55Å; M905-Q908 PolarHBondContact O-N 3.1Å; M905-Q908 VanDerWaalsContact O-N 3.11Å; I906-Q908 VanDerWaalsContact C-N 3.29Å; I906-Q908 PolarHBondContact O-N 3.15Å; Q908-Q912 HydrophobicContact CG-CG 4.5Å; Q908-Q912 WeakPolarHBondContact O-CB 3.39Å; Q908-Q912 VanDerWaalsContact O-CG 3.29Å; Q908-Q912 WeakPolarHBondContact O-CG 3.31Å; Q908-Q912 PolarHBondContact O-N 3.25Å; Q908-Q912 VanDerWaalsContact O-N 3.12Å; Q908-Q912 PolarHBondContact O-NE2 3.3Å
909	Q	48.1	Very low	40.4	Very low	130 Å²	130	107.8 Å²	107.8	61%	0.607	61%	0.611	S	S	*	*	H	α-helix	trans	-74.3	-36.3	173.6	-75	178.3	-15.3	0	0	112.3	M905 I906 L907 L911 Q912 G913 I914	M905-Q909 VanDerWaalsContact O-CB 3.23Å; M905-Q909 WeakPolarHBondContact O-CB 3.37Å; M905-Q909 VanDerWaalsContact O-CG 3.27Å; M905-Q909 WeakPolarHBondContact O-CG 3.47Å; M905-Q909 PolarHBondContact O-N 3.18Å; I906-Q909 PolarHBondContact O-N 3.22Å; L907-Q909 VanDerWaalsContact C-N 3.34Å; L907-Q909 PolarHBondContact O-N 3.35Å; Q909-L911 VanDerWaalsContact C-N 3.3Å; Q909-L911 PolarHBondContact O-N 3.16Å; Q909-Q912 CarbonylContact O-C 3.53Å; Q909-Q912 PolarHBondContact O-N 2.9Å; Q909-G913 PolarHBondContact O-N 3.13Å; Q909-I914 PolarHBondContact O-N 2.86Å; Q909-I914 VanDerWaalsContact O-N 3.1Å
910	V	44.6	Very low	39.5	Very low	93.5 Å²	93.5	108 Å²	108	57%	0.567	62%	0.621	S	S	*	*	H	α-helix	trans	-65.4	-39.5	173.2	170.7	0	0	0	0	111.1	I906 L907 Q912 G913 I914	I906-V910 HydrophobicContact CG2-CG2 4.37Å; I906-V910 WeakPolarHBondContact O-CB 3.48Å; I906-V910 VanDerWaalsContact O-CG2 3.24Å; I906-V910 WeakPolarHBondContact O-CG2 3.39Å; I906-V910 PolarHBondContact O-N 3.06Å; L907-V910 PolarHBondContact O-N 3.07Å; V910-Q912 VanDerWaalsContact C-N 3.32Å; V910-Q912 PolarHBondContact O-N 2.99Å; V910-G913 PolarHBondContact O-N 2.87Å; V910-G913 VanDerWaalsContact O-N 3.09Å; V910-I914 HydrophobicContact CG1-CD1 3.95Å; V910-I914 WeakPolarHBondContact O-CG1 3.33Å; V910-I914 PolarHBondContact O-N 2.89Å
911	L	37.9	Very low	38.7	Very low	119.75 Å²	119.75	110.1 Å²	110.1	63%	0.627	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-18.2	177.5	-78.8	149.1	0	0	0	113.9	L907 Q909 G913	L907-L911 HydrophobicContact CD2-CD1 3.81Å; L907-L911 HydrophobicContact CD2-CG 4.29Å; L907-L911 VanDerWaalsContact O-CB 3.26Å; L907-L911 WeakPolarHBondContact O-CB 3.31Å; L907-L911 WeakPolarHBondContact O-CD1 3.38Å; L907-L911 WeakPolarHBondContact O-CG 3.36Å; L907-L911 PolarHBondContact O-N 3.27Å; L907-L911 VanDerWaalsContact O-N 3.07Å; Q909-L911 VanDerWaalsContact C-N 3.3Å; Q909-L911 PolarHBondContact O-N 3.16Å; L911-G913 PolarHBondContact O-N 3.32Å
912	Q	40.8	Very low	37.8	Very low	136 Å²	136	113.5 Å²	113.5	64%	0.636	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-6.9	172	-70.1	179.4	19.4	0	0	113.1	Q908 Q909 V910 I914 T915	Q908-Q912 HydrophobicContact CG-CG 4.5Å; Q908-Q912 WeakPolarHBondContact O-CB 3.39Å; Q908-Q912 VanDerWaalsContact O-CG 3.29Å; Q908-Q912 WeakPolarHBondContact O-CG 3.31Å; Q908-Q912 PolarHBondContact O-N 3.25Å; Q908-Q912 VanDerWaalsContact O-N 3.12Å; Q908-Q912 PolarHBondContact O-NE2 3.3Å; Q909-Q912 CarbonylContact O-C 3.53Å; Q909-Q912 PolarHBondContact O-N 2.9Å; V910-Q912 VanDerWaalsContact C-N 3.32Å; V910-Q912 PolarHBondContact O-N 2.99Å; Q912-I914 VanDerWaalsContact C-N 3.28Å; Q912-I914 HydrophobicContact CB-CD1 3.99Å; Q912-I914 HydrophobicContact CB-CG1 3.87Å; Q912-I914 WeakPolarHBondContact O-CG1 3.48Å; Q912-I914 PolarHBondContact O-N 3.1Å; Q912-T915 PolarHBondContact O-OG1 2.91Å
913	G	34.4	Very low	37.1	Very low	59.5 Å²	59.5	112.2 Å²	112.2	61%	0.613	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-4	179.4	0	0	0	0	0	115.3	Q909 V910 L911 T915	Q909-G913 PolarHBondContact O-N 3.13Å; V910-G913 PolarHBondContact O-N 2.87Å; V910-G913 VanDerWaalsContact O-N 3.09Å; L911-G913 PolarHBondContact O-N 3.32Å; G913-T915 VanDerWaalsContact C-N 3.34Å; G913-T915 PolarHBondContact O-N 3.23Å
914	I	32.8	Very low	36.4	Very low	128 Å²	128	115.5 Å²	115.5	66%	0.656	68%	0.683	S	S	*	*			trans	-101.9	31.8	-174.1	-42.8	173.8	0	0	0	112.1	Q909 V910 Q912 S916	Q909-I914 PolarHBondContact O-N 2.86Å; Q909-I914 VanDerWaalsContact O-N 3.1Å; V910-I914 HydrophobicContact CG1-CD1 3.95Å; V910-I914 WeakPolarHBondContact O-CG1 3.33Å; V910-I914 PolarHBondContact O-N 2.89Å; Q912-I914 VanDerWaalsContact C-N 3.28Å; Q912-I914 HydrophobicContact CB-CD1 3.99Å; Q912-I914 HydrophobicContact CB-CG1 3.87Å; Q912-I914 WeakPolarHBondContact O-CG1 3.48Å; Q912-I914 PolarHBondContact O-N 3.1Å; I914-S916 VanDerWaalsContact C-N 3.29Å; I914-S916 PolarHBondContact O-N 2.69Å
915	T	30.6	Very low	35.5	Very low	120.5 Å²	120.5	118 Å²	118	74%	0.739	70%	0.696	S	S	*	*			trans	-100.4	88.7	175.7	53.9	0	0	0	0	112.9	Q912 G913	Q912-T915 PolarHBondContact O-OG1 2.91Å; G913-T915 VanDerWaalsContact C-N 3.34Å; G913-T915 PolarHBondContact O-N 3.23Å
916	S	29.9	Very low	34.2	Very low	111.25 Å²	111.25	118 Å²	118	78%	0.778	70%	0.704	S	S	*	*			trans	-164.3	114	166.9	-70.7	0	0	0	0	114.7	I914	I914-S916 VanDerWaalsContact C-N 3.29Å; I914-S916 PolarHBondContact O-N 2.69Å
917	T	28.7	Very low	33	Very low	127.75 Å²	127.75	119.1 Å²	119.1	78%	0.784	72%	0.715	S	S	*	*			trans	-108.5	119.7	169.5	46.8	0	0	0	0	114.6	I919	T917-I919 PolarHBondContact O-N 2.84Å; T917-I919 VanDerWaalsContact O-N 3.13Å
918	S	26.2	Very low	32.2	Very low	117.75 Å²	117.75	121.8 Å²	121.8	82%	0.823	73%	0.725	S	S	*	*			trans	30.2	113	152	-172	0	0	0	0	116
919	I	28.7	Very low	31.3	Very low	156.5 Å²	156.5	120.8 Å²	120.8	80%	0.803	73%	0.731	S	S	*	*			trans	-132.8	130	150.9	-80.6	163	0	0	0	108.2	T917 N921	T917-I919 PolarHBondContact O-N 2.84Å; T917-I919 VanDerWaalsContact O-N 3.13Å; I919-N921 PolarHBondContact O-N 2.96Å
920	A	28.1	Very low	30.3	Very low	89 Å²	89	123.3 Å²	123.3	74%	0.736	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-96.6	134.3	178.7	0	0	0	0	0	111.5	P922	A920-P922 WeakPolarHBondContact O-CD 3.29Å
921	N	26.8	Very low	29.5	Very low	155.25 Å²	155.25	125.9 Å²	125.9	83%	0.83	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-66.8	145.7	175.8	-68.4	-29.1	0	0	0	111.8	I919	I919-N921 PolarHBondContact O-N 2.96Å
922	P	29.4	Very low	28.9	Very low	118 Å²	118	126.9 Å²	126.9	77%	0.766	76%	0.756	S	S	*	*			trans	-108.2	156.8	167.1	35.1	-29.3	0	0	0	112.5	A920 V924	A920-P922 WeakPolarHBondContact O-CD 3.29Å; P922-V924 PolarHBondContact O-N 3.35Å
923	S	27.6	Very low	28.4	Very low	120.25 Å²	120.25	125.1 Å²	125.1	84%	0.841	76%	0.758	S	S	*	*			trans	-100.5	121.8	175.3	52.9	0	0	0	0	114.2
924	V	28.4	Very low	28.1	Very low	133.25 Å²	133.25	130.4 Å²	130.4	81%	0.808	77%	0.767	S	S	*	*			trans	-73.6	124	165.8	-176.5	0	0	0	0	113.8	P922	P922-V924 PolarHBondContact O-N 3.35Å
925	S	27.1	Very low	28	Very low	105.75 Å²	105.75	129.8 Å²	129.8	74%	0.74	77%	0.77	S	S	*	*			trans	-128.6	126.4	156.2	-12.5	0	0	0	0	112.9	T927	S925-T927 PolarHBondContact O-N 3.31Å
926	T	26.2	Very low	27.9	Very low	123.25 Å²	123.25	133 Å²	133	76%	0.756	78%	0.776	S	S	*	*			trans	-35.5	138	145.1	49.4	0	0	0	0	113.6
927	T	26.9	Very low	27.8	Very low	126.5 Å²	126.5	131 Å²	131	78%	0.776	77%	0.773	S	S	*	*				-161.1	138.6	78.9	-10.2	0	0	0	0	110.5	S925 S929	S925-T927 PolarHBondContact O-N 3.31Å; T927-S929 PolarHBondContact O-N 3.16Å
928	E	27.5	Very low	27.8	Very low	169.5 Å²	169.5	129.4 Å²	129.4	79%	0.792	77%	0.773	S	S	*	*			trans	-100.8	153	163.9	-70.5	-159.4	166.5	0	0	114.9	F930	E928-F930 PolarHBondContact O-N 3.02Å
929	S	27	Very low	27.9	Very low	95.75 Å²	95.75	130.2 Å²	130.2	67%	0.67	77%	0.768	S	S	*	*			trans	-131.4	133.5	-169.8	51.1	0	0	0	0	114	T927 L931	T927-S929 PolarHBondContact O-N 3.16Å; S929-L931 PolarHBondContact O-N 3.35Å
930	F	25.9	Very low	28	Very low	182.75 Å²	182.75	130.7 Å²	130.7	80%	0.802	77%	0.767	S	S	*	*			trans	27.3	133	157.5	-74.5	-96.2	0	0	0	119.4	E928	E928-F930 PolarHBondContact O-N 3.02Å
931	L	28	Very low	28	Very low	148 Å²	148	132.4 Å²	132.4	78%	0.775	76%	0.764	S	S	*	*			trans	167.8	121.9	147.2	-91.8	166.4	0	0	0	114.6	S929	S929-L931 PolarHBondContact O-N 3.35Å
932	N	26.5	Very low	28.2	Very low	139.5 Å²	139.5	133.4 Å²	133.4	75%	0.746	76%	0.763	S	S	*	*			trans	53.2	150.1	152.8	-86.9	-1	0	0	0	116.9
933	S	30.3	Very low	28.6	Very low	98.25 Å²	98.25	132.9 Å²	132.9	69%	0.687	76%	0.76	S	S	*	*				-160.3	145.3	85.3	29.3	0	0	0	0	112.8
934	Q	27.5	Very low	28.6	Very low	171.75 Å²	171.75	133.3 Å²	133.3	80%	0.803	76%	0.757	S	S	*	*			trans	-130.6	142.1	-175.2	-130.7	179.5	1.5	0	0	112.9
935	T	30.1	Very low	28.5	Very low	115.25 Å²	115.25	133.8 Å²	133.8	71%	0.707	76%	0.755	S	S	*	*			trans	119.5	152.6	136.4	32.5	0	0	0	0	116.2
936	E	28.2	Very low	28.5	Very low	187 Å²	187	133.5 Å²	133.5	87%	0.874	75%	0.753	S	S	*	*				-146.3	164.2	119.4	-87.8	159.9	143.9	0	0	115.2
937	G	29.5	Very low	28.5	Very low	69 Å²	69	133.3 Å²	133.3	71%	0.711	75%	0.751	S	S	*	*			trans	144	119.6	169.9	0	0	0	0	0	115.3
938	A	29	Very low	28.6	Very low	95.5 Å²	95.5	137.1 Å²	137.1	79%	0.789	76%	0.757	S	S	*	*				74.5	141.7	117.8	0	0	0	0	0	113.2
939	N	27.4	Very low	28.6	Very low	133.75 Å²	133.75	133 Å²	133	72%	0.715	75%	0.752	S	S	*	*				93.2	115.4	102.5	-115.6	-21.4	0	0	0	116.4	N941	N939-N941 PolarHBondContact O-ND2 2.78Å
940	Q	30.3	Very low	29.4	Very low	167.25 Å²	167.25	134 Å²	134	78%	0.782	76%	0.756	S	S	*	*			trans	90.1	138.8	137.3	-72.8	175.3	43.8	0	0	118.3
941	N	28.9	Very low	29.8	Very low	124.75 Å²	124.75	130.4 Å²	130.4	67%	0.667	75%	0.751	S	S	*	*			trans	-150.8	140.3	172.4	-74.4	-41.5	0	0	0	114.3	N939	N939-N941 PolarHBondContact O-ND2 2.78Å
942	H	29.6	Very low	29.8	Very low	177 Å²	177	130.6 Å²	130.6	82%	0.819	75%	0.752	S	S	*	*				-165.4	163.8	105.2	-94.6	-63.7	0	0	0	112.6
943	P	38.4	Very low	29.8	Very low	106.5 Å²	106.5	129.1 Å²	129.1	69%	0.692	75%	0.752	S	S	*	*			trans	-116.8	-177.5	-142.1	40.1	-28.3	0	0	0	114.5
944	V	28.5	Very low	29.8	Very low	128.75 Å²	128.75	129.1 Å²	129.1	78%	0.78	75%	0.752	S	S	*	*			trans	119.7	130.4	160.1	-140.1	0	0	0	0	118.7
945	N	25.6	Very low	29.9	Very low	144.5 Å²	144.5	127.7 Å²	127.7	77%	0.773	75%	0.75	S	S	*	*			trans	47.4	147.3	149.2	-66.9	-11.2	0	0	0	120.2
946	S	28	Very low	29.8	Very low	98.5 Å²	98.5	128.9 Å²	128.9	69%	0.689	75%	0.752	S	S	*	*			cis	-169.1	142.5	48.5	78.8	0	0	0	0	111.2
947	V	25.3	Very low	29.8	Very low	120.25 Å²	120.25	128.4 Å²	128.4	73%	0.729	75%	0.75	S	S	*	*			trans	59	136.4	143.9	-174.4	0	0	0	0	114.8
948	F	28.8	Very low	29.7	Very low	206 Å²	206	130.1 Å²	130.1	90%	0.904	75%	0.751	S	S	*	*			trans	-159.5	153.8	138	-97.6	-79.7	0	0	0	113.6
949	A	28	Very low	29.6	Very low	82 Å²	82	133.3 Å²	133.3	68%	0.678	75%	0.751	S	S	*	*			trans	-147.3	179	-164.5	0	0	0	0	0	110
950	P	43.2	Very low	29.8	Very low	117.5 Å²	117.5	133.9 Å²	133.9	76%	0.763	75%	0.753	S	S	*	*				-113.9	-158.7	-87.7	32.2	-19.8	0	0	0	115.7
951	P	34.2	Very low	29.7	Very low	107 Å²	107	132.7 Å²	132.7	70%	0.695	75%	0.748	S	S	*	*			trans	-134.2	161.8	174.6	39.7	-24	0	0	0	117.7
952	I	28.4	Very low	29.7	Very low	152.5 Å²	152.5	134.9 Å²	134.9	78%	0.782	75%	0.754	S	S	*	*			trans	71.3	130.9	146	-48.4	165.9	0	0	0	118.5
953	S	27.6	Very low	29.7	Very low	109 Å²	109	130.5 Å²	130.5	76%	0.762	74%	0.743	S	S	*	*			trans	128.8	165	137.7	131.6	0	0	0	0	115
954	S	28.5	Very low	29.1	Very low	97.25 Å²	97.25	133.4 Å²	133.4	68%	0.68	75%	0.747	S	S	*	*			cis	-157.6	155.6	33.2	34.1	0	0	0	0	114.4
955	D	29.6	Very low	29.1	Very low	142.75 Å²	142.75	134.9 Å²	134.9	76%	0.763	75%	0.745	S	S	*	*			trans	-161.7	148.3	133.2	-78.4	-57.1	0	0	0	114.3
956	N	28.9	Very low	29.2	Very low	139.5 Å²	139.5	132.6 Å²	132.6	75%	0.746	74%	0.741	S	S	*	*			trans	-163.3	150.7	133.9	-90.5	-72.9	0	0	0	117.1
957	Q	28.4	Very low	29.1	Very low	177.5 Å²	177.5	134.5 Å²	134.5	83%	0.829	75%	0.749	S	S	*	*			trans	108.2	138.1	145.5	-73.9	173.9	55.9	0	0	116.6
958	S	27.6	Very low	29.2	Very low	105 Å²	105	133.9 Å²	133.9	73%	0.734	75%	0.749	S	S	*	*				159.3	159.1	107.6	60.9	0	0	0	0	113.9
959	M	27.3	Very low	29.1	Very low	162 Å²	162	131.5 Å²	131.5	80%	0.798	74%	0.743	S	S	*	*				-141.6	172.5	69	-114.9	-120.8	161	0	0	110.8
960	I	31.1	Very low	29.1	Very low	146.5 Å²	146.5	135.5 Å²	135.5	75%	0.751	75%	0.745	S	S	*	*			trans	130.7	141.7	163.5	-66.1	167.8	0	0	0	113.3
961	Q	28.7	Very low	28.4	Very low	142.75 Å²	142.75	136.8 Å²	136.8	67%	0.667	75%	0.745	S	S	*	*			cis	-173	126.5	32.3	-171.6	153.3	14.8	0	0	112.8
962	Q	29.2	Very low	28.1	Very low	169.5 Å²	169.5	139.3 Å²	139.3	79%	0.792	75%	0.748	S	S	*	*			trans	74.2	160.3	155.6	-84.3	170.6	-27.9	0	0	118.5
963	S	27.7	Very low	28.1	Very low	86 Å²	86	141.1 Å²	141.1	60%	0.601	75%	0.751	S	S	*	*			cis	-166.3	147.9	-43.3	54	0	0	0	0	113.9
964	Q	27.7	Very low	28.2	Very low	166.75 Å²	166.75	143.3 Å²	143.3	78%	0.779	75%	0.749	S	S	*	*			trans	71.2	144.3	146.4	-71.8	172.4	-2.6	0	0	121.6
965	H	28.5	Very low	28.2	Very low	159.5 Å²	159.5	143.2 Å²	143.2	74%	0.738	75%	0.748	S	S	*	*				75.8	116.4	125.5	-81.2	-75.1	0	0	0	120.8
966	S	25.9	Very low	28.2	Very low	97.5 Å²	97.5	144.7 Å²	144.7	68%	0.682	75%	0.75	S	S	*	*				63.4	146.6	130	-36.3	0	0	0	0	119.6
967	T	27.1	Very low	28.1	Very low	138.25 Å²	138.25	144.1 Å²	144.1	85%	0.848	75%	0.752	S	S	*	*			trans	99.3	130.6	146.1	36.6	0	0	0	0	119.4
968	S	26.6	Very low	28.2	Very low	106.5 Å²	106.5	139 Å²	139	75%	0.745	75%	0.746	S	S	*	*			trans	98.5	152.4	153.1	-165.2	0	0	0	0	116.8
969	M	27.1	Very low	28.2	Very low	157.25 Å²	157.25	140 Å²	140	78%	0.775	75%	0.748	S	S	*	*			trans	133.6	123.4	168.4	-74.1	-123.5	-95.7	0	0	112.7
970	K	28.3	Very low	28.2	Very low	165 Å²	165	140.1 Å²	140.1	72%	0.717	75%	0.751	S	S	*	*				94	121.6	66.3	-111	-173.8	175.8	-178.9	0	115
971	N	28.6	Very low	27.9	Very low	143.75 Å²	143.75	139.4 Å²	139.4	77%	0.769	75%	0.749	S	S	*	*			trans	-18	146.1	141	-72.7	-3.1	0	0	0	115.9
972	Q	28.4	Very low	27.9	Very low	160.5 Å²	160.5	138.5 Å²	138.5	75%	0.75	75%	0.753	S	S	*	*			trans	-140.4	142.3	154.8	-109.3	172.1	-45.7	0	0	110.9
973	F	28.4	Very low	27.8	Very low	189.75 Å²	189.75	136.3 Å²	136.3	83%	0.832	75%	0.747	S	S	*	*			trans	-107.2	141.3	150.4	-97.3	-103.6	0	0	0	113.1
974	Q	28.1	Very low	27.8	Very low	156 Å²	156	138.9 Å²	138.9	73%	0.729	75%	0.753	S	S	*	*			trans	135.3	146.3	155.6	-143.2	173.2	5.6	0	0	115.9	H976	Q974-H976 PolarHBondContact O-N 2.79Å
975	S	28.8	Very low	27.8	Very low	95.25 Å²	95.25	138.7 Å²	138.7	67%	0.666	76%	0.756	S	S	*	*			trans	-178.2	130.2	-174.8	49.8	0	0	0	0	114.1	V977	S975-V977 VanDerWaalsContact C-N 3.3Å; S975-V977 PolarHBondContact O-N 3.11Å
976	H	30.4	Very low	27.7	Very low	174.5 Å²	174.5	134.1 Å²	134.1	81%	0.808	75%	0.752	S	S	*	*			trans	-118.2	112.9	143.7	-87.2	-26.9	0	0	0	114.2	Q974 G978	Q974-H976 PolarHBondContact O-N 2.79Å; H976-G978 PolarHBondContact O-N 3.22Å; H976-G978 VanDerWaalsContact O-N 3.09Å
977	V	26.3	Very low	27.8	Very low	127.25 Å²	127.25	135.8 Å²	135.8	77%	0.771	76%	0.758	S	S	*	*			trans	-6.1	112.7	151.8	-178.6	0	0	0	0	115.5	S975 T979	S975-V977 VanDerWaalsContact C-N 3.3Å; S975-V977 PolarHBondContact O-N 3.11Å; V977-T979 VanDerWaalsContact CG1-OG1 3.25Å; V977-T979 WeakPolarHBondContact CG1-OG1 3.31Å; V977-T979 PolarHBondContact O-N 3.01Å; V977-T979 PolarHBondContact O-OG1 2.99Å
978	G	30.1	Very low	27.8	Very low	69.75 Å²	69.75	133.9 Å²	133.9	72%	0.719	75%	0.751	S	S	*	*			trans	-149	95.9	159.4	0	0	0	0	0	114.9	H976 L980	H976-G978 PolarHBondContact O-N 3.22Å; H976-G978 VanDerWaalsContact O-N 3.09Å; G978-L980 PolarHBondContact O-N 3.1Å
979	T	27.2	Very low	27.8	Very low	125.25 Å²	125.25	136 Å²	136	77%	0.768	75%	0.753	S	S	*	*			trans	-15.5	128.8	149.2	0.5	0	0	0	0	116.2	V977 N981	V977-T979 VanDerWaalsContact CG1-OG1 3.25Å; V977-T979 WeakPolarHBondContact CG1-OG1 3.31Å; V977-T979 PolarHBondContact O-N 3.01Å; V977-T979 PolarHBondContact O-OG1 2.99Å; T979-N981 PolarHBondContact O-N 3.4Å
980	L	27.4	Very low	27.8	Very low	163.75 Å²	163.75	136.6 Å²	136.6	86%	0.857	75%	0.754	S	S	*	*			trans	141.4	126	161.5	-78.9	171.6	0	0	0	115.1	G978 V982	G978-L980 PolarHBondContact O-N 3.1Å; L980-V982 PolarHBondContact O-N 3.17Å
981	N	26.4	Very low	27.7	Very low	133.25 Å²	133.25	134.4 Å²	134.4	71%	0.713	75%	0.754	S	S	*	*			trans	39.9	122.1	141	-165.4	39.3	0	0	0	113.8	T979 N983	T979-N981 PolarHBondContact O-N 3.4Å; N981-N983 PolarHBondContact O-N 2.81Å
982	V	27.9	Very low	27.6	Very low	122.75 Å²	122.75	134.1 Å²	134.1	74%	0.744	76%	0.757	S	S	*	*			trans	-158.7	124.8	133	171.3	0	0	0	0	113.5	L980	L980-V982 PolarHBondContact O-N 3.17Å
983	N	27.2	Very low	27.6	Very low	124.75 Å²	124.75	132.5 Å²	132.5	67%	0.667	76%	0.758	S	S	*	*			trans	-131	136.9	153.6	-85.5	0.5	0	0	0	117	N981	N981-N983 PolarHBondContact O-N 2.81Å
984	D	26.6	Very low	27.9	Very low	139 Å²	139	129.2 Å²	129.2	74%	0.743	76%	0.756	S	S	*	*			trans	84.7	136.5	145.3	-77.6	-38.4	0	0	0	119.5
985	I	28.7	Very low	27.9	Very low	163.25 Å²	163.25	125.1 Å²	125.1	84%	0.837	76%	0.756	S	S	*	*			trans	147.4	120.8	150.3	-49.9	168.5	0	0	0	112	T987	I985-T987 HydrophobicContact CG2-CG2 4.27Å
986	G	27.1	Very low	27.9	Very low	62.5 Å²	62.5	129.1 Å²	129.1	64%	0.644	77%	0.769	S	S	*	*				-148.1	156.5	95.3	0	0	0	0	0	112.3	S988	G986-S988 PolarHBondContact O-N 2.88Å
987	T	27.9	Very low	27.7	Very low	132.5 Å²	132.5	124.6 Å²	124.6	81%	0.813	77%	0.769	S	S	*	*			trans	67.7	138.6	157.1	57.2	0	0	0	0	117.1	I985	I985-T987 HydrophobicContact CG2-CG2 4.27Å
988	S	26.9	Very low	27.8	Very low	100 Å²	100	122 Å²	122	70%	0.699	77%	0.768	S	S	*	*			trans	97.2	122.8	153.3	93.6	0	0	0	0	117.6	G986 Q990	G986-S988 PolarHBondContact O-N 2.88Å; S988-Q990 PolarHBondContact O-N 3.17Å
989	L	26.7	Very low	27.7	Very low	149.25 Å²	149.25	126.1 Å²	126.1	78%	0.781	77%	0.772	S	S	*	*			trans	56.6	108	138.4	-70.2	147.7	0	0	0	116.4
990	Q	27.3	Very low	27.7	Very low	171.25 Å²	171.25	127.3 Å²	127.3	80%	0.8	77%	0.769	S	S	*	*				-158.7	135.7	121.3	-114.4	172.7	41.2	0	0	112.4	S988 V992	S988-Q990 PolarHBondContact O-N 3.17Å; Q990-V992 PolarHBondContact O-N 3.5Å
991	T	24.6	Very low	27.8	Very low	118.5 Å²	118.5	126.6 Å²	126.6	73%	0.727	76%	0.761	S	S	*	*			trans	37.9	136.1	142.9	-17.2	0	0	0	0	116.4
992	V	28.2	Very low	27.9	Very low	136.5 Å²	136.5	124.3 Å²	124.3	83%	0.827	76%	0.756	S	S	*	*			trans	139.6	111.1	159.8	-135.5	0	0	0	0	116.4	Q990	Q990-V992 PolarHBondContact O-N 3.5Å
993	T	28.3	Very low	27.8	Very low	127 Å²	127	125.6 Å²	125.6	78%	0.779	76%	0.758	S	S	*	*			trans	-81.4	166.4	156	11.7	0	0	0	0	111.3
994	P	33.6	Very low	27.9	Very low	121.5 Å²	121.5	124.9 Å²	124.9	79%	0.789	76%	0.763	S	S	*	*			cis	-118.4	-174.8	-16.2	39	-26.1	0	0	0	112.2
995	G	28.4	Very low	27.9	Very low	69.5 Å²	69.5	122.5 Å²	122.5	72%	0.716	76%	0.762	S	S	*	*			trans	171.4	149.6	155	0	0	0	0	0	114.4
996	L	27.8	Very low	27.8	Very low	179.75 Å²	179.75	122.4 Å²	122.4	94%	0.941	76%	0.763	S	S	*	*				79.4	114.5	115.5	-96.6	113.6	0	0	0	114.6
997	G	27.9	Very low	27.9	Very low	79.5 Å²	79.5	127.5 Å²	127.5	82%	0.82	77%	0.77	S	S	*	*			trans	148.5	125.2	165.4	0	0	0	0	0	114.3
998	G	26.8	Very low	27.8	Very low	72 Å²	72	127.3 Å²	127.3	74%	0.742	76%	0.764	S	S	*	*				144.4	162.1	86	0	0	0	0	0	113.1
999	I	29.4	Very low	27.9	Very low	156 Å²	156	129.9 Å²	129.9	80%	0.8	77%	0.765	S	S	*	*				-176.2	131.3	95.7	-73.5	161.1	0	0	0	109.8
1000	Q	26.1	Very low	27.9	Very low	150.5 Å²	150.5	128.7 Å²	128.7	70%	0.703	76%	0.759	S	S	*	*				63.1	141.5	124.3	-83.2	175	-18.1	0	0	118.4
1001	H	29.7	Very low	27.9	Very low	149.6 Å²	149.6	129.3 Å²	129.3	69%	0.693	76%	0.759	S	S	*	*				111	132.9	114	-81.3	-70.5	0	0	0	117.3
1002	S	28.1	Very low	28	Very low	85.6 Å²	85.6	129.1 Å²	129.1	60%	0.599	76%	0.758	S	S	*	*				110.9	140.7	82.8	-24.5	0	0	0	0	118.4
1003	N	27.1	Very low	28	Very low	148.6 Å²	148.6	130.8 Å²	130.8	80%	0.795	76%	0.757	S	S	*	*				72.2	136.7	128.1	-58.9	-6.4	0	0	0	118.4
1004	S	28.7	Very low	27.9	Very low	111 Å²	111	130 Å²	130	78%	0.776	76%	0.756	S	S	*	*				153.1	151.7	50.7	46.3	0	0	0	0	114.8
1005	A	26.2	Very low	27.5	Very low	87.8 Å²	87.8	133.2 Å²	133.2	73%	0.726	76%	0.761	S	S	*	*				152.6	152.4	123.3	0	0	0	0	0	113.6
1006	L	28	Very low	27.5	Very low	161 Å²	161	134.9 Å²	134.9	84%	0.843	76%	0.762	S	S	*	*			trans	132	145.8	155.9	-65.2	174	0	0	0	111.9
1007	Q	28.3	Very low	27.5	Very low	169.6 Å²	169.6	133.5 Å²	133.5	79%	0.793	76%	0.755	S	S	*	*			trans	-166.4	147.1	-176.6	-83.2	177.9	-20.6	0	0	111.3
1008	N	26.4	Very low	27.5	Very low	129.6 Å²	129.6	137.4 Å²	137.4	69%	0.693	75%	0.752	S	S	*	*			trans	37.2	144.8	139.2	-75.7	24.1	0	0	0	115.5
1009	E	28.5	Very low	27.5	Very low	154.8 Å²	154.8	141 Å²	141	72%	0.723	75%	0.753	S	S	*	*			cis	-153.4	162.7	10.1	-88.9	-140.2	134	0	0	111
1010	N	26.4	Very low	27.4	Very low	122.2 Å²	122.2	141.4 Å²	141.4	65%	0.653	75%	0.752	S	S	*	*			trans	1.2	141.9	154.8	-62.5	-53.6	0	0	0	116.3
1011	F	26.9	Very low	27.5	Very low	184.4 Å²	184.4	143.5 Å²	143.5	81%	0.809	76%	0.759	S	S	*	*				152.8	139.4	103.6	-106.5	-105.4	0	0	0	113.6	Q1013	F1011-Q1013 HydrophobicContact CD1-CB 4.44Å
1012	V	27.6	Very low	27.4	Very low	115.6 Å²	115.6	141.8 Å²	141.8	70%	0.701	76%	0.759	S	S	*	*				179.1	138.4	101.8	158.5	0	0	0	0	112.2
1013	Q	27.1	Very low	27.3	Very low	171.4 Å²	171.4	144.2 Å²	144.2	80%	0.801	77%	0.765	S	S	*	*			trans	-105	142.7	153.2	-93.2	157.9	-61.9	0	0	114.6	F1011	F1011-Q1013 HydrophobicContact CD1-CB 4.44Å
1014	S	26.9	Very low	27.3	Very low	110 Å²	110	145.8 Å²	145.8	77%	0.769	77%	0.768	S	S	*	*			trans	-113	150.4	153.4	-20.9	0	0	0	0	112.5
1015	E	26.4	Very low	27.2	Very low	188 Å²	188	145.6 Å²	145.6	88%	0.879	77%	0.767	S	S	*	*			trans	-128.1	164	143.7	-105.7	158.7	129	0	0	111.3
1016	S	27.4	Very low	27.3	Very low	106.6 Å²	106.6	146.5 Å²	146.5	75%	0.745	77%	0.767	S	S	*	*			trans	-149.9	143.9	168.5	-38.1	0	0	0	0	111.9
1017	D	27.7	Very low	27.3	Very low	150 Å²	150	146.4 Å²	146.4	80%	0.802	77%	0.767	S	S	*	*			trans	-151.3	157.8	144.5	-93.3	-43.9	0	0	0	116.2
1018	H	28.3	Very low	27.2	Very low	160.6 Å²	160.6	145.4 Å²	145.4	74%	0.744	77%	0.766	S	S	*	*			trans	-110.2	146.9	152.2	-120.2	-86.3	0	0	0	114.4	Q1020	H1018-Q1020 PolarHBondContact O-N 2.83Å
1019	L	26.8	Very low	27.4	Very low	147.8 Å²	147.8	144.5 Å²	144.5	77%	0.774	77%	0.765	S	S	*	*				-156.9	151.9	107.3	-126.4	70.1	0	0	0	113.6
1020	Q	27	Very low	27.6	Very low	164.6 Å²	164.6	142.5 Å²	142.5	77%	0.769	76%	0.759	S	S	*	*			trans	-106.3	139.9	155	-89.8	168	-1	0	0	113.5	H1018	H1018-Q1020 PolarHBondContact O-N 2.83Å
1021	K	27.7	Very low	28	Very low	195 Å²	195	141.2 Å²	141.2	85%	0.848	76%	0.76	S	S	*	*			trans	-157.2	136.1	143.2	-117	177.3	-179.5	-177.5	0	114
1022	T	27	Very low	28.4	Very low	112.6 Å²	112.6	138.8 Å²	138.8	69%	0.691	75%	0.751	S	S	*	*			trans	-130.4	134.7	144.7	-28.2	0	0	0	0	111.7
1023	D	26.8	Very low	28.7	Very low	138 Å²	138	140.1 Å²	140.1	74%	0.738	75%	0.749	S	S	*	*			trans	-110.8	133.2	142.9	-64.2	-63.1	0	0	0	115.1
1024	Q	27.2	Very low	29.1	Very low	180.2 Å²	180.2	134.7 Å²	134.7	84%	0.842	73%	0.734	S	S	*	*			trans	178.6	109.9	139.5	-80.2	178.9	33.5	0	0	115.3
1025	S	27.6	Very low	29.6	Very low	108.6 Å²	108.6	132.8 Å²	132.8	76%	0.759	72%	0.72	S	S	*	*			trans	174.3	117.6	151.7	54.6	0	0	0	0	115.6
1026	S	26.9	Very low	30.2	Very low	105.2 Å²	105.2	128.8 Å²	128.8	74%	0.736	71%	0.705	S	S	*	*			trans	75	111.6	150.3	68.8	0	0	0	0	117.8
1027	L	27.6	Very low	30.8	Very low	160 Å²	160	128.7 Å²	128.7	84%	0.838	70%	0.695	S	S	*	*			trans	99.6	97.9	145.5	-105.4	122.6	0	0	0	116.9
1028	L	27.6	Very low	31.4	Very low	147.8 Å²	147.8	126.8 Å²	126.8	77%	0.774	69%	0.685	S	S	*	*			trans	-164.4	93	152.4	-97.6	167.9	0	0	0	114.4	N1030 S1031	L1028-N1030 VanDerWaalsContact C-N 3.28Å; L1028-N1030 PolarHBondContact O-N 2.77Å; L1028-S1031 PolarHBondContact O-OG 3.32Å; L1028-S1031 VanDerWaalsContact O-OG 3.13Å
1029	V	30.2	Very low	32	Very low	111.6 Å²	111.6	124.5 Å²	124.5	68%	0.676	67%	0.674	S	S	*	*			trans	-66.1	71.1	174.2	-177.6	0	0	0	0	113.9	S1031 E1032	V1029-S1031 VanDerWaalsContact C-N 3.32Å; V1029-S1031 PolarHBondContact O-N 3.09Å; V1029-E1032 PolarHBondContact O-N 2.87Å
1030	N	32.5	Very low	32.6	Very low	112.6 Å²	112.6	121.8 Å²	121.8	60%	0.602	66%	0.66	S	S	*	*			trans	-78.6	89.5	172.3	-74.5	-1.4	0	0	0	114.3	L1028 E1032 H1033 K1410	L1028-N1030 VanDerWaalsContact C-N 3.28Å; L1028-N1030 PolarHBondContact O-N 2.77Å; N1030-E1032 PolarHBondContact O-N 3.28Å; N1030-H1033 PolarHBondContact O-N 3.28Å; N1030-K1410 WeakPolarHBondContact O-CE 3.37Å; N1030-K1410 PolarHBondContact O-NZ 3.42Å
1031	S	34.9	Very low	33.2	Very low	94.6 Å²	94.6	117.4 Å²	117.4	66%	0.662	65%	0.645	S	S	*	*	H	α-helix	trans	-72.1	-17.1	164.7	-170.8	0	0	0	0	113.3	L1028 V1029 H1033 A1034 S1035	L1028-S1031 PolarHBondContact O-OG 3.32Å; L1028-S1031 VanDerWaalsContact O-OG 3.13Å; V1029-S1031 VanDerWaalsContact C-N 3.32Å; V1029-S1031 PolarHBondContact O-N 3.09Å; S1031-H1033 VanDerWaalsContact C-N 3.34Å; S1031-H1033 PolarHBondContact O-N 3.09Å; S1031-A1034 WeakPolarHBondContact O-CB 3.17Å; S1031-A1034 PolarHBondContact O-N 3.16Å; S1031-A1034 VanDerWaalsContact O-N 3.12Å; S1031-S1035 VanDerWaalsContact O-CB 3.26Å; S1031-S1035 WeakPolarHBondContact O-CB 3.47Å; S1031-S1035 PolarHBondContact O-N 2.89Å; S1031-S1035 VanDerWaalsContact O-N 3.1Å
1032	E	34.9	Very low	33.8	Very low	133.4 Å²	133.4	114.3 Å²	114.3	62%	0.623	63%	0.633	S	S	*	*	H	α-helix	trans	-84.5	-44.3	-172.9	-65	175.8	167.6	0	0	112.2	V1029 N1030 A1034 S1035 L1036 I1455	V1029-E1032 PolarHBondContact O-N 2.87Å; N1030-E1032 PolarHBondContact O-N 3.28Å; E1032-A1034 VanDerWaalsContact C-N 3.29Å; E1032-A1034 PolarHBondContact O-N 3.2Å; E1032-S1035 CarbonylContact O-C 3.5Å; E1032-S1035 WeakPolarHBondContact O-CB 3.29Å; E1032-S1035 PolarHBondContact O-N 2.93Å; E1032-L1036 WeakPolarHBondContact O-CB 3.18Å; E1032-L1036 PolarHBondContact O-N 3.14Å; E1032-L1036 VanDerWaalsContact O-N 3.11Å; E1032-I1455 HydrophobicContact CG-CD1 4.36Å
1033	H	34.8	Very low	34.6	Very low	143.8 Å²	143.8	112.1 Å²	112.1	67%	0.666	62%	0.619	S	S	*	*	H	α-helix	trans	-83.5	-29	170.5	-96.7	-98	0	0	0	113	N1030 S1031 S1035 L1036 I1037	N1030-H1033 PolarHBondContact O-N 3.28Å; S1031-H1033 VanDerWaalsContact C-N 3.34Å; S1031-H1033 PolarHBondContact O-N 3.09Å; H1033-S1035 VanDerWaalsContact C-N 3.31Å; H1033-S1035 PolarHBondContact O-N 3.38Å; H1033-L1036 PolarHBondContact O-N 2.8Å; H1033-I1037 WeakPolarHBondContact O-CB 3.44Å; H1033-I1037 WeakPolarHBondContact O-CD1 3.37Å; H1033-I1037 VanDerWaalsContact O-CG1 3.26Å; H1033-I1037 WeakPolarHBondContact O-CG1 3.23Å; H1033-I1037 PolarHBondContact O-N 2.99Å; H1033-I1037 VanDerWaalsContact O-N 3.1Å
1034	A	34.4	Very low	35.1	Very low	58.4 Å²	58.4	110.7 Å²	110.7	48%	0.483	61%	0.611	S	S	.	*	H	α-helix	trans	-76.9	-32.2	174	0	0	0	0	0	111.7	S1031 E1032 L1036 I1037 N1038	S1031-A1034 WeakPolarHBondContact O-CB 3.17Å; S1031-A1034 PolarHBondContact O-N 3.16Å; S1031-A1034 VanDerWaalsContact O-N 3.12Å; E1032-A1034 VanDerWaalsContact C-N 3.29Å; E1032-A1034 PolarHBondContact O-N 3.2Å; A1034-L1036 VanDerWaalsContact C-N 3.3Å; A1034-L1036 PolarHBondContact O-N 3.43Å; A1034-I1037 PolarHBondContact O-N 2.98Å; A1034-N1038 WeakPolarHBondContact O-CB 3.31Å; A1034-N1038 VanDerWaalsContact O-CG 3.27Å; A1034-N1038 PolarHBondContact O-N 3.14Å; A1034-N1038 VanDerWaalsContact O-N 3.13Å; A1034-N1038 PolarHBondContact O-ND2 2.8Å
1035	S	38.4	Very low	35.7	Very low	68.6 Å²	68.6	107.2 Å²	107.2	48%	0.48	60%	0.597	S	S	.	*	H	α-helix	trans	-76.5	-39	164	175.9	0	0	0	0	111.6	S1031 E1032 H1033 I1037 N1038 Q1039	S1031-S1035 VanDerWaalsContact O-CB 3.26Å; S1031-S1035 WeakPolarHBondContact O-CB 3.47Å; S1031-S1035 PolarHBondContact O-N 2.89Å; S1031-S1035 VanDerWaalsContact O-N 3.1Å; E1032-S1035 CarbonylContact O-C 3.5Å; E1032-S1035 WeakPolarHBondContact O-CB 3.29Å; E1032-S1035 PolarHBondContact O-N 2.93Å; H1033-S1035 VanDerWaalsContact C-N 3.31Å; H1033-S1035 PolarHBondContact O-N 3.38Å; S1035-I1037 VanDerWaalsContact C-N 3.34Å; S1035-I1037 PolarHBondContact O-N 2.93Å; S1035-N1038 PolarHBondContact O-N 3.08Å; S1035-Q1039 VanDerWaalsContact O-CB 3.26Å; S1035-Q1039 WeakPolarHBondContact O-CB 3.32Å; S1035-Q1039 VanDerWaalsContact O-CG 3.24Å; S1035-Q1039 WeakPolarHBondContact O-CG 3.23Å; S1035-Q1039 PolarHBondContact O-N 3.04Å; S1035-Q1039 PolarHBondContact O-OE1 3.42Å; S1035-Q1039 PolarHBondContact OG-NE2 3.32Å; S1035-Q1039 VanDerWaalsContact OG-NE2 3.1Å
1036	L	37.6	Very low	36.1	Very low	105.4 Å²	105.4	106.3 Å²	106.3	55%	0.552	58%	0.583	S	S	*	*	H	α-helix	trans	-82.1	-27.5	171.2	-126.4	148.5	0	0	0	112.1	E1032 H1033 A1034 L1040	E1032-L1036 WeakPolarHBondContact O-CB 3.18Å; E1032-L1036 PolarHBondContact O-N 3.14Å; E1032-L1036 VanDerWaalsContact O-N 3.11Å; H1033-L1036 PolarHBondContact O-N 2.8Å; A1034-L1036 VanDerWaalsContact C-N 3.3Å; A1034-L1036 PolarHBondContact O-N 3.43Å; L1036-L1040 HydrophobicContact CD2-CD1 4.18Å; L1036-L1040 VanDerWaalsContact O-CB 3.29Å; L1036-L1040 WeakPolarHBondContact O-CB 3.37Å; L1036-L1040 VanDerWaalsContact O-CG 3.29Å; L1036-L1040 WeakPolarHBondContact O-CG 3.38Å; L1036-L1040 PolarHBondContact O-N 3.1Å
1037	I	39.9	Very low	36.5	Very low	103 Å²	103	105.7 Å²	105.7	53%	0.528	57%	0.572	S	S	.	*	H	α-helix	trans	-73.8	-48.7	173	-70.9	169.3	0	0	0	110.3	H1033 A1034 S1035 Q1039 L1040 T1041 L1406	H1033-I1037 WeakPolarHBondContact O-CB 3.44Å; H1033-I1037 WeakPolarHBondContact O-CD1 3.37Å; H1033-I1037 VanDerWaalsContact O-CG1 3.26Å; H1033-I1037 WeakPolarHBondContact O-CG1 3.23Å; H1033-I1037 PolarHBondContact O-N 2.99Å; H1033-I1037 VanDerWaalsContact O-N 3.1Å; A1034-I1037 PolarHBondContact O-N 2.98Å; S1035-I1037 VanDerWaalsContact C-N 3.34Å; S1035-I1037 PolarHBondContact O-N 2.93Å; I1037-Q1039 VanDerWaalsContact C-N 3.33Å; I1037-Q1039 PolarHBondContact O-N 2.86Å; I1037-L1040 CarbonylContact O-C 2.89Å; I1037-L1040 PolarHBondContact O-N 3.04Å; I1037-T1041 VanDerWaalsContact O-CB 3.3Å; I1037-T1041 WeakPolarHBondContact O-CB 3.34Å; I1037-T1041 PolarHBondContact O-N 3.02Å; I1037-T1041 PolarHBondContact O-OG1 3.05Å; I1037-T1041 VanDerWaalsContact O-OG1 3.1Å; I1037-L1406 HydrophobicContact CG2-CD2 4.16Å
1038	N	40	Very low	36.8	Very low	111.6 Å²	111.6	101.9 Å²	101.9	60%	0.597	56%	0.564	S	S	*	*	H	α-helix	trans	-55.5	-28.2	176.3	-69.7	-21.9	0	0	0	112.9	A1034 S1035 T1041 E1042	A1034-N1038 WeakPolarHBondContact O-CB 3.31Å; A1034-N1038 VanDerWaalsContact O-CG 3.27Å; A1034-N1038 PolarHBondContact O-N 3.14Å; A1034-N1038 VanDerWaalsContact O-N 3.13Å; A1034-N1038 PolarHBondContact O-ND2 2.8Å; S1035-N1038 PolarHBondContact O-N 3.08Å; N1038-T1041 CarbonylContact O-C 3.53Å; N1038-T1041 WeakPolarHBondContact O-CB 3.36Å; N1038-T1041 PolarHBondContact O-N 3.05Å; N1038-T1041 VanDerWaalsContact O-N 3.16Å; N1038-E1042 WeakPolarHBondContact O-CB 3.5Å; N1038-E1042 PolarHBondContact O-N 3.01Å; N1038-E1042 VanDerWaalsContact O-N 3.1Å
1039	Q	42.7	Very low	37.2	Very low	111.8 Å²	111.8	99.8 Å²	99.8	52%	0.522	56%	0.557	S	S	.	*	H	α-helix	trans	-75	-42.8	164.7	-94.6	177.6	19.4	0	0	111.8	S1035 I1037 T1041 E1042 V1043	S1035-Q1039 VanDerWaalsContact O-CB 3.26Å; S1035-Q1039 WeakPolarHBondContact O-CB 3.32Å; S1035-Q1039 VanDerWaalsContact O-CG 3.24Å; S1035-Q1039 WeakPolarHBondContact O-CG 3.23Å; S1035-Q1039 PolarHBondContact O-N 3.04Å; S1035-Q1039 PolarHBondContact O-OE1 3.42Å; S1035-Q1039 PolarHBondContact OG-NE2 3.32Å; S1035-Q1039 VanDerWaalsContact OG-NE2 3.1Å; I1037-Q1039 VanDerWaalsContact C-N 3.33Å; I1037-Q1039 PolarHBondContact O-N 2.86Å; Q1039-T1041 VanDerWaalsContact C-N 3.3Å; Q1039-T1041 PolarHBondContact O-N 2.91Å; Q1039-E1042 PolarHBondContact O-N 3.38Å; Q1039-V1043 VanDerWaalsContact O-CB 3.24Å; Q1039-V1043 WeakPolarHBondContact O-CB 3.37Å; Q1039-V1043 VanDerWaalsContact O-CG2 3.24Å; Q1039-V1043 WeakPolarHBondContact O-CG2 3.38Å; Q1039-V1043 PolarHBondContact O-N 2.99Å; Q1039-V1043 VanDerWaalsContact O-N 3.12Å
1040	L	38.6	Very low	37.2	Very low	90 Å²	90	97.9 Å²	97.9	47%	0.471	55%	0.553	S	S	.	*	H	α-helix	trans	-80.5	-35.1	177.4	-114.3	142.5	0	0	0	111.4	L1036 I1037 V1043 I1044	L1036-L1040 HydrophobicContact CD2-CD1 4.18Å; L1036-L1040 VanDerWaalsContact O-CB 3.29Å; L1036-L1040 WeakPolarHBondContact O-CB 3.37Å; L1036-L1040 VanDerWaalsContact O-CG 3.29Å; L1036-L1040 WeakPolarHBondContact O-CG 3.38Å; L1036-L1040 PolarHBondContact O-N 3.1Å; I1037-L1040 CarbonylContact O-C 2.89Å; I1037-L1040 PolarHBondContact O-N 3.04Å; L1040-V1043 PolarHBondContact O-N 3.11Å; L1040-I1044 HydrophobicContact CB-CD1 4.46Å; L1040-I1044 HydrophobicContact CD2-CD1 4.48Å; L1040-I1044 HydrophobicContact CG-CD1 4.27Å; L1040-I1044 VanDerWaalsContact O-CB 3.31Å; L1040-I1044 WeakPolarHBondContact O-CB 3.26Å; L1040-I1044 WeakPolarHBondContact O-CD1 3.34Å; L1040-I1044 WeakPolarHBondContact O-CG1 3.36Å; L1040-I1044 PolarHBondContact O-N 3.1Å; L1040-I1044 VanDerWaalsContact O-N 3.17Å
1041	T	40.6	Very low	37.1	Very low	73.6 Å²	73.6	100.8 Å²	100.8	45%	0.452	56%	0.563	S	S	.	*	H	α-helix	trans	-57.8	-40.5	173.2	-56.6	0	0	0	0	112.6	I1037 N1038 Q1039 V1043 I1044 I1045	I1037-T1041 VanDerWaalsContact O-CB 3.3Å; I1037-T1041 WeakPolarHBondContact O-CB 3.34Å; I1037-T1041 PolarHBondContact O-N 3.02Å; I1037-T1041 PolarHBondContact O-OG1 3.05Å; I1037-T1041 VanDerWaalsContact O-OG1 3.1Å; N1038-T1041 CarbonylContact O-C 3.53Å; N1038-T1041 WeakPolarHBondContact O-CB 3.36Å; N1038-T1041 PolarHBondContact O-N 3.05Å; N1038-T1041 VanDerWaalsContact O-N 3.16Å; Q1039-T1041 VanDerWaalsContact C-N 3.3Å; Q1039-T1041 PolarHBondContact O-N 2.91Å; T1041-V1043 PolarHBondContact O-N 3.41Å; T1041-I1044 PolarHBondContact O-N 3.39Å; T1041-I1045 HydrophobicContact CG2-CD1 3.87Å; T1041-I1045 HydrophobicContact CG2-CG1 4.45Å; T1041-I1045 VanDerWaalsContact O-CB 3.3Å; T1041-I1045 WeakPolarHBondContact O-CB 3.45Å; T1041-I1045 VanDerWaalsContact O-CG1 3.26Å; T1041-I1045 WeakPolarHBondContact O-CG1 3.36Å; T1041-I1045 PolarHBondContact O-N 3.11Å; T1041-I1045 VanDerWaalsContact O-N 3.12Å
1042	E	40.1	Very low	36.8	Very low	129.6 Å²	129.6	99.2 Å²	99.2	61%	0.606	56%	0.561	S	S	*	*	H	α-helix	trans	-76.4	-45.9	161.3	-86.3	-144.8	153.7	0	0	112.4	N1038 Q1039 I1044 I1045 N1046	N1038-E1042 WeakPolarHBondContact O-CB 3.5Å; N1038-E1042 PolarHBondContact O-N 3.01Å; N1038-E1042 VanDerWaalsContact O-N 3.1Å; Q1039-E1042 PolarHBondContact O-N 3.38Å; E1042-I1044 VanDerWaalsContact C-N 3.29Å; E1042-I1044 PolarHBondContact O-N 3.28Å; E1042-I1045 PolarHBondContact O-N 3.18Å; E1042-N1046 WeakPolarHBondContact O-CA 3.35Å; E1042-N1046 VanDerWaalsContact O-CB 3.24Å; E1042-N1046 WeakPolarHBondContact O-CB 3.34Å; E1042-N1046 VanDerWaalsContact O-CG 3.25Å; E1042-N1046 PolarHBondContact O-N 3.12Å; E1042-N1046 PolarHBondContact O-ND2 3.07Å; E1042-N1046 VanDerWaalsContact O-ND2 3.11Å; E1042-N1046 PolarHBondContact OE2-ND2 3.13Å
1043	V	42.8	Very low	36.4	Very low	65.8 Å²	65.8	99.8 Å²	99.8	40%	0.399	57%	0.568	S	S	.	*	H	α-helix	trans	-48.2	-24.8	171.4	172.2	0	0	0	0	112.8	Q1039 L1040 T1041 N1047	Q1039-V1043 VanDerWaalsContact O-CB 3.24Å; Q1039-V1043 WeakPolarHBondContact O-CB 3.37Å; Q1039-V1043 VanDerWaalsContact O-CG2 3.24Å; Q1039-V1043 WeakPolarHBondContact O-CG2 3.38Å; Q1039-V1043 PolarHBondContact O-N 2.99Å; Q1039-V1043 VanDerWaalsContact O-N 3.12Å; L1040-V1043 PolarHBondContact O-N 3.11Å; T1041-V1043 PolarHBondContact O-N 3.41Å; V1043-N1047 VanDerWaalsContact CG1-ND2 3.3Å; V1043-N1047 WeakPolarHBondContact CG1-ND2 3.41Å; V1043-N1047 VanDerWaalsContact O-CB 3.25Å; V1043-N1047 WeakPolarHBondContact O-CB 3.3Å; V1043-N1047 PolarHBondContact O-N 3.17Å; V1043-N1047 PolarHBondContact O-ND2 2.79Å
1044	I	38.4	Very low	36	Very low	110 Å²	110	100.7 Å²	100.7	56%	0.564	58%	0.577	S	S	*	*	H	α-helix	trans	-60.7	-37.1	164.1	-66.4	166.8	0	0	0	111.2	L1040 T1041 E1042 N1047 A1048	L1040-I1044 HydrophobicContact CB-CD1 4.46Å; L1040-I1044 HydrophobicContact CD2-CD1 4.48Å; L1040-I1044 HydrophobicContact CG-CD1 4.27Å; L1040-I1044 VanDerWaalsContact O-CB 3.31Å; L1040-I1044 WeakPolarHBondContact O-CB 3.26Å; L1040-I1044 WeakPolarHBondContact O-CD1 3.34Å; L1040-I1044 WeakPolarHBondContact O-CG1 3.36Å; L1040-I1044 PolarHBondContact O-N 3.1Å; L1040-I1044 VanDerWaalsContact O-N 3.17Å; T1041-I1044 PolarHBondContact O-N 3.39Å; E1042-I1044 VanDerWaalsContact C-N 3.29Å; E1042-I1044 PolarHBondContact O-N 3.28Å; I1044-N1047 PolarHBondContact O-N 3.48Å; I1044-A1048 VanDerWaalsContact O-CB 3.28Å; I1044-A1048 WeakPolarHBondContact O-CB 3.26Å; I1044-A1048 PolarHBondContact O-N 3.26Å
1045	I	39.3	Very low	35.8	Very low	105.6 Å²	105.6	105.8 Å²	105.8	54%	0.542	60%	0.595	S	S	.	*	H	α-helix	trans	-80.5	-48.1	177.7	-77.8	168.6	0	0	0	110.4	T1041 E1042 N1047 A1048 T1049	T1041-I1045 HydrophobicContact CG2-CD1 3.87Å; T1041-I1045 HydrophobicContact CG2-CG1 4.45Å; T1041-I1045 VanDerWaalsContact O-CB 3.3Å; T1041-I1045 WeakPolarHBondContact O-CB 3.45Å; T1041-I1045 VanDerWaalsContact O-CG1 3.26Å; T1041-I1045 WeakPolarHBondContact O-CG1 3.36Å; T1041-I1045 PolarHBondContact O-N 3.11Å; T1041-I1045 VanDerWaalsContact O-N 3.12Å; E1042-I1045 PolarHBondContact O-N 3.18Å; I1045-N1047 PolarHBondContact O-N 2.94Å; I1045-A1048 WeakPolarHBondContact O-CB 3.43Å; I1045-A1048 PolarHBondContact O-N 3.1Å; I1045-T1049 WeakPolarHBondContact O-CB 3.4Å; I1045-T1049 WeakPolarHBondContact O-CG2 3.39Å; I1045-T1049 PolarHBondContact O-N 3.17Å; I1045-T1049 VanDerWaalsContact O-N 3.16Å; I1045-T1049 PolarHBondContact O-OG1 2.94Å; I1045-T1049 VanDerWaalsContact O-OG1 3.11Å
1046	N	36	Very low	35.3	Very low	89 Å²	89	106.3 Å²	106.3	48%	0.476	61%	0.611	S	S	.	*	H	α-helix	trans	-84.6	-34.6	177.5	-76.9	-28.4	0	0	0	111.5	E1042 T1049 A1050	E1042-N1046 WeakPolarHBondContact O-CA 3.35Å; E1042-N1046 VanDerWaalsContact O-CB 3.24Å; E1042-N1046 WeakPolarHBondContact O-CB 3.34Å; E1042-N1046 VanDerWaalsContact O-CG 3.25Å; E1042-N1046 PolarHBondContact O-N 3.12Å; E1042-N1046 PolarHBondContact O-ND2 3.07Å; E1042-N1046 VanDerWaalsContact O-ND2 3.11Å; E1042-N1046 PolarHBondContact OE2-ND2 3.13Å; N1046-T1049 WeakPolarHBondContact CA-OG1 3.26Å; N1046-T1049 CarbonylContact O-C 3.56Å; N1046-T1049 PolarHBondContact O-N 3.39Å; N1046-T1049 PolarHBondContact O-OG1 3.1Å; N1046-T1049 VanDerWaalsContact O-OG1 3.06Å; N1046-A1050 WeakPolarHBondContact O-CA 3.33Å; N1046-A1050 VanDerWaalsContact O-CB 3.27Å; N1046-A1050 WeakPolarHBondContact O-CB 3.39Å; N1046-A1050 PolarHBondContact O-N 2.97Å
1047	N	35.6	Very low	34.8	Very low	93.2 Å²	93.2	104.4 Å²	104.4	50%	0.498	62%	0.617	S	S	.	*	H	α-helix	trans	-59.6	-21.4	169.5	-79.3	-41.4	0	0	0	114.2	V1043 I1044 I1045 T1049 A1050 Q1051	V1043-N1047 VanDerWaalsContact CG1-ND2 3.3Å; V1043-N1047 WeakPolarHBondContact CG1-ND2 3.41Å; V1043-N1047 VanDerWaalsContact O-CB 3.25Å; V1043-N1047 WeakPolarHBondContact O-CB 3.3Å; V1043-N1047 PolarHBondContact O-N 3.17Å; V1043-N1047 PolarHBondContact O-ND2 2.79Å; I1044-N1047 PolarHBondContact O-N 3.48Å; I1045-N1047 PolarHBondContact O-N 2.94Å; N1047-T1049 VanDerWaalsContact C-N 3.3Å; N1047-T1049 PolarHBondContact O-N 3.3Å; N1047-A1050 WeakPolarHBondContact O-CB 3.09Å; N1047-A1050 PolarHBondContact O-N 3.03Å; N1047-Q1051 WeakPolarHBondContact O-CB 3.46Å; N1047-Q1051 WeakPolarHBondContact O-CG 3.35Å; N1047-Q1051 PolarHBondContact O-N 3.1Å; N1047-Q1051 VanDerWaalsContact O-N 3.14Å
1048	A	33.9	Very low	34.3	Very low	80.6 Å²	80.6	106.2 Å²	106.2	67%	0.666	63%	0.627	S	S	*	*	H	α-helix	trans	-79.8	-21.6	166.9	0	0	0	0	0	111.8	I1044 I1045 G1052	I1044-A1048 VanDerWaalsContact O-CB 3.28Å; I1044-A1048 WeakPolarHBondContact O-CB 3.26Å; I1044-A1048 PolarHBondContact O-N 3.26Å; I1045-A1048 WeakPolarHBondContact O-CB 3.43Å; I1045-A1048 PolarHBondContact O-N 3.1Å; A1048-G1052 PolarHBondContact O-N 3.09Å; A1048-G1052 VanDerWaalsContact O-N 3.12Å
1049	T	34.5	Very low	33.7	Very low	103.2 Å²	103.2	106.9 Å²	106.9	63%	0.633	63%	0.631	S	S	*	*	H	α-helix	trans	-90.6	-9.5	175.8	33.8	0	0	0	0	113.2	I1045 N1046 N1047 Q1051 G1052	I1045-T1049 WeakPolarHBondContact O-CB 3.4Å; I1045-T1049 WeakPolarHBondContact O-CG2 3.39Å; I1045-T1049 PolarHBondContact O-N 3.17Å; I1045-T1049 VanDerWaalsContact O-N 3.16Å; I1045-T1049 PolarHBondContact O-OG1 2.94Å; I1045-T1049 VanDerWaalsContact O-OG1 3.11Å; N1046-T1049 WeakPolarHBondContact CA-OG1 3.26Å; N1046-T1049 CarbonylContact O-C 3.56Å; N1046-T1049 PolarHBondContact O-N 3.39Å; N1046-T1049 PolarHBondContact O-OG1 3.1Å; N1046-T1049 VanDerWaalsContact O-OG1 3.06Å; N1047-T1049 VanDerWaalsContact C-N 3.3Å; N1047-T1049 PolarHBondContact O-N 3.3Å; T1049-Q1051 VanDerWaalsContact C-N 3.25Å; T1049-Q1051 PolarHBondContact O-N 2.85Å; T1049-G1052 CarbonylContact O-C 3.57Å; T1049-G1052 VanDerWaalsContact O-C 3.3Å; T1049-G1052 VanDerWaalsContact O-CA 3.29Å; T1049-G1052 WeakPolarHBondContact O-CA 3.31Å; T1049-G1052 PolarHBondContact O-N 3Å; T1049-G1052 VanDerWaalsContact O-N 3.17Å
1050	A	31.9	Very low	33	Very low	71.8 Å²	71.8	111.6 Å²	111.6	59%	0.593	65%	0.645	S	S	*	*	H	α-helix	trans	-87.3	-9.6	175.7	0	0	0	0	0	113.9	N1046 N1047 G1052	N1046-A1050 WeakPolarHBondContact O-CA 3.33Å; N1046-A1050 VanDerWaalsContact O-CB 3.27Å; N1046-A1050 WeakPolarHBondContact O-CB 3.39Å; N1046-A1050 PolarHBondContact O-N 2.97Å; N1047-A1050 WeakPolarHBondContact O-CB 3.09Å; N1047-A1050 PolarHBondContact O-N 3.03Å; A1050-G1052 PolarHBondContact O-N 3.13Å
1051	Q	30.1	Very low	32.6	Very low	174 Å²	174	113.8 Å²	113.8	81%	0.813	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	39.8	165	-67.9	-163.8	7.7	0	0	112.4	N1047 T1049 L1053 L1054	N1047-Q1051 WeakPolarHBondContact O-CB 3.46Å; N1047-Q1051 WeakPolarHBondContact O-CG 3.35Å; N1047-Q1051 PolarHBondContact O-N 3.1Å; N1047-Q1051 VanDerWaalsContact O-N 3.14Å; T1049-Q1051 VanDerWaalsContact C-N 3.25Å; T1049-Q1051 PolarHBondContact O-N 2.85Å; Q1051-L1053 PolarHBondContact O-N 2.91Å; Q1051-L1054 PolarHBondContact O-N 3.05Å
1052	G	28.1	Very low	32.1	Very low	60 Å²	60	115 Å²	115	62%	0.619	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	40.2	-179.1	0	0	0	0	0	114.1	A1048 T1049 A1050	A1048-G1052 PolarHBondContact O-N 3.09Å; A1048-G1052 VanDerWaalsContact O-N 3.12Å; T1049-G1052 CarbonylContact O-C 3.57Å; T1049-G1052 VanDerWaalsContact O-C 3.3Å; T1049-G1052 VanDerWaalsContact O-CA 3.29Å; T1049-G1052 WeakPolarHBondContact O-CA 3.31Å; T1049-G1052 PolarHBondContact O-N 3Å; T1049-G1052 VanDerWaalsContact O-N 3.17Å; A1050-G1052 PolarHBondContact O-N 3.13Å
1053	L	27.1	Very low	31.7	Very low	147.4 Å²	147.4	113.5 Å²	113.5	77%	0.772	67%	0.672	S	S	*	*			trans	-121.8	84.2	176.6	-72.6	170.5	0	0	0	113.7	Q1051 L1055	Q1051-L1053 PolarHBondContact O-N 2.91Å; L1053-L1055 HydrophobicContact CB-CD1 4.25Å; L1053-L1055 HydrophobicContact CB-CG 4.2Å; L1053-L1055 HydrophobicContact CD1-CD1 4.03Å; L1053-L1055 HydrophobicContact CD2-CD1 4.05Å; L1053-L1055 HydrophobicContact CD2-CG 4.14Å; L1053-L1055 HydrophobicContact CG-CD1 4.33Å; L1053-L1055 PolarHBondContact O-N 3.29Å; L1053-L1055 VanDerWaalsContact O-N 3.14Å
1054	L	26.7	Very low	31.1	Very low	161.8 Å²	161.8	117.7 Å²	117.7	85%	0.847	69%	0.689	S	S	*	*			trans	-166.5	99.2	144.5	-85	168.8	0	0	0	113.2	Q1051 G1056	Q1051-L1054 PolarHBondContact O-N 3.05Å; L1054-G1056 PolarHBondContact O-N 3.14Å
1055	L	29.5	Very low	30.8	Very low	166.4 Å²	166.4	118.4 Å²	118.4	87%	0.871	69%	0.694	S	S	*	*			trans	-120.8	104.9	161.9	-88.8	147	0	0	0	111.7	L1053 G1057	L1053-L1055 HydrophobicContact CB-CD1 4.25Å; L1053-L1055 HydrophobicContact CB-CG 4.2Å; L1053-L1055 HydrophobicContact CD1-CD1 4.03Å; L1053-L1055 HydrophobicContact CD2-CD1 4.05Å; L1053-L1055 HydrophobicContact CD2-CG 4.14Å; L1053-L1055 HydrophobicContact CG-CD1 4.33Å; L1053-L1055 PolarHBondContact O-N 3.29Å; L1053-L1055 VanDerWaalsContact O-N 3.14Å; L1055-G1057 VanDerWaalsContact C-N 3.3Å; L1055-G1057 PolarHBondContact O-N 3.15Å
1056	G	27.1	Very low	30.4	Very low	79.4 Å²	79.4	116.7 Å²	116.7	82%	0.819	70%	0.696	S	S	*	*			trans	-98.3	102.3	153.7	0	0	0	0	0	112.6	L1054	L1054-G1056 PolarHBondContact O-N 3.14Å
1057	G	27.1	Very low	30.2	Very low	64 Å²	64	119.3 Å²	119.3	66%	0.66	71%	0.709	S	S	*	*			trans	-169.3	89.9	178.4	0	0	0	0	0	115	L1055 N1059	L1055-G1057 VanDerWaalsContact C-N 3.3Å; L1055-G1057 PolarHBondContact O-N 3.15Å; G1057-N1059 VanDerWaalsContact C-N 3.25Å; G1057-N1059 PolarHBondContact O-N 3.09Å
1058	N	29.2	Very low	30	Very low	140.6 Å²	140.6	123.6 Å²	123.6	75%	0.752	72%	0.719	S	S	*	*			trans	24.4	125.8	170.9	-66.1	-30.4	0	0	0	116.9	Y1060 S1062	N1058-Y1060 VanDerWaalsContact C-N 3.35Å; N1058-Y1060 PolarHBondContact O-N 2.87Å; N1058-S1062 PolarHBondContact O-OG 2.83Å
1059	N	28.5	Very low	29.9	Very low	127 Å²	127	125 Å²	125	68%	0.679	72%	0.715	S	S	*	*			trans	54.1	106.6	160.5	-62.5	-31.7	0	0	0	115.4	G1057 S1063	G1057-N1059 VanDerWaalsContact C-N 3.25Å; G1057-N1059 PolarHBondContact O-N 3.09Å; N1059-S1063 PolarHBondContact O-OG 2.83Å
1060	Y	28.8	Very low	29.8	Very low	209.6 Å²	209.6	126.7 Å²	126.7	82%	0.822	72%	0.721	S	S	*	*				-123.3	178.3	126.7	-84.8	-86.7	0	0	0	114	N1058 M1064	N1058-Y1060 VanDerWaalsContact C-N 3.35Å; N1058-Y1060 PolarHBondContact O-N 2.87Å; Y1060-M1064 PolarHBondContact O-N 3.39Å
1061	I	30	Very low	29.8	Very low	137.8 Å²	137.8	126.9 Å²	126.9	71%	0.707	72%	0.723	S	S	*	*			trans	-112.3	179.1	-160	-91.6	171.1	0	0	0	110.6	S1063 M1064 N1065	I1061-S1063 VanDerWaalsContact C-N 3.27Å; I1061-S1063 PolarHBondContact O-N 3.29Å; I1061-M1064 PolarHBondContact O-N 3Å; I1061-N1065 PolarHBondContact O-N 3.13Å
1062	S	29.3	Very low	29.9	Very low	98.4 Å²	98.4	125.8 Å²	125.8	69%	0.688	72%	0.718	S	S	*	*			trans	-30.7	98.2	166.1	-64.4	0	0	0	0	117.1	N1058 A1066	N1058-S1062 PolarHBondContact O-OG 2.83Å; S1062-A1066 VanDerWaalsContact O-CB 3.31Å; S1062-A1066 WeakPolarHBondContact O-CB 3.46Å; S1062-A1066 PolarHBondContact O-N 3.3Å
1063	S	30.9	Very low	30	Very low	98 Å²	98	130.7 Å²	130.7	69%	0.685	72%	0.724	S	S	*	*			trans	-44.9	104.3	157.5	-59.8	0	0	0	0	115.6	N1059 I1061 A1066 L1067	N1059-S1063 PolarHBondContact O-OG 2.83Å; I1061-S1063 VanDerWaalsContact C-N 3.27Å; I1061-S1063 PolarHBondContact O-N 3.29Å; S1063-A1066 PolarHBondContact O-N 2.68Å; S1063-L1067 PolarHBondContact O-N 3.11Å; S1063-L1067 VanDerWaalsContact O-N 3.1Å
1064	M	30.7	Very low	30	Very low	153.4 Å²	153.4	127.7 Å²	127.7	76%	0.756	72%	0.716	S	S	*	*			trans	-114.8	128.9	155	-83.5	-83.5	-138.5	0	0	111.4	Y1060 I1061 A1066 L1067 Y1068	Y1060-M1064 PolarHBondContact O-N 3.39Å; I1061-M1064 PolarHBondContact O-N 3Å; M1064-A1066 VanDerWaalsContact C-N 3.33Å; M1064-A1066 PolarHBondContact O-N 2.83Å; M1064-L1067 PolarHBondContact O-N 2.96Å; M1064-Y1068 WeakPolarHBondContact O-CB 3.4Å; M1064-Y1068 PolarHBondContact O-N 2.93Å; M1064-Y1068 VanDerWaalsContact O-N 3.14Å
1065	N	31.6	Very low	30.2	Very low	124.8 Å²	124.8	128.4 Å²	128.4	67%	0.667	71%	0.714	S	S	*	*			trans	-73.1	140.4	148.1	-85.6	-22.5	0	0	0	112.2	I1061 N1069	I1061-N1065 PolarHBondContact O-N 3.13Å; N1065-N1069 WeakPolarHBondContact O-CB 3.35Å; N1065-N1069 PolarHBondContact O-N 2.85Å; N1065-N1069 VanDerWaalsContact O-N 3.14Å; N1065-N1069 PolarHBondContact O-ND2 3.37Å
1066	A	32.9	Very low	30.1	Very low	71 Å²	71	128.9 Å²	128.9	59%	0.587	71%	0.713	S	S	*	*			trans	16.6	-164.9	174.4	0	0	0	0	0	112.3	S1062 S1063 M1064 Y1068 N1069 D1070	S1062-A1066 VanDerWaalsContact O-CB 3.31Å; S1062-A1066 WeakPolarHBondContact O-CB 3.46Å; S1062-A1066 PolarHBondContact O-N 3.3Å; S1063-A1066 PolarHBondContact O-N 2.68Å; M1064-A1066 VanDerWaalsContact C-N 3.33Å; M1064-A1066 PolarHBondContact O-N 2.83Å; A1066-Y1068 VanDerWaalsContact C-N 3.3Å; A1066-Y1068 PolarHBondContact O-N 3.14Å; A1066-N1069 PolarHBondContact O-N 2.85Å; A1066-N1069 VanDerWaalsContact O-N 3.12Å; A1066-D1070 PolarHBondContact O-N 2.87Å
1067	L	30.8	Very low	30.4	Very low	143.2 Å²	143.2	129.9 Å²	129.9	75%	0.75	70%	0.704	S	S	*	*			trans	-107.5	155.4	-177.8	-111.4	104.6	0	0	0	112.8	S1063 M1064 A1071	S1063-L1067 PolarHBondContact O-N 3.11Å; S1063-L1067 VanDerWaalsContact O-N 3.1Å; M1064-L1067 PolarHBondContact O-N 2.96Å; L1067-A1071 PolarHBondContact O-N 3.43Å
1068	Y	30.9	Very low	30.5	Very low	183.6 Å²	183.6	134.4 Å²	134.4	72%	0.72	71%	0.712	S	S	*	*			trans	-44.7	87	168	-130.6	-120.9	0	0	0	116.2	M1064 A1066	M1064-Y1068 WeakPolarHBondContact O-CB 3.4Å; M1064-Y1068 PolarHBondContact O-N 2.93Å; M1064-Y1068 VanDerWaalsContact O-N 3.14Å; A1066-Y1068 VanDerWaalsContact C-N 3.3Å; A1066-Y1068 PolarHBondContact O-N 3.14Å
1069	N	32.4	Very low	30.5	Very low	108.8 Å²	108.8	133.4 Å²	133.4	58%	0.582	71%	0.71	S	S	*	*			trans	7	96.6	148.7	-75.2	-8.2	0	0	0	119.6	N1065 A1066 A1071 Q1072 Q1073	N1065-N1069 WeakPolarHBondContact O-CB 3.35Å; N1065-N1069 PolarHBondContact O-N 2.85Å; N1065-N1069 VanDerWaalsContact O-N 3.14Å; N1065-N1069 PolarHBondContact O-ND2 3.37Å; A1066-N1069 PolarHBondContact O-N 2.85Å; A1066-N1069 VanDerWaalsContact O-N 3.12Å; N1069-A1071 PolarHBondContact O-N 3.16Å; N1069-Q1072 PolarHBondContact O-N 2.89Å; N1069-Q1073 PolarHBondContact O-N 3.17Å
1070	D	32	Very low	30.5	Very low	139.2 Å²	139.2	133.6 Å²	133.6	74%	0.744	71%	0.712	S	S	*	*			trans	17	151.3	146.8	-84.8	-27	0	0	0	117.3	A1066 Q1072	A1066-D1070 PolarHBondContact O-N 2.87Å; D1070-Q1072 PolarHBondContact O-N 2.86Å
1071	A	32.1	Very low	30.6	Very low	77.2 Å²	77.2	130.3 Å²	130.3	64%	0.638	71%	0.708	S	S	*	*			trans	-136.1	108.1	-151	0	0	0	0	0	113.3	L1067 N1069	L1067-A1071 PolarHBondContact O-N 3.43Å; N1069-A1071 PolarHBondContact O-N 3.16Å
1072	Q	31.6	Very low	30.5	Very low	151 Å²	151	132.7 Å²	132.7	71%	0.706	72%	0.716	S	S	*	*			trans	-39.2	156.4	168.4	-65.6	-146	5.1	0	0	116.6	N1069 D1070 S1074 Q1075	N1069-Q1072 PolarHBondContact O-N 2.89Å; D1070-Q1072 PolarHBondContact O-N 2.86Å; Q1072-S1074 VanDerWaalsContact C-N 3.31Å; Q1072-S1074 PolarHBondContact O-N 3.16Å; Q1072-S1074 VanDerWaalsContact O-N 3.11Å; Q1072-Q1075 PolarHBondContact O-N 3.31Å
1073	Q	30.3	Very low	30.4	Very low	161.8 Å²	161.8	132.5 Å²	132.5	76%	0.756	72%	0.721	S	S	*	*			trans	-124.8	95.5	167.9	-75.8	-174.1	45.1	0	0	114.9	N1069	N1069-Q1073 PolarHBondContact O-N 3.17Å
1074	S	28.4	Very low	30.4	Very low	84.8 Å²	84.8	132 Å²	132	59%	0.593	72%	0.723	S	S	*	*			trans	-164.1	135.4	134.3	65.7	0	0	0	0	114.5	Q1072 Q1076	Q1072-S1074 VanDerWaalsContact C-N 3.31Å; Q1072-S1074 PolarHBondContact O-N 3.16Å; Q1072-S1074 VanDerWaalsContact O-N 3.11Å; S1074-Q1076 PolarHBondContact O-N 2.85Å
1075	Q	31	Very low	30.4	Very low	175.4 Å²	175.4	132.3 Å²	132.3	82%	0.82	73%	0.727	S	S	*	*			trans	83.4	120	156.9	-74.9	168.3	88.5	0	0	116.5	Q1072 P1077	Q1072-Q1075 PolarHBondContact O-N 3.31Å; Q1075-P1077 WeakPolarHBondContact O-CD 3.28Å
1076	Q	25.9	Very low	30.2	Very low	178.4 Å²	178.4	131.2 Å²	131.2	83%	0.834	73%	0.729	S	S	*	*			trans	-95.8	158.2	157.7	-79.1	-117.6	-6.9	0	0	111.2	S1074 I1078	S1074-Q1076 PolarHBondContact O-N 2.85Å; Q1076-I1078 PolarHBondContact O-N 3.02Å
1077	P	33.5	Very low	30.1	Very low	99 Å²	99	134.6 Å²	134.6	64%	0.643	74%	0.737	S	S	*	*			trans	-113.2	166.2	-140.4	32.5	-21	0	0	0	114.7	Q1075 V1079	Q1075-P1077 WeakPolarHBondContact O-CD 3.28Å; P1077-V1079 VanDerWaalsContact C-N 3.27Å; P1077-V1079 HydrophobicContact CB-CG2 4.45Å; P1077-V1079 PolarHBondContact O-N 2.91Å
1078	I	29.8	Very low	30	Very low	158.8 Å²	158.8	137.6 Å²	137.6	81%	0.814	74%	0.74	S	S	*	*			trans	-123.7	119.4	162.2	-37.4	-179.8	0	0	0	112.1	Q1076 N1080	Q1076-I1078 PolarHBondContact O-N 3.02Å; I1078-N1080 PolarHBondContact O-N 3.04Å
1079	V	29	Very low	30	Very low	120 Å²	120	136.4 Å²	136.4	73%	0.727	75%	0.745	S	S	*	*				-141.2	131.6	110.8	-179.8	0	0	0	0	111.9	P1077	P1077-V1079 VanDerWaalsContact C-N 3.27Å; P1077-V1079 HydrophobicContact CB-CG2 4.45Å; P1077-V1079 PolarHBondContact O-N 2.91Å
1080	N	29.3	Very low	29.7	Very low	131.6 Å²	131.6	135.9 Å²	135.9	70%	0.704	75%	0.75	S	S	*	*			trans	101.8	143.5	154.7	-87.7	-21.2	0	0	0	119.4	I1078	I1078-N1080 PolarHBondContact O-N 3.04Å
1081	N	30.3	Very low	29.6	Very low	139.4 Å²	139.4	139.7 Å²	139.7	75%	0.745	75%	0.754	S	S	*	*				99.7	117.7	121.9	-77.9	-26.2	0	0	0	116.2	A1083	N1081-A1083 PolarHBondContact O-N 3.48Å
1082	Q	27.2	Very low	29.5	Very low	188 Å²	188	143.9 Å²	143.9	88%	0.879	76%	0.76	S	S	*	*			trans	-82.9	151.9	137.2	-87	178.9	4.4	0	0	115.5
1083	A	28.9	Very low	29.3	Very low	95.4 Å²	95.4	141.8 Å²	141.8	79%	0.788	76%	0.762	S	S	*	*			trans	134.6	117.4	-178.4	0	0	0	0	0	115.5	N1081	N1081-A1083 PolarHBondContact O-N 3.48Å
1084	A	30	Very low	29.4	Very low	87.8 Å²	87.8	139.2 Å²	139.2	73%	0.726	76%	0.762	S	S	*	*			trans	-156.4	162.7	131.4	0	0	0	0	0	113.6	S1086	A1084-S1086 PolarHBondContact O-N 2.84Å
1085	L	30.4	Very low	29.4	Very low	159.6 Å²	159.6	141.5 Å²	141.5	84%	0.836	77%	0.772	S	S	*	*			trans	62.7	76.2	161.9	-66.9	171.2	0	0	0	117.3	N1087	L1085-N1087 PolarHBondContact O-N 2.98Å
1086	S	28.4	Very low	29.6	Very low	101.6 Å²	101.6	138.4 Å²	138.4	71%	0.71	77%	0.768	S	S	*	*				68.4	84	114.7	-23.9	0	0	0	0	116.4	A1084	A1084-S1086 PolarHBondContact O-N 2.84Å
1087	N	29.1	Very low	29.7	Very low	141 Å²	141	137.8 Å²	137.8	75%	0.754	77%	0.765	S	S	*	*			trans	163.1	105.7	162.3	-89.5	-24.3	0	0	0	117.4	L1085	L1085-N1087 PolarHBondContact O-N 2.98Å
1088	Y	30.3	Very low	29.5	Very low	207.6 Å²	207.6	140.4 Å²	140.4	81%	0.814	77%	0.768	S	S	*	*			trans	178.3	116.1	154.4	-94.2	-81.4	0	0	0	116.5	S1090	Y1088-S1090 PolarHBondContact O-N 3.19Å
1089	L	29.6	Very low	29.4	Very low	158.6 Å²	158.6	141 Å²	141	83%	0.83	77%	0.768	S	S	*	*				61.7	98.3	120.9	-123.9	114.5	0	0	0	116.6
1090	S	27.5	Very low	29.3	Very low	98.4 Å²	98.4	139.6 Å²	139.6	69%	0.688	76%	0.763	S	S	*	*			trans	-169.2	109.9	157.5	-66.2	0	0	0	0	114.3	Y1088	Y1088-S1090 PolarHBondContact O-N 3.19Å
1091	R	29.8	Very low	29.3	Very low	218.6 Å²	218.6	141.4 Å²	141.4	83%	0.825	77%	0.767	S	S	*	*			trans	157.9	116.1	142.3	-90.4	163.4	-174.8	-105.1	4.7	112.4
1092	Q	30	Very low	29.3	Very low	165.2 Å²	165.2	141.1 Å²	141.1	77%	0.772	77%	0.765	S	S	*	*				102.4	137.2	79.1	-85.4	-176.5	-21.9	0	0	115.4
1093	S	27.4	Very low	29.3	Very low	107 Å²	107	139.6 Å²	139.6	75%	0.748	76%	0.758	S	S	*	*			trans	107.9	142.6	150.1	51	0	0	0	0	117.8
1094	S	31.1	Very low	29.2	Very low	107.6 Å²	107.6	141.7 Å²	141.7	75%	0.752	76%	0.756	S	S	*	*			trans	151.8	134.1	145.4	52.4	0	0	0	0	116
1095	T	29.5	Very low	29.2	Very low	132.4 Å²	132.4	143.7 Å²	143.7	81%	0.812	76%	0.759	S	S	*	*			trans	-86	171	149.9	41.9	0	0	0	0	111.7
1096	P	34.6	Very low	29.2	Very low	110.8 Å²	110.8	142.1 Å²	142.1	72%	0.719	76%	0.756	S	S	*	*			cis	-140.8	-172.5	24.9	42.5	-23.4	0	0	0	118.2
1097	Q	28.5	Very low	29.2	Very low	164.6 Å²	164.6	142 Å²	142	77%	0.769	76%	0.755	S	S	*	*			trans	80.7	152	160.7	-84.3	174.1	-4.9	0	0	118.7
1098	Q	29.6	Very low	29.3	Very low	154 Å²	154	142.9 Å²	142.9	72%	0.72	76%	0.758	S	S	*	*				99.1	126.5	109.9	-89.4	169.2	37.4	0	0	115.4
1099	Q	27.5	Very low	29.4	Very low	172 Å²	172	139.4 Å²	139.4	80%	0.804	76%	0.759	S	S	*	*				90.8	130.9	73.4	-132.4	-178.4	-0.4	0	0	114.9
1100	S	27	Very low	29.4	Very low	90 Å²	90	140.5 Å²	140.5	63%	0.629	76%	0.757	S	S	*	*				111.9	141.4	113.4	61	0	0	0	0	116.3
1101	Q	28.9	Very low	29.5	Very low	169 Å²	169	141.7 Å²	141.7	79%	0.79	76%	0.762	S	S	*	*			trans	112.2	146.8	153.6	-77.9	175.8	80.8	0	0	115.7
1102	L	29.4	Very low	29.6	Very low	133.8 Å²	133.8	137.2 Å²	137.2	70%	0.701	76%	0.759	S	S	*	*			cis	167.1	136.5	6.8	-112.5	108.7	0	0	0	115
1103	E	27.4	Very low	29.6	Very low	157 Å²	157	137.6 Å²	137.6	73%	0.734	76%	0.761	S	S	*	*			trans	59.1	131.8	134.1	-77.6	176.3	151.3	0	0	119.9
1104	N	26.7	Very low	29.7	Very low	138.8 Å²	138.8	143 Å²	143	74%	0.742	77%	0.765	S	S	*	*				118.3	140.3	125.2	-89.8	-35.1	0	0	0	117.8
1105	V	31.2	Very low	29.7	Very low	130.8 Å²	130.8	148.6 Å²	148.6	79%	0.793	77%	0.769	S	S	*	*			trans	123.6	115.4	138.7	176.1	0	0	0	0	115.4
1106	T	29.6	Very low	29.9	Very low	124.4 Å²	124.4	148.7 Å²	148.7	76%	0.763	77%	0.77	S	S	*	*			trans	-46.3	136.5	160.5	2.8	0	0	0	0	116.6
1107	S	29.4	Very low	29.8	Very low	99.8 Å²	99.8	153.7 Å²	153.7	70%	0.698	78%	0.775	S	S	*	*				-166.4	135.7	89	45.3	0	0	0	0	115.5	V1109	S1107-V1109 PolarHBondContact O-N 2.82Å
1108	I	30.7	Very low	30.2	Very low	160.2 Å²	160.2	155.4 Å²	155.4	82%	0.822	78%	0.779	S	S	*	*			trans	50.1	120.7	141	-54.6	169.6	0	0	0	115.8
1109	V	31.2	Very low	30.5	Very low	135.4 Å²	135.4	157.6 Å²	157.6	82%	0.821	79%	0.786	S	S	*	*			trans	-119.7	147.1	134.2	166	0	0	0	0	111.4	S1107	S1107-V1109 PolarHBondContact O-N 2.82Å
1110	K	30	Very low	31	Very low	181.2 Å²	181.2	154.6 Å²	154.6	79%	0.788	79%	0.785	S	S	*	*			trans	-104.9	146.2	174.3	-74.4	177.5	179.6	177.6	0	112.8
1111	P	30.5	Very low	31.9	Very low	122.2 Å²	122.2	158.5 Å²	158.5	79%	0.794	79%	0.79	S	S	*	*			trans	-88.9	146	163.6	26.7	-24.4	0	0	0	112	E1113	P1111-E1113 PolarHBondContact O-N 2.96Å
1112	T	31.3	Very low	33.1	Very low	125.2 Å²	125.2	155.4 Å²	155.4	77%	0.768	79%	0.787	S	S	*	*			trans	-88.8	105.3	178	-51.8	0	0	0	0	112.5	R1114	T1112-R1114 PolarHBondContact O-N 3.11Å
1113	E	29.6	Very low	34.6	Very low	172.8 Å²	172.8	155.8 Å²	155.8	81%	0.807	78%	0.783	S	S	*	*			trans	-66.1	116.6	157.9	-81.9	-175.9	160.2	0	0	112	P1111 R1115	P1111-E1113 PolarHBondContact O-N 2.96Å; E1113-R1115 VanDerWaalsContact C-N 3.3Å; E1113-R1115 HydrophobicContact CB-CG 3.73Å; E1113-R1115 PolarHBondContact O-N 3.2Å; E1113-R1115 IonicContact OE1-NH2 3.61Å; E1113-R1115 IonicContact OE2-CZ 3.7Å; E1113-R1115 IonicContact OE2-NE 2.72Å; E1113-R1115 PolarHBondContact OE2-NE 2.8Å; E1113-R1115 IonicContact OE2-NH2 2.69Å; E1113-R1115 PolarHBondContact OE2-NH2 3.2Å
1114	R	29.5	Very low	36.3	Very low	220.8 Å²	220.8	150.7 Å²	150.7	83%	0.833	76%	0.764	S	S	*	*			trans	-82	88.8	167.1	-117.3	-179	178.6	164.8	-0.7	109.4	T1112 T1116	T1112-R1114 PolarHBondContact O-N 3.11Å; R1114-T1116 PolarHBondContact O-N 3.06Å; R1114-T1116 VanDerWaalsContact O-N 3.12Å
1115	R	31.9	Very low	38.8	Very low	225 Å²	225	149.8 Å²	149.8	85%	0.849	75%	0.75	S	S	*	*			trans	-55.1	109	-178.5	-132.3	178.8	-178.7	178.9	0.2	110.6	E1113 R1117	E1113-R1115 VanDerWaalsContact C-N 3.3Å; E1113-R1115 HydrophobicContact CB-CG 3.73Å; E1113-R1115 PolarHBondContact O-N 3.2Å; E1113-R1115 IonicContact OE1-NH2 3.61Å; E1113-R1115 IonicContact OE2-CZ 3.7Å; E1113-R1115 IonicContact OE2-NE 2.72Å; E1113-R1115 PolarHBondContact OE2-NE 2.8Å; E1113-R1115 IonicContact OE2-NH2 2.69Å; E1113-R1115 PolarHBondContact OE2-NH2 3.2Å; R1115-R1117 HydrophobicContact CB-CG 4.46Å; R1115-R1117 PolarHBondContact O-N 3.27Å
1116	T	33.6	Very low	41.5	Very low	135 Å²	135	144.5 Å²	144.5	83%	0.828	72%	0.716	S	S	*	*			trans	-67.2	87.1	172.5	38	0	0	0	0	109.7	R1114 K1118	R1114-T1116 PolarHBondContact O-N 3.06Å; R1114-T1116 VanDerWaalsContact O-N 3.12Å; T1116-K1118 VanDerWaalsContact C-N 3.35Å; T1116-K1118 PolarHBondContact O-N 2.99Å; T1116-K1118 VanDerWaalsContact O-N 3.09Å
1117	R	32.6	Very low	44.4	Very low	216.4 Å²	216.4	139.6 Å²	139.6	82%	0.817	69%	0.685	S	S	*	*			trans	-63.4	104.4	173.5	-146.2	178	177.7	-169.3	-4.3	107.7	R1115 K1119 F1309	R1115-R1117 HydrophobicContact CB-CG 4.46Å; R1115-R1117 PolarHBondContact O-N 3.27Å; R1117-K1119 PolarHBondContact O-N 3.11Å; R1117-K1119 VanDerWaalsContact O-N 3.09Å; R1117-F1309 VanDerWaalsContact NH2-CD2 3.26Å
1118	K	35.5	Very low	47.4	Very low	199.2 Å²	199.2	134.9 Å²	134.9	87%	0.866	65%	0.652	S	S	*	*			trans	-46.1	114.7	176.6	-71.1	-174.8	176.6	-175.9	0	108.9	T1116 S1120	T1116-K1118 VanDerWaalsContact C-N 3.35Å; T1116-K1118 PolarHBondContact O-N 2.99Å; T1116-K1118 VanDerWaalsContact O-N 3.09Å; K1118-S1120 PolarHBondContact O-N 3.19Å; K1118-S1120 VanDerWaalsContact O-N 3.11Å
1119	K	36.1	Very low	50.3	Low	199.6 Å²	199.6	130.1 Å²	130.1	87%	0.868	62%	0.623	S	S	*	*			trans	-60.8	108	171.4	-75.4	-172.5	175.3	-174.8	0	107.6	R1117 K1121	R1117-K1119 PolarHBondContact O-N 3.11Å; R1117-K1119 VanDerWaalsContact O-N 3.09Å; K1119-K1121 PolarHBondContact O-N 3.13Å; K1119-K1121 VanDerWaalsContact O-N 3.08Å
1120	S	39.5	Very low	53.2	Low	110 Å²	110	123.7 Å²	123.7	77%	0.769	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-55.8	120.9	164.4	43.2	0	0	0	0	107.8	K1118 S1122	K1118-S1120 PolarHBondContact O-N 3.19Å; K1118-S1120 VanDerWaalsContact O-N 3.11Å; S1120-S1122 WeakPolarHBondContact O-CA 3.27Å; S1120-S1122 PolarHBondContact O-N 2.99Å; S1120-S1122 VanDerWaalsContact O-N 3.09Å
1121	K	45	Very low	56.2	Low	172 Å²	172	117 Å²	117	75%	0.748	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-54.9	120.9	174.9	-75.3	-174.5	171.2	-172.9	0	108	K1119 K1123 N1160 N1161	K1119-K1121 PolarHBondContact O-N 3.13Å; K1119-K1121 VanDerWaalsContact O-N 3.08Å; K1121-K1123 PolarHBondContact O-N 2.98Å; K1121-N1160 VanDerWaalsContact CD-OD1 3.26Å; K1121-N1160 WeakPolarHBondContact CD-OD1 3.47Å; K1121-N1160 WeakPolarHBondContact CE-OD1 3.41Å; K1121-N1160 VanDerWaalsContact NZ-CG 3.31Å; K1121-N1160 PolarHBondContact NZ-O 2.84Å; K1121-N1160 PolarHBondContact NZ-OD1 3.06Å; K1121-N1161 PolarHBondContact NZ-OD1 3.25Å
1122	S	53.3	Low	59	Low	103 Å²	103	116.4 Å²	116.4	72%	0.72	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-63.3	133.2	178.8	44.7	0	0	0	0	109.3	S1120	S1120-S1122 WeakPolarHBondContact O-CA 3.27Å; S1120-S1122 PolarHBondContact O-N 2.99Å; S1120-S1122 VanDerWaalsContact O-N 3.09Å
1123	K	61.1	Low	61.7	Low	142.4 Å²	142.4	112.3 Å²	112.3	62%	0.619	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-53	133.7	175.3	-132.2	177.8	-177.3	178.8	0	108.9	K1121 R1125 Y1225 E1293	K1121-K1123 PolarHBondContact O-N 2.98Å; K1123-R1125 WeakPolarHBondContact O-CG 3.38Å; K1123-R1125 PolarHBondContact O-N 3.02Å; K1123-R1125 VanDerWaalsContact O-N 3.16Å; K1123-Y1225 HydrophobicContact CB-CD1 3.53Å; K1123-Y1225 HydrophobicContact CB-CE1 4.13Å; K1123-Y1225 HydrophobicContact CB-CG 4.35Å; K1123-Y1225 HydrophobicContact CD-CD1 4.06Å; K1123-Y1225 HydrophobicContact CD-CE1 4.3Å; K1123-Y1225 HydrophobicContact CD-CG 4.14Å; K1123-Y1225 HydrophobicContact CG-CD1 4.27Å; K1123-Y1225 HydrophobicContact CG-CE1 4.31Å; K1123-E1293 IonicContact NZ-OE1 2.77Å; K1123-E1293 PolarHBondContact NZ-OE1 2.8Å; K1123-E1293 IonicContact NZ-OE2 2.89Å; K1123-E1293 PolarHBondContact NZ-OE2 3.05Å
1124	P	64.5	Low	64.3	Low	50 Å²	50	106.2 Å²	106.2	33%	0.325	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-59.1	130.2	-178.4	24.8	-34.5	0	0	0	109.9	Y1126 P1154 M1156 P1159 Y1225	P1124-Y1126 HydrophobicContact CB-CE2 4.28Å; P1124-Y1126 WeakPolarHBondContact O-CD2 3.4Å; P1124-P1154 HydrophobicContact CB-CB 4Å; P1124-P1154 HydrophobicContact CB-CG 3.72Å; P1124-P1154 VanDerWaalsContact CB-CG 3.4Å; P1124-P1154 HydrophobicContact CG-CB 4.09Å; P1124-P1154 HydrophobicContact CG-CG 4.31Å; P1124-M1156 HydrophobicContact CB-SD 4.49Å; P1124-P1159 VanDerWaalsContact CB-O 3.31Å; P1124-P1159 WeakPolarHBondContact CB-O 3.42Å; P1124-P1159 HydrophobicContact CG-CB 4.12Å; P1124-P1159 VanDerWaalsContact CG-O 3.26Å; P1124-P1159 WeakPolarHBondContact CG-O 3.48Å; P1124-Y1225 WeakPolarHBondContact O-CD1 3.29Å; P1124-Y1225 WeakPolarHBondContact O-CE1 3.34Å
1125	R	79.2	Confident	66.5	Low	120 Å²	120	103.8 Å²	103.8	45%	0.453	48%	0.479	S	S	.	.			trans	-106.3	134.5	-174	-129.3	-175.7	160.1	-178.2	-2.7	109.5	K1123 I1127 P1154 D1221 I1223 Y1225	K1123-R1125 WeakPolarHBondContact O-CG 3.38Å; K1123-R1125 PolarHBondContact O-N 3.02Å; K1123-R1125 VanDerWaalsContact O-N 3.16Å; R1125-I1127 HydrophobicContact CB-CG1 4.14Å; R1125-I1127 HydrophobicContact CG-CG1 4.15Å; R1125-P1154 VanDerWaalsContact O-CD 3.3Å; R1125-P1154 WeakPolarHBondContact O-CD 3.22Å; R1125-D1221 IonicContact NH2-OD2 2.77Å; R1125-D1221 PolarHBondContact NH2-OD2 3.15Å; R1125-I1223 HydrophobicContact CB-CG2 4.35Å; R1125-I1223 HydrophobicContact CG-CG2 3.69Å; R1125-Y1225 HydrophobicContact CB-CE1 4.05Å
1126	Y	87.2	Confident	67.9	Low	20.6 Å²	20.6	96.2 Å²	96.2	8%	0.081	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131	170.8	-61.3	-123.9	0	0	0	107.6	P1124 E1152 M1153 P1154 I1194 A1197 I1223 F1224 Y1225 P1226	P1124-Y1126 HydrophobicContact CB-CE2 4.28Å; P1124-Y1126 WeakPolarHBondContact O-CD2 3.4Å; Y1126-E1152 CarbonylContact C-O 3.56Å; Y1126-E1152 WeakPolarHBondContact CA-O 3.32Å; Y1126-M1153 HydrophobicContact CD1-CB 3.49Å; Y1126-M1153 VanDerWaalsContact CD1-CB 3.47Å; Y1126-M1153 HydrophobicContact CD1-CE 4.19Å; Y1126-M1153 HydrophobicContact CD1-CG 4.06Å; Y1126-M1153 HydrophobicContact CD1-SD 3.98Å; Y1126-M1153 HydrophobicContact CD2-CB 3.76Å; Y1126-M1153 HydrophobicContact CD2-CG 3.61Å; Y1126-M1153 HydrophobicContact CD2-SD 4.17Å; Y1126-M1153 HydrophobicContact CE1-CB 3.67Å; Y1126-M1153 HydrophobicContact CE1-CE 4.19Å; Y1126-M1153 HydrophobicContact CE1-CG 4.29Å; Y1126-M1153 HydrophobicContact CE1-SD 3.95Å; Y1126-M1153 VanDerWaalsContact CE1-SD 3.51Å; Y1126-M1153 HydrophobicContact CE2-CB 3.84Å; Y1126-M1153 HydrophobicContact CE2-CG 3.95Å; Y1126-M1153 HydrophobicContact CE2-SD 4.1Å; Y1126-M1153 HydrophobicContact CG-CB 4.25Å; Y1126-M1153 HydrophobicContact CG-CG 3.63Å; Y1126-M1153 HydrophobicContact CG-SD 3.97Å; Y1126-P1154 HydrophobicContact CD2-CG 4.31Å; Y1126-P1154 HydrophobicContact CE1-CG 4.14Å; Y1126-P1154 HydrophobicContact CE2-CG 4.04Å; Y1126-I1194 HydrophobicContact CD1-CG2 4.44Å; Y1126-I1194 HydrophobicContact CE1-CD1 4.28Å; Y1126-I1194 HydrophobicContact CE1-CG1 4.08Å; Y1126-I1194 HydrophobicContact CE1-CG2 4.1Å; Y1126-I1194 WeakPolarHBondContact OH-CG1 3.32Å; Y1126-A1197 HydrophobicContact CE1-CB 4.33Å; Y1126-I1223 WeakPolarHBondContact O-CA 3.37Å; Y1126-F1224 VanDerWaalsContact CB-CZ 3.41Å; Y1126-F1224 WeakPolarHBondContact CB-O 3.39Å; Y1126-F1224 AromaticContact CD1-CE2 3.93Å; Y1126-F1224 HydrophobicContact CD1-CE2 4.3Å; Y1126-F1224 AromaticContact CD1-CZ 3.81Å; Y1126-F1224 HydrophobicContact CD1-CZ 4.22Å; Y1126-F1224 HydrophobicContact CG-CD2 4.39Å; Y1126-F1224 AromaticContact CG-CE2 3.84Å; Y1126-F1224 HydrophobicContact CG-CE2 4.22Å; Y1126-F1224 AromaticContact CG-CZ 3.91Å; Y1126-F1224 HydrophobicContact CG-CZ 4.25Å; Y1126-F1224 PolarHBondContact N-O 3.14Å; Y1126-F1224 PolarHBondContact O-N 3.07Å; Y1126-F1224 VanDerWaalsContact O-N 3.09Å; Y1126-Y1225 HydrophobicContact CD2-CD1 4.06Å; Y1126-Y1225 HydrophobicContact CE2-CD1 4.45Å; Y1126-P1226 HydrophobicContact CD1-CG 4.11Å; Y1126-P1226 VanDerWaalsContact CD2-CD 3.45Å; Y1126-P1226 HydrophobicContact CD2-CG 4.07Å; Y1126-P1226 HydrophobicContact CE1-CG 3.85Å; Y1126-P1226 VanDerWaalsContact CE2-CD 3.47Å; Y1126-P1226 HydrophobicContact CE2-CG 3.82Å; Y1126-P1226 VanDerWaalsContact CE2-CG 3.42Å; Y1126-P1226 HydrophobicContact CG-CG 4.24Å
1127	I	90.2	Very high	68.9	Low	20.4 Å²	20.4	94.7 Å²	94.7	11%	0.105	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.9	-176.9	-55.1	174.9	0	0	0	108.2	R1125 L1151 E1152 D1221 Y1222 I1223	R1125-I1127 HydrophobicContact CB-CG1 4.14Å; R1125-I1127 HydrophobicContact CG-CG1 4.15Å; I1127-L1151 CarbonylContact O-C 3.55Å; I1127-L1151 WeakPolarHBondContact O-CA 3.33Å; I1127-E1152 HydrophobicContact CB-CB 4.34Å; I1127-E1152 PolarHBondContact N-O 3.13Å; I1127-E1152 PolarHBondContact O-N 3.06Å; I1127-D1221 HydrophobicContact CG2-CB 3.87Å; I1127-D1221 VanDerWaalsContact CG2-CG 3.5Å; I1127-D1221 WeakPolarHBondContact CG2-OD1 3.3Å; I1127-D1221 WeakPolarHBondContact CG2-OD2 3.5Å; I1127-Y1222 WeakPolarHBondContact CA-O 3.27Å; I1127-I1223 HydrophobicContact CG1-CG1 4.49Å
1128	L	92.3	Very high	69.8	Low	2 Å²	2	92.5 Å²	92.5	1%	0.01	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.1	172.1	-158.8	77	0	0	0	109	F1149 Y1150 L1151 F1168 G1201 V1202 L1205 Y1222 F1224	L1128-F1149 HydrophobicContact CD1-CB 4.25Å; L1128-F1149 HydrophobicContact CD1-CD1 3.97Å; L1128-F1149 HydrophobicContact CD1-CG 4.48Å; L1128-F1149 HydrophobicContact CD2-CD1 4.4Å; L1128-F1149 HydrophobicContact CG-CD1 4.25Å; L1128-Y1150 CarbonylContact C-O 3.33Å; L1128-Y1150 WeakPolarHBondContact CA-O 3.24Å; L1128-L1151 HydrophobicContact CD1-CB 4.19Å; L1128-L1151 HydrophobicContact CD1-CD1 4.39Å; L1128-L1151 HydrophobicContact CD2-CB 4.01Å; L1128-L1151 HydrophobicContact CD2-CD1 3.8Å; L1128-L1151 HydrophobicContact CD2-CG 4.37Å; L1128-L1151 HydrophobicContact CG-CD1 3.94Å; L1128-F1168 HydrophobicContact CD1-CZ 4.33Å; L1128-G1201 VanDerWaalsContact CD2-C 3.42Å; L1128-V1202 HydrophobicContact CD1-CG2 4.09Å; L1128-V1202 HydrophobicContact CD2-CG2 3.96Å; L1128-L1205 HydrophobicContact CD2-CD1 3.64Å; L1128-L1205 HydrophobicContact CD2-CG 4.24Å; L1128-L1205 HydrophobicContact CG-CD1 3.87Å; L1128-Y1222 PolarHBondContact N-O 3.01Å; L1128-Y1222 WeakPolarHBondContact O-CA 3.24Å; L1128-Y1222 WeakPolarHBondContact O-CB 3.44Å; L1128-Y1222 WeakPolarHBondContact O-CD2 3.48Å; L1128-Y1222 PolarHBondContact O-N 2.96Å; L1128-F1224 HydrophobicContact CB-CD1 4.26Å; L1128-F1224 HydrophobicContact CB-CE1 4.1Å
1129	R	92.8	Very high	70.3	Confident	59.2 Å²	59.2	86.4 Å²	86.4	22%	0.223	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	129.7	-176	178.9	-168.2	-61.5	158.9	3.1	109.7	T1131 F1149 Y1150 Q1220 D1221	R1129-T1131 HydrophobicContact CG-CG2 4.13Å; R1129-T1131 PolarHBondContact O-N 2.84Å; R1129-F1149 CarbonylContact O-C 3.27Å; R1129-F1149 WeakPolarHBondContact O-CA 3.32Å; R1129-Y1150 HydrophobicContact CB-CD1 4.36Å; R1129-Y1150 PolarHBondContact N-O 3.14Å; R1129-Y1150 PolarHBondContact O-N 2.99Å; R1129-Q1220 WeakPolarHBondContact CG-O 3.36Å; R1129-D1221 IonicContact CZ-OD1 3.18Å; R1129-D1221 VanDerWaalsContact CZ-OD1 3.22Å; R1129-D1221 IonicContact CZ-OD2 3.74Å; R1129-D1221 IonicContact NE-OD1 3.12Å; R1129-D1221 PolarHBondContact NE-OD1 2.99Å; R1129-D1221 IonicContact NE-OD2 2.67Å; R1129-D1221 VanDerWaalsContact NH2-CG 3.33Å; R1129-D1221 IonicContact NH2-OD1 2.86Å; R1129-D1221 PolarHBondContact NH2-OD1 3.22Å; R1129-D1221 IonicContact NH2-OD2 3.06Å; R1129-D1221 PolarHBondContact NH2-OD2 3.18Å
1130	V	92.4	Very high	70.4	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	114.7	167.7	-177.5	0	0	0	0	108.1	I1133 P1147 T1148 F1149 L1205 L1209 V1216 L1218 N1219	V1130-I1133 HydrophobicContact CG1-CD1 4.29Å; V1130-I1133 HydrophobicContact CG1-CG1 3.83Å; V1130-P1147 HydrophobicContact CG1-CB 4.06Å; V1130-T1148 WeakPolarHBondContact CA-O 3.36Å; V1130-F1149 HydrophobicContact CG2-CD1 3.82Å; V1130-F1149 HydrophobicContact CG2-CE1 3.49Å; V1130-F1149 VanDerWaalsContact CG2-CE1 3.46Å; V1130-F1149 HydrophobicContact CG2-CZ 4.17Å; V1130-L1205 HydrophobicContact CG2-CD1 4.35Å; V1130-L1209 HydrophobicContact CG2-CD1 4.44Å; V1130-V1216 HydrophobicContact CB-CG1 4.13Å; V1130-V1216 HydrophobicContact CG2-CG1 3.71Å; V1130-L1218 HydrophobicContact CB-CD2 4.44Å; V1130-L1218 HydrophobicContact CG1-CD2 3.93Å; V1130-L1218 CarbonylContact O-C 3.53Å; V1130-L1218 WeakPolarHBondContact O-CA 3.39Å; V1130-N1219 PolarHBondContact O-N 3.32Å
1131	T	91.5	Very high	71	Confident	42 Å²	42	84.1 Å²	84.1	26%	0.258	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-30.5	-173.6	53.7	0	0	0	0	113.1	R1129 T1148 Y1150 N1219	R1129-T1131 HydrophobicContact CG-CG2 4.13Å; R1129-T1131 PolarHBondContact O-N 2.84Å; T1131-T1148 PolarHBondContact N-O 3.08Å; T1131-T1148 PolarHBondContact OG1-O 3.13Å; T1131-Y1150 HydrophobicContact CG2-CG 4.45Å; T1131-N1219 WeakPolarHBondContact CA-OD1 3.38Å; T1131-N1219 PolarHBondContact O-ND2 3.4Å
1132	K	90	Very high	71.2	Confident	108.4 Å²	108.4	80.9 Å²	80.9	47%	0.471	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	146.6	178.7	-165.8	179.9	-176.1	-169.5	0	109.4	E1134 P1147 T1148	K1132-E1134 HydrophobicContact CD-CG 3.92Å; K1132-E1134 VanDerWaalsContact CD-OE1 3.32Å; K1132-E1134 WeakPolarHBondContact CD-OE1 3.32Å; K1132-E1134 VanDerWaalsContact CE-CG 3.49Å; K1132-E1134 VanDerWaalsContact CE-OE1 3.26Å; K1132-E1134 WeakPolarHBondContact CE-OE1 3.35Å; K1132-E1134 HydrophobicContact CG-CG 4.22Å; K1132-E1134 IonicContact NZ-OE1 3.19Å; K1132-E1134 PolarHBondContact NZ-OE1 3.14Å; K1132-P1147 CarbonylContact O-C 3.57Å; K1132-P1147 WeakPolarHBondContact O-CA 3.43Å; K1132-T1148 PolarHBondContact O-N 2.96Å
1133	I	88.4	Confident	71.3	Confident	39.2 Å²	39.2	78 Å²	78	20%	0.201	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.5	164.1	-62.9	160.2	0	0	0	106.1	V1130 C1145 P1147 L1209 V1213 L1218	V1130-I1133 HydrophobicContact CG1-CD1 4.29Å; V1130-I1133 HydrophobicContact CG1-CG1 3.83Å; I1133-C1145 HydrophobicContact CG2-CB 4.12Å; I1133-P1147 HydrophobicContact CG1-CB 4.3Å; I1133-L1209 HydrophobicContact CD1-CD1 4.38Å; I1133-L1209 HydrophobicContact CD1-CD2 3.66Å; I1133-V1213 HydrophobicContact CD1-CG1 4.37Å; I1133-V1213 HydrophobicContact CG2-CG1 4.37Å; I1133-L1218 HydrophobicContact CD1-CD2 3.8Å; I1133-L1218 HydrophobicContact CD1-CG 4.42Å; I1133-L1218 HydrophobicContact CG1-CD2 3.98Å
1134	E	84.7	Confident	71.6	Confident	45.4 Å²	45.4	73.7 Å²	73.7	21%	0.212	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	150.3	171.9	-70.4	175.2	-172.4	0	0	109.7	K1132 C1145 R1146 R1169	K1132-E1134 HydrophobicContact CD-CG 3.92Å; K1132-E1134 VanDerWaalsContact CD-OE1 3.32Å; K1132-E1134 WeakPolarHBondContact CD-OE1 3.32Å; K1132-E1134 VanDerWaalsContact CE-CG 3.49Å; K1132-E1134 VanDerWaalsContact CE-OE1 3.26Å; K1132-E1134 WeakPolarHBondContact CE-OE1 3.35Å; K1132-E1134 HydrophobicContact CG-CG 4.22Å; K1132-E1134 IonicContact NZ-OE1 3.19Å; K1132-E1134 PolarHBondContact NZ-OE1 3.14Å; E1134-C1145 CarbonylContact O-C 3.56Å; E1134-C1145 VanDerWaalsContact O-CA 3.27Å; E1134-C1145 WeakPolarHBondContact O-CA 3.28Å; E1134-R1146 HydrophobicContact CB-CB 4.48Å; E1134-R1146 PolarHBondContact N-O 2.94Å; E1134-R1146 VanDerWaalsContact N-O 3.11Å; E1134-R1146 PolarHBondContact O-N 3.04Å; E1134-R1169 VanDerWaalsContact CD-NH1 3.33Å; E1134-R1169 VanDerWaalsContact CD-NH2 3.27Å; E1134-R1169 IonicContact OE1-CZ 3.33Å; E1134-R1169 IonicContact OE1-NH1 2.92Å; E1134-R1169 PolarHBondContact OE1-NH1 3.23Å; E1134-R1169 IonicContact OE1-NH2 3.29Å; E1134-R1169 PolarHBondContact OE1-NH2 3.17Å; E1134-R1169 IonicContact OE2-CZ 3.12Å; E1134-R1169 VanDerWaalsContact OE2-CZ 3.3Å; E1134-R1169 IonicContact OE2-NH1 2.97Å; E1134-R1169 PolarHBondContact OE2-NH1 3.22Å; E1134-R1169 IonicContact OE2-NH2 3.43Å; E1134-R1169 PolarHBondContact OE2-NH2 3.23Å
1135	R	75.6	Confident	72.1	Confident	171 Å²	171	71.8 Å²	71.8	65%	0.645	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	122	168	-72.5	-175.1	-165.8	159.4	-0.6	107.5	S1137 N1144 C1145	R1135-S1137 PolarHBondContact O-N 3.03Å; R1135-S1137 VanDerWaalsContact O-N 3.14Å; R1135-N1144 VanDerWaalsContact CA-O 3.31Å; R1135-N1144 WeakPolarHBondContact CA-O 3.38Å; R1135-C1145 HydrophobicContact CG-CB 4.48Å; R1135-C1145 VanDerWaalsContact CG-SG 3.55Å
1136	D	60.6	Low	72.4	Confident	65.4 Å²	65.4	70 Å²	70	35%	0.35	37%	0.372	S	S	.	.			trans	-73.7	91.9	-179.7	-73.8	-23.9	0	0	0	110.2	E1138 N1144 R1146	D1136-E1138 PolarHBondContact O-N 3.04Å; D1136-E1138 VanDerWaalsContact O-N 3.12Å; D1136-N1144 HydrophobicContact CB-CB 4.39Å; D1136-N1144 WeakPolarHBondContact CB-ND2 3.46Å; D1136-N1144 PolarHBondContact N-O 3.31Å; D1136-N1144 VanDerWaalsContact N-O 3.17Å; D1136-N1144 PolarHBondContact O-ND2 3.13Å; D1136-R1146 WeakPolarHBondContact OD1-CD 3.46Å; D1136-R1146 IonicContact OD1-NH1 3.55Å; D1136-R1146 PolarHBondContact OD1-NH1 2.8Å; D1136-R1146 WeakPolarHBondContact OD2-CD 3.38Å; D1136-R1146 IonicContact OD2-CZ 2.93Å; D1136-R1146 VanDerWaalsContact OD2-CZ 3.24Å; D1136-R1146 IonicContact OD2-NE 3.04Å; D1136-R1146 IonicContact OD2-NH1 2.98Å; D1136-R1146 PolarHBondContact OD2-NH1 3.28Å
1137	S	54.2	Low	72.6	Confident	102.2 Å²	102.2	69 Å²	69	72%	0.715	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	32.5	-175.8	58.1	0	0	0	0	115.2	R1135 S1139	R1135-S1137 PolarHBondContact O-N 3.03Å; R1135-S1137 VanDerWaalsContact O-N 3.14Å; S1137-S1139 VanDerWaalsContact C-N 3.29Å; S1137-S1139 PolarHBondContact O-N 2.83Å
1138	E	51.7	Low	72.7	Confident	170.4 Å²	170.4	68.8 Å²	68.8	80%	0.796	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-4.7	-171.6	-65.1	-176.9	133.1	0	0	114.8	D1136	D1136-E1138 PolarHBondContact O-N 3.04Å; D1136-E1138 VanDerWaalsContact O-N 3.12Å
1139	S	45.8	Very low	72.7	Confident	72 Å²	72	68.7 Å²	68.7	50%	0.503	37%	0.367	S	S	.	.			trans	-125.9	122.8	173.3	53.2	0	0	0	0	113.1	S1137 E1141 N1144	S1137-S1139 VanDerWaalsContact C-N 3.29Å; S1137-S1139 PolarHBondContact O-N 2.83Å; S1139-E1141 PolarHBondContact O-N 3.02Å; S1139-N1144 PolarHBondContact O-ND2 3.36Å; S1139-N1144 VanDerWaalsContact O-ND2 3.1Å; S1139-N1144 PolarHBondContact O-OD1 2.81Å; S1139-N1144 PolarHBondContact OG-ND2 3.11Å; S1139-N1144 PolarHBondContact OG-OD1 3.28Å
1140	C	39.1	Very low	72.7	Confident	125 Å²	125	67.8 Å²	67.8	85%	0.845	36%	0.364	S	S	*	.			trans	-87.7	44.5	-179.9	-82.7	0	0	0	0	113.4	N1144	C1140-N1144 HydrophobicContact CB-CB 4.44Å
1141	E	50.5	Low	72.7	Confident	136.4 Å²	136.4	67.8 Å²	67.8	64%	0.637	36%	0.364	S	S	*	.			trans	-79.7	138.7	176.6	-77	-83.5	142.9	0	0	111	S1139 G1143 N1144	S1139-E1141 PolarHBondContact O-N 3.02Å; E1141-G1143 PolarHBondContact O-N 3.11Å; E1141-N1144 WeakPolarHBondContact O-CB 3.36Å; E1141-N1144 PolarHBondContact O-N 2.91Å; E1141-N1144 VanDerWaalsContact O-N 3.09Å; E1141-N1144 PolarHBondContact O-OD1 3.31Å
1142	P	49.5	Very low	72.5	Confident	103.6 Å²	103.6	67.2 Å²	67.2	67%	0.673	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-62.4	-12.7	-176.6	4.5	-6.7	0	0	0	115.1	N1144 L1172 T1524	P1142-N1144 VanDerWaalsContact C-N 3.28Å; P1142-N1144 PolarHBondContact O-N 3Å; P1142-L1172 WeakPolarHBondContact O-CD1 3.42Å; P1142-T1524 HydrophobicContact CG-CG2 4.09Å
1143	G	56.9	Low	72.3	Confident	41.8 Å²	41.8	62.3 Å²	62.3	43%	0.431	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-73.2	-15.8	176.2	0	0	0	0	0	115.5	E1141 C1145	E1141-G1143 PolarHBondContact O-N 3.11Å; G1143-C1145 VanDerWaalsContact C-N 3.33Å; G1143-C1145 PolarHBondContact O-N 2.87Å; G1143-C1145 VanDerWaalsContact O-N 3.08Å
1144	N	66.3	Low	71.7	Confident	52.2 Å²	52.2	60.9 Å²	60.9	28%	0.279	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-80.9	18.9	-167	-96.5	33	0	0	0	116.2	R1135 D1136 S1139 C1140 E1141 P1142	R1135-N1144 VanDerWaalsContact CA-O 3.31Å; R1135-N1144 WeakPolarHBondContact CA-O 3.38Å; D1136-N1144 HydrophobicContact CB-CB 4.39Å; D1136-N1144 WeakPolarHBondContact CB-ND2 3.46Å; D1136-N1144 PolarHBondContact N-O 3.31Å; D1136-N1144 VanDerWaalsContact N-O 3.17Å; D1136-N1144 PolarHBondContact O-ND2 3.13Å; S1139-N1144 PolarHBondContact O-ND2 3.36Å; S1139-N1144 VanDerWaalsContact O-ND2 3.1Å; S1139-N1144 PolarHBondContact O-OD1 2.81Å; S1139-N1144 PolarHBondContact OG-ND2 3.11Å; S1139-N1144 PolarHBondContact OG-OD1 3.28Å; C1140-N1144 HydrophobicContact CB-CB 4.44Å; E1141-N1144 WeakPolarHBondContact O-CB 3.36Å; E1141-N1144 PolarHBondContact O-N 2.91Å; E1141-N1144 VanDerWaalsContact O-N 3.09Å; E1141-N1144 PolarHBondContact O-OD1 3.31Å; P1142-N1144 VanDerWaalsContact C-N 3.28Å; P1142-N1144 PolarHBondContact O-N 3Å
1145	C	75.8	Confident	71.1	Confident	11.2 Å²	11.2	59.7 Å²	59.7	8%	0.076	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	135.7	172.4	-57.9	0	0	0	0	111.4	I1133 E1134 R1135 G1143 P1147 L1172	I1133-C1145 HydrophobicContact CG2-CB 4.12Å; E1134-C1145 CarbonylContact O-C 3.56Å; E1134-C1145 VanDerWaalsContact O-CA 3.27Å; E1134-C1145 WeakPolarHBondContact O-CA 3.28Å; R1135-C1145 HydrophobicContact CG-CB 4.48Å; R1135-C1145 VanDerWaalsContact CG-SG 3.55Å; G1143-C1145 VanDerWaalsContact C-N 3.33Å; G1143-C1145 PolarHBondContact O-N 2.87Å; G1143-C1145 VanDerWaalsContact O-N 3.08Å; C1145-P1147 VanDerWaalsContact O-CD 3.3Å; C1145-P1147 WeakPolarHBondContact O-CD 3.32Å; C1145-L1172 HydrophobicContact CB-CD1 3.65Å; C1145-L1172 HydrophobicContact CB-CG 3.94Å; C1145-L1172 WeakPolarHBondContact O-CG 3.41Å; C1145-L1172 PolarHBondContact O-N 3.07Å; C1145-L1172 VanDerWaalsContact O-N 3.11Å
1146	R	85.9	Confident	70.7	Confident	81.6 Å²	81.6	55.5 Å²	55.5	31%	0.308	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	86.1	-176.2	-79.3	179.3	112.1	-172	3.4	111.3	E1134 D1136 R1169 C1170 N1171	E1134-R1146 HydrophobicContact CB-CB 4.48Å; E1134-R1146 PolarHBondContact N-O 2.94Å; E1134-R1146 VanDerWaalsContact N-O 3.11Å; E1134-R1146 PolarHBondContact O-N 3.04Å; D1136-R1146 WeakPolarHBondContact OD1-CD 3.46Å; D1136-R1146 IonicContact OD1-NH1 3.55Å; D1136-R1146 PolarHBondContact OD1-NH1 2.8Å; D1136-R1146 WeakPolarHBondContact OD2-CD 3.38Å; D1136-R1146 IonicContact OD2-CZ 2.93Å; D1136-R1146 VanDerWaalsContact OD2-CZ 3.24Å; D1136-R1146 IonicContact OD2-NE 3.04Å; D1136-R1146 IonicContact OD2-NH1 2.98Å; D1136-R1146 PolarHBondContact OD2-NH1 3.28Å; R1146-R1169 PolarHBondContact O-NH2 3.23Å; R1146-C1170 CarbonylContact C-O 3.5Å; R1146-C1170 VanDerWaalsContact CA-O 3.27Å; R1146-C1170 WeakPolarHBondContact CA-O 3.37Å; R1146-C1170 WeakPolarHBondContact CG-O 3.35Å; R1146-N1171 WeakPolarHBondContact CD-OD1 3.42Å; R1146-N1171 WeakPolarHBondContact CG-OD1 3.34Å; R1146-N1171 VanDerWaalsContact CZ-OD1 3.24Å; R1146-N1171 PolarHBondContact NE-OD1 3.19Å; R1146-N1171 PolarHBondContact NH2-OD1 2.98Å; R1146-N1171 VanDerWaalsContact NH2-OD1 3.09Å
1147	P	90.7	Very high	70.9	Confident	0.4 Å²	0.4	58.7 Å²	58.7	0%	0.003	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	138.1	174.6	24.1	-33.6	0	0	0	113.1	V1130 K1132 I1133 C1145 F1149 R1169 C1170 L1206 L1209	V1130-P1147 HydrophobicContact CG1-CB 4.06Å; K1132-P1147 CarbonylContact O-C 3.57Å; K1132-P1147 WeakPolarHBondContact O-CA 3.43Å; I1133-P1147 HydrophobicContact CG1-CB 4.3Å; C1145-P1147 VanDerWaalsContact O-CD 3.3Å; C1145-P1147 WeakPolarHBondContact O-CD 3.32Å; P1147-F1149 HydrophobicContact CB-CD2 4.43Å; P1147-F1149 HydrophobicContact CB-CE2 3.88Å; P1147-F1149 HydrophobicContact CB-CZ 4.2Å; P1147-F1149 HydrophobicContact CG-CE2 3.78Å; P1147-F1149 HydrophobicContact CG-CZ 4.22Å; P1147-R1169 WeakPolarHBondContact O-CA 3.16Å; P1147-C1170 VanDerWaalsContact CD-O 3.27Å; P1147-C1170 WeakPolarHBondContact CD-O 3.38Å; P1147-C1170 PolarHBondContact O-N 3.05Å; P1147-C1170 VanDerWaalsContact O-N 3.12Å; P1147-L1206 HydrophobicContact CG-CD2 3.63Å; P1147-L1209 HydrophobicContact CB-CD1 3.85Å; P1147-L1209 HydrophobicContact CG-CD1 3.95Å
1148	T	92.5	Very high	71.4	Confident	14.4 Å²	14.4	56.1 Å²	56.1	9%	0.088	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119.5	167.1	-55.6	0	0	0	0	108.7	V1130 T1131 K1132 T1167 F1168 R1169	V1130-T1148 WeakPolarHBondContact CA-O 3.36Å; T1131-T1148 PolarHBondContact N-O 3.08Å; T1131-T1148 PolarHBondContact OG1-O 3.13Å; K1132-T1148 PolarHBondContact O-N 2.96Å; T1148-T1167 HydrophobicContact CG2-CG2 3.68Å; T1148-F1168 CarbonylContact C-O 3.54Å; T1148-F1168 WeakPolarHBondContact CA-O 3.28Å; T1148-R1169 HydrophobicContact CG2-CG 4.28Å; T1148-R1169 PolarHBondContact OG1-NE 3.19Å
1149	F	92.8	Very high	71.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.9	177.2	-69.1	-85.5	0	0	0	110.7	L1128 R1129 V1130 P1147 T1167 F1168 C1170 V1202 L1205 L1206	L1128-F1149 HydrophobicContact CD1-CB 4.25Å; L1128-F1149 HydrophobicContact CD1-CD1 3.97Å; L1128-F1149 HydrophobicContact CD1-CG 4.48Å; L1128-F1149 HydrophobicContact CD2-CD1 4.4Å; L1128-F1149 HydrophobicContact CG-CD1 4.25Å; R1129-F1149 CarbonylContact O-C 3.27Å; R1129-F1149 WeakPolarHBondContact O-CA 3.32Å; V1130-F1149 HydrophobicContact CG2-CD1 3.82Å; V1130-F1149 HydrophobicContact CG2-CE1 3.49Å; V1130-F1149 VanDerWaalsContact CG2-CE1 3.46Å; V1130-F1149 HydrophobicContact CG2-CZ 4.17Å; P1147-F1149 HydrophobicContact CB-CD2 4.43Å; P1147-F1149 HydrophobicContact CB-CE2 3.88Å; P1147-F1149 HydrophobicContact CB-CZ 4.2Å; P1147-F1149 HydrophobicContact CG-CE2 3.78Å; P1147-F1149 HydrophobicContact CG-CZ 4.22Å; F1149-T1167 CarbonylContact O-C 3.46Å; F1149-T1167 VanDerWaalsContact O-CA 3.29Å; F1149-T1167 WeakPolarHBondContact O-CA 3.39Å; F1149-T1167 WeakPolarHBondContact O-CG2 3.5Å; F1149-F1168 HydrophobicContact CB-CD1 4.33Å; F1149-F1168 HydrophobicContact CB-CD2 4.13Å; F1149-F1168 HydrophobicContact CB-CE1 3.84Å; F1149-F1168 HydrophobicContact CB-CE2 3.61Å; F1149-F1168 HydrophobicContact CB-CG 4.4Å; F1149-F1168 HydrophobicContact CB-CZ 3.44Å; F1149-F1168 VanDerWaalsContact CB-CZ 3.42Å; F1149-F1168 HydrophobicContact CD2-CD2 4.41Å; F1149-F1168 AromaticContact CD2-CE2 3.92Å; F1149-F1168 HydrophobicContact CD2-CE2 3.92Å; F1149-F1168 HydrophobicContact CD2-CZ 4.43Å; F1149-F1168 AromaticContact CG-CE2 3.9Å; F1149-F1168 HydrophobicContact CG-CE2 3.96Å; F1149-F1168 AromaticContact CG-CZ 3.97Å; F1149-F1168 HydrophobicContact CG-CZ 4.07Å; F1149-F1168 PolarHBondContact N-O 3.2Å; F1149-F1168 PolarHBondContact O-N 3.02Å; F1149-C1170 HydrophobicContact CD2-CB 4.39Å; F1149-C1170 HydrophobicContact CE2-CB 4.06Å; F1149-V1202 HydrophobicContact CD1-CG2 4.3Å; F1149-V1202 HydrophobicContact CD2-CG1 4.19Å; F1149-V1202 HydrophobicContact CE1-CG1 4.32Å; F1149-V1202 HydrophobicContact CE1-CG2 4.49Å; F1149-V1202 HydrophobicContact CE2-CG1 3.84Å; F1149-V1202 HydrophobicContact CG-CG2 4.43Å; F1149-V1202 HydrophobicContact CZ-CG1 3.92Å; F1149-L1205 HydrophobicContact CD1-CD1 4.43Å; F1149-L1205 HydrophobicContact CE1-CB 3.78Å; F1149-L1205 HydrophobicContact CE1-CD1 3.9Å; F1149-L1205 HydrophobicContact CE1-CG 4.47Å; F1149-L1205 HydrophobicContact CZ-CB 4.23Å; F1149-L1206 HydrophobicContact CE2-CD2 3.98Å; F1149-L1206 HydrophobicContact CE2-CG 4.23Å; F1149-L1206 HydrophobicContact CZ-CD2 4.05Å; F1149-L1206 HydrophobicContact CZ-CG 4.05Å
1150	Y	92.6	Very high	72.7	Confident	41.4 Å²	41.4	53.2 Å²	53.2	16%	0.162	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.5	164.5	174.3	-86.5	0	0	0	108.4	L1128 R1129 T1131 E1152 K1165 T1167	L1128-Y1150 CarbonylContact C-O 3.33Å; L1128-Y1150 WeakPolarHBondContact CA-O 3.24Å; R1129-Y1150 HydrophobicContact CB-CD1 4.36Å; R1129-Y1150 PolarHBondContact N-O 3.14Å; R1129-Y1150 PolarHBondContact O-N 2.99Å; T1131-Y1150 HydrophobicContact CG2-CG 4.45Å; Y1150-E1152 HydrophobicContact CD1-CB 4.45Å; Y1150-E1152 HydrophobicContact CE1-CB 3.74Å; Y1150-E1152 WeakPolarHBondContact CE1-OE2 3.33Å; Y1150-E1152 PolarHBondContact OH-OE2 2.93Å; Y1150-K1165 HydrophobicContact CE2-CB 4.27Å; Y1150-K1165 WeakPolarHBondContact OH-CD 3.36Å; Y1150-K1165 WeakPolarHBondContact OH-CG 3.35Å; Y1150-K1165 PolarHBondContact OH-NZ 3.02Å; Y1150-K1165 VanDerWaalsContact OH-NZ 3.1Å; Y1150-T1167 WeakPolarHBondContact CD2-OG1 3.34Å
1151	L	90.9	Very high	73.8	Confident	0.2 Å²	0.2	53 Å²	53	0%	0.001	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.5	-178.5	171.2	60.4	0	0	0	109.3	I1127 L1128 M1153 K1165 I1166 F1168 L1181 A1198 F1224	I1127-L1151 CarbonylContact O-C 3.55Å; I1127-L1151 WeakPolarHBondContact O-CA 3.33Å; L1128-L1151 HydrophobicContact CD1-CB 4.19Å; L1128-L1151 HydrophobicContact CD1-CD1 4.39Å; L1128-L1151 HydrophobicContact CD2-CB 4.01Å; L1128-L1151 HydrophobicContact CD2-CD1 3.8Å; L1128-L1151 HydrophobicContact CD2-CG 4.37Å; L1128-L1151 HydrophobicContact CG-CD1 3.94Å; L1151-M1153 HydrophobicContact CD1-CE 4.07Å; L1151-M1153 HydrophobicContact CD1-CG 3.67Å; L1151-M1153 HydrophobicContact CD1-SD 3.99Å; L1151-M1153 HydrophobicContact CD2-CE 3.58Å; L1151-M1153 VanDerWaalsContact CD2-CE 3.47Å; L1151-M1153 HydrophobicContact CD2-CG 4.43Å; L1151-M1153 HydrophobicContact CD2-SD 3.94Å; L1151-M1153 HydrophobicContact CG-CE 3.8Å; L1151-M1153 HydrophobicContact CG-CG 3.87Å; L1151-M1153 HydrophobicContact CG-SD 4.05Å; L1151-K1165 CarbonylContact O-C 3.53Å; L1151-K1165 WeakPolarHBondContact O-CA 3.36Å; L1151-I1166 HydrophobicContact CB-CB 4.47Å; L1151-I1166 PolarHBondContact N-O 3.1Å; L1151-I1166 PolarHBondContact O-N 3Å; L1151-F1168 HydrophobicContact CB-CE1 3.91Å; L1151-F1168 HydrophobicContact CD2-CE1 4.29Å; L1151-L1181 HydrophobicContact CD2-CD1 4.09Å; L1151-L1181 HydrophobicContact CD2-CD2 4.48Å; L1151-A1198 HydrophobicContact CD1-CB 4.46Å; L1151-A1198 HydrophobicContact CD2-CB 3.88Å; L1151-F1224 HydrophobicContact CD1-CE1 3.84Å; L1151-F1224 HydrophobicContact CD1-CZ 3.84Å
1152	E	88.3	Confident	74.6	Confident	28.2 Å²	28.2	51.6 Å²	51.6	13%	0.132	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129	176.9	177.7	167.6	162.1	0	0	110.4	Y1126 I1127 Y1150 L1163 W1164 K1165	Y1126-E1152 CarbonylContact C-O 3.56Å; Y1126-E1152 WeakPolarHBondContact CA-O 3.32Å; I1127-E1152 HydrophobicContact CB-CB 4.34Å; I1127-E1152 PolarHBondContact N-O 3.13Å; I1127-E1152 PolarHBondContact O-N 3.06Å; Y1150-E1152 HydrophobicContact CD1-CB 4.45Å; Y1150-E1152 HydrophobicContact CE1-CB 3.74Å; Y1150-E1152 WeakPolarHBondContact CE1-OE2 3.33Å; Y1150-E1152 PolarHBondContact OH-OE2 2.93Å; E1152-L1163 HydrophobicContact CG-CB 4.07Å; E1152-L1163 HydrophobicContact CG-CD2 4.23Å; E1152-W1164 CarbonylContact C-O 3.05Å; E1152-W1164 VanDerWaalsContact CA-O 3.28Å; E1152-W1164 WeakPolarHBondContact CA-O 3.38Å; E1152-K1165 HydrophobicContact CB-CG 4.36Å; E1152-K1165 VanDerWaalsContact CD-NZ 3.3Å; E1152-K1165 HydrophobicContact CG-CG 4.15Å; E1152-K1165 WeakPolarHBondContact OE1-CE 2.86Å; E1152-K1165 IonicContact OE1-NZ 3Å; E1152-K1165 PolarHBondContact OE1-NZ 3.03Å; E1152-K1165 IonicContact OE2-NZ 2.85Å; E1152-K1165 PolarHBondContact OE2-NZ 3.21Å
1153	M	85.2	Confident	75.8	Confident	5.6 Å²	5.6	50.4 Å²	50.4	3%	0.028	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	148.5	-175.7	24.3	-177.8	31.8	0	0	111.6	Y1126 L1151 L1163 W1164 I1166 F1182 I1194 A1198	Y1126-M1153 HydrophobicContact CD1-CB 3.49Å; Y1126-M1153 VanDerWaalsContact CD1-CB 3.47Å; Y1126-M1153 HydrophobicContact CD1-CE 4.19Å; Y1126-M1153 HydrophobicContact CD1-CG 4.06Å; Y1126-M1153 HydrophobicContact CD1-SD 3.98Å; Y1126-M1153 HydrophobicContact CD2-CB 3.76Å; Y1126-M1153 HydrophobicContact CD2-CG 3.61Å; Y1126-M1153 HydrophobicContact CD2-SD 4.17Å; Y1126-M1153 HydrophobicContact CE1-CB 3.67Å; Y1126-M1153 HydrophobicContact CE1-CE 4.19Å; Y1126-M1153 HydrophobicContact CE1-CG 4.29Å; Y1126-M1153 HydrophobicContact CE1-SD 3.95Å; Y1126-M1153 VanDerWaalsContact CE1-SD 3.51Å; Y1126-M1153 HydrophobicContact CE2-CB 3.84Å; Y1126-M1153 HydrophobicContact CE2-CG 3.95Å; Y1126-M1153 HydrophobicContact CE2-SD 4.1Å; Y1126-M1153 HydrophobicContact CG-CB 4.25Å; Y1126-M1153 HydrophobicContact CG-CG 3.63Å; Y1126-M1153 HydrophobicContact CG-SD 3.97Å; L1151-M1153 HydrophobicContact CD1-CE 4.07Å; L1151-M1153 HydrophobicContact CD1-CG 3.67Å; L1151-M1153 HydrophobicContact CD1-SD 3.99Å; L1151-M1153 HydrophobicContact CD2-CE 3.58Å; L1151-M1153 VanDerWaalsContact CD2-CE 3.47Å; L1151-M1153 HydrophobicContact CD2-CG 4.43Å; L1151-M1153 HydrophobicContact CD2-SD 3.94Å; L1151-M1153 HydrophobicContact CG-CE 3.8Å; L1151-M1153 HydrophobicContact CG-CG 3.87Å; L1151-M1153 HydrophobicContact CG-SD 4.05Å; M1153-L1163 CarbonylContact O-C 3.48Å; M1153-L1163 VanDerWaalsContact O-CA 3.3Å; M1153-L1163 WeakPolarHBondContact O-CA 3.34Å; M1153-L1163 WeakPolarHBondContact O-CD2 3.47Å; M1153-W1164 HydrophobicContact CB-CB 4.41Å; M1153-W1164 HydrophobicContact CE-CB 4.13Å; M1153-W1164 HydrophobicContact CG-CB 3.84Å; M1153-W1164 PolarHBondContact N-O 3.17Å; M1153-W1164 PolarHBondContact O-N 3.25Å; M1153-W1164 HydrophobicContact SD-CB 4.49Å; M1153-I1166 HydrophobicContact CE-CD1 4.33Å; M1153-F1182 HydrophobicContact CE-CE1 3.7Å; M1153-F1182 HydrophobicContact CE-CE2 4.11Å; M1153-F1182 HydrophobicContact CE-CZ 3.76Å; M1153-F1182 VanDerWaalsContact CE-CZ 3.47Å; M1153-F1182 HydrophobicContact SD-CE1 4.32Å; M1153-F1182 HydrophobicContact SD-CE2 4.4Å; M1153-F1182 HydrophobicContact SD-CZ 3.79Å; M1153-F1182 VanDerWaalsContact SD-CZ 3.58Å; M1153-I1194 HydrophobicContact CE-CG2 3.89Å; M1153-I1194 HydrophobicContact SD-CG2 3.61Å; M1153-I1194 WeakPolarHBondContact SD-CG2 3.34Å; M1153-A1198 HydrophobicContact CE-CB 4.36Å; M1153-A1198 HydrophobicContact SD-CB 3.96Å
1154	P	77	Confident	76.8	Confident	10.8 Å²	10.8	54.6 Å²	54.6	7%	0.07	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	140.9	172.7	22.5	-25	0	0	0	111.4	P1124 R1125 Y1126 M1156 P1159 L1163	P1124-P1154 HydrophobicContact CB-CB 4Å; P1124-P1154 HydrophobicContact CB-CG 3.72Å; P1124-P1154 VanDerWaalsContact CB-CG 3.4Å; P1124-P1154 HydrophobicContact CG-CB 4.09Å; P1124-P1154 HydrophobicContact CG-CG 4.31Å; R1125-P1154 VanDerWaalsContact O-CD 3.3Å; R1125-P1154 WeakPolarHBondContact O-CD 3.22Å; Y1126-P1154 HydrophobicContact CD2-CG 4.31Å; Y1126-P1154 HydrophobicContact CE1-CG 4.14Å; Y1126-P1154 HydrophobicContact CE2-CG 4.04Å; P1154-M1156 HydrophobicContact CB-CE 3.71Å; P1154-M1156 HydrophobicContact CG-CE 3.72Å; P1154-M1156 PolarHBondContact O-N 3.14Å; P1154-P1159 HydrophobicContact CB-CB 3.83Å; P1154-L1163 HydrophobicContact CB-CD2 4.29Å
1155	D	72	Confident	77.7	Confident	19 Å²	19	57.6 Å²	57.6	10%	0.102	28%	0.284	C	S	.	.			trans	-64.7	130.8	165	-174.9	-12	0	0	0	110.5	N1157 N1158 P1159 E1162 W1164	D1155-N1157 VanDerWaalsContact C-N 3.33Å; D1155-N1157 PolarHBondContact O-N 3.31Å; D1155-N1157 VanDerWaalsContact OD1-CA 3.31Å; D1155-N1157 WeakPolarHBondContact OD1-CA 3.25Å; D1155-N1157 WeakPolarHBondContact OD1-CB 3.48Å; D1155-N1157 PolarHBondContact OD1-N 3.13Å; D1155-N1157 PolarHBondContact OD1-ND2 3.35Å; D1155-N1157 WeakPolarHBondContact OD2-CA 3.35Å; D1155-N1157 VanDerWaalsContact OD2-CB 3.3Å; D1155-N1157 WeakPolarHBondContact OD2-CB 3.29Å; D1155-N1157 PolarHBondContact OD2-N 3.19Å; D1155-N1157 VanDerWaalsContact OD2-N 3.09Å; D1155-N1158 HydrophobicContact CB-CB 4.08Å; D1155-N1158 VanDerWaalsContact CG-CB 3.47Å; D1155-N1158 CarbonylContact O-C 3.52Å; D1155-N1158 PolarHBondContact O-N 2.93Å; D1155-N1158 PolarHBondContact OD1-N 3.22Å; D1155-N1158 VanDerWaalsContact OD2-CB 3.28Å; D1155-N1158 WeakPolarHBondContact OD2-CB 3.28Å; D1155-N1158 PolarHBondContact OD2-N 3.05Å; D1155-P1159 WeakPolarHBondContact O-CA 3.38Å; D1155-P1159 WeakPolarHBondContact O-CB 3.32Å; D1155-P1159 VanDerWaalsContact O-CD 3.24Å; D1155-P1159 WeakPolarHBondContact O-CD 3.39Å; D1155-P1159 VanDerWaalsContact O-N 3.09Å; D1155-E1162 HydrophobicContact CB-CB 3.9Å; D1155-E1162 HydrophobicContact CB-CG 4.13Å; D1155-E1162 WeakPolarHBondContact CB-O 3.34Å; D1155-E1162 PolarHBondContact N-O 3.22Å; D1155-W1164 VanDerWaalsContact CA-CD1 3.41Å; D1155-W1164 VanDerWaalsContact CG-NE1 3.31Å; D1155-W1164 PolarHBondContact OD1-NE1 3.15Å; D1155-W1164 PolarHBondContact OD2-NE1 3.02Å
1156	M	66.7	Low	78.1	Confident	82.8 Å²	82.8	58.7 Å²	58.7	41%	0.408	29%	0.289	S	S	.	.	S	Bend	trans	-73.7	-25.2	178.8	-77.8	-158.1	58.9	0	0	113.2	P1124 P1154 T1188 V1190 N1191 I1194	P1124-M1156 HydrophobicContact CB-SD 4.49Å; P1154-M1156 HydrophobicContact CB-CE 3.71Å; P1154-M1156 HydrophobicContact CG-CE 3.72Å; P1154-M1156 PolarHBondContact O-N 3.14Å; M1156-T1188 HydrophobicContact CE-CG2 4.44Å; M1156-V1190 HydrophobicContact CB-CG1 4.47Å; M1156-V1190 HydrophobicContact CE-CB 3.65Å; M1156-V1190 HydrophobicContact CE-CG1 3.99Å; M1156-V1190 HydrophobicContact CE-CG2 4.14Å; M1156-V1190 HydrophobicContact CG-CG1 4.25Å; M1156-V1190 HydrophobicContact SD-CB 3.67Å; M1156-V1190 HydrophobicContact SD-CG1 3.74Å; M1156-V1190 VanDerWaalsContact SD-CG1 3.53Å; M1156-N1191 PolarHBondContact SD-OD1 3Å; M1156-I1194 HydrophobicContact CB-CD1 4.5Å; M1156-I1194 HydrophobicContact CG-CD1 4.19Å; M1156-I1194 HydrophobicContact SD-CD1 3.94Å; M1156-I1194 HydrophobicContact SD-CG1 4.27Å
1157	N	64.9	Low	78.2	Confident	133 Å²	133	59 Å²	59	71%	0.711	30%	0.299	S	S	*	.	S	Bend	trans	-91.4	-25.8	-178.7	-53.6	-62.4	0	0	0	111.8	D1155 P1159	D1155-N1157 VanDerWaalsContact C-N 3.33Å; D1155-N1157 PolarHBondContact O-N 3.31Å; D1155-N1157 VanDerWaalsContact OD1-CA 3.31Å; D1155-N1157 WeakPolarHBondContact OD1-CA 3.25Å; D1155-N1157 WeakPolarHBondContact OD1-CB 3.48Å; D1155-N1157 PolarHBondContact OD1-N 3.13Å; D1155-N1157 PolarHBondContact OD1-ND2 3.35Å; D1155-N1157 WeakPolarHBondContact OD2-CA 3.35Å; D1155-N1157 VanDerWaalsContact OD2-CB 3.3Å; D1155-N1157 WeakPolarHBondContact OD2-CB 3.29Å; D1155-N1157 PolarHBondContact OD2-N 3.19Å; D1155-N1157 VanDerWaalsContact OD2-N 3.09Å; N1157-P1159 VanDerWaalsContact C-CD 3.46Å; N1157-P1159 WeakPolarHBondContact O-CD 3.43Å
1158	N	65.2	Low	78.1	Confident	47.2 Å²	47.2	60.5 Å²	60.5	25%	0.252	31%	0.306	S	S	.	.			trans	-121	78.1	-174.4	-167.1	-3.1	0	0	0	112.9	D1155 N1160 N1161 E1162	D1155-N1158 HydrophobicContact CB-CB 4.08Å; D1155-N1158 VanDerWaalsContact CG-CB 3.47Å; D1155-N1158 CarbonylContact O-C 3.52Å; D1155-N1158 PolarHBondContact O-N 2.93Å; D1155-N1158 PolarHBondContact OD1-N 3.22Å; D1155-N1158 VanDerWaalsContact OD2-CB 3.28Å; D1155-N1158 WeakPolarHBondContact OD2-CB 3.28Å; D1155-N1158 PolarHBondContact OD2-N 3.05Å; N1158-N1160 PolarHBondContact O-N 3.1Å; N1158-N1160 VanDerWaalsContact O-N 3.15Å; N1158-N1160 VanDerWaalsContact OD1-CB 3.27Å; N1158-N1160 WeakPolarHBondContact OD1-CB 3.35Å; N1158-N1160 PolarHBondContact OD1-N 3.14Å; N1158-N1161 PolarHBondContact O-N 3.13Å; N1158-N1161 VanDerWaalsContact O-N 3.12Å; N1158-N1161 WeakPolarHBondContact OD1-CB 3.43Å; N1158-N1161 PolarHBondContact OD1-ND2 2.78Å; N1158-N1161 VanDerWaalsContact OD1-ND2 3.14Å; N1158-E1162 HydrophobicContact CB-CB 4.2Å; N1158-E1162 PolarHBondContact ND2-OE1 3.44Å; N1158-E1162 PolarHBondContact ND2-OE2 3.24Å; N1158-E1162 PolarHBondContact O-N 2.96Å; N1158-E1162 VanDerWaalsContact O-N 3.13Å
1159	P	62.2	Low	77.9	Confident	81.2 Å²	81.2	65.1 Å²	65.1	53%	0.527	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-5.1	-172.4	27.1	-35.9	0	0	0	114.8	P1124 P1154 D1155 N1157 N1161	P1124-P1159 VanDerWaalsContact CB-O 3.31Å; P1124-P1159 WeakPolarHBondContact CB-O 3.42Å; P1124-P1159 HydrophobicContact CG-CB 4.12Å; P1124-P1159 VanDerWaalsContact CG-O 3.26Å; P1124-P1159 WeakPolarHBondContact CG-O 3.48Å; P1154-P1159 HydrophobicContact CB-CB 3.83Å; D1155-P1159 WeakPolarHBondContact O-CA 3.38Å; D1155-P1159 WeakPolarHBondContact O-CB 3.32Å; D1155-P1159 VanDerWaalsContact O-CD 3.24Å; D1155-P1159 WeakPolarHBondContact O-CD 3.39Å; D1155-P1159 VanDerWaalsContact O-N 3.09Å; N1157-P1159 VanDerWaalsContact C-CD 3.46Å; N1157-P1159 WeakPolarHBondContact O-CD 3.43Å; P1159-N1161 PolarHBondContact O-N 3.04Å
1160	N	62.1	Low	77.6	Confident	101.2 Å²	101.2	65.2 Å²	65.2	54%	0.541	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-11.5	-179.1	-65.2	-56.9	0	0	0	113.4	K1121 N1158 E1162	K1121-N1160 VanDerWaalsContact CD-OD1 3.26Å; K1121-N1160 WeakPolarHBondContact CD-OD1 3.47Å; K1121-N1160 WeakPolarHBondContact CE-OD1 3.41Å; K1121-N1160 VanDerWaalsContact NZ-CG 3.31Å; K1121-N1160 PolarHBondContact NZ-O 2.84Å; K1121-N1160 PolarHBondContact NZ-OD1 3.06Å; N1158-N1160 PolarHBondContact O-N 3.1Å; N1158-N1160 VanDerWaalsContact O-N 3.15Å; N1158-N1160 VanDerWaalsContact OD1-CB 3.27Å; N1158-N1160 WeakPolarHBondContact OD1-CB 3.35Å; N1158-N1160 PolarHBondContact OD1-N 3.14Å; N1160-E1162 HydrophobicContact CB-CG 3.98Å; N1160-E1162 VanDerWaalsContact CB-OE1 3.27Å; N1160-E1162 WeakPolarHBondContact CB-OE1 3.23Å; N1160-E1162 PolarHBondContact ND2-OE1 3.39Å; N1160-E1162 PolarHBondContact O-N 3.05Å
1161	N	60.7	Low	77.4	Confident	121.8 Å²	121.8	65.5 Å²	65.5	65%	0.651	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136	-0.5	-177.7	-94.4	8.4	0	0	0	112.8	K1121 N1158 P1159	K1121-N1161 PolarHBondContact NZ-OD1 3.25Å; N1158-N1161 PolarHBondContact O-N 3.13Å; N1158-N1161 VanDerWaalsContact O-N 3.12Å; N1158-N1161 WeakPolarHBondContact OD1-CB 3.43Å; N1158-N1161 PolarHBondContact OD1-ND2 2.78Å; N1158-N1161 VanDerWaalsContact OD1-ND2 3.14Å; P1159-N1161 PolarHBondContact O-N 3.04Å
1162	E	67.7	Low	77.1	Confident	106 Å²	106	66.2 Å²	66.2	50%	0.495	33%	0.331	S	S	.	.			trans	-105.3	144.4	-175.2	-131.4	160.9	-162.9	0	0	111.5	D1155 N1158 N1160	D1155-E1162 HydrophobicContact CB-CB 3.9Å; D1155-E1162 HydrophobicContact CB-CG 4.13Å; D1155-E1162 WeakPolarHBondContact CB-O 3.34Å; D1155-E1162 PolarHBondContact N-O 3.22Å; N1158-E1162 HydrophobicContact CB-CB 4.2Å; N1158-E1162 PolarHBondContact ND2-OE1 3.44Å; N1158-E1162 PolarHBondContact ND2-OE2 3.24Å; N1158-E1162 PolarHBondContact O-N 2.96Å; N1158-E1162 VanDerWaalsContact O-N 3.13Å; N1160-E1162 HydrophobicContact CB-CG 3.98Å; N1160-E1162 VanDerWaalsContact CB-OE1 3.27Å; N1160-E1162 WeakPolarHBondContact CB-OE1 3.23Å; N1160-E1162 PolarHBondContact ND2-OE1 3.39Å; N1160-E1162 PolarHBondContact O-N 3.05Å
1163	L	75.1	Confident	76.8	Confident	77.4 Å²	77.4	68.9 Å²	68.9	41%	0.405	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.2	-170.9	-71.4	157.2	0	0	0	109.4	E1152 M1153 P1154 K1165	E1152-L1163 HydrophobicContact CG-CB 4.07Å; E1152-L1163 HydrophobicContact CG-CD2 4.23Å; M1153-L1163 CarbonylContact O-C 3.48Å; M1153-L1163 VanDerWaalsContact O-CA 3.3Å; M1153-L1163 WeakPolarHBondContact O-CA 3.34Å; M1153-L1163 WeakPolarHBondContact O-CD2 3.47Å; P1154-L1163 HydrophobicContact CB-CD2 4.29Å; L1163-K1165 PolarHBondContact O-N 3.4Å
1164	W	77.5	Confident	76.8	Confident	130.2 Å²	130.2	69.6 Å²	69.6	49%	0.493	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	127.2	171.2	-70.9	70.6	0	0	0	109	E1152 M1153 D1155 F1182	E1152-W1164 CarbonylContact C-O 3.05Å; E1152-W1164 VanDerWaalsContact CA-O 3.28Å; E1152-W1164 WeakPolarHBondContact CA-O 3.38Å; M1153-W1164 HydrophobicContact CB-CB 4.41Å; M1153-W1164 HydrophobicContact CE-CB 4.13Å; M1153-W1164 HydrophobicContact CG-CB 3.84Å; M1153-W1164 PolarHBondContact N-O 3.17Å; M1153-W1164 PolarHBondContact O-N 3.25Å; M1153-W1164 HydrophobicContact SD-CB 4.49Å; D1155-W1164 VanDerWaalsContact CA-CD1 3.41Å; D1155-W1164 VanDerWaalsContact CG-NE1 3.31Å; D1155-W1164 PolarHBondContact OD1-NE1 3.15Å; D1155-W1164 PolarHBondContact OD2-NE1 3.02Å; W1164-F1182 AromaticContact CE3-CE1 3.74Å; W1164-F1182 HydrophobicContact CE3-CE1 3.87Å; W1164-F1182 AromaticContact CZ3-CD1 3.99Å; W1164-F1182 HydrophobicContact CZ3-CD1 3.99Å; W1164-F1182 AromaticContact CZ3-CE1 3.6Å; W1164-F1182 HydrophobicContact CZ3-CE1 3.84Å
1165	K	85.1	Confident	77.2	Confident	115.8 Å²	115.8	72.1 Å²	72.1	50%	0.503	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	108.7	-178.9	-67.3	168.2	-176.9	-86.4	0	108.4	Y1150 L1151 E1152 L1163	Y1150-K1165 HydrophobicContact CE2-CB 4.27Å; Y1150-K1165 WeakPolarHBondContact OH-CD 3.36Å; Y1150-K1165 WeakPolarHBondContact OH-CG 3.35Å; Y1150-K1165 PolarHBondContact OH-NZ 3.02Å; Y1150-K1165 VanDerWaalsContact OH-NZ 3.1Å; L1151-K1165 CarbonylContact O-C 3.53Å; L1151-K1165 WeakPolarHBondContact O-CA 3.36Å; E1152-K1165 HydrophobicContact CB-CG 4.36Å; E1152-K1165 VanDerWaalsContact CD-NZ 3.3Å; E1152-K1165 HydrophobicContact CG-CG 4.15Å; E1152-K1165 WeakPolarHBondContact OE1-CE 2.86Å; E1152-K1165 IonicContact OE1-NZ 3Å; E1152-K1165 PolarHBondContact OE1-NZ 3.03Å; E1152-K1165 IonicContact OE2-NZ 2.85Å; E1152-K1165 PolarHBondContact OE2-NZ 3.21Å; L1163-K1165 PolarHBondContact O-N 3.4Å
1166	I	84.6	Confident	77.8	Confident	35 Å²	35	74.4 Å²	74.4	18%	0.179	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	132	-175	-51.6	178.3	0	0	0	108.1	L1151 M1153 F1168 F1182	L1151-I1166 HydrophobicContact CB-CB 4.47Å; L1151-I1166 PolarHBondContact N-O 3.1Å; L1151-I1166 PolarHBondContact O-N 3Å; M1153-I1166 HydrophobicContact CE-CD1 4.33Å; I1166-F1168 HydrophobicContact CG2-CD1 4.09Å; I1166-F1182 HydrophobicContact CD1-CD1 4.24Å; I1166-F1182 HydrophobicContact CD1-CE1 3.86Å; I1166-F1182 VanDerWaalsContact CD1-CE1 3.48Å; I1166-F1182 HydrophobicContact CD1-CE2 4.25Å; I1166-F1182 HydrophobicContact CD1-CZ 3.79Å; I1166-F1182 VanDerWaalsContact CD1-CZ 3.47Å
1167	T	87.5	Confident	78.5	Confident	87 Å²	87	77.4 Å²	77.4	53%	0.534	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.8	172.3	-56.4	0	0	0	0	109.1	T1148 F1149 Y1150	T1148-T1167 HydrophobicContact CG2-CG2 3.68Å; F1149-T1167 CarbonylContact O-C 3.46Å; F1149-T1167 VanDerWaalsContact O-CA 3.29Å; F1149-T1167 WeakPolarHBondContact O-CA 3.39Å; F1149-T1167 WeakPolarHBondContact O-CG2 3.5Å; Y1150-T1167 WeakPolarHBondContact CD2-OG1 3.34Å
1168	F	89.6	Confident	79.4	Confident	31.6 Å²	31.6	75 Å²	75	14%	0.139	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	164	-176.3	57.6	-81.2	0	0	0	110.6	L1128 T1148 F1149 L1151 I1166 I1179 L1181 V1202	L1128-F1168 HydrophobicContact CD1-CZ 4.33Å; T1148-F1168 CarbonylContact C-O 3.54Å; T1148-F1168 WeakPolarHBondContact CA-O 3.28Å; F1149-F1168 HydrophobicContact CB-CD1 4.33Å; F1149-F1168 HydrophobicContact CB-CD2 4.13Å; F1149-F1168 HydrophobicContact CB-CE1 3.84Å; F1149-F1168 HydrophobicContact CB-CE2 3.61Å; F1149-F1168 HydrophobicContact CB-CG 4.4Å; F1149-F1168 HydrophobicContact CB-CZ 3.44Å; F1149-F1168 VanDerWaalsContact CB-CZ 3.42Å; F1149-F1168 HydrophobicContact CD2-CD2 4.41Å; F1149-F1168 AromaticContact CD2-CE2 3.92Å; F1149-F1168 HydrophobicContact CD2-CE2 3.92Å; F1149-F1168 HydrophobicContact CD2-CZ 4.43Å; F1149-F1168 AromaticContact CG-CE2 3.9Å; F1149-F1168 HydrophobicContact CG-CE2 3.96Å; F1149-F1168 AromaticContact CG-CZ 3.97Å; F1149-F1168 HydrophobicContact CG-CZ 4.07Å; F1149-F1168 PolarHBondContact N-O 3.2Å; F1149-F1168 PolarHBondContact O-N 3.02Å; L1151-F1168 HydrophobicContact CB-CE1 3.91Å; L1151-F1168 HydrophobicContact CD2-CE1 4.29Å; I1166-F1168 HydrophobicContact CG2-CD1 4.09Å; F1168-I1179 HydrophobicContact CE2-CG2 4.38Å; F1168-L1181 HydrophobicContact CD1-CD2 3.78Å; F1168-L1181 HydrophobicContact CD2-CD2 3.99Å; F1168-L1181 HydrophobicContact CE1-CD2 3.54Å; F1168-L1181 VanDerWaalsContact CE1-CD2 3.48Å; F1168-L1181 HydrophobicContact CE2-CD2 3.76Å; F1168-L1181 HydrophobicContact CG-CD2 4.01Å; F1168-L1181 HydrophobicContact CZ-CD2 3.53Å; F1168-L1181 VanDerWaalsContact CZ-CD2 3.46Å; F1168-V1202 HydrophobicContact CE2-CG1 4.27Å; F1168-V1202 HydrophobicContact CE2-CG2 3.71Å; F1168-V1202 HydrophobicContact CZ-CG2 3.49Å; F1168-V1202 VanDerWaalsContact CZ-CG2 3.47Å
1169	R	88.3	Confident	80.3	Confident	110.8 Å²	110.8	73.1 Å²	73.1	42%	0.418	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142.6	177.2	-69.1	-179.3	132.9	-165	-5.4	109.8	E1134 R1146 P1147 T1148	E1134-R1169 VanDerWaalsContact CD-NH1 3.33Å; E1134-R1169 VanDerWaalsContact CD-NH2 3.27Å; E1134-R1169 IonicContact OE1-CZ 3.33Å; E1134-R1169 IonicContact OE1-NH1 2.92Å; E1134-R1169 PolarHBondContact OE1-NH1 3.23Å; E1134-R1169 IonicContact OE1-NH2 3.29Å; E1134-R1169 PolarHBondContact OE1-NH2 3.17Å; E1134-R1169 IonicContact OE2-CZ 3.12Å; E1134-R1169 VanDerWaalsContact OE2-CZ 3.3Å; E1134-R1169 IonicContact OE2-NH1 2.97Å; E1134-R1169 PolarHBondContact OE2-NH1 3.22Å; E1134-R1169 IonicContact OE2-NH2 3.43Å; E1134-R1169 PolarHBondContact OE2-NH2 3.23Å; R1146-R1169 PolarHBondContact O-NH2 3.23Å; P1147-R1169 WeakPolarHBondContact O-CA 3.16Å; T1148-R1169 HydrophobicContact CG2-CG 4.28Å; T1148-R1169 PolarHBondContact OG1-NE 3.19Å
1170	C	87.2	Confident	81.1	Confident	3 Å²	3	75.8 Å²	75.8	2%	0.02	38%	0.377	C	S	.	.			trans	-124.7	155.4	166.9	-60.4	0	0	0	0	109	R1146 P1147 F1149 D1174 L1206	R1146-C1170 CarbonylContact C-O 3.5Å; R1146-C1170 VanDerWaalsContact CA-O 3.27Å; R1146-C1170 WeakPolarHBondContact CA-O 3.37Å; R1146-C1170 WeakPolarHBondContact CG-O 3.35Å; P1147-C1170 VanDerWaalsContact CD-O 3.27Å; P1147-C1170 WeakPolarHBondContact CD-O 3.38Å; P1147-C1170 PolarHBondContact O-N 3.05Å; P1147-C1170 VanDerWaalsContact O-N 3.12Å; F1149-C1170 HydrophobicContact CD2-CB 4.39Å; F1149-C1170 HydrophobicContact CE2-CB 4.06Å; C1170-D1174 WeakPolarHBondContact CA-OD2 3.35Å; C1170-D1174 HydrophobicContact CB-CB 4.41Å; C1170-D1174 VanDerWaalsContact CB-OD2 3.31Å; C1170-D1174 WeakPolarHBondContact CB-OD2 3.43Å; C1170-L1206 HydrophobicContact CB-CD1 4.12Å; C1170-L1206 HydrophobicContact CB-CD2 4.08Å
1171	N	86.7	Confident	81.8	Confident	48 Å²	48	71.9 Å²	71.9	26%	0.257	36%	0.356	S	S	.	.			trans	-90.9	159.4	164.9	-37.2	-70.4	0	0	0	108.7	R1146 S1173 D1174	R1146-N1171 WeakPolarHBondContact CD-OD1 3.42Å; R1146-N1171 WeakPolarHBondContact CG-OD1 3.34Å; R1146-N1171 VanDerWaalsContact CZ-OD1 3.24Å; R1146-N1171 PolarHBondContact NE-OD1 3.19Å; R1146-N1171 PolarHBondContact NH2-OD1 2.98Å; R1146-N1171 VanDerWaalsContact NH2-OD1 3.09Å; N1171-S1173 WeakPolarHBondContact CB-OG 3.37Å; N1171-S1173 PolarHBondContact O-N 3.13Å; N1171-S1173 VanDerWaalsContact O-N 3.13Å; N1171-D1174 WeakPolarHBondContact CB-OD1 3.38Å; N1171-D1174 VanDerWaalsContact N-CG 3.32Å; N1171-D1174 PolarHBondContact N-OD2 3.18Å; N1171-D1174 PolarHBondContact ND2-OD1 2.95Å; N1171-D1174 PolarHBondContact ND2-OD2 3.18Å; N1171-D1174 PolarHBondContact O-N 3.01Å; N1171-D1174 VanDerWaalsContact O-N 3.14Å
1172	L	85.1	Confident	82.3	Confident	14.6 Å²	14.6	68.3 Å²	68.3	8%	0.076	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.5	171.7	-75.5	-176.3	0	0	0	113.5	P1142 C1145 L1206 L1209 R1210	P1142-L1172 WeakPolarHBondContact O-CD1 3.42Å; C1145-L1172 HydrophobicContact CB-CD1 3.65Å; C1145-L1172 HydrophobicContact CB-CG 3.94Å; C1145-L1172 WeakPolarHBondContact O-CG 3.41Å; C1145-L1172 PolarHBondContact O-N 3.07Å; C1145-L1172 VanDerWaalsContact O-N 3.11Å; L1172-L1206 HydrophobicContact CD2-CD2 4.29Å; L1172-L1209 HydrophobicContact CD2-CB 3.78Å; L1172-R1210 HydrophobicContact CB-CG 4.46Å; L1172-R1210 HydrophobicContact CD2-CG 4.07Å; L1172-R1210 VanDerWaalsContact O-CZ 3.25Å; L1172-R1210 PolarHBondContact O-NE 3.11Å; L1172-R1210 PolarHBondContact O-NH2 3.35Å
1173	S	82.5	Confident	81.7	Confident	85.6 Å²	85.6	71.2 Å²	71.2	60%	0.599	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-17.7	176.9	50.5	0	0	0	0	114.9	N1171 T1175	N1171-S1173 WeakPolarHBondContact CB-OG 3.37Å; N1171-S1173 PolarHBondContact O-N 3.13Å; N1171-S1173 VanDerWaalsContact O-N 3.13Å; S1173-T1175 PolarHBondContact O-N 2.86Å
1174	D	85.6	Confident	80.7	Confident	20.4 Å²	20.4	70.4 Å²	70.4	11%	0.109	36%	0.358	C	S	.	.			trans	-67.3	141.7	-164.8	-63.2	-3.5	0	0	0	113	C1170 N1171 D1178 R1210	C1170-D1174 WeakPolarHBondContact CA-OD2 3.35Å; C1170-D1174 HydrophobicContact CB-CB 4.41Å; C1170-D1174 VanDerWaalsContact CB-OD2 3.31Å; C1170-D1174 WeakPolarHBondContact CB-OD2 3.43Å; N1171-D1174 WeakPolarHBondContact CB-OD1 3.38Å; N1171-D1174 VanDerWaalsContact N-CG 3.32Å; N1171-D1174 PolarHBondContact N-OD2 3.18Å; N1171-D1174 PolarHBondContact ND2-OD1 2.95Å; N1171-D1174 PolarHBondContact ND2-OD2 3.18Å; N1171-D1174 PolarHBondContact O-N 3.01Å; N1171-D1174 VanDerWaalsContact O-N 3.14Å; D1174-D1178 HydrophobicContact CB-CB 4.17Å; D1174-R1210 PolarHBondContact O-NH2 3.23Å; D1174-R1210 VanDerWaalsContact O-NH2 3.15Å
1175	T	85.4	Confident	79.2	Confident	62.4 Å²	62.4	69.5 Å²	69.5	38%	0.383	37%	0.372	S	S	.	.			trans	-96.3	174.8	175.3	72.6	0	0	0	0	112.1	S1173 E1177 D1178 I1179	S1173-T1175 PolarHBondContact O-N 2.86Å; T1175-E1177 VanDerWaalsContact C-N 3.26Å; T1175-E1177 VanDerWaalsContact CB-OE2 3.29Å; T1175-E1177 WeakPolarHBondContact CB-OE2 3.38Å; T1175-E1177 PolarHBondContact O-N 2.96Å; T1175-E1177 VanDerWaalsContact O-N 3.12Å; T1175-E1177 PolarHBondContact OG1-N 2.78Å; T1175-E1177 PolarHBondContact OG1-OE2 2.78Å; T1175-D1178 VanDerWaalsContact CB-OD2 3.3Å; T1175-D1178 WeakPolarHBondContact CB-OD2 3.38Å; T1175-D1178 WeakPolarHBondContact CG2-OD2 3.46Å; T1175-D1178 PolarHBondContact N-OD2 2.91Å; T1175-D1178 PolarHBondContact O-N 3.19Å; T1175-D1178 VanDerWaalsContact O-N 3.13Å; T1175-D1178 VanDerWaalsContact OG1-CG 3.29Å; T1175-D1178 PolarHBondContact OG1-N 2.95Å; T1175-D1178 PolarHBondContact OG1-OD2 3.36Å; T1175-I1179 WeakPolarHBondContact O-CG1 3.26Å; T1175-I1179 PolarHBondContact O-N 3.06Å
1176	L	84.5	Confident	77.6	Confident	67.4 Å²	67.4	70.1 Å²	70.1	35%	0.353	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.6	177.3	-163.4	92.1	0	0	0	112.5	K1199 E1200 M1203	L1176-K1199 HydrophobicContact CD1-CB 3.79Å; L1176-K1199 HydrophobicContact CD2-CB 4.41Å; L1176-K1199 HydrophobicContact CD2-CD 4.14Å; L1176-K1199 HydrophobicContact CG-CB 4.28Å; L1176-K1199 HydrophobicContact CG-CD 4.5Å; L1176-E1200 HydrophobicContact CD1-CG 4.25Å; L1176-M1203 HydrophobicContact CB-CG 4.39Å; L1176-M1203 HydrophobicContact CD1-CB 4.49Å; L1176-M1203 HydrophobicContact CD1-CG 3.79Å
1177	E	82	Confident	76.2	Confident	146.4 Å²	146.4	72.3 Å²	72.3	68%	0.684	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-28.6	-179.9	-63.5	108.5	-162.3	0	0	113.1	T1175 K1180	T1175-E1177 VanDerWaalsContact C-N 3.26Å; T1175-E1177 VanDerWaalsContact CB-OE2 3.29Å; T1175-E1177 WeakPolarHBondContact CB-OE2 3.38Å; T1175-E1177 PolarHBondContact O-N 2.96Å; T1175-E1177 VanDerWaalsContact O-N 3.12Å; T1175-E1177 PolarHBondContact OG1-N 2.78Å; T1175-E1177 PolarHBondContact OG1-OE2 2.78Å; E1177-K1180 WeakPolarHBondContact O-CE 3.16Å; E1177-K1180 PolarHBondContact O-NZ 2.81Å
1178	D	83.9	Confident	75.1	Confident	82.8 Å²	82.8	70.7 Å²	70.7	44%	0.443	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-37.6	178.4	-66	-54.3	0	0	0	111.8	D1174 T1175 K1180	D1174-D1178 HydrophobicContact CB-CB 4.17Å; T1175-D1178 VanDerWaalsContact CB-OD2 3.3Å; T1175-D1178 WeakPolarHBondContact CB-OD2 3.38Å; T1175-D1178 WeakPolarHBondContact CG2-OD2 3.46Å; T1175-D1178 PolarHBondContact N-OD2 2.91Å; T1175-D1178 PolarHBondContact O-N 3.19Å; T1175-D1178 VanDerWaalsContact O-N 3.13Å; T1175-D1178 VanDerWaalsContact OG1-CG 3.29Å; T1175-D1178 PolarHBondContact OG1-N 2.95Å; T1175-D1178 PolarHBondContact OG1-OD2 3.36Å; D1178-K1180 PolarHBondContact O-N 3.18Å; D1178-K1180 PolarHBondContact O-NZ 3.07Å
1179	I	83.5	Confident	73.7	Confident	5.6 Å²	5.6	73.8 Å²	73.8	3%	0.029	40%	0.401	C	S	.	.			trans	-64.4	125.6	179.1	-57.7	163.1	0	0	0	109.7	F1168 T1175 L1181 K1199 V1202 M1203 L1206	F1168-I1179 HydrophobicContact CE2-CG2 4.38Å; T1175-I1179 WeakPolarHBondContact O-CG1 3.26Å; T1175-I1179 PolarHBondContact O-N 3.06Å; I1179-L1181 HydrophobicContact CG2-CD2 3.83Å; I1179-L1181 HydrophobicContact CG2-CG 3.99Å; I1179-K1199 HydrophobicContact CB-CG 4.21Å; I1179-K1199 HydrophobicContact CG2-CG 3.86Å; I1179-K1199 WeakPolarHBondContact O-CE 3.4Å; I1179-K1199 PolarHBondContact O-NZ 3.15Å; I1179-K1199 VanDerWaalsContact O-NZ 3.11Å; I1179-V1202 HydrophobicContact CD1-CB 4.16Å; I1179-V1202 HydrophobicContact CD1-CG1 3.65Å; I1179-V1202 HydrophobicContact CG1-CG1 4.49Å; I1179-M1203 HydrophobicContact CD1-CG 4.21Å; I1179-M1203 HydrophobicContact CD1-SD 4.05Å; I1179-L1206 HydrophobicContact CD1-CD1 4.43Å
1180	K	79.6	Confident	72.6	Confident	139.4 Å²	139.4	71.2 Å²	71.2	61%	0.606	40%	0.397	S	S	*	.			trans	-131.7	91.1	-177.3	-72.6	160.7	-170.5	150.3	0	110.4	E1177 D1178	E1177-K1180 WeakPolarHBondContact O-CE 3.16Å; E1177-K1180 PolarHBondContact O-NZ 2.81Å; D1178-K1180 PolarHBondContact O-N 3.18Å; D1178-K1180 PolarHBondContact O-NZ 3.07Å
1181	L	76.9	Confident	71.8	Confident	19.2 Å²	19.2	72.8 Å²	72.8	10%	0.101	41%	0.405	C	S	.	.			trans	-84.1	-39.4	-176.8	-54.5	177.8	0	0	0	112.4	L1151 F1168 I1179 D1195 A1198 K1199	L1151-L1181 HydrophobicContact CD2-CD1 4.09Å; L1151-L1181 HydrophobicContact CD2-CD2 4.48Å; F1168-L1181 HydrophobicContact CD1-CD2 3.78Å; F1168-L1181 HydrophobicContact CD2-CD2 3.99Å; F1168-L1181 HydrophobicContact CE1-CD2 3.54Å; F1168-L1181 VanDerWaalsContact CE1-CD2 3.48Å; F1168-L1181 HydrophobicContact CE2-CD2 3.76Å; F1168-L1181 HydrophobicContact CG-CD2 4.01Å; F1168-L1181 HydrophobicContact CZ-CD2 3.53Å; F1168-L1181 VanDerWaalsContact CZ-CD2 3.46Å; I1179-L1181 HydrophobicContact CG2-CD2 3.83Å; I1179-L1181 HydrophobicContact CG2-CG 3.99Å; L1181-D1195 WeakPolarHBondContact CB-OD1 3.46Å; L1181-A1198 HydrophobicContact CD1-CB 3.43Å; L1181-A1198 VanDerWaalsContact CD1-CB 3.41Å; L1181-K1199 HydrophobicContact CD1-CG 4.04Å; L1181-K1199 HydrophobicContact CG-CG 4.35Å
1182	F	69.5	Low	71.3	Confident	45 Å²	45	76.3 Å²	76.3	20%	0.197	42%	0.418	C	S	.	.			trans	-123.7	135.2	-178	-56.9	-85	0	0	0	111.4	M1153 W1164 I1166 Y1187 I1194 D1195	M1153-F1182 HydrophobicContact CE-CE1 3.7Å; M1153-F1182 HydrophobicContact CE-CE2 4.11Å; M1153-F1182 HydrophobicContact CE-CZ 3.76Å; M1153-F1182 VanDerWaalsContact CE-CZ 3.47Å; M1153-F1182 HydrophobicContact SD-CE1 4.32Å; M1153-F1182 HydrophobicContact SD-CE2 4.4Å; M1153-F1182 HydrophobicContact SD-CZ 3.79Å; M1153-F1182 VanDerWaalsContact SD-CZ 3.58Å; W1164-F1182 AromaticContact CE3-CE1 3.74Å; W1164-F1182 HydrophobicContact CE3-CE1 3.87Å; W1164-F1182 AromaticContact CZ3-CD1 3.99Å; W1164-F1182 HydrophobicContact CZ3-CD1 3.99Å; W1164-F1182 AromaticContact CZ3-CE1 3.6Å; W1164-F1182 HydrophobicContact CZ3-CE1 3.84Å; I1166-F1182 HydrophobicContact CD1-CD1 4.24Å; I1166-F1182 HydrophobicContact CD1-CE1 3.86Å; I1166-F1182 VanDerWaalsContact CD1-CE1 3.48Å; I1166-F1182 HydrophobicContact CD1-CE2 4.25Å; I1166-F1182 HydrophobicContact CD1-CZ 3.79Å; I1166-F1182 VanDerWaalsContact CD1-CZ 3.47Å; F1182-Y1187 HydrophobicContact CB-CD2 4.09Å; F1182-Y1187 HydrophobicContact CB-CE2 3.79Å; F1182-Y1187 HydrophobicContact CD2-CE2 4.36Å; F1182-Y1187 HydrophobicContact CG-CE2 4.35Å; F1182-Y1187 VanDerWaalsContact O-CE2 3.29Å; F1182-Y1187 WeakPolarHBondContact O-CE2 3.27Å; F1182-Y1187 PolarHBondContact O-OH 3.06Å; F1182-I1194 HydrophobicContact CE2-CB 4.5Å; F1182-I1194 HydrophobicContact CE2-CG2 4.29Å; F1182-I1194 HydrophobicContact CZ-CB 4.47Å; F1182-I1194 HydrophobicContact CZ-CG2 4.03Å; F1182-D1195 HydrophobicContact CD2-CB 3.81Å; F1182-D1195 WeakPolarHBondContact CD2-OD1 3.39Å; F1182-D1195 HydrophobicContact CE2-CB 4.18Å
1183	Q	56.6	Low	70.9	Confident	167.6 Å²	167.6	77 Å²	77	78%	0.783	42%	0.422	S	S	*	.			trans	-141.5	128.6	170.2	-62	-175.1	23.1	0	0	108.5
1184	G	53.4	Low	70.7	Confident	59.8 Å²	59.8	73.4 Å²	73.4	62%	0.616	40%	0.396	S	S	*	.	S	Bend	trans	163.8	169	-179.2	0	0	0	0	0	112.7	D1186	G1184-D1186 VanDerWaalsContact C-N 3.27Å; G1184-D1186 PolarHBondContact O-N 3.44Å
1185	S	45.7	Very low	70.6	Confident	111.8 Å²	111.8	73.2 Å²	73.2	78%	0.782	40%	0.395	S	S	*	.	S	Bend	trans	-67.8	-26.3	177.9	43.9	0	0	0	0	113.6	Y1187	S1185-Y1187 VanDerWaalsContact C-N 3.28Å; S1185-Y1187 PolarHBondContact O-N 2.85Å; S1185-Y1187 VanDerWaalsContact O-N 3.11Å
1186	D	52.1	Low	70.5	Confident	129 Å²	129	74.8 Å²	74.8	69%	0.69	39%	0.394	S	S	*	.			trans	-96.5	34	-161.6	-48.4	-20	0	0	0	111.6	G1184 T1188 N1191	G1184-D1186 VanDerWaalsContact C-N 3.27Å; G1184-D1186 PolarHBondContact O-N 3.44Å; D1186-T1188 VanDerWaalsContact C-N 3.32Å; D1186-T1188 PolarHBondContact O-N 2.96Å; D1186-T1188 VanDerWaalsContact O-N 3.07Å; D1186-N1191 PolarHBondContact O-ND2 3.29Å
1187	Y	55.4	Low	70.6	Confident	81.8 Å²	81.8	72.2 Å²	72.2	32%	0.321	38%	0.382	S	S	.	.			trans	-81.7	80.3	-170.7	-152.4	-97.6	0	0	0	112.1	F1182 S1185 N1191 K1192 D1195	F1182-Y1187 HydrophobicContact CB-CD2 4.09Å; F1182-Y1187 HydrophobicContact CB-CE2 3.79Å; F1182-Y1187 HydrophobicContact CD2-CE2 4.36Å; F1182-Y1187 HydrophobicContact CG-CE2 4.35Å; F1182-Y1187 VanDerWaalsContact O-CE2 3.29Å; F1182-Y1187 WeakPolarHBondContact O-CE2 3.27Å; F1182-Y1187 PolarHBondContact O-OH 3.06Å; S1185-Y1187 VanDerWaalsContact C-N 3.28Å; S1185-Y1187 PolarHBondContact O-N 2.85Å; S1185-Y1187 VanDerWaalsContact O-N 3.11Å; Y1187-N1191 HydrophobicContact CD1-CB 4.09Å; Y1187-N1191 HydrophobicContact CD2-CB 3.81Å; Y1187-N1191 HydrophobicContact CE1-CB 3.93Å; Y1187-N1191 HydrophobicContact CE2-CB 3.98Å; Y1187-N1191 WeakPolarHBondContact CE2-O 3.33Å; Y1187-N1191 HydrophobicContact CG-CB 4.42Å; Y1187-K1192 HydrophobicContact CD1-CG 3.92Å; Y1187-K1192 HydrophobicContact CE1-CB 4.01Å; Y1187-K1192 HydrophobicContact CE1-CD 4.39Å; Y1187-K1192 HydrophobicContact CE1-CG 3.72Å; Y1187-K1192 VanDerWaalsContact CE1-CG 3.45Å; Y1187-K1192 WeakPolarHBondContact OH-CA 3.38Å; Y1187-D1195 HydrophobicContact CE2-CB 4.15Å; Y1187-D1195 VanDerWaalsContact OH-CB 3.3Å; Y1187-D1195 WeakPolarHBondContact OH-CB 3.38Å; Y1187-D1195 VanDerWaalsContact OH-CG 3.28Å; Y1187-D1195 PolarHBondContact OH-OD2 3.07Å; Y1187-D1195 VanDerWaalsContact OH-OD2 3.13Å
1188	T	63.2	Low	70.8	Confident	53.2 Å²	53.2	65.3 Å²	65.3	33%	0.326	35%	0.35	S	S	.	.			trans	-63.5	161.9	178.5	77.4	0	0	0	0	112.8	M1156 D1186 V1190 N1191 K1192	M1156-T1188 HydrophobicContact CE-CG2 4.44Å; D1186-T1188 VanDerWaalsContact C-N 3.32Å; D1186-T1188 PolarHBondContact O-N 2.96Å; D1186-T1188 VanDerWaalsContact O-N 3.07Å; T1188-V1190 VanDerWaalsContact C-N 3.26Å; T1188-V1190 PolarHBondContact O-N 2.95Å; T1188-V1190 PolarHBondContact OG1-N 3.1Å; T1188-N1191 PolarHBondContact N-ND2 3.42Å; T1188-N1191 WeakPolarHBondContact O-CA 3.31Å; T1188-N1191 WeakPolarHBondContact O-CB 3.32Å; T1188-N1191 PolarHBondContact O-N 2.88Å; T1188-N1191 VanDerWaalsContact O-N 3.08Å; T1188-N1191 VanDerWaalsContact OG1-CG 3.29Å; T1188-N1191 PolarHBondContact OG1-N 3.15Å; T1188-N1191 VanDerWaalsContact OG1-N 3.12Å; T1188-N1191 PolarHBondContact OG1-ND2 3.22Å; T1188-N1191 PolarHBondContact OG1-OD1 3.19Å; T1188-K1192 PolarHBondContact O-N 3.04Å; T1188-K1192 VanDerWaalsContact O-N 3.1Å
1189	P	61.2	Low	71.1	Confident	95.2 Å²	95.2	62.7 Å²	62.7	62%	0.618	33%	0.334	S	S	*	.	H	α-helix	trans	-56.9	-35.8	171.7	-25.8	35.8	0	0	0	113.4	N1191 K1192 D1193	P1189-N1191 VanDerWaalsContact C-N 3.32Å; P1189-N1191 PolarHBondContact O-N 3.19Å; P1189-K1192 WeakPolarHBondContact O-CA 3.38Å; P1189-K1192 VanDerWaalsContact O-CB 3.28Å; P1189-K1192 WeakPolarHBondContact O-CB 3.37Å; P1189-K1192 PolarHBondContact O-N 2.95Å; P1189-K1192 VanDerWaalsContact O-N 3.11Å; P1189-D1193 PolarHBondContact O-N 3.11Å; P1189-D1193 VanDerWaalsContact O-N 3.13Å
1190	V	64.4	Low	71.4	Confident	56.8 Å²	56.8	66.3 Å²	66.3	34%	0.344	35%	0.351	S	S	.	.	H	α-helix	trans	-66.9	-38.2	176.4	-174	0	0	0	0	110.8	M1156 T1188 K1192 D1193 I1194 F1233	M1156-V1190 HydrophobicContact CB-CG1 4.47Å; M1156-V1190 HydrophobicContact CE-CB 3.65Å; M1156-V1190 HydrophobicContact CE-CG1 3.99Å; M1156-V1190 HydrophobicContact CE-CG2 4.14Å; M1156-V1190 HydrophobicContact CG-CG1 4.25Å; M1156-V1190 HydrophobicContact SD-CB 3.67Å; M1156-V1190 HydrophobicContact SD-CG1 3.74Å; M1156-V1190 VanDerWaalsContact SD-CG1 3.53Å; T1188-V1190 VanDerWaalsContact C-N 3.26Å; T1188-V1190 PolarHBondContact O-N 2.95Å; T1188-V1190 PolarHBondContact OG1-N 3.1Å; V1190-K1192 VanDerWaalsContact C-N 3.28Å; V1190-K1192 PolarHBondContact O-N 2.98Å; V1190-D1193 PolarHBondContact O-N 3.21Å; V1190-I1194 HydrophobicContact CG1-CD1 4.05Å; V1190-I1194 HydrophobicContact CG1-CG1 4.5Å; V1190-I1194 VanDerWaalsContact O-CG1 3.28Å; V1190-I1194 WeakPolarHBondContact O-CG1 3.38Å; V1190-I1194 PolarHBondContact O-N 3.38Å; V1190-I1194 VanDerWaalsContact O-N 3.12Å; V1190-F1233 HydrophobicContact CG2-CE2 3.74Å; V1190-F1233 HydrophobicContact CG2-CZ 4.24Å
1191	N	71.9	Confident	71.9	Confident	35.8 Å²	35.8	60.2 Å²	60.2	19%	0.191	33%	0.328	C	S	.	.	H	α-helix	trans	-62.8	-31.1	173.4	-64	-3.8	0	0	0	111.8	M1156 D1186 Y1187 T1188 P1189 I1194 D1195	M1156-N1191 PolarHBondContact SD-OD1 3Å; D1186-N1191 PolarHBondContact O-ND2 3.29Å; Y1187-N1191 HydrophobicContact CD1-CB 4.09Å; Y1187-N1191 HydrophobicContact CD2-CB 3.81Å; Y1187-N1191 HydrophobicContact CE1-CB 3.93Å; Y1187-N1191 HydrophobicContact CE2-CB 3.98Å; Y1187-N1191 WeakPolarHBondContact CE2-O 3.33Å; Y1187-N1191 HydrophobicContact CG-CB 4.42Å; T1188-N1191 PolarHBondContact N-ND2 3.42Å; T1188-N1191 WeakPolarHBondContact O-CA 3.31Å; T1188-N1191 WeakPolarHBondContact O-CB 3.32Å; T1188-N1191 PolarHBondContact O-N 2.88Å; T1188-N1191 VanDerWaalsContact O-N 3.08Å; T1188-N1191 VanDerWaalsContact OG1-CG 3.29Å; T1188-N1191 PolarHBondContact OG1-N 3.15Å; T1188-N1191 VanDerWaalsContact OG1-N 3.12Å; T1188-N1191 PolarHBondContact OG1-ND2 3.22Å; T1188-N1191 PolarHBondContact OG1-OD1 3.19Å; P1189-N1191 VanDerWaalsContact C-N 3.32Å; P1189-N1191 PolarHBondContact O-N 3.19Å; N1191-I1194 PolarHBondContact O-N 2.96Å; N1191-D1195 VanDerWaalsContact O-CB 3.26Å; N1191-D1195 WeakPolarHBondContact O-CB 3.41Å; N1191-D1195 PolarHBondContact O-N 3.16Å
1192	K	75.4	Confident	72.6	Confident	121.8 Å²	121.8	59.3 Å²	59.3	53%	0.53	32%	0.323	S	S	.	.	H	α-helix	trans	-69.4	-38.4	173.6	-83.2	-178.2	178.2	-176.9	0	112.9	Y1187 T1188 P1189 V1190 I1194 D1195 R1196	Y1187-K1192 HydrophobicContact CD1-CG 3.92Å; Y1187-K1192 HydrophobicContact CE1-CB 4.01Å; Y1187-K1192 HydrophobicContact CE1-CD 4.39Å; Y1187-K1192 HydrophobicContact CE1-CG 3.72Å; Y1187-K1192 VanDerWaalsContact CE1-CG 3.45Å; Y1187-K1192 WeakPolarHBondContact OH-CA 3.38Å; T1188-K1192 PolarHBondContact O-N 3.04Å; T1188-K1192 VanDerWaalsContact O-N 3.1Å; P1189-K1192 WeakPolarHBondContact O-CA 3.38Å; P1189-K1192 VanDerWaalsContact O-CB 3.28Å; P1189-K1192 WeakPolarHBondContact O-CB 3.37Å; P1189-K1192 PolarHBondContact O-N 2.95Å; P1189-K1192 VanDerWaalsContact O-N 3.11Å; V1190-K1192 VanDerWaalsContact C-N 3.28Å; V1190-K1192 PolarHBondContact O-N 2.98Å; K1192-I1194 VanDerWaalsContact C-N 3.34Å; K1192-D1195 PolarHBondContact O-N 3.11Å; K1192-R1196 VanDerWaalsContact O-CB 3.28Å; K1192-R1196 WeakPolarHBondContact O-CB 3.34Å; K1192-R1196 PolarHBondContact O-N 3.25Å; K1192-R1196 VanDerWaalsContact O-N 3.16Å
1193	D	77	Confident	73.7	Confident	30 Å²	30	59.2 Å²	59.2	16%	0.16	32%	0.324	C	S	.	.	H	α-helix	trans	-69.6	-36.6	176.3	-71.5	-22.3	0	0	0	111.6	P1189 V1190 R1196 A1197 S1229	P1189-D1193 PolarHBondContact O-N 3.11Å; P1189-D1193 VanDerWaalsContact O-N 3.13Å; V1190-D1193 PolarHBondContact O-N 3.21Å; D1193-R1196 IonicContact OD1-CZ 3.07Å; D1193-R1196 IonicContact OD1-NH1 3.08Å; D1193-R1196 PolarHBondContact OD1-NH1 3.21Å; D1193-R1196 IonicContact OD1-NH2 2.98Å; D1193-R1196 PolarHBondContact OD1-NH2 3.08Å; D1193-R1196 IonicContact OD2-NH2 3.18Å; D1193-A1197 VanDerWaalsContact O-CB 3.29Å; D1193-A1197 WeakPolarHBondContact O-CB 3.43Å; D1193-A1197 PolarHBondContact O-N 3.05Å; D1193-A1197 VanDerWaalsContact O-N 3.1Å; D1193-S1229 VanDerWaalsContact OD1-CB 3.27Å; D1193-S1229 WeakPolarHBondContact OD1-CB 3.36Å; D1193-S1229 PolarHBondContact OD1-OG 3.29Å; D1193-S1229 VanDerWaalsContact OD2-CB 3.31Å; D1193-S1229 WeakPolarHBondContact OD2-CB 3.3Å; D1193-S1229 PolarHBondContact OD2-N 3.39Å; D1193-S1229 PolarHBondContact OD2-OG 3.14Å
1194	I	78.1	Confident	75.3	Confident	10.6 Å²	10.6	56.6 Å²	56.6	5%	0.054	31%	0.31	C	S	.	.	H	α-helix	trans	-66.1	-49	173	-66.7	167.8	0	0	0	111.3	Y1126 M1153 M1156 F1182 V1190 N1191 K1192 R1196 A1197 A1198 P1226	Y1126-I1194 HydrophobicContact CD1-CG2 4.44Å; Y1126-I1194 HydrophobicContact CE1-CD1 4.28Å; Y1126-I1194 HydrophobicContact CE1-CG1 4.08Å; Y1126-I1194 HydrophobicContact CE1-CG2 4.1Å; Y1126-I1194 WeakPolarHBondContact OH-CG1 3.32Å; M1153-I1194 HydrophobicContact CE-CG2 3.89Å; M1153-I1194 HydrophobicContact SD-CG2 3.61Å; M1153-I1194 WeakPolarHBondContact SD-CG2 3.34Å; M1156-I1194 HydrophobicContact CB-CD1 4.5Å; M1156-I1194 HydrophobicContact CG-CD1 4.19Å; M1156-I1194 HydrophobicContact SD-CD1 3.94Å; M1156-I1194 HydrophobicContact SD-CG1 4.27Å; F1182-I1194 HydrophobicContact CE2-CB 4.5Å; F1182-I1194 HydrophobicContact CE2-CG2 4.29Å; F1182-I1194 HydrophobicContact CZ-CB 4.47Å; F1182-I1194 HydrophobicContact CZ-CG2 4.03Å; V1190-I1194 HydrophobicContact CG1-CD1 4.05Å; V1190-I1194 HydrophobicContact CG1-CG1 4.5Å; V1190-I1194 VanDerWaalsContact O-CG1 3.28Å; V1190-I1194 WeakPolarHBondContact O-CG1 3.38Å; V1190-I1194 PolarHBondContact O-N 3.38Å; V1190-I1194 VanDerWaalsContact O-N 3.12Å; N1191-I1194 PolarHBondContact O-N 2.96Å; K1192-I1194 VanDerWaalsContact C-N 3.34Å; I1194-R1196 VanDerWaalsContact C-N 3.32Å; I1194-R1196 PolarHBondContact O-N 3.03Å; I1194-A1197 PolarHBondContact O-N 3.33Å; I1194-A1198 VanDerWaalsContact O-CB 3.25Å; I1194-A1198 WeakPolarHBondContact O-CB 3.34Å; I1194-A1198 PolarHBondContact O-N 3.12Å; I1194-P1226 HydrophobicContact CB-CG 4.35Å; I1194-P1226 HydrophobicContact CG1-CB 4.23Å; I1194-P1226 HydrophobicContact CG1-CG 3.85Å
1195	D	82.8	Confident	77.1	Confident	15.4 Å²	15.4	54.4 Å²	54.4	8%	0.082	28%	0.284	C	S	.	.	H	α-helix	trans	-57.8	-47.8	177	-179.6	67.6	0	0	0	111.5	L1181 F1182 Y1187 N1191 K1192 A1198 K1199	L1181-D1195 WeakPolarHBondContact CB-OD1 3.46Å; F1182-D1195 HydrophobicContact CD2-CB 3.81Å; F1182-D1195 WeakPolarHBondContact CD2-OD1 3.39Å; F1182-D1195 HydrophobicContact CE2-CB 4.18Å; Y1187-D1195 HydrophobicContact CE2-CB 4.15Å; Y1187-D1195 VanDerWaalsContact OH-CB 3.3Å; Y1187-D1195 WeakPolarHBondContact OH-CB 3.38Å; Y1187-D1195 VanDerWaalsContact OH-CG 3.28Å; Y1187-D1195 PolarHBondContact OH-OD2 3.07Å; Y1187-D1195 VanDerWaalsContact OH-OD2 3.13Å; N1191-D1195 VanDerWaalsContact O-CB 3.26Å; N1191-D1195 WeakPolarHBondContact O-CB 3.41Å; N1191-D1195 PolarHBondContact O-N 3.16Å; K1192-D1195 PolarHBondContact O-N 3.11Å; D1195-A1198 PolarHBondContact O-N 3.17Å; D1195-K1199 VanDerWaalsContact CG-CE 3.46Å; D1195-K1199 VanDerWaalsContact CG-NZ 3.33Å; D1195-K1199 VanDerWaalsContact O-CB 3.31Å; D1195-K1199 WeakPolarHBondContact O-CB 3.4Å; D1195-K1199 WeakPolarHBondContact O-CD 3.36Å; D1195-K1199 VanDerWaalsContact O-CG 3.23Å; D1195-K1199 WeakPolarHBondContact O-CG 3.4Å; D1195-K1199 PolarHBondContact O-N 3.15Å; D1195-K1199 VanDerWaalsContact OD1-CE 3.26Å; D1195-K1199 WeakPolarHBondContact OD1-CE 3.34Å; D1195-K1199 IonicContact OD1-NZ 3.09Å; D1195-K1199 PolarHBondContact OD1-NZ 3.01Å; D1195-K1199 WeakPolarHBondContact OD2-CD 3.39Å; D1195-K1199 VanDerWaalsContact OD2-CE 3.3Å; D1195-K1199 WeakPolarHBondContact OD2-CE 3.31Å; D1195-K1199 IonicContact OD2-NZ 3.05Å; D1195-K1199 PolarHBondContact OD2-NZ 3.13Å
1196	R	84.6	Confident	79.3	Confident	97.2 Å²	97.2	49.1 Å²	49.1	37%	0.367	25%	0.247	S	C	.	.	H	α-helix	trans	-59.5	-51.6	177.1	179	172	60.1	-130.3	-2.8	112	K1192 D1193 I1194 A1198 K1199 E1200 Q1227 S1229	K1192-R1196 VanDerWaalsContact O-CB 3.28Å; K1192-R1196 WeakPolarHBondContact O-CB 3.34Å; K1192-R1196 PolarHBondContact O-N 3.25Å; K1192-R1196 VanDerWaalsContact O-N 3.16Å; D1193-R1196 IonicContact OD1-CZ 3.07Å; D1193-R1196 IonicContact OD1-NH1 3.08Å; D1193-R1196 PolarHBondContact OD1-NH1 3.21Å; D1193-R1196 IonicContact OD1-NH2 2.98Å; D1193-R1196 PolarHBondContact OD1-NH2 3.08Å; D1193-R1196 IonicContact OD2-NH2 3.18Å; I1194-R1196 VanDerWaalsContact C-N 3.32Å; I1194-R1196 PolarHBondContact O-N 3.03Å; R1196-A1198 VanDerWaalsContact C-N 3.3Å; R1196-A1198 PolarHBondContact O-N 3.31Å; R1196-K1199 WeakPolarHBondContact O-CB 3.45Å; R1196-K1199 PolarHBondContact O-N 2.9Å; R1196-K1199 VanDerWaalsContact O-N 3.13Å; R1196-E1200 WeakPolarHBondContact CD-OE1 3.48Å; R1196-E1200 HydrophobicContact CG-CG 4.45Å; R1196-E1200 WeakPolarHBondContact CG-OE1 3.32Å; R1196-E1200 IonicContact NE-OE1 3Å; R1196-E1200 WeakPolarHBondContact O-CB 3.43Å; R1196-E1200 WeakPolarHBondContact O-CG 3.34Å; R1196-E1200 PolarHBondContact O-N 3.07Å; R1196-Q1227 PolarHBondContact NH2-O 3.04Å; R1196-S1229 PolarHBondContact NH2-OG 3.14Å
1197	A	85.2	Confident	81.1	Confident	12.6 Å²	12.6	46.9 Å²	46.9	10%	0.104	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-36.1	-178.7	0	0	0	0	0	112.7	Y1126 D1193 I1194 G1201 F1224 P1226 F1292	Y1126-A1197 HydrophobicContact CE1-CB 4.33Å; D1193-A1197 VanDerWaalsContact O-CB 3.29Å; D1193-A1197 WeakPolarHBondContact O-CB 3.43Å; D1193-A1197 PolarHBondContact O-N 3.05Å; D1193-A1197 VanDerWaalsContact O-N 3.1Å; I1194-A1197 PolarHBondContact O-N 3.33Å; A1197-G1201 PolarHBondContact O-N 3.02Å; A1197-G1201 VanDerWaalsContact O-N 3.1Å; A1197-F1224 HydrophobicContact CB-CD2 4.21Å; A1197-F1224 HydrophobicContact CB-CE2 4.23Å; A1197-P1226 HydrophobicContact CB-CB 4.05Å; A1197-P1226 HydrophobicContact CB-CG 3.94Å; A1197-F1292 HydrophobicContact CB-CZ 4.2Å
1198	A	87.3	Confident	82.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66	-43.7	174.3	0	0	0	0	0	111.8	L1151 M1153 L1181 I1194 D1195 R1196 G1201 V1202 F1224	L1151-A1198 HydrophobicContact CD1-CB 4.46Å; L1151-A1198 HydrophobicContact CD2-CB 3.88Å; M1153-A1198 HydrophobicContact CE-CB 4.36Å; M1153-A1198 HydrophobicContact SD-CB 3.96Å; L1181-A1198 HydrophobicContact CD1-CB 3.43Å; L1181-A1198 VanDerWaalsContact CD1-CB 3.41Å; I1194-A1198 VanDerWaalsContact O-CB 3.25Å; I1194-A1198 WeakPolarHBondContact O-CB 3.34Å; I1194-A1198 PolarHBondContact O-N 3.12Å; D1195-A1198 PolarHBondContact O-N 3.17Å; R1196-A1198 VanDerWaalsContact C-N 3.3Å; R1196-A1198 PolarHBondContact O-N 3.31Å; A1198-G1201 PolarHBondContact O-N 3.09Å; A1198-V1202 WeakPolarHBondContact O-CG2 3.27Å; A1198-V1202 PolarHBondContact O-N 3.34Å; A1198-F1224 HydrophobicContact CB-CE2 4.04Å; A1198-F1224 HydrophobicContact CB-CZ 3.75Å
1199	K	90.3	Very high	84.1	Confident	28 Å²	28	42.1 Å²	42.1	12%	0.122	22%	0.215	C	C	.	.	H	α-helix	trans	-63.7	-42.2	175.7	-74.4	169.2	172.2	179.2	0	113.1	L1176 I1179 L1181 D1195 R1196 G1201 V1202 M1203	L1176-K1199 HydrophobicContact CD1-CB 3.79Å; L1176-K1199 HydrophobicContact CD2-CB 4.41Å; L1176-K1199 HydrophobicContact CD2-CD 4.14Å; L1176-K1199 HydrophobicContact CG-CB 4.28Å; L1176-K1199 HydrophobicContact CG-CD 4.5Å; I1179-K1199 HydrophobicContact CB-CG 4.21Å; I1179-K1199 HydrophobicContact CG2-CG 3.86Å; I1179-K1199 WeakPolarHBondContact O-CE 3.4Å; I1179-K1199 PolarHBondContact O-NZ 3.15Å; I1179-K1199 VanDerWaalsContact O-NZ 3.11Å; L1181-K1199 HydrophobicContact CD1-CG 4.04Å; L1181-K1199 HydrophobicContact CG-CG 4.35Å; D1195-K1199 VanDerWaalsContact CG-CE 3.46Å; D1195-K1199 VanDerWaalsContact CG-NZ 3.33Å; D1195-K1199 VanDerWaalsContact O-CB 3.31Å; D1195-K1199 WeakPolarHBondContact O-CB 3.4Å; D1195-K1199 WeakPolarHBondContact O-CD 3.36Å; D1195-K1199 VanDerWaalsContact O-CG 3.23Å; D1195-K1199 WeakPolarHBondContact O-CG 3.4Å; D1195-K1199 PolarHBondContact O-N 3.15Å; D1195-K1199 VanDerWaalsContact OD1-CE 3.26Å; D1195-K1199 WeakPolarHBondContact OD1-CE 3.34Å; D1195-K1199 IonicContact OD1-NZ 3.09Å; D1195-K1199 PolarHBondContact OD1-NZ 3.01Å; D1195-K1199 WeakPolarHBondContact OD2-CD 3.39Å; D1195-K1199 VanDerWaalsContact OD2-CE 3.3Å; D1195-K1199 WeakPolarHBondContact OD2-CE 3.31Å; D1195-K1199 IonicContact OD2-NZ 3.05Å; D1195-K1199 PolarHBondContact OD2-NZ 3.13Å; R1196-K1199 WeakPolarHBondContact O-CB 3.45Å; R1196-K1199 PolarHBondContact O-N 2.9Å; R1196-K1199 VanDerWaalsContact O-N 3.13Å; K1199-G1201 VanDerWaalsContact C-N 3.27Å; K1199-G1201 PolarHBondContact O-N 3.11Å; K1199-V1202 WeakPolarHBondContact O-CB 3.39Å; K1199-V1202 PolarHBondContact O-N 3.17Å; K1199-V1202 VanDerWaalsContact O-N 3.12Å; K1199-M1203 WeakPolarHBondContact O-CB 3.41Å; K1199-M1203 WeakPolarHBondContact O-CG 3.4Å; K1199-M1203 PolarHBondContact O-N 3.07Å
1200	E	88.6	Confident	85.3	Confident	82 Å²	82	41.8 Å²	41.8	38%	0.383	20%	0.201	S	C	.	.	H	α-helix	trans	-60.2	-39	173	-76.7	176.6	-151.4	0	0	111.6	L1176 R1196 V1202 M1203 K1204 F1292	L1176-E1200 HydrophobicContact CD1-CG 4.25Å; R1196-E1200 WeakPolarHBondContact CD-OE1 3.48Å; R1196-E1200 HydrophobicContact CG-CG 4.45Å; R1196-E1200 WeakPolarHBondContact CG-OE1 3.32Å; R1196-E1200 IonicContact NE-OE1 3Å; R1196-E1200 WeakPolarHBondContact O-CB 3.43Å; R1196-E1200 WeakPolarHBondContact O-CG 3.34Å; R1196-E1200 PolarHBondContact O-N 3.07Å; E1200-V1202 VanDerWaalsContact C-N 3.35Å; E1200-M1203 PolarHBondContact O-N 3.07Å; E1200-K1204 WeakPolarHBondContact O-CB 3.37Å; E1200-K1204 WeakPolarHBondContact O-CD 3.28Å; E1200-K1204 WeakPolarHBondContact O-CG 3.35Å; E1200-K1204 PolarHBondContact O-N 3.31Å; E1200-K1204 VanDerWaalsContact O-N 3.15Å; E1200-K1204 IonicContact OE2-NZ 2.67Å; E1200-K1204 PolarHBondContact OE2-NZ 3.29Å; E1200-F1292 HydrophobicContact CB-CZ 4.4Å; E1200-F1292 VanDerWaalsContact OE2-CE2 3.22Å; E1200-F1292 WeakPolarHBondContact OE2-CE2 3.41Å
1201	G	90.6	Very high	86.3	Confident	10.8 Å²	10.8	44.9 Å²	44.9	11%	0.111	22%	0.216	C	C	.	.	H	α-helix	trans	-62.9	-44.3	172	0	0	0	0	0	113.3	L1128 A1197 A1198 K1199 K1204 L1205	L1128-G1201 VanDerWaalsContact CD2-C 3.42Å; A1197-G1201 PolarHBondContact O-N 3.02Å; A1197-G1201 VanDerWaalsContact O-N 3.1Å; A1198-G1201 PolarHBondContact O-N 3.09Å; K1199-G1201 VanDerWaalsContact C-N 3.27Å; K1199-G1201 PolarHBondContact O-N 3.11Å; G1201-K1204 PolarHBondContact O-N 2.92Å; G1201-L1205 WeakPolarHBondContact O-CG 3.4Å; G1201-L1205 PolarHBondContact O-N 3.12Å; G1201-L1205 VanDerWaalsContact O-N 3.17Å
1202	V	92.3	Very high	87	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-46.6	175.1	172.6	0	0	0	0	111	L1128 F1149 F1168 I1179 A1198 K1199 E1200 K1204 L1205 L1206	L1128-V1202 HydrophobicContact CD1-CG2 4.09Å; L1128-V1202 HydrophobicContact CD2-CG2 3.96Å; F1149-V1202 HydrophobicContact CD1-CG2 4.3Å; F1149-V1202 HydrophobicContact CD2-CG1 4.19Å; F1149-V1202 HydrophobicContact CE1-CG1 4.32Å; F1149-V1202 HydrophobicContact CE1-CG2 4.49Å; F1149-V1202 HydrophobicContact CE2-CG1 3.84Å; F1149-V1202 HydrophobicContact CG-CG2 4.43Å; F1149-V1202 HydrophobicContact CZ-CG1 3.92Å; F1168-V1202 HydrophobicContact CE2-CG1 4.27Å; F1168-V1202 HydrophobicContact CE2-CG2 3.71Å; F1168-V1202 HydrophobicContact CZ-CG2 3.49Å; F1168-V1202 VanDerWaalsContact CZ-CG2 3.47Å; I1179-V1202 HydrophobicContact CD1-CB 4.16Å; I1179-V1202 HydrophobicContact CD1-CG1 3.65Å; I1179-V1202 HydrophobicContact CG1-CG1 4.49Å; A1198-V1202 WeakPolarHBondContact O-CG2 3.27Å; A1198-V1202 PolarHBondContact O-N 3.34Å; K1199-V1202 WeakPolarHBondContact O-CB 3.39Å; K1199-V1202 PolarHBondContact O-N 3.17Å; K1199-V1202 VanDerWaalsContact O-N 3.12Å; E1200-V1202 VanDerWaalsContact C-N 3.35Å; V1202-K1204 VanDerWaalsContact C-N 3.32Å; V1202-K1204 PolarHBondContact O-N 3.07Å; V1202-L1205 CarbonylContact O-C 3.48Å; V1202-L1205 PolarHBondContact O-N 3.07Å; V1202-L1205 VanDerWaalsContact O-N 3.11Å; V1202-L1206 HydrophobicContact CG1-CD1 3.86Å; V1202-L1206 HydrophobicContact CG1-CG 4.13Å; V1202-L1206 WeakPolarHBondContact O-CB 3.42Å; V1202-L1206 WeakPolarHBondContact O-CG 3.34Å; V1202-L1206 PolarHBondContact O-N 3.25Å
1203	M	91.1	Very high	87.4	Confident	44 Å²	44	42.9 Å²	42.9	22%	0.217	21%	0.212	C	C	.	.	H	α-helix	trans	-61.2	-38	179.7	-76.2	-60.2	-64	0	0	112.4	L1176 I1179 K1199 E1200 L1205 L1206 E1207	L1176-M1203 HydrophobicContact CB-CG 4.39Å; L1176-M1203 HydrophobicContact CD1-CB 4.49Å; L1176-M1203 HydrophobicContact CD1-CG 3.79Å; I1179-M1203 HydrophobicContact CD1-CG 4.21Å; I1179-M1203 HydrophobicContact CD1-SD 4.05Å; K1199-M1203 WeakPolarHBondContact O-CB 3.41Å; K1199-M1203 WeakPolarHBondContact O-CG 3.4Å; K1199-M1203 PolarHBondContact O-N 3.07Å; E1200-M1203 PolarHBondContact O-N 3.07Å; M1203-L1205 VanDerWaalsContact C-N 3.31Å; M1203-L1205 PolarHBondContact O-N 2.95Å; M1203-L1206 PolarHBondContact O-N 3.1Å; M1203-L1206 HydrophobicContact SD-CD1 4.06Å; M1203-E1207 VanDerWaalsContact O-CB 3.28Å; M1203-E1207 WeakPolarHBondContact O-CB 3.39Å; M1203-E1207 PolarHBondContact O-N 3.23Å
1204	K	90.5	Very high	87.6	Confident	113.4 Å²	113.4	48.6 Å²	48.6	49%	0.493	24%	0.238	S	C	.	.	H	α-helix	trans	-64.2	-37.2	174	-74.2	172	179.4	177.4	0	112.6	E1200 G1201 V1202 A1208 N1291 F1292 I1295	E1200-K1204 WeakPolarHBondContact O-CB 3.37Å; E1200-K1204 WeakPolarHBondContact O-CD 3.28Å; E1200-K1204 WeakPolarHBondContact O-CG 3.35Å; E1200-K1204 PolarHBondContact O-N 3.31Å; E1200-K1204 VanDerWaalsContact O-N 3.15Å; E1200-K1204 IonicContact OE2-NZ 2.67Å; E1200-K1204 PolarHBondContact OE2-NZ 3.29Å; G1201-K1204 PolarHBondContact O-N 2.92Å; V1202-K1204 VanDerWaalsContact C-N 3.32Å; V1202-K1204 PolarHBondContact O-N 3.07Å; K1204-A1208 WeakPolarHBondContact O-CB 3.38Å; K1204-A1208 PolarHBondContact O-N 3.14Å; K1204-A1208 VanDerWaalsContact O-N 3.15Å; K1204-N1291 PolarHBondContact NZ-OD1 3.34Å; K1204-F1292 HydrophobicContact CD-CE2 4.25Å; K1204-I1295 HydrophobicContact CB-CD1 3.98Å; K1204-I1295 HydrophobicContact CD-CD1 3.53Å; K1204-I1295 VanDerWaalsContact CD-CD1 3.46Å; K1204-I1295 HydrophobicContact CD-CG1 3.92Å; K1204-I1295 HydrophobicContact CG-CD1 4.34Å
1205	L	92.3	Very high	88	Confident	13.4 Å²	13.4	50.8 Å²	50.8	7%	0.07	25%	0.254	C	S	.	.	H	α-helix	trans	-77	-34.1	176	-68.3	177.3	0	0	0	112.9	L1128 V1130 F1149 G1201 V1202 M1203 A1208 L1209 V1216 Y1222	L1128-L1205 HydrophobicContact CD2-CD1 3.64Å; L1128-L1205 HydrophobicContact CD2-CG 4.24Å; L1128-L1205 HydrophobicContact CG-CD1 3.87Å; V1130-L1205 HydrophobicContact CG2-CD1 4.35Å; F1149-L1205 HydrophobicContact CD1-CD1 4.43Å; F1149-L1205 HydrophobicContact CE1-CB 3.78Å; F1149-L1205 HydrophobicContact CE1-CD1 3.9Å; F1149-L1205 HydrophobicContact CE1-CG 4.47Å; F1149-L1205 HydrophobicContact CZ-CB 4.23Å; G1201-L1205 WeakPolarHBondContact O-CG 3.4Å; G1201-L1205 PolarHBondContact O-N 3.12Å; G1201-L1205 VanDerWaalsContact O-N 3.17Å; V1202-L1205 CarbonylContact O-C 3.48Å; V1202-L1205 PolarHBondContact O-N 3.07Å; V1202-L1205 VanDerWaalsContact O-N 3.11Å; M1203-L1205 VanDerWaalsContact C-N 3.31Å; M1203-L1205 PolarHBondContact O-N 2.95Å; L1205-A1208 PolarHBondContact O-N 3.23Å; L1205-L1209 WeakPolarHBondContact O-CB 3.37Å; L1205-L1209 VanDerWaalsContact O-CG 3.29Å; L1205-L1209 WeakPolarHBondContact O-CG 3.33Å; L1205-L1209 PolarHBondContact O-N 3.13Å; L1205-L1209 VanDerWaalsContact O-N 3.08Å; L1205-V1216 HydrophobicContact CD2-CG1 4.05Å; L1205-V1216 HydrophobicContact CD2-CG2 3.92Å; L1205-Y1222 HydrophobicContact CD1-CD2 4.05Å; L1205-Y1222 HydrophobicContact CD1-CE2 4.43Å; L1205-Y1222 HydrophobicContact CD1-CG 4.35Å; L1205-Y1222 HydrophobicContact CD2-CD1 4.12Å; L1205-Y1222 HydrophobicContact CD2-CD2 4.15Å; L1205-Y1222 HydrophobicContact CD2-CE1 4.07Å; L1205-Y1222 HydrophobicContact CD2-CE2 4.12Å; L1205-Y1222 HydrophobicContact CD2-CG 4.17Å
1206	L	91.6	Very high	88.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-44.4	169.9	-75	174.8	0	0	0	110.8	P1147 F1149 C1170 L1172 I1179 V1202 M1203 A1208 L1209 R1210	P1147-L1206 HydrophobicContact CG-CD2 3.63Å; F1149-L1206 HydrophobicContact CE2-CD2 3.98Å; F1149-L1206 HydrophobicContact CE2-CG 4.23Å; F1149-L1206 HydrophobicContact CZ-CD2 4.05Å; F1149-L1206 HydrophobicContact CZ-CG 4.05Å; C1170-L1206 HydrophobicContact CB-CD1 4.12Å; C1170-L1206 HydrophobicContact CB-CD2 4.08Å; L1172-L1206 HydrophobicContact CD2-CD2 4.29Å; I1179-L1206 HydrophobicContact CD1-CD1 4.43Å; V1202-L1206 HydrophobicContact CG1-CD1 3.86Å; V1202-L1206 HydrophobicContact CG1-CG 4.13Å; V1202-L1206 WeakPolarHBondContact O-CB 3.42Å; V1202-L1206 WeakPolarHBondContact O-CG 3.34Å; V1202-L1206 PolarHBondContact O-N 3.25Å; M1203-L1206 PolarHBondContact O-N 3.1Å; M1203-L1206 HydrophobicContact SD-CD1 4.06Å; L1206-A1208 VanDerWaalsContact C-N 3.34Å; L1206-A1208 PolarHBondContact O-N 2.9Å; L1206-L1209 CarbonylContact O-C 3.51Å; L1206-L1209 WeakPolarHBondContact O-CA 3.38Å; L1206-L1209 PolarHBondContact O-N 3.2Å; L1206-L1209 VanDerWaalsContact O-N 3.13Å; L1206-R1210 VanDerWaalsContact O-CG 3.3Å; L1206-R1210 WeakPolarHBondContact O-CG 3.37Å; L1206-R1210 PolarHBondContact O-N 3.2Å
1207	E	90.3	Very high	88.5	Confident	82.2 Å²	82.2	51.9 Å²	51.9	38%	0.384	26%	0.262	S	S	.	.	H	α-helix	trans	-64.7	-41	178.1	-165.5	58.8	-147.6	0	0	111.8	M1203 L1209 R1210 N1211 R1564	M1203-E1207 VanDerWaalsContact O-CB 3.28Å; M1203-E1207 WeakPolarHBondContact O-CB 3.39Å; M1203-E1207 PolarHBondContact O-N 3.23Å; E1207-L1209 VanDerWaalsContact C-N 3.31Å; E1207-L1209 PolarHBondContact O-N 3.18Å; E1207-R1210 WeakPolarHBondContact O-CB 3.43Å; E1207-R1210 PolarHBondContact O-N 3.06Å; E1207-R1210 VanDerWaalsContact OE2-CD 3.28Å; E1207-R1210 WeakPolarHBondContact OE2-CD 3.3Å; E1207-R1210 IonicContact OE2-CZ 3.13Å; E1207-R1210 IonicContact OE2-NE 3.2Å; E1207-R1210 IonicContact OE2-NH1 3.14Å; E1207-R1210 PolarHBondContact OE2-NH1 3.29Å; E1207-N1211 PolarHBondContact O-N 3.05Å; E1207-N1211 VanDerWaalsContact O-N 3.16Å; E1207-N1211 PolarHBondContact O-ND2 3.12Å; E1207-N1211 PolarHBondContact OE1-ND2 2.98Å; E1207-R1564 IonicContact OE1-NH1 2.59Å; E1207-R1564 PolarHBondContact OE1-NH1 2.99Å
1208	A	90.2	Very high	88.7	Confident	31.6 Å²	31.6	55.7 Å²	55.7	26%	0.261	28%	0.279	S	S	.	.	H	α-helix	trans	-57.8	-48.2	170.6	0	0	0	0	0	111.7	K1204 L1205 L1206 R1210 N1211 D1212 S1215 V1216	K1204-A1208 WeakPolarHBondContact O-CB 3.38Å; K1204-A1208 PolarHBondContact O-N 3.14Å; K1204-A1208 VanDerWaalsContact O-N 3.15Å; L1205-A1208 PolarHBondContact O-N 3.23Å; L1206-A1208 VanDerWaalsContact C-N 3.34Å; L1206-A1208 PolarHBondContact O-N 2.9Å; A1208-R1210 VanDerWaalsContact C-N 3.31Å; A1208-R1210 PolarHBondContact O-N 2.94Å; A1208-N1211 PolarHBondContact O-N 3Å; A1208-N1211 VanDerWaalsContact O-N 3.12Å; A1208-D1212 CarbonylContact O-C 3.54Å; A1208-D1212 PolarHBondContact O-N 3.01Å; A1208-D1212 VanDerWaalsContact O-O 3.09Å; A1208-S1215 VanDerWaalsContact C-OG 3.29Å; A1208-S1215 WeakPolarHBondContact CB-OG 3.43Å; A1208-S1215 PolarHBondContact O-OG 3.01Å; A1208-S1215 VanDerWaalsContact O-OG 3.06Å; A1208-V1216 HydrophobicContact CB-CG2 3.61Å
1209	L	90	Very high	88.9	Confident	3.4 Å²	3.4	60.4 Å²	60.4	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-66.2	-25.2	177.8	-73.6	171.1	0	0	0	114.7	V1130 I1133 P1147 L1172 L1205 L1206 E1207 D1212 V1213 V1216	V1130-L1209 HydrophobicContact CG2-CD1 4.44Å; I1133-L1209 HydrophobicContact CD1-CD1 4.38Å; I1133-L1209 HydrophobicContact CD1-CD2 3.66Å; P1147-L1209 HydrophobicContact CB-CD1 3.85Å; P1147-L1209 HydrophobicContact CG-CD1 3.95Å; L1172-L1209 HydrophobicContact CD2-CB 3.78Å; L1205-L1209 WeakPolarHBondContact O-CB 3.37Å; L1205-L1209 VanDerWaalsContact O-CG 3.29Å; L1205-L1209 WeakPolarHBondContact O-CG 3.33Å; L1205-L1209 PolarHBondContact O-N 3.13Å; L1205-L1209 VanDerWaalsContact O-N 3.08Å; L1206-L1209 CarbonylContact O-C 3.51Å; L1206-L1209 WeakPolarHBondContact O-CA 3.38Å; L1206-L1209 PolarHBondContact O-N 3.2Å; L1206-L1209 VanDerWaalsContact O-N 3.13Å; E1207-L1209 VanDerWaalsContact C-N 3.31Å; E1207-L1209 PolarHBondContact O-N 3.18Å; L1209-D1212 WeakPolarHBondContact CA-O 3.23Å; L1209-D1212 CarbonylContact O-C 3.58Å; L1209-V1213 WeakPolarHBondContact CD2-O 3.4Å; L1209-V1213 PolarHBondContact O-N 3.02Å; L1209-V1216 HydrophobicContact CD2-CB 3.86Å; L1209-V1216 HydrophobicContact CD2-CG2 4.18Å; L1209-V1216 HydrophobicContact CG-CB 4.04Å; L1209-V1216 HydrophobicContact CG-CG2 3.89Å
1210	R	87.4	Confident	89	Confident	87.8 Å²	87.8	62.2 Å²	62.2	33%	0.331	31%	0.313	S	S	.	.	H	α-helix	trans	-69.7	-39.2	170.9	-73.8	170.9	-173.2	141.9	3.8	111.8	L1172 D1174 L1206 E1207 A1208	L1172-R1210 HydrophobicContact CB-CG 4.46Å; L1172-R1210 HydrophobicContact CD2-CG 4.07Å; L1172-R1210 VanDerWaalsContact O-CZ 3.25Å; L1172-R1210 PolarHBondContact O-NE 3.11Å; L1172-R1210 PolarHBondContact O-NH2 3.35Å; D1174-R1210 PolarHBondContact O-NH2 3.23Å; D1174-R1210 VanDerWaalsContact O-NH2 3.15Å; L1206-R1210 VanDerWaalsContact O-CG 3.3Å; L1206-R1210 WeakPolarHBondContact O-CG 3.37Å; L1206-R1210 PolarHBondContact O-N 3.2Å; E1207-R1210 WeakPolarHBondContact O-CB 3.43Å; E1207-R1210 PolarHBondContact O-N 3.06Å; E1207-R1210 VanDerWaalsContact OE2-CD 3.28Å; E1207-R1210 WeakPolarHBondContact OE2-CD 3.3Å; E1207-R1210 IonicContact OE2-CZ 3.13Å; E1207-R1210 IonicContact OE2-NE 3.2Å; E1207-R1210 IonicContact OE2-NH1 3.14Å; E1207-R1210 PolarHBondContact OE2-NH1 3.29Å; A1208-R1210 VanDerWaalsContact C-N 3.31Å; A1208-R1210 PolarHBondContact O-N 2.94Å
1211	N	85.4	Confident	89.1	Confident	123.8 Å²	123.8	60.6 Å²	60.6	66%	0.662	31%	0.308	S	S	*	.	H	α-helix	trans	-79.4	-41.7	-178.4	-73.5	-81.3	0	0	0	111.8	E1207 A1208	E1207-N1211 PolarHBondContact O-N 3.05Å; E1207-N1211 VanDerWaalsContact O-N 3.16Å; E1207-N1211 PolarHBondContact O-ND2 3.12Å; E1207-N1211 PolarHBondContact OE1-ND2 2.98Å; A1208-N1211 PolarHBondContact O-N 3Å; A1208-N1211 VanDerWaalsContact O-N 3.12Å
1212	D	85.5	Confident	89.1	Confident	75.4 Å²	75.4	62.4 Å²	62.4	40%	0.403	31%	0.311	S	S	.	.			trans	-152.3	124.9	167.9	168.7	31.4	0	0	0	110.8	A1208 L1209 H1214 S1215	A1208-D1212 CarbonylContact O-C 3.54Å; A1208-D1212 PolarHBondContact O-N 3.01Å; A1208-D1212 VanDerWaalsContact O-O 3.09Å; L1209-D1212 WeakPolarHBondContact CA-O 3.23Å; L1209-D1212 CarbonylContact O-C 3.58Å; D1212-H1214 VanDerWaalsContact CG-N 3.31Å; D1212-H1214 PolarHBondContact O-N 3.25Å; D1212-H1214 VanDerWaalsContact O-N 3.15Å; D1212-H1214 WeakPolarHBondContact OD1-CB 3.35Å; D1212-H1214 IonicContact OD1-CD2 3.07Å; D1212-H1214 IonicContact OD1-CG 3.42Å; D1212-H1214 PolarHBondContact OD1-N 3.04Å; D1212-H1214 VanDerWaalsContact OD2-C 3.31Å; D1212-H1214 WeakPolarHBondContact OD2-CA 3.28Å; D1212-H1214 WeakPolarHBondContact OD2-CB 3.34Å; D1212-H1214 PolarHBondContact OD2-N 3.14Å; D1212-S1215 WeakPolarHBondContact O-CB 3.27Å; D1212-S1215 PolarHBondContact O-N 2.92Å; D1212-S1215 VanDerWaalsContact O-N 3.1Å; D1212-S1215 PolarHBondContact O-OG 2.99Å; D1212-S1215 PolarHBondContact OD2-N 3.04Å; D1212-S1215 VanDerWaalsContact OD2-N 3.11Å
1213	V	83.4	Confident	89	Confident	38.6 Å²	38.6	65.5 Å²	65.5	23%	0.234	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20	177.7	-177	0	0	0	0	112.3	I1133 L1209	I1133-V1213 HydrophobicContact CD1-CG1 4.37Å; I1133-V1213 HydrophobicContact CG2-CG1 4.37Å; L1209-V1213 WeakPolarHBondContact CD2-O 3.4Å; L1209-V1213 PolarHBondContact O-N 3.02Å
1214	H	83.1	Confident	88.8	Confident	149.8 Å²	149.8	64.4 Å²	64.4	69%	0.694	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-8.3	177.6	-61.2	-73.6	0	0	0	114.4	D1212 V1216	D1212-H1214 VanDerWaalsContact CG-N 3.31Å; D1212-H1214 PolarHBondContact O-N 3.25Å; D1212-H1214 VanDerWaalsContact O-N 3.15Å; D1212-H1214 WeakPolarHBondContact OD1-CB 3.35Å; D1212-H1214 IonicContact OD1-CD2 3.07Å; D1212-H1214 IonicContact OD1-CG 3.42Å; D1212-H1214 PolarHBondContact OD1-N 3.04Å; D1212-H1214 VanDerWaalsContact OD2-C 3.31Å; D1212-H1214 WeakPolarHBondContact OD2-CA 3.28Å; D1212-H1214 WeakPolarHBondContact OD2-CB 3.34Å; D1212-H1214 PolarHBondContact OD2-N 3.14Å; H1214-V1216 VanDerWaalsContact C-N 3.32Å; H1214-V1216 PolarHBondContact O-N 3.03Å
1215	S	86	Confident	88.5	Confident	58.2 Å²	58.2	63.6 Å²	63.6	41%	0.407	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-34.6	-179.3	65.8	0	0	0	0	113.4	A1208 D1212 K1217	A1208-S1215 VanDerWaalsContact C-OG 3.29Å; A1208-S1215 WeakPolarHBondContact CB-OG 3.43Å; A1208-S1215 PolarHBondContact O-OG 3.01Å; A1208-S1215 VanDerWaalsContact O-OG 3.06Å; D1212-S1215 WeakPolarHBondContact O-CB 3.27Å; D1212-S1215 PolarHBondContact O-N 2.92Å; D1212-S1215 VanDerWaalsContact O-N 3.1Å; D1212-S1215 PolarHBondContact O-OG 2.99Å; D1212-S1215 PolarHBondContact OD2-N 3.04Å; D1212-S1215 VanDerWaalsContact OD2-N 3.11Å; S1215-K1217 PolarHBondContact O-N 3.1Å
1216	V	87.7	Confident	87.7	Confident	6.2 Å²	6.2	64.2 Å²	64.2	4%	0.038	32%	0.32	C	S	.	.	S	Bend	trans	-98.1	106.5	179.2	179.6	0	0	0	0	109.6	V1130 L1205 A1208 L1209 H1214 L1218 Y1222	V1130-V1216 HydrophobicContact CB-CG1 4.13Å; V1130-V1216 HydrophobicContact CG2-CG1 3.71Å; L1205-V1216 HydrophobicContact CD2-CG1 4.05Å; L1205-V1216 HydrophobicContact CD2-CG2 3.92Å; A1208-V1216 HydrophobicContact CB-CG2 3.61Å; L1209-V1216 HydrophobicContact CD2-CB 3.86Å; L1209-V1216 HydrophobicContact CD2-CG2 4.18Å; L1209-V1216 HydrophobicContact CG-CB 4.04Å; L1209-V1216 HydrophobicContact CG-CG2 3.89Å; H1214-V1216 VanDerWaalsContact C-N 3.32Å; H1214-V1216 PolarHBondContact O-N 3.03Å; V1216-L1218 PolarHBondContact O-N 3.22Å; V1216-Y1222 WeakPolarHBondContact CA-OH 3.17Å; V1216-Y1222 HydrophobicContact CG1-CE2 3.94Å
1217	K	89.3	Confident	86.7	Confident	129.6 Å²	129.6	70.2 Å²	70.2	56%	0.563	35%	0.349	S	S	*	.			trans	-61.4	126.1	175.9	-69.8	-178.2	-176.9	176.3	0	110.9	S1215 N1219 Q1220 Y1222 D1299	S1215-K1217 PolarHBondContact O-N 3.1Å; K1217-N1219 PolarHBondContact O-N 3.28Å; K1217-Q1220 HydrophobicContact CB-CB 3.76Å; K1217-Q1220 HydrophobicContact CB-CG 4.38Å; K1217-Q1220 HydrophobicContact CD-CB 4.38Å; K1217-Q1220 HydrophobicContact CD-CG 4.39Å; K1217-Q1220 VanDerWaalsContact O-CB 3.28Å; K1217-Q1220 WeakPolarHBondContact O-CB 3.3Å; K1217-Q1220 PolarHBondContact O-N 3.05Å; K1217-Y1222 PolarHBondContact N-OH 3.09Å; K1217-Y1222 VanDerWaalsContact N-OH 3.16Å; K1217-D1299 IonicContact NZ-OD1 2.73Å; K1217-D1299 PolarHBondContact NZ-OD1 3.2Å; K1217-D1299 IonicContact NZ-OD2 3.57Å; K1217-D1299 PolarHBondContact NZ-OD2 3.26Å
1218	L	90.8	Very high	85.1	Confident	90.6 Å²	90.6	70.6 Å²	70.6	47%	0.474	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	139.1	171.9	-73.6	174.3	0	0	0	110.9	V1130 I1133 V1216 Q1220	V1130-L1218 HydrophobicContact CB-CD2 4.44Å; V1130-L1218 HydrophobicContact CG1-CD2 3.93Å; V1130-L1218 CarbonylContact O-C 3.53Å; V1130-L1218 WeakPolarHBondContact O-CA 3.39Å; I1133-L1218 HydrophobicContact CD1-CD2 3.8Å; I1133-L1218 HydrophobicContact CD1-CG 4.42Å; I1133-L1218 HydrophobicContact CG1-CD2 3.98Å; V1216-L1218 PolarHBondContact O-N 3.22Å; L1218-Q1220 PolarHBondContact O-N 3.05Å; L1218-Q1220 VanDerWaalsContact O-N 3.13Å
1219	N	90.9	Very high	83.3	Confident	98.8 Å²	98.8	70.9 Å²	70.9	53%	0.528	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	13.2	-176.9	-59.9	-62.3	0	0	0	115.9	V1130 T1131 K1217	V1130-N1219 PolarHBondContact O-N 3.32Å; T1131-N1219 WeakPolarHBondContact CA-OD1 3.38Å; T1131-N1219 PolarHBondContact O-ND2 3.4Å; K1217-N1219 PolarHBondContact O-N 3.28Å
1220	Q	91.4	Very high	81.2	Confident	66 Å²	66	76.8 Å²	76.8	31%	0.308	40%	0.395	S	S	.	.			trans	-75	133.7	167.3	178.6	61.2	61.7	0	0	110.6	R1129 K1217 L1218 Y1222 P1297 L1298	R1129-Q1220 WeakPolarHBondContact CG-O 3.36Å; K1217-Q1220 HydrophobicContact CB-CB 3.76Å; K1217-Q1220 HydrophobicContact CB-CG 4.38Å; K1217-Q1220 HydrophobicContact CD-CB 4.38Å; K1217-Q1220 HydrophobicContact CD-CG 4.39Å; K1217-Q1220 VanDerWaalsContact O-CB 3.28Å; K1217-Q1220 WeakPolarHBondContact O-CB 3.3Å; K1217-Q1220 PolarHBondContact O-N 3.05Å; L1218-Q1220 PolarHBondContact O-N 3.05Å; L1218-Q1220 VanDerWaalsContact O-N 3.13Å; Q1220-Y1222 HydrophobicContact CB-CE2 3.87Å; Q1220-Y1222 HydrophobicContact CG-CD2 4.43Å; Q1220-Y1222 HydrophobicContact CG-CE1 4.22Å; Q1220-Y1222 HydrophobicContact CG-CE2 3.88Å; Q1220-Y1222 VanDerWaalsContact O-CD2 3.29Å; Q1220-Y1222 WeakPolarHBondContact O-CD2 3.35Å; Q1220-Y1222 VanDerWaalsContact O-CE2 3.3Å; Q1220-Y1222 WeakPolarHBondContact O-CE2 3.24Å; Q1220-P1297 HydrophobicContact CG-CB 3.95Å; Q1220-L1298 PolarHBondContact NE2-O 2.83Å
1221	D	91.8	Very high	78.8	Confident	48.8 Å²	48.8	78 Å²	78	26%	0.261	41%	0.412	S	S	.	.			trans	-80.6	125.3	171.4	-76.5	-0.3	0	0	0	110.5	R1125 I1127 R1129 L1298	R1125-D1221 IonicContact NH2-OD2 2.77Å; R1125-D1221 PolarHBondContact NH2-OD2 3.15Å; I1127-D1221 HydrophobicContact CG2-CB 3.87Å; I1127-D1221 VanDerWaalsContact CG2-CG 3.5Å; I1127-D1221 WeakPolarHBondContact CG2-OD1 3.3Å; I1127-D1221 WeakPolarHBondContact CG2-OD2 3.5Å; R1129-D1221 IonicContact CZ-OD1 3.18Å; R1129-D1221 VanDerWaalsContact CZ-OD1 3.22Å; R1129-D1221 IonicContact CZ-OD2 3.74Å; R1129-D1221 IonicContact NE-OD1 3.12Å; R1129-D1221 PolarHBondContact NE-OD1 2.99Å; R1129-D1221 IonicContact NE-OD2 2.67Å; R1129-D1221 VanDerWaalsContact NH2-CG 3.33Å; R1129-D1221 IonicContact NH2-OD1 2.86Å; R1129-D1221 PolarHBondContact NH2-OD1 3.22Å; R1129-D1221 IonicContact NH2-OD2 3.06Å; R1129-D1221 PolarHBondContact NH2-OD2 3.18Å; D1221-L1298 HydrophobicContact CB-CB 4.38Å; D1221-L1298 PolarHBondContact O-N 3.05Å
1222	Y	91.2	Very high	76.3	Confident	48.8 Å²	48.8	74.4 Å²	74.4	19%	0.191	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.5	169.8	-59.9	-89.5	0	0	0	108.1	I1127 L1128 L1205 V1216 K1217 Q1220 I1295 Q1296 P1297	I1127-Y1222 WeakPolarHBondContact CA-O 3.27Å; L1128-Y1222 PolarHBondContact N-O 3.01Å; L1128-Y1222 WeakPolarHBondContact O-CA 3.24Å; L1128-Y1222 WeakPolarHBondContact O-CB 3.44Å; L1128-Y1222 WeakPolarHBondContact O-CD2 3.48Å; L1128-Y1222 PolarHBondContact O-N 2.96Å; L1205-Y1222 HydrophobicContact CD1-CD2 4.05Å; L1205-Y1222 HydrophobicContact CD1-CE2 4.43Å; L1205-Y1222 HydrophobicContact CD1-CG 4.35Å; L1205-Y1222 HydrophobicContact CD2-CD1 4.12Å; L1205-Y1222 HydrophobicContact CD2-CD2 4.15Å; L1205-Y1222 HydrophobicContact CD2-CE1 4.07Å; L1205-Y1222 HydrophobicContact CD2-CE2 4.12Å; L1205-Y1222 HydrophobicContact CD2-CG 4.17Å; V1216-Y1222 WeakPolarHBondContact CA-OH 3.17Å; V1216-Y1222 HydrophobicContact CG1-CE2 3.94Å; K1217-Y1222 PolarHBondContact N-OH 3.09Å; K1217-Y1222 VanDerWaalsContact N-OH 3.16Å; Q1220-Y1222 HydrophobicContact CB-CE2 3.87Å; Q1220-Y1222 HydrophobicContact CG-CD2 4.43Å; Q1220-Y1222 HydrophobicContact CG-CE1 4.22Å; Q1220-Y1222 HydrophobicContact CG-CE2 3.88Å; Q1220-Y1222 VanDerWaalsContact O-CD2 3.29Å; Q1220-Y1222 WeakPolarHBondContact O-CD2 3.35Å; Q1220-Y1222 VanDerWaalsContact O-CE2 3.3Å; Q1220-Y1222 WeakPolarHBondContact O-CE2 3.24Å; Y1222-I1295 HydrophobicContact CD1-CG2 4.08Å; Y1222-I1295 HydrophobicContact CG-CG2 4.28Å; Y1222-Q1296 WeakPolarHBondContact CA-O 3.48Å; Y1222-P1297 HydrophobicContact CD1-CB 4.27Å; Y1222-P1297 HydrophobicContact CE1-CB 3.89Å
1223	I	89.6	Confident	73.8	Confident	64.8 Å²	64.8	78.6 Å²	78.6	33%	0.332	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	134.7	-175.8	-58.6	174.1	0	0	0	109.5	R1125 Y1126 I1127 Y1225 Q1296 L1298	R1125-I1223 HydrophobicContact CB-CG2 4.35Å; R1125-I1223 HydrophobicContact CG-CG2 3.69Å; Y1126-I1223 WeakPolarHBondContact O-CA 3.37Å; I1127-I1223 HydrophobicContact CG1-CG1 4.49Å; I1223-Y1225 HydrophobicContact CG2-CD2 4.41Å; I1223-Y1225 HydrophobicContact CG2-CE2 3.93Å; I1223-Q1296 PolarHBondContact N-O 3.44Å; I1223-Q1296 VanDerWaalsContact N-O 3.14Å; I1223-L1298 HydrophobicContact CD1-CD1 3.88Å; I1223-L1298 HydrophobicContact CD1-CD2 4.41Å; I1223-L1298 HydrophobicContact CG1-CD1 4.39Å
1224	F	87	Confident	71.4	Confident	20.6 Å²	20.6	83.6 Å²	83.6	9%	0.09	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	170.1	171.4	72	-80	0	0	0	111.7	Y1126 L1128 L1151 A1197 A1198 P1226 F1292 I1295	Y1126-F1224 VanDerWaalsContact CB-CZ 3.41Å; Y1126-F1224 WeakPolarHBondContact CB-O 3.39Å; Y1126-F1224 AromaticContact CD1-CE2 3.93Å; Y1126-F1224 HydrophobicContact CD1-CE2 4.3Å; Y1126-F1224 AromaticContact CD1-CZ 3.81Å; Y1126-F1224 HydrophobicContact CD1-CZ 4.22Å; Y1126-F1224 HydrophobicContact CG-CD2 4.39Å; Y1126-F1224 AromaticContact CG-CE2 3.84Å; Y1126-F1224 HydrophobicContact CG-CE2 4.22Å; Y1126-F1224 AromaticContact CG-CZ 3.91Å; Y1126-F1224 HydrophobicContact CG-CZ 4.25Å; Y1126-F1224 PolarHBondContact N-O 3.14Å; Y1126-F1224 PolarHBondContact O-N 3.07Å; Y1126-F1224 VanDerWaalsContact O-N 3.09Å; L1128-F1224 HydrophobicContact CB-CD1 4.26Å; L1128-F1224 HydrophobicContact CB-CE1 4.1Å; L1151-F1224 HydrophobicContact CD1-CE1 3.84Å; L1151-F1224 HydrophobicContact CD1-CZ 3.84Å; A1197-F1224 HydrophobicContact CB-CD2 4.21Å; A1197-F1224 HydrophobicContact CB-CE2 4.23Å; A1198-F1224 HydrophobicContact CB-CE2 4.04Å; A1198-F1224 HydrophobicContact CB-CZ 3.75Å; F1224-P1226 HydrophobicContact CD2-CG 4.28Å; F1224-P1226 HydrophobicContact CE2-CG 4.11Å; F1224-F1292 AromaticContact CD2-CE1 3.9Å; F1224-F1292 HydrophobicContact CD2-CE1 3.9Å; F1224-I1295 HydrophobicContact CB-CG1 4.21Å
1225	Y	82.8	Confident	69	Low	97 Å²	97	85 Å²	85	38%	0.38	45%	0.451	S	S	.	.			trans	-138.7	121.4	176.7	-65.2	-77	0	0	0	109.2	K1123 P1124 R1125 Y1126 I1223 Q1227	K1123-Y1225 HydrophobicContact CB-CD1 3.53Å; K1123-Y1225 HydrophobicContact CB-CE1 4.13Å; K1123-Y1225 HydrophobicContact CB-CG 4.35Å; K1123-Y1225 HydrophobicContact CD-CD1 4.06Å; K1123-Y1225 HydrophobicContact CD-CE1 4.3Å; K1123-Y1225 HydrophobicContact CD-CG 4.14Å; K1123-Y1225 HydrophobicContact CG-CD1 4.27Å; K1123-Y1225 HydrophobicContact CG-CE1 4.31Å; P1124-Y1225 WeakPolarHBondContact O-CD1 3.29Å; P1124-Y1225 WeakPolarHBondContact O-CE1 3.34Å; R1125-Y1225 HydrophobicContact CB-CE1 4.05Å; Y1126-Y1225 HydrophobicContact CD2-CD1 4.06Å; Y1126-Y1225 HydrophobicContact CE2-CD1 4.45Å; I1223-Y1225 HydrophobicContact CG2-CD2 4.41Å; I1223-Y1225 HydrophobicContact CG2-CE2 3.93Å; Y1225-Q1227 PolarHBondContact O-N 2.97Å
1226	P	77.3	Confident	66.5	Low	25.4 Å²	25.4	89.1 Å²	89.1	17%	0.165	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-58.7	131.4	172.2	-23	33	0	0	0	111.1	Y1126 I1194 A1197 F1224 P1228	Y1126-P1226 HydrophobicContact CD1-CG 4.11Å; Y1126-P1226 VanDerWaalsContact CD2-CD 3.45Å; Y1126-P1226 HydrophobicContact CD2-CG 4.07Å; Y1126-P1226 HydrophobicContact CE1-CG 3.85Å; Y1126-P1226 VanDerWaalsContact CE2-CD 3.47Å; Y1126-P1226 HydrophobicContact CE2-CG 3.82Å; Y1126-P1226 VanDerWaalsContact CE2-CG 3.42Å; Y1126-P1226 HydrophobicContact CG-CG 4.24Å; I1194-P1226 HydrophobicContact CB-CG 4.35Å; I1194-P1226 HydrophobicContact CG1-CB 4.23Å; I1194-P1226 HydrophobicContact CG1-CG 3.85Å; A1197-P1226 HydrophobicContact CB-CB 4.05Å; A1197-P1226 HydrophobicContact CB-CG 3.94Å; F1224-P1226 HydrophobicContact CD2-CG 4.28Å; F1224-P1226 HydrophobicContact CE2-CG 4.11Å; P1226-P1228 WeakPolarHBondContact O-CD 3.41Å
1227	Q	69	Low	63.8	Low	127.4 Å²	127.4	96.1 Å²	96.1	60%	0.595	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-83.2	121.6	165.9	-64.5	-102.3	16.7	0	0	108.2	R1196 Y1225 S1229 N1291	R1196-Q1227 PolarHBondContact NH2-O 3.04Å; Y1225-Q1227 PolarHBondContact O-N 2.97Å; Q1227-S1229 PolarHBondContact O-N 3.09Å; Q1227-N1291 VanDerWaalsContact CG-O 3.26Å; Q1227-N1291 WeakPolarHBondContact CG-O 3.3Å; Q1227-N1291 PolarHBondContact NE2-O 2.82Å
1228	P	57.8	Low	60.9	Low	89.6 Å²	89.6	100.5 Å²	100.5	58%	0.582	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-64.6	128.9	175	27.8	-33.2	0	0	0	108.9	P1226 T1230 F1233	P1226-P1228 WeakPolarHBondContact O-CD 3.41Å; P1228-T1230 PolarHBondContact O-N 2.98Å; P1228-T1230 VanDerWaalsContact O-N 3.13Å; P1228-F1233 HydrophobicContact CB-CD2 4.31Å; P1228-F1233 HydrophobicContact CB-CE2 3.77Å
1229	S	52.5	Low	58	Low	39 Å²	39	101.3 Å²	101.3	27%	0.273	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-64.6	132.6	174.5	53.3	0	0	0	0	110.1	D1193 R1196 Q1227 V1231	D1193-S1229 VanDerWaalsContact OD1-CB 3.27Å; D1193-S1229 WeakPolarHBondContact OD1-CB 3.36Å; D1193-S1229 PolarHBondContact OD1-OG 3.29Å; D1193-S1229 VanDerWaalsContact OD2-CB 3.31Å; D1193-S1229 WeakPolarHBondContact OD2-CB 3.3Å; D1193-S1229 PolarHBondContact OD2-N 3.39Å; D1193-S1229 PolarHBondContact OD2-OG 3.14Å; R1196-S1229 PolarHBondContact NH2-OG 3.14Å; Q1227-S1229 PolarHBondContact O-N 3.09Å; S1229-V1231 VanDerWaalsContact C-N 3.28Å; S1229-V1231 PolarHBondContact O-N 3.17Å; S1229-V1231 VanDerWaalsContact O-N 3.11Å
1230	T	44.2	Very low	55	Low	126.6 Å²	126.6	102.6 Å²	102.6	78%	0.777	54%	0.542	S	S	*	.	S	Bend	trans	-70	21.3	178.5	26.3	0	0	0	0	112.7	P1228 G1232 N1285	P1228-T1230 PolarHBondContact O-N 2.98Å; P1228-T1230 VanDerWaalsContact O-N 3.13Å; T1230-G1232 PolarHBondContact O-N 3.09Å; T1230-N1285 HydrophobicContact CG2-CB 3.72Å
1231	V	37.7	Very low	52.2	Low	112.8 Å²	112.8	105.5 Å²	105.5	68%	0.684	56%	0.564	S	S	*	*	S	Bend	trans	-105.5	75.3	-177	-153.7	0	0	0	0	110.9	S1229	S1229-V1231 VanDerWaalsContact C-N 3.28Å; S1229-V1231 PolarHBondContact O-N 3.17Å; S1229-V1231 VanDerWaalsContact O-N 3.11Å
1232	G	33.5	Very low	49.2	Very low	48.4 Å²	48.4	110.1 Å²	110.1	50%	0.499	59%	0.589	S	S	.	*	S	Bend	trans	140.7	3.9	165.6	0	0	0	0	0	117.6	T1230 D1234 Q1235	T1230-G1232 PolarHBondContact O-N 3.09Å; G1232-D1234 PolarHBondContact O-N 3.03Å; G1232-Q1235 PolarHBondContact O-N 3.49Å
1233	F	32.9	Very low	46.3	Very low	163.8 Å²	163.8	115.4 Å²	115.4	72%	0.718	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-90.6	-5.3	178.3	-92.8	-80.9	0	0	0	114.7	V1190 P1228 Q1235	V1190-F1233 HydrophobicContact CG2-CE2 3.74Å; V1190-F1233 HydrophobicContact CG2-CZ 4.24Å; P1228-F1233 HydrophobicContact CB-CD2 4.31Å; P1228-F1233 HydrophobicContact CB-CE2 3.77Å; F1233-Q1235 VanDerWaalsContact C-N 3.33Å; F1233-Q1235 PolarHBondContact O-N 3.11Å
1234	D	32.9	Very low	43.3	Very low	143.8 Å²	143.8	116.9 Å²	116.9	77%	0.769	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-87.2	13.4	175.4	-87.6	-46.1	0	0	0	113.2	G1232 I1236	G1232-D1234 PolarHBondContact O-N 3.03Å; D1234-I1236 VanDerWaalsContact C-N 3.27Å; D1234-I1236 PolarHBondContact O-N 3.2Å
1235	Q	32.2	Very low	40.6	Very low	179.2 Å²	179.2	123.3 Å²	123.3	84%	0.837	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-101.7	21.7	-178.5	-75.9	-178	34.7	0	0	114.4	G1232 F1233	G1232-Q1235 PolarHBondContact O-N 3.49Å; F1233-Q1235 VanDerWaalsContact C-N 3.33Å; F1233-Q1235 PolarHBondContact O-N 3.11Å
1236	I	34.1	Very low	38	Very low	143.2 Å²	143.2	123.2 Å²	123.2	73%	0.734	69%	0.69	S	S	*	*	S	Bend	trans	-121.7	14.2	170.3	-71.1	166	0	0	0	110.4	D1234	D1234-I1236 VanDerWaalsContact C-N 3.27Å; D1234-I1236 PolarHBondContact O-N 3.2Å
1237	N	30.9	Very low	35.8	Very low	154.6 Å²	154.6	127.2 Å²	127.2	83%	0.827	72%	0.716	S	S	*	*	S	Bend	trans	-146.7	33	179.8	-81.5	-40.6	0	0	0	115.2	P1239	N1237-P1239 WeakPolarHBondContact O-CD 3.49Å
1238	R	28.5	Very low	33.8	Very low	221.8 Å²	221.8	128.4 Å²	128.4	84%	0.837	73%	0.726	S	S	*	*			trans	-117.7	117.6	168.3	-117.8	-174.6	-175.5	-150.9	2.8	111.8
1239	P	29.6	Very low	32.4	Very low	107 Å²	107	132.2 Å²	132.2	70%	0.695	73%	0.733	S	S	*	*			trans	-68.7	150	170.7	29.9	-34	0	0	0	110.9	N1237 T1241	N1237-P1239 WeakPolarHBondContact O-CD 3.49Å; P1239-T1241 PolarHBondContact O-N 2.92Å; P1239-T1241 PolarHBondContact O-OG1 3.04Å
1240	P	28.1	Very low	31.2	Very low	125.8 Å²	125.8	138.4 Å²	138.4	82%	0.817	76%	0.758	S	S	*	*			trans	-78.4	128.2	-168.6	30.6	-35.5	0	0	0	112.8	N1242	P1240-N1242 PolarHBondContact O-N 3.35Å
1241	T	31.4	Very low	30.4	Very low	128 Å²	128	137.5 Å²	137.5	79%	0.785	76%	0.757	S	S	*	*			trans	-110.8	120.6	165.7	11.2	0	0	0	0	110.8	P1239	P1239-T1241 PolarHBondContact O-N 2.92Å; P1239-T1241 PolarHBondContact O-OG1 3.04Å
1242	N	29.2	Very low	29.9	Very low	144.8 Å²	144.8	136.8 Å²	136.8	77%	0.774	76%	0.758	S	S	*	*			trans	-78.5	144.9	170.1	-98.2	-54.6	0	0	0	113.8	P1240	P1240-N1242 PolarHBondContact O-N 3.35Å
1243	L	29.9	Very low	29.7	Very low	160.4 Å²	160.4	140.6 Å²	140.6	84%	0.84	77%	0.771	S	S	*	*			trans	61.5	130.4	155.4	-68.6	146.9	0	0	0	114.1
1244	S	28.2	Very low	29.5	Very low	96.4 Å²	96.4	138.3 Å²	138.3	67%	0.674	77%	0.772	S	S	*	*			cis	143.3	146.6	49.3	-171.6	0	0	0	0	112.3
1245	N	29.1	Very low	29.6	Very low	153.4 Å²	153.4	136.9 Å²	136.9	82%	0.82	77%	0.771	S	S	*	*			trans	63.4	85.1	161.3	-56	-13.5	0	0	0	119.5
1246	A	28.8	Very low	29.4	Very low	95 Å²	95	135.3 Å²	135.3	79%	0.785	77%	0.768	S	S	*	*				-168.2	151.3	128.6	0	0	0	0	0	112.5
1247	P	30.8	Very low	29	Very low	110.4 Å²	110.4	133.4 Å²	133.4	72%	0.717	77%	0.766	S	S	*	*			trans	-114.8	150.3	-147.2	37	-28	0	0	0	114.2	F1249	P1247-F1249 HydrophobicContact CB-CD2 4.14Å; P1247-F1249 HydrophobicContact CB-CE2 3.95Å; P1247-F1249 HydrophobicContact CG-CD2 4.03Å; P1247-F1249 HydrophobicContact CG-CE2 3.67Å; P1247-F1249 PolarHBondContact O-N 3.05Å
1248	L	27.3	Very low	28.8	Very low	153.2 Å²	153.2	132.2 Å²	132.2	80%	0.802	76%	0.76	S	S	*	*			trans	-171.7	118.4	158.7	-99.8	134.8	0	0	0	114.2
1249	F	28.6	Very low	28.7	Very low	168.4 Å²	168.4	126.2 Å²	126.2	74%	0.739	75%	0.752	S	S	*	*			trans	24.6	132.5	140.2	-70.7	-80.5	0	0	0	116	P1247	P1247-F1249 HydrophobicContact CB-CD2 4.14Å; P1247-F1249 HydrophobicContact CB-CE2 3.95Å; P1247-F1249 HydrophobicContact CG-CD2 4.03Å; P1247-F1249 HydrophobicContact CG-CE2 3.67Å; P1247-F1249 PolarHBondContact O-N 3.05Å
1250	Q	26.7	Very low	28.6	Very low	168.8 Å²	168.8	126.1 Å²	126.1	79%	0.789	75%	0.75	S	S	*	*				66.2	119.1	74.7	-114.9	179.5	13.1	0	0	116.1
1251	S	27.3	Very low	28.7	Very low	107.8 Å²	107.8	125.7 Å²	125.7	75%	0.754	74%	0.74	S	S	*	*				-167.5	156.7	89.1	-153.4	0	0	0	0	109.6
1252	S	28.7	Very low	28.6	Very low	99.6 Å²	99.6	127.1 Å²	127.1	70%	0.697	74%	0.738	S	S	*	*			cis	173.7	140.9	8.5	48.8	0	0	0	0	110.9	P1254	S1252-P1254 WeakPolarHBondContact O-CD 3.28Å
1253	V	28.9	Very low	28.5	Very low	127.6 Å²	127.6	128.6 Å²	128.6	77%	0.773	74%	0.738	S	S	*	*			trans	-90.3	151.4	143.8	-163.2	0	0	0	0	108.1	P1255	V1253-P1255 WeakPolarHBondContact O-CD 3.37Å
1254	P	29.2	Very low	28.5	Very low	114.4 Å²	114.4	125.5 Å²	125.5	74%	0.743	73%	0.73	S	S	*	*				-122	158.9	114.2	31.5	-16.2	0	0	0	112.8	S1252	S1252-P1254 WeakPolarHBondContact O-CD 3.28Å
1255	P	33.1	Very low	28.6	Very low	114.8 Å²	114.8	128.7 Å²	128.7	75%	0.745	74%	0.739	S	S	*	*			trans	-98.1	173.9	-178.5	35.5	-27.9	0	0	0	113.7	V1253	V1253-P1255 WeakPolarHBondContact O-CD 3.37Å
1256	N	28.3	Very low	28.6	Very low	145.8 Å²	145.8	125 Å²	125	78%	0.78	74%	0.737	S	S	*	*			trans	-84.4	127.2	157.4	-158.5	23	0	0	0	115
1257	C	25.6	Very low	28.6	Very low	102.8 Å²	102.8	123.7 Å²	123.7	70%	0.695	73%	0.733	S	S	*	*			trans	-169.8	145.4	143.4	-93.2	0	0	0	0	114.1
1258	N	27.2	Very low	28.5	Very low	129.6 Å²	129.6	127.6 Å²	127.6	69%	0.693	74%	0.739	S	S	*	*			trans	25.7	152.7	152.3	-66.9	-27.4	0	0	0	118.1	E1293	N1258-E1293 PolarHBondContact ND2-OE1 3.17Å; N1258-E1293 PolarHBondContact ND2-OE2 3.08Å
1259	S	27.2	Very low	28.7	Very low	95.2 Å²	95.2	127.8 Å²	127.8	67%	0.666	74%	0.736	S	S	*	*				142.5	134.1	109.5	9.8	0	0	0	0	115.1	F1396	S1259-F1396 WeakPolarHBondContact O-CE1 3.37Å
1260	T	27.9	Very low	28.6	Very low	106.6 Å²	106.6	125.9 Å²	125.9	65%	0.654	73%	0.733	S	S	*	*				176.9	139.2	117.8	-37.2	0	0	0	0	114.9	F1396	T1260-F1396 HydrophobicContact CG2-CG 4.42Å; T1260-F1396 WeakPolarHBondContact O-CZ 3.5Å; T1260-F1396 WeakPolarHBondContact OG1-CA 3.35Å
1261	N	29.5	Very low	28.7	Very low	116.2 Å²	116.2	124.3 Å²	124.3	62%	0.621	74%	0.735	S	S	*	*				113.4	124.3	120.3	-85.2	-26.6	0	0	0	118.1	F1396	N1261-F1396 HydrophobicContact CB-CD2 4.08Å; N1261-F1396 HydrophobicContact CB-CE2 3.6Å; N1261-F1396 HydrophobicContact CB-CZ 4.24Å
1262	Q	28.8	Very low	28.8	Very low	157.6 Å²	157.6	122.4 Å²	122.4	74%	0.736	73%	0.733	S	S	*	*			trans	97.4	132.7	135.3	-74.4	174.3	78.4	0	0	116.1
1263	F	28.3	Very low	28.9	Very low	176 Å²	176	124.4 Å²	124.4	77%	0.772	74%	0.741	S	S	*	*				107.7	123.9	92.9	-79.3	-75.3	0	0	0	117.3
1264	S	28.8	Very low	28.8	Very low	96.2 Å²	96.2	124.3 Å²	124.3	67%	0.673	75%	0.745	S	S	*	*				109.9	136	122.2	-51.1	0	0	0	0	120.5
1265	N	29.6	Very low	28.7	Very low	163.6 Å²	163.6	126.8 Å²	126.8	88%	0.875	75%	0.751	S	S	*	*			trans	66	130.8	145.3	-76.2	-10.8	0	0	0	120.6
1266	G	29.7	Very low	28.6	Very low	75 Å²	75	126.7 Å²	126.7	77%	0.773	75%	0.751	S	S	*	*			trans	122.1	141.2	136	0	0	0	0	0	118
1267	G	28.6	Very low	28.4	Very low	67.6 Å²	67.6	125.3 Å²	125.3	70%	0.697	75%	0.751	S	S	*	*			trans	114.7	128.8	148.5	0	0	0	0	0	116.5	Q1269	G1267-Q1269 VanDerWaalsContact CA-N 3.28Å
1268	F	28.7	Very low	28.4	Very low	192.8 Å²	192.8	128.2 Å²	128.2	85%	0.846	76%	0.758	S	S	*	*			trans	58.4	118.9	145.5	-73.5	-78.7	0	0	0	117.5
1269	Q	31	Very low	28.4	Very low	158.4 Å²	158.4	126.4 Å²	126.4	74%	0.74	76%	0.755	S	S	*	*				92.7	129.3	122.5	-68.8	-172.6	42.9	0	0	119	G1267	G1267-Q1269 VanDerWaalsContact CA-N 3.28Å
1270	N	28.3	Very low	28.4	Very low	126.8 Å²	126.8	127.2 Å²	127.2	68%	0.678	76%	0.757	S	S	*	*			trans	94.5	135.9	133.7	-82.9	-28.6	0	0	0	120.1
1271	T	29.1	Very low	28.4	Very low	135.4 Å²	135.4	128.9 Å²	128.9	83%	0.831	76%	0.76	S	S	*	*			trans	69.4	120.4	140.5	51	0	0	0	0	118.4
1272	G	28.9	Very low	28.4	Very low	69.2 Å²	69.2	128.5 Å²	128.5	71%	0.713	76%	0.764	S	S	*	*			trans	143.6	106.7	157.5	0	0	0	0	0	118.2	C1274	G1272-C1274 PolarHBondContact O-N 2.98Å
1273	T	30.6	Very low	28.4	Very low	140.4 Å²	140.4	131.1 Å²	131.1	86%	0.861	77%	0.768	S	S	*	*			trans	50.2	133.5	158.5	47.1	0	0	0	0	118.6
1274	C	26	Very low	28.3	Very low	126.6 Å²	126.6	128.9 Å²	128.9	86%	0.855	77%	0.765	S	S	*	*			trans	114	133.6	158.9	-73.8	0	0	0	0	117.5	G1272 P1276	G1272-C1274 PolarHBondContact O-N 2.98Å; C1274-P1276 WeakPolarHBondContact O-CD 3.37Å
1275	L	27.7	Very low	28.2	Very low	166.4 Å²	166.4	130.3 Å²	130.3	87%	0.871	77%	0.765	S	S	*	*			trans	-118.9	167.9	166.3	-90.8	160.1	0	0	0	110
1276	P	30.2	Very low	28	Very low	112.8 Å²	112.8	126.5 Å²	126.5	73%	0.732	75%	0.751	S	S	*	*			trans	-118.5	158.3	-151.2	40.3	-26.6	0	0	0	116.8	C1274	C1274-P1276 WeakPolarHBondContact O-CD 3.37Å
1277	C	24.9	Very low	27.9	Very low	116.8 Å²	116.8	128.5 Å²	128.5	79%	0.789	75%	0.748	S	S	*	*			trans	-163.6	143.2	154.3	-77.7	0	0	0	0	116.8	S1279	C1277-S1279 PolarHBondContact O-N 3.2Å; C1277-S1279 VanDerWaalsContact O-N 3.11Å; C1277-S1279 PolarHBondContact O-OG 3.13Å
1278	I	26.4	Very low	27.9	Very low	162.4 Å²	162.4	132.6 Å²	132.6	83%	0.833	75%	0.753	S	S	*	*			trans	-152.2	131.8	157.5	-56.6	171.8	0	0	0	112.2	T1280	I1278-T1280 HydrophobicContact CG2-CG2 4.32Å; I1278-T1280 PolarHBondContact O-N 2.71Å; I1278-T1280 PolarHBondContact O-OG1 2.9Å
1279	S	25.4	Very low	27.8	Very low	92.4 Å²	92.4	130.4 Å²	130.4	65%	0.646	75%	0.749	S	S	*	*			trans	-160	130.6	174.3	157.9	0	0	0	0	111.2	C1277	C1277-S1279 PolarHBondContact O-N 3.2Å; C1277-S1279 VanDerWaalsContact O-N 3.11Å; C1277-S1279 PolarHBondContact O-OG 3.13Å
1280	T	27.7	Very low	27.6	Very low	113 Å²	113	127.5 Å²	127.5	69%	0.693	75%	0.746	S	S	*	*				100.2	108.8	78.2	-20.6	0	0	0	0	112.5	I1278	I1278-T1280 HydrophobicContact CG2-CG2 4.32Å; I1278-T1280 PolarHBondContact O-N 2.71Å; I1278-T1280 PolarHBondContact O-OG1 2.9Å
1281	I	28.2	Very low	27.6	Very low	142.2 Å²	142.2	127.3 Å²	127.3	73%	0.729	75%	0.745	S	S	*	*				62.7	135.5	112.2	-54.1	170.9	0	0	0	111.2	Y1283	I1281-Y1283 HydrophobicContact CG2-CD2 4.36Å; I1281-Y1283 HydrophobicContact CG2-CE2 4.25Å
1282	P	29.4	Very low	27.7	Very low	107 Å²	107	126.6 Å²	126.6	70%	0.695	73%	0.731	S	S	*	*			trans	-111.1	166.5	-143	33.5	-22.2	0	0	0	114.4	D1284	P1282-D1284 PolarHBondContact O-N 3.43Å; P1282-D1284 VanDerWaalsContact O-N 3.09Å
1283	Y	28.1	Very low	28	Very low	212.2 Å²	212.2	130.1 Å²	130.1	83%	0.832	73%	0.728	S	S	*	*			trans	-60.1	131	163.2	-75.7	-81.2	0	0	0	113.6	I1281 N1285	I1281-Y1283 HydrophobicContact CG2-CD2 4.36Å; I1281-Y1283 HydrophobicContact CG2-CE2 4.25Å; Y1283-N1285 PolarHBondContact O-N 3.38Å; Y1283-N1285 VanDerWaalsContact O-N 3.14Å
1284	D	26.7	Very low	28.2	Very low	129.8 Å²	129.8	130.1 Å²	130.1	69%	0.694	72%	0.718	S	S	*	*			trans	-73.5	147.1	179	-116.3	-35.1	0	0	0	114.1	P1282 S1286 T1287	P1282-D1284 PolarHBondContact O-N 3.43Å; P1282-D1284 VanDerWaalsContact O-N 3.09Å; D1284-S1286 PolarHBondContact O-N 3.5Å; D1284-S1286 WeakPolarHBondContact OD1-CB 3.36Å; D1284-S1286 PolarHBondContact OD1-N 2.89Å; D1284-S1286 PolarHBondContact OD1-OG 2.69Å; D1284-T1287 PolarHBondContact O-N 3.1Å; D1284-T1287 PolarHBondContact O-OG1 3.37Å
1285	N	27	Very low	29	Very low	126.4 Å²	126.4	128.8 Å²	128.8	68%	0.676	70%	0.702	S	S	*	*			trans	-97.6	93	168.5	-103.1	-38.6	0	0	0	114.3	T1230 Y1283 T1287	T1230-N1285 HydrophobicContact CG2-CB 3.72Å; Y1283-N1285 PolarHBondContact O-N 3.38Å; Y1283-N1285 VanDerWaalsContact O-N 3.14Å; N1285-T1287 PolarHBondContact O-N 3.49Å
1286	S	26.5	Very low	29.6	Very low	83.6 Å²	83.6	127.3 Å²	127.3	59%	0.585	69%	0.691	S	S	*	*			trans	-35.1	84.3	151.1	-48.6	0	0	0	0	116.5	D1284	D1284-S1286 PolarHBondContact O-N 3.5Å; D1284-S1286 WeakPolarHBondContact OD1-CB 3.36Å; D1284-S1286 PolarHBondContact OD1-N 2.89Å; D1284-S1286 PolarHBondContact OD1-OG 2.69Å
1287	T	27.5	Very low	30.2	Very low	116.8 Å²	116.8	126 Å²	126	72%	0.717	68%	0.682	S	S	*	*			trans	-163.2	93.6	146.2	-16.9	0	0	0	0	115.6	D1284 N1285 I1289 S1290	D1284-T1287 PolarHBondContact O-N 3.1Å; D1284-T1287 PolarHBondContact O-OG1 3.37Å; N1285-T1287 PolarHBondContact O-N 3.49Å; T1287-I1289 VanDerWaalsContact C-N 3.33Å; T1287-I1289 PolarHBondContact O-N 2.74Å; T1287-S1290 PolarHBondContact O-OG 3.04Å
1288	L	27.3	Very low	30.9	Very low	152.2 Å²	152.2	126.1 Å²	126.1	80%	0.797	67%	0.674	S	S	*	*			trans	-91.1	62.4	161.9	-71.2	170.3	0	0	0	116	S1290	L1288-S1290 VanDerWaalsContact C-N 3.25Å; L1288-S1290 PolarHBondContact O-N 3.48Å
1289	I	27.7	Very low	31.4	Very low	148 Å²	148	124.3 Å²	124.3	76%	0.759	67%	0.666	S	S	*	*			trans	-97.5	93.1	159.9	-60.9	174.1	0	0	0	112.1	T1287 N1291	T1287-I1289 VanDerWaalsContact C-N 3.33Å; T1287-I1289 PolarHBondContact O-N 2.74Å; I1289-N1291 PolarHBondContact O-N 3.02Å
1290	S	26.3	Very low	31.7	Very low	96.4 Å²	96.4	124.8 Å²	124.8	67%	0.674	67%	0.67	S	S	*	*			trans	-115	94.5	156	152.2	0	0	0	0	114.3	T1287 L1288	T1287-S1290 PolarHBondContact O-OG 3.04Å; L1288-S1290 VanDerWaalsContact C-N 3.25Å; L1288-S1290 PolarHBondContact O-N 3.48Å
1291	N	28.1	Very low	32	Very low	122.8 Å²	122.8	127 Å²	127	66%	0.657	67%	0.67	S	S	*	*			trans	167.4	95.6	152.5	-73.9	-25.5	0	0	0	114.3	K1204 Q1227 I1289 E1293	K1204-N1291 PolarHBondContact NZ-OD1 3.34Å; Q1227-N1291 VanDerWaalsContact CG-O 3.26Å; Q1227-N1291 WeakPolarHBondContact CG-O 3.3Å; Q1227-N1291 PolarHBondContact NE2-O 2.82Å; I1289-N1291 PolarHBondContact O-N 3.02Å; N1291-E1293 VanDerWaalsContact C-N 3.32Å; N1291-E1293 PolarHBondContact O-N 2.8Å
1292	F	31.3	Very low	32.3	Very low	121.4 Å²	121.4	126.6 Å²	126.6	53%	0.532	67%	0.669	S	S	.	*			trans	-43.4	134.6	152.8	-85.2	-101.7	0	0	0	111.9	A1197 E1200 K1204 F1224	A1197-F1292 HydrophobicContact CB-CZ 4.2Å; E1200-F1292 HydrophobicContact CB-CZ 4.4Å; E1200-F1292 VanDerWaalsContact OE2-CE2 3.22Å; E1200-F1292 WeakPolarHBondContact OE2-CE2 3.41Å; K1204-F1292 HydrophobicContact CD-CE2 4.25Å; F1224-F1292 AromaticContact CD2-CE1 3.9Å; F1224-F1292 HydrophobicContact CD2-CE1 3.9Å
1293	E	34.8	Very low	32.6	Very low	141.8 Å²	141.8	127.7 Å²	127.7	66%	0.663	67%	0.668	S	S	*	*				-108	147.9	122.1	-140.2	148.4	-166.3	0	0	109	K1123 N1258 N1291 I1295	K1123-E1293 IonicContact NZ-OE1 2.77Å; K1123-E1293 PolarHBondContact NZ-OE1 2.8Å; K1123-E1293 IonicContact NZ-OE2 2.89Å; K1123-E1293 PolarHBondContact NZ-OE2 3.05Å; N1258-E1293 PolarHBondContact ND2-OE1 3.17Å; N1258-E1293 PolarHBondContact ND2-OE2 3.08Å; N1291-E1293 VanDerWaalsContact C-N 3.32Å; N1291-E1293 PolarHBondContact O-N 2.8Å; E1293-I1295 PolarHBondContact O-N 3.48Å
1294	E	35.9	Very low	32.9	Very low	140.6 Å²	140.6	123.8 Å²	123.8	66%	0.657	66%	0.662	S	S	*	*			trans	-66.4	146.7	-172.6	-155.9	-172.6	-172.2	0	0	113.6	Q1296	E1294-Q1296 HydrophobicContact CB-CG 4.07Å; E1294-Q1296 VanDerWaalsContact CD-CG 3.45Å; E1294-Q1296 HydrophobicContact CG-CG 4.14Å; E1294-Q1296 PolarHBondContact O-N 3.18Å; E1294-Q1296 WeakPolarHBondContact OE1-CG 3.35Å; E1294-Q1296 PolarHBondContact OE1-NE2 3.02Å; E1294-Q1296 WeakPolarHBondContact OE2-CG 3.31Å; E1294-Q1296 PolarHBondContact OE2-N 2.87Å; E1294-Q1296 PolarHBondContact OE2-NE2 3.18Å
1295	I	40.9	Very low	33.3	Very low	100.4 Å²	100.4	125 Å²	125	52%	0.515	67%	0.669	S	S	.	*			trans	-121.9	111.4	154.6	-72.7	-170.7	0	0	0	108.5	K1204 Y1222 F1224 E1293	K1204-I1295 HydrophobicContact CB-CD1 3.98Å; K1204-I1295 HydrophobicContact CD-CD1 3.53Å; K1204-I1295 VanDerWaalsContact CD-CD1 3.46Å; K1204-I1295 HydrophobicContact CD-CG1 3.92Å; K1204-I1295 HydrophobicContact CG-CD1 4.34Å; Y1222-I1295 HydrophobicContact CD1-CG2 4.08Å; Y1222-I1295 HydrophobicContact CG-CG2 4.28Å; F1224-I1295 HydrophobicContact CB-CG1 4.21Å; E1293-I1295 PolarHBondContact O-N 3.48Å
1296	Q	40.9	Very low	33.8	Very low	134.2 Å²	134.2	127.2 Å²	127.2	63%	0.627	67%	0.674	S	S	*	*			trans	-65.7	159.9	171.3	-67.7	176.4	5.5	0	0	113.6	Y1222 I1223 E1294 L1298	Y1222-Q1296 WeakPolarHBondContact CA-O 3.48Å; I1223-Q1296 PolarHBondContact N-O 3.44Å; I1223-Q1296 VanDerWaalsContact N-O 3.14Å; E1294-Q1296 HydrophobicContact CB-CG 4.07Å; E1294-Q1296 VanDerWaalsContact CD-CG 3.45Å; E1294-Q1296 HydrophobicContact CG-CG 4.14Å; E1294-Q1296 PolarHBondContact O-N 3.18Å; E1294-Q1296 WeakPolarHBondContact OE1-CG 3.35Å; E1294-Q1296 PolarHBondContact OE1-NE2 3.02Å; E1294-Q1296 WeakPolarHBondContact OE2-CG 3.31Å; E1294-Q1296 PolarHBondContact OE2-N 2.87Å; E1294-Q1296 PolarHBondContact OE2-NE2 3.18Å; Q1296-L1298 PolarHBondContact O-N 2.69Å
1297	P	42.4	Very low	34.2	Very low	86.4 Å²	86.4	131.1 Å²	131.1	56%	0.561	68%	0.684	S	S	*	*			trans	-98	154	175	33.4	-26.1	0	0	0	112.2	Q1220 Y1222 D1299	Q1220-P1297 HydrophobicContact CG-CB 3.95Å; Y1222-P1297 HydrophobicContact CD1-CB 4.27Å; Y1222-P1297 HydrophobicContact CE1-CB 3.89Å; P1297-D1299 VanDerWaalsContact C-N 3.26Å; P1297-D1299 PolarHBondContact O-N 3.18Å
1298	L	40.8	Very low	34.5	Very low	119 Å²	119	133.1 Å²	133.1	62%	0.623	69%	0.685	S	S	*	*			trans	-121.8	93.7	163.6	-90.2	153.1	0	0	0	113.5	Q1220 D1221 I1223 Q1296 S1300 L1303	Q1220-L1298 PolarHBondContact NE2-O 2.83Å; D1221-L1298 HydrophobicContact CB-CB 4.38Å; D1221-L1298 PolarHBondContact O-N 3.05Å; I1223-L1298 HydrophobicContact CD1-CD1 3.88Å; I1223-L1298 HydrophobicContact CD1-CD2 4.41Å; I1223-L1298 HydrophobicContact CG1-CD1 4.39Å; Q1296-L1298 PolarHBondContact O-N 2.69Å; L1298-S1300 PolarHBondContact O-N 2.84Å; L1298-S1300 PolarHBondContact O-OG 3.34Å; L1298-L1303 HydrophobicContact CD2-CD2 4.41Å
1299	D	36.1	Very low	34.7	Very low	123 Å²	123	133.8 Å²	133.8	66%	0.658	68%	0.682	S	S	*	*			trans	-41	131.5	138	-111.1	-26.8	0	0	0	114.5	K1217 P1297 K1301 D1302	K1217-D1299 IonicContact NZ-OD1 2.73Å; K1217-D1299 PolarHBondContact NZ-OD1 3.2Å; K1217-D1299 IonicContact NZ-OD2 3.57Å; K1217-D1299 PolarHBondContact NZ-OD2 3.26Å; P1297-D1299 VanDerWaalsContact C-N 3.26Å; P1297-D1299 PolarHBondContact O-N 3.18Å; D1299-K1301 PolarHBondContact O-N 3.17Å; D1299-D1302 PolarHBondContact O-N 2.87Å
1300	S	32.7	Very low	34.9	Very low	103.2 Å²	103.2	131.4 Å²	131.4	72%	0.722	68%	0.678	S	S	*	*			trans	32.4	92.7	156.3	-22.6	0	0	0	0	116.7	L1298	L1298-S1300 PolarHBondContact O-N 2.84Å; L1298-S1300 PolarHBondContact O-OG 3.34Å
1301	K	33	Very low	35.1	Very low	160.4 Å²	160.4	134.5 Å²	134.5	70%	0.697	68%	0.682	S	S	*	*			trans	157.1	118.3	150.9	-103.2	179.9	179.2	178.2	0	115.1	D1299 L1303 D1304	D1299-K1301 PolarHBondContact O-N 3.17Å; K1301-L1303 HydrophobicContact CD-CD1 4.31Å; K1301-L1303 PolarHBondContact O-N 3.17Å; K1301-L1303 VanDerWaalsContact O-N 3.13Å; K1301-D1304 PolarHBondContact O-N 3.5Å
1302	D	35.5	Very low	35.1	Very low	133.4 Å²	133.4	135.9 Å²	135.9	71%	0.713	69%	0.69	S	S	*	*			trans	18.7	116.2	146.7	-59.3	-29.4	0	0	0	115	D1299	D1299-D1302 PolarHBondContact O-N 2.87Å
1303	L	34.5	Very low	35.1	Very low	129.6 Å²	129.6	135.5 Å²	135.5	68%	0.679	70%	0.702	S	S	*	*			trans	179.5	134.3	160.9	-82.2	166.3	0	0	0	113.1	L1298 K1301	L1298-L1303 HydrophobicContact CD2-CD2 4.41Å; K1301-L1303 HydrophobicContact CD-CD1 4.31Å; K1301-L1303 PolarHBondContact O-N 3.17Å; K1301-L1303 VanDerWaalsContact O-N 3.13Å
1304	D	34.3	Very low	34.9	Very low	130.4 Å²	130.4	139.6 Å²	139.6	70%	0.697	71%	0.711	S	S	*	*			trans	176.7	105.1	158.3	-55.9	-37.4	0	0	0	115	K1301 E1306 E1307 E1308	K1301-D1304 PolarHBondContact O-N 3.5Å; D1304-E1306 VanDerWaalsContact C-N 3.25Å; D1304-E1306 HydrophobicContact CB-CB 4.39Å; D1304-E1306 PolarHBondContact O-N 3.5Å; D1304-E1306 VanDerWaalsContact O-N 3.14Å; D1304-E1307 PolarHBondContact O-N 3.36Å; D1304-E1308 PolarHBondContact O-N 3.2Å
1305	D	35.7	Very low	34.9	Very low	155.6 Å²	155.6	138.2 Å²	138.2	83%	0.832	71%	0.714	S	S	*	*			trans	-122	117.1	156.5	-85.4	-44.7	0	0	0	109.6	E1307	D1305-E1307 VanDerWaalsContact C-N 3.26Å
1306	E	36.6	Very low	34.3	Very low	171.2 Å²	171.2	141.7 Å²	141.7	80%	0.8	73%	0.731	S	S	*	*			trans	-101.2	124.3	176.5	-82	-81.9	106.8	0	0	111.9	D1304 S1310	D1304-E1306 VanDerWaalsContact C-N 3.25Å; D1304-E1306 HydrophobicContact CB-CB 4.39Å; D1304-E1306 PolarHBondContact O-N 3.5Å; D1304-E1306 VanDerWaalsContact O-N 3.14Å; E1306-S1310 VanDerWaalsContact OE2-CB 3.32Å; E1306-S1310 WeakPolarHBondContact OE2-CB 3.42Å; E1306-S1310 PolarHBondContact OE2-OG 3.16Å
1307	E	36.5	Very low	33.8	Very low	166 Å²	166	140 Å²	140	78%	0.776	73%	0.734	S	S	*	*			trans	-117.7	142	169.3	-104.8	-165.6	155.5	0	0	110.6	D1304 D1305 F1309 S1310	D1304-E1307 PolarHBondContact O-N 3.36Å; D1305-E1307 VanDerWaalsContact C-N 3.26Å; E1307-F1309 VanDerWaalsContact CD-N 3.32Å; E1307-F1309 PolarHBondContact O-N 3.48Å; E1307-F1309 WeakPolarHBondContact OE1-CA 3.38Å; E1307-F1309 PolarHBondContact OE1-N 3.45Å; E1307-S1310 PolarHBondContact OE1-N 2.67Å
1308	E	32.3	Very low	33.3	Very low	159.4 Å²	159.4	141.2 Å²	141.2	75%	0.745	74%	0.742	S	S	*	*				-117.5	122.1	113.6	-166.6	-178.2	-161.4	0	0	113.1	D1304	D1304-E1308 PolarHBondContact O-N 3.2Å
1309	F	32.1	Very low	32.9	Very low	167.2 Å²	167.2	141.8 Å²	141.8	73%	0.733	75%	0.75	S	S	*	*			trans	-86.3	113.7	157.5	-78.4	-73.3	0	0	0	116.8	R1117 E1307	R1117-F1309 VanDerWaalsContact NH2-CD2 3.26Å; E1307-F1309 VanDerWaalsContact CD-N 3.32Å; E1307-F1309 PolarHBondContact O-N 3.48Å; E1307-F1309 WeakPolarHBondContact OE1-CA 3.38Å; E1307-F1309 PolarHBondContact OE1-N 3.45Å
1310	S	31.7	Very low	32.6	Very low	97.4 Å²	97.4	142.2 Å²	142.2	68%	0.681	75%	0.752	S	S	*	*			trans	-143.7	132.3	151.4	-61.3	0	0	0	0	114.5	E1306 E1307 N1312	E1306-S1310 VanDerWaalsContact OE2-CB 3.32Å; E1306-S1310 WeakPolarHBondContact OE2-CB 3.42Å; E1306-S1310 PolarHBondContact OE2-OG 3.16Å; E1307-S1310 PolarHBondContact OE1-N 2.67Å; S1310-N1312 PolarHBondContact O-N 3.27Å; S1310-N1312 VanDerWaalsContact O-N 3.12Å
1311	E	30.3	Very low	32.4	Very low	160.4 Å²	160.4	143.9 Å²	143.9	75%	0.75	75%	0.753	S	S	*	*			trans	-66.6	131.9	148.3	-74	-151.3	119.2	0	0	112.4	S1313 R1314	E1311-S1313 PolarHBondContact OE1-N 2.82Å; E1311-S1313 PolarHBondContact OE2-N 2.84Å; E1311-R1314 VanDerWaalsContact CD-N 3.33Å; E1311-R1314 PolarHBondContact OE1-N 3.42Å; E1311-R1314 VanDerWaalsContact OE1-N 3.16Å; E1311-R1314 PolarHBondContact OE2-N 2.9Å
1312	N	29.1	Very low	32.2	Very low	153.8 Å²	153.8	141.9 Å²	141.9	82%	0.822	75%	0.748	S	S	*	*			trans	160.2	101.6	144	-83.6	-40	0	0	0	114.3	S1310	S1310-N1312 PolarHBondContact O-N 3.27Å; S1310-N1312 VanDerWaalsContact O-N 3.12Å
1313	S	31	Very low	31.9	Very low	113 Å²	113	142.1 Å²	142.1	79%	0.79	75%	0.75	S	S	*	*			trans	-176.5	83.9	157.1	-71.3	0	0	0	0	113.3	E1311	E1311-S1313 PolarHBondContact OE1-N 2.82Å; E1311-S1313 PolarHBondContact OE2-N 2.84Å
1314	R	31.3	Very low	31.6	Very low	226.6 Å²	226.6	144 Å²	144	86%	0.855	76%	0.755	S	S	*	*			trans	-138.5	138.4	143	-97.5	-165.8	171.8	-157.1	-0.3	112.3	E1311 M1316	E1311-R1314 VanDerWaalsContact CD-N 3.33Å; E1311-R1314 PolarHBondContact OE1-N 3.42Å; E1311-R1314 VanDerWaalsContact OE1-N 3.16Å; E1311-R1314 PolarHBondContact OE2-N 2.9Å; R1314-M1316 PolarHBondContact O-N 3.19Å; R1314-M1316 VanDerWaalsContact O-N 3.15Å
1315	P	34	Very low	31.4	Very low	111.8 Å²	111.8	142.9 Å²	142.9	73%	0.726	76%	0.755	S	S	*	*			trans	-106.7	157.3	-149.7	35.5	-26.9	0	0	0	111.5
1316	M	29.7	Very low	31.1	Very low	173.4 Å²	173.4	142.4 Å²	142.4	85%	0.854	75%	0.751	S	S	*	*			trans	-104.8	143.9	166.1	-76.5	-89.6	-75.3	0	0	111.2	R1314	R1314-M1316 PolarHBondContact O-N 3.19Å; R1314-M1316 VanDerWaalsContact O-N 3.15Å
1317	S	29	Very low	30.7	Very low	99.8 Å²	99.8	140.3 Å²	140.3	70%	0.698	75%	0.745	S	S	*	*			trans	-110.3	155.5	166.5	-74.2	0	0	0	0	109.3
1318	P	33.8	Very low	30.3	Very low	111.6 Å²	111.6	142.5 Å²	142.5	73%	0.725	75%	0.748	S	S	*	*			trans	-92.8	147.3	-162.5	16.3	-6.3	0	0	0	113
1319	V	31	Very low	30	Very low	131 Å²	131	140.7 Å²	140.7	79%	0.794	74%	0.743	S	S	*	*			trans	-134.2	119.2	158	168.2	0	0	0	0	109.9
1320	D	30.2	Very low	29.9	Very low	131 Å²	131	142 Å²	142	70%	0.701	75%	0.748	S	S	*	*			trans	-78.3	144	162.1	-79.8	-47	0	0	0	113.1
1321	N	27.9	Very low	29.5	Very low	138.2 Å²	138.2	145.6 Å²	145.6	74%	0.739	75%	0.754	S	S	*	*			trans	-153.7	150.3	160.9	-148.4	-10.4	0	0	0	113.6
1322	I	28.4	Very low	29.6	Very low	118.4 Å²	118.4	143.2 Å²	143.2	61%	0.607	75%	0.752	S	S	*	*			trans	52.7	119.9	161.6	-45.4	170.8	0	0	0	116.5
1323	N	29.3	Very low	29.5	Very low	137.8 Å²	137.8	142.3 Å²	142.3	74%	0.737	75%	0.753	S	S	*	*				148.6	114.2	129	-83.9	-56.7	0	0	0	116.3
1324	Q	28.4	Very low	29.1	Very low	169.6 Å²	169.6	141.2 Å²	141.2	79%	0.793	75%	0.75	S	S	*	*			trans	71.8	154.8	134.4	-79.8	-169.6	40	0	0	117.7
1325	P	31.7	Very low	28.9	Very low	107.2 Å²	107.2	135.7 Å²	135.7	70%	0.696	75%	0.746	S	S	*	*				-133.2	171.3	103.7	36.7	-19.6	0	0	0	115.7
1326	I	29.1	Very low	28.4	Very low	146.6 Å²	146.6	137.6 Å²	137.6	75%	0.752	75%	0.751	S	S	*	*			trans	152.5	135.8	142.1	-92.4	159.3	0	0	0	116.5
1327	N	26.7	Very low	28.4	Very low	125.2 Å²	125.2	135.2 Å²	135.2	67%	0.67	75%	0.745	S	S	*	*			trans	20.8	127.1	164.2	-65.3	-26.4	0	0	0	118.9
1328	Y	29.4	Very low	28.2	Very low	212.2 Å²	212.2	138.8 Å²	138.8	83%	0.832	75%	0.751	S	S	*	*				155.4	124.3	108.4	-70.2	-58.6	0	0	0	111.9
1329	L	26.7	Very low	28.1	Very low	122.2 Å²	122.2	138.6 Å²	138.6	64%	0.64	75%	0.75	S	S	*	*			cis	118.2	117.3	46.7	-167.8	82.2	0	0	0	113.7	Q1331	L1329-Q1331 HydrophobicContact CD1-CB 4.27Å; L1329-Q1331 HydrophobicContact CD1-CG 3.71Å
1330	F	28.3	Very low	27.9	Very low	194.8 Å²	194.8	139.8 Å²	139.8	85%	0.854	75%	0.75	S	S	*	*			trans	160.9	139.6	141.4	-87.1	-62.4	0	0	0	115.8
1331	Q	25.1	Very low	27.7	Very low	172.4 Å²	172.4	138.5 Å²	138.5	81%	0.806	75%	0.751	S	S	*	*			trans	-130	168	171.1	-113.4	-173.9	-9.1	0	0	111.2	L1329	L1329-Q1331 HydrophobicContact CD1-CB 4.27Å; L1329-Q1331 HydrophobicContact CD1-CG 3.71Å
1332	P	31.4	Very low	27.7	Very low	109.6 Å²	109.6	139.3 Å²	139.3	71%	0.712	76%	0.755	S	S	*	*				-123.4	179.9	-127.6	38.7	-27.6	0	0	0	115.3
1333	V	26	Very low	27.8	Very low	136 Å²	136	138.7 Å²	138.7	82%	0.824	76%	0.759	S	S	*	*			trans	127.1	116	153.4	-178.8	0	0	0	0	114.2
1334	A	24.4	Very low	27.7	Very low	89.6 Å²	89.6	139.6 Å²	139.6	74%	0.74	76%	0.762	S	S	*	*				39.2	150.3	126.3	0	0	0	0	0	117
1335	S	26.5	Very low	27.6	Very low	110.8 Å²	110.8	136.2 Å²	136.2	78%	0.775	76%	0.757	S	S	*	*				-178.7	141.2	127.4	18.6	0	0	0	0	114.6
1336	N	24.3	Very low	27.4	Very low	153 Å²	153	138.2 Å²	138.2	82%	0.818	76%	0.762	S	S	*	*			trans	0.6	145.3	157.6	-65.5	-14	0	0	0	118.9
1337	V	28.5	Very low	27.3	Very low	121.6 Å²	121.6	138.3 Å²	138.3	74%	0.737	76%	0.763	S	S	*	*				137.4	118.2	121.9	162	0	0	0	0	114.8
1338	E	26	Very low	27.2	Very low	176 Å²	176	138.7 Å²	138.7	82%	0.822	76%	0.763	S	S	*	*			trans	7.9	165	133.9	-93.6	-167	112.9	0	0	118.1
1339	P	30.6	Very low	27.1	Very low	107 Å²	107	133.8 Å²	133.8	70%	0.695	76%	0.758	S	S	*	*			trans	-116.7	168.9	-154.4	34.9	-21.2	0	0	0	115.2
1340	I	26.9	Very low	27.1	Very low	157.6 Å²	157.6	135.9 Å²	135.9	81%	0.808	76%	0.764	S	S	*	*			trans	-152.5	118.5	163.4	-45.9	179.6	0	0	0	114.4
1341	S	27.2	Very low	26.9	Very low	101.8 Å²	101.8	131.7 Å²	131.7	71%	0.712	76%	0.758	S	S	*	*			trans	-126.6	123.5	151	18.4	0	0	0	0	116.8
1342	N	26.3	Very low	26.9	Very low	155.4 Å²	155.4	131.3 Å²	131.3	83%	0.831	76%	0.758	S	S	*	*			trans	79.8	157.3	144.9	-87.6	-9.5	0	0	0	117.2	I1344	N1342-I1344 PolarHBondContact O-N 2.87Å
1343	P	31.9	Very low	26.5	Very low	107 Å²	107	132.9 Å²	132.9	70%	0.695	76%	0.758	S	S	*	*				-124.3	174.6	-75.6	37.5	-24.2	0	0	0	113.7
1344	I	26.8	Very low	26.4	Very low	155.8 Å²	155.8	135.3 Å²	135.3	80%	0.799	75%	0.753	S	S	*	*			trans	123.5	119	151.8	-66.3	166.1	0	0	0	114.8	N1342	N1342-I1344 PolarHBondContact O-N 2.87Å
1345	S	26.7	Very low	26.5	Very low	97.4 Å²	97.4	140.6 Å²	140.6	68%	0.681	76%	0.756	S	S	*	*			trans	169.5	132.4	150.2	56.8	0	0	0	0	114.7
1346	N	27.2	Very low	26.4	Very low	149.4 Å²	149.4	141.2 Å²	141.2	80%	0.799	75%	0.754	S	S	*	*				-7.1	120.6	75.9	-82.8	-19.3	0	0	0	114.1
1347	I	27	Very low	26.4	Very low	149.2 Å²	149.2	137.6 Å²	137.6	77%	0.765	75%	0.746	S	S	*	*			trans	-124.2	126.2	144.7	-70.3	162.4	0	0	0	108.5	P1349	I1347-P1349 WeakPolarHBondContact O-CD 3.29Å
1348	I	24.9	Very low	26.3	Very low	133.6 Å²	133.6	137.2 Å²	137.2	69%	0.685	75%	0.748	S	S	*	*			trans	-73.8	117	149.5	-58	168.2	0	0	0	110.1	Q1350	I1348-Q1350 HydrophobicContact CG2-CB 3.86Å; I1348-Q1350 VanDerWaalsContact CG2-CD 3.43Å; I1348-Q1350 HydrophobicContact CG2-CG 4.07Å; I1348-Q1350 PolarHBondContact O-N 2.82Å
1349	P	27.4	Very low	26.2	Very low	110.4 Å²	110.4	134.2 Å²	134.2	72%	0.717	75%	0.747	S	S	*	*			trans	-90	142.1	141.9	25.7	-17.4	0	0	0	111	I1347	I1347-P1349 WeakPolarHBondContact O-CD 3.29Å
1350	Q	26.3	Very low	26	Very low	164.6 Å²	164.6	133.4 Å²	133.4	77%	0.769	75%	0.75	S	S	*	*			trans	-107.3	149.5	170.9	-60.2	167.1	-17.6	0	0	112.3	I1348 M1352	I1348-Q1350 HydrophobicContact CG2-CB 3.86Å; I1348-Q1350 VanDerWaalsContact CG2-CD 3.43Å; I1348-Q1350 HydrophobicContact CG2-CG 4.07Å; I1348-Q1350 PolarHBondContact O-N 2.82Å; Q1350-M1352 PolarHBondContact O-N 2.82Å
1351	C	24.3	Very low	26	Very low	108.2 Å²	108.2	132.8 Å²	132.8	73%	0.731	75%	0.753	S	S	*	*			trans	-163	127.2	144.1	-87.6	0	0	0	0	112.6	M1353	C1351-M1353 PolarHBondContact O-N 3.02Å
1352	M	24.8	Very low	26	Very low	163.8 Å²	163.8	130.6 Å²	130.6	81%	0.807	75%	0.746	S	S	*	*				-35.4	120.7	123.6	-81.5	-64.7	-156.2	0	0	113.4	Q1350 Y1354	Q1350-M1352 PolarHBondContact O-N 2.82Å; M1352-Y1354 HydrophobicContact CB-CD2 4.42Å; M1352-Y1354 HydrophobicContact CB-CE2 4.37Å; M1352-Y1354 PolarHBondContact O-N 3.3Å; M1352-Y1354 HydrophobicContact SD-CD2 4.28Å; M1352-Y1354 HydrophobicContact SD-CE2 4.33Å
1353	M	23	Very low	26	Very low	142.6 Å²	142.6	130 Å²	130	70%	0.702	74%	0.742	S	S	*	*			trans	-56.5	118.1	160	-83.5	-69.5	-160.1	0	0	112.9	C1351 Y1355	C1351-M1353 PolarHBondContact O-N 3.02Å; M1353-Y1355 VanDerWaalsContact C-N 3.25Å; M1353-Y1355 HydrophobicContact CB-CD2 4.2Å; M1353-Y1355 HydrophobicContact CB-CE2 4.3Å; M1353-Y1355 PolarHBondContact O-N 3.19Å; M1353-Y1355 VanDerWaalsContact O-N 3.1Å
1354	Y	24.6	Very low	25.9	Very low	185.8 Å²	185.8	130.3 Å²	130.3	73%	0.729	74%	0.744	S	S	*	*			trans	-104.7	115.5	156.6	-89.1	-88.3	0	0	0	112.1	M1352 V1356	M1352-Y1354 HydrophobicContact CB-CD2 4.42Å; M1352-Y1354 HydrophobicContact CB-CE2 4.37Å; M1352-Y1354 PolarHBondContact O-N 3.3Å; M1352-Y1354 HydrophobicContact SD-CD2 4.28Å; M1352-Y1354 HydrophobicContact SD-CE2 4.33Å; Y1354-V1356 HydrophobicContact CD1-CG2 3.58Å; Y1354-V1356 HydrophobicContact CE1-CG2 4.28Å; Y1354-V1356 HydrophobicContact CG-CG2 4.28Å; Y1354-V1356 PolarHBondContact O-N 3.26Å
1355	Y	24.5	Very low	25.9	Very low	201.2 Å²	201.2	128.5 Å²	128.5	79%	0.789	74%	0.741	S	S	*	*			trans	-25	101.2	159.8	-90.9	-92.2	0	0	0	115.7	M1353 A1357	M1353-Y1355 VanDerWaalsContact C-N 3.25Å; M1353-Y1355 HydrophobicContact CB-CD2 4.2Å; M1353-Y1355 HydrophobicContact CB-CE2 4.3Å; M1353-Y1355 PolarHBondContact O-N 3.19Å; M1353-Y1355 VanDerWaalsContact O-N 3.1Å; Y1355-A1357 HydrophobicContact CD1-CB 4.22Å; Y1355-A1357 PolarHBondContact O-N 2.79Å
1356	V	24.6	Very low	26	Very low	123.6 Å²	123.6	129.1 Å²	129.1	75%	0.749	74%	0.744	S	S	*	*			trans	-124.5	106.6	137.8	-178.5	0	0	0	0	109.6	Y1354 S1358	Y1354-V1356 HydrophobicContact CD1-CG2 3.58Å; Y1354-V1356 HydrophobicContact CE1-CG2 4.28Å; Y1354-V1356 HydrophobicContact CG-CG2 4.28Å; Y1354-V1356 PolarHBondContact O-N 3.26Å; V1356-S1358 VanDerWaalsContact C-N 3.35Å; V1356-S1358 PolarHBondContact O-N 2.91Å
1357	A	25.2	Very low	25.9	Very low	77 Å²	77	129.2 Å²	129.2	64%	0.636	75%	0.745	S	S	*	*			trans	63.8	116.7	142.2	0	0	0	0	0	112.6	Y1355 S1359	Y1355-A1357 HydrophobicContact CD1-CB 4.22Å; Y1355-A1357 PolarHBondContact O-N 2.79Å; A1357-S1359 PolarHBondContact O-N 2.98Å
1358	S	25.7	Very low	25.8	Very low	113 Å²	113	126.8 Å²	126.8	79%	0.79	74%	0.741	S	S	*	*				-99.7	139.2	128.1	-62.4	0	0	0	0	112.6	V1356 A1360	V1356-S1358 VanDerWaalsContact C-N 3.35Å; V1356-S1358 PolarHBondContact O-N 2.91Å; S1358-A1360 PolarHBondContact O-N 3.16Å
1359	S	25.5	Very low	25.9	Very low	114.4 Å²	114.4	127.6 Å²	127.6	80%	0.8	75%	0.746	S	S	*	*			trans	-118.2	132.2	135.1	176	0	0	0	0	113.9	A1357	A1357-S1359 PolarHBondContact O-N 2.98Å
1360	A	26	Very low	25.8	Very low	90.2 Å²	90.2	128.2 Å²	128.2	75%	0.745	75%	0.747	S	S	*	*			trans	168.9	133.7	154.7	0	0	0	0	0	115	S1358 G1362	S1358-A1360 PolarHBondContact O-N 3.16Å; A1360-G1362 PolarHBondContact O-N 2.81Å
1361	V	27.1	Very low	25.8	Very low	143.8 Å²	143.8	125 Å²	125	87%	0.872	74%	0.743	S	S	*	*			trans	-53.7	105.6	146	-173.8	0	0	0	0	111.7	L1363 L1488	V1361-L1363 HydrophobicContact CG1-CD1 4.34Å; V1361-L1363 PolarHBondContact O-N 3.17Å; V1361-L1488 WeakPolarHBondContact O-CD2 3.42Å
1362	G	25.8	Very low	25.9	Very low	55.2 Å²	55.2	126.6 Å²	126.6	57%	0.569	74%	0.744	S	S	*	*			trans	-121.4	138	154.1	0	0	0	0	0	112.9	A1360 P1364 R1489	A1360-G1362 PolarHBondContact O-N 2.81Å; G1362-P1364 WeakPolarHBondContact O-CD 3.5Å; G1362-R1489 WeakPolarHBondContact O-CB 3.34Å; G1362-R1489 WeakPolarHBondContact O-CD 3.44Å
1363	L	27.3	Very low	26.1	Very low	143 Å²	143	123.7 Å²	123.7	75%	0.749	74%	0.74	S	S	*	*			trans	-103	152.7	165.2	-92.2	65.1	0	0	0	109.7	V1361 T1365 N1490 M1491	V1361-L1363 HydrophobicContact CG1-CD1 4.34Å; V1361-L1363 PolarHBondContact O-N 3.17Å; L1363-T1365 HydrophobicContact CB-CG2 4.48Å; L1363-T1365 HydrophobicContact CD2-CG2 3.71Å; L1363-N1490 HydrophobicContact CB-CB 3.91Å; L1363-N1490 HydrophobicContact CD1-CB 3.71Å; L1363-N1490 WeakPolarHBondContact CD1-ND2 3.27Å; L1363-N1490 HydrophobicContact CD2-CB 4.09Å; L1363-N1490 HydrophobicContact CG-CB 4.08Å; L1363-M1491 HydrophobicContact CD2-CB 4.37Å; L1363-M1491 HydrophobicContact CD2-CE 3.6Å
1364	P	29.2	Very low	26.2	Very low	113.2 Å²	113.2	127 Å²	127	74%	0.735	74%	0.744	S	S	*	*			trans	-100	149.7	-179.5	32.1	-23.7	0	0	0	112.9	G1362 S1366 R1489	G1362-P1364 WeakPolarHBondContact O-CD 3.5Å; P1364-S1366 PolarHBondContact O-N 2.92Å; P1364-R1489 CarbonylContact C-O 3.55Å; P1364-R1489 VanDerWaalsContact CA-O 3.3Å; P1364-R1489 WeakPolarHBondContact CA-O 3.4Å
1365	T	26.9	Very low	26.5	Very low	119.4 Å²	119.4	124.8 Å²	124.8	73%	0.733	74%	0.744	S	S	*	*			trans	-60.7	139.1	167.1	49	0	0	0	0	114.6	L1363	L1363-T1365 HydrophobicContact CB-CG2 4.48Å; L1363-T1365 HydrophobicContact CD2-CG2 3.71Å
1366	S	27.8	Very low	26.6	Very low	108.8 Å²	108.8	124.3 Å²	124.3	76%	0.761	75%	0.746	S	S	*	*			trans	178.2	134.1	149.3	-55.7	0	0	0	0	113.3	P1364	P1364-S1366 PolarHBondContact O-N 2.92Å
1367	D	25.3	Very low	26.8	Very low	152.8 Å²	152.8	121.6 Å²	121.6	82%	0.817	74%	0.743	S	S	*	*			trans	10.9	146.6	140.9	-58.5	-66.8	0	0	0	119.3
1368	S	26.5	Very low	26.9	Very low	97.8 Å²	97.8	124.8 Å²	124.8	68%	0.684	75%	0.75	S	S	*	*			trans	119	122.5	141.4	-152.3	0	0	0	0	116.8
1369	I	25.5	Very low	27	Very low	151.4 Å²	151.4	126.5 Å²	126.5	78%	0.776	75%	0.749	S	S	*	*				62.5	120.9	109.3	-57.6	166.5	0	0	0	116.3
1370	V	26.4	Very low	27.1	Very low	123 Å²	123	124.5 Å²	124.5	75%	0.745	75%	0.746	S	S	*	*				85.2	124.3	123	-179.5	0	0	0	0	119.1
1371	S	25.7	Very low	27.3	Very low	97 Å²	97	127.9 Å²	127.9	68%	0.678	75%	0.747	S	S	*	*			trans	86.1	135.5	144.6	-48.4	0	0	0	0	120.7
1372	N	25.7	Very low	27.3	Very low	141.6 Å²	141.6	127.9 Å²	127.9	76%	0.757	74%	0.74	S	S	*	*				80	148.6	104	-77.4	-29.2	0	0	0	119.3	Q1481	N1372-Q1481 WeakPolarHBondContact CB-O 3.31Å; N1372-Q1481 PolarHBondContact ND2-O 2.84Å; N1372-Q1481 PolarHBondContact OD1-O 2.72Å
1373	S	28.9	Very low	27.6	Very low	103.4 Å²	103.4	130.3 Å²	130.3	72%	0.723	75%	0.746	S	S	*	*				118.8	129.8	128.2	62.2	0	0	0	0	117.3	S1482 Y1483	S1373-S1482 CarbonylContact C-O 3.39Å; S1373-S1482 WeakPolarHBondContact CA-O 3.45Å; S1373-S1482 PolarHBondContact N-O 3.42Å; S1373-Y1483 WeakPolarHBondContact O-CD2 3.44Å
1374	R	26	Very low	27.5	Very low	210.8 Å²	210.8	131.3 Å²	131.3	80%	0.795	75%	0.747	S	S	*	*			trans	-67.6	153.6	132.3	-90.7	-176.9	-154.4	-165.7	2.6	113.2	Q1481 S1482 Y1483	R1374-Q1481 HydrophobicContact CB-CB 4.26Å; R1374-Q1481 HydrophobicContact CB-CG 3.62Å; R1374-Q1481 HydrophobicContact CG-CB 3.9Å; R1374-Q1481 HydrophobicContact CG-CG 3.71Å; R1374-Q1481 VanDerWaalsContact N-CB 3.35Å; R1374-Q1481 VanDerWaalsContact N-CG 3.27Å; R1374-Q1481 PolarHBondContact O-NE2 3.13Å; R1374-S1482 PolarHBondContact N-O 3.39Å; R1374-S1482 VanDerWaalsContact NE-CB 3.25Å; R1374-S1482 PolarHBondContact NE-OG 3.06Å; R1374-S1482 PolarHBondContact NH2-OG 3Å; R1374-Y1483 HydrophobicContact CB-CD2 4.48Å; R1374-Y1483 HydrophobicContact CB-CE2 4.18Å
1375	I	30.1	Very low	27.5	Very low	139.4 Å²	139.4	132.2 Å²	132.2	72%	0.715	75%	0.745	S	S	*	*			trans	161.2	130.9	143	-54.9	170.7	0	0	0	112.1	Y1480 Q1481 Y1483	I1375-Y1480 HydrophobicContact CD1-CD1 4.45Å; I1375-Y1480 HydrophobicContact CD1-CD2 3.96Å; I1375-Y1480 HydrophobicContact CD1-CE1 4.34Å; I1375-Y1480 HydrophobicContact CD1-CE2 3.85Å; I1375-Y1480 HydrophobicContact CD1-CG 4.31Å; I1375-Y1480 HydrophobicContact CG2-CD1 4.04Å; I1375-Y1480 HydrophobicContact CG2-CE1 3.42Å; I1375-Y1480 VanDerWaalsContact CG2-CE1 3.42Å; I1375-Q1481 HydrophobicContact CD1-CG 4.36Å; I1375-Q1481 HydrophobicContact CG1-CG 3.93Å; I1375-Y1483 PolarHBondContact O-OH 3.21Å
1376	K	28.3	Very low	27.5	Very low	190.6 Å²	190.6	132.5 Å²	132.5	83%	0.829	75%	0.746	S	S	*	*				63	129.9	91.7	-134.7	-174	173.5	-169.4	0	114.8
1377	G	27.8	Very low	27.6	Very low	67.2 Å²	67.2	133.2 Å²	133.2	69%	0.693	75%	0.749	S	S	*	*			trans	128.3	177.2	149.2	0	0	0	0	0	115.1
1378	D	28.1	Very low	27.7	Very low	144.6 Å²	144.6	130.4 Å²	130.4	77%	0.773	75%	0.746	S	S	*	*			cis	-178.3	160.1	-17.8	-126.5	-19.4	0	0	0	113.5
1379	L	26.9	Very low	27.7	Very low	149.6 Å²	149.6	130.8 Å²	130.8	78%	0.783	75%	0.749	S	S	*	*			trans	40.5	135.6	152.6	-106.2	78.5	0	0	0	118.9
1380	G	28.8	Very low	27.7	Very low	71.2 Å²	71.2	130.2 Å²	130.2	73%	0.734	75%	0.748	S	S	*	*			trans	156.1	76.8	164	0	0	0	0	0	118.3
1381	Q	28.5	Very low	27.7	Very low	163 Å²	163	131.3 Å²	131.3	76%	0.762	75%	0.748	S	S	*	*				64.6	126	101.3	-76.2	-174	29.8	0	0	118.1
1382	I	28.1	Very low	27.8	Very low	143.8 Å²	143.8	131.3 Å²	131.3	74%	0.737	75%	0.748	S	S	*	*				85.2	143.4	119.4	-72.4	167	0	0	0	116.9
1383	P	31.3	Very low	27.8	Very low	105.4 Å²	105.4	131.6 Å²	131.6	68%	0.684	75%	0.75	S	S	*	*				-121.5	175.2	-56	34.9	-17.8	0	0	0	114.9
1384	E	25.9	Very low	27.7	Very low	163.8 Å²	163.8	131.3 Å²	131.3	77%	0.765	75%	0.747	S	S	*	*			trans	58.7	141.5	135.3	-79.1	-177.5	115.7	0	0	118.9
1385	N	28.1	Very low	27.7	Very low	131.4 Å²	131.4	127.6 Å²	127.6	70%	0.703	74%	0.743	S	S	*	*				173.8	142	119.7	-79.8	-53.9	0	0	0	115.4
1386	V	27.5	Very low	27.6	Very low	125.2 Å²	125.2	129.5 Å²	129.5	76%	0.759	75%	0.747	S	S	*	*				106.2	131.4	85.4	170.8	0	0	0	0	112.2	A1388	V1386-A1388 HydrophobicContact CG1-CB 4.34Å
1387	P	31.1	Very low	27.4	Very low	124 Å²	124	126.2 Å²	126.2	81%	0.805	74%	0.742	S	S	*	*			cis	-121.9	-179.5	41.7	30.2	-12.9	0	0	0	114.6
1388	A	26.2	Very low	27.3	Very low	93.2 Å²	93.2	128.9 Å²	128.9	77%	0.77	75%	0.746	S	S	*	*			trans	-121.4	149.5	161.4	0	0	0	0	0	115.5	V1386	V1386-A1388 HydrophobicContact CG1-CB 4.34Å
1389	S	27.1	Very low	27.2	Very low	106.6 Å²	106.6	129.7 Å²	129.7	75%	0.745	75%	0.745	S	S	*	*			trans	-161.1	137	150	-79.9	0	0	0	0	112.2
1390	D	25.8	Very low	27	Very low	139 Å²	139	128 Å²	128	74%	0.743	75%	0.745	S	S	*	*				133.5	140.4	115	-86.5	-35.8	0	0	0	119.1
1391	I	26.9	Very low	26.9	Very low	147.2 Å²	147.2	130.6 Å²	130.6	76%	0.755	74%	0.742	S	S	*	*			trans	66.7	108.6	147	-59.6	159.9	0	0	0	118.4
1392	S	26.5	Very low	26.8	Very low	96.8 Å²	96.8	129.7 Å²	129.7	68%	0.677	74%	0.741	S	S	*	*				91	140.8	116.9	63.4	0	0	0	0	118.1
1393	N	26.7	Very low	26.7	Very low	147.4 Å²	147.4	128.4 Å²	128.4	79%	0.788	74%	0.742	S	S	*	*				93.4	133.8	108	-90.1	-22.5	0	0	0	117.3	N1395	N1393-N1395 PolarHBondContact O-N 3.41Å
1394	S	26.5	Very low	26.5	Very low	96.2 Å²	96.2	130.3 Å²	130.3	67%	0.673	74%	0.744	S	S	*	*				151.8	118.7	117	56.7	0	0	0	0	114.4
1395	N	26.2	Very low	26.7	Very low	134 Å²	134	127.6 Å²	127.6	72%	0.717	73%	0.734	S	S	*	*			trans	92.9	105.1	145.4	-73.2	-29.9	0	0	0	116.2	N1393 V1397	N1393-N1395 PolarHBondContact O-N 3.41Å; N1395-V1397 PolarHBondContact O-N 3.08Å
1396	F	26.5	Very low	26.9	Very low	178.6 Å²	178.6	127.4 Å²	127.4	78%	0.783	73%	0.732	S	S	*	*			trans	-94.3	118.1	132	-84.9	-89.6	0	0	0	114.1	S1259 T1260 N1261 T1398	S1259-F1396 WeakPolarHBondContact O-CE1 3.37Å; T1260-F1396 HydrophobicContact CG2-CG 4.42Å; T1260-F1396 WeakPolarHBondContact O-CZ 3.5Å; T1260-F1396 WeakPolarHBondContact OG1-CA 3.35Å; N1261-F1396 HydrophobicContact CB-CD2 4.08Å; N1261-F1396 HydrophobicContact CB-CE2 3.6Å; N1261-F1396 HydrophobicContact CB-CZ 4.24Å; F1396-T1398 PolarHBondContact O-N 2.88Å
1397	V	24.7	Very low	27	Very low	121 Å²	121	126.7 Å²	126.7	73%	0.733	73%	0.725	S	S	*	*			trans	-77.3	119.5	169	178.9	0	0	0	0	110.4	N1395 Q1399	N1395-V1397 PolarHBondContact O-N 3.08Å; V1397-Q1399 VanDerWaalsContact C-N 3.27Å; V1397-Q1399 PolarHBondContact O-N 3.29Å
1398	T	26.6	Very low	27	Very low	125.8 Å²	125.8	128.4 Å²	128.4	77%	0.772	72%	0.716	S	S	*	*			trans	-125.9	114.6	145	42.1	0	0	0	0	112.7	F1396 S1400	F1396-T1398 PolarHBondContact O-N 2.88Å; T1398-S1400 PolarHBondContact O-N 3.25Å
1399	Q	24.7	Very low	27.4	Very low	161.4 Å²	161.4	127.6 Å²	127.6	75%	0.754	70%	0.698	S	S	*	*			trans	-36.4	123.8	163.2	-67.4	177.7	-4.5	0	0	113.7	V1397 L1401	V1397-Q1399 VanDerWaalsContact C-N 3.27Å; V1397-Q1399 PolarHBondContact O-N 3.29Å; Q1399-L1401 PolarHBondContact O-N 3.04Å
1400	S	24.1	Very low	27.6	Very low	112.2 Å²	112.2	129.6 Å²	129.6	79%	0.785	69%	0.693	S	S	*	*			trans	-111.3	98.4	146.5	-79.4	0	0	0	0	110.1	T1398 L1402	T1398-S1400 PolarHBondContact O-N 3.25Å; S1400-L1402 PolarHBondContact O-N 2.99Å
1401	L	26	Very low	27.9	Very low	126.2 Å²	126.2	128.4 Å²	128.4	66%	0.661	69%	0.687	S	S	*	*			trans	-57.1	119.2	158.5	-70.5	161.1	0	0	0	110.1	Q1399 P1403 F1622 N1987	Q1399-L1401 PolarHBondContact O-N 3.04Å; L1401-P1403 WeakPolarHBondContact O-CD 3.46Å; L1401-F1622 HydrophobicContact CD1-CE2 3.97Å; L1401-F1622 HydrophobicContact CD2-CE2 3.82Å; L1401-F1622 HydrophobicContact CD2-CZ 4.35Å; L1401-N1987 WeakPolarHBondContact CD1-ND2 3.5Å
1402	L	26.1	Very low	28.3	Very low	145 Å²	145	126.4 Å²	126.4	76%	0.759	68%	0.677	S	S	*	*			trans	-36.8	136.5	142.4	-73.7	167.1	0	0	0	111.8	S1400 M1404	S1400-L1402 PolarHBondContact O-N 2.99Å; L1402-M1404 PolarHBondContact O-N 2.91Å; L1402-M1404 VanDerWaalsContact O-N 3.12Å
1403	P	26.6	Very low	28.5	Very low	115 Å²	115	127.1 Å²	127.1	75%	0.747	67%	0.672	S	S	*	*			trans	-82.1	114.2	-177.2	34	-34.7	0	0	0	111.9	L1401 N1405	L1401-P1403 WeakPolarHBondContact O-CD 3.46Å; P1403-N1405 PolarHBondContact O-N 3.2Å
1404	M	27.6	Very low	28.6	Very low	147.2 Å²	147.2	124.3 Å²	124.3	73%	0.725	66%	0.664	S	S	*	*			trans	-94.1	119.9	173.1	-70.1	-147.8	-71.5	0	0	110.6	L1402 L1406 Y1408 I1409	L1402-M1404 PolarHBondContact O-N 2.91Å; L1402-M1404 VanDerWaalsContact O-N 3.12Å; M1404-L1406 PolarHBondContact O-N 3.33Å; M1404-L1406 VanDerWaalsContact O-N 3.16Å; M1404-Y1408 HydrophobicContact CE-CD1 4.05Å; M1404-Y1408 HydrophobicContact SD-CD1 4.31Å; M1404-I1409 HydrophobicContact CE-CG1 3.94Å
1405	N	29.4	Very low	28.6	Very low	105.4 Å²	105.4	126.5 Å²	126.5	56%	0.564	67%	0.668	S	S	*	*			trans	-70.3	108.7	162.9	-172.2	-15	0	0	0	112	P1403 N1407 Y1408	P1403-N1405 PolarHBondContact O-N 3.2Å; N1405-N1407 PolarHBondContact O-N 2.99Å; N1405-N1407 VanDerWaalsContact O-N 3.11Å; N1405-N1407 WeakPolarHBondContact OD1-CB 3.34Å; N1405-N1407 PolarHBondContact OD1-N 3.2Å; N1405-N1407 VanDerWaalsContact OD1-N 3.12Å; N1405-N1407 PolarHBondContact OD1-ND2 2.83Å; N1405-Y1408 HydrophobicContact CB-CD2 4.01Å; N1405-Y1408 HydrophobicContact CB-CE2 4.25Å; N1405-Y1408 WeakPolarHBondContact O-CB 3.45Å; N1405-Y1408 PolarHBondContact O-N 2.98Å
1406	L	31.4	Very low	28.7	Very low	127.2 Å²	127.2	125.7 Å²	125.7	67%	0.666	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-64	-4.1	179.2	-85.3	134.5	0	0	0	114.1	I1037 M1404 Y1408 I1409 K1410	I1037-L1406 HydrophobicContact CG2-CD2 4.16Å; M1404-L1406 PolarHBondContact O-N 3.33Å; M1404-L1406 VanDerWaalsContact O-N 3.16Å; L1406-Y1408 VanDerWaalsContact C-N 3.29Å; L1406-Y1408 PolarHBondContact O-N 2.78Å; L1406-Y1408 VanDerWaalsContact O-N 3.14Å; L1406-I1409 HydrophobicContact CD2-CD1 3.92Å; L1406-I1409 WeakPolarHBondContact O-CB 3.46Å; L1406-I1409 PolarHBondContact O-N 3.2Å; L1406-K1410 PolarHBondContact O-N 3.46Å
1407	N	30	Very low	28.8	Very low	111.6 Å²	111.6	123.2 Å²	123.2	60%	0.597	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-73.6	-22.1	178.9	-72.8	-55.5	0	0	0	113.6	N1405 I1409 K1410 D1411	N1405-N1407 PolarHBondContact O-N 2.99Å; N1405-N1407 VanDerWaalsContact O-N 3.11Å; N1405-N1407 WeakPolarHBondContact OD1-CB 3.34Å; N1405-N1407 PolarHBondContact OD1-N 3.2Å; N1405-N1407 VanDerWaalsContact OD1-N 3.12Å; N1405-N1407 PolarHBondContact OD1-ND2 2.83Å; N1407-I1409 VanDerWaalsContact C-N 3.28Å; N1407-I1409 PolarHBondContact O-N 2.88Å; N1407-I1409 VanDerWaalsContact O-N 3.16Å; N1407-K1410 CarbonylContact O-C 3.51Å; N1407-K1410 WeakPolarHBondContact O-CA 3.41Å; N1407-K1410 WeakPolarHBondContact O-CB 3.46Å; N1407-K1410 PolarHBondContact O-N 3.21Å; N1407-D1411 VanDerWaalsContact O-CG 3.32Å; N1407-D1411 PolarHBondContact O-N 2.88Å
1408	Y	31	Very low	28.9	Very low	159.2 Å²	159.2	120.8 Å²	120.8	62%	0.624	67%	0.669	S	S	*	*	H	α-helix	trans	-77	-3.6	174	-93.1	-81.3	0	0	0	112.8	M1404 N1405 L1406 K1410 D1411 I1412	M1404-Y1408 HydrophobicContact CE-CD1 4.05Å; M1404-Y1408 HydrophobicContact SD-CD1 4.31Å; N1405-Y1408 HydrophobicContact CB-CD2 4.01Å; N1405-Y1408 HydrophobicContact CB-CE2 4.25Å; N1405-Y1408 WeakPolarHBondContact O-CB 3.45Å; N1405-Y1408 PolarHBondContact O-N 2.98Å; L1406-Y1408 VanDerWaalsContact C-N 3.29Å; L1406-Y1408 PolarHBondContact O-N 2.78Å; L1406-Y1408 VanDerWaalsContact O-N 3.14Å; Y1408-K1410 VanDerWaalsContact C-N 3.26Å; Y1408-K1410 PolarHBondContact O-N 2.83Å; Y1408-D1411 WeakPolarHBondContact CD1-OD2 3.24Å; Y1408-D1411 PolarHBondContact O-N 3.16Å; Y1408-D1411 VanDerWaalsContact O-N 3.1Å; Y1408-I1412 HydrophobicContact CD1-CD1 3.83Å; Y1408-I1412 HydrophobicContact CD1-CG1 4.35Å; Y1408-I1412 HydrophobicContact CE1-CD1 4.1Å; Y1408-I1412 HydrophobicContact CE1-CG1 4.5Å; Y1408-I1412 WeakPolarHBondContact O-CD1 3.42Å; Y1408-I1412 VanDerWaalsContact O-CG1 3.29Å; Y1408-I1412 WeakPolarHBondContact O-CG1 3.25Å; Y1408-I1412 PolarHBondContact O-N 3.14Å; Y1408-I1412 VanDerWaalsContact O-N 3.11Å
1409	I	34.5	Very low	28.9	Very low	77.6 Å²	77.6	125.6 Å²	125.6	40%	0.398	67%	0.673	S	S	.	*	H	α-helix	trans	-58.9	-11.9	163.3	-63	176.5	0	0	0	110.6	M1404 L1406 N1407 D1411 L1413 V1602	M1404-I1409 HydrophobicContact CE-CG1 3.94Å; L1406-I1409 HydrophobicContact CD2-CD1 3.92Å; L1406-I1409 WeakPolarHBondContact O-CB 3.46Å; L1406-I1409 PolarHBondContact O-N 3.2Å; N1407-I1409 VanDerWaalsContact C-N 3.28Å; N1407-I1409 PolarHBondContact O-N 2.88Å; N1407-I1409 VanDerWaalsContact O-N 3.16Å; I1409-D1411 HydrophobicContact CG2-CB 3.53Å; I1409-D1411 VanDerWaalsContact CG2-OD2 3.24Å; I1409-D1411 WeakPolarHBondContact CG2-OD2 3.23Å; I1409-L1413 HydrophobicContact CG2-CD1 3.95Å; I1409-L1413 WeakPolarHBondContact O-CB 3.4Å; I1409-L1413 WeakPolarHBondContact O-CD1 3.41Å; I1409-L1413 VanDerWaalsContact O-CG 3.3Å; I1409-L1413 WeakPolarHBondContact O-CG 3.25Å; I1409-L1413 PolarHBondContact O-N 3.1Å; I1409-L1413 VanDerWaalsContact O-N 3.12Å; I1409-V1602 HydrophobicContact CG2-CG1 3.71Å
1410	K	31.2	Very low	29	Very low	147 Å²	147	125.1 Å²	125.1	64%	0.639	67%	0.674	S	S	*	*	H	α-helix	trans	-62	-29.9	163.8	-88	-178	175.4	178.1	0	113.8	N1030 L1406 N1407 Y1408 I1412 L1413 S1414	N1030-K1410 WeakPolarHBondContact O-CE 3.37Å; N1030-K1410 PolarHBondContact O-NZ 3.42Å; L1406-K1410 PolarHBondContact O-N 3.46Å; N1407-K1410 CarbonylContact O-C 3.51Å; N1407-K1410 WeakPolarHBondContact O-CA 3.41Å; N1407-K1410 WeakPolarHBondContact O-CB 3.46Å; N1407-K1410 PolarHBondContact O-N 3.21Å; Y1408-K1410 VanDerWaalsContact C-N 3.26Å; Y1408-K1410 PolarHBondContact O-N 2.83Å; K1410-I1412 VanDerWaalsContact C-N 3.29Å; K1410-I1412 PolarHBondContact O-N 3Å; K1410-L1413 CarbonylContact O-C 3.53Å; K1410-L1413 PolarHBondContact O-N 2.87Å; K1410-L1413 VanDerWaalsContact O-N 3.14Å; K1410-S1414 VanDerWaalsContact O-CB 3.23Å; K1410-S1414 WeakPolarHBondContact O-CB 3.29Å; K1410-S1414 PolarHBondContact O-N 3.21Å; K1410-S1414 VanDerWaalsContact O-N 3.11Å; K1410-S1414 PolarHBondContact O-OG 3Å
1411	D	32	Very low	29.1	Very low	113.8 Å²	113.8	126.6 Å²	126.6	61%	0.609	67%	0.669	S	S	*	*	H	α-helix	trans	-79.1	-24.4	-179.5	-63	-27.9	0	0	0	112.5	N1407 Y1408 I1409 L1413 S1414	N1407-D1411 VanDerWaalsContact O-CG 3.32Å; N1407-D1411 PolarHBondContact O-N 2.88Å; Y1408-D1411 WeakPolarHBondContact CD1-OD2 3.24Å; Y1408-D1411 PolarHBondContact O-N 3.16Å; Y1408-D1411 VanDerWaalsContact O-N 3.1Å; I1409-D1411 HydrophobicContact CG2-CB 3.53Å; I1409-D1411 VanDerWaalsContact CG2-OD2 3.24Å; I1409-D1411 WeakPolarHBondContact CG2-OD2 3.23Å; D1411-L1413 VanDerWaalsContact C-N 3.31Å; D1411-L1413 PolarHBondContact O-N 2.87Å; D1411-S1414 PolarHBondContact O-N 2.76Å
1412	I	35.3	Very low	29.2	Very low	105.8 Å²	105.8	127.8 Å²	127.8	54%	0.543	68%	0.676	S	S	.	*	H	α-helix	trans	-74.7	-19.1	174.4	-59.7	172.4	0	0	0	111.8	Y1408 K1410 S1414	Y1408-I1412 HydrophobicContact CD1-CD1 3.83Å; Y1408-I1412 HydrophobicContact CD1-CG1 4.35Å; Y1408-I1412 HydrophobicContact CE1-CD1 4.1Å; Y1408-I1412 HydrophobicContact CE1-CG1 4.5Å; Y1408-I1412 WeakPolarHBondContact O-CD1 3.42Å; Y1408-I1412 VanDerWaalsContact O-CG1 3.29Å; Y1408-I1412 WeakPolarHBondContact O-CG1 3.25Å; Y1408-I1412 PolarHBondContact O-N 3.14Å; Y1408-I1412 VanDerWaalsContact O-N 3.11Å; K1410-I1412 VanDerWaalsContact C-N 3.29Å; K1410-I1412 PolarHBondContact O-N 3Å; I1412-S1414 VanDerWaalsContact C-N 3.31Å; I1412-S1414 PolarHBondContact O-N 3.28Å
1413	L	31.3	Very low	29.2	Very low	112 Å²	112	124.7 Å²	124.7	59%	0.586	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	19.4	-179.9	-68.8	175.1	0	0	0	113.7	I1409 K1410 D1411 M1578 V1602 A1604 L1609	I1409-L1413 HydrophobicContact CG2-CD1 3.95Å; I1409-L1413 WeakPolarHBondContact O-CB 3.4Å; I1409-L1413 WeakPolarHBondContact O-CD1 3.41Å; I1409-L1413 VanDerWaalsContact O-CG 3.3Å; I1409-L1413 WeakPolarHBondContact O-CG 3.25Å; I1409-L1413 PolarHBondContact O-N 3.1Å; I1409-L1413 VanDerWaalsContact O-N 3.12Å; K1410-L1413 CarbonylContact O-C 3.53Å; K1410-L1413 PolarHBondContact O-N 2.87Å; K1410-L1413 VanDerWaalsContact O-N 3.14Å; D1411-L1413 VanDerWaalsContact C-N 3.31Å; D1411-L1413 PolarHBondContact O-N 2.87Å; L1413-M1578 HydrophobicContact CD1-CE 4.06Å; L1413-M1578 HydrophobicContact CD2-CE 3.7Å; L1413-M1578 HydrophobicContact CG-CE 4.21Å; L1413-V1602 HydrophobicContact CD1-CG1 4.45Å; L1413-A1604 HydrophobicContact CD1-CB 3.58Å; L1413-A1604 HydrophobicContact CD2-CB 3.63Å; L1413-A1604 HydrophobicContact CG-CB 4.23Å; L1413-L1609 HydrophobicContact CD2-CD1 4.28Å
1414	S	28.7	Very low	29.1	Very low	87.8 Å²	87.8	123 Å²	123	61%	0.614	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	84.6	-179.1	-71.1	0	0	0	0	114.1	K1410 D1411 I1412	K1410-S1414 VanDerWaalsContact O-CB 3.23Å; K1410-S1414 WeakPolarHBondContact O-CB 3.29Å; K1410-S1414 PolarHBondContact O-N 3.21Å; K1410-S1414 VanDerWaalsContact O-N 3.11Å; K1410-S1414 PolarHBondContact O-OG 3Å; D1411-S1414 PolarHBondContact O-N 2.76Å; I1412-S1414 VanDerWaalsContact C-N 3.31Å; I1412-S1414 PolarHBondContact O-N 3.28Å
1415	L	26.7	Very low	29.1	Very low	142.6 Å²	142.6	122.3 Å²	122.3	75%	0.747	69%	0.686	S	S	*	*	S	Bend	trans	121.5	142.6	172.2	-61.7	170	0	0	0	115.7
1416	P	27.5	Very low	28.9	Very low	118 Å²	118	124.2 Å²	124.2	77%	0.766	70%	0.696	S	S	*	*			trans	-103.9	142	-151	35.8	-29	0	0	0	114.6	G1418	P1416-G1418 PolarHBondContact O-N 3.17Å
1417	V	29.2	Very low	28.7	Very low	125.6 Å²	125.6	123.6 Å²	123.6	76%	0.761	69%	0.693	S	S	*	*			trans	-41	121.1	165.7	178.7	0	0	0	0	114.3	R1419 V1437 L1440	V1417-R1419 HydrophobicContact CG1-CG 4.28Å; V1417-R1419 PolarHBondContact O-N 2.89Å; V1417-V1437 HydrophobicContact CG2-CG1 4.42Å; V1417-L1440 HydrophobicContact CG2-CD1 4.33Å
1418	G	27	Very low	28.7	Very low	70.8 Å²	70.8	124.6 Å²	124.6	73%	0.73	69%	0.693	S	S	*	*			trans	-131.5	102.9	168.1	0	0	0	0	0	112.8	P1416	P1416-G1418 PolarHBondContact O-N 3.17Å
1419	R	26.9	Very low	28.7	Very low	226.8 Å²	226.8	124.2 Å²	124.2	86%	0.856	70%	0.701	S	S	*	*			trans	-28.4	131.8	158.3	-78.8	-171.7	173.8	-146.7	0.9	114.4	V1417	V1417-R1419 HydrophobicContact CG1-CG 4.28Å; V1417-R1419 PolarHBondContact O-N 2.89Å
1420	L	27.2	Very low	28.5	Very low	150.6 Å²	150.6	124.1 Å²	124.1	79%	0.788	71%	0.706	S	S	*	*				-167.2	126.8	115.5	-151.6	75.4	0	0	0	112.2
1421	E	26.2	Very low	28.7	Very low	143.8 Å²	143.8	123.3 Å²	123.3	67%	0.672	71%	0.705	S	S	*	*			trans	-144.5	144.5	141	-76.3	-177.7	130.9	0	0	115.1	R817	R817-E1421 IonicContact CZ-OE2 2.69Å; R817-E1421 IonicContact NH1-OE2 3.67Å; R817-E1421 IonicContact NH2-OE1 3.03Å; R817-E1421 PolarHBondContact NH2-OE1 2.84Å; R817-E1421 IonicContact NH2-OE2 2.74Å; R817-E1421 PolarHBondContact NH2-OE2 3.4Å
1422	N	26.6	Very low	28.7	Very low	151.4 Å²	151.4	122.8 Å²	122.8	81%	0.81	72%	0.717	S	S	*	*			trans	105.5	115.6	140.2	-77	-42.3	0	0	0	116.5
1423	G	27.1	Very low	28.8	Very low	80.2 Å²	80.2	120.6 Å²	120.6	83%	0.827	72%	0.72	S	S	*	*			trans	-166.4	126.1	168.7	0	0	0	0	0	113.8
1424	G	25.2	Very low	29.3	Very low	78.2 Å²	78.2	119.4 Å²	119.4	81%	0.806	71%	0.714	S	S	*	*			trans	-117.1	151.8	-177.6	0	0	0	0	0	112.7	N1426	G1424-N1426 PolarHBondContact O-N 3.46Å
1425	V	26	Very low	29.9	Very low	133.8 Å²	133.8	121.6 Å²	121.6	81%	0.811	71%	0.714	S	S	*	*			trans	-102.8	137.7	177	-106.2	0	0	0	0	111.7	L1427	V1425-L1427 PolarHBondContact O-N 3.22Å
1426	N	26.4	Very low	30.5	Very low	143.8 Å²	143.8	120.2 Å²	120.2	77%	0.769	70%	0.704	S	S	*	*			trans	-109.1	128.7	154.8	-95.6	-39.8	0	0	0	112.3	G1424 F1428	G1424-N1426 PolarHBondContact O-N 3.46Å; N1426-F1428 VanDerWaalsContact C-N 3.28Å; N1426-F1428 PolarHBondContact OD1-O 3.3Å
1427	L	27.6	Very low	31.1	Very low	115.6 Å²	115.6	117.8 Å²	117.8	61%	0.605	69%	0.687	S	S	*	*			trans	-83.1	150.4	174.6	-82.8	124.2	0	0	0	111.9	V1425 E1436	V1425-L1427 PolarHBondContact O-N 3.22Å; L1427-E1436 WeakPolarHBondContact CD1-OE2 3.31Å
1428	F	29.9	Very low	31.5	Very low	133 Å²	133	116.2 Å²	116.2	58%	0.583	68%	0.679	S	S	*	*			trans	-35.9	128.3	162.5	-65.5	-87.3	0	0	0	112.1	N1426 C1430 L1612 H1626 G1642	N1426-F1428 VanDerWaalsContact C-N 3.28Å; N1426-F1428 PolarHBondContact OD1-O 3.3Å; F1428-C1430 PolarHBondContact O-N 3.12Å; F1428-C1430 PolarHBondContact O-SG 2.91Å; F1428-C1430 VanDerWaalsContact O-SG 3.42Å; F1428-L1612 HydrophobicContact CE1-CD2 4.01Å; F1428-L1612 HydrophobicContact CE2-CD2 4.32Å; F1428-L1612 HydrophobicContact CZ-CD2 3.8Å; F1428-H1626 AromaticContact CE2-CD2 3.96Å; F1428-H1626 AromaticContact CE2-NE2 3.93Å; F1428-G1642 VanDerWaalsContact CD1-O 3.3Å; F1428-G1642 WeakPolarHBondContact CD1-O 3.4Å
1429	N	31.2	Very low	31.8	Very low	149.6 Å²	149.6	117 Å²	117	80%	0.8	67%	0.672	S	S	*	*			trans	-96	110.6	151.9	-102	-10.1	0	0	0	113.7	Q1431	N1429-Q1431 PolarHBondContact O-N 3.49Å
1430	C	30	Very low	32	Very low	75.4 Å²	75.4	112.5 Å²	112.5	51%	0.509	66%	0.664	S	S	.	*	P	Polyproline II helix	trans	-78.5	137.7	170.9	-62	0	0	0	0	110.4	F1428 L1434	F1428-C1430 PolarHBondContact O-N 3.12Å; F1428-C1430 PolarHBondContact O-SG 2.91Å; F1428-C1430 VanDerWaalsContact O-SG 3.42Å; C1430-L1434 HydrophobicContact CB-CD1 4.39Å
1431	Q	34	Very low	32.3	Very low	129.8 Å²	129.8	110.9 Å²	110.9	61%	0.607	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-109.4	139.3	152.8	-154.9	166.2	-14.8	0	0	109.7	N1429 G1433 L1434	N1429-Q1431 PolarHBondContact O-N 3.49Å; Q1431-G1433 PolarHBondContact O-N 3.18Å; Q1431-L1434 PolarHBondContact O-N 3.29Å
1432	A	33.7	Very low	32.5	Very low	103.8 Å²	103.8	109.1 Å²	109.1	86%	0.858	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	127.4	164.6	0	0	0	0	0	111.4
1433	G	36.7	Very low	32.5	Very low	59.6 Å²	59.6	113.3 Å²	113.3	61%	0.614	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	143.1	10.2	-175.7	0	0	0	0	0	112.6	Q1431 E1435 P1631	Q1431-G1433 PolarHBondContact O-N 3.18Å; G1433-E1435 PolarHBondContact O-N 2.91Å; G1433-P1631 WeakPolarHBondContact O-CG 3.31Å
1434	L	40.8	Very low	32.7	Very low	87.4 Å²	87.4	117.7 Å²	117.7	46%	0.458	67%	0.669	S	S	.	*			trans	-87.7	122.7	164.5	-73.7	168.2	0	0	0	110.9	C1430 Q1431 F1610 Y1628 L1636 I1644 L1646	C1430-L1434 HydrophobicContact CB-CD1 4.39Å; Q1431-L1434 PolarHBondContact O-N 3.29Å; L1434-F1610 HydrophobicContact CD2-CE1 4.12Å; L1434-F1610 HydrophobicContact CD2-CZ 4.08Å; L1434-Y1628 HydrophobicContact CB-CD1 4.42Å; L1434-L1636 HydrophobicContact CD2-CD1 4.21Å; L1434-L1636 HydrophobicContact CD2-CD2 3.77Å; L1434-I1644 HydrophobicContact CD1-CB 4.42Å; L1434-I1644 HydrophobicContact CD1-CG2 3.88Å; L1434-L1646 HydrophobicContact CD2-CB 4.19Å; L1434-L1646 HydrophobicContact CD2-CD1 4.05Å; L1434-L1646 HydrophobicContact CD2-CD2 4.25Å; L1434-L1646 HydrophobicContact CD2-CG 4.37Å; L1434-L1646 HydrophobicContact CG-CB 4.3Å; L1434-L1646 HydrophobicContact CG-CD2 4.34Å
1435	E	42.1	Very low	32.9	Very low	134 Å²	134	118.8 Å²	118.8	63%	0.626	66%	0.664	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.3	113.9	160.3	-169.7	167.6	-151	0	0	110.8	G1433 V1437 Y1628 R1629	G1433-E1435 PolarHBondContact O-N 2.91Å; E1435-V1437 HydrophobicContact CG-CG2 4.34Å; E1435-V1437 PolarHBondContact O-N 3.02Å; E1435-V1437 VanDerWaalsContact O-N 3.14Å; E1435-Y1628 WeakPolarHBondContact O-CA 3.5Å; E1435-R1629 HydrophobicContact CB-CB 4.28Å; E1435-R1629 PolarHBondContact O-N 3.04Å; E1435-R1629 WeakPolarHBondContact OE2-CD 3.33Å; E1435-R1629 IonicContact OE2-CZ 2.75Å; E1435-R1629 IonicContact OE2-NH1 3.29Å; E1435-R1629 PolarHBondContact OE2-NH1 3.46Å
1436	E	40.4	Very low	33	Very low	112.6 Å²	112.6	121.3 Å²	121.3	53%	0.526	67%	0.667	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.9	116	165	-179.2	-177.1	174.6	0	0	108.7	L1427 P1438 H1626 Y1628	L1427-E1436 WeakPolarHBondContact CD1-OE2 3.31Å; E1436-P1438 VanDerWaalsContact O-CD 3.3Å; E1436-P1438 WeakPolarHBondContact O-CD 3.34Å; E1436-H1626 IonicContact OE1-CE1 3.68Å; E1436-H1626 PolarHBondContact OE1-CE1 2.91Å; E1436-H1626 IonicContact OE1-CG 3.7Å; E1436-H1626 IonicContact OE1-ND1 2.73Å; E1436-H1626 PolarHBondContact OE1-ND1 3.03Å; E1436-Y1628 HydrophobicContact CB-CE1 4.5Å
1437	V	40	Very low	33.1	Very low	69 Å²	69	123.5 Å²	123.5	42%	0.418	67%	0.673	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.7	111	176.7	-179.1	0	0	0	0	108.4	V1417 E1435 L1440 L1609 I1627 R1629	V1417-V1437 HydrophobicContact CG2-CG1 4.42Å; E1435-V1437 HydrophobicContact CG-CG2 4.34Å; E1435-V1437 PolarHBondContact O-N 3.02Å; E1435-V1437 VanDerWaalsContact O-N 3.14Å; V1437-L1440 HydrophobicContact CG1-CD1 4.28Å; V1437-L1440 HydrophobicContact CG1-CG 4.24Å; V1437-L1609 HydrophobicContact CG1-CD1 4.37Å; V1437-L1609 HydrophobicContact CG2-CD1 4.4Å; V1437-L1609 HydrophobicContact CG2-CD2 3.76Å; V1437-I1627 HydrophobicContact CB-CB 4.26Å; V1437-I1627 HydrophobicContact CB-CG2 4.2Å; V1437-I1627 PolarHBondContact N-O 2.94Å; V1437-R1629 HydrophobicContact CG2-CB 4.47Å
1438	P	36.2	Very low	33.1	Very low	90.2 Å²	90.2	123.2 Å²	123.2	59%	0.586	68%	0.681	S	S	*	*			trans	-64.1	140.1	178.5	-19.8	33.1	0	0	0	110.6	E1436 L1440	E1436-P1438 VanDerWaalsContact O-CD 3.3Å; E1436-P1438 WeakPolarHBondContact O-CD 3.34Å; P1438-L1440 PolarHBondContact O-N 2.94Å; P1438-L1440 VanDerWaalsContact O-N 3.13Å
1439	P	34.6	Very low	33	Very low	89.4 Å²	89.4	120.2 Å²	120.2	58%	0.581	69%	0.687	S	S	*	*			trans	-62.5	117.6	176.6	25	-33.1	0	0	0	110.2	V1441	P1439-V1441 VanDerWaalsContact C-N 3.26Å; P1439-V1441 PolarHBondContact O-N 3.31Å
1440	L	31	Very low	32.8	Very low	131 Å²	131	117.3 Å²	117.3	69%	0.686	68%	0.684	S	S	*	*			trans	-69.2	92.4	178.7	-70.9	172.7	0	0	0	110.5	V1417 V1437 P1438 P1442	V1417-L1440 HydrophobicContact CG2-CD1 4.33Å; V1437-L1440 HydrophobicContact CG1-CD1 4.28Å; V1437-L1440 HydrophobicContact CG1-CG 4.24Å; P1438-L1440 PolarHBondContact O-N 2.94Å; P1438-L1440 VanDerWaalsContact O-N 3.13Å; L1440-P1442 WeakPolarHBondContact O-CD 3.15Å
1441	V	32.8	Very low	32.7	Very low	118.2 Å²	118.2	117.9 Å²	117.9	72%	0.716	69%	0.694	S	S	*	*			trans	-75	119.8	170.8	-179.4	0	0	0	0	108.8	P1439 R1443	P1439-V1441 VanDerWaalsContact C-N 3.26Å; P1439-V1441 PolarHBondContact O-N 3.31Å; V1441-R1443 PolarHBondContact O-N 3.04Å
1442	P	29.8	Very low	32.3	Very low	104.2 Å²	104.2	119.1 Å²	119.1	68%	0.677	70%	0.704	S	S	*	*			trans	-64.1	128.1	179	-13.2	22.3	0	0	0	111.1	L1440 L1444	L1440-P1442 WeakPolarHBondContact O-CD 3.15Å; P1442-L1444 VanDerWaalsContact C-N 3.27Å; P1442-L1444 PolarHBondContact O-N 3.22Å
1443	R	27.2	Very low	32	Very low	240.4 Å²	240.4	118.5 Å²	118.5	91%	0.907	70%	0.699	S	S	*	*			trans	-74.8	96.3	172.4	-75.8	-92.9	-175.3	162.6	0.9	109.8	V1441 S1445	V1441-R1443 PolarHBondContact O-N 3.04Å; R1443-S1445 PolarHBondContact O-N 3.18Å; R1443-S1445 VanDerWaalsContact O-N 3.14Å
1444	L	30.6	Very low	31.7	Very low	171.8 Å²	171.8	118.7 Å²	118.7	90%	0.899	70%	0.701	S	S	*	*			trans	-73.9	114.9	160.8	-81.6	169.6	0	0	0	109.2	P1442 E1446	P1442-L1444 VanDerWaalsContact C-N 3.27Å; P1442-L1444 PolarHBondContact O-N 3.22Å; L1444-E1446 VanDerWaalsContact C-N 3.33Å; L1444-E1446 PolarHBondContact O-N 3.36Å
1445	S	29	Very low	31.2	Very low	102.4 Å²	102.4	121.8 Å²	121.8	72%	0.716	72%	0.717	S	S	*	*			trans	-97.9	119.9	-177.8	52.3	0	0	0	0	111.7	R1443 Q1447	R1443-S1445 PolarHBondContact O-N 3.18Å; R1443-S1445 VanDerWaalsContact O-N 3.14Å; S1445-Q1447 PolarHBondContact O-N 3.48Å
1446	E	28.3	Very low	30.5	Very low	186.2 Å²	186.2	119.9 Å²	119.9	87%	0.87	72%	0.718	S	S	*	*			trans	-48.2	119.4	156	-59.2	-178	154.5	0	0	113	L1444	L1444-E1446 VanDerWaalsContact C-N 3.33Å; L1444-E1446 PolarHBondContact O-N 3.36Å
1447	Q	29.1	Very low	30	Very low	189 Å²	189	124.9 Å²	124.9	88%	0.883	73%	0.732	S	S	*	*				176.8	123.9	109.6	-145.4	173.4	10.1	0	0	110.6	S1445	S1445-Q1447 PolarHBondContact O-N 3.48Å
1448	S	26.7	Very low	29.4	Very low	110.8 Å²	110.8	126.2 Å²	126.2	78%	0.775	75%	0.745	S	S	*	*			trans	168.7	127.1	147.1	-167.6	0	0	0	0	115.6
1449	G	27.7	Very low	29.1	Very low	69.4 Å²	69.4	128 Å²	128	72%	0.715	75%	0.754	S	S	*	*			trans	152.5	122.2	156.1	0	0	0	0	0	117.4
1450	A	27.4	Very low	28.8	Very low	89.6 Å²	89.6	128.9 Å²	128.9	74%	0.74	76%	0.763	S	S	*	*			trans	-99.5	141.5	-177.5	0	0	0	0	0	115.5
1451	A	28.1	Very low	28.6	Very low	87.4 Å²	87.4	128.1 Å²	128.1	72%	0.722	77%	0.766	S	S	*	*				111.3	134	110.3	0	0	0	0	0	116.9
1452	L	25.7	Very low	28.4	Very low	154.6 Å²	154.6	128.6 Å²	128.6	81%	0.809	77%	0.765	S	S	*	*				79.9	138.9	104.9	-108.2	122.1	0	0	0	118.3
1453	A	27.8	Very low	28.4	Very low	91.2 Å²	91.2	130.5 Å²	130.5	75%	0.754	77%	0.765	S	S	*	*			trans	117.6	140.3	139.1	0	0	0	0	0	118.3	I1455	A1453-I1455 HydrophobicContact CB-CD1 4.33Å
1454	G	29.4	Very low	28.4	Very low	64.6 Å²	64.6	123.4 Å²	123.4	67%	0.666	75%	0.752	S	S	*	*			trans	144.2	111.8	168.7	0	0	0	0	0	116.1	S1456	G1454-S1456 PolarHBondContact O-N 2.79Å
1455	I	31.1	Very low	28.3	Very low	150.8 Å²	150.8	121.1 Å²	121.1	77%	0.773	75%	0.745	S	S	*	*			trans	46.7	123.6	130.9	0.3	171.9	0	0	0	116.2	E1032 A1453	E1032-I1455 HydrophobicContact CG-CD1 4.36Å; A1453-I1455 HydrophobicContact CB-CD1 4.33Å
1456	S	28	Very low	28.3	Very low	94.2 Å²	94.2	120.9 Å²	120.9	66%	0.659	74%	0.744	S	S	*	*				-175	145.4	116.4	-63.3	0	0	0	0	116.5	G1454	G1454-S1456 PolarHBondContact O-N 2.79Å
1457	R	28.8	Very low	28.3	Very low	218 Å²	218	123.1 Å²	123.1	82%	0.823	74%	0.744	S	S	*	*				112	142.2	128.2	-66.6	177.2	177.9	166.1	-0.2	117.1
1458	S	28.3	Very low	28.1	Very low	97 Å²	97	120.7 Å²	120.7	68%	0.678	74%	0.738	S	S	*	*				149	130.7	85.8	-89.1	0	0	0	0	115.8
1459	T	29.1	Very low	28.5	Very low	126.8 Å²	126.8	120.5 Å²	120.5	78%	0.778	73%	0.734	S	S	*	*				75.8	131.5	102.1	47.7	0	0	0	0	117.4
1460	S	29.6	Very low	28.6	Very low	109.6 Å²	109.6	123.7 Å²	123.7	77%	0.766	74%	0.739	S	S	*	*				172.3	157.8	87.9	49.7	0	0	0	0	114
1461	C	26	Very low	28.6	Very low	113.2 Å²	113.2	124.9 Å²	124.9	77%	0.765	74%	0.737	S	S	*	*			trans	99.5	156	160.2	-55.4	0	0	0	0	118
1462	N	29.6	Very low	28.5	Very low	130 Å²	130	127.7 Å²	127.7	70%	0.695	74%	0.739	S	S	*	*			trans	117.2	140.1	143.7	-83.4	33.3	0	0	0	116.9
1463	E	28.1	Very low	28.6	Very low	143.2 Å²	143.2	124.6 Å²	124.6	67%	0.669	73%	0.73	S	S	*	*				104.9	134.4	85	-109.9	-179.3	112.8	0	0	119.1	V835 S836 T837	V835-E1463 CarbonylContact C-O 3.58Å; V835-E1463 WeakPolarHBondContact CG1-O 3.27Å; S836-E1463 CarbonylContact C-O 3.3Å; S836-E1463 VanDerWaalsContact CA-O 3.24Å; S836-E1463 WeakPolarHBondContact CA-O 3.36Å; S836-E1463 PolarHBondContact N-O 2.82Å; T837-E1463 HydrophobicContact CG2-CB 3.59Å; T837-E1463 HydrophobicContact CG2-CG 3.61Å; T837-E1463 WeakPolarHBondContact CG2-OE1 3.45Å; T837-E1463 PolarHBondContact N-O 3.12Å; T837-E1463 VanDerWaalsContact OG1-CB 3.32Å; T837-E1463 WeakPolarHBondContact OG1-CB 3.39Å; T837-E1463 PolarHBondContact OG1-OE1 3.04Å
1464	S	28.5	Very low	28.6	Very low	91.2 Å²	91.2	128.4 Å²	128.4	64%	0.638	73%	0.732	S	S	*	*				66.2	157.4	125.7	-67	0	0	0	0	118.3	V835 S836	V835-S1464 CarbonylContact C-O 3.54Å; V835-S1464 VanDerWaalsContact CA-O 3.23Å; V835-S1464 WeakPolarHBondContact CA-O 3.43Å; S836-S1464 CarbonylContact C-O 3.58Å; S836-S1464 PolarHBondContact N-O 3.34Å; S836-S1464 CarbonylContact O-C 3.49Å
1465	T	29.1	Very low	28.6	Very low	123 Å²	123	130 Å²	130	76%	0.755	73%	0.733	S	S	*	*			cis	-174	150	39.6	17.1	0	0	0	0	115.1	S836 T837	S836-T1465 PolarHBondContact O-N 3.41Å; S836-T1465 PolarHBondContact O-OG1 3.35Å; T837-T1465 WeakPolarHBondContact CG2-OG1 3.43Å
1466	S	27.9	Very low	28.5	Very low	100 Å²	100	129.4 Å²	129.4	70%	0.699	73%	0.731	S	S	*	*				134.2	141.8	119.9	85.3	0	0	0	0	116.9
1467	R	28.4	Very low	28.5	Very low	230.6 Å²	230.6	131.8 Å²	131.8	87%	0.87	74%	0.737	S	S	*	*				105.7	151.9	129	-95.9	-179.6	172.5	148.4	0	115.8
1468	D	25.3	Very low	28.7	Very low	138.6 Å²	138.6	126.6 Å²	126.6	74%	0.741	73%	0.729	S	S	*	*			cis	-128.6	156.7	-27.2	-130.4	-7.6	0	0	0	110.6
1469	P	34.2	Very low	28.6	Very low	107.8 Å²	107.8	125.9 Å²	125.9	70%	0.7	73%	0.729	S	S	*	*			trans	-116	158.9	-145.8	33.1	-19.8	0	0	0	114.6
1470	V	29.7	Very low	28.6	Very low	136.6 Å²	136.6	128.5 Å²	128.5	83%	0.828	73%	0.726	S	S	*	*			trans	179	131.8	160	152.5	0	0	0	0	112.2
1471	V	28.4	Very low	28.5	Very low	114.8 Å²	114.8	129.8 Å²	129.8	70%	0.696	72%	0.72	S	S	*	*				161.5	128.6	129.4	138.3	0	0	0	0	113.5
1472	I	25.5	Very low	28.5	Very low	146.4 Å²	146.4	127.8 Å²	127.8	75%	0.751	71%	0.707	S	S	*	*			trans	80.9	127.3	133.7	-74	162.3	0	0	0	116.2
1473	S	28.8	Very low	28.4	Very low	88.8 Å²	88.8	131.6 Å²	131.6	62%	0.621	71%	0.714	S	S	*	*				174.7	147.1	58.1	-73.9	0	0	0	0	115.4
1474	Q	26.9	Very low	28.3	Very low	172 Å²	172	129.7 Å²	129.7	80%	0.804	72%	0.716	S	S	*	*				68.4	133.6	84.8	-74.9	171.3	-21.5	0	0	116.2
1475	S	28.9	Very low	28.2	Very low	97 Å²	97	130.8 Å²	130.8	68%	0.678	72%	0.719	S	S	*	*			cis	-172.8	156.9	29.3	-45.2	0	0	0	0	110.2
1476	D	28.5	Very low	28.2	Very low	138.8 Å²	138.8	133.4 Å²	133.4	74%	0.742	72%	0.722	S	S	*	*				68.9	151.4	125.4	-56.1	-34	0	0	0	113.3
1477	D	29.9	Very low	28.3	Very low	144.6 Å²	144.6	133.9 Å²	133.9	77%	0.773	72%	0.723	S	S	*	*			cis	-141.4	149.5	10.6	-134	-9.7	0	0	0	112
1478	V	31.7	Very low	28.3	Very low	108.4 Å²	108.4	130.2 Å²	130.2	66%	0.657	72%	0.719	S	S	*	*			trans	31.1	135.6	133.4	174.6	0	0	0	0	113.2	Y1480	V1478-Y1480 HydrophobicContact CG1-CD1 4.43Å; V1478-Y1480 HydrophobicContact CG1-CD2 3.19Å; V1478-Y1480 HydrophobicContact CG1-CE1 4.36Å; V1478-Y1480 HydrophobicContact CG1-CE2 3.94Å; V1478-Y1480 VanDerWaalsContact CG1-CE2 3.46Å; V1478-Y1480 HydrophobicContact CG1-CG 4.16Å
1479	A	27.1	Very low	28.3	Very low	83.2 Å²	83.2	133.5 Å²	133.5	69%	0.688	72%	0.722	S	S	*	*				-177.5	151.2	84.3	0	0	0	0	0	112.5
1480	Y	27.9	Very low	28.1	Very low	180.8 Å²	180.8	134.1 Å²	134.1	71%	0.709	72%	0.719	S	S	*	*			cis	143.3	134.2	50	-96.2	-57.3	0	0	0	109.7	I1375 V1478	I1375-Y1480 HydrophobicContact CD1-CD1 4.45Å; I1375-Y1480 HydrophobicContact CD1-CD2 3.96Å; I1375-Y1480 HydrophobicContact CD1-CE1 4.34Å; I1375-Y1480 HydrophobicContact CD1-CE2 3.85Å; I1375-Y1480 HydrophobicContact CD1-CG 4.31Å; I1375-Y1480 HydrophobicContact CG2-CD1 4.04Å; I1375-Y1480 HydrophobicContact CG2-CE1 3.42Å; I1375-Y1480 VanDerWaalsContact CG2-CE1 3.42Å; V1478-Y1480 HydrophobicContact CG1-CD1 4.43Å; V1478-Y1480 HydrophobicContact CG1-CD2 3.19Å; V1478-Y1480 HydrophobicContact CG1-CE1 4.36Å; V1478-Y1480 HydrophobicContact CG1-CE2 3.94Å; V1478-Y1480 VanDerWaalsContact CG1-CE2 3.46Å; V1478-Y1480 HydrophobicContact CG1-CG 4.16Å
1481	Q	28.5	Very low	27.9	Very low	136.6 Å²	136.6	135.4 Å²	135.4	64%	0.638	72%	0.718	S	S	*	*			cis	-163.9	152.7	37	-102.4	174.6	15.6	0	0	106.2	N1372 R1374 I1375	N1372-Q1481 WeakPolarHBondContact CB-O 3.31Å; N1372-Q1481 PolarHBondContact ND2-O 2.84Å; N1372-Q1481 PolarHBondContact OD1-O 2.72Å; R1374-Q1481 HydrophobicContact CB-CB 4.26Å; R1374-Q1481 HydrophobicContact CB-CG 3.62Å; R1374-Q1481 HydrophobicContact CG-CB 3.9Å; R1374-Q1481 HydrophobicContact CG-CG 3.71Å; R1374-Q1481 VanDerWaalsContact N-CB 3.35Å; R1374-Q1481 VanDerWaalsContact N-CG 3.27Å; R1374-Q1481 PolarHBondContact O-NE2 3.13Å; I1375-Q1481 HydrophobicContact CD1-CG 4.36Å; I1375-Q1481 HydrophobicContact CG1-CG 3.93Å
1482	S	26.1	Very low	27.8	Very low	72 Å²	72	135.4 Å²	135.4	50%	0.503	72%	0.718	S	S	.	*			cis	160.9	161.6	16.1	-82.9	0	0	0	0	113.9	S1373 R1374	S1373-S1482 CarbonylContact C-O 3.39Å; S1373-S1482 WeakPolarHBondContact CA-O 3.45Å; S1373-S1482 PolarHBondContact N-O 3.42Å; R1374-S1482 PolarHBondContact N-O 3.39Å; R1374-S1482 VanDerWaalsContact NE-CB 3.25Å; R1374-S1482 PolarHBondContact NE-OG 3.06Å; R1374-S1482 PolarHBondContact NH2-OG 3Å
1483	Y	27.5	Very low	27.9	Very low	210.2 Å²	210.2	134.8 Å²	134.8	82%	0.824	72%	0.716	S	S	*	*			trans	116	119	174.3	-74.8	-54.5	0	0	0	114.7	S1373 R1374 I1375	S1373-Y1483 WeakPolarHBondContact O-CD2 3.44Å; R1374-Y1483 HydrophobicContact CB-CD2 4.48Å; R1374-Y1483 HydrophobicContact CB-CE2 4.18Å; I1375-Y1483 PolarHBondContact O-OH 3.21Å
1484	S	24.6	Very low	27.8	Very low	101.8 Å²	101.8	137.3 Å²	137.3	71%	0.712	72%	0.722	S	S	*	*			trans	-159.9	140.7	135.8	-146.5	0	0	0	0	110.3
1485	T	28	Very low	27.8	Very low	114.2 Å²	114.2	134.7 Å²	134.7	70%	0.701	71%	0.714	S	S	*	*				-136.7	135.8	121	35.2	0	0	0	0	114.1
1486	H	27.7	Very low	27.7	Very low	177.8 Å²	177.8	137.9 Å²	137.9	82%	0.823	72%	0.718	S	S	*	*			trans	-171.3	144.3	142.8	-77.8	-49.4	0	0	0	114.2
1487	P	31.7	Very low	27.6	Very low	111 Å²	111	137.9 Å²	137.9	72%	0.721	72%	0.717	S	S	*	*			trans	-105.5	157.2	-171.7	37.9	-31.4	0	0	0	114.4	R1489	P1487-R1489 VanDerWaalsContact C-N 3.3Å; P1487-R1489 PolarHBondContact O-N 3.17Å
1488	L	26.8	Very low	27.4	Very low	151.8 Å²	151.8	136.6 Å²	136.6	80%	0.795	72%	0.718	S	S	*	*			trans	-132.4	126.3	154.7	-107.5	92.9	0	0	0	114	V1361 N1490	V1361-L1488 WeakPolarHBondContact O-CD2 3.42Å; L1488-N1490 VanDerWaalsContact C-N 3.35Å; L1488-N1490 PolarHBondContact O-N 3.2Å; L1488-N1490 VanDerWaalsContact O-N 3.1Å
1489	R	26.3	Very low	27.1	Very low	209.2 Å²	209.2	135.8 Å²	135.8	79%	0.789	72%	0.723	S	S	*	*			trans	-35.9	128.7	145.7	-88.2	-176.5	171	-173.9	-2.8	115.2	G1362 P1364 P1487	G1362-R1489 WeakPolarHBondContact O-CB 3.34Å; G1362-R1489 WeakPolarHBondContact O-CD 3.44Å; P1364-R1489 CarbonylContact C-O 3.55Å; P1364-R1489 VanDerWaalsContact CA-O 3.3Å; P1364-R1489 WeakPolarHBondContact CA-O 3.4Å; P1487-R1489 VanDerWaalsContact C-N 3.3Å; P1487-R1489 PolarHBondContact O-N 3.17Å
1490	N	29	Very low	26.9	Very low	119.2 Å²	119.2	137.4 Å²	137.4	64%	0.637	73%	0.728	S	S	*	*			trans	161.9	109.9	131.6	-92.3	0.3	0	0	0	114.9	L1363 L1488 T1492	L1363-N1490 HydrophobicContact CB-CB 3.91Å; L1363-N1490 HydrophobicContact CD1-CB 3.71Å; L1363-N1490 WeakPolarHBondContact CD1-ND2 3.27Å; L1363-N1490 HydrophobicContact CD2-CB 4.09Å; L1363-N1490 HydrophobicContact CG-CB 4.08Å; L1488-N1490 VanDerWaalsContact C-N 3.35Å; L1488-N1490 PolarHBondContact O-N 3.2Å; L1488-N1490 VanDerWaalsContact O-N 3.1Å; N1490-T1492 PolarHBondContact O-N 3.23Å
1491	M	25.4	Very low	26.8	Very low	164.8 Å²	164.8	135.4 Å²	135.4	81%	0.812	73%	0.73	S	S	*	*			trans	-29.2	133	150	-84.1	-166.7	-106.3	0	0	113.3	L1363	L1363-M1491 HydrophobicContact CD2-CB 4.37Å; L1363-M1491 HydrophobicContact CD2-CE 3.6Å
1492	T	27.7	Very low	26.8	Very low	114.8 Å²	114.8	137.7 Å²	137.7	70%	0.704	74%	0.74	S	S	*	*			trans	176.1	131.4	142.7	39	0	0	0	0	112.5	N1490	N1490-T1492 PolarHBondContact O-N 3.23Å
1493	N	27.4	Very low	26.7	Very low	133.2 Å²	133.2	138.2 Å²	138.2	71%	0.712	76%	0.758	S	S	*	*			trans	158.9	112.8	133.2	-104.1	-42.2	0	0	0	116.7	N1495	N1493-N1495 PolarHBondContact O-N 2.57Å; N1493-N1495 PolarHBondContact OD1-ND2 3.3Å
1494	L	26.4	Very low	26.6	Very low	141.2 Å²	141.2	131.7 Å²	131.7	74%	0.739	75%	0.754	S	S	*	*			trans	19.8	116.6	143.7	-66.1	152.6	0	0	0	115.5
1495	N	25.8	Very low	26.8	Very low	118.4 Å²	118.4	133.3 Å²	133.3	63%	0.633	76%	0.76	S	S	*	*				169.1	125.2	77.7	-78.7	-30.2	0	0	0	112.9	N1493	N1493-N1495 PolarHBondContact O-N 2.57Å; N1493-N1495 PolarHBondContact OD1-ND2 3.3Å
1496	H	27.4	Very low	26.6	Very low	163 Å²	163	131 Å²	131	76%	0.755	76%	0.759	S	S	*	*				167.4	122.2	87.8	-81.9	-56.6	0	0	0	115.3
1497	I	26.3	Very low	26.6	Very low	140.4 Å²	140.4	132 Å²	132	72%	0.72	76%	0.757	S	S	*	*			trans	65.4	116.3	130.1	-61.8	167.6	0	0	0	115.5
1498	S	25.1	Very low	26.3	Very low	115.8 Å²	115.8	134.2 Å²	134.2	81%	0.81	76%	0.763	S	S	*	*				-155.4	127.7	128.9	-61.7	0	0	0	0	114
1499	A	25.5	Very low	26.3	Very low	92.6 Å²	92.6	131.4 Å²	131.4	77%	0.765	76%	0.756	S	S	*	*				174.4	133.6	125.4	0	0	0	0	0	114.8
1500	C	24.7	Very low	26.3	Very low	116.8 Å²	116.8	126.8 Å²	126.8	79%	0.789	76%	0.755	S	S	*	*			trans	-107.3	116.7	160.1	55.2	0	0	0	0	114.9
1501	N	25.4	Very low	26.2	Very low	138 Å²	138	129.5 Å²	129.5	74%	0.738	76%	0.762	S	S	*	*			trans	91.4	124.4	141.1	-79.2	-20.3	0	0	0	118.3
1502	Q	27.2	Very low	26.2	Very low	184.6 Å²	184.6	126.9 Å²	126.9	86%	0.863	76%	0.76	S	S	*	*				106.9	124.8	119.1	-81.5	175.8	57.2	0	0	117.4
1503	G	25.4	Very low	26.3	Very low	84.4 Å²	84.4	129 Å²	129	87%	0.87	76%	0.76	S	S	*	*			trans	107.1	118.1	155.4	0	0	0	0	0	116.5
1504	G	24.8	Very low	26.4	Very low	72.8 Å²	72.8	127.4 Å²	127.4	75%	0.751	75%	0.754	S	S	*	*			trans	163.5	133.5	132.1	0	0	0	0	0	115.4
1505	T	28	Very low	26.9	Very low	135.6 Å²	135.6	126 Å²	126	83%	0.832	75%	0.754	S	S	*	*			trans	18.1	133.6	158.8	53.5	0	0	0	0	117.7
1506	G	24.6	Very low	27.3	Very low	65.4 Å²	65.4	128.8 Å²	128.8	67%	0.674	76%	0.763	S	S	*	*			trans	151.6	109.1	153.2	0	0	0	0	0	114.8
1507	Y	28.4	Very low	27.7	Very low	198.6 Å²	198.6	128.4 Å²	128.4	78%	0.779	76%	0.762	S	S	*	*			trans	-141	119.9	166.1	-79.2	-74.4	0	0	0	112.4	S1509	Y1507-S1509 PolarHBondContact O-N 3.17Å; Y1507-S1509 VanDerWaalsContact O-N 3.1Å; Y1507-S1509 PolarHBondContact O-OG 3.12Å
1508	N	25.2	Very low	28.3	Very low	158.4 Å²	158.4	128 Å²	128	85%	0.847	76%	0.761	S	S	*	*			trans	-69.9	118.6	170.8	-66.5	-15.9	0	0	0	113.6	S1510	N1508-S1510 PolarHBondContact O-N 3.05Å
1509	S	26.8	Very low	28.8	Very low	92.4 Å²	92.4	127 Å²	127	65%	0.646	75%	0.749	S	S	*	*			trans	-136.9	98.8	157.7	56.4	0	0	0	0	112.4	Y1507 F1511	Y1507-S1509 PolarHBondContact O-N 3.17Å; Y1507-S1509 VanDerWaalsContact O-N 3.1Å; Y1507-S1509 PolarHBondContact O-OG 3.12Å; S1509-F1511 WeakPolarHBondContact O-CD2 3.29Å; S1509-F1511 PolarHBondContact O-N 3.28Å; S1509-F1511 VanDerWaalsContact O-N 3.12Å; S1509-F1511 VanDerWaalsContact OG-CE2 3.28Å; S1509-F1511 WeakPolarHBondContact OG-CE2 3.42Å
1510	S	25	Very low	29.5	Very low	112.8 Å²	112.8	128.8 Å²	128.8	79%	0.789	75%	0.746	S	S	*	*			trans	-89.2	100.5	172.6	44.3	0	0	0	0	111.6	N1508 S1512	N1508-S1510 PolarHBondContact O-N 3.05Å; S1510-S1512 PolarHBondContact O-N 3.35Å; S1510-S1512 VanDerWaalsContact O-N 3.11Å
1511	F	28	Very low	30.1	Very low	175.6 Å²	175.6	126.8 Å²	126.8	77%	0.77	73%	0.73	S	S	*	*			trans	-55.3	112.7	166.1	-77.5	-80.7	0	0	0	113.4	S1509 F1513	S1509-F1511 WeakPolarHBondContact O-CD2 3.29Å; S1509-F1511 PolarHBondContact O-N 3.28Å; S1509-F1511 VanDerWaalsContact O-N 3.12Å; S1509-F1511 VanDerWaalsContact OG-CE2 3.28Å; S1509-F1511 WeakPolarHBondContact OG-CE2 3.42Å; F1511-F1513 VanDerWaalsContact C-N 3.29Å; F1511-F1513 HydrophobicContact CB-CE2 4.43Å; F1511-F1513 HydrophobicContact CD1-CD2 4.31Å; F1511-F1513 AromaticContact CD1-CE2 3.56Å; F1511-F1513 HydrophobicContact CD1-CE2 3.56Å; F1511-F1513 HydrophobicContact CD1-CZ 4.15Å; F1511-F1513 AromaticContact CE1-CE2 3.65Å; F1511-F1513 HydrophobicContact CE1-CE2 3.65Å; F1511-F1513 AromaticContact CE1-CZ 3.87Å; F1511-F1513 HydrophobicContact CE1-CZ 3.87Å; F1511-F1513 PolarHBondContact O-N 3.02Å
1512	S	25.3	Very low	31	Very low	110 Å²	110	125.1 Å²	125.1	77%	0.769	73%	0.725	S	S	*	*			trans	-87.8	112.6	161.9	-172.4	0	0	0	0	110.2	S1510 T1514	S1510-S1512 PolarHBondContact O-N 3.35Å; S1510-S1512 VanDerWaalsContact O-N 3.11Å; S1512-T1514 PolarHBondContact O-N 3.09Å; S1512-T1514 VanDerWaalsContact O-N 3.11Å
1513	F	29.8	Very low	31.7	Very low	159.6 Å²	159.6	119.2 Å²	119.2	70%	0.7	70%	0.701	S	S	*	*			trans	-73	129.9	171.7	-87.9	-88.8	0	0	0	110.5	F1511	F1511-F1513 VanDerWaalsContact C-N 3.29Å; F1511-F1513 HydrophobicContact CB-CE2 4.43Å; F1511-F1513 HydrophobicContact CD1-CD2 4.31Å; F1511-F1513 AromaticContact CD1-CE2 3.56Å; F1511-F1513 HydrophobicContact CD1-CE2 3.56Å; F1511-F1513 HydrophobicContact CD1-CZ 4.15Å; F1511-F1513 AromaticContact CE1-CE2 3.65Å; F1511-F1513 HydrophobicContact CE1-CE2 3.65Å; F1511-F1513 AromaticContact CE1-CZ 3.87Å; F1511-F1513 HydrophobicContact CE1-CZ 3.87Å; F1511-F1513 PolarHBondContact O-N 3.02Å
1514	T	29.7	Very low	32.7	Very low	98.2 Å²	98.2	120.4 Å²	120.4	60%	0.602	69%	0.692	S	S	*	*			trans	-92.8	141	156.4	36.4	0	0	0	0	108.7	S1512 E1516 E1517	S1512-T1514 PolarHBondContact O-N 3.09Å; S1512-T1514 VanDerWaalsContact O-N 3.11Å; T1514-E1516 VanDerWaalsContact C-N 3.29Å; T1514-E1516 PolarHBondContact O-N 3.1Å; T1514-E1517 PolarHBondContact O-N 2.72Å; T1514-E1517 VanDerWaalsContact O-N 3.15Å
1515	P	36.2	Very low	33.8	Very low	112.8 Å²	112.8	119.4 Å²	119.4	73%	0.732	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	16.5	-166.2	22	-18.6	0	0	0	113.5	E1517 L1518	P1515-E1517 PolarHBondContact O-N 3.48Å; P1515-L1518 WeakPolarHBondContact O-CB 3.18Å; P1515-L1518 PolarHBondContact O-N 2.92Å; P1515-L1518 VanDerWaalsContact O-N 3.15Å
1516	E	34.7	Very low	34.9	Very low	176.4 Å²	176.4	115 Å²	115	82%	0.824	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	13.4	177.9	-61.6	-170.2	161.3	0	0	115.2	T1514 L1518	T1514-E1516 VanDerWaalsContact C-N 3.29Å; T1514-E1516 PolarHBondContact O-N 3.1Å; E1516-L1518 PolarHBondContact O-N 3.45Å
1517	E	36.2	Very low	36.2	Very low	154.2 Å²	154.2	114.8 Å²	114.8	72%	0.721	64%	0.635	S	S	*	*	S	Bend	trans	-116.6	59.2	174.8	-102.4	-175.8	157.8	0	0	111.4	T1514 P1515 V1519	T1514-E1517 PolarHBondContact O-N 2.72Å; T1514-E1517 VanDerWaalsContact O-N 3.15Å; P1515-E1517 PolarHBondContact O-N 3.48Å; E1517-V1519 PolarHBondContact O-N 3.1Å; E1517-V1519 VanDerWaalsContact O-N 3.13Å
1518	L	37.6	Very low	37.3	Very low	133.6 Å²	133.6	110.6 Å²	110.6	70%	0.699	62%	0.618	S	S	*	*			trans	-87.4	103.9	-179.1	-85.4	164.4	0	0	0	111.4	P1515 E1516 N1520	P1515-L1518 WeakPolarHBondContact O-CB 3.18Å; P1515-L1518 PolarHBondContact O-N 2.92Å; P1515-L1518 VanDerWaalsContact O-N 3.15Å; E1516-L1518 PolarHBondContact O-N 3.45Å; L1518-N1520 VanDerWaalsContact C-N 3.26Å; L1518-N1520 PolarHBondContact O-N 3.08Å
1519	V	36.8	Very low	38.6	Very low	94 Å²	94	104.8 Å²	104.8	57%	0.57	59%	0.587	S	S	*	*			trans	-79.7	98.4	176.7	-176.9	0	0	0	0	110.2	E1517 V1521 W2101	E1517-V1519 PolarHBondContact O-N 3.1Å; E1517-V1519 VanDerWaalsContact O-N 3.13Å; V1519-V1521 HydrophobicContact CG1-CG2 4.07Å; V1519-V1521 PolarHBondContact O-N 3.14Å; V1519-W2101 HydrophobicContact CB-CZ2 3.9Å; V1519-W2101 HydrophobicContact CG1-CZ2 4.2Å; V1519-W2101 HydrophobicContact CG2-CZ2 3.73Å
1520	N	39.2	Very low	40	Very low	129.6 Å²	129.6	103.9 Å²	103.9	69%	0.693	57%	0.573	S	S	*	*			trans	-74.5	99.8	178.1	-89.4	-8.6	0	0	0	111.5	L1518 T1522	L1518-N1520 VanDerWaalsContact C-N 3.26Å; L1518-N1520 PolarHBondContact O-N 3.08Å; N1520-T1522 VanDerWaalsContact C-N 3.28Å; N1520-T1522 PolarHBondContact O-N 3.41Å
1521	V	38.2	Very low	41.5	Very low	76.6 Å²	76.6	102.7 Å²	102.7	46%	0.464	56%	0.561	S	S	.	*			trans	-89.6	98.2	175.2	-177.1	0	0	0	0	110.5	V1519 V1523 F1700	V1519-V1521 HydrophobicContact CG1-CG2 4.07Å; V1519-V1521 PolarHBondContact O-N 3.14Å; V1521-V1523 HydrophobicContact CG1-CG2 4.09Å; V1521-V1523 PolarHBondContact O-N 2.96Å; V1521-F1700 HydrophobicContact CB-CD2 4.19Å; V1521-F1700 HydrophobicContact CB-CE2 4.32Å; V1521-F1700 HydrophobicContact CB-CZ 3.64Å; V1521-F1700 HydrophobicContact CG1-CD2 3.78Å; V1521-F1700 HydrophobicContact CG1-CE2 3.9Å; V1521-F1700 VanDerWaalsContact CG1-CE2 3.46Å; V1521-F1700 HydrophobicContact CG1-CZ 4.08Å; V1521-F1700 HydrophobicContact CG2-CD2 4.34Å; V1521-F1700 HydrophobicContact CG2-CE1 4.11Å; V1521-F1700 HydrophobicContact CG2-CE2 4.47Å; V1521-F1700 HydrophobicContact CG2-CZ 3.65Å
1522	T	43.4	Very low	42.7	Very low	101.8 Å²	101.8	96 Å²	96	63%	0.625	53%	0.534	S	S	*	.			trans	-80	111.9	173.7	-53.3	0	0	0	0	110.8	N1520 T1524	N1520-T1522 VanDerWaalsContact C-N 3.28Å; N1520-T1522 PolarHBondContact O-N 3.41Å; T1522-T1524 PolarHBondContact O-N 3.04Å; T1522-T1524 VanDerWaalsContact O-N 3.11Å
1523	V	41.9	Very low	44.3	Very low	61.2 Å²	61.2	92.6 Å²	92.6	37%	0.371	51%	0.507	S	S	.	.			trans	-95	117.3	172.1	-174.7	0	0	0	0	110	V1521 I1525 F1700 L1704 L1707	V1521-V1523 HydrophobicContact CG1-CG2 4.09Å; V1521-V1523 PolarHBondContact O-N 2.96Å; V1523-I1525 HydrophobicContact CG1-CG1 4.12Å; V1523-I1525 HydrophobicContact CG1-CG2 4.39Å; V1523-I1525 PolarHBondContact O-N 3.1Å; V1523-I1525 VanDerWaalsContact O-N 3.16Å; V1523-F1700 HydrophobicContact CG2-CE2 4.28Å; V1523-L1704 HydrophobicContact CG2-CD1 3.62Å; V1523-L1707 HydrophobicContact CB-CD1 4.14Å; V1523-L1707 HydrophobicContact CG1-CB 4.49Å; V1523-L1707 HydrophobicContact CG1-CD1 4.03Å; V1523-L1707 HydrophobicContact CG2-CD1 4.19Å
1524	T	46.5	Very low	45.8	Very low	109.4 Å²	109.4	90.7 Å²	90.7	67%	0.671	50%	0.499	S	S	*	.			trans	-77.4	103	175.9	-48.2	0	0	0	0	110.3	P1142 T1522 P1526	P1142-T1524 HydrophobicContact CG-CG2 4.09Å; T1522-T1524 PolarHBondContact O-N 3.04Å; T1522-T1524 VanDerWaalsContact O-N 3.11Å; T1524-P1526 WeakPolarHBondContact O-CD 3.45Å
1525	I	48	Very low	47.1	Very low	50.6 Å²	50.6	90.1 Å²	90.1	26%	0.259	49%	0.492	S	S	.	.			trans	-90.5	141	172.1	15.9	172.9	0	0	0	109.5	V1523 A1527 L1529 E1530 L1533 L1707	V1523-I1525 HydrophobicContact CG1-CG1 4.12Å; V1523-I1525 HydrophobicContact CG1-CG2 4.39Å; V1523-I1525 PolarHBondContact O-N 3.1Å; V1523-I1525 VanDerWaalsContact O-N 3.16Å; I1525-A1527 PolarHBondContact O-N 3.05Å; I1525-L1529 VanDerWaalsContact CG2-C 3.43Å; I1525-L1529 HydrophobicContact CG2-CB 3.98Å; I1525-L1529 HydrophobicContact CG2-CD2 4.31Å; I1525-E1530 HydrophobicContact CB-CB 4.31Å; I1525-E1530 HydrophobicContact CD1-CB 4Å; I1525-E1530 HydrophobicContact CD1-CG 4.28Å; I1525-E1530 HydrophobicContact CG2-CB 3.99Å; I1525-E1530 VanDerWaalsContact CG2-N 3.3Å; I1525-L1533 HydrophobicContact CB-CD1 4.35Å; I1525-L1533 HydrophobicContact CD1-CB 4.37Å; I1525-L1533 HydrophobicContact CD1-CD1 3.79Å; I1525-L1533 HydrophobicContact CD1-CD2 4.18Å; I1525-L1533 HydrophobicContact CD1-CG 4.41Å; I1525-L1533 HydrophobicContact CG1-CD1 4.48Å; I1525-L1533 HydrophobicContact CG2-CD1 3.88Å; I1525-L1707 HydrophobicContact CG2-CD2 3.84Å
1526	P	50.4	Low	48.1	Very low	43.4 Å²	43.4	86.5 Å²	86.5	28%	0.282	47%	0.466	S	S	.	.			trans	-62.1	136.3	171	-21.1	32.9	0	0	0	110.9	T1524 Y1528 L1529 E1530	T1524-P1526 WeakPolarHBondContact O-CD 3.45Å; P1526-Y1528 VanDerWaalsContact C-N 3.25Å; P1526-Y1528 HydrophobicContact CB-CD1 3.65Å; P1526-Y1528 HydrophobicContact CB-CE1 3.27Å; P1526-Y1528 HydrophobicContact CB-CE2 4.32Å; P1526-Y1528 HydrophobicContact CB-CG 4.43Å; P1526-Y1528 HydrophobicContact CG-CE1 4.06Å; P1526-Y1528 CarbonylContact O-C 3.59Å; P1526-Y1528 PolarHBondContact O-N 2.95Å; P1526-Y1528 VanDerWaalsContact O-N 3.13Å; P1526-L1529 HydrophobicContact CB-CB 4.45Å; P1526-L1529 HydrophobicContact CG-CD1 4.34Å; P1526-L1529 CarbonylContact O-C 3.57Å; P1526-L1529 VanDerWaalsContact O-CA 3.3Å; P1526-L1529 WeakPolarHBondContact O-CA 3.46Å; P1526-L1529 WeakPolarHBondContact O-CB 3.36Å; P1526-L1529 PolarHBondContact O-N 3.38Å; P1526-E1530 PolarHBondContact O-N 3.13Å
1527	A	52.2	Low	49.2	Very low	62.6 Å²	62.6	80.5 Å²	80.5	52%	0.517	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-55.9	-31.6	-174.3	0	0	0	0	0	114.3	I1525 L1529 E1530 T1531	I1525-A1527 PolarHBondContact O-N 3.05Å; A1527-L1529 PolarHBondContact O-N 3.25Å; A1527-L1529 VanDerWaalsContact O-N 3.12Å; A1527-E1530 VanDerWaalsContact O-CB 3.29Å; A1527-E1530 WeakPolarHBondContact O-CB 3.31Å; A1527-E1530 PolarHBondContact O-N 3.02Å; A1527-T1531 WeakPolarHBondContact O-CB 3.38Å; A1527-T1531 PolarHBondContact O-N 3.16Å; A1527-T1531 PolarHBondContact O-OG1 3.06Å
1528	Y	52.1	Low	50.2	Low	109.4 Å²	109.4	76 Å²	76	43%	0.429	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-66.3	-23.9	174.8	70.1	-97.2	0	0	0	113.5	P1526 T1532 C1565 S1566 P1714	P1526-Y1528 VanDerWaalsContact C-N 3.25Å; P1526-Y1528 HydrophobicContact CB-CD1 3.65Å; P1526-Y1528 HydrophobicContact CB-CE1 3.27Å; P1526-Y1528 HydrophobicContact CB-CE2 4.32Å; P1526-Y1528 HydrophobicContact CB-CG 4.43Å; P1526-Y1528 HydrophobicContact CG-CE1 4.06Å; P1526-Y1528 CarbonylContact O-C 3.59Å; P1526-Y1528 PolarHBondContact O-N 2.95Å; P1526-Y1528 VanDerWaalsContact O-N 3.13Å; Y1528-T1532 WeakPolarHBondContact O-CB 3.33Å; Y1528-T1532 PolarHBondContact O-N 3.08Å; Y1528-T1532 PolarHBondContact O-OG1 3.18Å; Y1528-C1565 HydrophobicContact CE2-CB 4.31Å; Y1528-S1566 VanDerWaalsContact CB-O 3.28Å; Y1528-S1566 WeakPolarHBondContact CB-O 3.31Å; Y1528-P1714 HydrophobicContact CE2-CG 4.37Å; Y1528-P1714 VanDerWaalsContact OH-CG 3.29Å; Y1528-P1714 WeakPolarHBondContact OH-CG 3.17Å
1529	L	52.5	Low	51	Low	36 Å²	36	72.9 Å²	72.9	19%	0.188	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-87.3	-18.7	173.3	-86.1	164.3	0	0	0	112.3	I1525 P1526 A1527 T1531 T1532 L1533 V1568 L1710	I1525-L1529 VanDerWaalsContact CG2-C 3.43Å; I1525-L1529 HydrophobicContact CG2-CB 3.98Å; I1525-L1529 HydrophobicContact CG2-CD2 4.31Å; P1526-L1529 HydrophobicContact CB-CB 4.45Å; P1526-L1529 HydrophobicContact CG-CD1 4.34Å; P1526-L1529 CarbonylContact O-C 3.57Å; P1526-L1529 VanDerWaalsContact O-CA 3.3Å; P1526-L1529 WeakPolarHBondContact O-CA 3.46Å; P1526-L1529 WeakPolarHBondContact O-CB 3.36Å; P1526-L1529 PolarHBondContact O-N 3.38Å; A1527-L1529 PolarHBondContact O-N 3.25Å; A1527-L1529 VanDerWaalsContact O-N 3.12Å; L1529-T1531 VanDerWaalsContact C-N 3.34Å; L1529-T1531 PolarHBondContact O-N 3Å; L1529-T1532 CarbonylContact O-C 3.58Å; L1529-T1532 WeakPolarHBondContact O-CB 3.47Å; L1529-T1532 PolarHBondContact O-N 3.17Å; L1529-L1533 HydrophobicContact CB-CD1 4.1Å; L1529-L1533 HydrophobicContact CG-CD1 4.25Å; L1529-L1533 VanDerWaalsContact O-CB 3.28Å; L1529-L1533 WeakPolarHBondContact O-CB 3.28Å; L1529-L1533 WeakPolarHBondContact O-CD1 3.28Å; L1529-L1533 VanDerWaalsContact O-CG 3.31Å; L1529-L1533 WeakPolarHBondContact O-CG 3.36Å; L1529-L1533 PolarHBondContact O-N 3.1Å; L1529-V1568 HydrophobicContact CD2-CB 4.32Å; L1529-V1568 HydrophobicContact CD2-CG2 3.86Å; L1529-L1710 HydrophobicContact CD1-CB 4.39Å
1530	E	55.3	Low	51.8	Low	75 Å²	75	70.7 Å²	70.7	35%	0.35	40%	0.396	S	S	.	.	H	α-helix	trans	-63.7	-46.2	-178.6	-167	-169.2	144.1	0	0	111.4	I1525 P1526 A1527 T1532 L1533 K1534	I1525-E1530 HydrophobicContact CB-CB 4.31Å; I1525-E1530 HydrophobicContact CD1-CB 4Å; I1525-E1530 HydrophobicContact CD1-CG 4.28Å; I1525-E1530 HydrophobicContact CG2-CB 3.99Å; I1525-E1530 VanDerWaalsContact CG2-N 3.3Å; P1526-E1530 PolarHBondContact O-N 3.13Å; A1527-E1530 VanDerWaalsContact O-CB 3.29Å; A1527-E1530 WeakPolarHBondContact O-CB 3.31Å; A1527-E1530 PolarHBondContact O-N 3.02Å; E1530-T1532 VanDerWaalsContact C-N 3.34Å; E1530-L1533 PolarHBondContact O-N 3.25Å; E1530-K1534 HydrophobicContact CG-CD 4.33Å; E1530-K1534 VanDerWaalsContact O-CB 3.22Å; E1530-K1534 WeakPolarHBondContact O-CB 3.32Å; E1530-K1534 VanDerWaalsContact O-CG 3.31Å; E1530-K1534 WeakPolarHBondContact O-CG 3.29Å; E1530-K1534 PolarHBondContact O-N 2.94Å; E1530-K1534 VanDerWaalsContact OE1-CE 3.28Å; E1530-K1534 WeakPolarHBondContact OE1-CE 3.31Å; E1530-K1534 IonicContact OE1-NZ 3.33Å; E1530-K1534 PolarHBondContact OE1-NZ 3.01Å
1531	T	56.8	Low	52.4	Low	87 Å²	87	68.1 Å²	68.1	53%	0.534	39%	0.387	S	S	.	.	H	α-helix	trans	-65.8	-39.9	174.6	-47.7	0	0	0	0	111.4	A1527 L1529 L1533 K1534 N1535	A1527-T1531 WeakPolarHBondContact O-CB 3.38Å; A1527-T1531 PolarHBondContact O-N 3.16Å; A1527-T1531 PolarHBondContact O-OG1 3.06Å; L1529-T1531 VanDerWaalsContact C-N 3.34Å; L1529-T1531 PolarHBondContact O-N 3Å; T1531-L1533 VanDerWaalsContact C-N 3.32Å; T1531-L1533 PolarHBondContact O-N 3.22Å; T1531-K1534 PolarHBondContact O-N 2.99Å; T1531-N1535 VanDerWaalsContact O-CB 3.3Å; T1531-N1535 WeakPolarHBondContact O-CB 3.3Å; T1531-N1535 VanDerWaalsContact O-CG 3.23Å; T1531-N1535 PolarHBondContact O-N 2.88Å; T1531-N1535 PolarHBondContact O-ND2 3.38Å; T1531-N1535 PolarHBondContact O-OD1 2.96Å
1532	T	54.9	Low	53.2	Low	35.6 Å²	35.6	67.9 Å²	67.9	22%	0.218	39%	0.389	C	S	.	.	H	α-helix	trans	-61.6	-43.5	175.4	-56	0	0	0	0	111.4	Y1528 L1529 E1530 N1535 L1536 L1550 V1568 V1570	Y1528-T1532 WeakPolarHBondContact O-CB 3.33Å; Y1528-T1532 PolarHBondContact O-N 3.08Å; Y1528-T1532 PolarHBondContact O-OG1 3.18Å; L1529-T1532 CarbonylContact O-C 3.58Å; L1529-T1532 WeakPolarHBondContact O-CB 3.47Å; L1529-T1532 PolarHBondContact O-N 3.17Å; E1530-T1532 VanDerWaalsContact C-N 3.34Å; T1532-N1535 PolarHBondContact O-N 3.12Å; T1532-L1536 WeakPolarHBondContact O-CB 3.33Å; T1532-L1536 PolarHBondContact O-N 3.03Å; T1532-L1550 HydrophobicContact CG2-CD2 4.18Å; T1532-V1568 HydrophobicContact CG2-CB 3.75Å; T1532-V1568 HydrophobicContact CG2-CG1 3.92Å; T1532-V1568 HydrophobicContact CG2-CG2 4.48Å; T1532-V1568 PolarHBondContact OG1-N 3.12Å; T1532-V1568 PolarHBondContact OG1-O 3.06Å; T1532-V1570 HydrophobicContact CG2-CG2 4.28Å
1533	L	58.2	Low	53.5	Low	37.6 Å²	37.6	67.8 Å²	67.8	20%	0.197	39%	0.385	C	S	.	.	H	α-helix	trans	-72.2	-40.1	-179.7	-92.4	159	0	0	0	112	I1525 L1529 E1530 T1531 N1535 L1536 V1537 L1707 L1710	I1525-L1533 HydrophobicContact CB-CD1 4.35Å; I1525-L1533 HydrophobicContact CD1-CB 4.37Å; I1525-L1533 HydrophobicContact CD1-CD1 3.79Å; I1525-L1533 HydrophobicContact CD1-CD2 4.18Å; I1525-L1533 HydrophobicContact CD1-CG 4.41Å; I1525-L1533 HydrophobicContact CG1-CD1 4.48Å; I1525-L1533 HydrophobicContact CG2-CD1 3.88Å; L1529-L1533 HydrophobicContact CB-CD1 4.1Å; L1529-L1533 HydrophobicContact CG-CD1 4.25Å; L1529-L1533 VanDerWaalsContact O-CB 3.28Å; L1529-L1533 WeakPolarHBondContact O-CB 3.28Å; L1529-L1533 WeakPolarHBondContact O-CD1 3.28Å; L1529-L1533 VanDerWaalsContact O-CG 3.31Å; L1529-L1533 WeakPolarHBondContact O-CG 3.36Å; L1529-L1533 PolarHBondContact O-N 3.1Å; E1530-L1533 PolarHBondContact O-N 3.25Å; T1531-L1533 VanDerWaalsContact C-N 3.32Å; T1531-L1533 PolarHBondContact O-N 3.22Å; L1533-N1535 VanDerWaalsContact C-N 3.33Å; L1533-N1535 PolarHBondContact O-N 3.4Å; L1533-L1536 HydrophobicContact CD2-CD2 4.2Å; L1533-L1536 PolarHBondContact O-N 3.13Å; L1533-V1537 HydrophobicContact CD2-CG2 4.04Å; L1533-V1537 HydrophobicContact CG-CG2 4.48Å; L1533-V1537 WeakPolarHBondContact O-CB 3.28Å; L1533-V1537 VanDerWaalsContact O-CG2 3.29Å; L1533-V1537 WeakPolarHBondContact O-CG2 3.34Å; L1533-V1537 PolarHBondContact O-N 3.19Å; L1533-L1707 HydrophobicContact CD1-CD2 3.55Å; L1533-L1707 VanDerWaalsContact CD1-CD2 3.48Å; L1533-L1707 HydrophobicContact CD2-CD2 3.59Å; L1533-L1707 HydrophobicContact CD2-CG 4.35Å; L1533-L1707 HydrophobicContact CG-CD2 4.24Å; L1533-L1710 HydrophobicContact CD2-CD1 3.44Å; L1533-L1710 VanDerWaalsContact CD2-CD1 3.44Å; L1533-L1710 HydrophobicContact CG-CD1 4.31Å
1534	K	60.1	Low	53.8	Low	120.4 Å²	120.4	69 Å²	69	52%	0.523	39%	0.393	S	S	.	.	H	α-helix	trans	-60.2	-44.8	171.4	-75.6	173	175	173.5	0	111.4	E1530 T1531 S1538	E1530-K1534 HydrophobicContact CG-CD 4.33Å; E1530-K1534 VanDerWaalsContact O-CB 3.22Å; E1530-K1534 WeakPolarHBondContact O-CB 3.32Å; E1530-K1534 VanDerWaalsContact O-CG 3.31Å; E1530-K1534 WeakPolarHBondContact O-CG 3.29Å; E1530-K1534 PolarHBondContact O-N 2.94Å; E1530-K1534 VanDerWaalsContact OE1-CE 3.28Å; E1530-K1534 WeakPolarHBondContact OE1-CE 3.31Å; E1530-K1534 IonicContact OE1-NZ 3.33Å; E1530-K1534 PolarHBondContact OE1-NZ 3.01Å; T1531-K1534 PolarHBondContact O-N 2.99Å; K1534-S1538 WeakPolarHBondContact O-CA 3.42Å; K1534-S1538 VanDerWaalsContact O-CB 3.26Å; K1534-S1538 WeakPolarHBondContact O-CB 3.29Å; K1534-S1538 PolarHBondContact O-N 3.09Å
1535	N	57.8	Low	53.6	Low	85.8 Å²	85.8	67.6 Å²	67.6	46%	0.459	39%	0.388	S	S	.	.	H	α-helix	trans	-67.8	-40.7	176.4	-69.6	-0.6	0	0	0	112.1	T1531 T1532 L1533 S1538 N1539 V1570	T1531-N1535 VanDerWaalsContact O-CB 3.3Å; T1531-N1535 WeakPolarHBondContact O-CB 3.3Å; T1531-N1535 VanDerWaalsContact O-CG 3.23Å; T1531-N1535 PolarHBondContact O-N 2.88Å; T1531-N1535 PolarHBondContact O-ND2 3.38Å; T1531-N1535 PolarHBondContact O-OD1 2.96Å; T1532-N1535 PolarHBondContact O-N 3.12Å; L1533-N1535 VanDerWaalsContact C-N 3.33Å; L1533-N1535 PolarHBondContact O-N 3.4Å; N1535-S1538 WeakPolarHBondContact O-CB 3.46Å; N1535-S1538 PolarHBondContact O-N 2.96Å; N1535-N1539 VanDerWaalsContact O-CB 3.28Å; N1535-N1539 WeakPolarHBondContact O-CB 3.33Å; N1535-N1539 VanDerWaalsContact O-CG 3.31Å; N1535-N1539 PolarHBondContact O-N 3.21Å; N1535-N1539 PolarHBondContact O-ND2 3.22Å; N1535-N1539 VanDerWaalsContact O-ND2 3.12Å; N1535-N1539 PolarHBondContact O-OD1 3.09Å; N1535-N1539 VanDerWaalsContact O-OD1 3.09Å; N1535-V1570 HydrophobicContact CB-CG2 4.07Å
1536	L	57.4	Low	53.6	Low	35.4 Å²	35.4	68.3 Å²	68.3	19%	0.185	39%	0.39	C	S	.	.	H	α-helix	trans	-63.4	-48.2	177.3	-177.4	69.9	0	0	0	111.4	T1532 L1533 S1538 N1539 L1540 C1548 L1550 V1570 L1706 L1710	T1532-L1536 WeakPolarHBondContact O-CB 3.33Å; T1532-L1536 PolarHBondContact O-N 3.03Å; L1533-L1536 HydrophobicContact CD2-CD2 4.2Å; L1533-L1536 PolarHBondContact O-N 3.13Å; L1536-S1538 VanDerWaalsContact C-N 3.35Å; L1536-S1538 PolarHBondContact O-N 2.91Å; L1536-N1539 PolarHBondContact O-N 2.92Å; L1536-L1540 HydrophobicContact CD1-CD1 4.05Å; L1536-L1540 HydrophobicContact CD1-CG 4.21Å; L1536-L1540 HydrophobicContact CD2-CD1 4.32Å; L1536-L1540 HydrophobicContact CG-CD1 3.97Å; L1536-L1540 HydrophobicContact CG-CG 4.48Å; L1536-L1540 VanDerWaalsContact O-CB 3.31Å; L1536-L1540 WeakPolarHBondContact O-CB 3.32Å; L1536-L1540 WeakPolarHBondContact O-CD1 3.32Å; L1536-L1540 VanDerWaalsContact O-CG 3.25Å; L1536-L1540 WeakPolarHBondContact O-CG 3.35Å; L1536-L1540 PolarHBondContact O-N 3.19Å; L1536-C1548 VanDerWaalsContact CD1-SG 3.54Å; L1536-C1548 WeakPolarHBondContact CD1-SG 3.49Å; L1536-L1550 HydrophobicContact CD1-CD1 4.16Å; L1536-L1550 HydrophobicContact CD1-CD2 4.47Å; L1536-L1550 HydrophobicContact CD1-CG 4.11Å; L1536-L1550 HydrophobicContact CD2-CD1 4.18Å; L1536-L1550 HydrophobicContact CD2-CD2 4.46Å; L1536-L1550 HydrophobicContact CG-CD1 4.33Å; L1536-V1570 HydrophobicContact CB-CG2 4.38Å; L1536-V1570 HydrophobicContact CD1-CG1 4.47Å; L1536-L1706 HydrophobicContact CD2-CD1 4.13Å; L1536-L1706 HydrophobicContact CD2-CD2 4.11Å; L1536-L1706 HydrophobicContact CD2-CG 4.31Å; L1536-L1710 HydrophobicContact CD2-CD1 3.69Å; L1536-L1710 HydrophobicContact CD2-CD2 4.08Å; L1536-L1710 HydrophobicContact CD2-CG 4.41Å
1537	V	58	Low	53.4	Low	51 Å²	51	67.1 Å²	67.1	31%	0.309	38%	0.384	S	S	.	.	H	α-helix	trans	-64.1	-42.6	176.3	172.6	0	0	0	0	110.5	L1533 N1539 L1540 C1541 V1695 L1698 L1706	L1533-V1537 HydrophobicContact CD2-CG2 4.04Å; L1533-V1537 HydrophobicContact CG-CG2 4.48Å; L1533-V1537 WeakPolarHBondContact O-CB 3.28Å; L1533-V1537 VanDerWaalsContact O-CG2 3.29Å; L1533-V1537 WeakPolarHBondContact O-CG2 3.34Å; L1533-V1537 PolarHBondContact O-N 3.19Å; V1537-N1539 VanDerWaalsContact C-N 3.33Å; V1537-N1539 PolarHBondContact O-N 3.14Å; V1537-L1540 CarbonylContact O-C 3.58Å; V1537-L1540 PolarHBondContact O-N 3.02Å; V1537-L1540 VanDerWaalsContact O-N 3.09Å; V1537-C1541 HydrophobicContact CG1-CB 4.49Å; V1537-C1541 VanDerWaalsContact O-CB 3.23Å; V1537-C1541 WeakPolarHBondContact O-CB 3.34Å; V1537-C1541 PolarHBondContact O-N 3.1Å; V1537-C1541 PolarHBondContact O-SG 2.98Å; V1537-C1541 VanDerWaalsContact O-SG 3.36Å; V1537-V1695 HydrophobicContact CG1-CG1 4.12Å; V1537-L1698 HydrophobicContact CG1-CD1 3.94Å; V1537-L1698 HydrophobicContact CG2-CD1 4.11Å; V1537-L1706 HydrophobicContact CG2-CD2 4.42Å
1538	S	57.6	Low	53.1	Low	60.8 Å²	60.8	64.7 Å²	64.7	43%	0.425	36%	0.363	S	S	.	.	H	α-helix	trans	-59.1	-43.7	174.6	-172.9	0	0	0	0	112.3	K1534 N1535 L1536 L1540 C1541 S1542	K1534-S1538 WeakPolarHBondContact O-CA 3.42Å; K1534-S1538 VanDerWaalsContact O-CB 3.26Å; K1534-S1538 WeakPolarHBondContact O-CB 3.29Å; K1534-S1538 PolarHBondContact O-N 3.09Å; N1535-S1538 WeakPolarHBondContact O-CB 3.46Å; N1535-S1538 PolarHBondContact O-N 2.96Å; L1536-S1538 VanDerWaalsContact C-N 3.35Å; L1536-S1538 PolarHBondContact O-N 2.91Å; S1538-L1540 VanDerWaalsContact C-N 3.3Å; S1538-L1540 PolarHBondContact O-N 3.35Å; S1538-C1541 PolarHBondContact O-N 3.2Å; S1538-S1542 VanDerWaalsContact CA-OG 3.29Å; S1538-S1542 WeakPolarHBondContact CA-OG 3.42Å; S1538-S1542 WeakPolarHBondContact CB-OG 3.41Å; S1538-S1542 WeakPolarHBondContact O-CA 3.42Å; S1538-S1542 VanDerWaalsContact O-CB 3.3Å; S1538-S1542 WeakPolarHBondContact O-CB 3.29Å; S1538-S1542 PolarHBondContact O-N 3.11Å; S1538-S1542 PolarHBondContact O-OG 3.01Å; S1538-S1542 VanDerWaalsContact O-OG 3.11Å; S1538-S1542 PolarHBondContact OG-OG 3.35Å
1539	N	53	Low	53	Low	68.6 Å²	68.6	60.5 Å²	60.5	37%	0.367	35%	0.349	S	S	.	.	H	α-helix	trans	-69.4	-39.5	178.4	-72.5	3	0	0	0	112	N1535 L1536 V1537 C1541 S1542 N1543 D1572	N1535-N1539 VanDerWaalsContact O-CB 3.28Å; N1535-N1539 WeakPolarHBondContact O-CB 3.33Å; N1535-N1539 VanDerWaalsContact O-CG 3.31Å; N1535-N1539 PolarHBondContact O-N 3.21Å; N1535-N1539 PolarHBondContact O-ND2 3.22Å; N1535-N1539 VanDerWaalsContact O-ND2 3.12Å; N1535-N1539 PolarHBondContact O-OD1 3.09Å; N1535-N1539 VanDerWaalsContact O-OD1 3.09Å; L1536-N1539 PolarHBondContact O-N 2.92Å; V1537-N1539 VanDerWaalsContact C-N 3.33Å; V1537-N1539 PolarHBondContact O-N 3.14Å; N1539-C1541 VanDerWaalsContact C-N 3.31Å; N1539-C1541 PolarHBondContact O-N 3.16Å; N1539-S1542 PolarHBondContact O-N 3.3Å; N1539-S1542 PolarHBondContact O-OG 3.02Å; N1539-N1543 PolarHBondContact O-N 3.03Å; N1539-N1543 VanDerWaalsContact O-N 3.08Å; N1539-D1572 PolarHBondContact ND2-OD1 2.82Å; N1539-D1572 VanDerWaalsContact ND2-OD1 3.09Å; N1539-D1572 PolarHBondContact ND2-OD2 2.84Å
1540	L	53.9	Low	52.7	Low	46.6 Å²	46.6	59.6 Å²	59.6	24%	0.244	34%	0.344	C	S	.	.	H	α-helix	trans	-66.9	-38.5	175.9	-71.4	170.1	0	0	0	112.3	L1536 V1537 S1538 S1542 N1543 P1544 M1578 A1650 I1691 L1706	L1536-L1540 HydrophobicContact CD1-CD1 4.05Å; L1536-L1540 HydrophobicContact CD1-CG 4.21Å; L1536-L1540 HydrophobicContact CD2-CD1 4.32Å; L1536-L1540 HydrophobicContact CG-CD1 3.97Å; L1536-L1540 HydrophobicContact CG-CG 4.48Å; L1536-L1540 VanDerWaalsContact O-CB 3.31Å; L1536-L1540 WeakPolarHBondContact O-CB 3.32Å; L1536-L1540 WeakPolarHBondContact O-CD1 3.32Å; L1536-L1540 VanDerWaalsContact O-CG 3.25Å; L1536-L1540 WeakPolarHBondContact O-CG 3.35Å; L1536-L1540 PolarHBondContact O-N 3.19Å; V1537-L1540 CarbonylContact O-C 3.58Å; V1537-L1540 PolarHBondContact O-N 3.02Å; V1537-L1540 VanDerWaalsContact O-N 3.09Å; S1538-L1540 VanDerWaalsContact C-N 3.3Å; S1538-L1540 PolarHBondContact O-N 3.35Å; L1540-S1542 VanDerWaalsContact C-N 3.3Å; L1540-S1542 PolarHBondContact O-N 3.13Å; L1540-N1543 PolarHBondContact O-N 3.36Å; L1540-P1544 VanDerWaalsContact O-CA 3.29Å; L1540-P1544 WeakPolarHBondContact O-CA 3.27Å; L1540-M1578 HydrophobicContact CD2-SD 4.2Å; L1540-A1650 HydrophobicContact CD2-CB 4.33Å; L1540-I1691 HydrophobicContact CD1-CD1 4.06Å; L1540-I1691 HydrophobicContact CD1-CG1 4.33Å; L1540-I1691 HydrophobicContact CD2-CD1 3.7Å; L1540-I1691 HydrophobicContact CD2-CG1 4.34Å; L1540-I1691 HydrophobicContact CD2-CG2 4.03Å; L1540-L1706 HydrophobicContact CD1-CD2 3.87Å
1541	C	52.8	Low	52.4	Low	74.4 Å²	74.4	58.1 Å²	58.1	50%	0.503	34%	0.338	S	S	.	.	H	α-helix	trans	-83.8	-21.4	-179.7	-64.7	0	0	0	0	113.9	V1537 S1538 N1539 N1543 V1695	V1537-C1541 HydrophobicContact CG1-CB 4.49Å; V1537-C1541 VanDerWaalsContact O-CB 3.23Å; V1537-C1541 WeakPolarHBondContact O-CB 3.34Å; V1537-C1541 PolarHBondContact O-N 3.1Å; V1537-C1541 PolarHBondContact O-SG 2.98Å; V1537-C1541 VanDerWaalsContact O-SG 3.36Å; S1538-C1541 PolarHBondContact O-N 3.2Å; N1539-C1541 VanDerWaalsContact C-N 3.31Å; N1539-C1541 PolarHBondContact O-N 3.16Å; C1541-N1543 PolarHBondContact O-N 2.8Å; C1541-V1695 HydrophobicContact CB-CB 4.15Å; C1541-V1695 HydrophobicContact CB-CG1 3.49Å; C1541-V1695 VanDerWaalsContact CB-CG1 3.49Å; C1541-V1695 HydrophobicContact CB-CG2 3.67Å
1542	S	54.6	Low	51.9	Low	73.6 Å²	73.6	55.7 Å²	55.7	52%	0.515	32%	0.324	S	S	.	.	H	α-helix	trans	-89.3	-25.8	179.6	-43.4	0	0	0	0	113.6	S1538 N1539 L1540	S1538-S1542 VanDerWaalsContact CA-OG 3.29Å; S1538-S1542 WeakPolarHBondContact CA-OG 3.42Å; S1538-S1542 WeakPolarHBondContact CB-OG 3.41Å; S1538-S1542 WeakPolarHBondContact O-CA 3.42Å; S1538-S1542 VanDerWaalsContact O-CB 3.3Å; S1538-S1542 WeakPolarHBondContact O-CB 3.29Å; S1538-S1542 PolarHBondContact O-N 3.11Å; S1538-S1542 PolarHBondContact O-OG 3.01Å; S1538-S1542 VanDerWaalsContact O-OG 3.11Å; S1538-S1542 PolarHBondContact OG-OG 3.35Å; N1539-S1542 PolarHBondContact O-N 3.3Å; N1539-S1542 PolarHBondContact O-OG 3.02Å; L1540-S1542 VanDerWaalsContact C-N 3.3Å; L1540-S1542 PolarHBondContact O-N 3.13Å
1543	N	49.5	Very low	51.4	Low	100 Å²	100	57.3 Å²	57.3	54%	0.535	33%	0.334	S	S	.	.			trans	-146.9	82.6	179.2	-81.1	-60.2	0	0	0	110.6	N1539 L1540 C1541 S1545 H1546	N1539-N1543 PolarHBondContact O-N 3.03Å; N1539-N1543 VanDerWaalsContact O-N 3.08Å; L1540-N1543 PolarHBondContact O-N 3.36Å; C1541-N1543 PolarHBondContact O-N 2.8Å; N1543-S1545 PolarHBondContact O-N 3.3Å; N1543-S1545 VanDerWaalsContact O-N 3.14Å; N1543-H1546 HydrophobicContact CB-CB 4.1Å; N1543-H1546 WeakPolarHBondContact O-CB 3.41Å; N1543-H1546 PolarHBondContact O-N 3.3Å; N1543-H1546 VanDerWaalsContact O-N 3.07Å
1544	P	47.5	Very low	50.6	Low	84.8 Å²	84.8	59.6 Å²	59.6	55%	0.551	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-7.7	-178.5	16.9	-22.4	0	0	0	113.8	L1540 H1546 V1695	L1540-P1544 VanDerWaalsContact O-CA 3.29Å; L1540-P1544 WeakPolarHBondContact O-CA 3.27Å; P1544-H1546 VanDerWaalsContact C-N 3.25Å; P1544-V1695 HydrophobicContact CB-CB 3.57Å; P1544-V1695 HydrophobicContact CB-CG1 3.74Å; P1544-V1695 HydrophobicContact CB-CG2 3.44Å; P1544-V1695 VanDerWaalsContact CB-CG2 3.44Å; P1544-V1695 HydrophobicContact CG-CB 3.97Å; P1544-V1695 HydrophobicContact CG-CG1 4.38Å; P1544-V1695 HydrophobicContact CG-CG2 3.74Å
1545	S	43.4	Very low	49.6	Very low	80 Å²	80	59.7 Å²	59.7	56%	0.559	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	13	176.1	49.8	0	0	0	0	113.8	N1543 D1633	N1543-S1545 PolarHBondContact O-N 3.3Å; N1543-S1545 VanDerWaalsContact O-N 3.14Å; S1545-D1633 WeakPolarHBondContact CA-OD1 3.38Å; S1545-D1633 WeakPolarHBondContact CB-OD1 3Å
1546	H	46.9	Very low	48.6	Very low	66.4 Å²	66.4	58.5 Å²	58.5	31%	0.307	35%	0.347	S	S	.	.			trans	-91.3	128.1	-178	-79.8	-82.8	0	0	0	113.9	N1543 P1544 C1548 I1573 D1575 P1631 Q1632 D1633 S1634	N1543-H1546 HydrophobicContact CB-CB 4.1Å; N1543-H1546 WeakPolarHBondContact O-CB 3.41Å; N1543-H1546 PolarHBondContact O-N 3.3Å; N1543-H1546 VanDerWaalsContact O-N 3.07Å; P1544-H1546 VanDerWaalsContact C-N 3.25Å; H1546-C1548 PolarHBondContact O-N 3.01Å; H1546-I1573 PolarHBondContact CE1-O 2.99Å; H1546-I1573 PolarHBondContact ND1-O 2.83Å; H1546-D1575 IonicContact CD2-OD1 2.68Å; H1546-D1575 IonicContact CE1-OD1 3.47Å; H1546-D1575 PolarHBondContact CE1-OD1 3.24Å; H1546-D1575 IonicContact CE1-OD2 3.32Å; H1546-D1575 PolarHBondContact CE1-OD2 2.92Å; H1546-D1575 IonicContact ND1-OD1 2.91Å; H1546-D1575 PolarHBondContact ND1-OD1 3.05Å; H1546-D1575 IonicContact NE2-OD1 3.17Å; H1546-D1575 PolarHBondContact NE2-OD1 2.91Å; H1546-P1631 PolarHBondContact CE1-O 2.65Å; H1546-Q1632 VanDerWaalsContact CE1-CA 3.46Å; H1546-Q1632 WeakPolarHBondContact CE1-CA 3.5Å; H1546-D1633 PolarHBondContact CE1-N 2.9Å; H1546-S1634 WeakPolarHBondContact CB-O 3.48Å; H1546-S1634 PolarHBondContact ND1-N 3.48Å; H1546-S1634 PolarHBondContact ND1-O 3.13Å
1547	A	46.5	Very low	47.4	Very low	17.2 Å²	17.2	62.8 Å²	62.8	14%	0.142	37%	0.37	C	S	.	.			trans	-81.4	114.5	173.1	0	0	0	0	0	111.1	V1549 I1573 H1577 M1578 A1635 L1647	A1547-V1549 PolarHBondContact O-N 3.33Å; A1547-V1549 VanDerWaalsContact O-N 3.16Å; A1547-I1573 HydrophobicContact CB-CB 4.01Å; A1547-I1573 HydrophobicContact CB-CD1 3.73Å; A1547-I1573 VanDerWaalsContact CB-CD1 3.43Å; A1547-I1573 HydrophobicContact CB-CG1 4.35Å; A1547-I1573 HydrophobicContact CB-CG2 3.3Å; A1547-I1573 WeakPolarHBondContact O-CB 3.46Å; A1547-I1573 VanDerWaalsContact O-CD1 3.27Å; A1547-I1573 WeakPolarHBondContact O-CD1 3.36Å; A1547-I1573 VanDerWaalsContact O-CG1 3.24Å; A1547-I1573 WeakPolarHBondContact O-CG1 3.42Å; A1547-I1573 PolarHBondContact O-N 3.25Å; A1547-I1573 VanDerWaalsContact O-N 3.11Å; A1547-H1577 WeakPolarHBondContact CA-O 3.3Å; A1547-H1577 WeakPolarHBondContact CB-O 3.41Å; A1547-M1578 HydrophobicContact CB-CE 4.03Å; A1547-A1635 VanDerWaalsContact C-CB 3.47Å; A1547-A1635 WeakPolarHBondContact O-CB 3.39Å; A1547-L1647 HydrophobicContact CB-CB 4.47Å
1548	C	47.4	Very low	46.3	Very low	13.2 Å²	13.2	67.5 Å²	67.5	9%	0.089	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134	175.3	105.5	0	0	0	0	111.8	L1536 H1546 L1550 V1570 V1571 D1572 F1579 L1636 A1650 A1651	L1536-C1548 VanDerWaalsContact CD1-SG 3.54Å; L1536-C1548 WeakPolarHBondContact CD1-SG 3.49Å; H1546-C1548 PolarHBondContact O-N 3.01Å; C1548-L1550 PolarHBondContact O-N 3.26Å; C1548-L1550 VanDerWaalsContact O-N 3.14Å; C1548-L1550 WeakPolarHBondContact SG-CD1 3.47Å; C1548-V1570 HydrophobicContact CB-CG1 4.06Å; C1548-V1571 CarbonylContact C-O 3.55Å; C1548-V1571 WeakPolarHBondContact CA-O 3.12Å; C1548-D1572 WeakPolarHBondContact CB-OD1 3.38Å; C1548-F1579 PolarHBondContact O-N 3.27Å; C1548-L1636 CarbonylContact C-O 3.59Å; C1548-L1636 PolarHBondContact SG-O 3.39Å; C1548-A1650 WeakPolarHBondContact O-CA 3.37Å; C1548-A1651 PolarHBondContact O-N 3.16Å
1549	V	48.7	Very low	45.3	Very low	21.4 Å²	21.4	72.3 Å²	72.3	13%	0.13	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.1	176.8	-177.9	0	0	0	0	109.5	A1547 I1551 V1570 V1571 I1573 F1579 L1599 L1636 V1637 L1647 A1651 V1653	A1547-V1549 PolarHBondContact O-N 3.33Å; A1547-V1549 VanDerWaalsContact O-N 3.16Å; V1549-I1551 HydrophobicContact CG1-CD1 4.04Å; V1549-I1551 HydrophobicContact CG1-CG1 3.99Å; V1549-V1570 HydrophobicContact CG1-CG2 4.32Å; V1549-V1570 HydrophobicContact CG2-CG1 4.31Å; V1549-V1571 HydrophobicContact CB-CB 4.45Å; V1549-V1571 PolarHBondContact N-O 2.85Å; V1549-V1571 PolarHBondContact O-N 3.2Å; V1549-I1573 HydrophobicContact CG2-CD1 3.61Å; V1549-I1573 HydrophobicContact CG2-CG1 4.03Å; V1549-F1579 HydrophobicContact CG1-CB 4.25Å; V1549-F1579 HydrophobicContact CG2-CD1 4.36Å; V1549-F1579 HydrophobicContact CG2-CE1 4.48Å; V1549-L1599 HydrophobicContact CG1-CD1 3.77Å; V1549-L1636 PolarHBondContact N-O 3.17Å; V1549-L1636 VanDerWaalsContact N-O 3.09Å; V1549-V1637 WeakPolarHBondContact O-CG1 3.31Å; V1549-V1637 WeakPolarHBondContact O-CG2 3.5Å; V1549-L1647 HydrophobicContact CG2-CD1 3.99Å; V1549-A1651 WeakPolarHBondContact CA-O 3.38Å; V1549-V1653 HydrophobicContact CG1-CB 4.13Å; V1549-V1653 HydrophobicContact CG1-CG2 3.97Å
1550	L	47.2	Very low	44.2	Very low	17.4 Å²	17.4	72.6 Å²	72.6	9%	0.091	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	107.9	176.4	-69.2	170.5	0	0	0	110.9	T1532 L1536 C1548 P1552 V1568 Q1569 V1570 F1579 V1580 G1581 L1599 L1638 A1651 L1652 V1653 L1689 L1710	T1532-L1550 HydrophobicContact CG2-CD2 4.18Å; L1536-L1550 HydrophobicContact CD1-CD1 4.16Å; L1536-L1550 HydrophobicContact CD1-CD2 4.47Å; L1536-L1550 HydrophobicContact CD1-CG 4.11Å; L1536-L1550 HydrophobicContact CD2-CD1 4.18Å; L1536-L1550 HydrophobicContact CD2-CD2 4.46Å; L1536-L1550 HydrophobicContact CG-CD1 4.33Å; C1548-L1550 PolarHBondContact O-N 3.26Å; C1548-L1550 VanDerWaalsContact O-N 3.14Å; C1548-L1550 WeakPolarHBondContact SG-CD1 3.47Å; L1550-P1552 VanDerWaalsContact O-CD 3.28Å; L1550-P1552 WeakPolarHBondContact O-CD 3.42Å; L1550-V1568 HydrophobicContact CB-CG1 3.87Å; L1550-V1568 HydrophobicContact CD2-CG1 4.02Å; L1550-V1568 HydrophobicContact CG-CG1 4.48Å; L1550-Q1569 CarbonylContact C-O 3.59Å; L1550-Q1569 WeakPolarHBondContact CA-O 3.44Å; L1550-V1570 HydrophobicContact CD2-CB 4.3Å; L1550-V1570 HydrophobicContact CD2-CG1 4.31Å; L1550-V1570 HydrophobicContact CD2-CG2 3.85Å; L1550-F1579 HydrophobicContact CB-CD2 3.92Å; L1550-F1579 HydrophobicContact CB-CE2 3.74Å; L1550-F1579 HydrophobicContact CD1-CD2 3.53Å; L1550-F1579 HydrophobicContact CD1-CE2 3.81Å; L1550-F1579 HydrophobicContact CG-CD2 4.34Å; L1550-F1579 HydrophobicContact CG-CE2 4.36Å; L1550-F1579 PolarHBondContact N-O 2.98Å; L1550-F1579 VanDerWaalsContact N-O 3.1Å; L1550-V1580 CarbonylContact O-C 3.51Å; L1550-V1580 VanDerWaalsContact O-C 3.24Å; L1550-V1580 VanDerWaalsContact O-O 3.07Å; L1550-G1581 WeakPolarHBondContact O-CA 3.15Å; L1550-G1581 PolarHBondContact O-N 3.28Å; L1550-L1599 HydrophobicContact CD1-CD2 4.01Å; L1550-L1638 HydrophobicContact CD2-CB 3.26Å; L1550-L1638 VanDerWaalsContact CD2-N 3.27Å; L1550-A1651 PolarHBondContact N-O 2.89Å; L1550-L1652 HydrophobicContact CB-CB 4.41Å; L1550-L1652 HydrophobicContact CB-CD1 3.65Å; L1550-L1652 HydrophobicContact CD1-CB 4.32Å; L1550-L1652 HydrophobicContact CD1-CD1 4.23Å; L1550-V1653 PolarHBondContact O-N 2.61Å; L1550-V1653 VanDerWaalsContact O-O 3.13Å; L1550-L1689 HydrophobicContact CD1-CD1 3.81Å; L1550-L1689 HydrophobicContact CD1-CD2 4.21Å; L1550-L1689 HydrophobicContact CD1-CG 4.5Å; L1550-L1689 HydrophobicContact CG-CD1 4.37Å; L1550-L1710 HydrophobicContact CD1-CD2 3.6Å
1551	I	48.8	Very low	43.2	Very low	43 Å²	43	74.7 Å²	74.7	22%	0.221	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	102.5	177.2	-33	170.9	0	0	0	111.8	V1549 T1553 V1568 Q1569 V1571 L1599 V1653 P1655	V1549-I1551 HydrophobicContact CG1-CD1 4.04Å; V1549-I1551 HydrophobicContact CG1-CG1 3.99Å; I1551-T1553 VanDerWaalsContact C-N 3.31Å; I1551-T1553 HydrophobicContact CG2-CG2 4.19Å; I1551-T1553 PolarHBondContact O-N 3.32Å; I1551-V1568 CarbonylContact O-C 3.49Å; I1551-V1568 VanDerWaalsContact O-CA 3.31Å; I1551-V1568 WeakPolarHBondContact O-CA 3.39Å; I1551-Q1569 VanDerWaalsContact CA-O 3.3Å; I1551-Q1569 WeakPolarHBondContact CA-O 3.43Å; I1551-Q1569 HydrophobicContact CB-CB 4.43Å; I1551-Q1569 PolarHBondContact N-O 3.11Å; I1551-Q1569 PolarHBondContact O-N 3.04Å; I1551-V1571 HydrophobicContact CD1-CG2 3.82Å; I1551-V1571 HydrophobicContact CG1-CG2 4.36Å; I1551-L1599 HydrophobicContact CD1-CD1 3.63Å; I1551-L1599 HydrophobicContact CD1-CG 4.27Å; I1551-L1599 HydrophobicContact CG1-CD1 4.04Å; I1551-V1653 HydrophobicContact CD1-CB 4.09Å; I1551-V1653 HydrophobicContact CD1-CG1 3.84Å; I1551-V1653 HydrophobicContact CG1-CG1 4.49Å; I1551-P1655 HydrophobicContact CG2-CG 4.12Å
1552	P	45	Very low	42.3	Very low	36.8 Å²	36.8	78.6 Å²	78.6	24%	0.239	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	110.5	171.9	10.8	-6.8	0	0	0	110.6	L1550 L1554 C1565 V1568 G1581 P1583 V1653 V1654 P1655	L1550-P1552 VanDerWaalsContact O-CD 3.28Å; L1550-P1552 WeakPolarHBondContact O-CD 3.42Å; P1552-L1554 PolarHBondContact O-N 3.22Å; P1552-C1565 WeakPolarHBondContact CB-SG 3.47Å; P1552-V1568 HydrophobicContact CB-CG2 4.4Å; P1552-G1581 VanDerWaalsContact CD-O 3.26Å; P1552-G1581 WeakPolarHBondContact CD-O 3.48Å; P1552-P1583 HydrophobicContact CB-CB 4.12Å; P1552-P1583 HydrophobicContact CB-CG 4.15Å; P1552-P1583 HydrophobicContact CG-CB 4.49Å; P1552-P1583 HydrophobicContact CG-CG 4.25Å; P1552-V1653 VanDerWaalsContact CD-O 3.23Å; P1552-V1653 WeakPolarHBondContact CD-O 3.45Å; P1552-V1654 HydrophobicContact CG-CG1 4.36Å; P1552-P1655 VanDerWaalsContact CD-CD 3.48Å; P1552-P1655 HydrophobicContact CG-CG 4.44Å
1553	T	44.3	Very low	41.5	Very low	68.4 Å²	68.4	81.2 Å²	81.2	42%	0.42	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	123.3	174.3	51.9	0	0	0	0	110.1	I1551 E1555 C1565 S1566 G1567 Q1569 P1655	I1551-T1553 VanDerWaalsContact C-N 3.31Å; I1551-T1553 HydrophobicContact CG2-CG2 4.19Å; I1551-T1553 PolarHBondContact O-N 3.32Å; T1553-E1555 PolarHBondContact O-N 3.44Å; T1553-E1555 VanDerWaalsContact O-N 3.1Å; T1553-C1565 CarbonylContact O-C 3.55Å; T1553-C1565 WeakPolarHBondContact O-CA 3.39Å; T1553-C1565 PolarHBondContact O-SG 3.15Å; T1553-S1566 PolarHBondContact O-N 3.02Å; T1553-G1567 PolarHBondContact N-O 3.06Å; T1553-G1567 VanDerWaalsContact OG1-C 3.26Å; T1553-G1567 WeakPolarHBondContact OG1-CA 3.33Å; T1553-G1567 PolarHBondContact OG1-N 2.94Å; T1553-G1567 PolarHBondContact OG1-O 2.99Å; T1553-Q1569 HydrophobicContact CG2-CB 4.28Å; T1553-P1655 HydrophobicContact CG2-CB 3.42Å; T1553-P1655 VanDerWaalsContact CG2-CB 3.42Å; T1553-P1655 HydrophobicContact CG2-CG 3.49Å; T1553-P1655 VanDerWaalsContact CG2-CG 3.49Å
1554	L	43.2	Very low	40.9	Very low	87.2 Å²	87.2	85.4 Å²	85.4	46%	0.457	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	112.5	179.2	-83.5	162.6	0	0	0	109.8	P1552 S1556 Y1563 R1564 C1565 P1583 P1655	P1552-L1554 PolarHBondContact O-N 3.22Å; L1554-S1556 PolarHBondContact O-N 2.64Å; L1554-S1556 VanDerWaalsContact O-N 3.08Å; L1554-Y1563 HydrophobicContact CD1-CD2 4.37Å; L1554-R1564 WeakPolarHBondContact CA-O 3.49Å; L1554-C1565 HydrophobicContact CD1-CB 4.4Å; L1554-P1583 HydrophobicContact CD1-CB 4.47Å; L1554-P1655 HydrophobicContact CD1-CB 4.42Å; L1554-P1655 HydrophobicContact CD1-CG 4.49Å
1555	E	38.3	Very low	40.6	Very low	122 Å²	122	83.6 Å²	83.6	57%	0.57	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.4	166.8	-94.8	-171	157.6	0	0	110.1	T1553 R1564 S1566 R1657	T1553-E1555 PolarHBondContact O-N 3.44Å; T1553-E1555 VanDerWaalsContact O-N 3.1Å; E1555-R1564 PolarHBondContact N-O 2.95Å; E1555-R1564 PolarHBondContact O-N 2.85Å; E1555-S1566 WeakPolarHBondContact CB-OG 3.39Å; E1555-S1566 VanDerWaalsContact OE1-CB 3.24Å; E1555-S1566 WeakPolarHBondContact OE1-CB 3.47Å; E1555-S1566 PolarHBondContact OE1-OG 3.34Å; E1555-S1566 WeakPolarHBondContact OE2-CB 3.33Å; E1555-S1566 PolarHBondContact OE2-OG 3.25Å; E1555-R1657 IonicContact OE1-CZ 2.59Å; E1555-R1657 IonicContact OE1-NE 2.74Å; E1555-R1657 IonicContact OE1-NH1 3.87Å; E1555-R1657 PolarHBondContact OE1-NH1 2.96Å; E1555-R1657 IonicContact OE1-NH2 3.76Å; E1555-R1657 PolarHBondContact OE1-NH2 2.94Å; E1555-R1657 WeakPolarHBondContact OE2-CD 3.33Å; E1555-R1657 VanDerWaalsContact OE2-CG 3.22Å; E1555-R1657 WeakPolarHBondContact OE2-CG 3.35Å; E1555-R1657 IonicContact OE2-CZ 2.94Å; E1555-R1657 IonicContact OE2-NE 2.69Å; E1555-R1657 IonicContact OE2-NH1 3.09Å
1556	S	35.8	Very low	40.6	Very low	60 Å²	60	82.5 Å²	82.5	42%	0.42	43%	0.431	S	S	.	.			trans	-107.4	91.6	173.2	76.1	0	0	0	0	110.2	L1554 E1558 R1593	L1554-S1556 PolarHBondContact O-N 2.64Å; L1554-S1556 VanDerWaalsContact O-N 3.08Å; S1556-E1558 PolarHBondContact O-N 3.12Å; S1556-E1558 VanDerWaalsContact O-N 3.08Å; S1556-R1593 WeakPolarHBondContact OG-CD 3.22Å
1557	N	33.1	Very low	40.5	Very low	125 Å²	125	80.4 Å²	80.4	67%	0.668	43%	0.428	S	S	*	.			trans	-75.2	94.5	172.2	-124.3	-24.2	0	0	0	109.9	I1559 S1560 R1593	N1557-I1559 VanDerWaalsContact C-N 3.26Å; N1557-I1559 PolarHBondContact O-N 2.93Å; N1557-I1559 VanDerWaalsContact O-N 3.14Å; N1557-S1560 PolarHBondContact O-N 3.26Å; N1557-S1560 VanDerWaalsContact O-N 3.14Å; N1557-R1593 PolarHBondContact O-NH1 3.36Å
1558	E	34.4	Very low	40.7	Very low	149.8 Å²	149.8	81.4 Å²	81.4	70%	0.7	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	26.9	-173.8	-77.8	-166.9	154.5	0	0	114	S1556 S1560 R1593	S1556-E1558 PolarHBondContact O-N 3.12Å; S1556-E1558 VanDerWaalsContact O-N 3.08Å; E1558-S1560 VanDerWaalsContact C-N 3.29Å; E1558-S1560 PolarHBondContact O-N 3.39Å; E1558-R1593 PolarHBondContact O-NH2 3.46Å; E1558-R1593 IonicContact OE1-CZ 3.18Å; E1558-R1593 VanDerWaalsContact OE1-CZ 3.24Å; E1558-R1593 IonicContact OE1-NE 2.84Å; E1558-R1593 PolarHBondContact OE1-NE 3.28Å; E1558-R1593 IonicContact OE1-NH1 2.84Å; E1558-R1593 IonicContact OE1-NH2 3.3Å; E1558-R1593 PolarHBondContact OE1-NH2 2.98Å; E1558-R1593 IonicContact OE2-CZ 3.91Å; E1558-R1593 IonicContact OE2-NH2 2.73Å; E1558-R1593 PolarHBondContact OE2-NH2 2.98Å
1559	I	36.2	Very low	40.9	Very low	163 Å²	163	85.6 Å²	85.6	84%	0.836	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	27.7	-173.2	-56.4	172.3	0	0	0	111.1	N1557	N1557-I1559 VanDerWaalsContact C-N 3.26Å; N1557-I1559 PolarHBondContact O-N 2.93Å; N1557-I1559 VanDerWaalsContact O-N 3.14Å
1560	S	31.1	Very low	41.2	Very low	74.6 Å²	74.6	86.1 Å²	86.1	52%	0.522	45%	0.454	S	S	.	.	S	Bend	trans	-161.7	151.9	175.7	78.9	0	0	0	0	114.7	N1557 E1558 F1562	N1557-S1560 PolarHBondContact O-N 3.26Å; N1557-S1560 VanDerWaalsContact O-N 3.14Å; E1558-S1560 VanDerWaalsContact C-N 3.29Å; E1558-S1560 PolarHBondContact O-N 3.39Å; S1560-F1562 PolarHBondContact O-N 3.03Å; S1560-F1562 VanDerWaalsContact O-N 3.14Å; S1560-F1562 PolarHBondContact OG-N 3.23Å
1561	S	33.7	Very low	41.5	Very low	91.2 Å²	91.2	88 Å²	88	64%	0.638	47%	0.465	S	S	*	.	S	Bend	trans	-29.4	53.5	179.9	63.2	0	0	0	0	115.4	Y1563	S1561-Y1563 WeakPolarHBondContact O-CD2 3.47Å; S1561-Y1563 PolarHBondContact O-N 3.22Å; S1561-Y1563 VanDerWaalsContact OG-CE2 3.27Å; S1561-Y1563 WeakPolarHBondContact OG-CE2 3.27Å
1562	F	33	Very low	41.8	Very low	154.8 Å²	154.8	89.6 Å²	89.6	68%	0.679	48%	0.475	S	S	*	.			trans	-101.6	95.7	-172.1	-66.4	-79.8	0	0	0	111.9	S1560 R1564	S1560-F1562 PolarHBondContact O-N 3.03Å; S1560-F1562 VanDerWaalsContact O-N 3.14Å; S1560-F1562 PolarHBondContact OG-N 3.23Å; F1562-R1564 PolarHBondContact O-N 2.87Å
1563	Y	37.3	Very low	42.3	Very low	128.2 Å²	128.2	89.1 Å²	89.1	50%	0.503	47%	0.47	S	S	.	.			trans	-77.1	123.6	167.3	-65.2	-74.9	0	0	0	111	L1554 S1561 C1565 R1657	L1554-Y1563 HydrophobicContact CD1-CD2 4.37Å; S1561-Y1563 WeakPolarHBondContact O-CD2 3.47Å; S1561-Y1563 PolarHBondContact O-N 3.22Å; S1561-Y1563 VanDerWaalsContact OG-CE2 3.27Å; S1561-Y1563 WeakPolarHBondContact OG-CE2 3.27Å; Y1563-C1565 PolarHBondContact O-N 3.28Å; Y1563-C1565 VanDerWaalsContact O-N 3.1Å; Y1563-R1657 VanDerWaalsContact CG-NH2 3.3Å; Y1563-R1657 VanDerWaalsContact CZ-NH2 3.26Å; Y1563-R1657 PolarHBondContact OH-NH2 3.26Å
1564	R	36.3	Very low	42.6	Very low	189 Å²	189	87.8 Å²	87.8	71%	0.713	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.4	171.6	-71	-169.6	-178.6	-165	2.7	109.7	E1207 L1554 E1555 F1562 S1566 L1594	E1207-R1564 IonicContact OE1-NH1 2.59Å; E1207-R1564 PolarHBondContact OE1-NH1 2.99Å; L1554-R1564 WeakPolarHBondContact CA-O 3.49Å; E1555-R1564 PolarHBondContact N-O 2.95Å; E1555-R1564 PolarHBondContact O-N 2.85Å; F1562-R1564 PolarHBondContact O-N 2.87Å; R1564-S1566 PolarHBondContact O-N 2.78Å; R1564-L1594 HydrophobicContact CB-CD2 4.1Å
1565	C	41.5	Very low	43	Very low	46 Å²	46	88.9 Å²	88.9	31%	0.311	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	114.8	163.1	-122.6	0	0	0	0	108	Y1528 P1552 T1553 L1554 Y1563 G1567 L1594 P1714	Y1528-C1565 HydrophobicContact CE2-CB 4.31Å; P1552-C1565 WeakPolarHBondContact CB-SG 3.47Å; T1553-C1565 CarbonylContact O-C 3.55Å; T1553-C1565 WeakPolarHBondContact O-CA 3.39Å; T1553-C1565 PolarHBondContact O-SG 3.15Å; L1554-C1565 HydrophobicContact CD1-CB 4.4Å; Y1563-C1565 PolarHBondContact O-N 3.28Å; Y1563-C1565 VanDerWaalsContact O-N 3.1Å; C1565-G1567 PolarHBondContact O-N 3.12Å; C1565-G1567 PolarHBondContact SG-O 3.15Å; C1565-L1594 WeakPolarHBondContact O-CD1 3.37Å; C1565-L1594 WeakPolarHBondContact O-CD2 3.31Å; C1565-P1714 HydrophobicContact CB-CB 4.16Å; C1565-P1714 HydrophobicContact CB-CG 4.38Å
1566	S	43.9	Very low	43.5	Very low	57.4 Å²	57.4	85.3 Å²	85.3	40%	0.401	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	28.7	175	-97.5	0	0	0	0	111.1	Y1528 T1553 E1555 R1564 L1594 S1596	Y1528-S1566 VanDerWaalsContact CB-O 3.28Å; Y1528-S1566 WeakPolarHBondContact CB-O 3.31Å; T1553-S1566 PolarHBondContact O-N 3.02Å; E1555-S1566 WeakPolarHBondContact CB-OG 3.39Å; E1555-S1566 VanDerWaalsContact OE1-CB 3.24Å; E1555-S1566 WeakPolarHBondContact OE1-CB 3.47Å; E1555-S1566 PolarHBondContact OE1-OG 3.34Å; E1555-S1566 WeakPolarHBondContact OE2-CB 3.33Å; E1555-S1566 PolarHBondContact OE2-OG 3.25Å; R1564-S1566 PolarHBondContact O-N 2.78Å; S1566-L1594 WeakPolarHBondContact CB-O 3.42Å; S1566-L1594 PolarHBondContact OG-O 3.34Å; S1566-S1596 WeakPolarHBondContact CB-OG 3.12Å
1567	G	45	Very low	44.2	Very low	23.8 Å²	23.8	84.1 Å²	84.1	25%	0.245	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	167.8	177.9	0	0	0	0	0	111.7	T1553 C1565 Q1569 T1597	T1553-G1567 PolarHBondContact N-O 3.06Å; T1553-G1567 VanDerWaalsContact OG1-C 3.26Å; T1553-G1567 WeakPolarHBondContact OG1-CA 3.33Å; T1553-G1567 PolarHBondContact OG1-N 2.94Å; T1553-G1567 PolarHBondContact OG1-O 2.99Å; C1565-G1567 PolarHBondContact O-N 3.12Å; C1565-G1567 PolarHBondContact SG-O 3.15Å; G1567-Q1569 PolarHBondContact O-N 2.72Å; G1567-T1597 PolarHBondContact O-N 2.75Å
1568	V	49.6	Very low	44.9	Very low	36.4 Å²	36.4	80.7 Å²	80.7	22%	0.221	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.7	167.5	179.6	0	0	0	0	108.1	L1529 T1532 L1550 I1551 P1552 V1570 T1597 L1599 L1638	L1529-V1568 HydrophobicContact CD2-CB 4.32Å; L1529-V1568 HydrophobicContact CD2-CG2 3.86Å; T1532-V1568 HydrophobicContact CG2-CB 3.75Å; T1532-V1568 HydrophobicContact CG2-CG1 3.92Å; T1532-V1568 HydrophobicContact CG2-CG2 4.48Å; T1532-V1568 PolarHBondContact OG1-N 3.12Å; T1532-V1568 PolarHBondContact OG1-O 3.06Å; L1550-V1568 HydrophobicContact CB-CG1 3.87Å; L1550-V1568 HydrophobicContact CD2-CG1 4.02Å; L1550-V1568 HydrophobicContact CG-CG1 4.48Å; I1551-V1568 CarbonylContact O-C 3.49Å; I1551-V1568 VanDerWaalsContact O-CA 3.31Å; I1551-V1568 WeakPolarHBondContact O-CA 3.39Å; P1552-V1568 HydrophobicContact CB-CG2 4.4Å; V1568-V1570 HydrophobicContact CG1-CG2 4.38Å; V1568-V1570 PolarHBondContact O-N 3.42Å; V1568-T1597 WeakPolarHBondContact CA-O 3.3Å; V1568-L1599 HydrophobicContact CG1-CB 4.44Å; V1568-L1638 HydrophobicContact CB-CD2 4.48Å; V1568-L1638 HydrophobicContact CG1-CD2 4.05Å; V1568-L1638 HydrophobicContact CG2-CD2 3.9Å
1569	Q	52.1	Low	45.8	Very low	103.2 Å²	103.2	74.6 Å²	74.6	48%	0.482	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	118.9	174.9	-174.8	175.4	1.3	0	0	109.5	L1550 I1551 T1553 G1567 V1571 T1597 L1598 L1599	L1550-Q1569 CarbonylContact C-O 3.59Å; L1550-Q1569 WeakPolarHBondContact CA-O 3.44Å; I1551-Q1569 VanDerWaalsContact CA-O 3.3Å; I1551-Q1569 WeakPolarHBondContact CA-O 3.43Å; I1551-Q1569 HydrophobicContact CB-CB 4.43Å; I1551-Q1569 PolarHBondContact N-O 3.11Å; I1551-Q1569 PolarHBondContact O-N 3.04Å; T1553-Q1569 HydrophobicContact CG2-CB 4.28Å; G1567-Q1569 PolarHBondContact O-N 2.72Å; Q1569-V1571 HydrophobicContact CG-CG2 4.02Å; Q1569-T1597 PolarHBondContact N-O 2.89Å; Q1569-L1598 HydrophobicContact CB-CD2 3.94Å; Q1569-L1598 HydrophobicContact CG-CD2 4.02Å; Q1569-L1599 PolarHBondContact O-N 3.09Å
1570	V	55.3	Low	46.4	Very low	31.8 Å²	31.8	69.5 Å²	69.5	19%	0.193	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	128.1	167.2	-170.7	0	0	0	0	107.9	T1532 N1535 L1536 C1548 V1549 L1550 V1568 D1572 I1573 F1579 L1599	T1532-V1570 HydrophobicContact CG2-CG2 4.28Å; N1535-V1570 HydrophobicContact CB-CG2 4.07Å; L1536-V1570 HydrophobicContact CB-CG2 4.38Å; L1536-V1570 HydrophobicContact CD1-CG1 4.47Å; C1548-V1570 HydrophobicContact CB-CG1 4.06Å; V1549-V1570 HydrophobicContact CG1-CG2 4.32Å; V1549-V1570 HydrophobicContact CG2-CG1 4.31Å; L1550-V1570 HydrophobicContact CD2-CB 4.3Å; L1550-V1570 HydrophobicContact CD2-CG1 4.31Å; L1550-V1570 HydrophobicContact CD2-CG2 3.85Å; V1568-V1570 HydrophobicContact CG1-CG2 4.38Å; V1568-V1570 PolarHBondContact O-N 3.42Å; V1570-D1572 WeakPolarHBondContact CG1-O 3.45Å; V1570-I1573 HydrophobicContact CG1-CD1 4.22Å; V1570-I1573 HydrophobicContact CG1-CG1 3.63Å; V1570-I1573 VanDerWaalsContact CG1-CG1 3.49Å; V1570-F1579 HydrophobicContact CG2-CD1 4.49Å; V1570-F1579 HydrophobicContact CG2-CD2 3.78Å; V1570-F1579 HydrophobicContact CG2-CE1 4.14Å; V1570-F1579 HydrophobicContact CG2-CE2 3.39Å; V1570-F1579 HydrophobicContact CG2-CG 4.32Å; V1570-F1579 HydrophobicContact CG2-CZ 3.58Å; V1570-L1599 WeakPolarHBondContact CA-O 3.35Å; V1570-L1599 HydrophobicContact CG2-CD2 4.5Å
1571	V	54.6	Low	47	Very low	55.8 Å²	55.8	66.6 Å²	66.6	34%	0.338	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	70.4	176.5	-178.1	0	0	0	0	109.6	C1548 V1549 I1551 Q1569 F1579 L1598 L1599	C1548-V1571 CarbonylContact C-O 3.55Å; C1548-V1571 WeakPolarHBondContact CA-O 3.12Å; V1549-V1571 HydrophobicContact CB-CB 4.45Å; V1549-V1571 PolarHBondContact N-O 2.85Å; V1549-V1571 PolarHBondContact O-N 3.2Å; I1551-V1571 HydrophobicContact CD1-CG2 3.82Å; I1551-V1571 HydrophobicContact CG1-CG2 4.36Å; Q1569-V1571 HydrophobicContact CG-CG2 4.02Å; V1571-F1579 HydrophobicContact CG1-CE1 3.9Å; V1571-F1579 HydrophobicContact CG1-CZ 4Å; V1571-L1598 HydrophobicContact CG2-CD1 4.45Å; V1571-L1598 HydrophobicContact CG2-CD2 3.88Å; V1571-L1598 HydrophobicContact CG2-CG 3.97Å; V1571-L1599 WeakPolarHBondContact CB-O 3.44Å; V1571-L1599 PolarHBondContact N-O 3.1Å
1572	D	54.3	Low	47.3	Very low	77 Å²	77	66.3 Å²	66.3	41%	0.412	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	147.4	178	-92.3	-26.8	0	0	0	110	N1539 C1548 V1570 P1574 T1601	N1539-D1572 PolarHBondContact ND2-OD1 2.82Å; N1539-D1572 VanDerWaalsContact ND2-OD1 3.09Å; N1539-D1572 PolarHBondContact ND2-OD2 2.84Å; C1548-D1572 WeakPolarHBondContact CB-OD1 3.38Å; V1570-D1572 WeakPolarHBondContact CG1-O 3.45Å; D1572-P1574 WeakPolarHBondContact O-CD 3.39Å; D1572-T1601 HydrophobicContact CB-CG2 3.93Å; D1572-T1601 VanDerWaalsContact OD2-CB 3.31Å; D1572-T1601 WeakPolarHBondContact OD2-CB 3.46Å; D1572-T1601 WeakPolarHBondContact OD2-CG2 3.43Å; D1572-T1601 PolarHBondContact OD2-OG1 3.41Å
1573	I	55.2	Low	47.7	Very low	27 Å²	27	62.4 Å²	62.4	14%	0.138	34%	0.343	C	S	.	.			trans	-106.7	117.2	177.6	-58.4	166.4	0	0	0	108.4	H1546 A1547 V1549 V1570 H1577 F1579 A1635 L1647	H1546-I1573 PolarHBondContact CE1-O 2.99Å; H1546-I1573 PolarHBondContact ND1-O 2.83Å; A1547-I1573 HydrophobicContact CB-CB 4.01Å; A1547-I1573 HydrophobicContact CB-CD1 3.73Å; A1547-I1573 VanDerWaalsContact CB-CD1 3.43Å; A1547-I1573 HydrophobicContact CB-CG1 4.35Å; A1547-I1573 HydrophobicContact CB-CG2 3.3Å; A1547-I1573 WeakPolarHBondContact O-CB 3.46Å; A1547-I1573 VanDerWaalsContact O-CD1 3.27Å; A1547-I1573 WeakPolarHBondContact O-CD1 3.36Å; A1547-I1573 VanDerWaalsContact O-CG1 3.24Å; A1547-I1573 WeakPolarHBondContact O-CG1 3.42Å; A1547-I1573 PolarHBondContact O-N 3.25Å; A1547-I1573 VanDerWaalsContact O-N 3.11Å; V1549-I1573 HydrophobicContact CG2-CD1 3.61Å; V1549-I1573 HydrophobicContact CG2-CG1 4.03Å; V1570-I1573 HydrophobicContact CG1-CD1 4.22Å; V1570-I1573 HydrophobicContact CG1-CG1 3.63Å; V1570-I1573 VanDerWaalsContact CG1-CG1 3.49Å; I1573-H1577 HydrophobicContact CG2-CB 4.35Å; I1573-H1577 VanDerWaalsContact CG2-O 3.26Å; I1573-H1577 WeakPolarHBondContact CG2-O 3.36Å; I1573-F1579 HydrophobicContact CB-CD2 4.41Å; I1573-F1579 HydrophobicContact CB-CE2 4.05Å; I1573-F1579 HydrophobicContact CB-CZ 4.35Å; I1573-F1579 HydrophobicContact CD1-CB 3.66Å; I1573-F1579 HydrophobicContact CD1-CD2 4.48Å; I1573-F1579 HydrophobicContact CD1-CG 4.4Å; I1573-F1579 HydrophobicContact CG1-CB 4.34Å; I1573-F1579 HydrophobicContact CG1-CD2 4.1Å; I1573-F1579 HydrophobicContact CG1-CE1 4.45Å; I1573-F1579 HydrophobicContact CG1-CE2 3.64Å; I1573-F1579 VanDerWaalsContact CG1-CE2 3.48Å; I1573-F1579 HydrophobicContact CG1-CG 4.44Å; I1573-F1579 HydrophobicContact CG1-CZ 4.12Å; I1573-F1579 HydrophobicContact CG2-CD2 3.98Å; I1573-F1579 HydrophobicContact CG2-CE2 3.91Å; I1573-A1635 HydrophobicContact CB-CB 4.49Å; I1573-A1635 HydrophobicContact CD1-CB 3.34Å; I1573-A1635 HydrophobicContact CG1-CB 4.05Å; I1573-A1635 HydrophobicContact CG2-CB 3.89Å; I1573-L1647 HydrophobicContact CD1-CD1 4.37Å
1574	P	51.7	Low	47.7	Very low	40.2 Å²	40.2	58.7 Å²	58.7	26%	0.261	34%	0.344	S	S	.	.			trans	-68.6	146	175.4	-6.9	17.5	0	0	0	111.6	D1572 G1576 H1577 T1601 K1608 F1610	D1572-P1574 WeakPolarHBondContact O-CD 3.39Å; P1574-G1576 PolarHBondContact O-N 2.87Å; P1574-H1577 HydrophobicContact CB-CB 4.43Å; P1574-H1577 HydrophobicContact CG-CB 4.28Å; P1574-H1577 VanDerWaalsContact O-CB 3.27Å; P1574-H1577 WeakPolarHBondContact O-CB 3.34Å; P1574-H1577 PolarHBondContact O-N 3.26Å; P1574-H1577 VanDerWaalsContact O-N 3.09Å; P1574-H1577 PolarHBondContact O-ND1 3.04Å; P1574-H1577 VanDerWaalsContact O-ND1 3.07Å; P1574-T1601 VanDerWaalsContact CD-CG2 3.49Å; P1574-T1601 WeakPolarHBondContact CD-OG1 3.33Å; P1574-T1601 HydrophobicContact CG-CG2 3.68Å; P1574-T1601 WeakPolarHBondContact CG-OG1 3.45Å; P1574-K1608 HydrophobicContact CB-CD 3.62Å; P1574-K1608 HydrophobicContact CG-CB 4.19Å; P1574-K1608 HydrophobicContact CG-CD 4.05Å; P1574-F1610 HydrophobicContact CB-CZ 4.24Å; P1574-F1610 HydrophobicContact CG-CE1 3.87Å; P1574-F1610 HydrophobicContact CG-CE2 3.73Å; P1574-F1610 HydrophobicContact CG-CZ 3.79Å
1575	D	50.5	Low	47.7	Very low	111.6 Å²	111.6	55.6 Å²	55.6	60%	0.597	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	138.9	177.1	-57	-52.4	0	0	0	111.9	H1546 H1577 K1608	H1546-D1575 IonicContact CD2-OD1 2.68Å; H1546-D1575 IonicContact CE1-OD1 3.47Å; H1546-D1575 PolarHBondContact CE1-OD1 3.24Å; H1546-D1575 IonicContact CE1-OD2 3.32Å; H1546-D1575 PolarHBondContact CE1-OD2 2.92Å; H1546-D1575 IonicContact ND1-OD1 2.91Å; H1546-D1575 PolarHBondContact ND1-OD1 3.05Å; H1546-D1575 IonicContact NE2-OD1 3.17Å; H1546-D1575 PolarHBondContact NE2-OD1 2.91Å; D1575-H1577 VanDerWaalsContact C-N 3.32Å; D1575-H1577 PolarHBondContact O-CE1 3.36Å; D1575-H1577 PolarHBondContact O-N 3.11Å; D1575-H1577 PolarHBondContact O-ND1 3.1Å; D1575-K1608 PolarHBondContact O-NZ 3.25Å; D1575-K1608 IonicContact OD2-NZ 3.04Å; D1575-K1608 PolarHBondContact OD2-NZ 3.36Å
1576	G	48.7	Very low	47.4	Very low	45.8 Å²	45.8	63 Å²	63	47%	0.472	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	21.5	-175.4	0	0	0	0	0	114.7	P1574 A1604	P1574-G1576 PolarHBondContact O-N 2.87Å; G1576-A1604 CarbonylContact O-C 3.57Å; G1576-A1604 VanDerWaalsContact O-CA 3.3Å; G1576-A1604 WeakPolarHBondContact O-CA 3.35Å; G1576-A1604 WeakPolarHBondContact O-CB 3.47Å; G1576-A1604 PolarHBondContact O-N 3.3Å
1577	H	49.8	Very low	47	Very low	34.4 Å²	34.4	69.9 Å²	69.9	16%	0.159	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.6	175	-65.1	60	0	0	0	112	A1547 I1573 P1574 D1575 V1602 F1610 S1634	A1547-H1577 WeakPolarHBondContact CA-O 3.3Å; A1547-H1577 WeakPolarHBondContact CB-O 3.41Å; I1573-H1577 HydrophobicContact CG2-CB 4.35Å; I1573-H1577 VanDerWaalsContact CG2-O 3.26Å; I1573-H1577 WeakPolarHBondContact CG2-O 3.36Å; P1574-H1577 HydrophobicContact CB-CB 4.43Å; P1574-H1577 HydrophobicContact CG-CB 4.28Å; P1574-H1577 VanDerWaalsContact O-CB 3.27Å; P1574-H1577 WeakPolarHBondContact O-CB 3.34Å; P1574-H1577 PolarHBondContact O-N 3.26Å; P1574-H1577 VanDerWaalsContact O-N 3.09Å; P1574-H1577 PolarHBondContact O-ND1 3.04Å; P1574-H1577 VanDerWaalsContact O-ND1 3.07Å; D1575-H1577 VanDerWaalsContact C-N 3.32Å; D1575-H1577 PolarHBondContact O-CE1 3.36Å; D1575-H1577 PolarHBondContact O-N 3.11Å; D1575-H1577 PolarHBondContact O-ND1 3.1Å; H1577-V1602 WeakPolarHBondContact CA-O 3.35Å; H1577-F1610 AromaticContact CD2-CZ 3.63Å; H1577-F1610 AromaticContact NE2-CZ 3.98Å; H1577-S1634 PolarHBondContact CD2-O 3.21Å
1578	M	49.5	Very low	46.5	Very low	53.2 Å²	53.2	74.1 Å²	74.1	26%	0.262	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	143.6	174	-74.2	-175.6	-73.4	0	0	110.5	L1413 L1540 A1547 V1580 T1601 V1602 A1604 L1609 V1611 I1630	L1413-M1578 HydrophobicContact CD1-CE 4.06Å; L1413-M1578 HydrophobicContact CD2-CE 3.7Å; L1413-M1578 HydrophobicContact CG-CE 4.21Å; L1540-M1578 HydrophobicContact CD2-SD 4.2Å; A1547-M1578 HydrophobicContact CB-CE 4.03Å; M1578-V1580 HydrophobicContact CB-CG2 4.37Å; M1578-V1580 HydrophobicContact CG-CG2 4.47Å; M1578-V1580 HydrophobicContact SD-CG2 4.24Å; M1578-T1601 CarbonylContact O-C 3.57Å; M1578-T1601 VanDerWaalsContact O-CA 3.32Å; M1578-T1601 WeakPolarHBondContact O-CA 3.34Å; M1578-V1602 HydrophobicContact CB-CB 4.44Å; M1578-V1602 HydrophobicContact CE-CB 3.88Å; M1578-V1602 HydrophobicContact CE-CG1 3.62Å; M1578-V1602 PolarHBondContact N-O 2.85Å; M1578-V1602 PolarHBondContact O-N 3.02Å; M1578-A1604 HydrophobicContact CE-CB 4.23Å; M1578-A1604 HydrophobicContact CG-CB 4.17Å; M1578-A1604 HydrophobicContact SD-CB 4.32Å; M1578-L1609 HydrophobicContact CE-CD2 3.52Å; M1578-L1609 HydrophobicContact CG-CD2 4.46Å; M1578-L1609 HydrophobicContact SD-CD2 3.68Å; M1578-V1611 HydrophobicContact SD-CG2 3.94Å; M1578-I1630 HydrophobicContact CB-CD1 4.45Å; M1578-I1630 HydrophobicContact CG-CD1 3.52Å; M1578-I1630 VanDerWaalsContact CG-CD1 3.49Å; M1578-I1630 HydrophobicContact SD-CD1 3.42Å; M1578-I1630 WeakPolarHBondContact SD-CD1 3.46Å
1579	F	52.3	Low	45.6	Very low	21.8 Å²	21.8	76.6 Å²	76.6	10%	0.096	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.4	172.6	-96.3	-99.4	0	0	0	110.9	C1548 V1549 L1550 V1570 V1571 I1573 G1581 L1599 T1601 F1610 A1635 L1636 V1637 L1638	C1548-F1579 PolarHBondContact O-N 3.27Å; V1549-F1579 HydrophobicContact CG1-CB 4.25Å; V1549-F1579 HydrophobicContact CG2-CD1 4.36Å; V1549-F1579 HydrophobicContact CG2-CE1 4.48Å; L1550-F1579 HydrophobicContact CB-CD2 3.92Å; L1550-F1579 HydrophobicContact CB-CE2 3.74Å; L1550-F1579 HydrophobicContact CD1-CD2 3.53Å; L1550-F1579 HydrophobicContact CD1-CE2 3.81Å; L1550-F1579 HydrophobicContact CG-CD2 4.34Å; L1550-F1579 HydrophobicContact CG-CE2 4.36Å; L1550-F1579 PolarHBondContact N-O 2.98Å; L1550-F1579 VanDerWaalsContact N-O 3.1Å; V1570-F1579 HydrophobicContact CG2-CD1 4.49Å; V1570-F1579 HydrophobicContact CG2-CD2 3.78Å; V1570-F1579 HydrophobicContact CG2-CE1 4.14Å; V1570-F1579 HydrophobicContact CG2-CE2 3.39Å; V1570-F1579 HydrophobicContact CG2-CG 4.32Å; V1570-F1579 HydrophobicContact CG2-CZ 3.58Å; V1571-F1579 HydrophobicContact CG1-CE1 3.9Å; V1571-F1579 HydrophobicContact CG1-CZ 4Å; I1573-F1579 HydrophobicContact CB-CD2 4.41Å; I1573-F1579 HydrophobicContact CB-CE2 4.05Å; I1573-F1579 HydrophobicContact CB-CZ 4.35Å; I1573-F1579 HydrophobicContact CD1-CB 3.66Å; I1573-F1579 HydrophobicContact CD1-CD2 4.48Å; I1573-F1579 HydrophobicContact CD1-CG 4.4Å; I1573-F1579 HydrophobicContact CG1-CB 4.34Å; I1573-F1579 HydrophobicContact CG1-CD2 4.1Å; I1573-F1579 HydrophobicContact CG1-CE1 4.45Å; I1573-F1579 HydrophobicContact CG1-CE2 3.64Å; I1573-F1579 VanDerWaalsContact CG1-CE2 3.48Å; I1573-F1579 HydrophobicContact CG1-CG 4.44Å; I1573-F1579 HydrophobicContact CG1-CZ 4.12Å; I1573-F1579 HydrophobicContact CG2-CD2 3.98Å; I1573-F1579 HydrophobicContact CG2-CE2 3.91Å; F1579-G1581 VanDerWaalsContact CE1-CA 3.48Å; F1579-G1581 VanDerWaalsContact CE1-O 3.31Å; F1579-G1581 WeakPolarHBondContact CE1-O 3.35Å; F1579-L1599 HydrophobicContact CD1-CB 4.36Å; F1579-L1599 HydrophobicContact CD1-CD1 4.27Å; F1579-L1599 HydrophobicContact CD1-CD2 4.42Å; F1579-L1599 HydrophobicContact CD2-CD2 4.24Å; F1579-L1599 HydrophobicContact CE1-CD2 3.89Å; F1579-L1599 HydrophobicContact CE2-CD2 3.59Å; F1579-L1599 HydrophobicContact CZ-CD2 3.43Å; F1579-L1599 VanDerWaalsContact CZ-CD2 3.43Å; F1579-T1601 HydrophobicContact CD1-CG2 4.08Å; F1579-T1601 HydrophobicContact CD2-CG2 4.17Å; F1579-T1601 HydrophobicContact CE1-CG2 3.57Å; F1579-T1601 VanDerWaalsContact CE1-CG2 3.45Å; F1579-T1601 HydrophobicContact CE2-CG2 3.63Å; F1579-T1601 VanDerWaalsContact CE2-CG2 3.42Å; F1579-T1601 HydrophobicContact CG-CG2 4.37Å; F1579-T1601 HydrophobicContact CZ-CG2 3.34Å; F1579-F1610 HydrophobicContact CE2-CD1 4.33Å; F1579-F1610 AromaticContact CE2-CE1 3.75Å; F1579-F1610 HydrophobicContact CE2-CE1 3.75Å; F1579-F1610 AromaticContact CZ-CD1 3.89Å; F1579-F1610 HydrophobicContact CZ-CD1 3.89Å; F1579-F1610 AromaticContact CZ-CE1 3.53Å; F1579-F1610 HydrophobicContact CZ-CE1 3.53Å; F1579-A1635 HydrophobicContact CD2-CB 4.07Å; F1579-L1636 CarbonylContact C-O 3.58Å; F1579-L1636 WeakPolarHBondContact CA-O 3.32Å; F1579-L1636 WeakPolarHBondContact CB-O 3.22Å; F1579-L1636 HydrophobicContact CE1-CB 4.06Å; F1579-L1636 HydrophobicContact CE1-CD2 3.99Å; F1579-L1636 WeakPolarHBondContact CE1-O 3.19Å; F1579-L1636 PolarHBondContact N-O 3.17Å; F1579-L1636 CarbonylContact O-C 3.09Å; F1579-V1637 HydrophobicContact CB-CG2 4.34Å; F1579-V1637 WeakPolarHBondContact O-CA 3.47Å; F1579-L1638 PolarHBondContact O-N 3.3Å
1580	V	48.1	Very low	44.6	Very low	56.2 Å²	56.2	77.8 Å²	77.8	34%	0.341	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	100.5	178.2	-172.7	0	0	0	0	109.4	L1550 M1578 I1582 L1599 T1600 V1602 L1638	L1550-V1580 CarbonylContact O-C 3.51Å; L1550-V1580 VanDerWaalsContact O-C 3.24Å; L1550-V1580 VanDerWaalsContact O-O 3.07Å; M1578-V1580 HydrophobicContact CB-CG2 4.37Å; M1578-V1580 HydrophobicContact CG-CG2 4.47Å; M1578-V1580 HydrophobicContact SD-CG2 4.24Å; V1580-I1582 HydrophobicContact CG1-CG1 3.97Å; V1580-I1582 PolarHBondContact O-N 2.91Å; V1580-L1599 WeakPolarHBondContact O-CA 3.25Å; V1580-T1600 HydrophobicContact CB-CG2 3.89Å; V1580-T1600 HydrophobicContact CG2-CG2 4.44Å; V1580-T1600 PolarHBondContact N-O 2.75Å; V1580-T1600 PolarHBondContact O-N 3.13Å; V1580-V1602 HydrophobicContact CG2-CG2 4.02Å; V1580-L1638 HydrophobicContact CG1-CB 4.26Å; V1580-L1638 HydrophobicContact CG1-CD1 4.33Å; V1580-L1638 HydrophobicContact CG2-CD1 4.36Å
1581	G	44.5	Very low	43.4	Very low	14.4 Å²	14.4	79.7 Å²	79.7	15%	0.148	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.7	174.4	0	0	0	0	0	111.7	L1550 P1552 F1579 P1583 L1598 L1638	L1550-G1581 WeakPolarHBondContact O-CA 3.15Å; L1550-G1581 PolarHBondContact O-N 3.28Å; P1552-G1581 VanDerWaalsContact CD-O 3.26Å; P1552-G1581 WeakPolarHBondContact CD-O 3.48Å; F1579-G1581 VanDerWaalsContact CE1-CA 3.48Å; F1579-G1581 VanDerWaalsContact CE1-O 3.31Å; F1579-G1581 WeakPolarHBondContact CE1-O 3.35Å; G1581-P1583 WeakPolarHBondContact O-CD 3.42Å; G1581-L1598 WeakPolarHBondContact CA-O 3.4Å; G1581-L1638 PolarHBondContact N-O 2.81Å
1582	I	41	Very low	42.3	Very low	85.2 Å²	85.2	80.6 Å²	80.6	44%	0.437	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	120.2	176.4	-56.1	175.1	0	0	0	108.9	V1580 G1584 L1598 T1600 P1655	V1580-I1582 HydrophobicContact CG1-CG1 3.97Å; V1580-I1582 PolarHBondContact O-N 2.91Å; I1582-G1584 PolarHBondContact O-N 2.85Å; I1582-G1584 VanDerWaalsContact O-N 3.16Å; I1582-L1598 HydrophobicContact CB-CB 4.3Å; I1582-L1598 HydrophobicContact CD1-CB 4.39Å; I1582-L1598 HydrophobicContact CG1-CB 4.47Å; I1582-L1598 PolarHBondContact N-O 2.83Å; I1582-L1598 PolarHBondContact O-N 3.44Å; I1582-T1600 HydrophobicContact CD1-CG2 3.99Å; I1582-T1600 VanDerWaalsContact CD1-OG1 3.23Å; I1582-T1600 WeakPolarHBondContact CD1-OG1 3.39Å; I1582-T1600 HydrophobicContact CG1-CG2 4.46Å; I1582-P1655 HydrophobicContact CD1-CB 3.8Å; I1582-P1655 HydrophobicContact CD1-CG 4.01Å; I1582-P1655 HydrophobicContact CG1-CB 4.42Å; I1582-P1655 HydrophobicContact CG1-CG 4.07Å; I1582-P1655 HydrophobicContact CG2-CG 4.03Å
1583	P	40	Very low	41.2	Very low	71.8 Å²	71.8	84.1 Å²	84.1	47%	0.466	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-69.5	135.2	175.5	28.6	-33	0	0	0	110.7	P1552 L1554 G1581 N1585 H1640	P1552-P1583 HydrophobicContact CB-CB 4.12Å; P1552-P1583 HydrophobicContact CB-CG 4.15Å; P1552-P1583 HydrophobicContact CG-CB 4.49Å; P1552-P1583 HydrophobicContact CG-CG 4.25Å; L1554-P1583 HydrophobicContact CD1-CB 4.47Å; G1581-P1583 WeakPolarHBondContact O-CD 3.42Å; P1583-N1585 PolarHBondContact O-N 3.11Å; P1583-H1640 HydrophobicContact CB-CB 4.27Å; P1583-H1640 HydrophobicContact CG-CB 4.01Å
1584	G	37	Very low	40.2	Very low	51.4 Å²	51.4	86.8 Å²	86.8	53%	0.53	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-57.1	133.6	179.9	0	0	0	0	0	112.7	I1582 R1586	I1582-G1584 PolarHBondContact O-N 2.85Å; I1582-G1584 VanDerWaalsContact O-N 3.16Å; G1584-R1586 PolarHBondContact O-N 3.03Å; G1584-R1586 VanDerWaalsContact O-N 3.08Å
1585	N	36.1	Very low	39.5	Very low	123.8 Å²	123.8	90.2 Å²	90.2	66%	0.662	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-64.4	128.7	-176.1	-173.5	-9.1	0	0	0	111.4	P1583 R1587 M1588	P1583-N1585 PolarHBondContact O-N 3.11Å; N1585-R1587 VanDerWaalsContact C-N 3.28Å; N1585-R1587 PolarHBondContact O-N 3.13Å; N1585-R1587 PolarHBondContact OD1-N 3.15Å; N1585-M1588 PolarHBondContact O-N 3.41Å
1586	R	36.5	Very low	39	Very low	201.6 Å²	201.6	88.3 Å²	88.3	76%	0.761	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	12	-175.2	-55.9	-171.1	-160	-124.9	4.3	114.6	G1584 G1716	G1584-R1586 PolarHBondContact O-N 3.03Å; G1584-R1586 VanDerWaalsContact O-N 3.08Å; R1586-G1716 PolarHBondContact NE-O 3.48Å; R1586-G1716 PolarHBondContact NH2-O 2.88Å; R1586-G1716 VanDerWaalsContact NH2-O 3.09Å
1587	R	34.2	Very low	38.9	Very low	202 Å²	202	87.9 Å²	87.9	76%	0.762	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	37	174.1	-71.6	-170.3	177.3	-178.4	1.4	113.2	N1585 P1589	N1585-R1587 VanDerWaalsContact C-N 3.28Å; N1585-R1587 PolarHBondContact O-N 3.13Å; N1585-R1587 PolarHBondContact OD1-N 3.15Å; R1587-P1589 WeakPolarHBondContact O-CD 3.42Å
1588	M	36	Very low	38.7	Very low	110.8 Å²	110.8	90.5 Å²	90.5	55%	0.546	50%	0.496	S	S	.	.			trans	-77.3	127.2	167.1	-86.1	-78.2	123.7	0	0	110.3	N1585 T1592 L1594	N1585-M1588 PolarHBondContact O-N 3.41Å; M1588-T1592 WeakPolarHBondContact CB-OG1 3.4Å; M1588-T1592 HydrophobicContact CE-CG2 4.1Å; M1588-T1592 VanDerWaalsContact CE-OG1 3.3Å; M1588-T1592 WeakPolarHBondContact CE-OG1 3.39Å; M1588-T1592 HydrophobicContact SD-CG2 3.99Å; M1588-T1592 PolarHBondContact SD-OG1 3.11Å; M1588-L1594 HydrophobicContact CB-CD1 4.38Å; M1588-L1594 HydrophobicContact CE-CD1 3.79Å; M1588-L1594 HydrophobicContact CG-CD1 4.04Å; M1588-L1594 HydrophobicContact SD-CD1 4.33Å; M1588-L1594 HydrophobicContact SD-CD2 3.85Å; M1588-L1594 HydrophobicContact SD-CG 3.94Å
1589	P	31.2	Very low	38.8	Very low	90.4 Å²	90.4	89.4 Å²	89.4	59%	0.587	49%	0.491	S	S	*	.			trans	-66.6	147	176.7	-0.6	7.1	0	0	0	111.6	R1587 G1591 T1592	R1587-P1589 WeakPolarHBondContact O-CD 3.42Å; P1589-G1591 VanDerWaalsContact C-N 3.34Å; P1589-G1591 PolarHBondContact O-N 3.13Å; P1589-T1592 HydrophobicContact CG-CG2 3.92Å; P1589-T1592 PolarHBondContact O-N 3.37Å; P1589-T1592 VanDerWaalsContact O-N 3.12Å; P1589-T1592 PolarHBondContact O-OG1 3.01Å; P1589-T1592 VanDerWaalsContact O-OG1 3.06Å
1590	S	29.5	Very low	38.6	Very low	127 Å²	127	90.9 Å²	90.9	89%	0.888	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	99.9	179.5	-52.8	0	0	0	0	111.7
1591	G	30.7	Very low	38.9	Very low	71.6 Å²	71.6	90.5 Å²	90.5	74%	0.738	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	149.9	-26.4	179.3	0	0	0	0	0	114.8	P1589 R1593	P1589-G1591 VanDerWaalsContact C-N 3.34Å; P1589-G1591 PolarHBondContact O-N 3.13Å; G1591-R1593 PolarHBondContact O-N 2.87Å; G1591-R1593 VanDerWaalsContact O-N 3.15Å
1592	T	31.7	Very low	39.2	Very low	76.4 Å²	76.4	92.2 Å²	92.2	47%	0.469	51%	0.507	S	S	.	.			trans	-79.3	118.7	178.4	47.3	0	0	0	0	111.8	M1588 P1589 L1594	M1588-T1592 WeakPolarHBondContact CB-OG1 3.4Å; M1588-T1592 HydrophobicContact CE-CG2 4.1Å; M1588-T1592 VanDerWaalsContact CE-OG1 3.3Å; M1588-T1592 WeakPolarHBondContact CE-OG1 3.39Å; M1588-T1592 HydrophobicContact SD-CG2 3.99Å; M1588-T1592 PolarHBondContact SD-OG1 3.11Å; P1589-T1592 HydrophobicContact CG-CG2 3.92Å; P1589-T1592 PolarHBondContact O-N 3.37Å; P1589-T1592 VanDerWaalsContact O-N 3.12Å; P1589-T1592 PolarHBondContact O-OG1 3.01Å; P1589-T1592 VanDerWaalsContact O-OG1 3.06Å; T1592-L1594 PolarHBondContact O-N 2.93Å; T1592-L1594 VanDerWaalsContact O-N 3.12Å
1593	R	31.2	Very low	39.8	Very low	149.4 Å²	149.4	94.4 Å²	94.4	56%	0.564	52%	0.515	S	S	*	.			trans	-74.5	134.6	177.7	-61.1	-176.7	-177.7	-160.1	-1.1	110.9	S1556 N1557 E1558 G1591 H1595	S1556-R1593 WeakPolarHBondContact OG-CD 3.22Å; N1557-R1593 PolarHBondContact O-NH1 3.36Å; E1558-R1593 PolarHBondContact O-NH2 3.46Å; E1558-R1593 IonicContact OE1-CZ 3.18Å; E1558-R1593 VanDerWaalsContact OE1-CZ 3.24Å; E1558-R1593 IonicContact OE1-NE 2.84Å; E1558-R1593 PolarHBondContact OE1-NE 3.28Å; E1558-R1593 IonicContact OE1-NH1 2.84Å; E1558-R1593 IonicContact OE1-NH2 3.3Å; E1558-R1593 PolarHBondContact OE1-NH2 2.98Å; E1558-R1593 IonicContact OE2-CZ 3.91Å; E1558-R1593 IonicContact OE2-NH2 2.73Å; E1558-R1593 PolarHBondContact OE2-NH2 2.98Å; G1591-R1593 PolarHBondContact O-N 2.87Å; G1591-R1593 VanDerWaalsContact O-N 3.15Å; R1593-H1595 VanDerWaalsContact CD-NE2 3.31Å; R1593-H1595 WeakPolarHBondContact CD-NE2 3.23Å; R1593-H1595 PolarHBondContact NH1-NE2 2.8Å; R1593-H1595 PolarHBondContact O-CD2 3.26Å; R1593-H1595 PolarHBondContact O-N 2.9Å
1594	L	34.6	Very low	40.3	Very low	84 Å²	84	91.8 Å²	91.8	44%	0.44	50%	0.5	S	S	.	.			trans	-86.2	101.6	169.7	-74.2	169.9	0	0	0	110.3	R1564 C1565 S1566 M1588 T1592 S1596 R1657 V1681	R1564-L1594 HydrophobicContact CB-CD2 4.1Å; C1565-L1594 WeakPolarHBondContact O-CD1 3.37Å; C1565-L1594 WeakPolarHBondContact O-CD2 3.31Å; S1566-L1594 WeakPolarHBondContact CB-O 3.42Å; S1566-L1594 PolarHBondContact OG-O 3.34Å; M1588-L1594 HydrophobicContact CB-CD1 4.38Å; M1588-L1594 HydrophobicContact CE-CD1 3.79Å; M1588-L1594 HydrophobicContact CG-CD1 4.04Å; M1588-L1594 HydrophobicContact SD-CD1 4.33Å; M1588-L1594 HydrophobicContact SD-CD2 3.85Å; M1588-L1594 HydrophobicContact SD-CG 3.94Å; T1592-L1594 PolarHBondContact O-N 2.93Å; T1592-L1594 VanDerWaalsContact O-N 3.12Å; L1594-S1596 PolarHBondContact O-N 2.94Å; L1594-R1657 VanDerWaalsContact CD1-NH2 3.35Å; L1594-V1681 HydrophobicContact CD1-CB 3.75Å; L1594-V1681 HydrophobicContact CD1-CG2 3.53Å
1595	H	36.3	Very low	41	Very low	110.6 Å²	110.6	95.6 Å²	95.6	51%	0.512	51%	0.508	S	S	.	.			trans	-77.5	123.3	172.2	-77.3	-98.8	0	0	0	110.5	R1593 T1597 G1615 A1616	R1593-H1595 VanDerWaalsContact CD-NE2 3.31Å; R1593-H1595 WeakPolarHBondContact CD-NE2 3.23Å; R1593-H1595 PolarHBondContact NH1-NE2 2.8Å; R1593-H1595 PolarHBondContact O-CD2 3.26Å; R1593-H1595 PolarHBondContact O-N 2.9Å; H1595-T1597 PolarHBondContact O-N 2.86Å; H1595-T1597 PolarHBondContact O-OG1 2.6Å; H1595-G1615 PolarHBondContact ND1-O 3.34Å; H1595-A1616 PolarHBondContact CE1-O 2.66Å; H1595-A1616 PolarHBondContact ND1-O 2.84Å
1596	S	40.1	Very low	41.8	Very low	72.2 Å²	72.2	94.2 Å²	94.2	51%	0.505	51%	0.508	S	S	.	.			trans	-60.2	121.1	173.3	-150.4	0	0	0	0	112.8	S1566 L1594 L1598 G1615	S1566-S1596 WeakPolarHBondContact CB-OG 3.12Å; L1594-S1596 PolarHBondContact O-N 2.94Å; S1596-L1598 PolarHBondContact O-N 2.84Å; S1596-L1598 VanDerWaalsContact OG-CD2 3.23Å; S1596-L1598 WeakPolarHBondContact OG-CD2 3.29Å; S1596-L1598 WeakPolarHBondContact OG-CG 3.14Å; S1596-G1615 PolarHBondContact O-N 3.09Å; S1596-G1615 VanDerWaalsContact O-N 3.12Å
1597	T	45.6	Very low	42.5	Very low	37.4 Å²	37.4	89.9 Å²	89.9	23%	0.229	50%	0.496	C	S	.	.			trans	-81.4	113.6	158.9	-56.4	0	0	0	0	107.1	G1567 V1568 Q1569 H1595 L1599 L1612 L1638 P1655	G1567-T1597 PolarHBondContact O-N 2.75Å; V1568-T1597 WeakPolarHBondContact CA-O 3.3Å; Q1569-T1597 PolarHBondContact N-O 2.89Å; H1595-T1597 PolarHBondContact O-N 2.86Å; H1595-T1597 PolarHBondContact O-OG1 2.6Å; T1597-L1599 VanDerWaalsContact C-N 3.27Å; T1597-L1599 HydrophobicContact CG2-CD2 4.4Å; T1597-L1599 HydrophobicContact CG2-CG 4.31Å; T1597-L1599 PolarHBondContact O-N 3.19Å; T1597-L1612 HydrophobicContact CG2-CD1 3.56Å; T1597-L1612 HydrophobicContact CG2-CD2 4.15Å; T1597-L1612 HydrophobicContact CG2-CG 3.77Å; T1597-L1638 HydrophobicContact CG2-CD2 3.85Å; T1597-P1655 HydrophobicContact CG2-CG 4.44Å
1598	L	46.7	Very low	43.5	Very low	89.8 Å²	89.8	84.6 Å²	84.6	47%	0.47	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	106.7	179.9	-94.4	151.7	0	0	0	109.7	Q1569 V1571 G1581 I1582 S1596 T1600 L1612 A1613	Q1569-L1598 HydrophobicContact CB-CD2 3.94Å; Q1569-L1598 HydrophobicContact CG-CD2 4.02Å; V1571-L1598 HydrophobicContact CG2-CD1 4.45Å; V1571-L1598 HydrophobicContact CG2-CD2 3.88Å; V1571-L1598 HydrophobicContact CG2-CG 3.97Å; G1581-L1598 WeakPolarHBondContact CA-O 3.4Å; I1582-L1598 HydrophobicContact CB-CB 4.3Å; I1582-L1598 HydrophobicContact CD1-CB 4.39Å; I1582-L1598 HydrophobicContact CG1-CB 4.47Å; I1582-L1598 PolarHBondContact N-O 2.83Å; I1582-L1598 PolarHBondContact O-N 3.44Å; S1596-L1598 PolarHBondContact O-N 2.84Å; S1596-L1598 VanDerWaalsContact OG-CD2 3.23Å; S1596-L1598 WeakPolarHBondContact OG-CD2 3.29Å; S1596-L1598 WeakPolarHBondContact OG-CG 3.14Å; L1598-T1600 PolarHBondContact O-N 3.28Å; L1598-L1612 WeakPolarHBondContact O-CA 3.06Å; L1598-A1613 HydrophobicContact CB-CB 4.2Å; L1598-A1613 PolarHBondContact N-O 3.08Å; L1598-A1613 PolarHBondContact O-N 3.27Å
1599	L	52	Low	44.5	Very low	30.4 Å²	30.4	80.9 Å²	80.9	16%	0.159	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	118.6	168.8	-105.4	141.9	0	0	0	108.5	V1549 L1550 I1551 V1568 Q1569 V1570 V1571 F1579 V1580 T1597 F1610 V1611 L1612	V1549-L1599 HydrophobicContact CG1-CD1 3.77Å; L1550-L1599 HydrophobicContact CD1-CD2 4.01Å; I1551-L1599 HydrophobicContact CD1-CD1 3.63Å; I1551-L1599 HydrophobicContact CD1-CG 4.27Å; I1551-L1599 HydrophobicContact CG1-CD1 4.04Å; V1568-L1599 HydrophobicContact CG1-CB 4.44Å; Q1569-L1599 PolarHBondContact O-N 3.09Å; V1570-L1599 WeakPolarHBondContact CA-O 3.35Å; V1570-L1599 HydrophobicContact CG2-CD2 4.5Å; V1571-L1599 WeakPolarHBondContact CB-O 3.44Å; V1571-L1599 PolarHBondContact N-O 3.1Å; F1579-L1599 HydrophobicContact CD1-CB 4.36Å; F1579-L1599 HydrophobicContact CD1-CD1 4.27Å; F1579-L1599 HydrophobicContact CD1-CD2 4.42Å; F1579-L1599 HydrophobicContact CD2-CD2 4.24Å; F1579-L1599 HydrophobicContact CE1-CD2 3.89Å; F1579-L1599 HydrophobicContact CE2-CD2 3.59Å; F1579-L1599 HydrophobicContact CZ-CD2 3.43Å; F1579-L1599 VanDerWaalsContact CZ-CD2 3.43Å; V1580-L1599 WeakPolarHBondContact O-CA 3.25Å; T1597-L1599 VanDerWaalsContact C-N 3.27Å; T1597-L1599 HydrophobicContact CG2-CD2 4.4Å; T1597-L1599 HydrophobicContact CG2-CG 4.31Å; T1597-L1599 PolarHBondContact O-N 3.19Å; L1599-F1610 HydrophobicContact CD1-CB 4.48Å; L1599-F1610 HydrophobicContact CD1-CD1 4.47Å; L1599-V1611 WeakPolarHBondContact CA-O 3.23Å; L1599-L1612 HydrophobicContact CD1-CB 4.23Å; L1599-L1612 HydrophobicContact CD1-CD1 4.04Å
1600	T	48.5	Very low	45.8	Very low	52 Å²	52	78.1 Å²	78.1	32%	0.319	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144	173	-156.4	0	0	0	0	110	V1580 I1582 L1598 V1602 V1611	V1580-T1600 HydrophobicContact CB-CG2 3.89Å; V1580-T1600 HydrophobicContact CG2-CG2 4.44Å; V1580-T1600 PolarHBondContact N-O 2.75Å; V1580-T1600 PolarHBondContact O-N 3.13Å; I1582-T1600 HydrophobicContact CD1-CG2 3.99Å; I1582-T1600 VanDerWaalsContact CD1-OG1 3.23Å; I1582-T1600 WeakPolarHBondContact CD1-OG1 3.39Å; I1582-T1600 HydrophobicContact CG1-CG2 4.46Å; L1598-T1600 PolarHBondContact O-N 3.28Å; T1600-V1602 HydrophobicContact CG2-CG2 4.37Å; T1600-V1611 HydrophobicContact CG2-CB 3.88Å; T1600-V1611 HydrophobicContact CG2-CG1 4.44Å; T1600-V1611 HydrophobicContact CG2-CG2 4.47Å; T1600-V1611 PolarHBondContact N-O 3.01Å; T1600-V1611 PolarHBondContact O-N 3.2Å
1601	T	53.1	Low	47	Very low	49.2 Å²	49.2	73.6 Å²	73.6	30%	0.302	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	142.9	171.1	61.4	0	0	0	0	110.6	D1572 P1574 M1578 F1579 L1609 F1610 L1636 V1637 V1653	D1572-T1601 HydrophobicContact CB-CG2 3.93Å; D1572-T1601 VanDerWaalsContact OD2-CB 3.31Å; D1572-T1601 WeakPolarHBondContact OD2-CB 3.46Å; D1572-T1601 WeakPolarHBondContact OD2-CG2 3.43Å; D1572-T1601 PolarHBondContact OD2-OG1 3.41Å; P1574-T1601 VanDerWaalsContact CD-CG2 3.49Å; P1574-T1601 WeakPolarHBondContact CD-OG1 3.33Å; P1574-T1601 HydrophobicContact CG-CG2 3.68Å; P1574-T1601 WeakPolarHBondContact CG-OG1 3.45Å; M1578-T1601 CarbonylContact O-C 3.57Å; M1578-T1601 VanDerWaalsContact O-CA 3.32Å; M1578-T1601 WeakPolarHBondContact O-CA 3.34Å; F1579-T1601 HydrophobicContact CD1-CG2 4.08Å; F1579-T1601 HydrophobicContact CD2-CG2 4.17Å; F1579-T1601 HydrophobicContact CE1-CG2 3.57Å; F1579-T1601 VanDerWaalsContact CE1-CG2 3.45Å; F1579-T1601 HydrophobicContact CE2-CG2 3.63Å; F1579-T1601 VanDerWaalsContact CE2-CG2 3.42Å; F1579-T1601 HydrophobicContact CG-CG2 4.37Å; F1579-T1601 HydrophobicContact CZ-CG2 3.34Å; T1601-L1609 CarbonylContact C-O 3.47Å; T1601-L1609 VanDerWaalsContact CA-O 3.24Å; T1601-L1609 WeakPolarHBondContact CA-O 3.35Å; T1601-F1610 HydrophobicContact CG2-CD1 3.61Å; T1601-F1610 HydrophobicContact CG2-CD2 4.25Å; T1601-F1610 HydrophobicContact CG2-CE1 3.41Å; T1601-F1610 VanDerWaalsContact CG2-CE1 3.41Å; T1601-F1610 HydrophobicContact CG2-CE2 4.05Å; T1601-F1610 HydrophobicContact CG2-CG 4.03Å; T1601-F1610 HydrophobicContact CG2-CZ 3.62Å; T1601-L1636 WeakPolarHBondContact CA-O 3.39Å; T1601-V1637 HydrophobicContact CG2-CG2 4.44Å; T1601-V1653 HydrophobicContact CG2-CB 4.36Å; T1601-V1653 HydrophobicContact CG2-CG2 3.67Å
1602	V	51.3	Low	48.2	Very low	48.8 Å²	48.8	71.8 Å²	71.8	30%	0.296	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	120.8	174	179.9	0	0	0	0	108.4	I1409 L1413 H1577 M1578 V1580 T1600 A1604 L1609 V1611 A1635 L1636	I1409-V1602 HydrophobicContact CG2-CG1 3.71Å; L1413-V1602 HydrophobicContact CD1-CG1 4.45Å; H1577-V1602 WeakPolarHBondContact CA-O 3.35Å; M1578-V1602 HydrophobicContact CB-CB 4.44Å; M1578-V1602 HydrophobicContact CE-CB 3.88Å; M1578-V1602 HydrophobicContact CE-CG1 3.62Å; M1578-V1602 PolarHBondContact N-O 2.85Å; M1578-V1602 PolarHBondContact O-N 3.02Å; V1580-V1602 HydrophobicContact CG2-CG2 4.02Å; T1600-V1602 HydrophobicContact CG2-CG2 4.37Å; V1602-A1604 PolarHBondContact O-N 3.35Å; V1602-A1604 VanDerWaalsContact O-N 3.15Å; V1602-L1609 HydrophobicContact CG1-CD2 4.34Å; V1602-L1609 PolarHBondContact N-O 3.28Å; V1602-L1609 WeakPolarHBondContact O-CB 3.29Å; V1602-L1609 PolarHBondContact O-N 3.19Å; V1602-V1611 HydrophobicContact CB-CG2 4.49Å; V1602-V1611 HydrophobicContact CG2-CG2 3.79Å; V1602-A1635 VanDerWaalsContact O-CA 3.3Å; V1602-A1635 WeakPolarHBondContact O-CA 3.2Å; V1602-L1636 PolarHBondContact O-N 3.06Å
1603	Q	53.6	Low	49.2	Very low	132.6 Å²	132.6	69.7 Å²	69.7	62%	0.62	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	122.5	173	-171.4	176.3	22.9	0	0	109.8	N1605 E1607 K1608	Q1603-N1605 PolarHBondContact O-N 3.32Å; Q1603-N1605 VanDerWaalsContact O-N 3.08Å; Q1603-E1607 CarbonylContact C-O 3.38Å; Q1603-E1607 WeakPolarHBondContact CA-O 3.19Å; Q1603-K1608 HydrophobicContact CG-CG 4.48Å
1604	A	50	Low	50	Low	16.8 Å²	16.8	64.7 Å²	64.7	14%	0.139	36%	0.359	C	S	.	.			trans	-112.3	105.3	-176.1	0	0	0	0	0	110.4	L1413 G1576 M1578 V1602 S1606 E1607 K1608 L1609 I1630 S1634	L1413-A1604 HydrophobicContact CD1-CB 3.58Å; L1413-A1604 HydrophobicContact CD2-CB 3.63Å; L1413-A1604 HydrophobicContact CG-CB 4.23Å; G1576-A1604 CarbonylContact O-C 3.57Å; G1576-A1604 VanDerWaalsContact O-CA 3.3Å; G1576-A1604 WeakPolarHBondContact O-CA 3.35Å; G1576-A1604 WeakPolarHBondContact O-CB 3.47Å; G1576-A1604 PolarHBondContact O-N 3.3Å; M1578-A1604 HydrophobicContact CE-CB 4.23Å; M1578-A1604 HydrophobicContact CG-CB 4.17Å; M1578-A1604 HydrophobicContact SD-CB 4.32Å; V1602-A1604 PolarHBondContact O-N 3.35Å; V1602-A1604 VanDerWaalsContact O-N 3.15Å; A1604-S1606 VanDerWaalsContact C-N 3.3Å; A1604-S1606 PolarHBondContact O-N 3.13Å; A1604-E1607 PolarHBondContact N-O 3.19Å; A1604-E1607 WeakPolarHBondContact O-CA 3.45Å; A1604-E1607 PolarHBondContact O-N 3.13Å; A1604-K1608 HydrophobicContact CB-CB 4.49Å; A1604-L1609 HydrophobicContact CB-CD1 3.75Å; A1604-L1609 VanDerWaalsContact CB-CD1 3.47Å; A1604-L1609 HydrophobicContact CB-CD2 3.58Å; A1604-L1609 HydrophobicContact CB-CG 4.2Å; A1604-L1609 WeakPolarHBondContact O-CD1 3.5Å; A1604-I1630 HydrophobicContact CB-CB 3.83Å; A1604-I1630 HydrophobicContact CB-CD1 4.09Å; A1604-I1630 HydrophobicContact CB-CG2 3.68Å; A1604-S1634 PolarHBondContact N-O 3.32Å
1605	N	52.4	Low	50.3	Low	129.8 Å²	129.8	62.1 Å²	62.1	69%	0.694	35%	0.352	S	S	*	.			trans	-28.1	77.4	170.8	-49.6	-12.2	0	0	0	112.3	Q1603 E1607 K1608 L1609	Q1603-N1605 PolarHBondContact O-N 3.32Å; Q1603-N1605 VanDerWaalsContact O-N 3.08Å; N1605-E1607 VanDerWaalsContact C-N 3.29Å; N1605-E1607 PolarHBondContact O-N 3.05Å; N1605-K1608 PolarHBondContact O-N 3.08Å; N1605-K1608 WeakPolarHBondContact OD1-CD 3.45Å; N1605-K1608 WeakPolarHBondContact OD1-CE 3.1Å; N1605-K1608 VanDerWaalsContact OD1-CG 3.23Å; N1605-K1608 WeakPolarHBondContact OD1-CG 3.46Å; N1605-K1608 PolarHBondContact OD1-NZ 2.97Å; N1605-L1609 VanDerWaalsContact O-CD1 3.26Å; N1605-L1609 WeakPolarHBondContact O-CD1 3.42Å
1606	S	51.7	Low	50.3	Low	94.4 Å²	94.4	60.1 Å²	60.1	66%	0.66	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-29.6	23.8	-170.7	63.8	0	0	0	0	116.4	A1604 K1608	A1604-S1606 VanDerWaalsContact C-N 3.3Å; A1604-S1606 PolarHBondContact O-N 3.13Å; S1606-K1608 PolarHBondContact O-N 3.11Å; S1606-K1608 VanDerWaalsContact O-N 3.09Å
1607	E	53.1	Low	50.3	Low	111.6 Å²	111.6	59.9 Å²	59.9	52%	0.521	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	4.4	179.5	-58.4	-171.6	166	0	0	114.4	Q1603 A1604 N1605 L1609 R1629 I1630	Q1603-E1607 CarbonylContact C-O 3.38Å; Q1603-E1607 WeakPolarHBondContact CA-O 3.19Å; A1604-E1607 PolarHBondContact N-O 3.19Å; A1604-E1607 WeakPolarHBondContact O-CA 3.45Å; A1604-E1607 PolarHBondContact O-N 3.13Å; N1605-E1607 VanDerWaalsContact C-N 3.29Å; N1605-E1607 PolarHBondContact O-N 3.05Å; E1607-L1609 PolarHBondContact O-N 2.96Å; E1607-R1629 VanDerWaalsContact CD-NH2 3.26Å; E1607-R1629 WeakPolarHBondContact O-CA 3.43Å; E1607-R1629 WeakPolarHBondContact O-CG 3.31Å; E1607-R1629 IonicContact OE1-CZ 3.16Å; E1607-R1629 IonicContact OE1-NE 2.99Å; E1607-R1629 IonicContact OE1-NH2 3.52Å; E1607-R1629 PolarHBondContact OE1-NH2 2.85Å; E1607-R1629 IonicContact OE2-CZ 3.75Å; E1607-R1629 VanDerWaalsContact OE2-CZ 3.28Å; E1607-R1629 IonicContact OE2-NE 3.04Å; E1607-R1629 PolarHBondContact OE2-NE 2.95Å; E1607-R1629 VanDerWaalsContact OE2-NE 3.17Å; E1607-R1629 IonicContact OE2-NH2 3.22Å; E1607-R1629 PolarHBondContact OE2-NH2 3.27Å; E1607-I1630 PolarHBondContact O-N 2.89Å
1608	K	54.8	Low	50	Low	90.8 Å²	90.8	63.5 Å²	63.5	40%	0.395	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	107.6	-173.1	-73.3	179.3	-176	167.4	0	112.5	P1574 D1575 Q1603 A1604 N1605 S1606 F1610	P1574-K1608 HydrophobicContact CB-CD 3.62Å; P1574-K1608 HydrophobicContact CG-CB 4.19Å; P1574-K1608 HydrophobicContact CG-CD 4.05Å; D1575-K1608 PolarHBondContact O-NZ 3.25Å; D1575-K1608 IonicContact OD2-NZ 3.04Å; D1575-K1608 PolarHBondContact OD2-NZ 3.36Å; Q1603-K1608 HydrophobicContact CG-CG 4.48Å; A1604-K1608 HydrophobicContact CB-CB 4.49Å; N1605-K1608 PolarHBondContact O-N 3.08Å; N1605-K1608 WeakPolarHBondContact OD1-CD 3.45Å; N1605-K1608 WeakPolarHBondContact OD1-CE 3.1Å; N1605-K1608 VanDerWaalsContact OD1-CG 3.23Å; N1605-K1608 WeakPolarHBondContact OD1-CG 3.46Å; N1605-K1608 PolarHBondContact OD1-NZ 2.97Å; S1606-K1608 PolarHBondContact O-N 3.11Å; S1606-K1608 VanDerWaalsContact O-N 3.09Å; K1608-F1610 HydrophobicContact CB-CE2 4.39Å; K1608-F1610 WeakPolarHBondContact O-CD2 3.25Å
1609	L	56.9	Low	49.7	Very low	33.8 Å²	33.8	65 Å²	65	18%	0.177	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	146.1	171.7	-63.2	167	0	0	0	111.2	L1413 V1437 M1578 T1601 V1602 A1604 N1605 E1607 I1627 Y1628 R1629 I1630 L1636	L1413-L1609 HydrophobicContact CD2-CD1 4.28Å; V1437-L1609 HydrophobicContact CG1-CD1 4.37Å; V1437-L1609 HydrophobicContact CG2-CD1 4.4Å; V1437-L1609 HydrophobicContact CG2-CD2 3.76Å; M1578-L1609 HydrophobicContact CE-CD2 3.52Å; M1578-L1609 HydrophobicContact CG-CD2 4.46Å; M1578-L1609 HydrophobicContact SD-CD2 3.68Å; T1601-L1609 CarbonylContact C-O 3.47Å; T1601-L1609 VanDerWaalsContact CA-O 3.24Å; T1601-L1609 WeakPolarHBondContact CA-O 3.35Å; V1602-L1609 HydrophobicContact CG1-CD2 4.34Å; V1602-L1609 PolarHBondContact N-O 3.28Å; V1602-L1609 WeakPolarHBondContact O-CB 3.29Å; V1602-L1609 PolarHBondContact O-N 3.19Å; A1604-L1609 HydrophobicContact CB-CD1 3.75Å; A1604-L1609 VanDerWaalsContact CB-CD1 3.47Å; A1604-L1609 HydrophobicContact CB-CD2 3.58Å; A1604-L1609 HydrophobicContact CB-CG 4.2Å; A1604-L1609 WeakPolarHBondContact O-CD1 3.5Å; N1605-L1609 VanDerWaalsContact O-CD1 3.26Å; N1605-L1609 WeakPolarHBondContact O-CD1 3.42Å; E1607-L1609 PolarHBondContact O-N 2.96Å; L1609-I1627 HydrophobicContact CB-CG2 3.9Å; L1609-I1627 HydrophobicContact CD1-CG2 4.01Å; L1609-I1627 HydrophobicContact CD2-CG2 4.5Å; L1609-I1627 HydrophobicContact CG-CG2 4.1Å; L1609-I1627 WeakPolarHBondContact O-CA 3.3Å; L1609-I1627 WeakPolarHBondContact O-CG2 3.28Å; L1609-Y1628 CarbonylContact C-O 3.5Å; L1609-Y1628 VanDerWaalsContact CA-O 3.22Å; L1609-Y1628 WeakPolarHBondContact CA-O 3.28Å; L1609-Y1628 PolarHBondContact N-O 3.2Å; L1609-Y1628 PolarHBondContact O-N 2.9Å; L1609-Y1628 VanDerWaalsContact O-N 3.08Å; L1609-R1629 HydrophobicContact CD2-CB 3.83Å; L1609-R1629 HydrophobicContact CD2-CG 3.97Å; L1609-R1629 WeakPolarHBondContact O-CA 3.37Å; L1609-I1630 HydrophobicContact CB-CD1 4.48Å; L1609-I1630 HydrophobicContact CD1-CD1 3.33Å; L1609-I1630 HydrophobicContact CD1-CG1 4.13Å; L1609-I1630 HydrophobicContact CD2-CD1 4.2Å; L1609-I1630 HydrophobicContact CG-CD1 3.49Å; L1609-I1630 VanDerWaalsContact CG-CD1 3.49Å; L1609-I1630 HydrophobicContact CG-CG1 3.99Å; L1609-L1636 HydrophobicContact CD1-CB 4.1Å; L1609-L1636 HydrophobicContact CD1-CD1 3.82Å; L1609-L1636 HydrophobicContact CD1-CD2 3.7Å; L1609-L1636 HydrophobicContact CD1-CG 4.07Å
1610	F	58.1	Low	49	Very low	32.2 Å²	32.2	70.9 Å²	70.9	14%	0.141	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.9	177.2	-81.5	-92.7	0	0	0	109.2	L1434 P1574 H1577 F1579 L1599 T1601 K1608 L1612 P1625 I1627 Y1628 R1629 I1630 L1636 I1644	L1434-F1610 HydrophobicContact CD2-CE1 4.12Å; L1434-F1610 HydrophobicContact CD2-CZ 4.08Å; P1574-F1610 HydrophobicContact CB-CZ 4.24Å; P1574-F1610 HydrophobicContact CG-CE1 3.87Å; P1574-F1610 HydrophobicContact CG-CE2 3.73Å; P1574-F1610 HydrophobicContact CG-CZ 3.79Å; H1577-F1610 AromaticContact CD2-CZ 3.63Å; H1577-F1610 AromaticContact NE2-CZ 3.98Å; F1579-F1610 HydrophobicContact CE2-CD1 4.33Å; F1579-F1610 AromaticContact CE2-CE1 3.75Å; F1579-F1610 HydrophobicContact CE2-CE1 3.75Å; F1579-F1610 AromaticContact CZ-CD1 3.89Å; F1579-F1610 HydrophobicContact CZ-CD1 3.89Å; F1579-F1610 AromaticContact CZ-CE1 3.53Å; F1579-F1610 HydrophobicContact CZ-CE1 3.53Å; L1599-F1610 HydrophobicContact CD1-CB 4.48Å; L1599-F1610 HydrophobicContact CD1-CD1 4.47Å; T1601-F1610 HydrophobicContact CG2-CD1 3.61Å; T1601-F1610 HydrophobicContact CG2-CD2 4.25Å; T1601-F1610 HydrophobicContact CG2-CE1 3.41Å; T1601-F1610 VanDerWaalsContact CG2-CE1 3.41Å; T1601-F1610 HydrophobicContact CG2-CE2 4.05Å; T1601-F1610 HydrophobicContact CG2-CG 4.03Å; T1601-F1610 HydrophobicContact CG2-CZ 3.62Å; K1608-F1610 HydrophobicContact CB-CE2 4.39Å; K1608-F1610 WeakPolarHBondContact O-CD2 3.25Å; F1610-L1612 HydrophobicContact CD1-CD1 4.43Å; F1610-L1612 HydrophobicContact CD1-CG 4.26Å; F1610-L1612 HydrophobicContact CD2-CD1 3.61Å; F1610-L1612 HydrophobicContact CE1-CD1 3.75Å; F1610-L1612 HydrophobicContact CE1-CD2 4.02Å; F1610-L1612 HydrophobicContact CE1-CG 3.65Å; F1610-L1612 HydrophobicContact CE2-CD1 3.44Å; F1610-L1612 VanDerWaalsContact CE2-CD1 3.44Å; F1610-L1612 HydrophobicContact CZ-CD2 4.17Å; F1610-L1612 HydrophobicContact CZ-CG 4.29Å; F1610-L1612 PolarHBondContact O-N 2.86Å; F1610-P1625 HydrophobicContact CD2-CB 4.12Å; F1610-P1625 HydrophobicContact CE1-CB 4.29Å; F1610-P1625 HydrophobicContact CE2-CB 3.37Å; F1610-P1625 HydrophobicContact CE2-CG 3.92Å; F1610-P1625 HydrophobicContact CZ-CB 3.47Å; F1610-P1625 VanDerWaalsContact CZ-CB 3.47Å; F1610-P1625 HydrophobicContact CZ-CG 4.02Å; F1610-I1627 HydrophobicContact CB-CG2 3.91Å; F1610-I1627 HydrophobicContact CD1-CG2 3.35Å; F1610-I1627 HydrophobicContact CD2-CG1 4Å; F1610-I1627 HydrophobicContact CE1-CG2 4.13Å; F1610-I1627 HydrophobicContact CG-CG2 3.9Å; F1610-I1627 CarbonylContact O-C 3.49Å; F1610-I1627 WeakPolarHBondContact O-CA 3.35Å; F1610-Y1628 WeakPolarHBondContact CA-O 3.19Å; F1610-Y1628 VanDerWaalsContact CD1-O 3.28Å; F1610-Y1628 WeakPolarHBondContact CD1-O 3.39Å; F1610-Y1628 HydrophobicContact CD2-CD2 4.28Å; F1610-Y1628 HydrophobicContact CE1-CG 4.21Å; F1610-Y1628 AromaticContact CE2-CD2 3.73Å; F1610-Y1628 HydrophobicContact CE2-CD2 3.73Å; F1610-Y1628 AromaticContact CE2-CG 3.94Å; F1610-Y1628 HydrophobicContact CE2-CG 3.94Å; F1610-Y1628 HydrophobicContact CZ-CD2 4.01Å; F1610-Y1628 AromaticContact CZ-CG 3.71Å; F1610-Y1628 HydrophobicContact CZ-CG 3.71Å; F1610-Y1628 PolarHBondContact N-O 2.82Å; F1610-Y1628 PolarHBondContact O-N 3.29Å; F1610-R1629 HydrophobicContact CD1-CB 4.33Å; F1610-R1629 HydrophobicContact CE1-CB 4.07Å; F1610-R1629 HydrophobicContact CE1-CG 4.33Å; F1610-I1630 HydrophobicContact CB-CD1 4.3Å; F1610-I1630 HydrophobicContact CD1-CD1 4.06Å; F1610-I1630 HydrophobicContact CD1-CG1 3.53Å; F1610-I1630 HydrophobicContact CD2-CB 3.77Å; F1610-I1630 HydrophobicContact CD2-CD1 3.38Å; F1610-I1630 HydrophobicContact CD2-CG1 3.56Å; F1610-I1630 VanDerWaalsContact CD2-CG1 3.43Å; F1610-I1630 HydrophobicContact CE1-CD1 4.07Å; F1610-I1630 HydrophobicContact CE1-CG1 3.29Å; F1610-I1630 HydrophobicContact CE2-CB 3.6Å; F1610-I1630 HydrophobicContact CE2-CD1 3.38Å; F1610-I1630 HydrophobicContact CE2-CG1 3.83Å; F1610-I1630 HydrophobicContact CE2-CG2 3.99Å; F1610-I1630 HydrophobicContact CG-CD1 3.82Å; F1610-I1630 HydrophobicContact CG-CG1 4.26Å; F1610-I1630 HydrophobicContact CZ-CD1 3.8Å; F1610-I1630 HydrophobicContact CZ-CG1 4.4Å; F1610-L1636 HydrophobicContact CD2-CD2 3.74Å; F1610-L1636 HydrophobicContact CE1-CD1 3.79Å; F1610-L1636 HydrophobicContact CE1-CD2 4.25Å; F1610-L1636 HydrophobicContact CE2-CD1 4.05Å; F1610-L1636 HydrophobicContact CE2-CD2 3.39Å; F1610-L1636 HydrophobicContact CE2-CG 4.36Å; F1610-L1636 HydrophobicContact CG-CD2 4.3Å; F1610-L1636 HydrophobicContact CZ-CD1 3.41Å; F1610-L1636 VanDerWaalsContact CZ-CD1 3.41Å; F1610-L1636 HydrophobicContact CZ-CD2 3.68Å; F1610-L1636 HydrophobicContact CZ-CG 4.19Å; F1610-I1644 HydrophobicContact CE2-CD1 4.28Å; F1610-I1644 HydrophobicContact CE2-CG2 4.33Å; F1610-I1644 HydrophobicContact CZ-CG2 4.26Å
1611	V	54.5	Low	48.3	Very low	31.6 Å²	31.6	71.6 Å²	71.6	19%	0.192	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120	179.9	-176.2	0	0	0	0	108.8	M1578 L1599 T1600 V1602 A1613 P1625 H1626 I1627 Y1628 I1630 L1636 L1638 I1644	M1578-V1611 HydrophobicContact SD-CG2 3.94Å; L1599-V1611 WeakPolarHBondContact CA-O 3.23Å; T1600-V1611 HydrophobicContact CG2-CB 3.88Å; T1600-V1611 HydrophobicContact CG2-CG1 4.44Å; T1600-V1611 HydrophobicContact CG2-CG2 4.47Å; T1600-V1611 PolarHBondContact N-O 3.01Å; T1600-V1611 PolarHBondContact O-N 3.2Å; V1602-V1611 HydrophobicContact CB-CG2 4.49Å; V1602-V1611 HydrophobicContact CG2-CG2 3.79Å; V1611-A1613 PolarHBondContact O-N 2.82Å; V1611-P1625 HydrophobicContact CG1-CB 3.75Å; V1611-H1626 CarbonylContact C-O 3.6Å; V1611-H1626 WeakPolarHBondContact CA-O 3.32Å; V1611-H1626 PolarHBondContact N-O 3.19Å; V1611-H1626 PolarHBondContact O-N 3.32Å; V1611-I1627 HydrophobicContact CG1-CG1 4.46Å; V1611-I1627 HydrophobicContact CG2-CG1 4.27Å; V1611-I1627 HydrophobicContact CG2-CG2 4.38Å; V1611-I1627 WeakPolarHBondContact O-CA 3.28Å; V1611-Y1628 HydrophobicContact CB-CD2 4.23Å; V1611-Y1628 HydrophobicContact CB-CE2 4.01Å; V1611-Y1628 HydrophobicContact CG2-CD2 3.76Å; V1611-Y1628 HydrophobicContact CG2-CE2 3.96Å; V1611-Y1628 PolarHBondContact N-O 3.5Å; V1611-Y1628 PolarHBondContact O-N 3.38Å; V1611-I1630 HydrophobicContact CG2-CD1 3.94Å; V1611-I1630 HydrophobicContact CG2-CG1 4.43Å; V1611-L1636 HydrophobicContact CB-CD1 4.34Å; V1611-L1636 HydrophobicContact CG2-CD1 3.81Å; V1611-L1636 HydrophobicContact CG2-CD2 4.14Å; V1611-L1638 HydrophobicContact CG1-CD2 4.47Å; V1611-I1644 HydrophobicContact CG1-CD1 4.29Å; V1611-I1644 HydrophobicContact CG2-CD1 4.4Å
1612	L	55.4	Low	47.4	Very low	33 Å²	33	76 Å²	76	17%	0.173	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	104.2	175.6	-136.7	106.6	0	0	0	109.3	F1428 T1597 L1598 L1599 F1610 S1614 F1622 P1625 H1626 I1627 Y1628 L1638 I1644	F1428-L1612 HydrophobicContact CE1-CD2 4.01Å; F1428-L1612 HydrophobicContact CE2-CD2 4.32Å; F1428-L1612 HydrophobicContact CZ-CD2 3.8Å; T1597-L1612 HydrophobicContact CG2-CD1 3.56Å; T1597-L1612 HydrophobicContact CG2-CD2 4.15Å; T1597-L1612 HydrophobicContact CG2-CG 3.77Å; L1598-L1612 WeakPolarHBondContact O-CA 3.06Å; L1599-L1612 HydrophobicContact CD1-CB 4.23Å; L1599-L1612 HydrophobicContact CD1-CD1 4.04Å; F1610-L1612 HydrophobicContact CD1-CD1 4.43Å; F1610-L1612 HydrophobicContact CD1-CG 4.26Å; F1610-L1612 HydrophobicContact CD2-CD1 3.61Å; F1610-L1612 HydrophobicContact CE1-CD1 3.75Å; F1610-L1612 HydrophobicContact CE1-CD2 4.02Å; F1610-L1612 HydrophobicContact CE1-CG 3.65Å; F1610-L1612 HydrophobicContact CE2-CD1 3.44Å; F1610-L1612 VanDerWaalsContact CE2-CD1 3.44Å; F1610-L1612 HydrophobicContact CZ-CD2 4.17Å; F1610-L1612 HydrophobicContact CZ-CG 4.29Å; F1610-L1612 PolarHBondContact O-N 2.86Å; L1612-S1614 PolarHBondContact O-N 3.11Å; L1612-S1614 VanDerWaalsContact O-N 3.17Å; L1612-F1622 HydrophobicContact CD2-CZ 4.25Å; L1612-P1625 HydrophobicContact CD1-CB 3.74Å; L1612-P1625 HydrophobicContact CD1-CG 4.32Å; L1612-P1625 HydrophobicContact CD2-CB 4.11Å; L1612-P1625 HydrophobicContact CD2-CG 4.45Å; L1612-P1625 HydrophobicContact CG-CB 3.89Å; L1612-P1625 CarbonylContact O-C 3.59Å; L1612-P1625 VanDerWaalsContact O-CA 3.3Å; L1612-P1625 WeakPolarHBondContact O-CA 3.4Å; L1612-H1626 WeakPolarHBondContact CA-O 3.32Å; L1612-H1626 PolarHBondContact N-O 2.88Å; L1612-H1626 PolarHBondContact O-N 2.87Å; L1612-I1627 HydrophobicContact CD1-CD1 4.17Å; L1612-I1627 HydrophobicContact CD1-CG1 3.58Å; L1612-Y1628 HydrophobicContact CB-CD2 4.42Å; L1612-Y1628 HydrophobicContact CB-CE2 4.15Å; L1612-Y1628 HydrophobicContact CD1-CD2 3.91Å; L1612-Y1628 HydrophobicContact CD1-CE2 3.85Å; L1612-Y1628 HydrophobicContact CD2-CE2 4.39Å; L1612-L1638 HydrophobicContact CD1-CD1 4.16Å; L1612-L1638 HydrophobicContact CD1-CD2 4.23Å; L1612-L1638 HydrophobicContact CD2-CD1 4.24Å; L1612-L1638 HydrophobicContact CG-CD1 4.33Å; L1612-I1644 HydrophobicContact CB-CD1 4.38Å; L1612-I1644 HydrophobicContact CD1-CD1 3.68Å; L1612-I1644 HydrophobicContact CD1-CG1 4.27Å; L1612-I1644 HydrophobicContact CD2-CD1 3.91Å; L1612-I1644 HydrophobicContact CD2-CG1 3.92Å; L1612-I1644 HydrophobicContact CG-CD1 4.24Å
1613	A	53.7	Low	47.2	Very low	33.6 Å²	33.6	75.3 Å²	75.3	28%	0.278	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	114.6	172.6	0	0	0	0	0	110.1	L1598 V1611 G1615 F1622 S1623 P1625 H1626 Y1628 I1644	L1598-A1613 HydrophobicContact CB-CB 4.2Å; L1598-A1613 PolarHBondContact N-O 3.08Å; L1598-A1613 PolarHBondContact O-N 3.27Å; V1611-A1613 PolarHBondContact O-N 2.82Å; A1613-G1615 PolarHBondContact O-N 3.08Å; A1613-G1615 VanDerWaalsContact O-N 3.12Å; A1613-F1622 VanDerWaalsContact O-CE2 3.31Å; A1613-F1622 WeakPolarHBondContact O-CE2 3.31Å; A1613-S1623 VanDerWaalsContact CB-OG 3.3Å; A1613-S1623 WeakPolarHBondContact CB-OG 3.4Å; A1613-S1623 PolarHBondContact O-OG 3.07Å; A1613-P1625 HydrophobicContact CB-CB 4.37Å; A1613-P1625 CarbonylContact O-C 3.55Å; A1613-P1625 WeakPolarHBondContact O-CA 3.16Å; A1613-H1626 WeakPolarHBondContact CB-CD2 3.24Å; A1613-H1626 PolarHBondContact N-O 3.49Å; A1613-H1626 PolarHBondContact O-N 3.2Å; A1613-Y1628 HydrophobicContact CB-CE2 4.12Å; A1613-I1644 HydrophobicContact CB-CD1 3.78Å
1614	S	48	Very low	46.7	Very low	44.8 Å²	44.8	70.5 Å²	70.5	31%	0.313	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	113	169	-168.7	0	0	0	0	109.7	L1612 A1616 S1623	L1612-S1614 PolarHBondContact O-N 3.11Å; L1612-S1614 VanDerWaalsContact O-N 3.17Å; S1614-A1616 PolarHBondContact O-N 3.41Å; S1614-S1623 WeakPolarHBondContact CB-O 3.4Å
1615	G	41.4	Very low	46.8	Very low	29 Å²	29	72.8 Å²	72.8	30%	0.299	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-67.5	117.9	167.3	0	0	0	0	0	110	H1595 S1596 A1613 N1617 S1621 S1623	H1595-G1615 PolarHBondContact ND1-O 3.34Å; S1596-G1615 PolarHBondContact O-N 3.09Å; S1596-G1615 VanDerWaalsContact O-N 3.12Å; A1613-G1615 PolarHBondContact O-N 3.08Å; A1613-G1615 VanDerWaalsContact O-N 3.12Å; G1615-N1617 PolarHBondContact O-N 2.97Å; G1615-N1617 VanDerWaalsContact O-N 3.11Å; G1615-S1621 VanDerWaalsContact O-O 3.12Å; G1615-S1623 VanDerWaalsContact CA-OG 3.28Å; G1615-S1623 WeakPolarHBondContact CA-OG 3.18Å; G1615-S1623 PolarHBondContact N-OG 2.89Å; G1615-S1623 VanDerWaalsContact N-OG 3.1Å; G1615-S1623 PolarHBondContact O-N 3.17Å; G1615-S1623 VanDerWaalsContact O-N 3.07Å; G1615-S1623 PolarHBondContact O-OG 2.77Å
1616	A	36.3	Very low	46.9	Very low	68.4 Å²	68.4	69.2 Å²	69.2	57%	0.565	41%	0.413	S	S	*	.			trans	-61.6	118.6	176.9	0	0	0	0	0	110.9	H1595 S1614 F1622	H1595-A1616 PolarHBondContact CE1-O 2.66Å; H1595-A1616 PolarHBondContact ND1-O 2.84Å; S1614-A1616 PolarHBondContact O-N 3.41Å; A1616-F1622 HydrophobicContact CB-CD2 4.28Å
1617	N	39.6	Very low	47.3	Very low	68.6 Å²	68.6	67.6 Å²	67.6	37%	0.367	40%	0.396	S	S	.	.			trans	-65.4	165.3	172.9	-67.2	-28.9	0	0	0	110.6	G1615 D1619 D1620 S1621	G1615-N1617 PolarHBondContact O-N 2.97Å; G1615-N1617 VanDerWaalsContact O-N 3.11Å; N1617-D1619 VanDerWaalsContact C-N 3.27Å; N1617-D1619 WeakPolarHBondContact CB-O 3.14Å; N1617-D1619 PolarHBondContact O-N 2.97Å; N1617-D1619 VanDerWaalsContact O-N 3.14Å; N1617-D1620 PolarHBondContact O-N 3.48Å; N1617-S1621 WeakPolarHBondContact CB-O 3.19Å; N1617-S1621 WeakPolarHBondContact CB-OG 3.34Å; N1617-S1621 PolarHBondContact N-O 3.34Å; N1617-S1621 PolarHBondContact ND2-O 2.85Å; N1617-S1621 PolarHBondContact ND2-OG 2.99Å
1618	S	39.4	Very low	47.6	Very low	113 Å²	113	64.2 Å²	64.2	79%	0.79	38%	0.379	S	S	*	.	S	Bend	trans	-63.1	-21.5	171.1	46.7	0	0	0	0	113.4
1619	D	39.3	Very low	48	Very low	120 Å²	120	66.3 Å²	66.3	64%	0.642	38%	0.384	S	S	*	.	S	Bend	trans	-100.3	97.4	179.9	-46.1	-37.3	0	0	0	109.9	N1617 S1621	N1617-D1619 VanDerWaalsContact C-N 3.27Å; N1617-D1619 WeakPolarHBondContact CB-O 3.14Å; N1617-D1619 PolarHBondContact O-N 2.97Å; N1617-D1619 VanDerWaalsContact O-N 3.14Å; D1619-S1621 PolarHBondContact O-N 2.95Å; D1619-S1621 PolarHBondContact O-OG 3.49Å
1620	D	37	Very low	48.3	Very low	154.8 Å²	154.8	65.6 Å²	65.6	83%	0.828	38%	0.381	S	S	*	.	S	Bend	trans	-20	7.7	-173	-82.4	-48.9	0	0	0	116.3	N1617 F1622	N1617-D1620 PolarHBondContact O-N 3.48Å; D1620-F1622 PolarHBondContact O-N 3.09Å; D1620-F1622 VanDerWaalsContact O-N 3.12Å
1621	S	34.1	Very low	48.4	Very low	67 Å²	67	67.1 Å²	67.1	47%	0.469	39%	0.394	S	S	.	.			trans	-70	101	172.4	47.7	0	0	0	0	111.8	G1615 N1617 D1619 S1623	G1615-S1621 VanDerWaalsContact O-O 3.12Å; N1617-S1621 WeakPolarHBondContact CB-O 3.19Å; N1617-S1621 WeakPolarHBondContact CB-OG 3.34Å; N1617-S1621 PolarHBondContact N-O 3.34Å; N1617-S1621 PolarHBondContact ND2-O 2.85Å; N1617-S1621 PolarHBondContact ND2-OG 2.99Å; D1619-S1621 PolarHBondContact O-N 2.95Å; D1619-S1621 PolarHBondContact O-OG 3.49Å; S1621-S1623 PolarHBondContact O-N 3.24Å; S1621-S1623 VanDerWaalsContact O-N 3.08Å
1622	F	35.7	Very low	48.6	Very low	141 Å²	141	73.4 Å²	73.4	62%	0.618	42%	0.421	S	S	*	.			trans	-73.2	101.7	174	-160.8	-91.2	0	0	0	111.3	L1401 L1612 A1613 A1616 D1620 G1624	L1401-F1622 HydrophobicContact CD1-CE2 3.97Å; L1401-F1622 HydrophobicContact CD2-CE2 3.82Å; L1401-F1622 HydrophobicContact CD2-CZ 4.35Å; L1612-F1622 HydrophobicContact CD2-CZ 4.25Å; A1613-F1622 VanDerWaalsContact O-CE2 3.31Å; A1613-F1622 WeakPolarHBondContact O-CE2 3.31Å; A1616-F1622 HydrophobicContact CB-CD2 4.28Å; D1620-F1622 PolarHBondContact O-N 3.09Å; D1620-F1622 VanDerWaalsContact O-N 3.12Å; F1622-G1624 PolarHBondContact O-N 3.04Å
1623	S	46.7	Very low	48.6	Very low	35.2 Å²	35.2	77.6 Å²	77.6	25%	0.246	44%	0.443	C	S	.	.			trans	-68.8	120.6	163.2	144.9	0	0	0	0	108.8	A1613 S1614 G1615 S1621 H1626	A1613-S1623 VanDerWaalsContact CB-OG 3.3Å; A1613-S1623 WeakPolarHBondContact CB-OG 3.4Å; A1613-S1623 PolarHBondContact O-OG 3.07Å; S1614-S1623 WeakPolarHBondContact CB-O 3.4Å; G1615-S1623 VanDerWaalsContact CA-OG 3.28Å; G1615-S1623 WeakPolarHBondContact CA-OG 3.18Å; G1615-S1623 PolarHBondContact N-OG 2.89Å; G1615-S1623 VanDerWaalsContact N-OG 3.1Å; G1615-S1623 PolarHBondContact O-N 3.17Å; G1615-S1623 VanDerWaalsContact O-N 3.07Å; G1615-S1623 PolarHBondContact O-OG 2.77Å; S1621-S1623 PolarHBondContact O-N 3.24Å; S1621-S1623 VanDerWaalsContact O-N 3.08Å; S1623-H1626 PolarHBondContact OG-CD2 2.73Å; S1623-H1626 PolarHBondContact OG-CE1 2.95Å; S1623-H1626 VanDerWaalsContact OG-CE1 3.26Å; S1623-H1626 PolarHBondContact OG-NE2 3.2Å
1624	G	43.5	Very low	48.8	Very low	31.8 Å²	31.8	76.4 Å²	76.4	33%	0.328	43%	0.434	S	S	.	.			trans	-63.7	169.1	-179.4	0	0	0	0	0	113.3	F1622 H1626	F1622-G1624 PolarHBondContact O-N 3.04Å; G1624-H1626 PolarHBondContact O-CD2 3.25Å; G1624-H1626 VanDerWaalsContact O-CD2 3.23Å; G1624-H1626 PolarHBondContact O-N 2.93Å; G1624-H1626 VanDerWaalsContact O-N 3.08Å
1625	P	51.8	Low	49.4	Very low	63.8 Å²	63.8	74.7 Å²	74.7	41%	0.414	42%	0.422	S	S	.	.			trans	-61.2	116.2	176.2	25.3	-33.3	0	0	0	110.9	F1610 V1611 L1612 A1613	F1610-P1625 HydrophobicContact CD2-CB 4.12Å; F1610-P1625 HydrophobicContact CE1-CB 4.29Å; F1610-P1625 HydrophobicContact CE2-CB 3.37Å; F1610-P1625 HydrophobicContact CE2-CG 3.92Å; F1610-P1625 HydrophobicContact CZ-CB 3.47Å; F1610-P1625 VanDerWaalsContact CZ-CB 3.47Å; F1610-P1625 HydrophobicContact CZ-CG 4.02Å; V1611-P1625 HydrophobicContact CG1-CB 3.75Å; L1612-P1625 HydrophobicContact CD1-CB 3.74Å; L1612-P1625 HydrophobicContact CD1-CG 4.32Å; L1612-P1625 HydrophobicContact CD2-CB 4.11Å; L1612-P1625 HydrophobicContact CD2-CG 4.45Å; L1612-P1625 HydrophobicContact CG-CB 3.89Å; L1612-P1625 CarbonylContact O-C 3.59Å; L1612-P1625 VanDerWaalsContact O-CA 3.3Å; L1612-P1625 WeakPolarHBondContact O-CA 3.4Å; A1613-P1625 HydrophobicContact CB-CB 4.37Å; A1613-P1625 CarbonylContact O-C 3.55Å; A1613-P1625 WeakPolarHBondContact O-CA 3.16Å
1626	H	54.7	Low	50.4	Low	55.8 Å²	55.8	73.6 Å²	73.6	26%	0.258	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.4	177.4	-67.3	-85.6	0	0	0	109.7	F1428 E1436 V1611 L1612 A1613 S1623 G1624 Y1628	F1428-H1626 AromaticContact CE2-CD2 3.96Å; F1428-H1626 AromaticContact CE2-NE2 3.93Å; E1436-H1626 IonicContact OE1-CE1 3.68Å; E1436-H1626 PolarHBondContact OE1-CE1 2.91Å; E1436-H1626 IonicContact OE1-CG 3.7Å; E1436-H1626 IonicContact OE1-ND1 2.73Å; E1436-H1626 PolarHBondContact OE1-ND1 3.03Å; V1611-H1626 CarbonylContact C-O 3.6Å; V1611-H1626 WeakPolarHBondContact CA-O 3.32Å; V1611-H1626 PolarHBondContact N-O 3.19Å; V1611-H1626 PolarHBondContact O-N 3.32Å; L1612-H1626 WeakPolarHBondContact CA-O 3.32Å; L1612-H1626 PolarHBondContact N-O 2.88Å; L1612-H1626 PolarHBondContact O-N 2.87Å; A1613-H1626 WeakPolarHBondContact CB-CD2 3.24Å; A1613-H1626 PolarHBondContact N-O 3.49Å; A1613-H1626 PolarHBondContact O-N 3.2Å; S1623-H1626 PolarHBondContact OG-CD2 2.73Å; S1623-H1626 PolarHBondContact OG-CE1 2.95Å; S1623-H1626 VanDerWaalsContact OG-CE1 3.26Å; S1623-H1626 PolarHBondContact OG-NE2 3.2Å; G1624-H1626 PolarHBondContact O-CD2 3.25Å; G1624-H1626 VanDerWaalsContact O-CD2 3.23Å; G1624-H1626 PolarHBondContact O-N 2.93Å; G1624-H1626 VanDerWaalsContact O-N 3.08Å; H1626-Y1628 HydrophobicContact CB-CD2 4.34Å; H1626-Y1628 HydrophobicContact CB-CE2 3.6Å; H1626-Y1628 VanDerWaalsContact CB-CE2 3.48Å
1627	I	58.4	Low	51.6	Low	59.2 Å²	59.2	70.5 Å²	70.5	30%	0.304	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.4	-179	-58.9	176.6	0	0	0	108.6	V1437 L1609 F1610 V1611 L1612	V1437-I1627 HydrophobicContact CB-CB 4.26Å; V1437-I1627 HydrophobicContact CB-CG2 4.2Å; V1437-I1627 PolarHBondContact N-O 2.94Å; L1609-I1627 HydrophobicContact CB-CG2 3.9Å; L1609-I1627 HydrophobicContact CD1-CG2 4.01Å; L1609-I1627 HydrophobicContact CD2-CG2 4.5Å; L1609-I1627 HydrophobicContact CG-CG2 4.1Å; L1609-I1627 WeakPolarHBondContact O-CA 3.3Å; L1609-I1627 WeakPolarHBondContact O-CG2 3.28Å; F1610-I1627 HydrophobicContact CB-CG2 3.91Å; F1610-I1627 HydrophobicContact CD1-CG2 3.35Å; F1610-I1627 HydrophobicContact CD2-CG1 4Å; F1610-I1627 HydrophobicContact CE1-CG2 4.13Å; F1610-I1627 HydrophobicContact CG-CG2 3.9Å; F1610-I1627 CarbonylContact O-C 3.49Å; F1610-I1627 WeakPolarHBondContact O-CA 3.35Å; V1611-I1627 HydrophobicContact CG1-CG1 4.46Å; V1611-I1627 HydrophobicContact CG2-CG1 4.27Å; V1611-I1627 HydrophobicContact CG2-CG2 4.38Å; V1611-I1627 WeakPolarHBondContact O-CA 3.28Å; L1612-I1627 HydrophobicContact CD1-CD1 4.17Å; L1612-I1627 HydrophobicContact CD1-CG1 3.58Å
1628	Y	61	Low	52.6	Low	41 Å²	41	68.6 Å²	68.6	16%	0.161	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.6	-179.6	-63.5	-85.5	0	0	0	110.8	L1434 E1435 E1436 L1609 F1610 V1611 L1612 A1613 H1626 L1636 I1644	L1434-Y1628 HydrophobicContact CB-CD1 4.42Å; E1435-Y1628 WeakPolarHBondContact O-CA 3.5Å; E1436-Y1628 HydrophobicContact CB-CE1 4.5Å; L1609-Y1628 CarbonylContact C-O 3.5Å; L1609-Y1628 VanDerWaalsContact CA-O 3.22Å; L1609-Y1628 WeakPolarHBondContact CA-O 3.28Å; L1609-Y1628 PolarHBondContact N-O 3.2Å; L1609-Y1628 PolarHBondContact O-N 2.9Å; L1609-Y1628 VanDerWaalsContact O-N 3.08Å; F1610-Y1628 WeakPolarHBondContact CA-O 3.19Å; F1610-Y1628 VanDerWaalsContact CD1-O 3.28Å; F1610-Y1628 WeakPolarHBondContact CD1-O 3.39Å; F1610-Y1628 HydrophobicContact CD2-CD2 4.28Å; F1610-Y1628 HydrophobicContact CE1-CG 4.21Å; F1610-Y1628 AromaticContact CE2-CD2 3.73Å; F1610-Y1628 HydrophobicContact CE2-CD2 3.73Å; F1610-Y1628 AromaticContact CE2-CG 3.94Å; F1610-Y1628 HydrophobicContact CE2-CG 3.94Å; F1610-Y1628 HydrophobicContact CZ-CD2 4.01Å; F1610-Y1628 AromaticContact CZ-CG 3.71Å; F1610-Y1628 HydrophobicContact CZ-CG 3.71Å; F1610-Y1628 PolarHBondContact N-O 2.82Å; F1610-Y1628 PolarHBondContact O-N 3.29Å; V1611-Y1628 HydrophobicContact CB-CD2 4.23Å; V1611-Y1628 HydrophobicContact CB-CE2 4.01Å; V1611-Y1628 HydrophobicContact CG2-CD2 3.76Å; V1611-Y1628 HydrophobicContact CG2-CE2 3.96Å; V1611-Y1628 PolarHBondContact N-O 3.5Å; V1611-Y1628 PolarHBondContact O-N 3.38Å; L1612-Y1628 HydrophobicContact CB-CD2 4.42Å; L1612-Y1628 HydrophobicContact CB-CE2 4.15Å; L1612-Y1628 HydrophobicContact CD1-CD2 3.91Å; L1612-Y1628 HydrophobicContact CD1-CE2 3.85Å; L1612-Y1628 HydrophobicContact CD2-CE2 4.39Å; A1613-Y1628 HydrophobicContact CB-CE2 4.12Å; H1626-Y1628 HydrophobicContact CB-CD2 4.34Å; H1626-Y1628 HydrophobicContact CB-CE2 3.6Å; H1626-Y1628 VanDerWaalsContact CB-CE2 3.48Å; Y1628-L1636 HydrophobicContact CD2-CD1 4.34Å; Y1628-L1636 HydrophobicContact CG-CD1 4.2Å; Y1628-I1644 HydrophobicContact CD1-CG2 4.43Å; Y1628-I1644 HydrophobicContact CD2-CD1 4.12Å; Y1628-I1644 HydrophobicContact CE1-CD1 4.36Å; Y1628-I1644 HydrophobicContact CE1-CG2 3.96Å; Y1628-I1644 HydrophobicContact CE2-CD1 3.59Å; Y1628-I1644 VanDerWaalsContact CE2-CD1 3.46Å; Y1628-I1644 HydrophobicContact CE2-CG2 4.45Å; Y1628-I1644 HydrophobicContact CG-CD1 4.38Å
1629	R	63.1	Low	53.4	Low	135.4 Å²	135.4	63.5 Å²	63.5	51%	0.511	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.1	169.3	-166.7	-178.1	-173.8	-162.4	1.4	109.2	E1435 V1437 E1607 L1609 F1610 P1631	E1435-R1629 HydrophobicContact CB-CB 4.28Å; E1435-R1629 PolarHBondContact O-N 3.04Å; E1435-R1629 WeakPolarHBondContact OE2-CD 3.33Å; E1435-R1629 IonicContact OE2-CZ 2.75Å; E1435-R1629 IonicContact OE2-NH1 3.29Å; E1435-R1629 PolarHBondContact OE2-NH1 3.46Å; V1437-R1629 HydrophobicContact CG2-CB 4.47Å; E1607-R1629 VanDerWaalsContact CD-NH2 3.26Å; E1607-R1629 WeakPolarHBondContact O-CA 3.43Å; E1607-R1629 WeakPolarHBondContact O-CG 3.31Å; E1607-R1629 IonicContact OE1-CZ 3.16Å; E1607-R1629 IonicContact OE1-NE 2.99Å; E1607-R1629 IonicContact OE1-NH2 3.52Å; E1607-R1629 PolarHBondContact OE1-NH2 2.85Å; E1607-R1629 IonicContact OE2-CZ 3.75Å; E1607-R1629 VanDerWaalsContact OE2-CZ 3.28Å; E1607-R1629 IonicContact OE2-NE 3.04Å; E1607-R1629 PolarHBondContact OE2-NE 2.95Å; E1607-R1629 VanDerWaalsContact OE2-NE 3.17Å; E1607-R1629 IonicContact OE2-NH2 3.22Å; E1607-R1629 PolarHBondContact OE2-NH2 3.27Å; L1609-R1629 HydrophobicContact CD2-CB 3.83Å; L1609-R1629 HydrophobicContact CD2-CG 3.97Å; L1609-R1629 WeakPolarHBondContact O-CA 3.37Å; F1610-R1629 HydrophobicContact CD1-CB 4.33Å; F1610-R1629 HydrophobicContact CE1-CB 4.07Å; F1610-R1629 HydrophobicContact CE1-CG 4.33Å; R1629-P1631 WeakPolarHBondContact O-CD 3.13Å
1630	I	62	Low	53.8	Low	18.6 Å²	18.6	61.4 Å²	61.4	10%	0.095	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-98.4	127.8	176.3	-56.8	-171.9	0	0	0	108.8	M1578 A1604 E1607 L1609 F1610 V1611 S1634 L1636 L1646	M1578-I1630 HydrophobicContact CB-CD1 4.45Å; M1578-I1630 HydrophobicContact CG-CD1 3.52Å; M1578-I1630 VanDerWaalsContact CG-CD1 3.49Å; M1578-I1630 HydrophobicContact SD-CD1 3.42Å; M1578-I1630 WeakPolarHBondContact SD-CD1 3.46Å; A1604-I1630 HydrophobicContact CB-CB 3.83Å; A1604-I1630 HydrophobicContact CB-CD1 4.09Å; A1604-I1630 HydrophobicContact CB-CG2 3.68Å; E1607-I1630 PolarHBondContact O-N 2.89Å; L1609-I1630 HydrophobicContact CB-CD1 4.48Å; L1609-I1630 HydrophobicContact CD1-CD1 3.33Å; L1609-I1630 HydrophobicContact CD1-CG1 4.13Å; L1609-I1630 HydrophobicContact CD2-CD1 4.2Å; L1609-I1630 HydrophobicContact CG-CD1 3.49Å; L1609-I1630 VanDerWaalsContact CG-CD1 3.49Å; L1609-I1630 HydrophobicContact CG-CG1 3.99Å; F1610-I1630 HydrophobicContact CB-CD1 4.3Å; F1610-I1630 HydrophobicContact CD1-CD1 4.06Å; F1610-I1630 HydrophobicContact CD1-CG1 3.53Å; F1610-I1630 HydrophobicContact CD2-CB 3.77Å; F1610-I1630 HydrophobicContact CD2-CD1 3.38Å; F1610-I1630 HydrophobicContact CD2-CG1 3.56Å; F1610-I1630 VanDerWaalsContact CD2-CG1 3.43Å; F1610-I1630 HydrophobicContact CE1-CD1 4.07Å; F1610-I1630 HydrophobicContact CE1-CG1 3.29Å; F1610-I1630 HydrophobicContact CE2-CB 3.6Å; F1610-I1630 HydrophobicContact CE2-CD1 3.38Å; F1610-I1630 HydrophobicContact CE2-CG1 3.83Å; F1610-I1630 HydrophobicContact CE2-CG2 3.99Å; F1610-I1630 HydrophobicContact CG-CD1 3.82Å; F1610-I1630 HydrophobicContact CG-CG1 4.26Å; F1610-I1630 HydrophobicContact CZ-CD1 3.8Å; F1610-I1630 HydrophobicContact CZ-CG1 4.4Å; V1611-I1630 HydrophobicContact CG2-CD1 3.94Å; V1611-I1630 HydrophobicContact CG2-CG1 4.43Å; I1630-S1634 VanDerWaalsContact CG2-O 3.28Å; I1630-S1634 WeakPolarHBondContact CG2-O 3.33Å; I1630-S1634 VanDerWaalsContact CG2-OG 3.28Å; I1630-S1634 WeakPolarHBondContact CG2-OG 3.31Å; I1630-L1636 HydrophobicContact CD1-CB 3.84Å; I1630-L1636 HydrophobicContact CD1-CD1 3.85Å; I1630-L1636 HydrophobicContact CD1-CG 4.24Å; I1630-L1636 HydrophobicContact CG1-CD1 4.16Å; I1630-L1636 HydrophobicContact CG1-CG 4.13Å; I1630-L1646 HydrophobicContact CD1-CD1 4.23Å; I1630-L1646 HydrophobicContact CG1-CD1 4.12Å; I1630-L1646 HydrophobicContact CG2-CD1 4Å
1631	P	61.2	Low	54.3	Low	64.4 Å²	64.4	57.1 Å²	57.1	42%	0.418	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-58.2	154	168.1	-23.1	33.4	0	0	0	112.6	G1433 H1546 R1629 S1634 L1646	G1433-P1631 WeakPolarHBondContact O-CG 3.31Å; H1546-P1631 PolarHBondContact CE1-O 2.65Å; R1629-P1631 WeakPolarHBondContact O-CD 3.13Å; P1631-S1634 WeakPolarHBondContact CB-OG 3.46Å; P1631-S1634 VanDerWaalsContact CD-OG 3.28Å; P1631-S1634 WeakPolarHBondContact CD-OG 3.35Å; P1631-S1634 VanDerWaalsContact O-CB 3.26Å; P1631-S1634 WeakPolarHBondContact O-CB 3.34Å; P1631-S1634 PolarHBondContact O-N 2.96Å; P1631-S1634 VanDerWaalsContact O-N 3.13Å; P1631-S1634 PolarHBondContact O-OG 2.9Å; P1631-L1646 HydrophobicContact CG-CD2 4.24Å
1632	Q	57.8	Low	54.9	Low	162.2 Å²	162.2	55.4 Å²	55.4	76%	0.758	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	151.5	168.7	-71.5	175.2	-33.7	0	0	110.6	H1546 S1634	H1546-Q1632 VanDerWaalsContact CE1-CA 3.46Å; H1546-Q1632 WeakPolarHBondContact CE1-CA 3.5Å; Q1632-S1634 PolarHBondContact O-N 3.21Å; Q1632-S1634 VanDerWaalsContact O-N 3.14Å; Q1632-S1634 PolarHBondContact O-OG 3.08Å
1633	D	56.4	Low	55.8	Low	121.4 Å²	121.4	51.6 Å²	51.6	65%	0.649	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	13.2	-179.8	-47.6	-34.9	0	0	0	115.8	S1545 H1546 K1649 A1650	S1545-D1633 WeakPolarHBondContact CA-OD1 3.38Å; S1545-D1633 WeakPolarHBondContact CB-OD1 3Å; H1546-D1633 PolarHBondContact CE1-N 2.9Å; D1633-K1649 CarbonylContact O-C 3.45Å; D1633-K1649 VanDerWaalsContact O-CA 3.26Å; D1633-K1649 WeakPolarHBondContact O-CA 3.37Å; D1633-A1650 PolarHBondContact O-N 2.69Å
1634	S	57.5	Low	56.5	Low	10 Å²	10	50.9 Å²	50.9	7%	0.07	28%	0.275	C	S	.	.			trans	-111.2	150.9	-180	30.6	0	0	0	0	113.1	H1546 H1577 A1604 I1630 P1631 Q1632 L1647	H1546-S1634 WeakPolarHBondContact CB-O 3.48Å; H1546-S1634 PolarHBondContact ND1-N 3.48Å; H1546-S1634 PolarHBondContact ND1-O 3.13Å; H1577-S1634 PolarHBondContact CD2-O 3.21Å; A1604-S1634 PolarHBondContact N-O 3.32Å; I1630-S1634 VanDerWaalsContact CG2-O 3.28Å; I1630-S1634 WeakPolarHBondContact CG2-O 3.33Å; I1630-S1634 VanDerWaalsContact CG2-OG 3.28Å; I1630-S1634 WeakPolarHBondContact CG2-OG 3.31Å; P1631-S1634 WeakPolarHBondContact CB-OG 3.46Å; P1631-S1634 VanDerWaalsContact CD-OG 3.28Å; P1631-S1634 WeakPolarHBondContact CD-OG 3.35Å; P1631-S1634 VanDerWaalsContact O-CB 3.26Å; P1631-S1634 WeakPolarHBondContact O-CB 3.34Å; P1631-S1634 PolarHBondContact O-N 2.96Å; P1631-S1634 VanDerWaalsContact O-N 3.13Å; P1631-S1634 PolarHBondContact O-OG 2.9Å; Q1632-S1634 PolarHBondContact O-N 3.21Å; Q1632-S1634 VanDerWaalsContact O-N 3.14Å; Q1632-S1634 PolarHBondContact O-OG 3.08Å; S1634-L1647 CarbonylContact C-O 3.52Å; S1634-L1647 VanDerWaalsContact CA-O 3.25Å; S1634-L1647 WeakPolarHBondContact CA-O 3.38Å; S1634-L1647 VanDerWaalsContact CB-O 3.29Å; S1634-L1647 WeakPolarHBondContact CB-O 3.34Å
1635	A	60.2	Low	57.4	Low	7.6 Å²	7.6	51.9 Å²	51.9	6%	0.063	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	155.1	176.7	0	0	0	0	0	111.9	A1547 I1573 F1579 V1602 L1647	A1547-A1635 VanDerWaalsContact C-CB 3.47Å; A1547-A1635 WeakPolarHBondContact O-CB 3.39Å; I1573-A1635 HydrophobicContact CB-CB 4.49Å; I1573-A1635 HydrophobicContact CD1-CB 3.34Å; I1573-A1635 HydrophobicContact CG1-CB 4.05Å; I1573-A1635 HydrophobicContact CG2-CB 3.89Å; F1579-A1635 HydrophobicContact CD2-CB 4.07Å; V1602-A1635 VanDerWaalsContact O-CA 3.3Å; V1602-A1635 WeakPolarHBondContact O-CA 3.2Å; A1635-L1647 HydrophobicContact CB-CB 4.28Å; A1635-L1647 HydrophobicContact CB-CD1 4.47Å; A1635-L1647 PolarHBondContact N-O 2.94Å; A1635-L1647 WeakPolarHBondContact O-CA 3.24Å; A1635-L1647 WeakPolarHBondContact O-CB 3.49Å; A1635-L1647 PolarHBondContact O-N 3.16Å
1636	L	61.8	Low	58.1	Low	6.4 Å²	6.4	50.9 Å²	50.9	3%	0.034	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.9	174.1	-156.3	140.8	0	0	0	110.8	L1434 C1548 V1549 F1579 T1601 V1602 L1609 F1610 V1611 Y1628 I1630 L1638 I1644 H1645 L1646	L1434-L1636 HydrophobicContact CD2-CD1 4.21Å; L1434-L1636 HydrophobicContact CD2-CD2 3.77Å; C1548-L1636 CarbonylContact C-O 3.59Å; C1548-L1636 PolarHBondContact SG-O 3.39Å; V1549-L1636 PolarHBondContact N-O 3.17Å; V1549-L1636 VanDerWaalsContact N-O 3.09Å; F1579-L1636 CarbonylContact C-O 3.58Å; F1579-L1636 WeakPolarHBondContact CA-O 3.32Å; F1579-L1636 WeakPolarHBondContact CB-O 3.22Å; F1579-L1636 HydrophobicContact CE1-CB 4.06Å; F1579-L1636 HydrophobicContact CE1-CD2 3.99Å; F1579-L1636 WeakPolarHBondContact CE1-O 3.19Å; F1579-L1636 PolarHBondContact N-O 3.17Å; F1579-L1636 CarbonylContact O-C 3.09Å; T1601-L1636 WeakPolarHBondContact CA-O 3.39Å; V1602-L1636 PolarHBondContact O-N 3.06Å; L1609-L1636 HydrophobicContact CD1-CB 4.1Å; L1609-L1636 HydrophobicContact CD1-CD1 3.82Å; L1609-L1636 HydrophobicContact CD1-CD2 3.7Å; L1609-L1636 HydrophobicContact CD1-CG 4.07Å; F1610-L1636 HydrophobicContact CD2-CD2 3.74Å; F1610-L1636 HydrophobicContact CE1-CD1 3.79Å; F1610-L1636 HydrophobicContact CE1-CD2 4.25Å; F1610-L1636 HydrophobicContact CE2-CD1 4.05Å; F1610-L1636 HydrophobicContact CE2-CD2 3.39Å; F1610-L1636 HydrophobicContact CE2-CG 4.36Å; F1610-L1636 HydrophobicContact CG-CD2 4.3Å; F1610-L1636 HydrophobicContact CZ-CD1 3.41Å; F1610-L1636 VanDerWaalsContact CZ-CD1 3.41Å; F1610-L1636 HydrophobicContact CZ-CD2 3.68Å; F1610-L1636 HydrophobicContact CZ-CG 4.19Å; V1611-L1636 HydrophobicContact CB-CD1 4.34Å; V1611-L1636 HydrophobicContact CG2-CD1 3.81Å; V1611-L1636 HydrophobicContact CG2-CD2 4.14Å; Y1628-L1636 HydrophobicContact CD2-CD1 4.34Å; Y1628-L1636 HydrophobicContact CG-CD1 4.2Å; I1630-L1636 HydrophobicContact CD1-CB 3.84Å; I1630-L1636 HydrophobicContact CD1-CD1 3.85Å; I1630-L1636 HydrophobicContact CD1-CG 4.24Å; I1630-L1636 HydrophobicContact CG1-CD1 4.16Å; I1630-L1636 HydrophobicContact CG1-CG 4.13Å; L1636-L1638 HydrophobicContact CD2-CD1 4.22Å; L1636-L1638 HydrophobicContact CD2-CD2 3.72Å; L1636-L1638 HydrophobicContact CD2-CG 3.74Å; L1636-I1644 HydrophobicContact CB-CG2 4.4Å; L1636-I1644 HydrophobicContact CD1-CG2 3.7Å; L1636-I1644 HydrophobicContact CD2-CG2 3.99Å; L1636-I1644 HydrophobicContact CG-CG2 3.88Å; L1636-H1645 CarbonylContact C-O 3.45Å; L1636-H1645 VanDerWaalsContact CA-O 3.27Å; L1636-H1645 WeakPolarHBondContact CA-O 3.28Å; L1636-L1646 HydrophobicContact CD2-CB 4.44Å; L1636-L1646 HydrophobicContact CD2-CD1 3.61Å
1637	V	61.7	Low	58.6	Low	3.2 Å²	3.2	48.8 Å²	48.8	2%	0.019	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.6	170.9	-176.8	0	0	0	0	109	V1549 F1579 T1601 I1644 H1645 L1647 V1653 V1684 V1686	V1549-V1637 WeakPolarHBondContact O-CG1 3.31Å; V1549-V1637 WeakPolarHBondContact O-CG2 3.5Å; F1579-V1637 HydrophobicContact CB-CG2 4.34Å; F1579-V1637 WeakPolarHBondContact O-CA 3.47Å; T1601-V1637 HydrophobicContact CG2-CG2 4.44Å; V1637-I1644 VanDerWaalsContact O-CA 3.3Å; V1637-I1644 WeakPolarHBondContact O-CA 3.34Å; V1637-H1645 HydrophobicContact CB-CB 4.27Å; V1637-H1645 HydrophobicContact CG2-CB 4.4Å; V1637-H1645 PolarHBondContact N-O 3.22Å; V1637-H1645 PolarHBondContact O-N 3Å; V1637-L1647 HydrophobicContact CG2-CD1 3.62Å; V1637-L1647 VanDerWaalsContact CG2-CD1 3.46Å; V1637-L1647 HydrophobicContact CG2-CD2 4.29Å; V1637-L1647 HydrophobicContact CG2-CG 4.13Å; V1637-V1653 HydrophobicContact CB-CG1 4.48Å; V1637-V1653 HydrophobicContact CG1-CG1 3.96Å; V1637-V1653 HydrophobicContact CG2-CB 4.32Å; V1637-V1653 HydrophobicContact CG2-CG1 4.24Å; V1637-V1653 HydrophobicContact CG2-CG2 3.91Å; V1637-V1684 HydrophobicContact CG1-CG1 4.36Å; V1637-V1686 HydrophobicContact CB-CG2 4.48Å; V1637-V1686 HydrophobicContact CG1-CG2 4.32Å
1638	L	60.5	Low	58.7	Low	29.2 Å²	29.2	50.5 Å²	50.5	15%	0.153	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	128.8	166.9	-151.2	85.2	0	0	0	109.7	L1550 V1568 F1579 V1580 G1581 T1597 V1611 L1612 L1636 G1642 N1643 I1644	L1550-L1638 HydrophobicContact CD2-CB 3.26Å; L1550-L1638 VanDerWaalsContact CD2-N 3.27Å; V1568-L1638 HydrophobicContact CB-CD2 4.48Å; V1568-L1638 HydrophobicContact CG1-CD2 4.05Å; V1568-L1638 HydrophobicContact CG2-CD2 3.9Å; F1579-L1638 PolarHBondContact O-N 3.3Å; V1580-L1638 HydrophobicContact CG1-CB 4.26Å; V1580-L1638 HydrophobicContact CG1-CD1 4.33Å; V1580-L1638 HydrophobicContact CG2-CD1 4.36Å; G1581-L1638 PolarHBondContact N-O 2.81Å; T1597-L1638 HydrophobicContact CG2-CD2 3.85Å; V1611-L1638 HydrophobicContact CG1-CD2 4.47Å; L1612-L1638 HydrophobicContact CD1-CD1 4.16Å; L1612-L1638 HydrophobicContact CD1-CD2 4.23Å; L1612-L1638 HydrophobicContact CD2-CD1 4.24Å; L1612-L1638 HydrophobicContact CG-CD1 4.33Å; L1636-L1638 HydrophobicContact CD2-CD1 4.22Å; L1636-L1638 HydrophobicContact CD2-CD2 3.72Å; L1636-L1638 HydrophobicContact CD2-CG 3.74Å; L1638-G1642 WeakPolarHBondContact CD1-O 3.26Å; L1638-N1643 WeakPolarHBondContact CA-O 3.45Å; L1638-I1644 HydrophobicContact CD1-CD1 4.21Å; L1638-I1644 HydrophobicContact CD1-CG1 3.8Å; L1638-I1644 HydrophobicContact CD2-CB 4.37Å; L1638-I1644 HydrophobicContact CD2-CD1 4.07Å; L1638-I1644 HydrophobicContact CD2-CG1 3.74Å; L1638-I1644 HydrophobicContact CD2-CG2 4.19Å
1639	T	56.7	Low	58.6	Low	6.2 Å²	6.2	54.6 Å²	54.6	4%	0.038	28%	0.28	C	S	.	.			trans	-92.7	158.6	171.8	69.4	0	0	0	0	111.3	T1641 G1642 N1643 H1645 V1684	T1639-T1641 WeakPolarHBondContact CB-OG1 3.21Å; T1639-T1641 PolarHBondContact O-N 2.94Å; T1639-T1641 VanDerWaalsContact O-N 3.1Å; T1639-T1641 PolarHBondContact OG1-N 3.33Å; T1639-T1641 PolarHBondContact OG1-OG1 3.09Å; T1639-T1641 VanDerWaalsContact OG1-OG1 3.11Å; T1639-G1642 WeakPolarHBondContact O-CA 3.46Å; T1639-G1642 PolarHBondContact O-N 3.24Å; T1639-G1642 PolarHBondContact OG1-N 3.04Å; T1639-N1643 WeakPolarHBondContact CB-O 3.28Å; T1639-N1643 HydrophobicContact CG2-CB 4.26Å; T1639-N1643 WeakPolarHBondContact CG2-O 3.2Å; T1639-N1643 PolarHBondContact N-O 3.08Å; T1639-N1643 WeakPolarHBondContact OG1-CA 3.34Å; T1639-N1643 WeakPolarHBondContact OG1-CB 3.35Å; T1639-N1643 PolarHBondContact OG1-N 3.17Å; T1639-N1643 VanDerWaalsContact OG1-N 3.12Å; T1639-N1643 PolarHBondContact OG1-O 3.08Å; T1639-H1645 WeakPolarHBondContact CG2-NE2 3.42Å; T1639-V1684 HydrophobicContact CG2-CB 4.06Å; T1639-V1684 HydrophobicContact CG2-CG1 4.44Å; T1639-V1684 HydrophobicContact CG2-CG2 3.83Å
1640	H	48.1	Very low	58.2	Low	74.2 Å²	74.2	49.6 Å²	49.6	34%	0.344	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.4	172.5	74.2	-70.8	0	0	0	114.1	P1583 G1642 V1681 S1682 S1683	P1583-H1640 HydrophobicContact CB-CB 4.27Å; P1583-H1640 HydrophobicContact CG-CB 4.01Å; H1640-G1642 VanDerWaalsContact C-N 3.3Å; H1640-G1642 PolarHBondContact O-N 3Å; H1640-V1681 WeakPolarHBondContact CD2-CG1 3.38Å; H1640-V1681 WeakPolarHBondContact NE2-CG1 3.35Å; H1640-S1682 PolarHBondContact CD2-OG 3.19Å; H1640-S1682 WeakPolarHBondContact CE1-CB 3.06Å; H1640-S1682 PolarHBondContact CE1-O 3.11Å; H1640-S1682 VanDerWaalsContact CE1-O 3.32Å; H1640-S1682 VanDerWaalsContact CG-C 3.47Å; H1640-S1682 PolarHBondContact ND1-O 3.2Å; H1640-S1682 VanDerWaalsContact NE2-CB 3.29Å; H1640-S1682 WeakPolarHBondContact NE2-CB 3.39Å; H1640-S1682 PolarHBondContact NE2-O 3.37Å; H1640-S1682 VanDerWaalsContact NE2-O 3.14Å; H1640-S1682 PolarHBondContact NE2-OG 3.18Å; H1640-S1683 WeakPolarHBondContact CE1-CA 3.3Å; H1640-S1683 VanDerWaalsContact CE1-CB 3.44Å; H1640-S1683 WeakPolarHBondContact CE1-CB 3.39Å; H1640-S1683 PolarHBondContact CE1-N 3.32Å; H1640-S1683 WeakPolarHBondContact ND1-CA 3.36Å
1641	T	47.1	Very low	58	Low	65.4 Å²	65.4	49.3 Å²	49.3	40%	0.401	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	0.3	174.6	43.5	0	0	0	0	113.4	T1639 N1643 V1681	T1639-T1641 WeakPolarHBondContact CB-OG1 3.21Å; T1639-T1641 PolarHBondContact O-N 2.94Å; T1639-T1641 VanDerWaalsContact O-N 3.1Å; T1639-T1641 PolarHBondContact OG1-N 3.33Å; T1639-T1641 PolarHBondContact OG1-OG1 3.09Å; T1639-T1641 VanDerWaalsContact OG1-OG1 3.11Å; T1641-N1643 VanDerWaalsContact C-N 3.34Å; T1641-N1643 WeakPolarHBondContact CB-ND2 3.41Å; T1641-N1643 PolarHBondContact O-N 3.11Å; T1641-N1643 PolarHBondContact OG1-ND2 3.06Å; T1641-N1643 VanDerWaalsContact OG1-ND2 3.17Å; T1641-V1681 HydrophobicContact CG2-CG1 4.23Å
1642	G	47	Very low	57.7	Low	30.4 Å²	30.4	47.5 Å²	47.5	31%	0.313	26%	0.255	S	S	.	.	S	Bend	trans	81	-5.3	-174.7	0	0	0	0	0	114.8	F1428 L1638 T1639 H1640 I1644	F1428-G1642 VanDerWaalsContact CD1-O 3.3Å; F1428-G1642 WeakPolarHBondContact CD1-O 3.4Å; L1638-G1642 WeakPolarHBondContact CD1-O 3.26Å; T1639-G1642 WeakPolarHBondContact O-CA 3.46Å; T1639-G1642 PolarHBondContact O-N 3.24Å; T1639-G1642 PolarHBondContact OG1-N 3.04Å; H1640-G1642 VanDerWaalsContact C-N 3.3Å; H1640-G1642 PolarHBondContact O-N 3Å; G1642-I1644 PolarHBondContact O-N 3.32Å
1643	N	54.3	Low	57.7	Low	62.4 Å²	62.4	40.5 Å²	40.5	33%	0.334	22%	0.224	S	C	.	.			trans	-64.3	139.8	173.4	-59.9	-45.7	0	0	0	110.5	L1638 T1639 T1641	L1638-N1643 WeakPolarHBondContact CA-O 3.45Å; T1639-N1643 WeakPolarHBondContact CB-O 3.28Å; T1639-N1643 HydrophobicContact CG2-CB 4.26Å; T1639-N1643 WeakPolarHBondContact CG2-O 3.2Å; T1639-N1643 PolarHBondContact N-O 3.08Å; T1639-N1643 WeakPolarHBondContact OG1-CA 3.34Å; T1639-N1643 WeakPolarHBondContact OG1-CB 3.35Å; T1639-N1643 PolarHBondContact OG1-N 3.17Å; T1639-N1643 VanDerWaalsContact OG1-N 3.12Å; T1639-N1643 PolarHBondContact OG1-O 3.08Å; T1641-N1643 VanDerWaalsContact C-N 3.34Å; T1641-N1643 WeakPolarHBondContact CB-ND2 3.41Å; T1641-N1643 PolarHBondContact O-N 3.11Å; T1641-N1643 PolarHBondContact OG1-ND2 3.06Å; T1641-N1643 VanDerWaalsContact OG1-ND2 3.17Å
1644	I	61	Low	57.5	Low	20.2 Å²	20.2	35.2 Å²	35.2	10%	0.104	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.4	-178.8	-58.5	175.2	0	0	0	108.6	L1434 F1610 V1611 L1612 A1613 Y1628 L1636 V1637 L1638 G1642	L1434-I1644 HydrophobicContact CD1-CB 4.42Å; L1434-I1644 HydrophobicContact CD1-CG2 3.88Å; F1610-I1644 HydrophobicContact CE2-CD1 4.28Å; F1610-I1644 HydrophobicContact CE2-CG2 4.33Å; F1610-I1644 HydrophobicContact CZ-CG2 4.26Å; V1611-I1644 HydrophobicContact CG1-CD1 4.29Å; V1611-I1644 HydrophobicContact CG2-CD1 4.4Å; L1612-I1644 HydrophobicContact CB-CD1 4.38Å; L1612-I1644 HydrophobicContact CD1-CD1 3.68Å; L1612-I1644 HydrophobicContact CD1-CG1 4.27Å; L1612-I1644 HydrophobicContact CD2-CD1 3.91Å; L1612-I1644 HydrophobicContact CD2-CG1 3.92Å; L1612-I1644 HydrophobicContact CG-CD1 4.24Å; A1613-I1644 HydrophobicContact CB-CD1 3.78Å; Y1628-I1644 HydrophobicContact CD1-CG2 4.43Å; Y1628-I1644 HydrophobicContact CD2-CD1 4.12Å; Y1628-I1644 HydrophobicContact CE1-CD1 4.36Å; Y1628-I1644 HydrophobicContact CE1-CG2 3.96Å; Y1628-I1644 HydrophobicContact CE2-CD1 3.59Å; Y1628-I1644 VanDerWaalsContact CE2-CD1 3.46Å; Y1628-I1644 HydrophobicContact CE2-CG2 4.45Å; Y1628-I1644 HydrophobicContact CG-CD1 4.38Å; L1636-I1644 HydrophobicContact CB-CG2 4.4Å; L1636-I1644 HydrophobicContact CD1-CG2 3.7Å; L1636-I1644 HydrophobicContact CD2-CG2 3.99Å; L1636-I1644 HydrophobicContact CG-CG2 3.88Å; V1637-I1644 VanDerWaalsContact O-CA 3.3Å; V1637-I1644 WeakPolarHBondContact O-CA 3.34Å; L1638-I1644 HydrophobicContact CD1-CD1 4.21Å; L1638-I1644 HydrophobicContact CD1-CG1 3.8Å; L1638-I1644 HydrophobicContact CD2-CB 4.37Å; L1638-I1644 HydrophobicContact CD2-CD1 4.07Å; L1638-I1644 HydrophobicContact CD2-CG1 3.74Å; L1638-I1644 HydrophobicContact CD2-CG2 4.19Å; G1642-I1644 PolarHBondContact O-N 3.32Å
1645	H	62.3	Low	57	Low	52.4 Å²	52.4	36.5 Å²	36.5	24%	0.243	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.9	174.1	-58	-87.5	0	0	0	110.3	L1636 V1637 T1639 V1686	L1636-H1645 CarbonylContact C-O 3.45Å; L1636-H1645 VanDerWaalsContact CA-O 3.27Å; L1636-H1645 WeakPolarHBondContact CA-O 3.28Å; V1637-H1645 HydrophobicContact CB-CB 4.27Å; V1637-H1645 HydrophobicContact CG2-CB 4.4Å; V1637-H1645 PolarHBondContact N-O 3.22Å; V1637-H1645 PolarHBondContact O-N 3Å; T1639-H1645 WeakPolarHBondContact CG2-NE2 3.42Å; H1645-V1686 HydrophobicContact CB-CB 4.34Å; H1645-V1686 HydrophobicContact CB-CG1 4.31Å; H1645-V1686 HydrophobicContact CB-CG2 4.02Å
1646	L	66.8	Low	56.3	Low	42.8 Å²	42.8	37.9 Å²	37.9	22%	0.224	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.5	169.7	-176.1	66.1	0	0	0	109.4	L1434 I1630 P1631 L1636	L1434-L1646 HydrophobicContact CD2-CB 4.19Å; L1434-L1646 HydrophobicContact CD2-CD1 4.05Å; L1434-L1646 HydrophobicContact CD2-CD2 4.25Å; L1434-L1646 HydrophobicContact CD2-CG 4.37Å; L1434-L1646 HydrophobicContact CG-CB 4.3Å; L1434-L1646 HydrophobicContact CG-CD2 4.34Å; I1630-L1646 HydrophobicContact CD1-CD1 4.23Å; I1630-L1646 HydrophobicContact CG1-CD1 4.12Å; I1630-L1646 HydrophobicContact CG2-CD1 4Å; P1631-L1646 HydrophobicContact CG-CD2 4.24Å; L1636-L1646 HydrophobicContact CD2-CB 4.44Å; L1636-L1646 HydrophobicContact CD2-CD1 3.61Å
1647	L	65	Low	55.4	Low	11.4 Å²	11.4	43.9 Å²	43.9	6%	0.06	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107.3	177.5	-58.8	-179	0	0	0	109.3	A1547 V1549 I1573 S1634 A1635 V1637 K1649 A1651 V1653 V1686	A1547-L1647 HydrophobicContact CB-CB 4.47Å; V1549-L1647 HydrophobicContact CG2-CD1 3.99Å; I1573-L1647 HydrophobicContact CD1-CD1 4.37Å; S1634-L1647 CarbonylContact C-O 3.52Å; S1634-L1647 VanDerWaalsContact CA-O 3.25Å; S1634-L1647 WeakPolarHBondContact CA-O 3.38Å; S1634-L1647 VanDerWaalsContact CB-O 3.29Å; S1634-L1647 WeakPolarHBondContact CB-O 3.34Å; A1635-L1647 HydrophobicContact CB-CB 4.28Å; A1635-L1647 HydrophobicContact CB-CD1 4.47Å; A1635-L1647 PolarHBondContact N-O 2.94Å; A1635-L1647 WeakPolarHBondContact O-CA 3.24Å; A1635-L1647 WeakPolarHBondContact O-CB 3.49Å; A1635-L1647 PolarHBondContact O-N 3.16Å; V1637-L1647 HydrophobicContact CG2-CD1 3.62Å; V1637-L1647 VanDerWaalsContact CG2-CD1 3.46Å; V1637-L1647 HydrophobicContact CG2-CD2 4.29Å; V1637-L1647 HydrophobicContact CG2-CG 4.13Å; L1647-K1649 PolarHBondContact O-N 3.01Å; L1647-A1651 HydrophobicContact CD1-CB 4.25Å; L1647-A1651 HydrophobicContact CD2-CB 3.71Å; L1647-A1651 VanDerWaalsContact CD2-CB 3.45Å; L1647-A1651 HydrophobicContact CG-CB 4.41Å; L1647-V1653 HydrophobicContact CD1-CG2 3.99Å; L1647-V1686 HydrophobicContact CD1-CG1 4.23Å; L1647-V1686 HydrophobicContact CD2-CB 4.34Å; L1647-V1686 HydrophobicContact CD2-CG1 3.75Å; L1647-V1686 VanDerWaalsContact CD2-CG1 3.41Å; L1647-V1686 HydrophobicContact CD2-CG2 4.29Å
1648	D	60.5	Low	54.3	Low	95.4 Å²	95.4	45.6 Å²	45.6	51%	0.51	25%	0.246	S	C	.	.	S	Bend	trans	-78.2	-4.8	176.8	35.3	-37.7	0	0	0	114	K1688	D1648-K1688 VanDerWaalsContact CG-NZ 3.28Å; D1648-K1688 VanDerWaalsContact OD1-CE 3.23Å; D1648-K1688 WeakPolarHBondContact OD1-CE 3.44Å; D1648-K1688 IonicContact OD1-NZ 3.33Å; D1648-K1688 PolarHBondContact OD1-NZ 3.08Å; D1648-K1688 IonicContact OD2-NZ 3.31Å; D1648-K1688 PolarHBondContact OD2-NZ 3.08Å
1649	K	58.7	Low	53	Low	126.4 Å²	126.4	51.7 Å²	51.7	55%	0.55	28%	0.276	S	S	.	.	S	Bend	trans	-153.1	157.3	-179.7	-62.2	-166.4	176.2	-157.2	0	109.8	D1633 L1647 A1651 K1688 I1691	D1633-K1649 CarbonylContact O-C 3.45Å; D1633-K1649 VanDerWaalsContact O-CA 3.26Å; D1633-K1649 WeakPolarHBondContact O-CA 3.37Å; L1647-K1649 PolarHBondContact O-N 3.01Å; K1649-A1651 PolarHBondContact O-N 2.96Å; K1649-K1688 HydrophobicContact CB-CD 4.49Å; K1649-K1688 PolarHBondContact O-NZ 2.85Å; K1649-I1691 PolarHBondContact NZ-O 2.83Å; K1649-I1691 VanDerWaalsContact NZ-O 3.16Å
1650	A	56.6	Low	51.8	Low	31.2 Å²	31.2	56.9 Å²	56.9	26%	0.258	30%	0.303	S	S	.	.			trans	-48.5	132.4	167.4	0	0	0	0	0	111.9	L1540 C1548 D1633 L1689 I1691	L1540-A1650 HydrophobicContact CD2-CB 4.33Å; C1548-A1650 WeakPolarHBondContact O-CA 3.37Å; D1633-A1650 PolarHBondContact O-N 2.69Å; A1650-L1689 HydrophobicContact CB-CD1 4.19Å; A1650-L1689 PolarHBondContact O-N 3.22Å; A1650-I1691 HydrophobicContact CB-CD1 3.91Å
1651	A	56.6	Low	51	Low	12 Å²	12	62 Å²	62	10%	0.099	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	142.2	-174.2	0	0	0	0	0	111.7	C1548 V1549 L1550 L1647 K1649 V1653 V1686 R1687 K1688	C1548-A1651 PolarHBondContact O-N 3.16Å; V1549-A1651 WeakPolarHBondContact CA-O 3.38Å; L1550-A1651 PolarHBondContact N-O 2.89Å; L1647-A1651 HydrophobicContact CD1-CB 4.25Å; L1647-A1651 HydrophobicContact CD2-CB 3.71Å; L1647-A1651 VanDerWaalsContact CD2-CB 3.45Å; L1647-A1651 HydrophobicContact CG-CB 4.41Å; K1649-A1651 PolarHBondContact O-N 2.96Å; A1651-V1653 PolarHBondContact O-N 2.81Å; A1651-V1686 HydrophobicContact CB-CG1 4.16Å; A1651-R1687 CarbonylContact C-O 3.56Å; A1651-R1687 WeakPolarHBondContact CA-O 3.37Å; A1651-K1688 HydrophobicContact CB-CB 4.4Å; A1651-K1688 HydrophobicContact CB-CD 4.23Å; A1651-K1688 HydrophobicContact CB-CG 4.18Å
1652	L	56	Low	50	Low	26.8 Å²	26.8	63.2 Å²	63.2	14%	0.14	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.4	169.5	-178.9	75.9	0	0	0	109.7	L1550 V1654 V1686 R1687 L1689 I1691 L1706 L1710 A1713	L1550-L1652 HydrophobicContact CB-CB 4.41Å; L1550-L1652 HydrophobicContact CB-CD1 3.65Å; L1550-L1652 HydrophobicContact CD1-CB 4.32Å; L1550-L1652 HydrophobicContact CD1-CD1 4.23Å; L1652-V1654 HydrophobicContact CD1-CG2 3.96Å; L1652-V1654 HydrophobicContact CD2-CG2 3.66Å; L1652-V1654 VanDerWaalsContact CD2-CG2 3.46Å; L1652-V1654 HydrophobicContact CG-CG2 3.84Å; L1652-V1686 WeakPolarHBondContact O-CA 3.34Å; L1652-R1687 HydrophobicContact CB-CB 4.4Å; L1652-R1687 HydrophobicContact CD2-CB 4.47Å; L1652-R1687 PolarHBondContact N-O 3.22Å; L1652-R1687 PolarHBondContact O-N 3.13Å; L1652-R1687 VanDerWaalsContact O-O 3.07Å; L1652-L1689 HydrophobicContact CB-CB 4.25Å; L1652-L1689 HydrophobicContact CB-CD1 4.34Å; L1652-L1689 HydrophobicContact CB-CD2 4.02Å; L1652-L1689 HydrophobicContact CB-CG 4.24Å; L1652-L1689 HydrophobicContact CD2-CD1 3.63Å; L1652-L1689 HydrophobicContact CD2-CG 4.18Å; L1652-I1691 HydrophobicContact CB-CD1 3.98Å; L1652-I1691 HydrophobicContact CB-CG1 4.42Å; L1652-I1691 HydrophobicContact CD1-CD1 4.25Å; L1652-I1691 VanDerWaalsContact N-CD1 3.35Å; L1652-L1706 HydrophobicContact CD1-CD1 3.76Å; L1652-L1706 HydrophobicContact CD2-CB 4.3Å; L1652-L1706 HydrophobicContact CD2-CD1 3.35Å; L1652-L1706 VanDerWaalsContact CD2-CD1 3.4Å; L1652-L1706 HydrophobicContact CD2-CG 4.45Å; L1652-L1706 HydrophobicContact CG-CD1 4.2Å; L1652-L1710 HydrophobicContact CD1-CD2 4.03Å; L1652-L1710 HydrophobicContact CD2-CD2 4.03Å; L1652-A1713 HydrophobicContact CD1-CB 4.1Å; L1652-A1713 HydrophobicContact CD2-CB 3.7Å; L1652-A1713 VanDerWaalsContact CD2-CB 3.46Å; L1652-A1713 HydrophobicContact CG-CB 4.39Å
1653	V	56.1	Low	49.1	Very low	15 Å²	15	70.6 Å²	70.6	9%	0.091	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	98.3	-179.2	-178.2	0	0	0	0	109	V1549 L1550 I1551 P1552 T1601 V1637 L1647 A1651 P1655 V1684 V1686	V1549-V1653 HydrophobicContact CG1-CB 4.13Å; V1549-V1653 HydrophobicContact CG1-CG2 3.97Å; L1550-V1653 PolarHBondContact O-N 2.61Å; L1550-V1653 VanDerWaalsContact O-O 3.13Å; I1551-V1653 HydrophobicContact CD1-CB 4.09Å; I1551-V1653 HydrophobicContact CD1-CG1 3.84Å; I1551-V1653 HydrophobicContact CG1-CG1 4.49Å; P1552-V1653 VanDerWaalsContact CD-O 3.23Å; P1552-V1653 WeakPolarHBondContact CD-O 3.45Å; T1601-V1653 HydrophobicContact CG2-CB 4.36Å; T1601-V1653 HydrophobicContact CG2-CG2 3.67Å; V1637-V1653 HydrophobicContact CB-CG1 4.48Å; V1637-V1653 HydrophobicContact CG1-CG1 3.96Å; V1637-V1653 HydrophobicContact CG2-CB 4.32Å; V1637-V1653 HydrophobicContact CG2-CG1 4.24Å; V1637-V1653 HydrophobicContact CG2-CG2 3.91Å; L1647-V1653 HydrophobicContact CD1-CG2 3.99Å; A1651-V1653 PolarHBondContact O-N 2.81Å; V1653-P1655 WeakPolarHBondContact O-CD 3.47Å; V1653-V1684 HydrophobicContact CG1-CG1 3.5Å; V1653-V1686 HydrophobicContact CB-CG1 4.41Å; V1653-V1686 HydrophobicContact CG1-CG1 4.13Å; V1653-V1686 HydrophobicContact CG1-CG2 4.21Å; V1653-V1686 HydrophobicContact CG2-CG1 4.2Å; V1653-V1686 HydrophobicContact CG2-CG2 4.37Å
1654	V	52.4	Low	47.8	Very low	10.2 Å²	10.2	72.9 Å²	72.9	6%	0.062	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.5	-178.2	-172.4	0	0	0	0	110	P1552 L1652 V1656 V1684 Y1685 A1709 A1713 P1714 A1717	P1552-V1654 HydrophobicContact CG-CG1 4.36Å; L1652-V1654 HydrophobicContact CD1-CG2 3.96Å; L1652-V1654 HydrophobicContact CD2-CG2 3.66Å; L1652-V1654 VanDerWaalsContact CD2-CG2 3.46Å; L1652-V1654 HydrophobicContact CG-CG2 3.84Å; V1654-V1656 HydrophobicContact CG1-CG2 4.26Å; V1654-V1656 PolarHBondContact O-N 3.1Å; V1654-V1684 CarbonylContact O-C 3.57Å; V1654-V1684 WeakPolarHBondContact O-CA 3.18Å; V1654-Y1685 HydrophobicContact CB-CD1 4.35Å; V1654-Y1685 HydrophobicContact CG2-CD1 4.35Å; V1654-Y1685 PolarHBondContact N-O 3.22Å; V1654-Y1685 PolarHBondContact O-N 3.1Å; V1654-A1709 HydrophobicContact CB-CB 4.38Å; V1654-A1709 HydrophobicContact CG1-CB 4.24Å; V1654-A1709 VanDerWaalsContact CG1-O 3.32Å; V1654-A1709 WeakPolarHBondContact CG1-O 3.35Å; V1654-A1709 HydrophobicContact CG2-CB 3.84Å; V1654-A1713 HydrophobicContact CG1-CB 3.89Å; V1654-A1713 HydrophobicContact CG2-CB 4.29Å; V1654-P1714 HydrophobicContact CG1-CG 4.22Å; V1654-A1717 HydrophobicContact CG1-CB 3.93Å
1655	P	47.8	Very low	46.2	Very low	37.8 Å²	37.8	79.7 Å²	79.7	25%	0.245	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	121.4	170.6	-1	8.1	0	0	0	111.3	I1551 P1552 T1553 L1554 I1582 T1597 V1653 V1681 S1683 V1684	I1551-P1655 HydrophobicContact CG2-CG 4.12Å; P1552-P1655 VanDerWaalsContact CD-CD 3.48Å; P1552-P1655 HydrophobicContact CG-CG 4.44Å; T1553-P1655 HydrophobicContact CG2-CB 3.42Å; T1553-P1655 VanDerWaalsContact CG2-CB 3.42Å; T1553-P1655 HydrophobicContact CG2-CG 3.49Å; T1553-P1655 VanDerWaalsContact CG2-CG 3.49Å; L1554-P1655 HydrophobicContact CD1-CB 4.42Å; L1554-P1655 HydrophobicContact CD1-CG 4.49Å; I1582-P1655 HydrophobicContact CD1-CB 3.8Å; I1582-P1655 HydrophobicContact CD1-CG 4.01Å; I1582-P1655 HydrophobicContact CG1-CB 4.42Å; I1582-P1655 HydrophobicContact CG1-CG 4.07Å; I1582-P1655 HydrophobicContact CG2-CG 4.03Å; T1597-P1655 HydrophobicContact CG2-CG 4.44Å; V1653-P1655 WeakPolarHBondContact O-CD 3.47Å; P1655-V1681 HydrophobicContact CB-CG1 3.87Å; P1655-S1683 CarbonylContact C-O 3.52Å; P1655-S1683 WeakPolarHBondContact CA-O 3.46Å; P1655-V1684 HydrophobicContact CB-CG1 3.76Å
1656	V	45.8	Very low	44.5	Very low	36.8 Å²	36.8	81.9 Å²	81.9	22%	0.223	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136	177.6	180	0	0	0	0	108.9	V1654 S1682 S1683 Y1685 R1687 P1714 A1717	V1654-V1656 HydrophobicContact CG1-CG2 4.26Å; V1654-V1656 PolarHBondContact O-N 3.1Å; V1656-S1682 CarbonylContact O-C 3.56Å; V1656-S1682 WeakPolarHBondContact O-CA 3.49Å; V1656-S1682 PolarHBondContact O-N 2.8Å; V1656-S1682 VanDerWaalsContact O-N 3.13Å; V1656-S1683 CarbonylContact C-O 3.45Å; V1656-S1683 WeakPolarHBondContact CB-OG 3.28Å; V1656-S1683 WeakPolarHBondContact CG1-OG 3.35Å; V1656-S1683 PolarHBondContact N-O 3.14Å; V1656-S1683 PolarHBondContact O-N 3.13Å; V1656-S1683 VanDerWaalsContact O-O 3.13Å; V1656-S1683 PolarHBondContact O-OG 3.18Å; V1656-S1683 VanDerWaalsContact O-OG 3.1Å; V1656-Y1685 PolarHBondContact O-N 2.8Å; V1656-R1687 HydrophobicContact CG2-CG 4.16Å; V1656-P1714 HydrophobicContact CG2-CG 3.9Å; V1656-A1717 HydrophobicContact CB-CB 4.36Å; V1656-A1717 HydrophobicContact CG1-CB 3.99Å; V1656-A1717 HydrophobicContact CG2-CB 3.98Å
1657	R	41.7	Very low	42.6	Very low	131.6 Å²	131.6	85.6 Å²	85.6	50%	0.497	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	139.1	172.2	-60.4	-176	-160.2	171.2	0.9	109.7	E1555 Y1563 L1594 M1659 V1680 P1714	E1555-R1657 IonicContact OE1-CZ 2.59Å; E1555-R1657 IonicContact OE1-NE 2.74Å; E1555-R1657 IonicContact OE1-NH1 3.87Å; E1555-R1657 PolarHBondContact OE1-NH1 2.96Å; E1555-R1657 IonicContact OE1-NH2 3.76Å; E1555-R1657 PolarHBondContact OE1-NH2 2.94Å; E1555-R1657 WeakPolarHBondContact OE2-CD 3.33Å; E1555-R1657 VanDerWaalsContact OE2-CG 3.22Å; E1555-R1657 WeakPolarHBondContact OE2-CG 3.35Å; E1555-R1657 IonicContact OE2-CZ 2.94Å; E1555-R1657 IonicContact OE2-NE 2.69Å; E1555-R1657 IonicContact OE2-NH1 3.09Å; Y1563-R1657 VanDerWaalsContact CG-NH2 3.3Å; Y1563-R1657 VanDerWaalsContact CZ-NH2 3.26Å; Y1563-R1657 PolarHBondContact OH-NH2 3.26Å; L1594-R1657 VanDerWaalsContact CD1-NH2 3.35Å; R1657-M1659 PolarHBondContact O-N 2.95Å; R1657-V1680 HydrophobicContact CG-CG1 4.41Å; R1657-P1714 HydrophobicContact CG-CG 4.32Å
1658	S	39.3	Very low	41.1	Very low	40.8 Å²	40.8	90.7 Å²	90.7	29%	0.285	50%	0.501	S	S	.	.			trans	-59.2	132.6	165.5	-60.4	0	0	0	0	109.6	D1660 V1681 S1682 S1683	S1658-D1660 VanDerWaalsContact C-N 3.29Å; S1658-D1660 WeakPolarHBondContact CB-OD2 3.44Å; S1658-D1660 PolarHBondContact O-N 3.11Å; S1658-V1681 WeakPolarHBondContact CB-O 3.39Å; S1658-V1681 PolarHBondContact N-O 2.81Å; S1658-V1681 PolarHBondContact OG-O 3.1Å; S1658-S1682 VanDerWaalsContact CB-CB 3.48Å; S1658-S1682 VanDerWaalsContact OG-CB 3.28Å; S1658-S1682 WeakPolarHBondContact OG-CB 3.35Å; S1658-S1682 PolarHBondContact OG-OG 3.37Å; S1658-S1683 WeakPolarHBondContact CA-OG 3.25Å; S1658-S1683 VanDerWaalsContact CB-OG 3.22Å; S1658-S1683 WeakPolarHBondContact CB-OG 3.3Å; S1658-S1683 PolarHBondContact N-O 3.38Å; S1658-S1683 PolarHBondContact N-OG 3.11Å; S1658-S1683 VanDerWaalsContact OG-CB 3.3Å; S1658-S1683 WeakPolarHBondContact OG-CB 3.4Å; S1658-S1683 PolarHBondContact OG-N 3.21Å; S1658-S1683 PolarHBondContact OG-OG 2.83Å
1659	M	34.2	Very low	39.4	Very low	156.4 Å²	156.4	91.5 Å²	91.5	77%	0.77	52%	0.515	S	S	*	.			trans	-96.5	81.4	172	-155	178.4	65.2	0	0	109.3	R1657 H1661 S1662	R1657-M1659 PolarHBondContact O-N 2.95Å; M1659-H1661 PolarHBondContact O-N 2.98Å; M1659-H1661 PolarHBondContact O-ND1 3.09Å; M1659-S1662 PolarHBondContact O-OG 3.16Å
1660	D	31	Very low	38	Very low	115.8 Å²	115.8	90.7 Å²	90.7	62%	0.619	53%	0.525	S	S	*	.			trans	-64	106.4	176.6	-77.6	-48.5	0	0	0	110.9	S1658 S1662	S1658-D1660 VanDerWaalsContact C-N 3.29Å; S1658-D1660 WeakPolarHBondContact CB-OD2 3.44Å; S1658-D1660 PolarHBondContact O-N 3.11Å; D1660-S1662 VanDerWaalsContact C-N 3.27Å; D1660-S1662 PolarHBondContact O-N 2.9Å; D1660-S1662 PolarHBondContact O-OG 3.32Å
1661	H	30.4	Very low	36.8	Very low	180.8 Å²	180.8	95.4 Å²	95.4	84%	0.837	55%	0.553	S	S	*	*			trans	-81.9	65.8	176.9	-75.3	46.5	0	0	0	112.4	M1659 H1663	M1659-H1661 PolarHBondContact O-N 2.98Å; M1659-H1661 PolarHBondContact O-ND1 3.09Å; H1661-H1663 VanDerWaalsContact C-N 3.31Å; H1661-H1663 PolarHBondContact O-N 2.72Å
1662	S	26.3	Very low	35.6	Very low	89.8 Å²	89.8	101.1 Å²	101.1	63%	0.628	59%	0.586	S	S	*	*			trans	-113.9	44.7	178.8	57.8	0	0	0	0	113.6	M1659 D1660 S1664	M1659-S1662 PolarHBondContact O-OG 3.16Å; D1660-S1662 VanDerWaalsContact C-N 3.27Å; D1660-S1662 PolarHBondContact O-N 2.9Å; D1660-S1662 PolarHBondContact O-OG 3.32Å; S1662-S1664 PolarHBondContact O-N 3.5Å
1663	H	29.1	Very low	34.2	Very low	187.4 Å²	187.4	108.2 Å²	108.2	87%	0.868	62%	0.618	S	S	*	*			trans	-130.8	100.4	158.7	-79	-40.6	0	0	0	111.7	H1661	H1661-H1663 VanDerWaalsContact C-N 3.31Å; H1661-H1663 PolarHBondContact O-N 2.72Å
1664	S	25.8	Very low	32.9	Very low	110.4 Å²	110.4	115.8 Å²	115.8	77%	0.772	65%	0.653	S	S	*	*			trans	-87.3	149.2	173.3	-173.7	0	0	0	0	112.1	S1662 S1666	S1662-S1664 PolarHBondContact O-N 3.5Å; S1664-S1666 PolarHBondContact O-N 3.12Å
1665	I	28	Very low	31.6	Very low	162 Å²	162	120.8 Å²	120.8	83%	0.831	69%	0.688	S	S	*	*			trans	-124.2	88.4	171.9	-59.1	163.3	0	0	0	109.6
1666	S	26.5	Very low	30.7	Very low	98.6 Å²	98.6	121.7 Å²	121.7	69%	0.69	70%	0.704	S	S	*	*			trans	175.8	141.6	146.3	-71.7	0	0	0	0	113.1	S1664 P1668	S1664-S1666 PolarHBondContact O-N 3.12Å; S1666-P1668 WeakPolarHBondContact O-CD 3.28Å
1667	P	27.5	Very low	29.9	Very low	120.4 Å²	120.4	126 Å²	126	78%	0.782	73%	0.731	S	S	*	*			trans	-87.4	127.3	173	32.7	-31.2	0	0	0	112.3	S1669	P1667-S1669 PolarHBondContact O-N 2.99Å
1668	P	32.3	Very low	29.2	Very low	119 Å²	119	126.4 Å²	126.4	77%	0.773	74%	0.743	S	S	*	*			trans	-94.9	117.1	167	31.3	-26.7	0	0	0	111.7	S1666 S1670	S1666-P1668 WeakPolarHBondContact O-CD 3.28Å; P1668-S1670 PolarHBondContact O-N 3.24Å
1669	S	26.2	Very low	28.8	Very low	113.2 Å²	113.2	130.8 Å²	130.8	79%	0.792	76%	0.762	S	S	*	*			trans	-51.5	108.8	165.4	-19.7	0	0	0	0	114.9	P1667	P1667-S1669 PolarHBondContact O-N 2.99Å
1670	S	29.1	Very low	28.7	Very low	107.8 Å²	107.8	128.6 Å²	128.6	75%	0.754	76%	0.758	S	S	*	*			trans	141	142.8	153.6	-70.7	0	0	0	0	113.8	P1668 V1672	P1668-S1670 PolarHBondContact O-N 3.24Å; S1670-V1672 PolarHBondContact O-N 3Å
1671	P	30.1	Very low	28.8	Very low	131.6 Å²	131.6	126.3 Å²	126.3	86%	0.855	75%	0.748	S	S	*	*			trans	-89.7	106.2	176.9	34.1	-31.4	0	0	0	111.9
1672	V	31.5	Very low	29.2	Very low	131.4 Å²	131.4	119.1 Å²	119.1	80%	0.796	72%	0.717	S	S	*	*			trans	-112.4	131.3	169	-177.1	0	0	0	0	109.1	S1670 E1674	S1670-V1672 PolarHBondContact O-N 3Å; V1672-E1674 VanDerWaalsContact C-N 3.33Å; V1672-E1674 PolarHBondContact O-N 3.03Å
1673	H	28.2	Very low	30	Very low	174.6 Å²	174.6	116.5 Å²	116.5	81%	0.808	70%	0.699	S	S	*	*			trans	-73	93.8	-173.9	-129.5	-80.7	0	0	0	113.4	S1675	H1673-S1675 PolarHBondContact ND1-OG 2.83Å; H1673-S1675 PolarHBondContact O-N 3.26Å; H1673-S1675 VanDerWaalsContact O-N 3.15Å
1674	E	27.9	Very low	30.9	Very low	176.2 Å²	176.2	108.6 Å²	108.6	82%	0.823	66%	0.664	S	S	*	*			trans	-118.9	120.1	148.7	-87.2	-165.4	140.8	0	0	111.4	V1672 G1676	V1672-E1674 VanDerWaalsContact C-N 3.33Å; V1672-E1674 PolarHBondContact O-N 3.03Å; E1674-G1676 VanDerWaalsContact C-N 3.29Å; E1674-G1676 PolarHBondContact O-N 3.02Å; E1674-G1676 VanDerWaalsContact O-N 3.13Å
1675	S	26	Very low	32.1	Very low	114.4 Å²	114.4	109.7 Å²	109.7	80%	0.8	65%	0.652	S	S	*	*			trans	-82.7	56.7	176.5	-60	0	0	0	0	112.1	H1673 T1677	H1673-S1675 PolarHBondContact ND1-OG 2.83Å; H1673-S1675 PolarHBondContact O-N 3.26Å; H1673-S1675 VanDerWaalsContact O-N 3.15Å; S1675-T1677 PolarHBondContact O-N 3.16Å; S1675-T1677 VanDerWaalsContact O-N 3.12Å
1676	G	26.9	Very low	33.4	Very low	56.6 Å²	56.6	103.6 Å²	103.6	58%	0.584	62%	0.622	S	S	*	*			trans	-84.2	121	176.6	0	0	0	0	0	112.5	E1674 N1678	E1674-G1676 VanDerWaalsContact C-N 3.29Å; E1674-G1676 PolarHBondContact O-N 3.02Å; E1674-G1676 VanDerWaalsContact O-N 3.13Å; G1676-N1678 VanDerWaalsContact C-N 3.26Å; G1676-N1678 PolarHBondContact O-N 3.08Å
1677	T	29.3	Very low	34.8	Very low	128.2 Å²	128.2	103 Å²	103	79%	0.787	61%	0.605	S	S	*	*			trans	-74.4	86.8	172.8	51.2	0	0	0	0	110.8	S1675 L1679	S1675-T1677 PolarHBondContact O-N 3.16Å; S1675-T1677 VanDerWaalsContact O-N 3.12Å; T1677-L1679 VanDerWaalsContact C-N 3.27Å; T1677-L1679 PolarHBondContact O-N 3.15Å; T1677-L1679 VanDerWaalsContact O-N 3.11Å
1678	N	27.7	Very low	36.3	Very low	140 Å²	140	101.9 Å²	101.9	75%	0.749	59%	0.588	S	S	*	*			trans	-61.6	103.6	174.6	-83.2	-43.6	0	0	0	110.7	G1676 V1680	G1676-N1678 VanDerWaalsContact C-N 3.26Å; G1676-N1678 PolarHBondContact O-N 3.08Å; N1678-V1680 VanDerWaalsContact C-N 3.31Å; N1678-V1680 PolarHBondContact O-N 3.21Å; N1678-V1680 VanDerWaalsContact O-N 3.09Å
1679	L	30.4	Very low	37.5	Very low	133 Å²	133	97.4 Å²	97.4	70%	0.696	56%	0.557	S	S	*	*			trans	-70.3	105.7	174.7	-92.6	134.2	0	0	0	109.8	T1677 V1681	T1677-L1679 VanDerWaalsContact C-N 3.27Å; T1677-L1679 PolarHBondContact O-N 3.15Å; T1677-L1679 VanDerWaalsContact O-N 3.11Å; L1679-V1681 VanDerWaalsContact C-N 3.32Å; L1679-V1681 HydrophobicContact CB-CG2 4.02Å; L1679-V1681 HydrophobicContact CD2-CG2 4.18Å; L1679-V1681 PolarHBondContact O-N 3.13Å
1680	V	32.5	Very low	39	Very low	110.2 Å²	110.2	95.6 Å²	95.6	67%	0.668	54%	0.543	S	S	*	.			trans	-74.4	89.7	170.4	-176.3	0	0	0	0	108.3	R1657 N1678 S1682	R1657-V1680 HydrophobicContact CG-CG1 4.41Å; N1678-V1680 VanDerWaalsContact C-N 3.31Å; N1678-V1680 PolarHBondContact O-N 3.21Å; N1678-V1680 VanDerWaalsContact O-N 3.09Å; V1680-S1682 VanDerWaalsContact C-N 3.32Å; V1680-S1682 PolarHBondContact O-N 3.18Å; V1680-S1682 PolarHBondContact O-OG 2.91Å
1681	V	33.7	Very low	40.3	Very low	67.6 Å²	67.6	92.5 Å²	92.5	41%	0.41	52%	0.517	S	S	.	.			trans	-69.6	107.1	172.3	-179.4	0	0	0	0	107.8	L1594 H1640 T1641 P1655 S1658 L1679 S1683	L1594-V1681 HydrophobicContact CD1-CB 3.75Å; L1594-V1681 HydrophobicContact CD1-CG2 3.53Å; H1640-V1681 WeakPolarHBondContact CD2-CG1 3.38Å; H1640-V1681 WeakPolarHBondContact NE2-CG1 3.35Å; T1641-V1681 HydrophobicContact CG2-CG1 4.23Å; P1655-V1681 HydrophobicContact CB-CG1 3.87Å; S1658-V1681 WeakPolarHBondContact CB-O 3.39Å; S1658-V1681 PolarHBondContact N-O 2.81Å; S1658-V1681 PolarHBondContact OG-O 3.1Å; L1679-V1681 VanDerWaalsContact C-N 3.32Å; L1679-V1681 HydrophobicContact CB-CG2 4.02Å; L1679-V1681 HydrophobicContact CD2-CG2 4.18Å; L1679-V1681 PolarHBondContact O-N 3.13Å; V1681-S1683 PolarHBondContact O-N 3.4Å; V1681-S1683 VanDerWaalsContact O-N 3.14Å
1682	S	38.8	Very low	41.5	Very low	28.4 Å²	28.4	88 Å²	88	20%	0.199	49%	0.488	C	S	.	.			trans	-86.1	107.2	176.5	-89.3	0	0	0	0	108.7	H1640 V1656 S1658 V1680 V1684	H1640-S1682 PolarHBondContact CD2-OG 3.19Å; H1640-S1682 WeakPolarHBondContact CE1-CB 3.06Å; H1640-S1682 PolarHBondContact CE1-O 3.11Å; H1640-S1682 VanDerWaalsContact CE1-O 3.32Å; H1640-S1682 VanDerWaalsContact CG-C 3.47Å; H1640-S1682 PolarHBondContact ND1-O 3.2Å; H1640-S1682 VanDerWaalsContact NE2-CB 3.29Å; H1640-S1682 WeakPolarHBondContact NE2-CB 3.39Å; H1640-S1682 PolarHBondContact NE2-O 3.37Å; H1640-S1682 VanDerWaalsContact NE2-O 3.14Å; H1640-S1682 PolarHBondContact NE2-OG 3.18Å; V1656-S1682 CarbonylContact O-C 3.56Å; V1656-S1682 WeakPolarHBondContact O-CA 3.49Å; V1656-S1682 PolarHBondContact O-N 2.8Å; V1656-S1682 VanDerWaalsContact O-N 3.13Å; S1658-S1682 VanDerWaalsContact CB-CB 3.48Å; S1658-S1682 VanDerWaalsContact OG-CB 3.28Å; S1658-S1682 WeakPolarHBondContact OG-CB 3.35Å; S1658-S1682 PolarHBondContact OG-OG 3.37Å; V1680-S1682 VanDerWaalsContact C-N 3.32Å; V1680-S1682 PolarHBondContact O-N 3.18Å; V1680-S1682 PolarHBondContact O-OG 2.91Å; S1682-V1684 WeakPolarHBondContact O-CG2 3.31Å; S1682-V1684 PolarHBondContact O-N 3.22Å
1683	S	43.1	Very low	42.5	Very low	35.2 Å²	35.2	86.8 Å²	86.8	25%	0.246	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	154.5	171.5	59.1	0	0	0	0	110.9	H1640 P1655 V1656 S1658 V1681 Y1685	H1640-S1683 WeakPolarHBondContact CE1-CA 3.3Å; H1640-S1683 VanDerWaalsContact CE1-CB 3.44Å; H1640-S1683 WeakPolarHBondContact CE1-CB 3.39Å; H1640-S1683 PolarHBondContact CE1-N 3.32Å; H1640-S1683 WeakPolarHBondContact ND1-CA 3.36Å; P1655-S1683 CarbonylContact C-O 3.52Å; P1655-S1683 WeakPolarHBondContact CA-O 3.46Å; V1656-S1683 CarbonylContact C-O 3.45Å; V1656-S1683 WeakPolarHBondContact CB-OG 3.28Å; V1656-S1683 WeakPolarHBondContact CG1-OG 3.35Å; V1656-S1683 PolarHBondContact N-O 3.14Å; V1656-S1683 PolarHBondContact O-N 3.13Å; V1656-S1683 VanDerWaalsContact O-O 3.13Å; V1656-S1683 PolarHBondContact O-OG 3.18Å; V1656-S1683 VanDerWaalsContact O-OG 3.1Å; S1658-S1683 WeakPolarHBondContact CA-OG 3.25Å; S1658-S1683 VanDerWaalsContact CB-OG 3.22Å; S1658-S1683 WeakPolarHBondContact CB-OG 3.3Å; S1658-S1683 PolarHBondContact N-O 3.38Å; S1658-S1683 PolarHBondContact N-OG 3.11Å; S1658-S1683 VanDerWaalsContact OG-CB 3.3Å; S1658-S1683 WeakPolarHBondContact OG-CB 3.4Å; S1658-S1683 PolarHBondContact OG-N 3.21Å; S1658-S1683 PolarHBondContact OG-OG 2.83Å; V1681-S1683 PolarHBondContact O-N 3.4Å; V1681-S1683 VanDerWaalsContact O-N 3.14Å; S1683-Y1685 PolarHBondContact O-N 2.67Å
1684	V	47.8	Very low	43.7	Very low	21.8 Å²	21.8	82.2 Å²	82.2	13%	0.132	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	117.4	177.7	177.7	0	0	0	0	107.5	V1637 T1639 V1653 V1654 P1655 S1682 V1686	V1637-V1684 HydrophobicContact CG1-CG1 4.36Å; T1639-V1684 HydrophobicContact CG2-CB 4.06Å; T1639-V1684 HydrophobicContact CG2-CG1 4.44Å; T1639-V1684 HydrophobicContact CG2-CG2 3.83Å; V1653-V1684 HydrophobicContact CG1-CG1 3.5Å; V1654-V1684 CarbonylContact O-C 3.57Å; V1654-V1684 WeakPolarHBondContact O-CA 3.18Å; P1655-V1684 HydrophobicContact CB-CG1 3.76Å; S1682-V1684 WeakPolarHBondContact O-CG2 3.31Å; S1682-V1684 PolarHBondContact O-N 3.22Å; V1684-V1686 VanDerWaalsContact C-N 3.35Å; V1684-V1686 HydrophobicContact CG1-CG2 4.29Å; V1684-V1686 PolarHBondContact O-N 2.95Å
1685	Y	51.7	Low	45	Very low	133 Å²	133	76.8 Å²	76.8	52%	0.522	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	105.9	177.8	-156.5	-92.4	0	0	0	109.9	V1654 V1656 S1683 R1687	V1654-Y1685 HydrophobicContact CB-CD1 4.35Å; V1654-Y1685 HydrophobicContact CG2-CD1 4.35Å; V1654-Y1685 PolarHBondContact N-O 3.22Å; V1654-Y1685 PolarHBondContact O-N 3.1Å; V1656-Y1685 PolarHBondContact O-N 2.8Å; S1683-Y1685 PolarHBondContact O-N 2.67Å; Y1685-R1687 HydrophobicContact CD1-CB 4.34Å; Y1685-R1687 HydrophobicContact CE1-CB 3.86Å; Y1685-R1687 HydrophobicContact CE1-CG 4.36Å; Y1685-R1687 PolarHBondContact O-N 2.97Å; Y1685-R1687 PolarHBondContact OH-NE 3.02Å; Y1685-R1687 VanDerWaalsContact OH-NE 3.12Å; Y1685-R1687 PolarHBondContact OH-NH2 2.85Å; Y1685-R1687 VanDerWaalsContact OH-NH2 3.11Å
1686	V	54.9	Low	46.3	Very low	33.4 Å²	33.4	78.6 Å²	78.6	20%	0.202	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	112.1	-179.9	-179.3	0	0	0	0	110	V1637 H1645 L1647 A1651 L1652 V1653 V1684 K1688	V1637-V1686 HydrophobicContact CB-CG2 4.48Å; V1637-V1686 HydrophobicContact CG1-CG2 4.32Å; H1645-V1686 HydrophobicContact CB-CB 4.34Å; H1645-V1686 HydrophobicContact CB-CG1 4.31Å; H1645-V1686 HydrophobicContact CB-CG2 4.02Å; L1647-V1686 HydrophobicContact CD1-CG1 4.23Å; L1647-V1686 HydrophobicContact CD2-CB 4.34Å; L1647-V1686 HydrophobicContact CD2-CG1 3.75Å; L1647-V1686 VanDerWaalsContact CD2-CG1 3.41Å; L1647-V1686 HydrophobicContact CD2-CG2 4.29Å; A1651-V1686 HydrophobicContact CB-CG1 4.16Å; L1652-V1686 WeakPolarHBondContact O-CA 3.34Å; V1653-V1686 HydrophobicContact CB-CG1 4.41Å; V1653-V1686 HydrophobicContact CG1-CG1 4.13Å; V1653-V1686 HydrophobicContact CG1-CG2 4.21Å; V1653-V1686 HydrophobicContact CG2-CG1 4.2Å; V1653-V1686 HydrophobicContact CG2-CG2 4.37Å; V1684-V1686 VanDerWaalsContact C-N 3.35Å; V1684-V1686 HydrophobicContact CG1-CG2 4.29Å; V1684-V1686 PolarHBondContact O-N 2.95Å; V1686-K1688 PolarHBondContact O-N 3.18Å; V1686-K1688 VanDerWaalsContact O-N 3.11Å
1687	R	55.8	Low	47.5	Very low	86.6 Å²	86.6	79.5 Å²	79.5	33%	0.327	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	104.6	174.6	-139.8	-172.3	-133.2	173.1	1.7	109.8	A1651 L1652 V1656 Y1685 L1689 A1709	A1651-R1687 CarbonylContact C-O 3.56Å; A1651-R1687 WeakPolarHBondContact CA-O 3.37Å; L1652-R1687 HydrophobicContact CB-CB 4.4Å; L1652-R1687 HydrophobicContact CD2-CB 4.47Å; L1652-R1687 PolarHBondContact N-O 3.22Å; L1652-R1687 PolarHBondContact O-N 3.13Å; L1652-R1687 VanDerWaalsContact O-O 3.07Å; V1656-R1687 HydrophobicContact CG2-CG 4.16Å; Y1685-R1687 HydrophobicContact CD1-CB 4.34Å; Y1685-R1687 HydrophobicContact CE1-CB 3.86Å; Y1685-R1687 HydrophobicContact CE1-CG 4.36Å; Y1685-R1687 PolarHBondContact O-N 2.97Å; Y1685-R1687 PolarHBondContact OH-NE 3.02Å; Y1685-R1687 VanDerWaalsContact OH-NE 3.12Å; Y1685-R1687 PolarHBondContact OH-NH2 2.85Å; Y1685-R1687 VanDerWaalsContact OH-NH2 3.11Å; R1687-L1689 VanDerWaalsContact C-N 3.33Å; R1687-L1689 PolarHBondContact O-N 3.09Å; R1687-A1709 PolarHBondContact NH1-O 3.19Å; R1687-A1709 VanDerWaalsContact NH1-O 3.09Å
1688	K	59.2	Low	49	Very low	96.8 Å²	96.8	76 Å²	76	42%	0.421	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	117.8	170.4	-101.4	-179.5	-172.3	178.8	0	110	D1648 K1649 A1651 V1686	D1648-K1688 VanDerWaalsContact CG-NZ 3.28Å; D1648-K1688 VanDerWaalsContact OD1-CE 3.23Å; D1648-K1688 WeakPolarHBondContact OD1-CE 3.44Å; D1648-K1688 IonicContact OD1-NZ 3.33Å; D1648-K1688 PolarHBondContact OD1-NZ 3.08Å; D1648-K1688 IonicContact OD2-NZ 3.31Å; D1648-K1688 PolarHBondContact OD2-NZ 3.08Å; K1649-K1688 HydrophobicContact CB-CD 4.49Å; K1649-K1688 PolarHBondContact O-NZ 2.85Å; A1651-K1688 HydrophobicContact CB-CB 4.4Å; A1651-K1688 HydrophobicContact CB-CD 4.23Å; A1651-K1688 HydrophobicContact CB-CG 4.18Å; V1686-K1688 PolarHBondContact O-N 3.18Å; V1686-K1688 VanDerWaalsContact O-N 3.11Å
1689	L	57.5	Low	50.6	Low	25 Å²	25	71.5 Å²	71.5	13%	0.131	40%	0.403	C	S	.	.			trans	-80.3	142.2	175.3	-67.1	177.4	0	0	0	110.2	L1550 A1650 L1652 R1687 I1691 L1706 A1709	L1550-L1689 HydrophobicContact CD1-CD1 3.81Å; L1550-L1689 HydrophobicContact CD1-CD2 4.21Å; L1550-L1689 HydrophobicContact CD1-CG 4.5Å; L1550-L1689 HydrophobicContact CG-CD1 4.37Å; A1650-L1689 HydrophobicContact CB-CD1 4.19Å; A1650-L1689 PolarHBondContact O-N 3.22Å; L1652-L1689 HydrophobicContact CB-CB 4.25Å; L1652-L1689 HydrophobicContact CB-CD1 4.34Å; L1652-L1689 HydrophobicContact CB-CD2 4.02Å; L1652-L1689 HydrophobicContact CB-CG 4.24Å; L1652-L1689 HydrophobicContact CD2-CD1 3.63Å; L1652-L1689 HydrophobicContact CD2-CG 4.18Å; R1687-L1689 VanDerWaalsContact C-N 3.33Å; R1687-L1689 PolarHBondContact O-N 3.09Å; L1689-I1691 VanDerWaalsContact C-N 3.25Å; L1689-I1691 HydrophobicContact CB-CD1 3.82Å; L1689-I1691 HydrophobicContact CB-CG1 4.1Å; L1689-I1691 HydrophobicContact CD1-CD1 4.11Å; L1689-I1691 PolarHBondContact O-N 3.06Å; L1689-I1691 VanDerWaalsContact O-N 3.12Å; L1689-L1706 HydrophobicContact CB-CD1 4.16Å; L1689-L1706 HydrophobicContact CD1-CD1 3.97Å; L1689-L1706 HydrophobicContact CD2-CD1 4.01Å; L1689-L1706 HydrophobicContact CG-CD1 4.34Å; L1689-A1709 HydrophobicContact CD1-CB 4.16Å; L1689-A1709 HydrophobicContact CD2-CB 4.14Å
1690	P	57	Low	52.1	Low	75 Å²	75	70.5 Å²	70.5	49%	0.487	39%	0.393	S	S	.	.			trans	-78.5	77.4	175.3	33.6	-33.9	0	0	0	109.8	P1692 A1705	P1690-P1692 WeakPolarHBondContact O-CD 3.41Å; P1690-A1705 HydrophobicContact CB-CB 4.06Å; P1690-A1705 HydrophobicContact CG-CB 3.67Å
1691	I	57.4	Low	53.6	Low	43.2 Å²	43.2	70.6 Å²	70.6	22%	0.222	39%	0.39	C	S	.	.			trans	-99.5	128	173.5	-61.5	174.7	0	0	0	107.8	L1540 K1649 A1650 L1652 L1689 V1695 L1698 L1706	L1540-I1691 HydrophobicContact CD1-CD1 4.06Å; L1540-I1691 HydrophobicContact CD1-CG1 4.33Å; L1540-I1691 HydrophobicContact CD2-CD1 3.7Å; L1540-I1691 HydrophobicContact CD2-CG1 4.34Å; L1540-I1691 HydrophobicContact CD2-CG2 4.03Å; K1649-I1691 PolarHBondContact NZ-O 2.83Å; K1649-I1691 VanDerWaalsContact NZ-O 3.16Å; A1650-I1691 HydrophobicContact CB-CD1 3.91Å; L1652-I1691 HydrophobicContact CB-CD1 3.98Å; L1652-I1691 HydrophobicContact CB-CG1 4.42Å; L1652-I1691 HydrophobicContact CD1-CD1 4.25Å; L1652-I1691 VanDerWaalsContact N-CD1 3.35Å; L1689-I1691 VanDerWaalsContact C-N 3.25Å; L1689-I1691 HydrophobicContact CB-CD1 3.82Å; L1689-I1691 HydrophobicContact CB-CG1 4.1Å; L1689-I1691 HydrophobicContact CD1-CD1 4.11Å; L1689-I1691 PolarHBondContact O-N 3.06Å; L1689-I1691 VanDerWaalsContact O-N 3.12Å; I1691-V1695 HydrophobicContact CG2-CG2 3.87Å; I1691-L1698 HydrophobicContact CG1-CD2 4.31Å; I1691-L1698 HydrophobicContact CG2-CD2 4.23Å; I1691-L1706 HydrophobicContact CD1-CD1 4.15Å; I1691-L1706 HydrophobicContact CD1-CD2 4.24Å; I1691-L1706 HydrophobicContact CG1-CD1 4.32Å
1692	P	54.2	Low	54.9	Low	37.2 Å²	37.2	69.4 Å²	69.4	24%	0.242	38%	0.381	C	S	.	.			trans	-62.4	152.8	172.5	17.7	-21.6	0	0	0	110.7	P1690 D1694 V1695 T1697 L1698 D1702	P1690-P1692 WeakPolarHBondContact O-CD 3.41Å; P1692-D1694 PolarHBondContact O-N 3.08Å; P1692-V1695 HydrophobicContact CG-CG2 4.48Å; P1692-T1697 VanDerWaalsContact CB-OG1 3.24Å; P1692-T1697 WeakPolarHBondContact CB-OG1 3.38Å; P1692-T1697 WeakPolarHBondContact CG-OG1 3.35Å; P1692-L1698 HydrophobicContact CG-CD2 4.01Å; P1692-L1698 HydrophobicContact CG-CG 4.24Å; P1692-D1702 HydrophobicContact CG-CB 4.49Å
1693	A	52.7	Low	55.9	Low	105.8 Å²	105.8	70.3 Å²	70.3	87%	0.874	39%	0.386	S	S	*	.	S	Bend	trans	-71.5	-7.9	-177.6	0	0	0	0	0	114
1694	D	54	Low	56.9	Low	78.2 Å²	78.2	71.7 Å²	71.7	42%	0.418	39%	0.39	S	S	.	.			trans	-120.6	116.9	178.9	-176.2	-7.8	0	0	0	108.9	P1692 D1696 T1697	P1692-D1694 PolarHBondContact O-N 3.08Å; D1694-D1696 VanDerWaalsContact C-N 3.29Å; D1694-D1696 PolarHBondContact O-N 3.32Å; D1694-D1696 PolarHBondContact OD1-N 3.01Å; D1694-D1696 VanDerWaalsContact OD1-N 3.1Å; D1694-T1697 HydrophobicContact CB-CG2 4.06Å; D1694-T1697 PolarHBondContact O-N 3.32Å; D1694-T1697 VanDerWaalsContact O-N 3.09Å; D1694-T1697 PolarHBondContact O-OG1 3.22Å
1695	V	54	Low	57.5	Low	64 Å²	64	72.5 Å²	72.5	39%	0.388	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-69.9	-26.8	-175	176.2	0	0	0	0	112	V1537 C1541 P1544 I1691 P1692 T1697 L1698	V1537-V1695 HydrophobicContact CG1-CG1 4.12Å; C1541-V1695 HydrophobicContact CB-CB 4.15Å; C1541-V1695 HydrophobicContact CB-CG1 3.49Å; C1541-V1695 VanDerWaalsContact CB-CG1 3.49Å; C1541-V1695 HydrophobicContact CB-CG2 3.67Å; P1544-V1695 HydrophobicContact CB-CB 3.57Å; P1544-V1695 HydrophobicContact CB-CG1 3.74Å; P1544-V1695 HydrophobicContact CB-CG2 3.44Å; P1544-V1695 VanDerWaalsContact CB-CG2 3.44Å; P1544-V1695 HydrophobicContact CG-CB 3.97Å; P1544-V1695 HydrophobicContact CG-CG1 4.38Å; P1544-V1695 HydrophobicContact CG-CG2 3.74Å; I1691-V1695 HydrophobicContact CG2-CG2 3.87Å; P1692-V1695 HydrophobicContact CG-CG2 4.48Å; V1695-T1697 PolarHBondContact O-N 3.03Å; V1695-T1697 VanDerWaalsContact O-N 3.13Å; V1695-L1698 HydrophobicContact CB-CD1 4.36Å; V1695-L1698 HydrophobicContact CB-CG 4.48Å; V1695-L1698 HydrophobicContact CG1-CD1 4.02Å; V1695-L1698 HydrophobicContact CG1-CG 3.94Å; V1695-L1698 HydrophobicContact CG2-CD1 3.88Å; V1695-L1698 WeakPolarHBondContact O-CB 3.31Å; V1695-L1698 PolarHBondContact O-N 3.22Å; V1695-L1698 VanDerWaalsContact O-N 3.11Å
1696	D	52.9	Low	58	Low	150.8 Å²	150.8	67.5 Å²	67.5	81%	0.806	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-71.5	-6.4	175.4	-67.4	-24.3	0	0	0	112.2	D1694	D1694-D1696 VanDerWaalsContact C-N 3.29Å; D1694-D1696 PolarHBondContact O-N 3.32Å; D1694-D1696 PolarHBondContact OD1-N 3.01Å; D1694-D1696 VanDerWaalsContact OD1-N 3.1Å
1697	T	54	Low	58.2	Low	76.4 Å²	76.4	69.2 Å²	69.2	47%	0.469	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-110	10.6	179.4	68.8	0	0	0	0	114.9	P1692 D1694 V1695 S1699	P1692-T1697 VanDerWaalsContact CB-OG1 3.24Å; P1692-T1697 WeakPolarHBondContact CB-OG1 3.38Å; P1692-T1697 WeakPolarHBondContact CG-OG1 3.35Å; D1694-T1697 HydrophobicContact CB-CG2 4.06Å; D1694-T1697 PolarHBondContact O-N 3.32Å; D1694-T1697 VanDerWaalsContact O-N 3.09Å; D1694-T1697 PolarHBondContact O-OG1 3.22Å; V1695-T1697 PolarHBondContact O-N 3.03Å; V1695-T1697 VanDerWaalsContact O-N 3.13Å; T1697-S1699 PolarHBondContact O-N 3.21Å
1698	L	58.9	Low	58.5	Low	54 Å²	54	69.6 Å²	69.6	28%	0.283	40%	0.395	S	S	.	.			trans	-57.8	111.5	174	-83.4	171.5	0	0	0	111.6	V1537 I1691 P1692 V1695 D1702 V1703	V1537-L1698 HydrophobicContact CG1-CD1 3.94Å; V1537-L1698 HydrophobicContact CG2-CD1 4.11Å; I1691-L1698 HydrophobicContact CG1-CD2 4.31Å; I1691-L1698 HydrophobicContact CG2-CD2 4.23Å; P1692-L1698 HydrophobicContact CG-CD2 4.01Å; P1692-L1698 HydrophobicContact CG-CG 4.24Å; V1695-L1698 HydrophobicContact CB-CD1 4.36Å; V1695-L1698 HydrophobicContact CB-CG 4.48Å; V1695-L1698 HydrophobicContact CG1-CD1 4.02Å; V1695-L1698 HydrophobicContact CG1-CG 3.94Å; V1695-L1698 HydrophobicContact CG2-CD1 3.88Å; V1695-L1698 WeakPolarHBondContact O-CB 3.31Å; V1695-L1698 PolarHBondContact O-N 3.22Å; V1695-L1698 VanDerWaalsContact O-N 3.11Å; L1698-D1702 HydrophobicContact CD2-CB 3.99Å; L1698-V1703 HydrophobicContact CB-CG2 4.41Å; L1698-V1703 HydrophobicContact CD2-CG2 4.42Å
1699	S	61.3	Low	58.3	Low	46.4 Å²	46.4	65.4 Å²	65.4	32%	0.324	38%	0.379	S	S	.	.			trans	-80.1	163.8	176.1	76.5	0	0	0	0	111.9	T1697 D1701 D1702 V1703	T1697-S1699 PolarHBondContact O-N 3.21Å; S1699-D1701 PolarHBondContact O-N 3.17Å; S1699-D1701 PolarHBondContact OG-N 3.33Å; S1699-D1702 VanDerWaalsContact CB-OD2 3.26Å; S1699-D1702 WeakPolarHBondContact CB-OD2 3.34Å; S1699-D1702 PolarHBondContact N-OD2 3.05Å; S1699-D1702 PolarHBondContact O-N 3.29Å; S1699-D1702 VanDerWaalsContact O-N 3.15Å; S1699-D1702 VanDerWaalsContact OG-CG 3.27Å; S1699-D1702 PolarHBondContact OG-N 3.09Å; S1699-D1702 VanDerWaalsContact OG-N 3.14Å; S1699-D1702 PolarHBondContact OG-OD2 3.06Å; S1699-V1703 WeakPolarHBondContact O-CG2 3.36Å; S1699-V1703 PolarHBondContact O-N 3.1Å; S1699-V1703 VanDerWaalsContact O-N 3.13Å
1700	F	62.4	Low	58.3	Low	112 Å²	112	66.7 Å²	66.7	49%	0.491	39%	0.386	S	S	.	.	H	α-helix	trans	-57.2	-35.6	171.3	175.8	-96.5	0	0	0	112.1	V1521 V1523 V1703 L1704	V1521-F1700 HydrophobicContact CB-CD2 4.19Å; V1521-F1700 HydrophobicContact CB-CE2 4.32Å; V1521-F1700 HydrophobicContact CB-CZ 3.64Å; V1521-F1700 HydrophobicContact CG1-CD2 3.78Å; V1521-F1700 HydrophobicContact CG1-CE2 3.9Å; V1521-F1700 VanDerWaalsContact CG1-CE2 3.46Å; V1521-F1700 HydrophobicContact CG1-CZ 4.08Å; V1521-F1700 HydrophobicContact CG2-CD2 4.34Å; V1521-F1700 HydrophobicContact CG2-CE1 4.11Å; V1521-F1700 HydrophobicContact CG2-CE2 4.47Å; V1521-F1700 HydrophobicContact CG2-CZ 3.65Å; V1523-F1700 HydrophobicContact CG2-CE2 4.28Å; F1700-V1703 PolarHBondContact O-N 3.08Å; F1700-L1704 HydrophobicContact CE1-CB 4.4Å; F1700-L1704 HydrophobicContact CE1-CD2 4.04Å; F1700-L1704 HydrophobicContact CZ-CB 4.47Å; F1700-L1704 HydrophobicContact CZ-CD2 4.3Å; F1700-L1704 VanDerWaalsContact O-CB 3.29Å; F1700-L1704 WeakPolarHBondContact O-CB 3.33Å; F1700-L1704 PolarHBondContact O-N 3Å
1701	D	64.6	Low	58.3	Low	111.2 Å²	111.2	70.4 Å²	70.4	60%	0.595	39%	0.39	S	S	*	.	H	α-helix	trans	-70.6	-33.4	178.2	-72.5	-31.8	0	0	0	112.1	S1699 L1704 A1705	S1699-D1701 PolarHBondContact O-N 3.17Å; S1699-D1701 PolarHBondContact OG-N 3.33Å; D1701-L1704 PolarHBondContact O-N 2.95Å; D1701-A1705 VanDerWaalsContact O-CB 3.28Å; D1701-A1705 WeakPolarHBondContact O-CB 3.29Å; D1701-A1705 PolarHBondContact O-N 3.32Å
1702	D	61	Low	57.9	Low	43.2 Å²	43.2	72.4 Å²	72.4	23%	0.231	40%	0.401	C	S	.	.	H	α-helix	trans	-66.6	-44	172.9	-60.3	-61.9	0	0	0	111.1	P1692 L1698 S1699 L1704 A1705 L1706	P1692-D1702 HydrophobicContact CG-CB 4.49Å; L1698-D1702 HydrophobicContact CD2-CB 3.99Å; S1699-D1702 VanDerWaalsContact CB-OD2 3.26Å; S1699-D1702 WeakPolarHBondContact CB-OD2 3.34Å; S1699-D1702 PolarHBondContact N-OD2 3.05Å; S1699-D1702 PolarHBondContact O-N 3.29Å; S1699-D1702 VanDerWaalsContact O-N 3.15Å; S1699-D1702 VanDerWaalsContact OG-CG 3.27Å; S1699-D1702 PolarHBondContact OG-N 3.09Å; S1699-D1702 VanDerWaalsContact OG-N 3.14Å; S1699-D1702 PolarHBondContact OG-OD2 3.06Å; D1702-L1704 VanDerWaalsContact C-N 3.33Å; D1702-L1704 PolarHBondContact O-N 3.27Å; D1702-A1705 PolarHBondContact O-N 2.97Å; D1702-L1706 VanDerWaalsContact O-CB 3.26Å; D1702-L1706 WeakPolarHBondContact O-CB 3.39Å; D1702-L1706 PolarHBondContact O-N 3.1Å
1703	V	60.4	Low	57.6	Low	48 Å²	48	71.3 Å²	71.3	29%	0.291	40%	0.396	S	S	.	.	H	α-helix	trans	-64.2	-39.5	175.5	176.2	0	0	0	0	111	L1698 S1699 F1700 L1706 L1707	L1698-V1703 HydrophobicContact CB-CG2 4.41Å; L1698-V1703 HydrophobicContact CD2-CG2 4.42Å; S1699-V1703 WeakPolarHBondContact O-CG2 3.36Å; S1699-V1703 PolarHBondContact O-N 3.1Å; S1699-V1703 VanDerWaalsContact O-N 3.13Å; F1700-V1703 PolarHBondContact O-N 3.08Å; V1703-L1706 WeakPolarHBondContact O-CB 3.44Å; V1703-L1706 PolarHBondContact O-N 2.98Å; V1703-L1707 HydrophobicContact CG1-CD1 4.09Å; V1703-L1707 WeakPolarHBondContact O-CB 3.27Å; V1703-L1707 WeakPolarHBondContact O-CD1 3.33Å; V1703-L1707 VanDerWaalsContact O-CG 3.29Å; V1703-L1707 WeakPolarHBondContact O-CG 3.35Å; V1703-L1707 PolarHBondContact O-N 3.11Å
1704	L	63.9	Low	57.2	Low	63.4 Å²	63.4	68.7 Å²	68.7	33%	0.332	37%	0.37	S	S	.	.	H	α-helix	trans	-68.4	-40.1	175.6	-177.2	59.8	0	0	0	111.9	V1523 F1700 D1701 D1702 L1706 L1707 M1708	V1523-L1704 HydrophobicContact CG2-CD1 3.62Å; F1700-L1704 HydrophobicContact CE1-CB 4.4Å; F1700-L1704 HydrophobicContact CE1-CD2 4.04Å; F1700-L1704 HydrophobicContact CZ-CB 4.47Å; F1700-L1704 HydrophobicContact CZ-CD2 4.3Å; F1700-L1704 VanDerWaalsContact O-CB 3.29Å; F1700-L1704 WeakPolarHBondContact O-CB 3.33Å; F1700-L1704 PolarHBondContact O-N 3Å; D1701-L1704 PolarHBondContact O-N 2.95Å; D1702-L1704 VanDerWaalsContact C-N 3.33Å; D1702-L1704 PolarHBondContact O-N 3.27Å; L1704-L1706 VanDerWaalsContact C-N 3.35Å; L1704-L1707 PolarHBondContact O-N 3.03Å; L1704-M1708 HydrophobicContact CD1-CG 4.43Å; L1704-M1708 WeakPolarHBondContact O-CB 3.21Å; L1704-M1708 WeakPolarHBondContact O-CG 3.37Å; L1704-M1708 PolarHBondContact O-N 3.16Å
1705	A	59.4	Low	56.6	Low	39.8 Å²	39.8	71 Å²	71	33%	0.329	38%	0.378	S	S	.	.	H	α-helix	trans	-65.9	-38.7	174.9	0	0	0	0	0	111.9	P1690 D1701 D1702 M1708 A1709	P1690-A1705 HydrophobicContact CB-CB 4.06Å; P1690-A1705 HydrophobicContact CG-CB 3.67Å; D1701-A1705 VanDerWaalsContact O-CB 3.28Å; D1701-A1705 WeakPolarHBondContact O-CB 3.29Å; D1701-A1705 PolarHBondContact O-N 3.32Å; D1702-A1705 PolarHBondContact O-N 2.97Å; A1705-M1708 PolarHBondContact O-N 3.07Å; A1705-A1709 VanDerWaalsContact O-CB 3.27Å; A1705-A1709 WeakPolarHBondContact O-CB 3.36Å; A1705-A1709 PolarHBondContact O-N 3.32Å
1706	L	61.5	Low	55.8	Low	28 Å²	28	70.4 Å²	70.4	15%	0.147	38%	0.384	C	S	.	.	H	α-helix	trans	-61.6	-48.8	171.3	174.4	63.9	0	0	0	111.2	L1536 V1537 L1540 L1652 L1689 I1691 D1702 V1703 L1704 M1708 A1709 L1710	L1536-L1706 HydrophobicContact CD2-CD1 4.13Å; L1536-L1706 HydrophobicContact CD2-CD2 4.11Å; L1536-L1706 HydrophobicContact CD2-CG 4.31Å; V1537-L1706 HydrophobicContact CG2-CD2 4.42Å; L1540-L1706 HydrophobicContact CD1-CD2 3.87Å; L1652-L1706 HydrophobicContact CD1-CD1 3.76Å; L1652-L1706 HydrophobicContact CD2-CB 4.3Å; L1652-L1706 HydrophobicContact CD2-CD1 3.35Å; L1652-L1706 VanDerWaalsContact CD2-CD1 3.4Å; L1652-L1706 HydrophobicContact CD2-CG 4.45Å; L1652-L1706 HydrophobicContact CG-CD1 4.2Å; L1689-L1706 HydrophobicContact CB-CD1 4.16Å; L1689-L1706 HydrophobicContact CD1-CD1 3.97Å; L1689-L1706 HydrophobicContact CD2-CD1 4.01Å; L1689-L1706 HydrophobicContact CG-CD1 4.34Å; I1691-L1706 HydrophobicContact CD1-CD1 4.15Å; I1691-L1706 HydrophobicContact CD1-CD2 4.24Å; I1691-L1706 HydrophobicContact CG1-CD1 4.32Å; D1702-L1706 VanDerWaalsContact O-CB 3.26Å; D1702-L1706 WeakPolarHBondContact O-CB 3.39Å; D1702-L1706 PolarHBondContact O-N 3.1Å; V1703-L1706 WeakPolarHBondContact O-CB 3.44Å; V1703-L1706 PolarHBondContact O-N 2.98Å; L1704-L1706 VanDerWaalsContact C-N 3.35Å; L1706-M1708 VanDerWaalsContact C-N 3.33Å; L1706-M1708 PolarHBondContact O-N 3.38Å; L1706-A1709 PolarHBondContact O-N 3.03Å; L1706-L1710 HydrophobicContact CD1-CD1 4.06Å; L1706-L1710 HydrophobicContact CD1-CG 4.19Å; L1706-L1710 HydrophobicContact CG-CD1 4.13Å; L1706-L1710 WeakPolarHBondContact O-CB 3.34Å; L1706-L1710 WeakPolarHBondContact O-CD1 3.33Å; L1706-L1710 VanDerWaalsContact O-CG 3.28Å; L1706-L1710 WeakPolarHBondContact O-CG 3.43Å; L1706-L1710 PolarHBondContact O-N 3.03Å
1707	L	61.1	Low	54.9	Low	68.2 Å²	68.2	66.1 Å²	66.1	36%	0.357	37%	0.37	S	S	.	.	H	α-helix	trans	-60.6	-41.4	176.1	-77.8	165.2	0	0	0	112.4	V1523 I1525 L1533 V1703 L1704 L1710 R1711	V1523-L1707 HydrophobicContact CB-CD1 4.14Å; V1523-L1707 HydrophobicContact CG1-CB 4.49Å; V1523-L1707 HydrophobicContact CG1-CD1 4.03Å; V1523-L1707 HydrophobicContact CG2-CD1 4.19Å; I1525-L1707 HydrophobicContact CG2-CD2 3.84Å; L1533-L1707 HydrophobicContact CD1-CD2 3.55Å; L1533-L1707 VanDerWaalsContact CD1-CD2 3.48Å; L1533-L1707 HydrophobicContact CD2-CD2 3.59Å; L1533-L1707 HydrophobicContact CD2-CG 4.35Å; L1533-L1707 HydrophobicContact CG-CD2 4.24Å; V1703-L1707 HydrophobicContact CG1-CD1 4.09Å; V1703-L1707 WeakPolarHBondContact O-CB 3.27Å; V1703-L1707 WeakPolarHBondContact O-CD1 3.33Å; V1703-L1707 VanDerWaalsContact O-CG 3.29Å; V1703-L1707 WeakPolarHBondContact O-CG 3.35Å; V1703-L1707 PolarHBondContact O-N 3.11Å; L1704-L1707 PolarHBondContact O-N 3.03Å; L1707-L1710 PolarHBondContact O-N 3.44Å; L1707-R1711 VanDerWaalsContact O-CB 3.27Å; L1707-R1711 WeakPolarHBondContact O-CB 3.36Å; L1707-R1711 PolarHBondContact O-N 2.94Å
1708	M	61.7	Low	53.8	Low	94.6 Å²	94.6	68.6 Å²	68.6	47%	0.466	38%	0.378	S	S	.	.	H	α-helix	trans	-67.4	-42.1	174.6	-74.5	-156.7	51.8	0	0	112	L1704 A1705 L1706 L1710 R1711 D1712	L1704-M1708 HydrophobicContact CD1-CG 4.43Å; L1704-M1708 WeakPolarHBondContact O-CB 3.21Å; L1704-M1708 WeakPolarHBondContact O-CG 3.37Å; L1704-M1708 PolarHBondContact O-N 3.16Å; A1705-M1708 PolarHBondContact O-N 3.07Å; L1706-M1708 VanDerWaalsContact C-N 3.33Å; L1706-M1708 PolarHBondContact O-N 3.38Å; M1708-L1710 VanDerWaalsContact C-N 3.29Å; M1708-L1710 PolarHBondContact O-N 3.11Å; M1708-R1711 WeakPolarHBondContact O-CB 3.19Å; M1708-R1711 PolarHBondContact O-N 3.38Å; M1708-R1711 VanDerWaalsContact O-N 3.15Å; M1708-D1712 VanDerWaalsContact O-CB 3.28Å; M1708-D1712 WeakPolarHBondContact O-CB 3.29Å; M1708-D1712 VanDerWaalsContact O-CG 3.22Å; M1708-D1712 PolarHBondContact O-N 3.03Å; M1708-D1712 VanDerWaalsContact O-N 3.07Å
1709	A	55.3	Low	52.3	Low	10 Å²	10	72.1 Å²	72.1	8%	0.083	39%	0.392	C	S	.	.	H	α-helix	trans	-63	-35	176.9	0	0	0	0	0	112.7	V1654 R1687 L1689 A1705 L1706 R1711 D1712 A1713	V1654-A1709 HydrophobicContact CB-CB 4.38Å; V1654-A1709 HydrophobicContact CG1-CB 4.24Å; V1654-A1709 VanDerWaalsContact CG1-O 3.32Å; V1654-A1709 WeakPolarHBondContact CG1-O 3.35Å; V1654-A1709 HydrophobicContact CG2-CB 3.84Å; R1687-A1709 PolarHBondContact NH1-O 3.19Å; R1687-A1709 VanDerWaalsContact NH1-O 3.09Å; L1689-A1709 HydrophobicContact CD1-CB 4.16Å; L1689-A1709 HydrophobicContact CD2-CB 4.14Å; A1705-A1709 VanDerWaalsContact O-CB 3.27Å; A1705-A1709 WeakPolarHBondContact O-CB 3.36Å; A1705-A1709 PolarHBondContact O-N 3.32Å; L1706-A1709 PolarHBondContact O-N 3.03Å; A1709-R1711 VanDerWaalsContact C-N 3.29Å; A1709-R1711 PolarHBondContact O-N 2.6Å; A1709-D1712 PolarHBondContact O-N 2.84Å; A1709-A1713 WeakPolarHBondContact O-CB 3.23Å; A1709-A1713 PolarHBondContact O-N 3.15Å
1710	L	57	Low	50.6	Low	52 Å²	52	74.5 Å²	74.5	27%	0.272	41%	0.409	S	S	.	.	H	α-helix	trans	-74.6	-35	173.5	-71.3	167.9	0	0	0	112.9	L1529 L1533 L1536 L1550 L1652 L1706 L1707 M1708 D1712 A1713 P1714	L1529-L1710 HydrophobicContact CD1-CB 4.39Å; L1533-L1710 HydrophobicContact CD2-CD1 3.44Å; L1533-L1710 VanDerWaalsContact CD2-CD1 3.44Å; L1533-L1710 HydrophobicContact CG-CD1 4.31Å; L1536-L1710 HydrophobicContact CD2-CD1 3.69Å; L1536-L1710 HydrophobicContact CD2-CD2 4.08Å; L1536-L1710 HydrophobicContact CD2-CG 4.41Å; L1550-L1710 HydrophobicContact CD1-CD2 3.6Å; L1652-L1710 HydrophobicContact CD1-CD2 4.03Å; L1652-L1710 HydrophobicContact CD2-CD2 4.03Å; L1706-L1710 HydrophobicContact CD1-CD1 4.06Å; L1706-L1710 HydrophobicContact CD1-CG 4.19Å; L1706-L1710 HydrophobicContact CG-CD1 4.13Å; L1706-L1710 WeakPolarHBondContact O-CB 3.34Å; L1706-L1710 WeakPolarHBondContact O-CD1 3.33Å; L1706-L1710 VanDerWaalsContact O-CG 3.28Å; L1706-L1710 WeakPolarHBondContact O-CG 3.43Å; L1706-L1710 PolarHBondContact O-N 3.03Å; L1707-L1710 PolarHBondContact O-N 3.44Å; M1708-L1710 VanDerWaalsContact C-N 3.29Å; M1708-L1710 PolarHBondContact O-N 3.11Å; L1710-D1712 VanDerWaalsContact C-N 3.28Å; L1710-D1712 PolarHBondContact O-N 3.04Å; L1710-A1713 WeakPolarHBondContact O-CB 3.39Å; L1710-A1713 PolarHBondContact O-N 3.09Å; L1710-P1714 WeakPolarHBondContact O-CD 3.4Å
1711	R	55.9	Low	48.8	Very low	152.2 Å²	152.2	77.4 Å²	77.4	57%	0.574	42%	0.418	S	S	*	.	H	α-helix	trans	-69.2	-38.3	175.1	179.7	-175.8	156.1	176	-1.6	112.4	L1707 M1708 A1709 A1713 P1714 H1715	L1707-R1711 VanDerWaalsContact O-CB 3.27Å; L1707-R1711 WeakPolarHBondContact O-CB 3.36Å; L1707-R1711 PolarHBondContact O-N 2.94Å; M1708-R1711 WeakPolarHBondContact O-CB 3.19Å; M1708-R1711 PolarHBondContact O-N 3.38Å; M1708-R1711 VanDerWaalsContact O-N 3.15Å; A1709-R1711 VanDerWaalsContact C-N 3.29Å; A1709-R1711 PolarHBondContact O-N 2.6Å; R1711-A1713 VanDerWaalsContact C-N 3.28Å; R1711-A1713 PolarHBondContact O-N 3.04Å; R1711-P1714 VanDerWaalsContact O-CD 3.27Å; R1711-P1714 WeakPolarHBondContact O-CD 3.38Å; R1711-H1715 PolarHBondContact O-CD2 3.29Å; R1711-H1715 PolarHBondContact O-CE1 2.73Å
1712	D	50.4	Low	46.9	Very low	85.2 Å²	85.2	77.8 Å²	77.8	46%	0.456	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.3	178	-67.4	-13.9	0	0	0	112.5	M1708 A1709 L1710 P1714 H1715 G1716	M1708-D1712 VanDerWaalsContact O-CB 3.28Å; M1708-D1712 WeakPolarHBondContact O-CB 3.29Å; M1708-D1712 VanDerWaalsContact O-CG 3.22Å; M1708-D1712 PolarHBondContact O-N 3.03Å; M1708-D1712 VanDerWaalsContact O-N 3.07Å; A1709-D1712 PolarHBondContact O-N 2.84Å; L1710-D1712 VanDerWaalsContact C-N 3.28Å; L1710-D1712 PolarHBondContact O-N 3.04Å; D1712-P1714 VanDerWaalsContact C-CD 3.46Å; D1712-H1715 PolarHBondContact O-N 3.12Å; D1712-H1715 VanDerWaalsContact O-N 3.13Å; D1712-G1716 PolarHBondContact O-N 2.92Å; D1712-G1716 VanDerWaalsContact O-N 3.12Å
1713	A	47.7	Very low	45.3	Very low	14.6 Å²	14.6	82.9 Å²	82.9	12%	0.121	45%	0.453	C	S	.	.	S	Bend	trans	-61.4	115	172.3	0	0	0	0	0	111.3	L1652 V1654 A1709 L1710 R1711 H1715	L1652-A1713 HydrophobicContact CD1-CB 4.1Å; L1652-A1713 HydrophobicContact CD2-CB 3.7Å; L1652-A1713 VanDerWaalsContact CD2-CB 3.46Å; L1652-A1713 HydrophobicContact CG-CB 4.39Å; V1654-A1713 HydrophobicContact CG1-CB 3.89Å; V1654-A1713 HydrophobicContact CG2-CB 4.29Å; A1709-A1713 WeakPolarHBondContact O-CB 3.23Å; A1709-A1713 PolarHBondContact O-N 3.15Å; L1710-A1713 WeakPolarHBondContact O-CB 3.39Å; L1710-A1713 PolarHBondContact O-N 3.09Å; R1711-A1713 VanDerWaalsContact C-N 3.28Å; R1711-A1713 PolarHBondContact O-N 3.04Å; A1713-H1715 VanDerWaalsContact C-N 3.33Å; A1713-H1715 PolarHBondContact O-N 3.23Å; A1713-H1715 VanDerWaalsContact O-N 3.1Å; A1713-H1715 PolarHBondContact O-ND1 2.95Å; A1713-H1715 VanDerWaalsContact O-ND1 3.16Å
1714	P	44.4	Very low	43.6	Very low	50.8 Å²	50.8	87.5 Å²	87.5	33%	0.33	48%	0.476	S	S	.	.			trans	-68.7	70.4	-173	10.6	-9.9	0	0	0	111.9	Y1528 C1565 V1654 V1656 R1657 L1710 R1711 D1712 G1716 A1717 M1718	Y1528-P1714 HydrophobicContact CE2-CG 4.37Å; Y1528-P1714 VanDerWaalsContact OH-CG 3.29Å; Y1528-P1714 WeakPolarHBondContact OH-CG 3.17Å; C1565-P1714 HydrophobicContact CB-CB 4.16Å; C1565-P1714 HydrophobicContact CB-CG 4.38Å; V1654-P1714 HydrophobicContact CG1-CG 4.22Å; V1656-P1714 HydrophobicContact CG2-CG 3.9Å; R1657-P1714 HydrophobicContact CG-CG 4.32Å; L1710-P1714 WeakPolarHBondContact O-CD 3.4Å; R1711-P1714 VanDerWaalsContact O-CD 3.27Å; R1711-P1714 WeakPolarHBondContact O-CD 3.38Å; D1712-P1714 VanDerWaalsContact C-CD 3.46Å; P1714-G1716 PolarHBondContact O-N 2.98Å; P1714-A1717 PolarHBondContact O-N 2.69Å; P1714-M1718 WeakPolarHBondContact O-CB 3.44Å
1715	H	41.6	Very low	41.8	Very low	126.4 Å²	126.4	92.4 Å²	92.4	59%	0.585	50%	0.5	S	S	*	.			trans	-77.5	20.5	-175.8	-64.2	-27.8	0	0	0	112.7	R1711 D1712 A1713 A1717 M1718 Q1719	R1711-H1715 PolarHBondContact O-CD2 3.29Å; R1711-H1715 PolarHBondContact O-CE1 2.73Å; D1712-H1715 PolarHBondContact O-N 3.12Å; D1712-H1715 VanDerWaalsContact O-N 3.13Å; A1713-H1715 VanDerWaalsContact C-N 3.33Å; A1713-H1715 PolarHBondContact O-N 3.23Å; A1713-H1715 VanDerWaalsContact O-N 3.1Å; A1713-H1715 PolarHBondContact O-ND1 2.95Å; A1713-H1715 VanDerWaalsContact O-ND1 3.16Å; H1715-A1717 WeakPolarHBondContact O-CA 3.12Å; H1715-A1717 PolarHBondContact O-N 3.17Å; H1715-M1718 CarbonylContact O-C 3.57Å; H1715-M1718 WeakPolarHBondContact O-CA 3.39Å; H1715-M1718 PolarHBondContact O-N 3.19Å; H1715-Q1719 PolarHBondContact O-N 3.45Å
1716	G	35.7	Very low	40.3	Very low	50.8 Å²	50.8	97.3 Å²	97.3	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-64.6	11.9	174.5	0	0	0	0	0	113.2	R1586 D1712 P1714 M1718	R1586-G1716 PolarHBondContact NE-O 3.48Å; R1586-G1716 PolarHBondContact NH2-O 2.88Å; R1586-G1716 VanDerWaalsContact NH2-O 3.09Å; D1712-G1716 PolarHBondContact O-N 2.92Å; D1712-G1716 VanDerWaalsContact O-N 3.12Å; P1714-G1716 PolarHBondContact O-N 2.98Å; G1716-M1718 VanDerWaalsContact C-N 3.31Å; G1716-M1718 PolarHBondContact O-N 3.49Å
1717	A	33.6	Very low	38.6	Very low	61.6 Å²	61.6	99 Å²	99	51%	0.509	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	30	-177.6	0	0	0	0	0	113.4	V1654 V1656 P1714 H1715 Q1719	V1654-A1717 HydrophobicContact CG1-CB 3.93Å; V1656-A1717 HydrophobicContact CB-CB 4.36Å; V1656-A1717 HydrophobicContact CG1-CB 3.99Å; V1656-A1717 HydrophobicContact CG2-CB 3.98Å; P1714-A1717 PolarHBondContact O-N 2.69Å; H1715-A1717 WeakPolarHBondContact O-CA 3.12Å; H1715-A1717 PolarHBondContact O-N 3.17Å; A1717-Q1719 HydrophobicContact CB-CB 4.31Å; A1717-Q1719 HydrophobicContact CB-CG 4.38Å; A1717-Q1719 PolarHBondContact O-N 3.38Å
1718	M	30.9	Very low	37	Very low	128.2 Å²	128.2	101.8 Å²	101.8	63%	0.632	56%	0.563	S	S	*	*			trans	-103.8	41.3	172	-69.4	-68.1	-169.8	0	0	113	P1714 H1715 G1716 S1720 T2703	P1714-M1718 WeakPolarHBondContact O-CB 3.44Å; H1715-M1718 CarbonylContact O-C 3.57Å; H1715-M1718 WeakPolarHBondContact O-CA 3.39Å; H1715-M1718 PolarHBondContact O-N 3.19Å; G1716-M1718 VanDerWaalsContact C-N 3.31Å; G1716-M1718 PolarHBondContact O-N 3.49Å; M1718-S1720 PolarHBondContact O-N 3.42Å; M1718-T2703 VanDerWaalsContact C-OG1 3.28Å; M1718-T2703 WeakPolarHBondContact O-CB 3.13Å; M1718-T2703 PolarHBondContact O-OG1 3.35Å; M1718-T2703 HydrophobicContact SD-CG2 4.32Å
1719	Q	27.7	Very low	35.4	Very low	126.8 Å²	126.8	104.7 Å²	104.7	59%	0.593	58%	0.58	S	S	*	*			trans	-93.8	104.4	156	-78.6	-161.1	-0.8	0	0	109.6	H1715 A1717 Y1721 T2703	H1715-Q1719 PolarHBondContact O-N 3.45Å; A1717-Q1719 HydrophobicContact CB-CB 4.31Å; A1717-Q1719 HydrophobicContact CB-CG 4.38Å; A1717-Q1719 PolarHBondContact O-N 3.38Å; Q1719-Y1721 VanDerWaalsContact C-N 3.32Å; Q1719-Y1721 HydrophobicContact CB-CD2 4.24Å; Q1719-Y1721 HydrophobicContact CB-CE2 4.12Å; Q1719-Y1721 WeakPolarHBondContact O-CD2 3.04Å; Q1719-Y1721 PolarHBondContact O-N 3.13Å; Q1719-Y1721 VanDerWaalsContact OE1-CE2 3.24Å; Q1719-Y1721 VanDerWaalsContact OE1-CZ 3.3Å; Q1719-Y1721 PolarHBondContact OE1-OH 3.17Å; Q1719-T2703 VanDerWaalsContact CA-OG1 3.26Å; Q1719-T2703 WeakPolarHBondContact CA-OG1 3.27Å
1720	S	25.4	Very low	34.2	Very low	97.2 Å²	97.2	110.4 Å²	110.4	68%	0.68	61%	0.614	S	S	*	*			trans	-72.2	85.4	163.9	10.5	0	0	0	0	108.4	M1718 P1722 T2703	M1718-S1720 PolarHBondContact O-N 3.42Å; S1720-P1722 VanDerWaalsContact O-CD 3.27Å; S1720-P1722 WeakPolarHBondContact O-CD 3.29Å; S1720-P1722 VanDerWaalsContact O-N 3.15Å; S1720-T2703 VanDerWaalsContact N-CG2 3.26Å; S1720-T2703 PolarHBondContact N-OG1 3.35Å; S1720-T2703 WeakPolarHBondContact OG-CA 2.9Å
1721	Y	24.9	Very low	32.8	Very low	173 Å²	173	115.7 Å²	115.7	68%	0.678	64%	0.643	S	S	*	*			trans	-55.2	123.4	167	-77.5	-87.7	0	0	0	108.4	Q1719 L1723	Q1719-Y1721 VanDerWaalsContact C-N 3.32Å; Q1719-Y1721 HydrophobicContact CB-CD2 4.24Å; Q1719-Y1721 HydrophobicContact CB-CE2 4.12Å; Q1719-Y1721 WeakPolarHBondContact O-CD2 3.04Å; Q1719-Y1721 PolarHBondContact O-N 3.13Å; Q1719-Y1721 VanDerWaalsContact OE1-CE2 3.24Å; Q1719-Y1721 VanDerWaalsContact OE1-CZ 3.3Å; Q1719-Y1721 PolarHBondContact OE1-OH 3.17Å; Y1721-L1723 VanDerWaalsContact C-N 3.3Å; Y1721-L1723 PolarHBondContact O-N 3.13Å
1722	P	25.4	Very low	31.6	Very low	120.4 Å²	120.4	112.1 Å²	112.1	78%	0.782	65%	0.653	S	S	*	*			trans	-71.3	91.4	173.5	29.5	-32.2	0	0	0	107.8	S1720 N1724	S1720-P1722 VanDerWaalsContact O-CD 3.27Å; S1720-P1722 WeakPolarHBondContact O-CD 3.29Å; S1720-P1722 VanDerWaalsContact O-N 3.15Å; P1722-N1724 VanDerWaalsContact C-N 3.29Å; P1722-N1724 PolarHBondContact O-N 3.1Å; P1722-N1724 VanDerWaalsContact O-N 3.08Å
1723	L	27.1	Very low	30.6	Very low	149.6 Å²	149.6	117.1 Å²	117.1	78%	0.783	67%	0.674	S	S	*	*			trans	-64.6	99.1	171.1	-91.8	173.1	0	0	0	107.6	Y1721 M1725	Y1721-L1723 VanDerWaalsContact C-N 3.3Å; Y1721-L1723 PolarHBondContact O-N 3.13Å; L1723-M1725 HydrophobicContact CB-CG 4.34Å; L1723-M1725 PolarHBondContact O-N 3.12Å
1724	N	24.4	Very low	29.5	Very low	144 Å²	144	123.9 Å²	123.9	77%	0.77	71%	0.708	S	S	*	*			trans	-72.8	76.4	179.6	-148	15.3	0	0	0	108.8	P1722 I1726	P1722-N1724 VanDerWaalsContact C-N 3.29Å; P1722-N1724 PolarHBondContact O-N 3.1Å; P1722-N1724 VanDerWaalsContact O-N 3.08Å; N1724-I1726 VanDerWaalsContact C-N 3.34Å; N1724-I1726 PolarHBondContact O-N 3.15Å; N1724-I1726 VanDerWaalsContact O-N 3.1Å
1725	M	26.4	Very low	28.8	Very low	167.2 Å²	167.2	128.1 Å²	128.1	82%	0.824	73%	0.732	S	S	*	*			trans	-68	86.5	176.5	-77.3	-112.4	-71.7	0	0	109.5	L1723 G1727	L1723-M1725 HydrophobicContact CB-CG 4.34Å; L1723-M1725 PolarHBondContact O-N 3.12Å; M1725-G1727 VanDerWaalsContact C-N 3.35Å; M1725-G1727 PolarHBondContact O-N 3.02Å
1726	I	27.4	Very low	28	Very low	143 Å²	143	126.5 Å²	126.5	73%	0.733	74%	0.741	S	S	*	*			trans	-70.5	89.5	161.4	-60.3	175.9	0	0	0	106.3	N1724 T1728	N1724-I1726 VanDerWaalsContact C-N 3.34Å; N1724-I1726 PolarHBondContact O-N 3.15Å; N1724-I1726 VanDerWaalsContact O-N 3.1Å; I1726-T1728 PolarHBondContact O-N 3.07Å
1727	G	26	Very low	27.7	Very low	62.4 Å²	62.4	132.1 Å²	132.1	64%	0.643	76%	0.757	S	S	*	*			trans	-70.2	115.2	179.2	0	0	0	0	0	110.6	M1725 N1729	M1725-G1727 VanDerWaalsContact C-N 3.35Å; M1725-G1727 PolarHBondContact O-N 3.02Å; G1727-N1729 PolarHBondContact O-N 3.06Å
1728	T	28.4	Very low	27.4	Very low	127 Å²	127	131.8 Å²	131.8	78%	0.779	76%	0.761	S	S	*	*			trans	-89.8	93.4	172.7	49.4	0	0	0	0	110	I1726 T1730	I1726-T1728 PolarHBondContact O-N 3.07Å; T1728-T1730 PolarHBondContact O-N 2.96Å
1729	N	27.6	Very low	27.2	Very low	156.6 Å²	156.6	131.8 Å²	131.8	84%	0.837	77%	0.77	S	S	*	*			trans	-74.5	126.5	161.4	-73.5	-33.5	0	0	0	108.5	G1727 D1731	G1727-N1729 PolarHBondContact O-N 3.06Å; N1729-D1731 VanDerWaalsContact C-N 3.35Å; N1729-D1731 PolarHBondContact O-N 3.15Å
1730	T	29.7	Very low	27.2	Very low	129.2 Å²	129.2	133.3 Å²	133.3	79%	0.793	78%	0.782	S	S	*	*			trans	-111.7	131.1	166.2	35.2	0	0	0	0	110.8	T1728	T1728-T1730 PolarHBondContact O-N 2.96Å
1731	D	28.8	Very low	27.3	Very low	164 Å²	164	134.4 Å²	134.4	88%	0.877	79%	0.785	S	S	*	*			trans	-116.3	136.4	164.9	-64.6	-63.9	0	0	0	112.1	N1729	N1729-D1731 VanDerWaalsContact C-N 3.35Å; N1729-D1731 PolarHBondContact O-N 3.15Å
1732	G	29.1	Very low	27.3	Very low	76.8 Å²	76.8	133.6 Å²	133.6	79%	0.792	79%	0.792	S	S	*	*			trans	172.6	105.5	175.9	0	0	0	0	0	115
1733	E	29.3	Very low	27.4	Very low	190 Å²	190	131.8 Å²	131.8	89%	0.888	79%	0.787	S	S	*	*			trans	-30.2	145.3	167.6	-72.1	-173.1	107.6	0	0	118.2	V1735	E1733-V1735 PolarHBondContact O-N 2.9Å
1734	N	25.8	Very low	27.2	Very low	156.2 Å²	156.2	133.6 Å²	133.6	84%	0.835	79%	0.789	S	S	*	*			trans	-33.8	120.9	166.2	-67.6	-67.4	0	0	0	116.6
1735	V	29.3	Very low	27.4	Very low	139.4 Å²	139.4	132.9 Å²	132.9	85%	0.845	79%	0.785	S	S	*	*				-152.1	133.6	129.1	170.4	0	0	0	0	109.4	E1733 I1737	E1733-V1735 PolarHBondContact O-N 2.9Å; V1735-I1737 HydrophobicContact CG1-CG1 4.09Å; V1735-I1737 PolarHBondContact O-N 3.44Å
1736	A	25.6	Very low	27.4	Very low	92.6 Å²	92.6	130.5 Å²	130.5	77%	0.765	78%	0.775	S	S	*	*			trans	-112.8	141.2	-178.9	0	0	0	0	0	112.2
1737	I	28.5	Very low	27.4	Very low	168.2 Å²	168.2	130.5 Å²	130.5	86%	0.863	78%	0.777	S	S	*	*			trans	-168.3	129.6	163.2	-68.9	162.5	0	0	0	109	V1735	V1735-I1737 HydrophobicContact CG1-CG1 4.09Å; V1735-I1737 PolarHBondContact O-N 3.44Å
1738	G	27	Very low	27.4	Very low	56.2 Å²	56.2	135.5 Å²	135.5	58%	0.579	79%	0.788	S	S	*	*			trans	151.1	108.1	135.2	0	0	0	0	0	114.3	N1740	G1738-N1740 PolarHBondContact O-N 3.13Å; G1738-N1740 VanDerWaalsContact O-N 3.14Å
1739	P	26.8	Very low	27.3	Very low	128.8 Å²	128.8	132.7 Å²	132.7	84%	0.836	79%	0.785	S	S	*	*			trans	-80.3	115.6	177.7	32.9	-33.7	0	0	0	111.7
1740	N	28.8	Very low	27.4	Very low	157.8 Å²	157.8	131 Å²	131	84%	0.844	78%	0.782	S	S	*	*			trans	-124.2	120.2	173.5	-91.5	-27.5	0	0	0	112.3	G1738	G1738-N1740 PolarHBondContact O-N 3.13Å; G1738-N1740 VanDerWaalsContact O-N 3.14Å
1741	T	26.3	Very low	27.3	Very low	119.2 Å²	119.2	133.6 Å²	133.6	73%	0.731	79%	0.785	S	S	*	*			trans	-53	154.1	167.4	38.3	0	0	0	0	115.6
1742	L	26.2	Very low	27.1	Very low	157.6 Å²	157.6	130.6 Å²	130.6	83%	0.825	78%	0.777	S	S	*	*			trans	122.1	142.9	149.5	-67.3	169.4	0	0	0	113	P1837	L1742-P1837 HydrophobicContact CD2-CG 4.1Å
1743	A	26.9	Very low	27	Very low	82.8 Å²	82.8	134.9 Å²	134.9	68%	0.684	78%	0.781	S	S	*	*			cis	-145.6	152	14	0	0	0	0	0	111.4	P1837	A1743-P1837 HydrophobicContact CB-CG 4.33Å
1744	F	23.8	Very low	26.9	Very low	186.2 Å²	186.2	130.6 Å²	130.6	82%	0.817	77%	0.772	S	S	*	*			trans	-74.7	140.6	162.7	-74.3	-93.3	0	0	0	109.6	N1746	F1744-N1746 PolarHBondContact O-N 2.95Å
1745	D	27	Very low	27	Very low	130.4 Å²	130.4	133.8 Å²	133.8	70%	0.697	77%	0.772	S	S	*	*			trans	-131.5	144.5	134.7	-152.5	-25.5	0	0	0	110.7	N1747 F1835 L1836	D1745-N1747 PolarHBondContact O-N 3.34Å; D1745-N1747 PolarHBondContact OD1-ND2 2.91Å; D1745-F1835 HydrophobicContact CB-CD1 4.12Å; D1745-F1835 HydrophobicContact CB-CE1 4.02Å; D1745-F1835 WeakPolarHBondContact OD2-CA 3.19Å; D1745-F1835 WeakPolarHBondContact OD2-CD1 2.94Å; D1745-L1836 WeakPolarHBondContact OD2-CB 3.5Å; D1745-L1836 PolarHBondContact OD2-N 3.19Å
1746	N	26.4	Very low	26.9	Very low	115.4 Å²	115.4	137.3 Å²	137.3	62%	0.617	77%	0.77	S	S	*	*			trans	-103.8	130.7	-175.3	-74.4	-61.5	0	0	0	110.8	F1744 L1834	F1744-N1746 PolarHBondContact O-N 2.95Å; N1746-L1834 HydrophobicContact CB-CD1 4.12Å; N1746-L1834 HydrophobicContact CB-CD2 4.37Å; N1746-L1834 VanDerWaalsContact ND2-CD2 3.26Å; N1746-L1834 WeakPolarHBondContact ND2-CD2 3.09Å
1747	N	27.8	Very low	26.9	Very low	144.6 Å²	144.6	138.1 Å²	138.1	77%	0.773	77%	0.77	S	S	*	*			trans	-149.9	143.1	147.5	-103.3	-71.5	0	0	0	111	D1745 G1749 Q1833	D1745-N1747 PolarHBondContact O-N 3.34Å; D1745-N1747 PolarHBondContact OD1-ND2 2.91Å; N1747-G1749 PolarHBondContact O-N 2.92Å; N1747-G1749 VanDerWaalsContact O-N 3.12Å; N1747-Q1833 PolarHBondContact ND2-OE1 3.41Å; N1747-Q1833 VanDerWaalsContact ND2-OE1 3.11Å; N1747-Q1833 PolarHBondContact OD1-NE2 3.12Å; N1747-Q1833 PolarHBondContact OD1-OE1 3.25Å
1748	L	26.6	Very low	26.9	Very low	166.8 Å²	166.8	135.6 Å²	135.6	87%	0.873	77%	0.768	S	S	*	*			trans	-90	133.6	-170.9	-101	70.7	0	0	0	112.6	P1750	L1748-P1750 VanDerWaalsContact O-CD 3.23Å; L1748-P1750 WeakPolarHBondContact O-CD 3.24Å
1749	G	25.9	Very low	26.8	Very low	68.2 Å²	68.2	137.6 Å²	137.6	70%	0.703	78%	0.779	S	S	*	*			trans	-148.5	120.7	159.5	0	0	0	0	0	111.7	N1747 E1751	N1747-G1749 PolarHBondContact O-N 2.92Å; N1747-G1749 VanDerWaalsContact O-N 3.12Å; G1749-E1751 PolarHBondContact O-N 2.84Å
1750	P	29.1	Very low	26.7	Very low	121.2 Å²	121.2	135.2 Å²	135.2	79%	0.787	77%	0.77	S	S	*	*			trans	-93	158	176.9	33.9	-28.9	0	0	0	111.8	L1748	L1748-P1750 VanDerWaalsContact O-CD 3.23Å; L1748-P1750 WeakPolarHBondContact O-CD 3.24Å
1751	E	27.6	Very low	26.6	Very low	183.2 Å²	183.2	133.8 Å²	133.8	86%	0.856	77%	0.767	S	S	*	*			trans	111	125.1	170.4	-69.1	-165	157.7	0	0	116.7	G1749 Q1811	G1749-E1751 PolarHBondContact O-N 2.84Å; E1751-Q1811 PolarHBondContact OE1-NE2 2.91Å
1752	S	24.6	Very low	26.6	Very low	101.6 Å²	101.6	133.6 Å²	133.6	71%	0.71	77%	0.766	S	S	*	*			trans	90.7	111	140	-168.6	0	0	0	0	116.9	S1754	S1752-S1754 PolarHBondContact O-N 3.44Å; S1752-S1754 WeakPolarHBondContact OG-CB 3.08Å
1753	L	27.2	Very low	26.6	Very low	165.8 Å²	165.8	133 Å²	133	87%	0.868	76%	0.762	S	S	*	*			trans	-38.2	105.8	146	-67.8	172	0	0	0	113.9	R1755	L1753-R1755 PolarHBondContact O-N 2.85Å
1754	S	27.1	Very low	26.5	Very low	100.2 Å²	100.2	136.4 Å²	136.4	70%	0.701	77%	0.768	S	S	*	*			trans	178.1	104.8	142.1	-150.7	0	0	0	0	115.7	S1752 R1756	S1752-S1754 PolarHBondContact O-N 3.44Å; S1752-S1754 WeakPolarHBondContact OG-CB 3.08Å; S1754-R1756 PolarHBondContact O-N 3.42Å
1755	R	28.3	Very low	26.6	Very low	223 Å²	223	132.7 Å²	132.7	84%	0.842	76%	0.762	S	S	*	*			trans	32	117	142.9	-65.4	172.6	-179.3	-138.2	-1.4	114.1	L1753	L1753-R1755 PolarHBondContact O-N 2.85Å
1756	R	27.5	Very low	26.7	Very low	213.6 Å²	213.6	131 Å²	131	81%	0.806	77%	0.767	S	S	*	*				-163.5	134.6	95.7	-85.5	171	138	-146.9	-1.5	113.4	S1754 A1759	S1754-R1756 PolarHBondContact O-N 3.42Å; R1756-A1759 PolarHBondContact NH2-O 3.21Å
1757	S	26.6	Very low	26.6	Very low	109.6 Å²	109.6	130.6 Å²	130.6	77%	0.766	77%	0.773	S	S	*	*				-101.6	144.7	123.2	-39.8	0	0	0	0	111.1
1758	S	28	Very low	26.7	Very low	116 Å²	116	129 Å²	129	81%	0.811	77%	0.771	S	S	*	*			trans	-159.9	121.7	152.2	-71.2	0	0	0	0	110.6	A1760	S1758-A1760 PolarHBondContact O-N 3.38Å
1759	A	24.1	Very low	26.7	Very low	97.4 Å²	97.4	127.5 Å²	127.5	81%	0.805	76%	0.764	S	S	*	*				-53.7	116.8	60.5	0	0	0	0	0	111.7	R1756	R1756-A1759 PolarHBondContact NH2-O 3.21Å
1760	A	25.6	Very low	26.8	Very low	77.8 Å²	77.8	133.4 Å²	133.4	64%	0.643	77%	0.766	S	S	*	*			trans	169.4	131.4	133.1	0	0	0	0	0	113.3	S1758 T1762	S1758-A1760 PolarHBondContact O-N 3.38Å; A1760-T1762 PolarHBondContact O-N 3.09Å
1761	T	26.1	Very low	26.7	Very low	129.6 Å²	129.6	137.3 Å²	137.3	80%	0.795	77%	0.766	S	S	*	*				10.6	112.4	109.9	-43.6	0	0	0	0	114.8	I1763	T1761-I1763 HydrophobicContact CG2-CD1 4.5Å; T1761-I1763 HydrophobicContact CG2-CG1 4.13Å
1762	T	25.8	Very low	26.6	Very low	114.8 Å²	114.8	133.3 Å²	133.3	70%	0.704	76%	0.759	S	S	*	*				-145.4	120.2	129.6	-59.7	0	0	0	0	111.1	A1760 L1764	A1760-T1762 PolarHBondContact O-N 3.09Å; T1762-L1764 VanDerWaalsContact C-N 3.31Å; T1762-L1764 HydrophobicContact CG2-CG 4.19Å; T1762-L1764 PolarHBondContact O-N 2.75Å
1763	I	26.2	Very low	26.7	Very low	145.2 Å²	145.2	134 Å²	134	75%	0.745	76%	0.759	S	S	*	*			trans	-86	117.4	163.4	-63.1	173.1	0	0	0	110.4	T1761 P1765	T1761-I1763 HydrophobicContact CG2-CD1 4.5Å; T1761-I1763 HydrophobicContact CG2-CG1 4.13Å; I1763-P1765 WeakPolarHBondContact O-CD 3.43Å
1764	L	24.9	Very low	26.7	Very low	152.8 Å²	152.8	134.5 Å²	134.5	80%	0.8	76%	0.757	S	S	*	*			trans	-43.3	137.6	143.5	-88	149.9	0	0	0	111	T1762 A1766	T1762-L1764 VanDerWaalsContact C-N 3.31Å; T1762-L1764 HydrophobicContact CG2-CG 4.19Å; T1762-L1764 PolarHBondContact O-N 2.75Å; L1764-A1766 VanDerWaalsContact C-N 3.33Å; L1764-A1766 PolarHBondContact O-N 3.24Å
1765	P	27.1	Very low	26.8	Very low	109 Å²	109	135.2 Å²	135.2	71%	0.708	76%	0.756	S	S	*	*			trans	-112.7	155.6	170.9	36.9	-28.1	0	0	0	113	I1763 S1767	I1763-P1765 WeakPolarHBondContact O-CD 3.43Å; P1765-S1767 VanDerWaalsContact C-N 3.3Å; P1765-S1767 PolarHBondContact O-N 3.1Å
1766	A	27.2	Very low	26.7	Very low	95.2 Å²	95.2	132.1 Å²	132.1	79%	0.787	75%	0.752	S	S	*	*			trans	-34	112.2	158	0	0	0	0	0	114.3	L1764	L1764-A1766 VanDerWaalsContact C-N 3.33Å; L1764-A1766 PolarHBondContact O-N 3.24Å
1767	S	25.8	Very low	26.7	Very low	108 Å²	108	127.5 Å²	127.5	76%	0.755	75%	0.747	S	S	*	*			trans	-103.4	157.3	140.3	-57.6	0	0	0	0	111.2	P1765 N1769	P1765-S1767 VanDerWaalsContact C-N 3.3Å; P1765-S1767 PolarHBondContact O-N 3.1Å; S1767-N1769 VanDerWaalsContact C-N 3.26Å; S1767-N1769 PolarHBondContact O-N 3.09Å
1768	P	30.2	Very low	26.8	Very low	111 Å²	111	128.3 Å²	128.3	72%	0.721	75%	0.747	S	S	*	*			trans	-106.1	160.2	161.6	31.3	-23.3	0	0	0	113.5	Y1770	P1768-Y1770 PolarHBondContact O-N 2.91Å; P1768-Y1770 VanDerWaalsContact O-N 3.13Å
1769	N	26.4	Very low	26.9	Very low	134.8 Å²	134.8	128.1 Å²	128.1	72%	0.721	74%	0.743	S	S	*	*			trans	63.4	126.1	158	-71.6	-20.2	0	0	0	116.5	S1767	S1767-N1769 VanDerWaalsContact C-N 3.26Å; S1767-N1769 PolarHBondContact O-N 3.09Å
1770	Y	27.1	Very low	27.2	Very low	192.2 Å²	192.2	128.3 Å²	128.3	75%	0.754	74%	0.739	S	S	*	*				150.3	142.5	120.8	-93.7	-79.8	0	0	0	116.7	P1768	P1768-Y1770 PolarHBondContact O-N 2.91Å; P1768-Y1770 VanDerWaalsContact O-N 3.13Å
1771	Y	26.6	Very low	27.4	Very low	202.6 Å²	202.6	130.1 Å²	130.1	80%	0.795	75%	0.746	S	S	*	*			trans	50	115.2	155	-75.8	-86.9	0	0	0	120.9
1772	S	25.6	Very low	27.6	Very low	100 Å²	100	127.1 Å²	127.1	70%	0.699	74%	0.742	S	S	*	*				157.2	151.3	102.7	-169.1	0	0	0	0	115.3
1773	T	27	Very low	27.8	Very low	116.2 Å²	116.2	130.4 Å²	130.4	71%	0.713	75%	0.752	S	S	*	*			trans	154.4	143.2	160	34.3	0	0	0	0	115.1
1774	Q	27.7	Very low	28	Very low	175 Å²	175	130.4 Å²	130.4	82%	0.818	75%	0.753	S	S	*	*			trans	163.2	138	154.5	-83.3	-179.7	10.4	0	0	111.7
1775	V	28.4	Very low	28.5	Very low	115.2 Å²	115.2	127.9 Å²	127.9	70%	0.698	75%	0.746	S	S	*	*				111.8	125.8	104	177.2	0	0	0	0	115.3	S1781	V1775-S1781 VanDerWaalsContact CG1-OG 3.3Å; V1775-S1781 WeakPolarHBondContact CG1-OG 3.44Å
1776	Q	26.8	Very low	28.7	Very low	158.8 Å²	158.8	129.5 Å²	129.5	74%	0.742	75%	0.748	S	S	*	*			trans	-133.4	140.4	152.8	-158.5	107.8	19.5	0	0	112.7	G1782 M1783	Q1776-G1782 CarbonylContact O-C 3.28Å; Q1776-G1782 VanDerWaalsContact O-C 3.28Å; Q1776-M1783 PolarHBondContact O-N 3.13Å
1777	T	27.9	Very low	28.9	Very low	116.6 Å²	116.6	133.3 Å²	133.3	72%	0.715	75%	0.75	S	S	*	*			trans	-129.5	138.9	155.7	39.9	0	0	0	0	112	S1781 G1782 M1783	T1777-S1781 VanDerWaalsContact CG2-O 3.22Å; T1777-S1781 WeakPolarHBondContact CG2-O 3.39Å; T1777-G1782 WeakPolarHBondContact OG1-CA 3.22Å; T1777-M1783 PolarHBondContact OG1-N 2.85Å
1778	V	28.2	Very low	29.2	Very low	125.6 Å²	125.6	133.4 Å²	133.4	76%	0.761	75%	0.748	S	S	*	*			trans	-137	135.7	157.9	-174.3	0	0	0	0	108.6
1779	P	30.3	Very low	29.2	Very low	112.2 Å²	112.2	133 Å²	133	73%	0.729	75%	0.748	S	S	*	*			trans	-117.5	142	154.5	35.7	-25	0	0	0	113.2
1780	S	29.5	Very low	29.4	Very low	101.8 Å²	101.8	133.8 Å²	133.8	71%	0.712	75%	0.751	S	S	*	*			trans	117.1	130.6	137.1	-7.6	0	0	0	0	117.4
1781	S	30.2	Very low	29.5	Very low	115.2 Å²	115.2	131.2 Å²	131.2	81%	0.806	75%	0.75	S	S	*	*			trans	87.2	153.7	136.8	23.1	0	0	0	0	116.9	V1775 T1777	V1775-S1781 VanDerWaalsContact CG1-OG 3.3Å; V1775-S1781 WeakPolarHBondContact CG1-OG 3.44Å; T1777-S1781 VanDerWaalsContact CG2-O 3.22Å; T1777-S1781 WeakPolarHBondContact CG2-O 3.39Å
1782	G	29.7	Very low	29.7	Very low	67.8 Å²	67.8	127 Å²	127	70%	0.699	75%	0.745	S	S	*	*			trans	-169.3	154.9	166.4	0	0	0	0	0	116.4	Q1776 T1777	Q1776-G1782 CarbonylContact O-C 3.28Å; Q1776-G1782 VanDerWaalsContact O-C 3.28Å; T1777-G1782 WeakPolarHBondContact OG1-CA 3.22Å
1783	M	30.8	Very low	29.9	Very low	184.2 Å²	184.2	127.1 Å²	127.1	91%	0.907	74%	0.742	S	S	*	*			trans	158.3	144.7	148.3	-72.1	-175.5	159.2	0	0	115.2	Q1776 T1777	Q1776-M1783 PolarHBondContact O-N 3.13Å; T1777-M1783 PolarHBondContact OG1-N 2.85Å
1784	N	31.6	Very low	29.9	Very low	144.4 Å²	144.4	127.9 Å²	127.9	77%	0.772	74%	0.742	S	S	*	*			trans	-6.2	159.1	155	-144.3	15.7	0	0	0	113.7	N1786	N1784-N1786 PolarHBondContact OD1-N 3.09Å; N1784-N1786 VanDerWaalsContact OD1-N 3.13Å
1785	P	34.1	Very low	30	Very low	99.4 Å²	99.4	126.4 Å²	126.4	65%	0.645	74%	0.735	S	S	*	*			cis	-123.7	156.8	17.6	36.5	-23.9	0	0	0	116.3
1786	N	32.6	Very low	30.1	Very low	143.6 Å²	143.6	127.5 Å²	127.5	77%	0.768	73%	0.733	S	S	*	*			trans	151.2	128.7	135.5	-83.4	-22	0	0	0	116.3	N1784	N1784-N1786 PolarHBondContact OD1-N 3.09Å; N1784-N1786 VanDerWaalsContact OD1-N 3.13Å
1787	Q	30.1	Very low	30.2	Very low	174.6 Å²	174.6	127.3 Å²	127.3	82%	0.816	73%	0.732	S	S	*	*			trans	7.4	157.8	141.4	-88.4	-171.7	-17.8	0	0	114.9
1788	P	32.4	Very low	30.2	Very low	109.6 Å²	109.6	126.9 Å²	126.9	71%	0.712	73%	0.729	S	S	*	*				-125.1	161.7	51.8	32.4	-18	0	0	0	116.3
1789	S	30	Very low	30.3	Very low	104.2 Å²	104.2	128.6 Å²	128.6	73%	0.729	73%	0.728	S	S	*	*				83.7	138.1	128.5	-67.8	0	0	0	0	118.5
1790	L	30.6	Very low	30.2	Very low	151.2 Å²	151.2	128 Å²	128	79%	0.792	73%	0.727	S	S	*	*				-174.1	147	89.9	-84.3	153.3	0	0	0	113.5
1791	N	29.8	Very low	30.1	Very low	136.4 Å²	136.4	127.8 Å²	127.8	73%	0.729	73%	0.726	S	S	*	*				102.9	149.7	125.7	-102	-3.6	0	0	0	117.8
1792	V	29.8	Very low	29.9	Very low	114.2 Å²	114.2	129 Å²	129	69%	0.692	72%	0.722	S	S	*	*				99.7	122.2	113.1	167.7	0	0	0	0	114.3
1793	T	29.6	Very low	29.8	Very low	103.4 Å²	103.4	132.9 Å²	132.9	63%	0.634	72%	0.722	S	S	*	*				64.3	130.5	82.5	-6.3	0	0	0	0	117.7
1794	N	28.1	Very low	29.6	Very low	132.6 Å²	132.6	128.4 Å²	128.4	71%	0.709	71%	0.709	S	S	*	*				123.5	130.4	127.9	-87.2	-15.7	0	0	0	119
1795	Q	29.8	Very low	29.4	Very low	144 Å²	144	129.7 Å²	129.7	67%	0.673	71%	0.711	S	S	*	*				76.5	136.8	120.1	-63.8	-133.9	104.8	0	0	118.5
1796	Q	30.5	Very low	29	Very low	137 Å²	137	130.9 Å²	130.9	64%	0.64	71%	0.71	S	S	*	*			cis	159	157.4	43.2	-140.4	160.3	-6	0	0	115.1
1797	Q	28.6	Very low	28.7	Very low	155 Å²	155	130.6 Å²	130.6	72%	0.724	71%	0.709	S	S	*	*			trans	43.1	141.1	154.6	-82.3	173.1	-93.3	0	0	119.2
1798	V	28.2	Very low	28.6	Very low	108.2 Å²	108.2	128.6 Å²	128.6	66%	0.656	71%	0.708	S	S	*	*			cis	169.8	156.7	32.1	125.7	0	0	0	0	110.8
1799	Q	30	Very low	28.2	Very low	160.6 Å²	160.6	127.7 Å²	127.7	75%	0.75	71%	0.71	S	S	*	*			trans	67.9	118.2	155	-78.6	160.1	-21.3	0	0	117.5
1800	S	27.2	Very low	28.1	Very low	101.6 Å²	101.6	127.8 Å²	127.8	71%	0.71	71%	0.711	S	S	*	*				69.7	147.2	82	-15.9	0	0	0	0	115
1801	S	27.6	Very low	28	Very low	97 Å²	97	128.5 Å²	128.5	68%	0.678	71%	0.71	S	S	*	*				133.4	134.3	82.2	42.1	0	0	0	0	115.4
1802	L	27	Very low	27.7	Very low	140.25 Å²	140.25	130.6 Å²	130.6	73%	0.734	71%	0.713	S	S	*	*				67.4	125	121.3	-64.9	165.5	0	0	0	118.3
1803	Q	27.4	Very low	27.6	Very low	148.75 Å²	148.75	130.5 Å²	130.5	70%	0.695	72%	0.715	S	S	*	*				132.8	156.9	114.3	-97	164	18	0	0	116.6	I1818	Q1803-I1818 HydrophobicContact CG-CB 4.36Å; Q1803-I1818 HydrophobicContact CG-CG1 3.96Å; Q1803-I1818 VanDerWaalsContact OE1-CG2 3.31Å
1804	S	27.2	Very low	27.4	Very low	91 Å²	91	132.3 Å²	132.3	64%	0.636	72%	0.719	S	S	*	*			trans	61.6	123.4	156.2	53.8	0	0	0	0	120.5	S1817	S1804-S1817 PolarHBondContact N-OG 3.41Å
1805	E	26.2	Very low	27.4	Very low	170.5 Å²	170.5	131.7 Å²	131.7	80%	0.797	72%	0.723	S	S	*	*				138.9	143	91	-95.4	178.3	105.6	0	0	117.4
1806	I	26.9	Very low	27.2	Very low	125.25 Å²	125.25	130.2 Å²	130.2	64%	0.642	72%	0.723	S	S	*	*				62.2	117.3	115.6	-63.1	165.5	0	0	0	116.8
1807	N	26.6	Very low	27	Very low	138 Å²	138	128 Å²	128	74%	0.738	72%	0.723	S	S	*	*			trans	122.5	150.8	135.1	-88.3	-25.9	0	0	0	114.7
1808	T	26.8	Very low	26.9	Very low	131.25 Å²	131.25	127.9 Å²	127.9	81%	0.805	73%	0.726	S	S	*	*				-117.9	157.2	82.8	41.7	0	0	0	0	113.4
1809	A	25.4	Very low	26.9	Very low	90.25 Å²	90.25	125.7 Å²	125.7	75%	0.746	73%	0.725	S	S	*	*			trans	-114.5	144	-179.9	0	0	0	0	0	114.6
1810	S	26.1	Very low	26.8	Very low	106.5 Å²	106.5	126.3 Å²	126.3	75%	0.745	73%	0.727	S	S	*	*			trans	139.9	135.7	155.6	-50.3	0	0	0	0	113.7
1811	Q	28.7	Very low	26.8	Very low	165.75 Å²	165.75	128.8 Å²	128.8	78%	0.775	73%	0.728	S	S	*	*				137.1	144.2	57.4	-100.3	177	16.2	0	0	114.5	E1751	E1751-Q1811 PolarHBondContact OE1-NE2 2.91Å
1812	F	23.6	Very low	26.7	Very low	180.75 Å²	180.75	128.5 Å²	128.5	79%	0.793	73%	0.726	S	S	*	*			trans	-59.1	168.4	152.2	-78.4	-95.2	0	0	0	113.7	I1814	F1812-I1814 HydrophobicContact CB-CG1 4.2Å; F1812-I1814 HydrophobicContact CD1-CD1 4.46Å; F1812-I1814 HydrophobicContact CD1-CG1 3.85Å; F1812-I1814 HydrophobicContact CG-CG1 4.23Å
1813	P	27.4	Very low	26.6	Very low	112.75 Å²	112.75	126.8 Å²	126.8	73%	0.732	72%	0.721	S	S	*	*				-126.8	165.5	109.7	37.5	-27.9	0	0	0	115.3
1814	I	26.9	Very low	26.6	Very low	142 Å²	142	125.1 Å²	125.1	73%	0.728	72%	0.717	S	S	*	*			trans	-112.4	147.5	164.2	-58.4	169.1	0	0	0	110.5	F1812 V1816	F1812-I1814 HydrophobicContact CB-CG1 4.2Å; F1812-I1814 HydrophobicContact CD1-CD1 4.46Å; F1812-I1814 HydrophobicContact CD1-CG1 3.85Å; F1812-I1814 HydrophobicContact CG-CG1 4.23Å; I1814-V1816 HydrophobicContact CB-CG2 4.21Å; I1814-V1816 HydrophobicContact CG2-CG2 4.2Å; I1814-V1816 WeakPolarHBondContact O-CG2 3.31Å
1815	P	27.8	Very low	26.6	Very low	119.25 Å²	119.25	127.7 Å²	127.7	77%	0.774	72%	0.719	S	S	*	*			trans	-118.1	140.2	158.8	36.2	-24.7	0	0	0	111.9
1816	V	25.3	Very low	26.5	Very low	112.25 Å²	112.25	126.3 Å²	126.3	68%	0.68	72%	0.716	S	S	*	*			trans	36	123.3	151	-160.8	0	0	0	0	113.9	I1814	I1814-V1816 HydrophobicContact CB-CG2 4.21Å; I1814-V1816 HydrophobicContact CG2-CG2 4.2Å; I1814-V1816 WeakPolarHBondContact O-CG2 3.31Å
1817	S	26.4	Very low	26.5	Very low	91 Å²	91	124.6 Å²	124.6	64%	0.636	72%	0.721	S	S	*	*				119.7	136.1	119.2	-86	0	0	0	0	115.1	S1804	S1804-S1817 PolarHBondContact N-OG 3.41Å
1818	I	26.2	Very low	26.6	Very low	153 Å²	153	121.2 Å²	121.2	79%	0.785	72%	0.719	S	S	*	*			trans	69.4	113.9	147.6	-52.9	168	0	0	0	114.9	Q1803	Q1803-I1818 HydrophobicContact CG-CB 4.36Å; Q1803-I1818 HydrophobicContact CG-CG1 3.96Å; Q1803-I1818 VanDerWaalsContact OE1-CG2 3.31Å
1819	G	27.4	Very low	26.6	Very low	61.5 Å²	61.5	121.1 Å²	121.1	63%	0.634	72%	0.718	S	S	*	*			trans	168.6	111	133	0	0	0	0	0	117.3
1820	Q	28.6	Very low	26.6	Very low	173 Å²	173	122.2 Å²	122.2	81%	0.808	72%	0.715	S	S	*	*			trans	35.1	127.8	144.6	-68	178.9	-1.3	0	0	117
1821	Q	27.3	Very low	26.6	Very low	155.5 Å²	155.5	123.6 Å²	123.6	73%	0.727	71%	0.714	S	S	*	*				87.3	129.8	90.6	-86.2	-177	-62.3	0	0	115.6
1822	S	25.4	Very low	26.5	Very low	90 Å²	90	120.2 Å²	120.2	63%	0.629	71%	0.709	S	S	*	*				61.5	138.2	124.5	74.8	0	0	0	0	119.6
1823	T	25.6	Very low	26.5	Very low	103.5 Å²	103.5	118.2 Å²	118.2	64%	0.635	70%	0.702	S	S	*	*				87	135.2	120.7	33	0	0	0	0	118.4	F1835	T1823-F1835 HydrophobicContact CG2-CE1 3.75Å; T1823-F1835 HydrophobicContact CG2-CZ 3.95Å
1824	N	26.2	Very low	26.3	Very low	114.5 Å²	114.5	118.7 Å²	118.7	61%	0.612	70%	0.698	S	S	*	*			trans	74.1	127.8	135.6	-67.6	-17.9	0	0	0	119.5	Q1833 L1834 F1835	N1824-Q1833 VanDerWaalsContact CA-NE2 3.34Å; N1824-Q1833 VanDerWaalsContact CG-NE2 3.31Å; N1824-Q1833 PolarHBondContact OD1-NE2 2.84Å; N1824-L1834 PolarHBondContact N-O 3.05Å; N1824-F1835 WeakPolarHBondContact OD1-CD2 3.45Å; N1824-F1835 WeakPolarHBondContact OD1-CE2 3.39Å; N1824-F1835 VanDerWaalsContact OD1-CZ 3.32Å; N1824-F1835 WeakPolarHBondContact OD1-CZ 3.41Å
1825	Q	27	Very low	26.3	Very low	144.75 Å²	144.75	119.5 Å²	119.5	68%	0.676	70%	0.697	S	S	*	*				90	140	103.8	-79	-174.9	85.7	0	0	115.8	Q1833	Q1825-Q1833 VanDerWaalsContact NE2-CD 3.29Å; Q1825-Q1833 VanDerWaalsContact OE1-CG 3.28Å
1826	L	25.4	Very low	26.3	Very low	140.5 Å²	140.5	120.4 Å²	120.4	74%	0.736	69%	0.694	S	S	*	*				89.9	146.4	95.9	-136.2	78.8	0	0	0	114.1	S1832	L1826-S1832 VanDerWaalsContact CA-OG 3.27Å; L1826-S1832 WeakPolarHBondContact CA-OG 3.3Å; L1826-S1832 WeakPolarHBondContact CB-OG 3.31Å; L1826-S1832 WeakPolarHBondContact CG-OG 3.33Å
1827	A	26.1	Very low	26.6	Very low	90.75 Å²	90.75	119.7 Å²	119.7	75%	0.75	69%	0.692	S	S	*	*				133.5	157.7	101.5	0	0	0	0	0	114.3
1828	G	29	Very low	26.7	Very low	66.75 Å²	66.75	121.9 Å²	121.9	69%	0.688	70%	0.697	S	S	*	*			trans	145	40.6	178.8	0	0	0	0	0	114.5
1829	T	25.9	Very low	26.8	Very low	129.75 Å²	129.75	121.2 Å²	121.2	80%	0.796	69%	0.69	S	S	*	*				29.4	128.8	99.9	-27.4	0	0	0	0	112.5
1830	V	26.8	Very low	26.9	Very low	113 Å²	113	124.7 Å²	124.7	69%	0.685	69%	0.693	S	S	*	*				-170.8	138.2	93.5	-84.2	0	0	0	0	114.4
1831	N	26.2	Very low	26.9	Very low	134.5 Å²	134.5	123.4 Å²	123.4	72%	0.719	69%	0.687	S	S	*	*			trans	59	105.4	140.4	-53	-8.3	0	0	0	119.8
1832	S	25.6	Very low	26.9	Very low	96 Å²	96	121 Å²	121	67%	0.671	69%	0.687	S	S	*	*				124.7	124.5	95	-61.1	0	0	0	0	114.6	L1826	L1826-S1832 VanDerWaalsContact CA-OG 3.27Å; L1826-S1832 WeakPolarHBondContact CA-OG 3.3Å; L1826-S1832 WeakPolarHBondContact CB-OG 3.31Å; L1826-S1832 WeakPolarHBondContact CG-OG 3.33Å
1833	Q	24.1	Very low	26.9	Very low	137 Å²	137	123.9 Å²	123.9	64%	0.64	70%	0.695	S	S	*	*				147	135	114.9	-76.9	-139.9	-30.9	0	0	112	N1747 N1824 Q1825	N1747-Q1833 PolarHBondContact ND2-OE1 3.41Å; N1747-Q1833 VanDerWaalsContact ND2-OE1 3.11Å; N1747-Q1833 PolarHBondContact OD1-NE2 3.12Å; N1747-Q1833 PolarHBondContact OD1-OE1 3.25Å; N1824-Q1833 VanDerWaalsContact CA-NE2 3.34Å; N1824-Q1833 VanDerWaalsContact CG-NE2 3.31Å; N1824-Q1833 PolarHBondContact OD1-NE2 2.84Å; Q1825-Q1833 VanDerWaalsContact NE2-CD 3.29Å; Q1825-Q1833 VanDerWaalsContact OE1-CG 3.28Å
1834	L	23.6	Very low	27	Very low	123.25 Å²	123.25	125.5 Å²	125.5	65%	0.645	70%	0.698	S	S	*	*				-86.1	142.5	115.1	-100.1	88.1	0	0	0	111.5	N1746 N1824 L1836	N1746-L1834 HydrophobicContact CB-CD1 4.12Å; N1746-L1834 HydrophobicContact CB-CD2 4.37Å; N1746-L1834 VanDerWaalsContact ND2-CD2 3.26Å; N1746-L1834 WeakPolarHBondContact ND2-CD2 3.09Å; N1824-L1834 PolarHBondContact N-O 3.05Å; L1834-L1836 HydrophobicContact CD2-CD1 4.22Å
1835	F	25.6	Very low	27	Very low	160 Å²	160	127.8 Å²	127.8	70%	0.702	71%	0.705	S	S	*	*				-170	138	126.7	-97.3	-78.9	0	0	0	114	D1745 T1823 N1824	D1745-F1835 HydrophobicContact CB-CD1 4.12Å; D1745-F1835 HydrophobicContact CB-CE1 4.02Å; D1745-F1835 WeakPolarHBondContact OD2-CA 3.19Å; D1745-F1835 WeakPolarHBondContact OD2-CD1 2.94Å; T1823-F1835 HydrophobicContact CG2-CE1 3.75Å; T1823-F1835 HydrophobicContact CG2-CZ 3.95Å; N1824-F1835 WeakPolarHBondContact OD1-CD2 3.45Å; N1824-F1835 WeakPolarHBondContact OD1-CE2 3.39Å; N1824-F1835 VanDerWaalsContact OD1-CZ 3.32Å; N1824-F1835 WeakPolarHBondContact OD1-CZ 3.41Å
1836	L	28	Very low	26.9	Very low	137 Å²	137	126.1 Å²	126.1	72%	0.717	71%	0.709	S	S	*	*			trans	-96.4	175.2	165.1	-94.1	72.6	0	0	0	113.1	D1745 L1834	D1745-L1836 WeakPolarHBondContact OD2-CB 3.5Å; D1745-L1836 PolarHBondContact OD2-N 3.19Å; L1834-L1836 HydrophobicContact CD2-CD1 4.22Å
1837	P	32.1	Very low	26.9	Very low	98.25 Å²	98.25	125.5 Å²	125.5	64%	0.638	71%	0.711	S	S	*	*				-111.7	171.9	-122.2	35.4	-24.7	0	0	0	113.5	L1742 A1743	L1742-P1837 HydrophobicContact CD2-CG 4.1Å; A1743-P1837 HydrophobicContact CB-CG 4.33Å
1838	D	28.9	Very low	26.9	Very low	137.5 Å²	137.5	128.3 Å²	128.3	74%	0.735	71%	0.713	S	S	*	*			trans	177.8	149.6	135.5	-104.2	-25.7	0	0	0	112.4
1839	Q	28.1	Very low	26.8	Very low	138.75 Å²	138.75	133 Å²	133	65%	0.648	72%	0.717	S	S	*	*			cis	-174.8	168	1.1	-155.2	-165.9	118.2	0	0	109.9
1840	I	28.8	Very low	26.9	Very low	134.25 Å²	134.25	131.7 Å²	131.7	69%	0.688	71%	0.711	S	S	*	*			trans	95.3	127.6	160.1	-61.9	171.8	0	0	0	116.2
1841	Q	28.9	Very low	26.9	Very low	145.75 Å²	145.75	135.5 Å²	135.5	68%	0.681	72%	0.719	S	S	*	*			trans	26.2	128.9	156.2	-109	71.9	23.7	0	0	116.4
1842	S	27.3	Very low	26.7	Very low	105 Å²	105	134.3 Å²	134.3	73%	0.734	72%	0.721	S	S	*	*				23.7	143.4	128.8	67.8	0	0	0	0	117
1843	L	26.2	Very low	26.8	Very low	150.5 Å²	150.5	136.8 Å²	136.8	79%	0.788	73%	0.726	S	S	*	*				-156	143.8	121.1	-161.8	62.3	0	0	0	110.4
1844	I	27	Very low	26.8	Very low	137.75 Å²	137.75	138.4 Å²	138.4	71%	0.706	73%	0.734	S	S	*	*			trans	82.1	126.4	153.2	-76.1	160.9	0	0	0	115.2
1845	Q	26.4	Very low	26.8	Very low	163.75 Å²	163.75	137.1 Å²	137.1	77%	0.765	74%	0.735	S	S	*	*			trans	71.9	122.8	141.6	-97.9	158	24.9	0	0	117
1846	S	25.4	Very low	26.8	Very low	108.5 Å²	108.5	138.5 Å²	138.5	76%	0.759	74%	0.741	S	S	*	*			trans	85.6	135.3	134.3	-61.8	0	0	0	0	117.6
1847	V	25.7	Very low	26.9	Very low	127.5 Å²	127.5	136.9 Å²	136.9	77%	0.773	74%	0.739	S	S	*	*				95	106.2	126.9	-176.4	0	0	0	0	114.6
1848	N	25.5	Very low	26.5	Very low	148.5 Å²	148.5	142.6 Å²	142.6	79%	0.794	75%	0.749	S	S	*	*			trans	-15.2	137.1	140.5	-67.5	-47.3	0	0	0	117.9
1849	Q	26.8	Very low	26.3	Very low	166 Å²	166	141 Å²	141	78%	0.776	75%	0.749	S	S	*	*			trans	175.9	158.2	133.5	-91.6	-156.8	28.3	0	0	113.9	F1851	Q1849-F1851 HydrophobicContact CB-CD2 4.5Å; Q1849-F1851 HydrophobicContact CB-CE2 4.38Å
1850	P	28.1	Very low	26.2	Very low	103.25 Å²	103.25	138.6 Å²	138.6	67%	0.67	75%	0.753	S	S	*	*			trans	-107.4	149.2	-169	35	-25	0	0	0	113.1
1851	F	26.1	Very low	26.2	Very low	191.75 Å²	191.75	138 Å²	138	84%	0.841	76%	0.755	S	S	*	*			trans	-130.8	131.7	160.3	-83.7	-75.6	0	0	0	114.4	Q1849	Q1849-F1851 HydrophobicContact CB-CD2 4.5Å; Q1849-F1851 HydrophobicContact CB-CE2 4.38Å
1852	S	23.1	Very low	26.1	Very low	110.25 Å²	110.25	140.1 Å²	140.1	77%	0.771	76%	0.762	S	S	*	*			trans	-121.5	122.4	166	-63.9	0	0	0	0	113.3
1853	L	26.5	Very low	26.3	Very low	148.75 Å²	148.75	140.2 Å²	140.2	78%	0.779	76%	0.763	S	S	*	*			trans	-149.2	112.6	164.4	-70.8	173.3	0	0	0	109.1
1854	Q	25.2	Very low	26.5	Very low	170.25 Å²	170.25	136 Å²	136	80%	0.796	76%	0.756	S	S	*	*				71.2	117.4	65.7	-115.1	-175.2	8.7	0	0	115
1855	S	23.7	Very low	26.6	Very low	95.5 Å²	95.5	135.8 Å²	135.8	67%	0.668	76%	0.761	S	S	*	*			trans	89.4	132.8	163.3	56	0	0	0	0	116.4	P1857	S1855-P1857 WeakPolarHBondContact O-CD 3.47Å
1856	F	25.3	Very low	26.6	Very low	189.75 Å²	189.75	132.2 Å²	132.2	83%	0.832	75%	0.754	S	S	*	*			trans	132.1	140.5	146.6	-76.6	-57.4	0	0	0	114.3	Y1858	F1856-Y1858 HydrophobicContact CB-CD2 4.27Å; F1856-Y1858 AromaticContact CD1-CD2 3.87Å; F1856-Y1858 HydrophobicContact CD1-CD2 3.87Å; F1856-Y1858 AromaticContact CD1-CE2 3.63Å; F1856-Y1858 HydrophobicContact CD1-CE2 3.63Å; F1856-Y1858 HydrophobicContact CE1-CE2 4.11Å; F1856-Y1858 HydrophobicContact CG-CD2 4.39Å
1857	P	28.8	Very low	26.7	Very low	103.25 Å²	103.25	136.7 Å²	136.7	67%	0.67	76%	0.756	S	S	*	*			trans	-95.1	154	148.1	36.1	-27.7	0	0	0	112.6	S1855	S1855-P1857 WeakPolarHBondContact O-CD 3.47Å
1858	Y	25.1	Very low	26.8	Very low	217.75 Å²	217.75	136.9 Å²	136.9	85%	0.854	75%	0.751	S	S	*	*			trans	136.1	127.3	148.6	-94.4	-87.9	0	0	0	116	F1856	F1856-Y1858 HydrophobicContact CB-CD2 4.27Å; F1856-Y1858 AromaticContact CD1-CD2 3.87Å; F1856-Y1858 HydrophobicContact CD1-CD2 3.87Å; F1856-Y1858 AromaticContact CD1-CE2 3.63Å; F1856-Y1858 HydrophobicContact CD1-CE2 3.63Å; F1856-Y1858 HydrophobicContact CE1-CE2 4.11Å; F1856-Y1858 HydrophobicContact CG-CD2 4.39Å
1859	S	25.3	Very low	26.8	Very low	104.25 Å²	104.25	135.8 Å²	135.8	73%	0.729	75%	0.745	S	S	*	*			trans	154.1	148.6	132.8	-146.7	0	0	0	0	113.3
1860	A	26	Very low	26.8	Very low	88.75 Å²	88.75	135.6 Å²	135.6	73%	0.733	74%	0.744	S	S	*	*			trans	-176.1	143.6	-168	0	0	0	0	0	112.9
1861	V	27	Very low	26.7	Very low	121.5 Å²	121.5	135.6 Å²	135.6	74%	0.736	75%	0.746	S	S	*	*				169	143	-123.6	-178.2	0	0	0	0	109.9
1862	K	27.9	Very low	26.6	Very low	189 Å²	189	133.2 Å²	133.2	82%	0.822	74%	0.742	S	S	*	*				169.7	147.8	89	-93.7	157.5	-174.6	175.4	0	110.6
1863	S	30.2	Very low	26.7	Very low	108.5 Å²	108.5	135.9 Å²	135.9	76%	0.759	75%	0.745	S	S	*	*			cis	170.4	139.4	5.3	-99.7	0	0	0	0	111.3
1864	G	30.6	Very low	26.6	Very low	62.25 Å²	62.25	133.1 Å²	133.1	64%	0.642	74%	0.738	S	S	*	*			trans	97.7	146.3	150	0	0	0	0	0	114.5
1865	T	29	Very low	26.7	Very low	133.25 Å²	133.25	130.2 Å²	130.2	82%	0.817	73%	0.732	S	S	*	*			cis	127.5	137.3	11.7	41.6	0	0	0	0	111.6
1866	S	27.2	Very low	26.8	Very low	87 Å²	87	131.6 Å²	131.6	61%	0.608	73%	0.732	S	S	*	*				135.9	162.1	68.1	-62.6	0	0	0	0	112.2
1867	Y	28.6	Very low	26.9	Very low	204.5 Å²	204.5	128.5 Å²	128.5	80%	0.802	72%	0.724	S	S	*	*			cis	-157.5	148.7	19.1	-89.3	-83.3	0	0	0	108.9
1868	I	26.4	Very low	26.8	Very low	131.75 Å²	131.75	128.6 Å²	128.6	68%	0.676	72%	0.723	S	S	*	*				62.6	114.8	113.4	-62.7	171.2	0	0	0	116.2
1869	N	26.5	Very low	26.9	Very low	125.25 Å²	125.25	126.1 Å²	126.1	67%	0.67	72%	0.719	S	S	*	*				130.5	142.5	113.6	-93.3	-25.3	0	0	0	117
1870	Q	25.2	Very low	26.8	Very low	162 Å²	162	126.1 Å²	126.1	76%	0.757	72%	0.719	S	S	*	*			trans	75.5	140.7	131.2	-78.8	178.3	58.9	0	0	117
1871	S	26.1	Very low	26.9	Very low	102 Å²	102	127.6 Å²	127.6	71%	0.713	72%	0.719	S	S	*	*				125.9	152.7	82.5	62.4	0	0	0	0	113.3
1872	N	24.2	Very low	26.8	Very low	141.5 Å²	141.5	130.2 Å²	130.2	76%	0.757	72%	0.723	S	S	*	*			cis	169.9	149.7	1.6	-119.5	5.5	0	0	0	112.1
1873	M	25.7	Very low	26.6	Very low	167.25 Å²	167.25	126.2 Å²	126.2	82%	0.824	72%	0.719	S	S	*	*			trans	75.4	149.2	158.8	-48	-81.5	-86.6	0	0	116.6
1874	S	25.2	Very low	26.3	Very low	90 Å²	90	128.1 Å²	128.1	63%	0.629	72%	0.719	S	S	*	*			cis	-167.3	149.9	11.8	-152.4	0	0	0	0	113.8
1875	T	26.4	Very low	26.1	Very low	109.75 Å²	109.75	131.2 Å²	131.2	67%	0.673	73%	0.725	S	S	*	*			trans	18.2	150.8	133.7	32	0	0	0	0	117.4
1876	D	26.5	Very low	26	Very low	125.25 Å²	125.25	128.8 Å²	128.8	67%	0.67	72%	0.719	S	S	*	*			cis	-174.1	159.4	39.3	-112.7	-28.3	0	0	0	114.6
1877	N	26.4	Very low	26	Very low	123.5 Å²	123.5	132.3 Å²	132.3	66%	0.66	73%	0.725	S	S	*	*				65	146.2	118.5	-84.3	-39.8	0	0	0	118
1878	T	27.6	Very low	25.9	Very low	105.75 Å²	105.75	128.5 Å²	128.5	65%	0.649	72%	0.719	S	S	*	*			cis	-147.9	156.5	24.9	35.3	0	0	0	0	114.3
1879	Q	26	Very low	25.9	Very low	165 Å²	165	129.7 Å²	129.7	77%	0.771	72%	0.722	S	S	*	*			trans	78.7	111.2	133.4	-90	172.4	-25	0	0	116.2
1880	S	24.5	Very low	25.8	Very low	104.5 Å²	104.5	131.1 Å²	131.1	73%	0.731	73%	0.728	S	S	*	*				83.1	151.8	114.5	74.3	0	0	0	0	114.2
1881	V	27.4	Very low	25.8	Very low	120.75 Å²	120.75	127.6 Å²	127.6	73%	0.732	72%	0.722	S	S	*	*				-166.8	141.9	73	171.1	0	0	0	0	114.4
1882	Q	25.5	Very low	25.9	Very low	175.5 Å²	175.5	129.8 Å²	129.8	82%	0.82	73%	0.725	S	S	*	*			trans	-12.5	136.4	159.6	-56.1	158.9	5.9	0	0	118
1883	S	23.1	Very low	26.1	Very low	105.25 Å²	105.25	128.8 Å²	128.8	74%	0.736	73%	0.726	S	S	*	*				116.5	160	113.1	-142.9	0	0	0	0	117.7
1884	I	25.2	Very low	26.1	Very low	148.75 Å²	148.75	127.3 Å²	127.3	76%	0.763	72%	0.721	S	S	*	*			trans	71.4	110.3	161.9	-53	174.8	0	0	0	115.2
1885	V	25	Very low	26.1	Very low	126.75 Å²	126.75	132.4 Å²	132.4	77%	0.768	73%	0.731	S	S	*	*			cis	81.9	137.1	48.9	174	0	0	0	0	113.1	Q1887	V1885-Q1887 HydrophobicContact CG1-CG 4.36Å
1886	A	26.8	Very low	26.1	Very low	82.25 Å²	82.25	133.3 Å²	133.3	68%	0.68	73%	0.732	S	S	*	*			trans	141	134.5	143.2	0	0	0	0	0	113.2
1887	Q	26.9	Very low	26.2	Very low	161.25 Å²	161.25	134.3 Å²	134.3	75%	0.754	74%	0.735	S	S	*	*				79.2	139.6	66.1	-81.4	-176.4	7.4	0	0	116.5	V1885	V1885-Q1887 HydrophobicContact CG1-CG 4.36Å
1888	N	27.3	Very low	26.2	Very low	124.25 Å²	124.25	136.9 Å²	136.9	66%	0.664	74%	0.74	S	S	*	*			trans	93.4	125.2	143.3	-65.9	-34.8	0	0	0	116.7
1889	Q	26.1	Very low	26.2	Very low	157.5 Å²	157.5	135.8 Å²	135.8	74%	0.736	74%	0.737	S	S	*	*				84.1	138.3	50.8	-73.8	-144.9	90.2	0	0	114.9
1890	L	25.7	Very low	26.3	Very low	154.25 Å²	154.25	135.2 Å²	135.2	81%	0.808	74%	0.735	S	S	*	*			trans	148.7	128.2	143.4	-91.7	81	0	0	0	114.2
1891	S	24.2	Very low	26.4	Very low	89.5 Å²	89.5	137.3 Å²	137.3	63%	0.626	73%	0.733	S	S	*	*			cis	87	113.9	46.7	-62.9	0	0	0	0	115.2
1892	L	28.1	Very low	26.4	Very low	146.25 Å²	146.25	139.5 Å²	139.5	77%	0.766	74%	0.735	S	S	*	*				62.6	151.9	123.7	-69.6	167.2	0	0	0	115.8	L1894	L1892-L1894 HydrophobicContact CD2-CD1 4.3Å; L1892-L1894 HydrophobicContact CD2-CG 4.13Å
1893	P	28.3	Very low	26.4	Very low	120.5 Å²	120.5	135.6 Å²	135.6	78%	0.782	73%	0.727	S	S	*	*			cis	-133.4	165.9	39	31.1	-13.4	0	0	0	115.1	K1895	P1893-K1895 PolarHBondContact O-N 3.4Å
1894	L	25.6	Very low	26.6	Very low	137.5 Å²	137.5	139.5 Å²	139.5	72%	0.72	73%	0.731	S	S	*	*			trans	-98.3	152.9	177.8	-73	120.8	0	0	0	112.3	L1892	L1892-L1894 HydrophobicContact CD2-CD1 4.3Å; L1892-L1894 HydrophobicContact CD2-CG 4.13Å
1895	K	26.6	Very low	26.8	Very low	195.75 Å²	195.75	138.1 Å²	138.1	85%	0.851	73%	0.731	S	S	*	*			trans	164.5	136.5	141.1	-87.9	156.4	-176.8	178	0	111.1	P1893	P1893-K1895 PolarHBondContact O-N 3.4Å
1896	N	25.1	Very low	27	Very low	128.75 Å²	128.75	138.7 Å²	138.7	69%	0.689	73%	0.729	S	S	*	*			cis	128	118.9	8.7	-122.6	6.6	0	0	0	112.1
1897	M	28.7	Very low	27.1	Very low	147.25 Å²	147.25	144.1 Å²	144.1	73%	0.725	74%	0.737	S	S	*	*			trans	134.3	119.9	141.3	-63.1	-65.6	-77.3	0	0	113.6
1898	F	27.3	Very low	27.1	Very low	176.75 Å²	176.75	142.9 Å²	142.9	78%	0.775	74%	0.735	S	S	*	*				85.4	119.3	57.5	-109.1	-102.1	0	0	0	114.1
1899	S	26.1	Very low	27.2	Very low	83.75 Å²	83.75	144.1 Å²	144.1	59%	0.586	74%	0.741	S	S	*	*				133.1	142.3	112	-79.3	0	0	0	0	115.7
1900	Q	28.1	Very low	27.3	Very low	152.75 Å²	152.75	143.6 Å²	143.6	71%	0.714	74%	0.739	S	S	*	*			trans	92.1	144.8	139.9	-84.1	-176.3	95.1	0	0	117.1
1901	Q	26.9	Very low	27.4	Very low	148.75 Å²	148.75	141.7 Å²	141.7	70%	0.695	73%	0.729	S	S	*	*				76.1	123.6	103.3	-81.2	-176.3	7.3	0	0	116.9
1902	Q	28.2	Very low	27.5	Very low	167.25 Å²	167.25	144.5 Å²	144.5	78%	0.782	73%	0.732	S	S	*	*			trans	93.8	137.9	141.7	-72.4	171	30.5	0	0	118.2
1903	S	25.9	Very low	27.5	Very low	92 Å²	92	144.2 Å²	144.2	64%	0.643	73%	0.73	S	S	*	*			trans	65.2	118.5	146.2	36.7	0	0	0	0	117.2
1904	F	26.4	Very low	27.4	Very low	187.5 Å²	187.5	145.2 Å²	145.2	82%	0.822	73%	0.728	S	S	*	*			trans	50.8	153.9	133.5	-66.2	-69.2	0	0	0	119.9	I1906	F1904-I1906 HydrophobicContact CB-CB 3.85Å; F1904-I1906 HydrophobicContact CB-CD1 3.93Å; F1904-I1906 HydrophobicContact CB-CG1 3.77Å; F1904-I1906 VanDerWaalsContact CB-N 3.29Å; F1904-I1906 HydrophobicContact CD1-CB 4.46Å; F1904-I1906 HydrophobicContact CD1-CD1 4.45Å; F1904-I1906 HydrophobicContact CD1-CG1 3.84Å; F1904-I1906 HydrophobicContact CD2-CD1 3.22Å; F1904-I1906 HydrophobicContact CD2-CG1 3.55Å; F1904-I1906 HydrophobicContact CE1-CG1 4.31Å; F1904-I1906 HydrophobicContact CE2-CD1 3.78Å; F1904-I1906 HydrophobicContact CE2-CG1 4.06Å; F1904-I1906 HydrophobicContact CG-CB 4.07Å; F1904-I1906 HydrophobicContact CG-CD1 3.63Å; F1904-I1906 HydrophobicContact CG-CG1 3.44Å; F1904-I1906 VanDerWaalsContact CG-CG1 3.44Å; F1904-I1906 HydrophobicContact CZ-CG1 4.42Å
1905	P	30.4	Very low	27.5	Very low	118.75 Å²	118.75	144.2 Å²	144.2	77%	0.771	73%	0.728	S	S	*	*				-121.1	147.4	56.1	34.5	-22.9	0	0	0	115.9
1906	I	28.9	Very low	27.6	Very low	140.5 Å²	140.5	140.9 Å²	140.9	72%	0.721	72%	0.719	S	S	*	*			trans	-100.3	131.6	146.6	-70.1	174	0	0	0	111.2	F1904 L1908	F1904-I1906 HydrophobicContact CB-CB 3.85Å; F1904-I1906 HydrophobicContact CB-CD1 3.93Å; F1904-I1906 HydrophobicContact CB-CG1 3.77Å; F1904-I1906 VanDerWaalsContact CB-N 3.29Å; F1904-I1906 HydrophobicContact CD1-CB 4.46Å; F1904-I1906 HydrophobicContact CD1-CD1 4.45Å; F1904-I1906 HydrophobicContact CD1-CG1 3.84Å; F1904-I1906 HydrophobicContact CD2-CD1 3.22Å; F1904-I1906 HydrophobicContact CD2-CG1 3.55Å; F1904-I1906 HydrophobicContact CE1-CG1 4.31Å; F1904-I1906 HydrophobicContact CE2-CD1 3.78Å; F1904-I1906 HydrophobicContact CE2-CG1 4.06Å; F1904-I1906 HydrophobicContact CG-CB 4.07Å; F1904-I1906 HydrophobicContact CG-CD1 3.63Å; F1904-I1906 HydrophobicContact CG-CG1 3.44Å; F1904-I1906 VanDerWaalsContact CG-CG1 3.44Å; F1904-I1906 HydrophobicContact CZ-CG1 4.42Å; I1906-L1908 HydrophobicContact CB-CG 4.39Å; I1906-L1908 HydrophobicContact CD1-CD1 3.99Å; I1906-L1908 HydrophobicContact CD1-CG 3.88Å; I1906-L1908 HydrophobicContact CG1-CD1 4.47Å; I1906-L1908 HydrophobicContact CG1-CG 3.91Å; I1906-L1908 HydrophobicContact CG2-CB 3.67Å; I1906-L1908 HydrophobicContact CG2-CD1 3.78Å; I1906-L1908 HydrophobicContact CG2-CG 3.59Å
1907	K	28.1	Very low	27.7	Very low	194.75 Å²	194.75	140.5 Å²	140.5	85%	0.847	72%	0.717	S	S	*	*			trans	-94	120.3	151.5	-124.3	-177.9	178.5	-178	0	110.1
1908	L	27.5	Very low	27.6	Very low	136.25 Å²	136.25	141.3 Å²	141.3	71%	0.713	72%	0.719	S	S	*	*				89.7	120	105.6	-88.3	168.6	0	0	0	112.8	I1906	I1906-L1908 HydrophobicContact CB-CG 4.39Å; I1906-L1908 HydrophobicContact CD1-CD1 3.99Å; I1906-L1908 HydrophobicContact CD1-CG 3.88Å; I1906-L1908 HydrophobicContact CG1-CD1 4.47Å; I1906-L1908 HydrophobicContact CG1-CG 3.91Å; I1906-L1908 HydrophobicContact CG2-CB 3.67Å; I1906-L1908 HydrophobicContact CG2-CD1 3.78Å; I1906-L1908 HydrophobicContact CG2-CG 3.59Å
1909	L	29.1	Very low	27.6	Very low	150.25 Å²	150.25	137.7 Å²	137.7	79%	0.787	72%	0.716	S	S	*	*			trans	-125	140	132.9	-129.5	68	0	0	0	111.6
1910	Q	27.4	Very low	27.7	Very low	147 Å²	147	142.8 Å²	142.8	69%	0.687	73%	0.73	S	S	*	*				173.2	142.5	66.6	-150.6	139.3	17.9	0	0	111.6
1911	D	28.9	Very low	27.7	Very low	113 Å²	113	139.2 Å²	139.2	60%	0.604	73%	0.734	S	S	*	*				-83.6	147.7	94.5	-84.3	-57.4	0	0	0	115.9
1912	Q	26.8	Very low	27.7	Very low	149.75 Å²	149.75	139.7 Å²	139.7	70%	0.7	74%	0.741	S	S	*	*				59.8	155.9	80	-76	-174.6	95.9	0	0	115.2
1913	I	27.7	Very low	27.9	Very low	139.5 Å²	139.5	136.3 Å²	136.3	72%	0.715	73%	0.734	S	S	*	*			trans	102.2	117.1	139.3	-79.5	156.8	0	0	0	115.5
1914	L	25.6	Very low	27.9	Very low	142 Å²	142	136.6 Å²	136.6	74%	0.743	74%	0.736	S	S	*	*				72.6	127.3	121.9	-116.3	67.4	0	0	0	119.7
1915	V	28.8	Very low	27.9	Very low	116.75 Å²	116.75	133.5 Å²	133.5	71%	0.708	74%	0.736	S	S	*	*				77.3	113.4	128.1	176.6	0	0	0	0	116
1916	N	27.1	Very low	27.8	Very low	125.25 Å²	125.25	135.4 Å²	135.4	67%	0.67	74%	0.739	S	S	*	*				134	144.4	89	-121.4	-8	0	0	0	114.8
1917	N	27.1	Very low	27.9	Very low	121 Å²	121	134.2 Å²	134.2	65%	0.647	74%	0.74	S	S	*	*				71	108.7	116.6	-68.3	-53.3	0	0	0	118.7
1918	Q	27.5	Very low	27.7	Very low	163.75 Å²	163.75	131.3 Å²	131.3	77%	0.765	73%	0.734	S	S	*	*				126	129.7	100.7	-88.5	175	72.3	0	0	116.7
1919	S	27.8	Very low	27.8	Very low	101.25 Å²	101.25	131.9 Å²	131.9	71%	0.708	74%	0.737	S	S	*	*				85.5	139.4	122.5	75.2	0	0	0	0	117.6
1920	Q	28.5	Very low	27.7	Very low	191.25 Å²	191.25	132.4 Å²	132.4	89%	0.894	74%	0.736	S	S	*	*			cis	129.3	139.7	45.2	-89.8	178.6	3.2	0	0	113.6
1921	G	28	Very low	27.7	Very low	76 Å²	76	129.9 Å²	129.9	78%	0.784	73%	0.734	S	S	*	*			trans	137.4	107.4	162.6	0	0	0	0	0	114.6
1922	N	26.3	Very low	27.6	Very low	160 Å²	160	132.1 Å²	132.1	86%	0.856	74%	0.741	S	S	*	*			trans	150.7	162.4	156.5	-129.9	10.8	0	0	0	110.9
1923	P	31.8	Very low	27.7	Very low	95.5 Å²	95.5	130.8 Å²	130.8	62%	0.62	74%	0.738	S	S	*	*			cis	-139	-168.1	-21.5	40.6	-22.1	0	0	0	114.6
1924	S	27.3	Very low	27.8	Very low	99.25 Å²	99.25	130.7 Å²	130.7	69%	0.694	74%	0.735	S	S	*	*			trans	71.6	133.5	153.2	71	0	0	0	0	120.2
1925	C	24.9	Very low	28	Very low	122.5 Å²	122.5	130.5 Å²	130.5	83%	0.828	73%	0.73	S	S	*	*				144.5	131.4	65.4	-94.3	0	0	0	0	117.1
1926	L	29.2	Very low	28.1	Very low	157.5 Å²	157.5	132.4 Å²	132.4	83%	0.825	73%	0.732	S	S	*	*			trans	-91.7	154.9	158.9	-77.2	167.7	0	0	0	110.1	N1928	L1926-N1928 HydrophobicContact CB-CB 4.34Å; L1926-N1928 HydrophobicContact CD1-CB 4.49Å; L1926-N1928 HydrophobicContact CD2-CB 4.37Å
1927	P	30.3	Very low	28.1	Very low	115.75 Å²	115.75	135.1 Å²	135.1	75%	0.752	74%	0.74	S	S	*	*				-125.2	175.8	74.5	36.7	-23.5	0	0	0	114.2
1928	N	24.7	Very low	28.4	Very low	133 Å²	133	134.1 Å²	134.1	71%	0.711	74%	0.74	S	S	*	*				84.4	136.5	88	-141.9	4.4	0	0	0	115.5	L1926	L1926-N1928 HydrophobicContact CB-CB 4.34Å; L1926-N1928 HydrophobicContact CD1-CB 4.49Å; L1926-N1928 HydrophobicContact CD2-CB 4.37Å
1929	L	29.7	Very low	28.4	Very low	149.25 Å²	149.25	133.8 Å²	133.8	78%	0.781	74%	0.739	S	S	*	*			trans	-151.1	124.2	157.7	-84.9	168.6	0	0	0	111	S1931	L1929-S1931 PolarHBondContact O-N 3.16Å
1930	Q	26.5	Very low	28.5	Very low	161.5 Å²	161.5	136.7 Å²	136.7	76%	0.755	74%	0.741	S	S	*	*				68.9	109.7	113.9	-136.4	-178.6	-4.1	0	0	111.3
1931	S	26.9	Very low	28.4	Very low	94.5 Å²	94.5	132.3 Å²	132.3	66%	0.661	73%	0.732	S	S	*	*			trans	138.2	125.8	137.5	-71.2	0	0	0	0	111.6	L1929	L1929-S1931 PolarHBondContact O-N 3.16Å
1932	Q	27.8	Very low	28.4	Very low	159.75 Å²	159.75	136.5 Å²	136.5	75%	0.746	73%	0.731	S	S	*	*				67.7	111.5	51.3	-132.1	-174.2	-1.9	0	0	113.6
1933	N	27.2	Very low	28.6	Very low	120.75 Å²	120.75	135.4 Å²	135.4	65%	0.646	72%	0.72	S	S	*	*			trans	66.8	123.5	146.6	-70.1	-68.5	0	0	0	115.6
1934	Q	29.8	Very low	28.5	Very low	138.25 Å²	138.25	137.7 Å²	137.7	65%	0.646	72%	0.723	S	S	*	*				99.7	143.3	84.1	-83.5	-174.4	105.7	0	0	115.4
1935	Q	31	Very low	28.5	Very low	137.5 Å²	137.5	140.7 Å²	140.7	64%	0.643	73%	0.726	S	S	*	*			trans	86.6	129.1	136.3	-84.3	164.5	17.1	0	0	116.3
1936	Q	30.5	Very low	28.6	Very low	157.25 Å²	157.25	139.5 Å²	139.5	74%	0.735	72%	0.719	S	S	*	*				57.9	107.7	114.8	-64.1	176	33	0	0	117
1937	Q	27.9	Very low	28.5	Very low	182.25 Å²	182.25	137.9 Å²	137.9	85%	0.852	72%	0.716	S	S	*	*				66.7	161.4	120.1	-80.3	-171.3	-2.1	0	0	117
1938	P	31.9	Very low	28.5	Very low	99.25 Å²	99.25	138.4 Å²	138.4	64%	0.644	72%	0.716	S	S	*	*				-126.2	-176.4	-90.4	38.6	-23.1	0	0	0	114.1
1939	Q	28.2	Very low	28.6	Very low	157.5 Å²	157.5	141.2 Å²	141.2	74%	0.736	72%	0.722	S	S	*	*			trans	112.1	125.8	151	-83.9	164.6	47.8	0	0	117.6
1940	Q	29.1	Very low	28.8	Very low	163 Å²	163	138.8 Å²	138.8	76%	0.762	72%	0.716	S	S	*	*				62.6	125.6	124.2	-68.3	177.6	24.1	0	0	119.2
1941	S	27.1	Very low	28.9	Very low	99 Å²	99	139.5 Å²	139.5	69%	0.692	72%	0.719	S	S	*	*			trans	48	123.8	149	50	0	0	0	0	118	Q1943	S1941-Q1943 PolarHBondContact O-N 2.97Å
1942	Q	29.4	Very low	28.9	Very low	163.75 Å²	163.75	138.8 Å²	138.8	77%	0.765	71%	0.714	S	S	*	*				52.7	113.6	123.3	-83.4	-169.2	80.4	0	0	115.2
1943	Q	29.5	Very low	29.2	Very low	135.75 Å²	135.75	139.6 Å²	139.6	63%	0.634	72%	0.717	S	S	*	*			trans	86.6	134.9	139.8	-76.5	-169.7	29.3	0	0	117.8	S1941	S1941-Q1943 PolarHBondContact O-N 2.97Å
1944	Q	29.6	Very low	29.1	Very low	143.5 Å²	143.5	138.2 Å²	138.2	67%	0.671	72%	0.722	S	S	*	*			trans	88.1	121.8	131.1	-76.8	179.6	62.7	0	0	117.6
1945	Q	27.2	Very low	29.3	Very low	164 Å²	164	137.5 Å²	137.5	77%	0.766	73%	0.73	S	S	*	*				60.7	140.7	118.3	-81	180	36.7	0	0	118.5
1946	S	26.7	Very low	29.2	Very low	97.5 Å²	97.5	135.2 Å²	135.2	68%	0.682	74%	0.735	S	S	*	*				136.6	142	97.6	-95.5	0	0	0	0	116.4
1947	V	28	Very low	29.1	Very low	123.75 Å²	123.75	136.5 Å²	136.5	75%	0.75	74%	0.741	S	S	*	*				58.3	148.9	101.7	163.6	0	0	0	0	114.7
1948	V	29.9	Very low	29.1	Very low	125.25 Å²	125.25	132.8 Å²	132.8	76%	0.759	74%	0.735	S	S	*	*			trans	139.9	121.3	139.3	160.8	0	0	0	0	114.7
1949	F	26.4	Very low	28.9	Very low	191.25 Å²	191.25	134.1 Å²	134.1	84%	0.839	74%	0.741	S	S	*	*			trans	-6.7	174.5	134.4	-87.6	-89.7	0	0	0	114.7
1950	P	34.7	Very low	28.8	Very low	100 Å²	100	131.7 Å²	131.7	65%	0.649	74%	0.742	S	S	*	*				-131.2	176.8	-124.2	32	-14.1	0	0	0	114.1
1951	Q	28	Very low	28.8	Very low	175.25 Å²	175.25	128.9 Å²	128.9	82%	0.819	74%	0.74	S	S	*	*				127.2	138.2	127.4	-108	168.3	29.1	0	0	111.8
1952	S	27.9	Very low	28.9	Very low	79.5 Å²	79.5	132.9 Å²	132.9	56%	0.556	75%	0.748	S	S	*	*				94.5	136.4	75.4	67.4	0	0	0	0	114.7
1953	H	32.6	Very low	28.8	Very low	176.5 Å²	176.5	130.2 Å²	130.2	82%	0.817	75%	0.747	S	S	*	*				129.1	139.6	124.9	-59	-64.6	0	0	0	114.2
1954	A	26.3	Very low	28.7	Very low	91.25 Å²	91.25	132.5 Å²	132.5	75%	0.754	76%	0.755	S	S	*	*				96.3	161.3	73	0	0	0	0	0	112.7
1955	P	32.9	Very low	28.5	Very low	125 Å²	125	133.9 Å²	133.9	81%	0.812	76%	0.762	S	S	*	*			cis	-133.4	-170.9	-18.7	42.7	-26.2	0	0	0	115.3
1956	A	28.9	Very low	28.5	Very low	89 Å²	89	130.9 Å²	130.9	74%	0.736	76%	0.759	S	S	*	*			trans	134.5	138	159	0	0	0	0	0	115.5
1957	Q	28.6	Very low	28.5	Very low	185 Å²	185	134.8 Å²	134.8	86%	0.864	77%	0.766	S	S	*	*				56.3	133.7	124.1	-66.9	171	-9.4	0	0	114.4
1958	S	28.8	Very low	28.6	Very low	104.75 Å²	104.75	136.9 Å²	136.9	73%	0.733	77%	0.768	S	S	*	*				172.4	152	56.1	32.5	0	0	0	0	112.3
1959	T	27.3	Very low	28.5	Very low	126.25 Å²	126.25	138.8 Å²	138.8	78%	0.775	77%	0.768	S	S	*	*				-151.5	156.2	102.5	46.3	0	0	0	0	115.2
1960	S	26.9	Very low	28.6	Very low	105.75 Å²	105.75	135 Å²	135	74%	0.74	76%	0.761	S	S	*	*				145.4	141.2	119.7	60.4	0	0	0	0	116.6
1961	S	28.5	Very low	28.1	Very low	104.25 Å²	104.25	137.2 Å²	137.2	73%	0.729	77%	0.766	S	S	*	*			trans	126.6	118.5	141.7	56.7	0	0	0	0	118.1
1962	Q	27.9	Very low	28.2	Very low	184.5 Å²	184.5	132.5 Å²	132.5	86%	0.862	75%	0.75	S	S	*	*				83.9	130	122.9	-76.5	-176.5	-2	0	0	116.3
1963	S	27.4	Very low	28.3	Very low	107 Å²	107	133.7 Å²	133.7	75%	0.748	75%	0.746	S	S	*	*				137.6	138.9	78.2	68.4	0	0	0	0	113.5
1964	K	27.3	Very low	28.3	Very low	183 Å²	183	129.4 Å²	129.4	80%	0.796	73%	0.734	S	S	*	*				126.7	125.5	85.4	-107.9	178.7	175.4	-159.2	0	114.4
1965	E	26.6	Very low	28.7	Very low	172.75 Å²	172.75	127.5 Å²	127.5	81%	0.807	71%	0.711	S	S	*	*			trans	139.4	125.2	147.1	-144.4	165.2	165.8	0	0	115.5
1966	S	26.4	Very low	28.9	Very low	100.5 Å²	100.5	125 Å²	125	70%	0.703	69%	0.694	S	S	*	*			trans	168.9	100.9	-178.3	61.3	0	0	0	0	113.2
1967	Q	27.8	Very low	29.5	Very low	179.5 Å²	179.5	127.2 Å²	127.2	84%	0.839	69%	0.689	S	S	*	*			trans	132.3	108.3	150.8	-88.6	174.6	67.6	0	0	114.9
1968	Q	28.5	Very low	30.1	Very low	168 Å²	168	123.4 Å²	123.4	79%	0.785	67%	0.671	S	S	*	*			trans	-137.7	125.3	138	-114.5	-178.7	44.9	0	0	109.4
1969	Q	28.1	Very low	30.7	Very low	165.75 Å²	165.75	121.5 Å²	121.5	78%	0.775	65%	0.653	S	S	*	*			trans	-112.4	136.9	-174.9	-126.7	169.3	13.1	0	0	109.1	L1971	Q1969-L1971 PolarHBondContact O-N 2.97Å
1970	T	28.3	Very low	31.5	Very low	111.75 Å²	111.75	120.6 Å²	120.6	69%	0.686	64%	0.643	S	S	*	*			trans	3.5	112.4	171.3	-38.9	0	0	0	0	113.1	V1972	T1970-V1972 HydrophobicContact CG2-CG2 3.96Å; T1970-V1972 PolarHBondContact O-N 3.05Å
1971	L	25.8	Very low	32.5	Very low	145 Å²	145	122.3 Å²	122.3	76%	0.759	64%	0.639	S	S	*	*			trans	-92.9	95.3	152.3	-161.2	63.5	0	0	0	111	Q1969 Q1973	Q1969-L1971 PolarHBondContact O-N 2.97Å; L1971-Q1973 PolarHBondContact O-N 2.95Å
1972	V	29.2	Very low	33.3	Very low	77.5 Å²	77.5	118.4 Å²	118.4	47%	0.47	61%	0.61	S	S	.	*			trans	-57.7	121.2	149.7	176	0	0	0	0	110	T1970 T1976 Q1977	T1970-V1972 HydrophobicContact CG2-CG2 3.96Å; T1970-V1972 PolarHBondContact O-N 3.05Å; V1972-T1976 HydrophobicContact CG1-CG2 4.37Å; V1972-Q1977 HydrophobicContact CB-CG 4.46Å; V1972-Q1977 HydrophobicContact CG1-CG 4.27Å
1973	Q	30.7	Very low	34.2	Very low	103.75 Å²	103.75	113.4 Å²	113.4	49%	0.485	59%	0.589	S	S	.	*			trans	-78.3	133.7	162.9	-81.7	-164.9	5.7	0	0	110.5	L1971 N1975 T1976 Q1977 N2082	L1971-Q1973 PolarHBondContact O-N 2.95Å; Q1973-N1975 VanDerWaalsContact C-N 3.28Å; Q1973-N1975 HydrophobicContact CB-CB 4.14Å; Q1973-N1975 HydrophobicContact CG-CB 4.36Å; Q1973-N1975 PolarHBondContact O-N 3.05Å; Q1973-N1975 VanDerWaalsContact OE1-CB 3.27Å; Q1973-N1975 PolarHBondContact OE1-ND2 3.27Å; Q1973-T1976 WeakPolarHBondContact O-CB 3.23Å; Q1973-T1976 PolarHBondContact O-N 2.84Å; Q1973-T1976 PolarHBondContact O-OG1 3.15Å; Q1973-Q1977 PolarHBondContact O-N 3.01Å; Q1973-N2082 VanDerWaalsContact NE2-CG 3.3Å; Q1973-N2082 PolarHBondContact NE2-OD1 2.9Å; Q1973-N2082 PolarHBondContact OE1-OD1 2.73Å
1974	P	32.1	Very low	35.1	Very low	87.25 Å²	87.25	111.2 Å²	111.2	57%	0.567	57%	0.573	S	S	*	*	H	α-helix	trans	-64	-13.2	174.2	27	-34.5	0	0	0	111.2	T1976 Q1977 Q1978	P1974-T1976 VanDerWaalsContact C-N 3.3Å; P1974-T1976 PolarHBondContact O-N 3.16Å; P1974-Q1977 PolarHBondContact O-N 3.13Å; P1974-Q1978 WeakPolarHBondContact O-CB 3.4Å; P1974-Q1978 WeakPolarHBondContact O-CG 3.26Å; P1974-Q1978 PolarHBondContact O-N 3.34Å
1975	N	34.1	Very low	35.9	Very low	50.25 Å²	50.25	104 Å²	104	27%	0.269	55%	0.548	S	S	.	.	H	α-helix	trans	-73.6	-26	-178.7	-101.1	11.3	0	0	0	113.8	Q1973 Q1978 L1979 V2081 N2082 S2083 L2084	Q1973-N1975 VanDerWaalsContact C-N 3.28Å; Q1973-N1975 HydrophobicContact CB-CB 4.14Å; Q1973-N1975 HydrophobicContact CG-CB 4.36Å; Q1973-N1975 PolarHBondContact O-N 3.05Å; Q1973-N1975 VanDerWaalsContact OE1-CB 3.27Å; Q1973-N1975 PolarHBondContact OE1-ND2 3.27Å; N1975-Q1978 PolarHBondContact O-N 2.89Å; N1975-L1979 VanDerWaalsContact O-CB 3.27Å; N1975-L1979 WeakPolarHBondContact O-CB 3.33Å; N1975-L1979 PolarHBondContact O-N 3.34Å; N1975-V2081 PolarHBondContact ND2-O 2.95Å; N1975-N2082 VanDerWaalsContact CG-O 3.27Å; N1975-N2082 PolarHBondContact ND2-O 2.94Å; N1975-N2082 PolarHBondContact OD1-O 2.88Å; N1975-S2083 PolarHBondContact ND2-N 3.49Å; N1975-S2083 VanDerWaalsContact ND2-N 3.1Å; N1975-S2083 VanDerWaalsContact OD1-CA 3.24Å; N1975-S2083 WeakPolarHBondContact OD1-CA 3.47Å; N1975-S2083 PolarHBondContact OD1-N 3.24Å; N1975-L2084 PolarHBondContact OD1-N 2.61Å
1976	T	38.5	Very low	36.8	Very low	74 Å²	74	98.8 Å²	98.8	45%	0.454	53%	0.525	S	S	.	.	H	α-helix	trans	-82	-42.7	177.4	-6.1	0	0	0	0	111.8	V1972 Q1973 P1974 L1979 L1980	V1972-T1976 HydrophobicContact CG1-CG2 4.37Å; Q1973-T1976 WeakPolarHBondContact O-CB 3.23Å; Q1973-T1976 PolarHBondContact O-N 2.84Å; Q1973-T1976 PolarHBondContact O-OG1 3.15Å; P1974-T1976 VanDerWaalsContact C-N 3.3Å; P1974-T1976 PolarHBondContact O-N 3.16Å; T1976-L1979 CarbonylContact O-C 3.4Å; T1976-L1979 WeakPolarHBondContact O-CB 3.38Å; T1976-L1979 PolarHBondContact O-N 2.93Å; T1976-L1980 HydrophobicContact CG2-CD1 4.25Å; T1976-L1980 VanDerWaalsContact O-CD1 3.27Å; T1976-L1980 WeakPolarHBondContact O-CD1 3.38Å; T1976-L1980 PolarHBondContact O-N 2.93Å
1977	Q	40.5	Very low	37.7	Very low	133.75 Å²	133.75	100.8 Å²	100.8	63%	0.625	53%	0.528	S	S	*	.	H	α-helix	trans	-67.2	-41.6	174.4	-75.6	-164.4	-8.4	0	0	112	V1972 Q1973 P1974 L1979 L1980 Q1981	V1972-Q1977 HydrophobicContact CB-CG 4.46Å; V1972-Q1977 HydrophobicContact CG1-CG 4.27Å; Q1973-Q1977 PolarHBondContact O-N 3.01Å; P1974-Q1977 PolarHBondContact O-N 3.13Å; Q1977-L1979 VanDerWaalsContact C-N 3.32Å; Q1977-L1979 PolarHBondContact O-N 3.15Å; Q1977-L1980 PolarHBondContact O-N 2.96Å; Q1977-Q1981 VanDerWaalsContact O-CB 3.26Å; Q1977-Q1981 WeakPolarHBondContact O-CB 3.33Å; Q1977-Q1981 PolarHBondContact O-N 3.19Å
1978	Q	40.6	Very low	38.7	Very low	106 Å²	106	97 Å²	97	50%	0.495	52%	0.517	S	S	.	.	H	α-helix	trans	-63	-36.1	173.5	-73	-178.3	-5.5	0	0	112.2	P1974 N1975 Q1981 L1982 L2084	P1974-Q1978 WeakPolarHBondContact O-CB 3.4Å; P1974-Q1978 WeakPolarHBondContact O-CG 3.26Å; P1974-Q1978 PolarHBondContact O-N 3.34Å; N1975-Q1978 PolarHBondContact O-N 2.89Å; Q1978-Q1981 WeakPolarHBondContact O-CB 3.5Å; Q1978-Q1981 PolarHBondContact O-N 2.98Å; Q1978-L1982 VanDerWaalsContact O-CB 3.26Å; Q1978-L1982 WeakPolarHBondContact O-CB 3.44Å; Q1978-L1982 PolarHBondContact O-N 2.87Å; Q1978-L2084 HydrophobicContact CB-CD1 3.93Å; Q1978-L2084 HydrophobicContact CB-CD2 3.97Å; Q1978-L2084 HydrophobicContact CB-CG 4.35Å
1979	L	41.4	Very low	39.3	Very low	66 Å²	66	91.2 Å²	91.2	35%	0.346	49%	0.492	S	S	.	.	H	α-helix	trans	-66.9	-43.5	174.7	-171.3	70.1	0	0	0	111.9	N1975 T1976 Q1977 Q1981 L1982 L1983 L2084 L2087	N1975-L1979 VanDerWaalsContact O-CB 3.27Å; N1975-L1979 WeakPolarHBondContact O-CB 3.33Å; N1975-L1979 PolarHBondContact O-N 3.34Å; T1976-L1979 CarbonylContact O-C 3.4Å; T1976-L1979 WeakPolarHBondContact O-CB 3.38Å; T1976-L1979 PolarHBondContact O-N 2.93Å; Q1977-L1979 VanDerWaalsContact C-N 3.32Å; Q1977-L1979 PolarHBondContact O-N 3.15Å; L1979-Q1981 VanDerWaalsContact C-N 3.31Å; L1979-Q1981 PolarHBondContact O-N 3.11Å; L1979-L1982 HydrophobicContact CD1-CD2 4.49Å; L1979-L1982 CarbonylContact O-C 3.57Å; L1979-L1982 WeakPolarHBondContact O-CB 3.27Å; L1979-L1982 PolarHBondContact O-N 3.26Å; L1979-L1983 HydrophobicContact CD2-CD1 4.39Å; L1979-L1983 HydrophobicContact CG-CD1 4.08Å; L1979-L1983 HydrophobicContact CG-CG 4.45Å; L1979-L1983 WeakPolarHBondContact O-CB 3.36Å; L1979-L1983 WeakPolarHBondContact O-CD1 3.35Å; L1979-L1983 VanDerWaalsContact O-CG 3.27Å; L1979-L1983 WeakPolarHBondContact O-CG 3.3Å; L1979-L1983 PolarHBondContact O-N 3.3Å; L1979-L2084 HydrophobicContact CB-CD1 4.43Å; L1979-L2084 HydrophobicContact CD1-CD1 4.06Å; L1979-L2087 HydrophobicContact CD1-CD2 3.89Å
1980	L	45.7	Very low	40	Very low	106.25 Å²	106.25	92.6 Å²	92.6	56%	0.556	50%	0.498	S	S	*	.	H	α-helix	trans	-64.1	-37.9	173.6	-94.1	74.5	0	0	0	111.8	T1976 Q1977 L1982 L1983 S1984	T1976-L1980 HydrophobicContact CG2-CD1 4.25Å; T1976-L1980 VanDerWaalsContact O-CD1 3.27Å; T1976-L1980 WeakPolarHBondContact O-CD1 3.38Å; T1976-L1980 PolarHBondContact O-N 2.93Å; Q1977-L1980 PolarHBondContact O-N 2.96Å; L1980-L1982 VanDerWaalsContact C-N 3.3Å; L1980-L1982 PolarHBondContact O-N 2.76Å; L1980-L1983 PolarHBondContact O-N 3.04Å; L1980-S1984 WeakPolarHBondContact O-CB 3.32Å; L1980-S1984 PolarHBondContact O-N 3.21Å; L1980-S1984 PolarHBondContact O-OG 3.19Å
1981	Q	46.7	Very low	40.4	Very low	140.5 Å²	140.5	92.4 Å²	92.4	66%	0.657	49%	0.492	S	S	*	.	H	α-helix	trans	-66.9	-39.2	176.2	-159.5	123.3	57.3	0	0	111.4	Q1977 Q1978 L1979 S1984 A1985	Q1977-Q1981 VanDerWaalsContact O-CB 3.26Å; Q1977-Q1981 WeakPolarHBondContact O-CB 3.33Å; Q1977-Q1981 PolarHBondContact O-N 3.19Å; Q1978-Q1981 WeakPolarHBondContact O-CB 3.5Å; Q1978-Q1981 PolarHBondContact O-N 2.98Å; L1979-Q1981 VanDerWaalsContact C-N 3.31Å; L1979-Q1981 PolarHBondContact O-N 3.11Å; Q1981-S1984 WeakPolarHBondContact CA-OG 3.44Å; Q1981-S1984 PolarHBondContact O-N 3.07Å; Q1981-S1984 PolarHBondContact O-OG 3.17Å; Q1981-S1984 VanDerWaalsContact O-OG 3.05Å; Q1981-A1985 WeakPolarHBondContact O-CB 3.41Å; Q1981-A1985 PolarHBondContact O-N 3Å
1982	L	46.6	Very low	41.1	Very low	23 Å²	23	92 Å²	92	12%	0.12	49%	0.49	C	S	.	.	H	α-helix	trans	-64.2	-47.6	172.5	-175	70.8	0	0	0	112.1	Q1978 L1979 L1980 S1984 A1985 L1986 L1998 L2002 L2084 L2088	Q1978-L1982 VanDerWaalsContact O-CB 3.26Å; Q1978-L1982 WeakPolarHBondContact O-CB 3.44Å; Q1978-L1982 PolarHBondContact O-N 2.87Å; L1979-L1982 HydrophobicContact CD1-CD2 4.49Å; L1979-L1982 CarbonylContact O-C 3.57Å; L1979-L1982 WeakPolarHBondContact O-CB 3.27Å; L1979-L1982 PolarHBondContact O-N 3.26Å; L1980-L1982 VanDerWaalsContact C-N 3.3Å; L1980-L1982 PolarHBondContact O-N 2.76Å; L1982-S1984 VanDerWaalsContact C-N 3.33Å; L1982-S1984 PolarHBondContact O-N 3.03Å; L1982-A1985 CarbonylContact O-C 3.6Å; L1982-A1985 PolarHBondContact O-N 3.12Å; L1982-L1986 HydrophobicContact CD1-CD1 4.21Å; L1982-L1986 HydrophobicContact CD1-CG 4.35Å; L1982-L1986 HydrophobicContact CD2-CD1 4.09Å; L1982-L1986 HydrophobicContact CG-CD1 4.22Å; L1982-L1986 WeakPolarHBondContact O-CB 2.94Å; L1982-L1986 VanDerWaalsContact O-CG 3.23Å; L1982-L1986 WeakPolarHBondContact O-CG 3.41Å; L1982-L1986 PolarHBondContact O-N 3.35Å; L1982-L1998 HydrophobicContact CD1-CD2 3.81Å; L1982-L1998 HydrophobicContact CD2-CD2 4.39Å; L1982-L1998 HydrophobicContact CG-CD2 4.41Å; L1982-L2002 HydrophobicContact CD1-CD1 3.44Å; L1982-L2002 VanDerWaalsContact CD1-CD1 3.41Å; L1982-L2002 HydrophobicContact CD1-CD2 4.25Å; L1982-L2002 HydrophobicContact CD1-CG 4.46Å; L1982-L2084 HydrophobicContact CD2-CD1 4.43Å; L1982-L2088 HydrophobicContact CD2-CD2 4.1Å
1983	L	45.2	Very low	41.7	Very low	80 Å²	80	94.8 Å²	94.8	42%	0.419	50%	0.503	S	S	.	.	H	α-helix	trans	-63.6	-38.4	178.6	-72.1	166.4	0	0	0	111.7	L1979 L1980 L1986 N1987	L1979-L1983 HydrophobicContact CD2-CD1 4.39Å; L1979-L1983 HydrophobicContact CG-CD1 4.08Å; L1979-L1983 HydrophobicContact CG-CG 4.45Å; L1979-L1983 WeakPolarHBondContact O-CB 3.36Å; L1979-L1983 WeakPolarHBondContact O-CD1 3.35Å; L1979-L1983 VanDerWaalsContact O-CG 3.27Å; L1979-L1983 WeakPolarHBondContact O-CG 3.3Å; L1979-L1983 PolarHBondContact O-N 3.3Å; L1980-L1983 PolarHBondContact O-N 3.04Å; L1983-L1986 PolarHBondContact O-N 2.89Å; L1983-N1987 WeakPolarHBondContact O-CB 3.15Å; L1983-N1987 PolarHBondContact O-N 3.05Å
1984	S	46.7	Very low	42.3	Very low	60.75 Å²	60.75	94.9 Å²	94.9	43%	0.425	50%	0.503	S	S	.	.	H	α-helix	trans	-69.5	-36.8	174.1	62.6	0	0	0	0	112.8	L1980 Q1981 L1982 L1986 N1987 T1988	L1980-S1984 WeakPolarHBondContact O-CB 3.32Å; L1980-S1984 PolarHBondContact O-N 3.21Å; L1980-S1984 PolarHBondContact O-OG 3.19Å; Q1981-S1984 WeakPolarHBondContact CA-OG 3.44Å; Q1981-S1984 PolarHBondContact O-N 3.07Å; Q1981-S1984 PolarHBondContact O-OG 3.17Å; Q1981-S1984 VanDerWaalsContact O-OG 3.05Å; L1982-S1984 VanDerWaalsContact C-N 3.33Å; L1982-S1984 PolarHBondContact O-N 3.03Å; S1984-L1986 VanDerWaalsContact C-N 3.34Å; S1984-N1987 PolarHBondContact O-N 3.12Å; S1984-T1988 WeakPolarHBondContact O-CG2 3.33Å; S1984-T1988 PolarHBondContact O-N 3.06Å; S1984-T1988 PolarHBondContact O-OG1 3.04Å; S1984-T1988 VanDerWaalsContact O-OG1 3.12Å
1985	A	44.4	Very low	43	Very low	32.25 Å²	32.25	92.7 Å²	92.7	27%	0.267	49%	0.488	S	S	.	.	H	α-helix	trans	-66.6	-39.9	173.5	0	0	0	0	0	112	Q1981 L1982 N1987 T1988 L1989 L1998	Q1981-A1985 WeakPolarHBondContact O-CB 3.41Å; Q1981-A1985 PolarHBondContact O-N 3Å; L1982-A1985 CarbonylContact O-C 3.6Å; L1982-A1985 PolarHBondContact O-N 3.12Å; A1985-N1987 VanDerWaalsContact C-N 3.34Å; A1985-N1987 PolarHBondContact O-N 3.1Å; A1985-T1988 PolarHBondContact O-N 3.06Å; A1985-T1988 PolarHBondContact O-OG1 3.35Å; A1985-T1988 VanDerWaalsContact O-OG1 3.08Å; A1985-L1989 WeakPolarHBondContact O-CG 3.41Å; A1985-L1998 HydrophobicContact CB-CD1 4.16Å; A1985-L1998 HydrophobicContact CB-CD2 4.04Å
1986	L	46.3	Very low	43.5	Very low	64 Å²	64	94.3 Å²	94.3	34%	0.335	50%	0.501	S	S	.	.	H	α-helix	trans	-64.8	-40.9	174.3	-71.3	167.5	0	0	0	111.7	L1982 L1983 S1984 T1988 L1989 V1995 L1998	L1982-L1986 HydrophobicContact CD1-CD1 4.21Å; L1982-L1986 HydrophobicContact CD1-CG 4.35Å; L1982-L1986 HydrophobicContact CD2-CD1 4.09Å; L1982-L1986 HydrophobicContact CG-CD1 4.22Å; L1982-L1986 WeakPolarHBondContact O-CB 2.94Å; L1982-L1986 VanDerWaalsContact O-CG 3.23Å; L1982-L1986 WeakPolarHBondContact O-CG 3.41Å; L1982-L1986 PolarHBondContact O-N 3.35Å; L1983-L1986 PolarHBondContact O-N 2.89Å; S1984-L1986 VanDerWaalsContact C-N 3.34Å; L1986-T1988 PolarHBondContact O-N 3.06Å; L1986-T1988 VanDerWaalsContact O-N 3.13Å; L1986-L1989 HydrophobicContact CD2-CD1 4.24Å; L1986-L1989 PolarHBondContact O-N 3.17Å; L1986-L1989 VanDerWaalsContact O-N 3.17Å; L1986-V1995 HydrophobicContact CD2-CG1 4.18Å; L1986-V1995 HydrophobicContact CD2-CG2 3.93Å; L1986-L1998 HydrophobicContact CD2-CD2 3.88Å; L1986-L1998 HydrophobicContact CG-CD2 4.23Å
1987	N	44.7	Very low	44.1	Very low	140.75 Å²	140.75	97.3 Å²	97.3	75%	0.753	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-10.6	175.2	-99.6	-4.3	0	0	0	114.7	L1401 L1983 S1984 A1985	L1401-N1987 WeakPolarHBondContact CD1-ND2 3.5Å; L1983-N1987 WeakPolarHBondContact O-CB 3.15Å; L1983-N1987 PolarHBondContact O-N 3.05Å; S1984-N1987 PolarHBondContact O-N 3.12Å; A1985-N1987 VanDerWaalsContact C-N 3.34Å; A1985-N1987 PolarHBondContact O-N 3.1Å
1988	T	48.2	Very low	44.6	Very low	100.5 Å²	100.5	93.2 Å²	93.2	62%	0.617	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-3.9	176.8	49.8	0	0	0	0	114.1	S1984 A1985 L1986 Q1990	S1984-T1988 WeakPolarHBondContact O-CG2 3.33Å; S1984-T1988 PolarHBondContact O-N 3.06Å; S1984-T1988 PolarHBondContact O-OG1 3.04Å; S1984-T1988 VanDerWaalsContact O-OG1 3.12Å; A1985-T1988 PolarHBondContact O-N 3.06Å; A1985-T1988 PolarHBondContact O-OG1 3.35Å; A1985-T1988 VanDerWaalsContact O-OG1 3.08Å; L1986-T1988 PolarHBondContact O-N 3.06Å; L1986-T1988 VanDerWaalsContact O-N 3.13Å; T1988-Q1990 PolarHBondContact O-N 3.07Å; T1988-Q1990 VanDerWaalsContact O-N 3.09Å
1989	L	41.8	Very low	44.9	Very low	47 Å²	47	90.5 Å²	90.5	25%	0.246	48%	0.481	C	S	.	.			trans	-82.6	98.7	-179.8	-65.3	-179.4	0	0	0	112	A1985 L1986 N1991 Q1994 V1995 L1998	A1985-L1989 WeakPolarHBondContact O-CG 3.41Å; L1986-L1989 HydrophobicContact CD2-CD1 4.24Å; L1986-L1989 PolarHBondContact O-N 3.17Å; L1986-L1989 VanDerWaalsContact O-N 3.17Å; L1989-N1991 PolarHBondContact O-N 3.13Å; L1989-N1991 VanDerWaalsContact O-N 3.12Å; L1989-Q1994 HydrophobicContact CD1-CB 4.36Å; L1989-Q1994 HydrophobicContact CD2-CB 3.89Å; L1989-V1995 HydrophobicContact CD1-CB 4.35Å; L1989-V1995 HydrophobicContact CD1-CG2 3.55Å; L1989-V1995 VanDerWaalsContact CD1-CG2 3.46Å; L1989-L1998 HydrophobicContact CD1-CB 4.28Å; L1989-L1998 HydrophobicContact CD1-CD2 4.26Å
1990	Q	42.2	Very low	45.2	Very low	194.75 Å²	194.75	89.4 Å²	89.4	91%	0.91	48%	0.479	S	S	*	.	S	Bend	trans	-67.8	-2.4	171.8	-68.4	-172.9	-20	0	0	114.3	T1988	T1988-Q1990 PolarHBondContact O-N 3.07Å; T1988-Q1990 VanDerWaalsContact O-N 3.09Å
1991	N	38.1	Very low	45.4	Very low	106.25 Å²	106.25	88.4 Å²	88.4	57%	0.568	47%	0.474	S	S	*	.	S	Bend	trans	-143	123.6	-179.3	-117	-58	0	0	0	110.9	L1989 D1993 Q1994	L1989-N1991 PolarHBondContact O-N 3.13Å; L1989-N1991 VanDerWaalsContact O-N 3.12Å; N1991-D1993 PolarHBondContact O-N 3.23Å; N1991-Q1994 PolarHBondContact O-N 2.96Å; N1991-Q1994 VanDerWaalsContact O-N 3.13Å
1992	L	39.8	Very low	45.4	Very low	137.25 Å²	137.25	84.1 Å²	84.1	72%	0.719	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-65.5	-24.2	-175.5	-118.9	69.3	0	0	0	113.2	Q1994 V1995 P1996	L1992-Q1994 VanDerWaalsContact C-N 3.29Å; L1992-Q1994 PolarHBondContact O-N 3.22Å; L1992-Q1994 VanDerWaalsContact O-N 3.1Å; L1992-V1995 VanDerWaalsContact O-CB 3.3Å; L1992-V1995 WeakPolarHBondContact O-CB 3.31Å; L1992-V1995 VanDerWaalsContact O-CG2 3.32Å; L1992-V1995 WeakPolarHBondContact O-CG2 3.31Å; L1992-V1995 PolarHBondContact O-N 3.03Å; L1992-P1996 WeakPolarHBondContact O-CD 3.43Å
1993	D	42.5	Very low	45.1	Very low	136 Å²	136	87.3 Å²	87.3	73%	0.727	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-63.1	-16.6	-177.5	-158.8	42.8	0	0	0	113.9	N1991 P1996	N1991-D1993 PolarHBondContact O-N 3.23Å; D1993-P1996 WeakPolarHBondContact O-CD 3.29Å
1994	Q	43.4	Very low	45.1	Very low	105.5 Å²	105.5	89.5 Å²	89.5	49%	0.493	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-89.8	-14.4	177.5	-62.8	-178.5	31	0	0	113.8	L1989 N1991 L1992 P1996 Q1997 L1998	L1989-Q1994 HydrophobicContact CD1-CB 4.36Å; L1989-Q1994 HydrophobicContact CD2-CB 3.89Å; N1991-Q1994 PolarHBondContact O-N 2.96Å; N1991-Q1994 VanDerWaalsContact O-N 3.13Å; L1992-Q1994 VanDerWaalsContact C-N 3.29Å; L1992-Q1994 PolarHBondContact O-N 3.22Å; L1992-Q1994 VanDerWaalsContact O-N 3.1Å; Q1994-P1996 VanDerWaalsContact C-CD 3.43Å; Q1994-Q1997 PolarHBondContact O-N 3.27Å; Q1994-Q1997 VanDerWaalsContact O-N 3.15Å; Q1994-L1998 PolarHBondContact O-N 3.24Å
1995	V	46.6	Very low	44.9	Very low	42.25 Å²	42.25	91 Å²	91	26%	0.256	49%	0.485	S	S	.	.	H	α-helix	trans	-58	-43	-179.1	178.5	0	0	0	0	112.6	L1986 L1989 L1992 Q1997 L1998 L1999	L1986-V1995 HydrophobicContact CD2-CG1 4.18Å; L1986-V1995 HydrophobicContact CD2-CG2 3.93Å; L1989-V1995 HydrophobicContact CD1-CB 4.35Å; L1989-V1995 HydrophobicContact CD1-CG2 3.55Å; L1989-V1995 VanDerWaalsContact CD1-CG2 3.46Å; L1992-V1995 VanDerWaalsContact O-CB 3.3Å; L1992-V1995 WeakPolarHBondContact O-CB 3.31Å; L1992-V1995 VanDerWaalsContact O-CG2 3.32Å; L1992-V1995 WeakPolarHBondContact O-CG2 3.31Å; L1992-V1995 PolarHBondContact O-N 3.03Å; V1995-Q1997 VanDerWaalsContact C-N 3.33Å; V1995-Q1997 PolarHBondContact O-N 3.15Å; V1995-L1998 PolarHBondContact O-N 3.03Å; V1995-L1999 HydrophobicContact CG1-CD1 3.94Å; V1995-L1999 HydrophobicContact CG1-CG 4.42Å; V1995-L1999 WeakPolarHBondContact O-CB 3.26Å; V1995-L1999 WeakPolarHBondContact O-CG 3.25Å; V1995-L1999 PolarHBondContact O-N 3.37Å
1996	P	44.8	Very low	44.5	Very low	83.75 Å²	83.75	92 Å²	92	54%	0.544	49%	0.49	S	S	.	.	H	α-helix	trans	-63.3	-36	177.2	-23	35.1	0	0	0	113.5	L1992 D1993 Q1994 S2000	L1992-P1996 WeakPolarHBondContact O-CD 3.43Å; D1993-P1996 WeakPolarHBondContact O-CD 3.29Å; Q1994-P1996 VanDerWaalsContact C-CD 3.43Å; P1996-S2000 VanDerWaalsContact O-CB 3.24Å; P1996-S2000 WeakPolarHBondContact O-CB 3.33Å; P1996-S2000 PolarHBondContact O-N 3.36Å
1997	Q	50	Low	43.9	Very low	136.75 Å²	136.75	93.3 Å²	93.3	64%	0.639	51%	0.505	S	S	*	.	H	α-helix	trans	-68.6	-42.3	176.6	-68.6	-166.3	5.4	0	0	111.6	Q1994 V1995 L1999 S2000 N2001	Q1994-Q1997 PolarHBondContact O-N 3.27Å; Q1994-Q1997 VanDerWaalsContact O-N 3.15Å; V1995-Q1997 VanDerWaalsContact C-N 3.33Å; V1995-Q1997 PolarHBondContact O-N 3.15Å; Q1997-L1999 PolarHBondContact O-N 2.82Å; Q1997-S2000 VanDerWaalsContact O-CB 3.3Å; Q1997-S2000 WeakPolarHBondContact O-CB 3.4Å; Q1997-S2000 PolarHBondContact O-N 3.19Å; Q1997-S2000 PolarHBondContact O-OG 2.85Å; Q1997-N2001 WeakPolarHBondContact O-CB 3.37Å; Q1997-N2001 VanDerWaalsContact O-CG 3.24Å; Q1997-N2001 PolarHBondContact O-N 3.09Å; Q1997-N2001 PolarHBondContact O-ND2 3.23Å; Q1997-N2001 PolarHBondContact O-OD1 3.02Å
1998	L	51.3	Low	43.4	Very low	47.25 Å²	47.25	94.1 Å²	94.1	25%	0.247	50%	0.504	C	S	.	.	H	α-helix	trans	-59.2	-49.2	177.2	-157	99.7	0	0	0	110.9	L1982 A1985 L1986 L1989 Q1994 V1995 S2000 N2001 L2002	L1982-L1998 HydrophobicContact CD1-CD2 3.81Å; L1982-L1998 HydrophobicContact CD2-CD2 4.39Å; L1982-L1998 HydrophobicContact CG-CD2 4.41Å; A1985-L1998 HydrophobicContact CB-CD1 4.16Å; A1985-L1998 HydrophobicContact CB-CD2 4.04Å; L1986-L1998 HydrophobicContact CD2-CD2 3.88Å; L1986-L1998 HydrophobicContact CG-CD2 4.23Å; L1989-L1998 HydrophobicContact CD1-CB 4.28Å; L1989-L1998 HydrophobicContact CD1-CD2 4.26Å; Q1994-L1998 PolarHBondContact O-N 3.24Å; V1995-L1998 PolarHBondContact O-N 3.03Å; L1998-S2000 VanDerWaalsContact C-N 3.33Å; L1998-S2000 PolarHBondContact O-N 3.23Å; L1998-N2001 PolarHBondContact O-N 3.38Å; L1998-N2001 VanDerWaalsContact O-N 3.09Å; L1998-L2002 HydrophobicContact CD2-CD1 4.32Å; L1998-L2002 HydrophobicContact CG-CD1 4.07Å; L1998-L2002 WeakPolarHBondContact O-CB 3.38Å; L1998-L2002 WeakPolarHBondContact O-CD1 3.4Å; L1998-L2002 WeakPolarHBondContact O-CG 3.31Å; L1998-L2002 PolarHBondContact O-N 3.03Å
1999	L	47.5	Very low	42.5	Very low	49.25 Å²	49.25	98.3 Å²	98.3	26%	0.258	51%	0.514	S	S	.	.	H	α-helix	trans	-61.4	-40.3	175.8	-72.9	166.8	0	0	0	112.4	V1995 Q1997 N2001 L2002 L2003 L2088 L2092	V1995-L1999 HydrophobicContact CG1-CD1 3.94Å; V1995-L1999 HydrophobicContact CG1-CG 4.42Å; V1995-L1999 WeakPolarHBondContact O-CB 3.26Å; V1995-L1999 WeakPolarHBondContact O-CG 3.25Å; V1995-L1999 PolarHBondContact O-N 3.37Å; Q1997-L1999 PolarHBondContact O-N 2.82Å; L1999-N2001 VanDerWaalsContact C-N 3.29Å; L1999-N2001 PolarHBondContact O-N 3.04Å; L1999-L2002 PolarHBondContact O-N 2.97Å; L1999-L2003 WeakPolarHBondContact O-CB 3.41Å; L1999-L2003 WeakPolarHBondContact O-CD1 3.47Å; L1999-L2003 VanDerWaalsContact O-CG 3.24Å; L1999-L2003 WeakPolarHBondContact O-CG 3.39Å; L1999-L2003 PolarHBondContact O-N 3.13Å; L1999-L2088 HydrophobicContact CD2-CD2 4.1Å; L1999-L2092 HydrophobicContact CB-CD1 4.48Å; L1999-L2092 HydrophobicContact CB-CD2 4.06Å; L1999-L2092 HydrophobicContact CD1-CD2 3.78Å; L1999-L2092 HydrophobicContact CD2-CD1 4.48Å; L1999-L2092 HydrophobicContact CD2-CD2 4.46Å
2000	S	47	Very low	41.8	Very low	43.25 Å²	43.25	100.3 Å²	100.3	30%	0.302	54%	0.537	S	S	.	.	H	α-helix	trans	-60.4	-33.3	175.2	122	0	0	0	0	112.8	P1996 Q1997 L1998 L2003 K2004	P1996-S2000 VanDerWaalsContact O-CB 3.24Å; P1996-S2000 WeakPolarHBondContact O-CB 3.33Å; P1996-S2000 PolarHBondContact O-N 3.36Å; Q1997-S2000 VanDerWaalsContact O-CB 3.3Å; Q1997-S2000 WeakPolarHBondContact O-CB 3.4Å; Q1997-S2000 PolarHBondContact O-N 3.19Å; Q1997-S2000 PolarHBondContact O-OG 2.85Å; L1998-S2000 VanDerWaalsContact C-N 3.33Å; L1998-S2000 PolarHBondContact O-N 3.23Å; S2000-L2003 PolarHBondContact O-N 3.08Å; S2000-K2004 VanDerWaalsContact O-CB 3.27Å; S2000-K2004 WeakPolarHBondContact O-CB 3.43Å; S2000-K2004 VanDerWaalsContact O-CD 3.22Å; S2000-K2004 WeakPolarHBondContact O-CD 3.33Å; S2000-K2004 WeakPolarHBondContact O-CE 3.32Å; S2000-K2004 VanDerWaalsContact O-CG 3.26Å; S2000-K2004 WeakPolarHBondContact O-CG 3.34Å; S2000-K2004 PolarHBondContact O-N 3.07Å; S2000-K2004 VanDerWaalsContact O-N 3.08Å; S2000-K2004 WeakPolarHBondContact OG-CE 3.44Å; S2000-K2004 PolarHBondContact OG-NZ 3.31Å
2001	N	50	Low	41	Very low	85.3333 Å²	85.3333	98.5 Å²	98.5	46%	0.456	53%	0.534	S	S	.	.	H	α-helix	trans	-77	-34	-177.5	-66	-17.3	0	0	0	111.7	Q1997 L1998 L1999 K2004 T2005	Q1997-N2001 WeakPolarHBondContact O-CB 3.37Å; Q1997-N2001 VanDerWaalsContact O-CG 3.24Å; Q1997-N2001 PolarHBondContact O-N 3.09Å; Q1997-N2001 PolarHBondContact O-ND2 3.23Å; Q1997-N2001 PolarHBondContact O-OD1 3.02Å; L1998-N2001 PolarHBondContact O-N 3.38Å; L1998-N2001 VanDerWaalsContact O-N 3.09Å; L1999-N2001 VanDerWaalsContact C-N 3.29Å; L1999-N2001 PolarHBondContact O-N 3.04Å; N2001-K2004 PolarHBondContact O-N 3.08Å; N2001-K2004 PolarHBondContact OD1-NZ 3.16Å; N2001-K2004 VanDerWaalsContact OD1-NZ 3.15Å; N2001-T2005 WeakPolarHBondContact O-CB 3.25Å; N2001-T2005 WeakPolarHBondContact O-CG2 3.41Å; N2001-T2005 PolarHBondContact O-N 3.05Å; N2001-T2005 PolarHBondContact O-OG1 3.05Å; N2001-T2005 VanDerWaalsContact O-OG1 3.14Å
2002	L	46.6	Very low	40.5	Very low	50.3333 Å²	50.3333	98.6 Å²	98.6	26%	0.264	54%	0.54	S	S	.	.	H	α-helix	trans	-65.7	-42.4	170.8	-72.7	157.5	0	0	0	112.1	L1982 L1998 L1999 K2004 T2005 S2006 L2088	L1982-L2002 HydrophobicContact CD1-CD1 3.44Å; L1982-L2002 VanDerWaalsContact CD1-CD1 3.41Å; L1982-L2002 HydrophobicContact CD1-CD2 4.25Å; L1982-L2002 HydrophobicContact CD1-CG 4.46Å; L1998-L2002 HydrophobicContact CD2-CD1 4.32Å; L1998-L2002 HydrophobicContact CG-CD1 4.07Å; L1998-L2002 WeakPolarHBondContact O-CB 3.38Å; L1998-L2002 WeakPolarHBondContact O-CD1 3.4Å; L1998-L2002 WeakPolarHBondContact O-CG 3.31Å; L1998-L2002 PolarHBondContact O-N 3.03Å; L1999-L2002 PolarHBondContact O-N 2.97Å; L2002-K2004 VanDerWaalsContact C-N 3.27Å; L2002-K2004 PolarHBondContact O-N 3.05Å; L2002-T2005 WeakPolarHBondContact CA-OG1 3.26Å; L2002-T2005 PolarHBondContact O-N 3.2Å; L2002-T2005 VanDerWaalsContact O-N 3.15Å; L2002-T2005 PolarHBondContact O-OG1 3.17Å; L2002-T2005 VanDerWaalsContact O-OG1 3.08Å; L2002-S2006 WeakPolarHBondContact O-CB 3.45Å; L2002-S2006 PolarHBondContact O-N 3.1Å; L2002-S2006 PolarHBondContact O-OG 3.14Å; L2002-L2088 HydrophobicContact CB-CD1 4.3Å
2003	L	41.1	Very low	39.8	Very low	90 Å²	90	97.8 Å²	97.8	47%	0.471	54%	0.54	S	S	.	.	H	α-helix	trans	-62.2	-41.4	173.7	-77.4	167.7	0	0	0	112.1	L1999 S2000 T2005 S2006 S2007 L2092	L1999-L2003 WeakPolarHBondContact O-CB 3.41Å; L1999-L2003 WeakPolarHBondContact O-CD1 3.47Å; L1999-L2003 VanDerWaalsContact O-CG 3.24Å; L1999-L2003 WeakPolarHBondContact O-CG 3.39Å; L1999-L2003 PolarHBondContact O-N 3.13Å; S2000-L2003 PolarHBondContact O-N 3.08Å; L2003-T2005 VanDerWaalsContact C-N 3.28Å; L2003-T2005 PolarHBondContact O-N 3.24Å; L2003-S2006 PolarHBondContact O-N 3.13Å; L2003-S2006 PolarHBondContact O-OG 3.23Å; L2003-S2007 PolarHBondContact O-N 3.32Å; L2003-S2007 PolarHBondContact O-OG 2.92Å; L2003-S2007 VanDerWaalsContact O-OG 3.13Å; L2003-L2092 HydrophobicContact CD1-CD1 3.59Å; L2003-L2092 HydrophobicContact CD1-CD2 3.74Å; L2003-L2092 HydrophobicContact CD1-CG 4.17Å; L2003-L2092 HydrophobicContact CD2-CD1 3.97Å; L2003-L2092 HydrophobicContact CG-CD1 3.54Å
2004	K	43.4	Very low	39.2	Very low	126 Å²	126	97.1 Å²	97.1	55%	0.548	55%	0.547	S	S	.	.	H	α-helix	trans	-67.4	-22.6	176.3	-71.8	162	-172.1	155.3	0	113.8	S2000 N2001 L2002 S2007	S2000-K2004 VanDerWaalsContact O-CB 3.27Å; S2000-K2004 WeakPolarHBondContact O-CB 3.43Å; S2000-K2004 VanDerWaalsContact O-CD 3.22Å; S2000-K2004 WeakPolarHBondContact O-CD 3.33Å; S2000-K2004 WeakPolarHBondContact O-CE 3.32Å; S2000-K2004 VanDerWaalsContact O-CG 3.26Å; S2000-K2004 WeakPolarHBondContact O-CG 3.34Å; S2000-K2004 PolarHBondContact O-N 3.07Å; S2000-K2004 VanDerWaalsContact O-N 3.08Å; S2000-K2004 WeakPolarHBondContact OG-CE 3.44Å; S2000-K2004 PolarHBondContact OG-NZ 3.31Å; N2001-K2004 PolarHBondContact O-N 3.08Å; N2001-K2004 PolarHBondContact OD1-NZ 3.16Å; N2001-K2004 VanDerWaalsContact OD1-NZ 3.15Å; L2002-K2004 VanDerWaalsContact C-N 3.27Å; L2002-K2004 PolarHBondContact O-N 3.05Å; K2004-S2007 PolarHBondContact O-OG 3.1Å; K2004-S2007 VanDerWaalsContact O-OG 3.13Å
2005	T	43.4	Very low	38.3	Very low	91.6667 Å²	91.6667	101.4 Å²	101.4	56%	0.562	56%	0.564	S	S	*	*	H	α-helix	trans	-93.6	-27.6	175.9	49.7	0	0	0	0	113.4	N2001 L2002 L2003 S2007 Q2008	N2001-T2005 WeakPolarHBondContact O-CB 3.25Å; N2001-T2005 WeakPolarHBondContact O-CG2 3.41Å; N2001-T2005 PolarHBondContact O-N 3.05Å; N2001-T2005 PolarHBondContact O-OG1 3.05Å; N2001-T2005 VanDerWaalsContact O-OG1 3.14Å; L2002-T2005 WeakPolarHBondContact CA-OG1 3.26Å; L2002-T2005 PolarHBondContact O-N 3.2Å; L2002-T2005 VanDerWaalsContact O-N 3.15Å; L2002-T2005 PolarHBondContact O-OG1 3.17Å; L2002-T2005 VanDerWaalsContact O-OG1 3.08Å; L2003-T2005 VanDerWaalsContact C-N 3.28Å; L2003-T2005 PolarHBondContact O-N 3.24Å; T2005-S2007 VanDerWaalsContact C-N 3.29Å; T2005-S2007 PolarHBondContact O-N 2.81Å; T2005-Q2008 PolarHBondContact O-N 3.17Å
2006	S	36.8	Very low	37.5	Very low	54.6667 Å²	54.6667	104.9 Å²	104.9	38%	0.382	59%	0.59	S	S	.	*	H	α-helix	trans	-70.1	-23.9	175.6	100.3	0	0	0	0	113.7	L2002 L2003 Q2008 F2009	L2002-S2006 WeakPolarHBondContact O-CB 3.45Å; L2002-S2006 PolarHBondContact O-N 3.1Å; L2002-S2006 PolarHBondContact O-OG 3.14Å; L2003-S2006 PolarHBondContact O-N 3.13Å; L2003-S2006 PolarHBondContact O-OG 3.23Å; S2006-Q2008 PolarHBondContact O-N 2.84Å; S2006-F2009 PolarHBondContact O-N 3.15Å
2007	S	33.3	Very low	36.7	Very low	91.3333 Å²	91.3333	106 Å²	106	64%	0.639	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	10.8	-173.3	59.8	0	0	0	0	115.7	L2003 K2004 T2005	L2003-S2007 PolarHBondContact O-N 3.32Å; L2003-S2007 PolarHBondContact O-OG 2.92Å; L2003-S2007 VanDerWaalsContact O-OG 3.13Å; K2004-S2007 PolarHBondContact O-OG 3.1Å; K2004-S2007 VanDerWaalsContact O-OG 3.13Å; T2005-S2007 VanDerWaalsContact C-N 3.29Å; T2005-S2007 PolarHBondContact O-N 2.81Å
2008	Q	34.1	Very low	35.8	Very low	156.667 Å²	156.667	106.5 Å²	106.5	73%	0.732	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-3.1	179.8	-63	-168	6.5	0	0	115.1	T2005 S2006	T2005-Q2008 PolarHBondContact O-N 3.17Å; S2006-Q2008 PolarHBondContact O-N 2.84Å
2009	F	28.6	Very low	34.7	Very low	189.667 Å²	189.667	107.8 Å²	107.8	83%	0.832	64%	0.637	S	S	*	*			trans	-122.8	80	-175.5	-73.8	-85.4	0	0	0	113.3	S2006	S2006-F2009 PolarHBondContact O-N 3.15Å
2010	A	27.4	Very low	34	Very low	88 Å²	88	111.7 Å²	111.7	73%	0.727	67%	0.668	S	S	*	*			trans	-146.7	109.6	174.6	0	0	0	0	0	112.8
2011	N	25	Very low	33.1	Very low	158 Å²	158	112.9 Å²	112.9	85%	0.845	69%	0.688	S	S	*	*			trans	161.4	160.9	165.3	-101.6	-35.5	0	0	0	113.7
2012	P	28.9	Very low	32.1	Very low	108.667 Å²	108.667	113.3 Å²	113.3	71%	0.706	70%	0.703	S	S	*	*			cis	-128.3	167.8	-44.9	36.4	-21.5	0	0	0	115.7
2013	V	23.9	Very low	31.2	Very low	118.667 Å²	118.667	118.2 Å²	118.2	72%	0.719	73%	0.734	S	S	*	*			trans	-25.3	139.6	163.3	179	0	0	0	0	117	K2015	V2013-K2015 HydrophobicContact CG1-CD 4.42Å; V2013-K2015 HydrophobicContact CG1-CG 3.94Å
2014	S	30.4	Very low	30.6	Very low	122.333 Å²	122.333	117.1 Å²	117.1	86%	0.855	75%	0.745	S	S	*	*			trans	-137.5	142.7	153.9	-77	0	0	0	0	111.3
2015	K	24.9	Very low	30	Very low	196 Å²	196	118 Å²	118	85%	0.852	76%	0.761	S	S	*	*			trans	-127.2	136.2	-178	-69.9	-178.7	178.8	179.5	0	111.5	V2013	V2013-K2015 HydrophobicContact CG1-CD 4.42Å; V2013-K2015 HydrophobicContact CG1-CG 3.94Å
2016	S	29.6	Very low	29.2	Very low	115.667 Å²	115.667	117.8 Å²	117.8	81%	0.809	77%	0.769	S	S	*	*			trans	-161.8	140.2	162.2	54.6	0	0	0	0	110.4
2017	S	27.1	Very low	28.8	Very low	105.667 Å²	105.667	121.5 Å²	121.5	74%	0.739	79%	0.792	S	S	*	*			cis	145.3	123.3	-25.2	68.7	0	0	0	0	113.7
2018	T	31.9	Very low	28.5	Very low	148.667 Å²	148.667	122.5 Å²	122.5	91%	0.912	80%	0.798	S	S	*	*			trans	160.3	140.5	170.1	46.6	0	0	0	0	111.3
2019	G	28.9	Very low	28.2	Very low	73.3333 Å²	73.3333	122 Å²	122	76%	0.756	81%	0.806	S	S	*	*			cis	149.7	129.4	-15.8	0	0	0	0	0	114.6
2020	S	32	Very low	28	Very low	131.667 Å²	131.667	115.9 Å²	115.9	92%	0.921	80%	0.796	S	S	*	*			trans	102	142.2	168.2	-154.6	0	0	0	0	115.3
2021	G	27.8	Very low	28	Very low	69.3333 Å²	69.3333	118.4 Å²	118.4	72%	0.715	80%	0.802	S	S	*	*			cis	159.5	125	-11.9	0	0	0	0	0	115.4
2022	A	29.6	Very low	28.2	Very low	94 Å²	94	116.9 Å²	116.9	78%	0.777	80%	0.799	S	S	*	*			trans	158.8	149.4	162.4	0	0	0	0	0	114.4	I2511	A2022-I2511 HydrophobicContact CB-CD1 3.74Å
2023	V	27.9	Very low	28.1	Very low	151.333 Å²	151.333	122.3 Å²	122.3	92%	0.917	81%	0.805	S	S	*	*				-134.4	144.2	-80	144	0	0	0	0	110.6
2024	G	28.4	Very low	28.5	Very low	68 Å²	68	124.7 Å²	124.7	70%	0.701	81%	0.808	S	S	*	*			trans	156.4	129.4	174	0	0	0	0	0	113.5
2025	T	30.7	Very low	28.4	Very low	144.667 Å²	144.667	123.1 Å²	123.1	89%	0.888	80%	0.797	S	S	*	*			cis	-146.1	133.5	27.3	51	0	0	0	0	114.1
2026	A	25.1	Very low	28.6	Very low	87.3333 Å²	87.3333	123.7 Å²	123.7	72%	0.722	79%	0.794	S	S	*	*			trans	-112.7	166.7	168.9	0	0	0	0	0	112.3
2027	P	29.1	Very low	28.5	Very low	132.667 Å²	132.667	126 Å²	126	86%	0.861	79%	0.791	S	S	*	*			trans	-105.7	140.6	135.1	34.2	-30.6	0	0	0	111.1
2028	S	26.3	Very low	28.7	Very low	111.667 Å²	111.667	127.3 Å²	127.3	78%	0.781	80%	0.795	S	S	*	*			trans	-169.5	129.1	153.8	-172.6	0	0	0	0	112.4
2029	V	27.9	Very low	28.5	Very low	147.333 Å²	147.333	125.4 Å²	125.4	89%	0.893	79%	0.788	S	S	*	*			trans	-127.1	125.3	165.4	-171.9	0	0	0	0	106.2
2030	G	24.7	Very low	28.8	Very low	60.3333 Å²	60.3333	127.7 Å²	127.7	62%	0.622	79%	0.789	S	S	*	*			cis	135.7	123.6	38.8	0	0	0	0	0	112
2031	V	28.6	Very low	28.9	Very low	140.667 Å²	140.667	127.2 Å²	127.2	85%	0.853	78%	0.783	S	S	*	*				-171.9	117.7	124.2	179	0	0	0	0	111.5
2032	V	28.1	Very low	29.2	Very low	127.333 Å²	127.333	130.4 Å²	130.4	77%	0.772	79%	0.788	S	S	*	*				77.2	137.7	127.9	173.1	0	0	0	0	115.2
2033	R	27.1	Very low	29.2	Very low	221 Å²	221	130.6 Å²	130.6	83%	0.834	78%	0.784	S	S	*	*			trans	-93.9	149.1	165.1	-77.8	-168.5	164.3	149.7	-4.4	113.9
2034	H	31.9	Very low	29.3	Very low	169.333 Å²	169.333	129.3 Å²	129.3	78%	0.784	78%	0.776	S	S	*	*			trans	96.9	152	136.3	-66	96.3	0	0	0	116.4
2035	S	27.9	Very low	29.5	Very low	90 Å²	90	134.9 Å²	134.9	63%	0.629	78%	0.784	S	S	*	*				-159.7	158	-52.7	54.4	0	0	0	0	111.2
2036	R	29.2	Very low	29.4	Very low	208.667 Å²	208.667	133 Å²	133	79%	0.787	78%	0.777	S	S	*	*			trans	114.8	118.2	157.4	-68.7	169.3	-174.9	-84.7	3.7	114.3
2037	Q	27.4	Very low	29.6	Very low	162 Å²	162	135.4 Å²	135.4	76%	0.757	78%	0.782	S	S	*	*				63.4	139.7	98.7	-87.4	174.8	-48.5	0	0	116.2
2038	V	32	Very low	29.6	Very low	134.333 Å²	134.333	134.4 Å²	134.4	81%	0.814	77%	0.774	S	S	*	*				-171.8	150.4	61.5	-172.5	0	0	0	0	114.9
2039	S	27.7	Very low	29.7	Very low	109.333 Å²	109.333	136.7 Å²	136.7	77%	0.765	78%	0.777	S	S	*	*			trans	-48.1	161.9	174.3	-48.1	0	0	0	0	121.2
2040	P	34.3	Very low	29.7	Very low	120.667 Å²	120.667	134.3 Å²	134.3	78%	0.784	77%	0.767	S	S	*	*			trans	-103.2	-178.5	177.2	42.3	-36.4	0	0	0	114.3
2041	P	35.9	Very low	29.8	Very low	122 Å²	122	136.7 Å²	136.7	79%	0.792	77%	0.774	S	S	*	*			trans	-134.5	-166.4	131.6	40.5	-23.4	0	0	0	114.3
2042	V	32.4	Very low	29.8	Very low	135.667 Å²	135.667	135.9 Å²	135.9	82%	0.822	77%	0.769	S	S	*	*			trans	-179.4	152.2	-142.8	169.7	0	0	0	0	111.6
2043	S	30.2	Very low	29.8	Very low	98.3333 Å²	98.3333	138.1 Å²	138.1	69%	0.688	77%	0.771	S	S	*	*			trans	-158	143.3	167.2	-65.8	0	0	0	0	114.1
2044	T	30.5	Very low	29.7	Very low	123 Å²	123	132.7 Å²	132.7	76%	0.755	77%	0.766	S	S	*	*			trans	66.1	122.4	142.8	44.3	0	0	0	0	119.5
2045	Q	32.8	Very low	29.5	Very low	186.667 Å²	186.667	133.5 Å²	133.5	87%	0.872	77%	0.77	S	S	*	*				151.9	152.2	109.5	-85.1	-177.9	26.3	0	0	115.3
2046	S	27.4	Very low	29.5	Very low	105.667 Å²	105.667	134.8 Å²	134.8	74%	0.739	78%	0.775	S	S	*	*			trans	-161	148.4	166	63.2	0	0	0	0	115.8
2047	V	31	Very low	29.3	Very low	136.333 Å²	136.333	131.3 Å²	131.3	83%	0.826	77%	0.772	S	S	*	*			trans	159.9	131.9	136.8	143.1	0	0	0	0	115.1
2048	T	27.7	Very low	29.5	Very low	112.667 Å²	112.667	132 Å²	132	69%	0.691	78%	0.775	S	S	*	*			trans	-59.2	143.7	154.7	-44.4	0	0	0	0	117
2049	L	29.4	Very low	29.2	Very low	159.667 Å²	159.667	131.9 Å²	131.9	84%	0.836	77%	0.774	S	S	*	*			trans	150.2	144	131	-92.6	168	0	0	0	117.6
2050	S	26.5	Very low	29.2	Very low	97.6667 Å²	97.6667	132 Å²	132	68%	0.683	77%	0.772	S	S	*	*			trans	67.6	122.4	155.2	-56.5	0	0	0	0	118.9
2051	S	28.5	Very low	28.9	Very low	109 Å²	109	134.4 Å²	134.4	76%	0.762	77%	0.773	S	S	*	*				128.4	154.6	125.5	62	0	0	0	0	118.2
2052	T	28.3	Very low	28.4	Very low	124 Å²	124	138.9 Å²	138.9	76%	0.761	77%	0.774	S	S	*	*			trans	77.6	124.1	165.6	42.6	0	0	0	0	118.5
2053	Q	28.5	Very low	28.2	Very low	174.333 Å²	174.333	141.4 Å²	141.4	82%	0.815	77%	0.774	S	S	*	*				110.9	120.2	122.1	-143.4	174.2	-28.4	0	0	120.1
2054	C	24.7	Very low	28	Very low	108.333 Å²	108.333	144.2 Å²	144.2	73%	0.732	78%	0.781	S	S	*	*			trans	53	138.9	151.5	-61.5	0	0	0	0	121.2
2055	Q	27.4	Very low	27.7	Very low	184.333 Å²	184.333	143.2 Å²	143.2	86%	0.861	78%	0.779	S	S	*	*			trans	-175.3	147.8	140.7	-81.6	176.2	-7.5	0	0	116.1
2056	T	27.6	Very low	27.5	Very low	118.333 Å²	118.333	141 Å²	141	73%	0.726	78%	0.778	S	S	*	*			trans	-106.6	136.7	167.9	43.1	0	0	0	0	116.9
2057	N	25.7	Very low	27.5	Very low	135 Å²	135	139.5 Å²	139.5	72%	0.722	77%	0.772	S	S	*	*			trans	48.3	114.3	145.4	-57.2	-13.7	0	0	0	119.6
2058	H	30.5	Very low	27.2	Very low	177.333 Å²	177.333	143.3 Å²	143.3	82%	0.821	77%	0.773	S	S	*	*				160.1	142	108.8	-78.9	-64.8	0	0	0	115.2	P2060	H2058-P2060 WeakPolarHBondContact O-CD 3.3Å
2059	V	25.5	Very low	27.1	Very low	132 Å²	132	144.1 Å²	144.1	80%	0.8	78%	0.78	S	S	*	*			trans	-38.4	134.1	155.1	170.9	0	0	0	0	113.2	Q2061	V2059-Q2061 PolarHBondContact O-N 2.92Å
2060	P	29.3	Very low	26.8	Very low	111 Å²	111	140.9 Å²	140.9	72%	0.721	77%	0.771	S	S	*	*				-127.2	150.2	65.9	30.8	-13.6	0	0	0	118	H2058 R2062	H2058-P2060 WeakPolarHBondContact O-CD 3.3Å; P2060-R2062 VanDerWaalsContact C-N 3.31Å; P2060-R2062 PolarHBondContact O-N 3.1Å
2061	Q	27	Very low	26.8	Very low	171.333 Å²	171.333	142.9 Å²	142.9	80%	0.801	78%	0.779	S	S	*	*			trans	6.3	112.5	151	-77.2	-173.7	6.1	0	0	119.4	V2059	V2059-Q2061 PolarHBondContact O-N 2.92Å
2062	R	25.9	Very low	26.6	Very low	216 Å²	216	142.7 Å²	142.7	82%	0.815	78%	0.778	S	S	*	*			trans	167.9	141.6	132.7	-73.3	-177.5	-175.2	-168.5	2.7	114.4	P2060	P2060-R2062 VanDerWaalsContact C-N 3.31Å; P2060-R2062 PolarHBondContact O-N 3.1Å
2063	F	27	Very low	26.4	Very low	189.333 Å²	189.333	144.8 Å²	144.8	83%	0.83	79%	0.785	S	S	*	*				-126.1	156.2	100.5	-76.7	-90.9	0	0	0	111.3
2064	N	27	Very low	26.3	Very low	156 Å²	156	140.6 Å²	140.6	83%	0.834	78%	0.779	S	S	*	*				-173.2	141.4	101	-121	3.5	0	0	0	116.1
2065	S	24.9	Very low	26.2	Very low	102.667 Å²	102.667	138.4 Å²	138.4	72%	0.718	78%	0.775	S	S	*	*			trans	52.3	146.1	173.3	-152.9	0	0	0	0	116.8
2066	V	28	Very low	26.1	Very low	139.667 Å²	139.667	136.7 Å²	136.7	85%	0.846	78%	0.777	S	S	*	*				-135.5	121	120.6	179.1	0	0	0	0	109.4
2067	A	27	Very low	25.9	Very low	74.3333 Å²	74.3333	136.3 Å²	136.3	61%	0.614	78%	0.778	S	S	*	*			trans	39.1	135.9	136.3	0	0	0	0	0	118.3
2068	Y	24.3	Very low	25.7	Very low	215.667 Å²	215.667	135.3 Å²	135.3	85%	0.846	79%	0.789	S	S	*	*			trans	-25.8	149.9	153.9	-69.8	-80.9	0	0	0	116.6	S2070	Y2068-S2070 VanDerWaalsContact C-N 3.3Å; Y2068-S2070 PolarHBondContact O-N 3.08Å; Y2068-S2070 VanDerWaalsContact O-N 3.1Å
2069	P	26.9	Very low	25.4	Very low	129.667 Å²	129.667	131.1 Å²	131.1	84%	0.842	78%	0.784	S	S	*	*			trans	-89	123.7	138	33.5	-30.8	0	0	0	113	V2071	P2069-V2071 PolarHBondContact O-N 2.82Å
2070	S	22.8	Very low	25.5	Very low	92 Å²	92	128.9 Å²	128.9	64%	0.643	78%	0.775	S	S	*	*			trans	-81.5	137.9	175	51.4	0	0	0	0	111.6	Y2068 S2072	Y2068-S2070 VanDerWaalsContact C-N 3.3Å; Y2068-S2070 PolarHBondContact O-N 3.08Å; Y2068-S2070 VanDerWaalsContact O-N 3.1Å; S2070-S2072 PolarHBondContact O-N 3.08Å; S2070-S2072 PolarHBondContact O-OG 3.25Å
2071	V	25.9	Very low	25.4	Very low	139.667 Å²	139.667	129.3 Å²	129.3	85%	0.846	78%	0.775	S	S	*	*			trans	-59.5	117.1	167.6	-143.7	0	0	0	0	111	P2069 N2073	P2069-V2071 PolarHBondContact O-N 2.82Å; V2071-N2073 PolarHBondContact O-N 3.45Å; V2071-N2073 VanDerWaalsContact O-N 3.08Å
2072	S	23.8	Very low	25.6	Very low	106.667 Å²	106.667	125.9 Å²	125.9	75%	0.746	76%	0.762	S	S	*	*			trans	-73.2	116.7	143.8	-62.6	0	0	0	0	114.6	S2070 A2074	S2070-S2072 PolarHBondContact O-N 3.08Å; S2070-S2072 PolarHBondContact O-OG 3.25Å; S2072-A2074 PolarHBondContact O-N 3.1Å
2073	N	24.9	Very low	26	Very low	168 Å²	168	117.5 Å²	117.5	90%	0.898	74%	0.737	S	S	*	*			trans	-71.4	104.4	162.5	-177.9	11.8	0	0	0	109.7	V2071	V2071-N2073 PolarHBondContact O-N 3.45Å; V2071-N2073 VanDerWaalsContact O-N 3.08Å
2074	A	25.4	Very low	26.6	Very low	85 Å²	85	109.7 Å²	109.7	70%	0.702	70%	0.703	S	S	*	*			trans	-134.1	139.8	163.3	0	0	0	0	0	106.9	S2072	S2072-A2074 PolarHBondContact O-N 3.1Å
2075	G	23.2	Very low	27.3	Very low	63 Å²	63	105.7 Å²	105.7	65%	0.649	69%	0.686	S	S	*	*				94	136.6	57.9	0	0	0	0	0	110.4	C2077	G2075-C2077 PolarHBondContact O-N 2.67Å
2076	V	25.1	Very low	28	Very low	148 Å²	148	105.9 Å²	105.9	90%	0.897	68%	0.679	S	S	*	*			trans	-70.2	108.1	140.2	-176.1	0	0	0	0	113.4
2077	C	23	Very low	28.5	Very low	110.667 Å²	110.667	102.9 Å²	102.9	75%	0.748	66%	0.658	S	S	*	*			trans	-78.5	125.1	152.9	-74.2	0	0	0	0	113.9	G2075 A2079	G2075-C2077 PolarHBondContact O-N 2.67Å; C2077-A2079 VanDerWaalsContact C-N 3.3Å; C2077-A2079 HydrophobicContact CB-CB 4.2Å; C2077-A2079 PolarHBondContact O-N 2.81Å
2078	A	23.1	Very low	29.2	Very low	114 Å²	114	100.2 Å²	100.2	94%	0.942	63%	0.633	S	S	*	*			trans	-67.2	112.7	157.8	0	0	0	0	0	109.5
2079	A	24.1	Very low	30	Very low	88 Å²	88	91.4 Å²	91.4	73%	0.727	61%	0.608	S	S	*	*			trans	-129.3	131.9	174.4	0	0	0	0	0	109.9	C2077 V2081	C2077-A2079 VanDerWaalsContact C-N 3.3Å; C2077-A2079 HydrophobicContact CB-CB 4.2Å; C2077-A2079 PolarHBondContact O-N 2.81Å; A2079-V2081 PolarHBondContact O-N 3.1Å
2080	S	26.6	Very low	30.5	Very low	87 Å²	87	93.4 Å²	93.4	61%	0.608	60%	0.599	S	S	*	*			trans	-71.5	139	-176.5	47.2	0	0	0	0	112.5	N2082	S2080-N2082 WeakPolarHBondContact CB-OD1 3.22Å; S2080-N2082 PolarHBondContact O-N 3.21Å; S2080-N2082 PolarHBondContact OG-ND2 3.15Å; S2080-N2082 PolarHBondContact OG-OD1 2.89Å
2081	V	28.1	Very low	31.2	Very low	119.333 Å²	119.333	93.6 Å²	93.6	72%	0.723	59%	0.592	S	S	*	*			trans	-71.4	68.9	179.4	-75.3	0	0	0	0	112.9	N1975 A2079	N1975-V2081 PolarHBondContact ND2-O 2.95Å; A2079-V2081 PolarHBondContact O-N 3.1Å
2082	N	31.2	Very low	31.8	Very low	99.6667 Å²	99.6667	89.7 Å²	89.7	53%	0.533	57%	0.566	S	S	.	*			trans	-103	8.9	-170.3	-65	-4.7	0	0	0	114.4	Q1973 N1975 S2080	Q1973-N2082 VanDerWaalsContact NE2-CG 3.3Å; Q1973-N2082 PolarHBondContact NE2-OD1 2.9Å; Q1973-N2082 PolarHBondContact OE1-OD1 2.73Å; N1975-N2082 VanDerWaalsContact CG-O 3.27Å; N1975-N2082 PolarHBondContact ND2-O 2.94Å; N1975-N2082 PolarHBondContact OD1-O 2.88Å; S2080-N2082 WeakPolarHBondContact CB-OD1 3.22Å; S2080-N2082 PolarHBondContact O-N 3.21Å; S2080-N2082 PolarHBondContact OG-ND2 3.15Å; S2080-N2082 PolarHBondContact OG-OD1 2.89Å
2083	S	33.6	Very low	32.4	Very low	39 Å²	39	88.4 Å²	88.4	27%	0.273	56%	0.558	S	S	.	*			trans	-131.5	128.9	-178.3	134	0	0	0	0	112.7	N1975 P2085 D2086 L2087	N1975-S2083 PolarHBondContact ND2-N 3.49Å; N1975-S2083 VanDerWaalsContact ND2-N 3.1Å; N1975-S2083 VanDerWaalsContact OD1-CA 3.24Å; N1975-S2083 WeakPolarHBondContact OD1-CA 3.47Å; N1975-S2083 PolarHBondContact OD1-N 3.24Å; S2083-P2085 WeakPolarHBondContact OG-CD 3.39Å; S2083-D2086 VanDerWaalsContact CB-OD2 3.24Å; S2083-D2086 WeakPolarHBondContact CB-OD2 3.43Å; S2083-D2086 PolarHBondContact O-N 3.23Å; S2083-D2086 WeakPolarHBondContact OG-CB 3.49Å; S2083-D2086 PolarHBondContact OG-N 3.29Å; S2083-D2086 PolarHBondContact OG-OD2 2.95Å; S2083-L2087 PolarHBondContact O-N 3Å
2084	L	39.6	Very low	32.7	Very low	24.6667 Å²	24.6667	84 Å²	84	13%	0.129	54%	0.54	C	S	.	.	H	α-helix	trans	-67.9	-37.6	172.1	-170.3	86	0	0	0	112.2	N1975 Q1978 L1979 L1982 D2086 L2087 L2088	N1975-L2084 PolarHBondContact OD1-N 2.61Å; Q1978-L2084 HydrophobicContact CB-CD1 3.93Å; Q1978-L2084 HydrophobicContact CB-CD2 3.97Å; Q1978-L2084 HydrophobicContact CB-CG 4.35Å; L1979-L2084 HydrophobicContact CB-CD1 4.43Å; L1979-L2084 HydrophobicContact CD1-CD1 4.06Å; L1982-L2084 HydrophobicContact CD2-CD1 4.43Å; L2084-D2086 VanDerWaalsContact C-N 3.35Å; L2084-D2086 PolarHBondContact O-N 2.95Å; L2084-L2087 HydrophobicContact CD1-CD2 4.43Å; L2084-L2087 PolarHBondContact O-N 3.15Å; L2084-L2087 VanDerWaalsContact O-N 3.16Å; L2084-L2088 HydrophobicContact CD2-CD1 4.07Å; L2084-L2088 HydrophobicContact CD2-CG 4.27Å; L2084-L2088 HydrophobicContact CG-CD1 4.08Å; L2084-L2088 HydrophobicContact CG-CG 4.39Å; L2084-L2088 WeakPolarHBondContact O-CB 3.46Å; L2084-L2088 PolarHBondContact O-N 3.24Å
2085	P	40.9	Very low	32.9	Very low	72 Å²	72	82.3 Å²	82.3	47%	0.468	53%	0.525	S	S	.	.	H	α-helix	trans	-56.3	-38.8	173.1	-29.7	37.2	0	0	0	114.5	S2083 G2089	S2083-P2085 WeakPolarHBondContact OG-CD 3.39Å; P2085-G2089 WeakPolarHBondContact O-CA 3.47Å; P2085-G2089 PolarHBondContact O-N 3.07Å
2086	D	40.1	Very low	33.2	Very low	107 Å²	107	82.4 Å²	82.4	57%	0.572	52%	0.521	S	S	*	.	H	α-helix	trans	-73.2	-35.4	178.2	-63.4	-56.8	0	0	0	112	S2083 L2084 G2089 R2090	S2083-D2086 VanDerWaalsContact CB-OD2 3.24Å; S2083-D2086 WeakPolarHBondContact CB-OD2 3.43Å; S2083-D2086 PolarHBondContact O-N 3.23Å; S2083-D2086 WeakPolarHBondContact OG-CB 3.49Å; S2083-D2086 PolarHBondContact OG-N 3.29Å; S2083-D2086 PolarHBondContact OG-OD2 2.95Å; L2084-D2086 VanDerWaalsContact C-N 3.35Å; L2084-D2086 PolarHBondContact O-N 2.95Å; D2086-G2089 PolarHBondContact O-N 3.01Å; D2086-R2090 WeakPolarHBondContact O-CB 3.34Å; D2086-R2090 WeakPolarHBondContact O-CG 3.42Å; D2086-R2090 PolarHBondContact O-N 3.33Å
2087	L	38.8	Very low	33.4	Very low	76.6667 Å²	76.6667	79 Å²	79	40%	0.401	51%	0.508	S	S	.	.	H	α-helix	trans	-65.4	-46.6	173.6	-170.3	76.8	0	0	0	111.2	L1979 S2083 L2084 R2090 L2091	L1979-L2087 HydrophobicContact CD1-CD2 3.89Å; S2083-L2087 PolarHBondContact O-N 3Å; L2084-L2087 HydrophobicContact CD1-CD2 4.43Å; L2084-L2087 PolarHBondContact O-N 3.15Å; L2084-L2087 VanDerWaalsContact O-N 3.16Å; L2087-R2090 PolarHBondContact O-N 3.19Å; L2087-L2091 HydrophobicContact CG-CD1 4.29Å; L2087-L2091 WeakPolarHBondContact O-CB 3.31Å; L2087-L2091 WeakPolarHBondContact O-CG 3.35Å; L2087-L2091 PolarHBondContact O-N 3.22Å
2088	L	42.7	Very low	33.8	Very low	18 Å²	18	79.5 Å²	79.5	9%	0.094	50%	0.503	C	S	.	.	H	α-helix	trans	-63.4	-42.3	173.8	-80.6	169.2	0	0	0	111.3	L1982 L1999 L2002 L2084 R2090 L2091 L2092	L1982-L2088 HydrophobicContact CD2-CD2 4.1Å; L1999-L2088 HydrophobicContact CD2-CD2 4.1Å; L2002-L2088 HydrophobicContact CB-CD1 4.3Å; L2084-L2088 HydrophobicContact CD2-CD1 4.07Å; L2084-L2088 HydrophobicContact CD2-CG 4.27Å; L2084-L2088 HydrophobicContact CG-CD1 4.08Å; L2084-L2088 HydrophobicContact CG-CG 4.39Å; L2084-L2088 WeakPolarHBondContact O-CB 3.46Å; L2084-L2088 PolarHBondContact O-N 3.24Å; L2088-R2090 VanDerWaalsContact C-N 3.35Å; L2088-R2090 PolarHBondContact O-N 3.02Å; L2088-L2091 PolarHBondContact O-N 2.94Å; L2088-L2092 HydrophobicContact CB-CD1 4.29Å; L2088-L2092 HydrophobicContact CD2-CD1 4.38Å; L2088-L2092 VanDerWaalsContact O-CB 3.27Å; L2088-L2092 WeakPolarHBondContact O-CB 3.36Å; L2088-L2092 WeakPolarHBondContact O-CD1 3.42Å; L2088-L2092 VanDerWaalsContact O-CG 3.23Å; L2088-L2092 WeakPolarHBondContact O-CG 3.43Å; L2088-L2092 PolarHBondContact O-N 3.24Å
2089	G	39.8	Very low	34	Very low	32.3333 Å²	32.3333	77.4 Å²	77.4	33%	0.333	48%	0.482	S	S	.	.	H	α-helix	trans	-57.3	-48.2	175.7	0	0	0	0	0	111.7	P2085 D2086 L2092 S2093	P2085-G2089 WeakPolarHBondContact O-CA 3.47Å; P2085-G2089 PolarHBondContact O-N 3.07Å; D2086-G2089 PolarHBondContact O-N 3.01Å; G2089-L2092 PolarHBondContact O-N 2.95Å; G2089-S2093 VanDerWaalsContact O-CB 3.27Å; G2089-S2093 WeakPolarHBondContact O-CB 3.37Å; G2089-S2093 PolarHBondContact O-N 2.96Å; G2089-S2093 PolarHBondContact O-OG 3.12Å; G2089-S2093 VanDerWaalsContact O-OG 3.11Å
2090	R	38.2	Very low	34.1	Very low	170.333 Å²	170.333	82 Å²	82	64%	0.643	49%	0.488	S	S	*	.	H	α-helix	trans	-65.7	-44	175.3	-72.3	-180	69.7	-170.7	1.1	112.7	D2086 L2087 L2088 L2092 S2093 S2094	D2086-R2090 WeakPolarHBondContact O-CB 3.34Å; D2086-R2090 WeakPolarHBondContact O-CG 3.42Å; D2086-R2090 PolarHBondContact O-N 3.33Å; L2087-R2090 PolarHBondContact O-N 3.19Å; L2088-R2090 VanDerWaalsContact C-N 3.35Å; L2088-R2090 PolarHBondContact O-N 3.02Å; R2090-L2092 VanDerWaalsContact C-N 3.27Å; R2090-L2092 PolarHBondContact O-N 2.97Å; R2090-S2093 PolarHBondContact O-N 2.9Å; R2090-S2094 WeakPolarHBondContact O-CB 3.42Å; R2090-S2094 PolarHBondContact O-N 2.96Å; R2090-S2094 PolarHBondContact O-OG 3.11Å
2091	L	37.8	Very low	34.1	Very low	96.3333 Å²	96.3333	88.5 Å²	88.5	50%	0.504	50%	0.5	S	S	.	.	H	α-helix	trans	-60.5	-42.8	176.3	-84.1	165.1	0	0	0	112.3	L2087 L2088 S2094 A2095	L2087-L2091 HydrophobicContact CG-CD1 4.29Å; L2087-L2091 WeakPolarHBondContact O-CB 3.31Å; L2087-L2091 WeakPolarHBondContact O-CG 3.35Å; L2087-L2091 PolarHBondContact O-N 3.22Å; L2088-L2091 PolarHBondContact O-N 2.94Å; L2091-S2094 PolarHBondContact O-N 3.16Å; L2091-A2095 VanDerWaalsContact O-CB 3.3Å; L2091-A2095 WeakPolarHBondContact O-CB 3.39Å; L2091-A2095 PolarHBondContact O-N 3.16Å
2092	L	38.1	Very low	34	Very low	58 Å²	58	90.2 Å²	90.2	30%	0.304	50%	0.504	S	S	.	.	H	α-helix	trans	-74.2	-33.3	178.6	-72.7	162.1	0	0	0	112.2	L1999 L2003 L2088 G2089 R2090 S2094 A2095 A2096	L1999-L2092 HydrophobicContact CB-CD1 4.48Å; L1999-L2092 HydrophobicContact CB-CD2 4.06Å; L1999-L2092 HydrophobicContact CD1-CD2 3.78Å; L1999-L2092 HydrophobicContact CD2-CD1 4.48Å; L1999-L2092 HydrophobicContact CD2-CD2 4.46Å; L2003-L2092 HydrophobicContact CD1-CD1 3.59Å; L2003-L2092 HydrophobicContact CD1-CD2 3.74Å; L2003-L2092 HydrophobicContact CD1-CG 4.17Å; L2003-L2092 HydrophobicContact CD2-CD1 3.97Å; L2003-L2092 HydrophobicContact CG-CD1 3.54Å; L2088-L2092 HydrophobicContact CB-CD1 4.29Å; L2088-L2092 HydrophobicContact CD2-CD1 4.38Å; L2088-L2092 VanDerWaalsContact O-CB 3.27Å; L2088-L2092 WeakPolarHBondContact O-CB 3.36Å; L2088-L2092 WeakPolarHBondContact O-CD1 3.42Å; L2088-L2092 VanDerWaalsContact O-CG 3.23Å; L2088-L2092 WeakPolarHBondContact O-CG 3.43Å; L2088-L2092 PolarHBondContact O-N 3.24Å; G2089-L2092 PolarHBondContact O-N 2.95Å; R2090-L2092 VanDerWaalsContact C-N 3.27Å; R2090-L2092 PolarHBondContact O-N 2.97Å; L2092-S2094 VanDerWaalsContact C-N 3.31Å; L2092-A2095 PolarHBondContact O-N 3.24Å; L2092-A2096 WeakPolarHBondContact O-CB 3.32Å; L2092-A2096 PolarHBondContact O-N 3.09Å
2093	S	36.7	Very low	33.6	Very low	79.6667 Å²	79.6667	92.4 Å²	92.4	56%	0.557	52%	0.515	S	S	*	.	H	α-helix	trans	-66.4	-40.6	170.5	-65.3	0	0	0	0	112	G2089 R2090 A2096 A2097	G2089-S2093 VanDerWaalsContact O-CB 3.27Å; G2089-S2093 WeakPolarHBondContact O-CB 3.37Å; G2089-S2093 PolarHBondContact O-N 2.96Å; G2089-S2093 PolarHBondContact O-OG 3.12Å; G2089-S2093 VanDerWaalsContact O-OG 3.11Å; R2090-S2093 PolarHBondContact O-N 2.9Å; S2093-A2096 PolarHBondContact O-N 3.09Å; S2093-A2097 WeakPolarHBondContact O-CB 3.4Å; S2093-A2097 PolarHBondContact O-N 3.2Å
2094	S	31.2	Very low	33.3	Very low	74.6667 Å²	74.6667	97.1 Å²	97.1	52%	0.522	54%	0.542	S	S	.	.	H	α-helix	trans	-69.6	-33.5	174.1	-66.6	0	0	0	0	112.8	R2090 L2091 L2092 N2098	R2090-S2094 WeakPolarHBondContact O-CB 3.42Å; R2090-S2094 PolarHBondContact O-N 2.96Å; R2090-S2094 PolarHBondContact O-OG 3.11Å; L2091-S2094 PolarHBondContact O-N 3.16Å; L2092-S2094 VanDerWaalsContact C-N 3.31Å; S2094-N2098 WeakPolarHBondContact O-CB 3.33Å; S2094-N2098 PolarHBondContact O-N 2.83Å; S2094-N2098 VanDerWaalsContact O-N 3.13Å; S2094-N2098 PolarHBondContact O-ND2 3.2Å
2095	A	28.8	Very low	32.6	Very low	49 Å²	49	101.1 Å²	101.1	41%	0.405	57%	0.572	S	S	.	*	H	α-helix	trans	-71.7	-42.3	173.4	0	0	0	0	0	112	L2091 L2092 A2097 N2098 S2099	L2091-A2095 VanDerWaalsContact O-CB 3.3Å; L2091-A2095 WeakPolarHBondContact O-CB 3.39Å; L2091-A2095 PolarHBondContact O-N 3.16Å; L2092-A2095 PolarHBondContact O-N 3.24Å; A2095-A2097 VanDerWaalsContact C-N 3.29Å; A2095-A2097 PolarHBondContact O-N 2.89Å; A2095-N2098 CarbonylContact O-C 3.54Å; A2095-N2098 PolarHBondContact O-N 3.11Å; A2095-S2099 PolarHBondContact O-N 3.04Å; A2095-S2099 VanDerWaalsContact O-N 3.1Å; A2095-S2099 PolarHBondContact O-OG 2.91Å
2096	A	28.5	Very low	31.9	Very low	66.3333 Å²	66.3333	106.1 Å²	106.1	55%	0.548	59%	0.59	S	S	.	*	H	α-helix	trans	-67	-36.8	178.2	0	0	0	0	0	112.7	L2092 S2093 N2098 S2099	L2092-A2096 WeakPolarHBondContact O-CB 3.32Å; L2092-A2096 PolarHBondContact O-N 3.09Å; S2093-A2096 PolarHBondContact O-N 3.09Å; A2096-N2098 PolarHBondContact O-N 3.02Å; A2096-S2099 WeakPolarHBondContact CA-OG 3.45Å; A2096-S2099 VanDerWaalsContact O-CB 3.3Å; A2096-S2099 WeakPolarHBondContact O-CB 3.47Å; A2096-S2099 PolarHBondContact O-N 3.29Å; A2096-S2099 VanDerWaalsContact O-N 3.14Å
2097	A	31.2	Very low	31.2	Very low	76.3333 Å²	76.3333	104.9 Å²	104.9	63%	0.631	59%	0.594	S	S	*	*	H	α-helix	trans	-64	-22.8	172.9	0	0	0	0	0	113.1	S2093 A2095 S2099	S2093-A2097 WeakPolarHBondContact O-CB 3.4Å; S2093-A2097 PolarHBondContact O-N 3.2Å; A2095-A2097 VanDerWaalsContact C-N 3.29Å; A2095-A2097 PolarHBondContact O-N 2.89Å; A2097-S2099 VanDerWaalsContact C-N 3.33Å
2098	N	30	Very low	30.7	Very low	121 Å²	121	108.1 Å²	108.1	65%	0.647	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	10.1	179.5	-63.8	-7.6	0	0	0	113.1	S2094 A2095 A2096 E2100	S2094-N2098 WeakPolarHBondContact O-CB 3.33Å; S2094-N2098 PolarHBondContact O-N 2.83Å; S2094-N2098 VanDerWaalsContact O-N 3.13Å; S2094-N2098 PolarHBondContact O-ND2 3.2Å; A2095-N2098 CarbonylContact O-C 3.54Å; A2095-N2098 PolarHBondContact O-N 3.11Å; A2096-N2098 PolarHBondContact O-N 3.02Å; N2098-E2100 VanDerWaalsContact C-N 3.29Å; N2098-E2100 PolarHBondContact O-N 2.77Å; N2098-E2100 VanDerWaalsContact O-N 3.12Å
2099	S	27.6	Very low	29.9	Very low	71 Å²	71	115.7 Å²	115.7	50%	0.497	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.1	14.1	-170.3	-71.3	0	0	0	0	115.9	A2095 A2096 A2097 W2101 L2102	A2095-S2099 PolarHBondContact O-N 3.04Å; A2095-S2099 VanDerWaalsContact O-N 3.1Å; A2095-S2099 PolarHBondContact O-OG 2.91Å; A2096-S2099 WeakPolarHBondContact CA-OG 3.45Å; A2096-S2099 VanDerWaalsContact O-CB 3.3Å; A2096-S2099 WeakPolarHBondContact O-CB 3.47Å; A2096-S2099 PolarHBondContact O-N 3.29Å; A2096-S2099 VanDerWaalsContact O-N 3.14Å; A2097-S2099 VanDerWaalsContact C-N 3.33Å; S2099-W2101 PolarHBondContact O-N 3.18Å; S2099-L2102 PolarHBondContact O-N 2.98Å
2100	E	26.8	Very low	29.3	Very low	184 Å²	184	124.1 Å²	124.1	86%	0.86	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-5.5	175.9	-60.7	-166.6	149.3	0	0	113.7	N2098 L2102	N2098-E2100 VanDerWaalsContact C-N 3.29Å; N2098-E2100 PolarHBondContact O-N 2.77Å; N2098-E2100 VanDerWaalsContact O-N 3.12Å; E2100-L2102 PolarHBondContact O-N 3.11Å
2101	W	27.2	Very low	28.8	Very low	223.667 Å²	223.667	124.1 Å²	124.1	85%	0.847	67%	0.673	S	S	*	*			trans	-89.8	13.1	-177	-76	83.1	0	0	0	115.9	V1519 S2099	V1519-W2101 HydrophobicContact CB-CZ2 3.9Å; V1519-W2101 HydrophobicContact CG1-CZ2 4.2Å; V1519-W2101 HydrophobicContact CG2-CZ2 3.73Å; S2099-W2101 PolarHBondContact O-N 3.18Å
2102	L	24.8	Very low	28.1	Very low	155.333 Å²	155.333	123 Å²	123	81%	0.813	69%	0.685	S	S	*	*			trans	-122.6	55.3	-179.6	-78.5	174.4	0	0	0	113.9	S2099 E2100	S2099-L2102 PolarHBondContact O-N 2.98Å; E2100-L2102 PolarHBondContact O-N 3.11Å
2103	N	24	Very low	27.6	Very low	144.667 Å²	144.667	128.3 Å²	128.3	77%	0.774	71%	0.712	S	S	*	*			trans	-141.6	92	161.5	-153.4	2.2	0	0	0	114.2
2104	V	27.5	Very low	26.9	Very low	138 Å²	138	133 Å²	133	84%	0.836	73%	0.725	S	S	*	*			trans	-178.8	118.9	146.3	173.3	0	0	0	0	111.1
2105	S	24.3	Very low	26.7	Very low	109 Å²	109	136.9 Å²	136.9	76%	0.762	74%	0.738	S	S	*	*			trans	-89.1	144.5	170.3	-60.4	0	0	0	0	115.4
2106	E	24.8	Very low	26.4	Very low	177.667 Å²	177.667	142.2 Å²	142.2	83%	0.83	75%	0.754	S	S	*	*			trans	-59.9	120.4	169	-145.4	-179.8	174	0	0	114.5	K2109	E2106-K2109 IonicContact OE1-NZ 3.8Å; E2106-K2109 PolarHBondContact OE1-NZ 2.87Å
2107	A	26.1	Very low	26.4	Very low	81.6667 Å²	81.6667	144.6 Å²	144.6	68%	0.675	76%	0.764	S	S	*	*			trans	-151.5	156.1	156.8	0	0	0	0	0	109.1
2108	N	27.7	Very low	26.1	Very low	143 Å²	143	146.5 Å²	146.5	77%	0.765	77%	0.768	S	S	*	*			cis	-179.5	123.7	21.9	-113	-59.4	0	0	0	113.1
2109	K	26.2	Very low	25.7	Very low	178.667 Å²	178.667	150.1 Å²	150.1	78%	0.777	78%	0.778	S	S	*	*			trans	-108.1	130.7	160.1	-71.8	167.7	-176.6	148.9	0	113.8	E2106	E2106-K2109 IonicContact OE1-NZ 3.8Å; E2106-K2109 PolarHBondContact OE1-NZ 2.87Å
2110	R	28.4	Very low	25.6	Very low	208.333 Å²	208.333	153.1 Å²	153.1	79%	0.786	79%	0.793	S	S	*	*				-132.5	153	120.2	-93.3	-170.7	173.5	-128.2	2.9	111.6
2111	Q	26.4	Very low	25.5	Very low	170.333 Å²	170.333	151.7 Å²	151.7	80%	0.796	79%	0.787	S	S	*	*			trans	13.3	127	157.5	-61	160.1	-75.3	0	0	115.9
2112	G	23.7	Very low	25.5	Very low	72.3333 Å²	72.3333	148.2 Å²	148.2	75%	0.746	79%	0.785	S	S	*	*				95.4	123.6	70.9	0	0	0	0	0	113.5
2113	I	26.8	Very low	25.4	Very low	170.667 Å²	170.667	146.8 Å²	146.8	88%	0.875	78%	0.778	S	S	*	*				-157	153.8	113	-90.9	159.1	0	0	0	109	I2115	I2113-I2115 HydrophobicContact CG2-CD1 4.31Å; I2113-I2115 HydrophobicContact CG2-CG1 4.12Å
2114	Q	23.7	Very low	25.5	Very low	176.333 Å²	176.333	147.5 Å²	147.5	82%	0.824	78%	0.781	S	S	*	*			trans	-97.2	135.1	-177.1	-157.3	-178.1	57.9	0	0	112.1
2115	I	26	Very low	25.4	Very low	156.667 Å²	156.667	145.7 Å²	145.7	80%	0.803	78%	0.775	S	S	*	*			trans	-140.6	135	159.8	-56.2	-177.3	0	0	0	109.8	I2113	I2113-I2115 HydrophobicContact CG2-CD1 4.31Å; I2113-I2115 HydrophobicContact CG2-CG1 4.12Å
2116	H	23.8	Very low	25.4	Very low	161.333 Å²	161.333	145.7 Å²	145.7	75%	0.747	78%	0.775	S	S	*	*			trans	-99.4	159.6	173.9	-99.1	-104.9	0	0	0	110.7
2117	P	26.7	Very low	25.4	Very low	115.667 Å²	115.667	143.3 Å²	143.3	75%	0.751	78%	0.776	S	S	*	*			trans	-98.9	150.9	153.2	17.9	-4.8	0	0	0	110.5
2118	T	24.7	Very low	25.4	Very low	117 Å²	117	143.1 Å²	143.1	72%	0.718	78%	0.781	S	S	*	*			trans	-134.7	144.9	148.5	-53.4	0	0	0	0	110.7	V2120	T2118-V2120 HydrophobicContact CG2-CG2 4.29Å
2119	F	22.8	Very low	25.3	Very low	197.333 Å²	197.333	141.3 Å²	141.3	87%	0.865	78%	0.78	S	S	*	*			trans	-58	145.9	169.3	-67.2	-103.4	0	0	0	113.5
2120	V	26	Very low	25.3	Very low	133.333 Å²	133.333	139 Å²	139	81%	0.808	78%	0.781	S	S	*	*				-139	141.3	125.4	-179.5	0	0	0	0	110.4	T2118 N2122	T2118-V2120 HydrophobicContact CG2-CG2 4.29Å; V2120-N2122 HydrophobicContact CG1-CB 4.38Å; V2120-N2122 VanDerWaalsContact CG1-OD1 3.31Å; V2120-N2122 WeakPolarHBondContact CG1-OD1 3.38Å
2121	Q	23.8	Very low	25.1	Very low	155 Å²	155	135.8 Å²	135.8	72%	0.724	78%	0.779	S	S	*	*			trans	-99.6	130.5	-178.2	176	-175.1	10.9	0	0	110.4	N2123	Q2121-N2123 PolarHBondContact NE2-ND2 2.92Å
2122	N	26.8	Very low	25.2	Very low	149.333 Å²	149.333	135.7 Å²	135.7	80%	0.799	78%	0.778	S	S	*	*			trans	-135.7	106.4	165.8	-109.9	-9.9	0	0	0	113.3	V2120 L2124	V2120-N2122 HydrophobicContact CG1-CB 4.38Å; V2120-N2122 VanDerWaalsContact CG1-OD1 3.31Å; V2120-N2122 WeakPolarHBondContact CG1-OD1 3.38Å; N2122-L2124 PolarHBondContact O-N 2.88Å
2123	N	23.3	Very low	25.3	Very low	125.667 Å²	125.667	137.6 Å²	137.6	67%	0.672	77%	0.772	S	S	*	*			trans	-81.6	139.1	166.4	-74.8	-47.2	0	0	0	111.8	Q2121	Q2121-N2123 PolarHBondContact NE2-ND2 2.92Å
2124	L	26.3	Very low	25.3	Very low	160.333 Å²	160.333	137.3 Å²	137.3	84%	0.839	77%	0.767	S	S	*	*			trans	-177.6	128.6	161.6	-79.6	158.3	0	0	0	111.2	N2122	N2122-L2124 PolarHBondContact O-N 2.88Å
2125	S	24.7	Very low	25.5	Very low	100.667 Å²	100.667	137.1 Å²	137.1	70%	0.704	77%	0.766	S	S	*	*			cis	172.4	135.7	7.8	69.9	0	0	0	0	113
2126	S	24.8	Very low	25.5	Very low	108.667 Å²	108.667	134 Å²	134	76%	0.76	76%	0.757	S	S	*	*			trans	83.5	132.7	162.8	-179.3	0	0	0	0	114.9
2127	C	23.7	Very low	25.8	Very low	127.667 Å²	127.667	134 Å²	134	86%	0.863	76%	0.762	S	S	*	*			cis	98.1	141.4	46.5	-117.8	0	0	0	0	115.6
2128	G	26.3	Very low	25.7	Very low	76.3333 Å²	76.3333	134.7 Å²	134.7	79%	0.787	76%	0.76	S	S	*	*			trans	131	120.4	165.2	0	0	0	0	0	115.1
2129	S	26.7	Very low	25.8	Very low	105.333 Å²	105.333	135.5 Å²	135.5	74%	0.737	76%	0.758	S	S	*	*			trans	-104.3	140.4	166.8	55	0	0	0	0	114.6
2130	T	25.3	Very low	26	Very low	131 Å²	131	134 Å²	134	80%	0.804	75%	0.754	S	S	*	*			trans	-101.4	138	150.2	36.5	0	0	0	0	114.9
2131	L	25.4	Very low	25.9	Very low	140.667 Å²	140.667	132.9 Å²	132.9	74%	0.736	75%	0.752	S	S	*	*			trans	69.2	145.1	169	-71.7	78.2	0	0	0	113
2132	E	27.8	Very low	26	Very low	168 Å²	168	130.3 Å²	130.3	79%	0.785	76%	0.757	S	S	*	*			cis	-132.7	142.3	42.8	-88.7	174.7	130	0	0	111.4
2133	N	25.7	Very low	25.8	Very low	112.333 Å²	112.333	129.4 Å²	129.4	60%	0.601	76%	0.757	S	S	*	*				53.7	118.5	114.3	-68.4	-40.4	0	0	0	118.1
2134	Q	26.5	Very low	26	Very low	165 Å²	165	132.6 Å²	132.6	77%	0.771	77%	0.765	S	S	*	*				104.6	156.3	61.3	-94.1	-175.6	87.9	0	0	116.1
2135	E	28.3	Very low	26	Very low	172.667 Å²	172.667	130.3 Å²	130.3	81%	0.807	76%	0.758	S	S	*	*			trans	102.5	132.5	150.3	-69.7	-158.6	95.9	0	0	115.9
2136	S	25.6	Very low	26.2	Very low	89.6667 Å²	89.6667	131.3 Å²	131.3	63%	0.627	76%	0.761	S	S	*	*			cis	155.8	129	8.5	-82.1	0	0	0	0	112
2137	L	30.1	Very low	26.3	Very low	161.333 Å²	161.333	132.2 Å²	132.2	85%	0.845	76%	0.763	S	S	*	*				177.3	141.9	108.3	-82.7	158	0	0	0	112.1
2138	N	26	Very low	26.5	Very low	131.667 Å²	131.667	132.2 Å²	132.2	70%	0.704	76%	0.758	S	S	*	*				-148	155.7	71.6	-168.9	11	0	0	0	107.7
2139	I	25.7	Very low	26.5	Very low	134 Å²	134	137.7 Å²	137.7	69%	0.687	76%	0.764	S	S	*	*			trans	-144.3	138	130.7	-70.4	161.6	0	0	0	112.1
2140	Q	27	Very low	26.7	Very low	165.333 Å²	165.333	136.5 Å²	136.5	77%	0.773	77%	0.768	S	S	*	*			trans	-7.2	127.4	151.5	-71.4	140.1	59.1	0	0	115.3
2141	S	23.5	Very low	26.9	Very low	110.333 Å²	110.333	134.3 Å²	134.3	77%	0.772	77%	0.771	S	S	*	*				76.1	119	60.7	-161.5	0	0	0	0	116.7
2142	A	26.2	Very low	27.1	Very low	99.6667 Å²	99.6667	131 Å²	131	82%	0.824	77%	0.77	S	S	*	*			trans	-153.2	79.3	167.5	0	0	0	0	0	113.7	K2144	A2142-K2144 PolarHBondContact O-N 3.38Å; A2142-K2144 VanDerWaalsContact O-N 3.15Å
2143	V	24	Very low	27.3	Very low	131.667 Å²	131.667	130.4 Å²	130.4	80%	0.798	77%	0.772	S	S	*	*			trans	-70.8	123.7	166.4	176.4	0	0	0	0	110.6
2144	K	26.8	Very low	27.6	Very low	192 Å²	192	132.1 Å²	132.1	84%	0.835	78%	0.779	S	S	*	*			trans	-163.4	127.3	147.8	-114.7	-178.9	-179.9	179.2	0	113.9	A2142	A2142-K2144 PolarHBondContact O-N 3.38Å; A2142-K2144 VanDerWaalsContact O-N 3.15Å
2145	T	25.8	Very low	27.8	Very low	113.333 Å²	113.333	130 Å²	130	70%	0.695	78%	0.777	S	S	*	*			trans	-121.7	157.3	145.9	27.8	0	0	0	0	113.6
2146	P	29.5	Very low	27.9	Very low	120 Å²	120	126.8 Å²	126.8	78%	0.779	77%	0.771	S	S	*	*			trans	-86.5	-175.8	-175.8	37	-36.5	0	0	0	112.7
2147	T	27	Very low	28.1	Very low	128.333 Å²	128.333	131 Å²	131	79%	0.787	78%	0.781	S	S	*	*			trans	-172.6	114.2	171.6	-21.3	0	0	0	0	113.4
2148	V	26.5	Very low	28.2	Very low	127.333 Å²	127.333	128 Å²	128	77%	0.772	77%	0.774	S	S	*	*			trans	51.6	137.6	142.7	173.3	0	0	0	0	115.7
2149	Q	28.2	Very low	28.4	Very low	192.667 Å²	192.667	126.8 Å²	126.8	90%	0.9	78%	0.776	S	S	*	*			trans	175.3	146.4	132.4	-85.5	165.6	-4.3	0	0	114.3
2150	G	29.1	Very low	28.6	Very low	80 Å²	80	129.2 Å²	129.2	83%	0.825	78%	0.784	S	S	*	*			trans	133.7	137	162	0	0	0	0	0	115
2151	G	30.1	Very low	28.9	Very low	84 Å²	84	126.9 Å²	126.9	87%	0.866	78%	0.783	S	S	*	*			trans	110.9	122.5	-169	0	0	0	0	0	112.7
2152	G	30.5	Very low	29	Very low	70.6667 Å²	70.6667	128.4 Å²	128.4	73%	0.729	78%	0.783	S	S	*	*			trans	-177.2	16.2	-159.5	0	0	0	0	0	116.5
2153	I	30.4	Very low	29.2	Very low	157.333 Å²	157.333	131 Å²	131	81%	0.807	78%	0.778	S	S	*	*			trans	60.1	116.8	159.4	-37.7	-179.8	0	0	0	117.9
2154	I	33.7	Very low	29.3	Very low	147 Å²	147	132 Å²	132	75%	0.754	77%	0.774	S	S	*	*				105.7	101.7	118	-55.3	172.7	0	0	0	115.4
2155	T	29	Very low	29.5	Very low	120.667 Å²	120.667	129.9 Å²	129.9	74%	0.74	77%	0.767	S	S	*	*				29.5	147.3	115.2	18.9	0	0	0	0	119.8
2156	P	32.3	Very low	29.6	Very low	105 Å²	105	131.4 Å²	131.4	68%	0.682	77%	0.766	S	S	*	*				-130.8	169	77.5	42.9	-29.8	0	0	0	117.1
2157	Q	29.8	Very low	29.7	Very low	179.333 Å²	179.333	133.2 Å²	133.2	84%	0.838	76%	0.764	S	S	*	*			trans	69	147	145	-86.8	165.4	-34.9	0	0	119.9
2158	S	30.4	Very low	29.6	Very low	97.6667 Å²	97.6667	133.8 Å²	133.8	68%	0.683	76%	0.762	S	S	*	*			cis	154.4	142.3	3.3	55.3	0	0	0	0	114.3
2159	S	31.8	Very low	29.7	Very low	107.333 Å²	107.333	134.3 Å²	134.3	75%	0.751	76%	0.759	S	S	*	*				76.8	133.2	106.4	37.4	0	0	0	0	117.6
2160	Q	30	Very low	29.6	Very low	183.333 Å²	183.333	132.7 Å²	132.7	86%	0.857	75%	0.751	S	S	*	*				16.2	147.7	99.4	-84.8	-163.2	-8.8	0	0	115.6
2161	P	32.5	Very low	29.6	Very low	116.333 Å²	116.333	136 Å²	136	76%	0.755	75%	0.748	S	S	*	*			cis	-147.3	-166.4	32.5	43	-22.7	0	0	0	117.2
2162	N	26.1	Very low	29.6	Very low	142 Å²	142	137.1 Å²	137.1	76%	0.759	74%	0.74	S	S	*	*			trans	-6.1	146.4	161.1	-127.1	-10.4	0	0	0	116.6
2163	Q	28.9	Very low	29.5	Very low	155 Å²	155	139.6 Å²	139.6	72%	0.724	74%	0.741	S	S	*	*			trans	93.8	138.7	141.4	-84.6	-167.9	75.8	0	0	117.4
2164	Q	27.9	Very low	29.5	Very low	152.333 Å²	152.333	139.4 Å²	139.4	71%	0.712	74%	0.737	S	S	*	*				80.3	147.9	121.8	-74.1	-171.2	32.1	0	0	116.9
2165	Q	29.5	Very low	29.4	Very low	148.667 Å²	148.667	139.8 Å²	139.8	70%	0.695	74%	0.735	S	S	*	*			trans	97.8	138.5	137.8	-67.9	-178.2	16.2	0	0	114.8
2166	Q	29.4	Very low	29.4	Very low	144 Å²	144	141.4 Å²	141.4	67%	0.673	74%	0.735	S	S	*	*				72.9	124.8	74	-78.7	175.2	36.8	0	0	115.1
2167	Q	29.8	Very low	29.1	Very low	159 Å²	159	141.7 Å²	141.7	74%	0.743	74%	0.739	S	S	*	*				165.5	147.2	100	-88.3	152.1	55.1	0	0	114.1
2168	L	26.6	Very low	29.1	Very low	139.667 Å²	139.667	138.6 Å²	138.6	73%	0.731	73%	0.733	S	S	*	*				85.4	153.1	67.5	-135.1	68.6	0	0	0	115.4
2169	I	27.3	Very low	29.1	Very low	139.333 Å²	139.333	141.8 Å²	141.8	72%	0.715	74%	0.737	S	S	*	*			trans	78.5	140.4	158.2	-64.1	160.2	0	0	0	117.3
2170	Q	26.7	Very low	29	Very low	158.333 Å²	158.333	143.4 Å²	143.4	74%	0.74	74%	0.736	S	S	*	*			cis	166.1	129.7	-43.1	-146.6	99.5	19.5	0	0	112.9
2171	I	28.4	Very low	29	Very low	149 Å²	149	142.4 Å²	142.4	76%	0.764	73%	0.731	S	S	*	*			trans	-47.2	142.5	157.4	-30.5	167.4	0	0	0	112.3	T2173	I2171-T2173 HydrophobicContact CG2-CG2 3.93Å
2172	P	30.8	Very low	28.8	Very low	107.333 Å²	107.333	141.5 Å²	141.5	70%	0.697	73%	0.727	S	S	*	*			trans	-121.7	120.6	142.1	27.1	-9.7	0	0	0	112.3	H2174	P2172-H2174 PolarHBondContact O-N 2.97Å
2173	T	27.4	Very low	29	Very low	122 Å²	122	141.6 Å²	141.6	75%	0.748	72%	0.723	S	S	*	*			trans	-44.6	106.7	132.5	45.5	0	0	0	0	111.8	I2171	I2171-T2173 HydrophobicContact CG2-CG2 3.93Å
2174	H	30.3	Very low	28.9	Very low	154.667 Å²	154.667	141.2 Å²	141.2	72%	0.716	73%	0.725	S	S	*	*			trans	-149.6	121.3	143.6	-104.9	-105	0	0	0	109.7	P2172	P2172-H2174 PolarHBondContact O-N 2.97Å
2175	Q	32	Very low	29.1	Very low	154.333 Å²	154.333	140.2 Å²	140.2	72%	0.721	72%	0.721	S	S	*	*				90.2	124.1	106	-69.3	-164.7	26.7	0	0	110.2
2176	Q	29.2	Very low	29.1	Very low	154.333 Å²	154.333	140.5 Å²	140.5	72%	0.721	72%	0.722	S	S	*	*			cis	-169.2	126.4	19.3	-92	176.2	4.2	0	0	111.1
2177	S	27.4	Very low	29	Very low	112.333 Å²	112.333	138.2 Å²	138.2	79%	0.786	72%	0.722	S	S	*	*			trans	138.5	138.3	130.8	-62.6	0	0	0	0	111.2
2178	T	29.8	Very low	28.9	Very low	113.333 Å²	113.333	138.7 Å²	138.7	70%	0.695	72%	0.724	S	S	*	*			trans	-160.7	124.6	136	-59.5	0	0	0	0	112	I2180	T2178-I2180 HydrophobicContact CG2-CD1 4.11Å; T2178-I2180 HydrophobicContact CG2-CG1 3.7Å; T2178-I2180 PolarHBondContact O-N 2.88Å
2179	Q	29.9	Very low	28.9	Very low	165.333 Å²	165.333	139.4 Å²	139.4	77%	0.773	73%	0.727	S	S	*	*			trans	-81.1	153.7	155.3	-88.1	172.1	-33.3	0	0	111.8
2180	I	29.8	Very low	28.9	Very low	141.667 Å²	141.667	138.7 Å²	138.7	73%	0.726	73%	0.729	S	S	*	*			trans	168.8	98.3	137.9	-71.1	171	0	0	0	109.5	T2178	T2178-I2180 HydrophobicContact CG2-CD1 4.11Å; T2178-I2180 HydrophobicContact CG2-CG1 3.7Å; T2178-I2180 PolarHBondContact O-N 2.88Å
2181	Q	28.7	Very low	29	Very low	162.333 Å²	162.333	136.4 Å²	136.4	76%	0.759	73%	0.731	S	S	*	*				66.2	119.2	91.4	-166.2	-171.2	21.1	0	0	111.3
2182	S	29	Very low	29	Very low	96 Å²	96	133.7 Å²	133.7	67%	0.671	73%	0.725	S	S	*	*			trans	102.4	143.6	159.2	-60.9	0	0	0	0	114
2183	Q	30.3	Very low	29	Very low	144 Å²	144	136.6 Å²	136.6	67%	0.673	73%	0.729	S	S	*	*			cis	117.3	117.3	38.1	-83.4	-142	63.4	0	0	111.6	Q2185	Q2183-Q2185 VanDerWaalsContact C-N 3.29Å; Q2183-Q2185 PolarHBondContact O-N 2.78Å
2184	L	27.7	Very low	29.1	Very low	147 Å²	147	138.9 Å²	138.9	77%	0.77	73%	0.732	S	S	*	*				34.3	115.7	118.5	-87.6	166.9	0	0	0	113.8
2185	Q	30.9	Very low	28.9	Very low	132.333 Å²	132.333	136.5 Å²	136.5	62%	0.618	73%	0.732	S	S	*	*			trans	93.9	134.8	152.3	-62.7	-171.3	48.2	0	0	116.3	Q2183	Q2183-Q2185 VanDerWaalsContact C-N 3.29Å; Q2183-Q2185 PolarHBondContact O-N 2.78Å
2186	H	29.7	Very low	28.9	Very low	154.333 Å²	154.333	133.7 Å²	133.7	72%	0.715	73%	0.73	S	S	*	*				54.8	112.5	122.1	-67.7	-23.8	0	0	0	116.4
2187	S	27.3	Very low	29	Very low	96 Å²	96	134.6 Å²	134.6	67%	0.671	73%	0.734	S	S	*	*				117.9	143.1	89.6	-71	0	0	0	0	116.1
2188	Q	26.8	Very low	29	Very low	168.333 Å²	168.333	137.1 Å²	137.1	79%	0.787	74%	0.735	S	S	*	*			trans	31.7	144.9	153.3	-61.6	171.5	45.5	0	0	116.5
2189	L	26.7	Very low	29	Very low	154.333 Å²	154.333	139.4 Å²	139.4	81%	0.808	74%	0.738	S	S	*	*				-161.1	141.5	117.8	-89	125	0	0	0	112.2
2190	V	28	Very low	29.1	Very low	124.667 Å²	124.667	137 Å²	137	76%	0.756	74%	0.737	S	S	*	*				55.3	87.4	111.7	-170.2	0	0	0	0	115.2
2191	S	28.6	Very low	29.1	Very low	110 Å²	110	139 Å²	139	77%	0.769	74%	0.743	S	S	*	*			trans	170.8	142.3	131.9	49	0	0	0	0	115.7
2192	S	28.6	Very low	29.3	Very low	92.6667 Å²	92.6667	136.5 Å²	136.5	65%	0.648	74%	0.738	S	S	*	*			trans	-170.4	136.5	145.1	59.3	0	0	0	0	114.9
2193	Q	31.3	Very low	29.4	Very low	167.667 Å²	167.667	139 Å²	139	78%	0.783	74%	0.743	S	S	*	*			trans	97	129.3	145.4	-74.7	164.8	75	0	0	114.3
2194	Q	28.7	Very low	29.5	Very low	171.333 Å²	171.333	138.7 Å²	138.7	80%	0.801	74%	0.742	S	S	*	*			cis	88.7	140.9	49.9	-86.5	-169.1	-6.7	0	0	113.4
2195	S	27.5	Very low	29.7	Very low	104 Å²	104	139.3 Å²	139.3	73%	0.727	74%	0.741	S	S	*	*			trans	162.9	142.9	-174.3	59.9	0	0	0	0	112.9
2196	S	30.7	Very low	29.8	Very low	95.3333 Å²	95.3333	137.6 Å²	137.6	67%	0.667	74%	0.743	S	S	*	*				155.2	140.9	109.8	-74.1	0	0	0	0	112.5
2197	Q	30.9	Very low	29.9	Very low	174 Å²	174	138.6 Å²	138.6	81%	0.813	75%	0.748	S	S	*	*				-147.3	153.6	96.3	-76.5	175.5	61.6	0	0	109.5
2198	M	29	Very low	30	Very low	163.667 Å²	163.667	138 Å²	138	81%	0.806	75%	0.749	S	S	*	*			cis	-145.8	154.1	42.8	-107.3	-168.4	-69.5	0	0	111.7
2199	Q	29.1	Very low	30.3	Very low	162.667 Å²	162.667	135.9 Å²	135.9	76%	0.76	75%	0.748	S	S	*	*			trans	43.8	131.2	141	-71.1	-176.1	-35.3	0	0	116.7
2200	P	32.8	Very low	30.5	Very low	114.333 Å²	114.333	136 Å²	136	74%	0.742	75%	0.748	S	S	*	*				-114.9	167.9	74.4	37.2	-28.1	0	0	0	113
2201	H	27.9	Very low	30.6	Very low	184 Å²	184	134.9 Å²	134.9	85%	0.852	75%	0.745	S	S	*	*			trans	70.7	147	176.2	-90.6	19.7	0	0	0	114.5
2202	V	33.4	Very low	30.7	Very low	110 Å²	110	134.7 Å²	134.7	67%	0.667	74%	0.744	S	S	*	*			cis	-150.5	136	30.1	171.9	0	0	0	0	111.2
2203	L	31.5	Very low	30.9	Very low	147.5 Å²	147.5	135.6 Å²	135.6	77%	0.772	75%	0.746	S	S	*	*			trans	56.3	156.1	161.5	-64.6	169.4	0	0	0	119.4
2204	Q	31.5	Very low	30.9	Very low	139 Å²	139	135.6 Å²	135.6	65%	0.65	75%	0.746	S	S	*	*			cis	-165.4	139.4	-24.1	172.6	161.9	56.3	0	0	110.9
2205	Q	31.8	Very low	31.1	Very low	159 Å²	159	132.5 Å²	132.5	74%	0.743	74%	0.739	S	S	*	*			trans	35.1	142	161.9	-65.1	156.5	-0.4	0	0	118.1
2206	S	33.9	Very low	31.2	Very low	96.5 Å²	96.5	135.9 Å²	135.9	68%	0.675	74%	0.743	S	S	*	*			cis	-158.9	174.7	9	-66.7	0	0	0	0	110.5
2207	H	31.9	Very low	30.9	Very low	175 Å²	175	136.2 Å²	136.2	81%	0.81	74%	0.744	S	S	*	*				-77.2	141.1	75.9	-77.2	-72.4	0	0	0	112.9
2208	A	30.6	Very low	30.8	Very low	84.5 Å²	84.5	136.4 Å²	136.4	70%	0.698	75%	0.745	S	S	*	*			cis	134.3	131.1	27.8	0	0	0	0	0	111.1
2209	T	32.4	Very low	30.9	Very low	124 Å²	124	136.2 Å²	136.2	76%	0.761	74%	0.742	S	S	*	*				-142.7	121.9	110.5	-62.3	0	0	0	0	112.1
2210	I	31.5	Very low	30.9	Very low	156.5 Å²	156.5	136.7 Å²	136.7	80%	0.803	75%	0.745	S	S	*	*			trans	27.4	127.7	144	-33.8	167.4	0	0	0	117.9
2211	S	29.2	Very low	31	Very low	100.5 Å²	100.5	136.8 Å²	136.8	70%	0.703	75%	0.745	S	S	*	*				-151.8	146.9	103.2	-63.1	0	0	0	0	113.8
2212	S	30.5	Very low	31.4	Very low	105.5 Å²	105.5	133.4 Å²	133.4	74%	0.738	74%	0.74	S	S	*	*			trans	61.8	155.1	139	75.4	0	0	0	0	122.6
2213	T	33.4	Very low	31.4	Very low	112.5 Å²	112.5	135.8 Å²	135.8	69%	0.69	74%	0.744	S	S	*	*				146.2	114.6	89.4	29.7	0	0	0	0	116.2
2214	Q	30.8	Very low	31.3	Very low	168 Å²	168	136.5 Å²	136.5	79%	0.785	75%	0.745	S	S	*	*				72.3	123.2	100.3	-142.7	179.5	20.2	0	0	117.7
2215	T	32.5	Very low	31.3	Very low	107 Å²	107	135.5 Å²	135.5	66%	0.656	75%	0.753	S	S	*	*				121.2	129.5	70.7	-40.1	0	0	0	0	116.6
2216	Q	30.6	Very low	31.4	Very low	173.5 Å²	173.5	130.8 Å²	130.8	81%	0.811	75%	0.748	S	S	*	*			trans	112.2	145.5	134	-84	174.5	3.2	0	0	119.5
2217	C	24.6	Very low	31.5	Very low	103.5 Å²	103.5	134.7 Å²	134.7	70%	0.699	76%	0.755	S	S	*	*				89.8	132.9	69.4	-71.7	0	0	0	0	119.1
2218	Q	28.6	Very low	31.5	Very low	176.5 Å²	176.5	132.1 Å²	132.1	83%	0.825	75%	0.746	S	S	*	*			trans	73.1	150.5	153.2	-52.6	-152.7	86.5	0	0	117.2
2219	Q	30.6	Very low	31.9	Very low	160.5 Å²	160.5	134.9 Å²	134.9	75%	0.75	74%	0.744	S	S	*	*			cis	-145.2	156.8	12.2	-98.9	169.1	27.3	0	0	113.1
2220	Q	29.1	Very low	32.1	Very low	173 Å²	173	135.9 Å²	135.9	81%	0.808	74%	0.741	S	S	*	*			trans	-46	129.2	161.9	-124.8	176.1	-32.3	0	0	117.2
2221	P	35.7	Very low	32.2	Very low	116 Å²	116	134.9 Å²	134.9	75%	0.753	74%	0.736	S	S	*	*			trans	-80.4	174.9	162	36.1	-34.8	0	0	0	110.9
2222	P	36.3	Very low	32.4	Very low	113 Å²	113	134.9 Å²	134.9	73%	0.734	73%	0.732	S	S	*	*				-120.7	-171.4	-70	35.6	-22.2	0	0	0	115
2223	Q	32.6	Very low	32.5	Very low	161 Å²	161	137.3 Å²	137.3	75%	0.752	73%	0.731	S	S	*	*			trans	146.9	142.8	133.7	-79.5	-96.9	-31.4	0	0	117.3
2224	M	29.9	Very low	32.5	Very low	161.5 Å²	161.5	138.7 Å²	138.7	80%	0.796	73%	0.734	S	S	*	*			trans	6.2	163.4	166.9	-70.5	-177	-69.1	0	0	118.3
2225	S	30.3	Very low	32.5	Very low	117.5 Å²	117.5	138.4 Å²	138.4	82%	0.822	73%	0.732	S	S	*	*			cis	-173.6	156.6	-23.6	-177.8	0	0	0	0	109.4
2226	G	34.7	Very low	32.6	Very low	61 Å²	61	138.9 Å²	138.9	63%	0.629	74%	0.738	S	S	*	*			trans	130.8	113.5	172.2	0	0	0	0	0	112.4
2227	Q	34.9	Very low	32.6	Very low	179 Å²	179	136 Å²	136	84%	0.836	74%	0.737	S	S	*	*				75.3	130.3	63.8	-72.7	-163.7	12.1	0	0	113.7
2228	I	33.8	Very low	33.1	Very low	119.5 Å²	119.5	135.9 Å²	135.9	61%	0.613	74%	0.735	S	S	*	*			cis	-166.8	159.1	-7	-141.7	174	0	0	0	112
2229	Q	37.5	Very low	33.1	Very low	142.5 Å²	142.5	136.1 Å²	136.1	67%	0.666	74%	0.736	S	S	*	*			trans	72.8	148.3	155.3	-74.2	170.8	23.2	0	0	121.5
2230	Q	36.8	Very low	33.3	Very low	146 Å²	146	133.9 Å²	133.9	68%	0.682	74%	0.735	S	S	*	*				136	143.2	65.9	-95.1	177.8	54.5	0	0	115
2231	L	33.2	Very low	33.4	Very low	135 Å²	135	130.1 Å²	130.1	71%	0.707	73%	0.733	S	S	*	*				134.7	140.8	71.2	-84.7	163.2	0	0	0	116.3
2232	T	34.4	Very low	33.1	Very low	101 Å²	101	132.4 Å²	132.4	62%	0.62	73%	0.734	S	S	*	*				149.5	127.5	61.4	-70.8	0	0	0	0	118.2
2233	Q	31.9	Very low	32.9	Very low	155.5 Å²	155.5	133.6 Å²	133.6	73%	0.727	73%	0.733	S	S	*	*			trans	26.4	148.8	146.9	-62.9	173.9	100.7	0	0	119.8
2234	L	33.5	Very low	32.8	Very low	142 Å²	142	132.7 Å²	132.7	74%	0.743	73%	0.729	S	S	*	*				-178.2	160.7	57.6	-86.9	154.6	0	0	0	108.2
2235	Q	30.8	Very low	32.9	Very low	161 Å²	161	132.2 Å²	132.2	75%	0.752	73%	0.725	S	S	*	*			cis	-164.6	148	-34.6	177.4	173	-27	0	0	106.7
2236	P	35.7	Very low	32.9	Very low	117.5 Å²	117.5	133.1 Å²	133.1	76%	0.763	72%	0.716	S	S	*	*			trans	-106.5	176.5	-169.6	40.3	-34.9	0	0	0	115.1
2237	S	29.3	Very low	32.7	Very low	113.5 Å²	113.5	137.3 Å²	137.3	79%	0.794	72%	0.719	S	S	*	*			trans	147.8	154.3	151	-148.1	0	0	0	0	114.9
2238	P	35.2	Very low	32.6	Very low	102 Å²	102	135.7 Å²	135.7	66%	0.662	71%	0.712	S	S	*	*			trans	-130.1	-166.8	-139.6	44.6	-31.1	0	0	0	115.3
2239	Q	28.6	Very low	32.4	Very low	181 Å²	181	137.1 Å²	137.1	85%	0.846	72%	0.716	S	S	*	*			trans	81	167.8	155.3	-77	-166.8	-28.5	0	0	119.2
2240	P	35.4	Very low	32.1	Very low	113 Å²	113	136.9 Å²	136.9	73%	0.734	72%	0.724	S	S	*	*				-138.9	-177.1	-111.9	44.6	-26.4	0	0	0	116.4
2241	A	31.2	Very low	31.8	Very low	93.5 Å²	93.5	134.3 Å²	134.3	77%	0.773	72%	0.722	S	S	*	*			trans	137.1	145.6	163.8	0	0	0	0	0	110.9
2242	Q	29.4	Very low	31.7	Very low	164.5 Å²	164.5	136 Å²	136	77%	0.769	73%	0.727	S	S	*	*			cis	143.1	157.5	20	-110.5	-166.3	11.2	0	0	112
2243	I	30.9	Very low	31.5	Very low	138.5 Å²	138.5	138.4 Å²	138.4	71%	0.71	73%	0.734	S	S	*	*			trans	71	143.9	158.7	-67.4	158.8	0	0	0	114.7
2244	Q	31	Very low	31.5	Very low	141.5 Å²	141.5	138.3 Å²	138.3	66%	0.661	74%	0.738	S	S	*	*			cis	-162	143.1	-19	-155.4	171.7	-9.2	0	0	109.8
2245	Q	31.7	Very low	31.3	Very low	152 Å²	152	135.6 Å²	135.6	71%	0.71	73%	0.73	S	S	*	*			trans	57.4	162	151.5	-74.8	177.3	15.9	0	0	121
2246	Q	30.8	Very low	31.3	Very low	136.5 Å²	136.5	135 Å²	135	64%	0.638	73%	0.728	S	S	*	*				137.7	125.3	61.2	-170.6	172.5	103.5	0	0	115.1
2247	Q	31.5	Very low	31.3	Very low	148.5 Å²	148.5	135.9 Å²	135.9	69%	0.694	72%	0.724	S	S	*	*			trans	58.4	145.5	156.1	-67.1	172.6	43.3	0	0	117.2
2248	Q	31.4	Very low	31.7	Very low	145.5 Å²	145.5	135.9 Å²	135.9	68%	0.68	72%	0.722	S	S	*	*			cis	138.9	142.4	26.8	-102.8	-177.5	18.4	0	0	113.9
2249	Q	30.1	Very low	31.4	Very low	149.5 Å²	149.5	135.5 Å²	135.5	70%	0.699	72%	0.722	S	S	*	*			trans	40.4	126.6	147.7	-63.5	172.8	12.3	0	0	119.6
2250	T	31.2	Very low	31.4	Very low	138 Å²	138	133.9 Å²	133.9	85%	0.847	72%	0.718	S	S	*	*			trans	141.7	140.7	136.4	17.1	0	0	0	0	113.5
2251	S	30.2	Very low	31.1	Very low	91.5 Å²	91.5	135.7 Å²	135.7	64%	0.64	72%	0.716	S	S	*	*				-124.9	152.2	-88.4	-89.6	0	0	0	0	112.1
2252	Q	30.8	Very low	30.9	Very low	170.5 Å²	170.5	136.8 Å²	136.8	80%	0.797	71%	0.708	S	S	*	*			trans	10	159.1	149.3	-53.1	176.5	50.9	0	0	117.4
2253	I	30.4	Very low	30.9	Very low	150 Å²	150	136.3 Å²	136.3	77%	0.769	71%	0.706	S	S	*	*			trans	141	126.2	139.7	-88.9	146.9	0	0	0	112.8
2254	L	31.7	Very low	30.9	Very low	155 Å²	155	136.6 Å²	136.6	81%	0.812	70%	0.704	S	S	*	*			trans	121.8	101.8	141.9	-129.4	53	0	0	0	113.3
2255	S	29.7	Very low	30.9	Very low	84 Å²	84	137.3 Å²	137.3	59%	0.587	71%	0.707	S	S	*	*				162.6	161.7	112.3	68.2	0	0	0	0	113
2256	Q	31.9	Very low	30.8	Very low	150 Å²	150	136 Å²	136	70%	0.701	71%	0.71	S	S	*	*			trans	76.4	148.7	171.8	-53.2	160.5	97.3	0	0	114.1
2257	I	34.4	Very low	30.9	Very low	135 Å²	135	134.5 Å²	134.5	69%	0.692	71%	0.713	S	S	*	*			cis	-139.1	145.7	-2.9	-91.3	120	0	0	0	108.4
2258	P	37.3	Very low	30.7	Very low	114.5 Å²	114.5	133.3 Å²	133.3	74%	0.744	72%	0.715	S	S	*	*			trans	-95	148.3	167.4	35.8	-31.5	0	0	0	112.8
2259	S	29.1	Very low	30.7	Very low	93.5 Å²	93.5	132.8 Å²	132.8	65%	0.654	72%	0.722	S	S	*	*			trans	148.5	140.3	168.3	-64.1	0	0	0	0	114.5
2260	L	28.7	Very low	30.7	Very low	147 Å²	147	132.6 Å²	132.6	77%	0.77	73%	0.726	S	S	*	*			trans	68.4	137.6	133.3	-55.4	176.5	0	0	0	113.9
2261	Q	28.6	Very low	30.9	Very low	150 Å²	150	130.3 Å²	130.3	70%	0.701	71%	0.713	S	S	*	*			cis	-166.5	-179	-6	-136.4	175.8	5.8	0	0	109.3
2262	I	28.8	Very low	30.7	Very low	117.5 Å²	117.5	133.3 Å²	133.3	60%	0.603	72%	0.717	S	S	*	*			trans	62.5	108.4	148.4	-71.2	161.5	0	0	0	116.9
2263	Q	28.2	Very low	30.6	Very low	153 Å²	153	131.1 Å²	131.1	72%	0.715	71%	0.71	S	S	*	*				75.8	120	72.4	160.5	-172.6	78.9	0	0	114.1
2264	Q	30.9	Very low	30.6	Very low	145.5 Å²	145.5	131 Å²	131	68%	0.68	71%	0.706	S	S	*	*			trans	127.4	147.3	150.7	-83	166	117.4	0	0	115.5
2265	Q	32.1	Very low	30.5	Very low	155.5 Å²	155.5	128.9 Å²	128.9	73%	0.727	70%	0.7	S	S	*	*				134.8	124.8	67.6	-94.7	165.1	21.8	0	0	117.1
2266	T	28.9	Very low	30.4	Very low	126 Å²	126	131.8 Å²	131.8	77%	0.773	70%	0.704	S	S	*	*			trans	-35.7	170	135.3	41	0	0	0	0	116.1
2267	P	33.5	Very low	30.6	Very low	105 Å²	105	133.5 Å²	133.5	68%	0.682	71%	0.712	S	S	*	*			cis	-137.9	-165.6	-2.7	37.7	-17.3	0	0	0	114.5
2268	T	26.2	Very low	30.5	Very low	122.5 Å²	122.5	133.1 Å²	133.1	75%	0.752	71%	0.71	S	S	*	*			trans	31.7	153	153.7	50.6	0	0	0	0	118.7
2269	V	32.4	Very low	30.2	Very low	134.5 Å²	134.5	135 Å²	135	82%	0.815	71%	0.708	S	S	*	*				-150.7	144.7	67.8	160.1	0	0	0	0	112.5
2270	N	30.8	Very low	30.5	Very low	146.5 Å²	146.5	138.2 Å²	138.2	78%	0.783	71%	0.712	S	S	*	*			trans	-102.6	147.3	172.4	-171.4	15.5	0	0	0	109.3
2271	P	34.4	Very low	30.6	Very low	89.5 Å²	89.5	138.9 Å²	138.9	58%	0.581	71%	0.712	S	S	*	*				-130.1	176	75	37.4	-19.9	0	0	0	112.6
2272	Q	26.8	Very low	30.9	Very low	155 Å²	155	140.4 Å²	140.4	72%	0.724	72%	0.719	S	S	*	*				132.1	146.2	68.6	-105.2	-178	-38	0	0	115.1
2273	I	27.7	Very low	30.9	Very low	124.5 Å²	124.5	138.9 Å²	138.9	64%	0.638	72%	0.724	S	S	*	*			trans	67	131.1	142.8	-68.6	169.6	0	0	0	115.9
2274	Q	30.6	Very low	31	Very low	147 Å²	147	136.9 Å²	136.9	69%	0.687	73%	0.727	S	S	*	*			cis	153.9	127.1	31	-162.7	163.9	13.7	0	0	112.7	H2276	Q2274-H2276 PolarHBondContact NE2-NE2 3.1Å
2275	T	28.7	Very low	31.2	Very low	111.5 Å²	111.5	136 Å²	136	68%	0.684	73%	0.731	S	S	*	*			trans	-112.5	135.4	143.8	37.9	0	0	0	0	112.6
2276	H	29.1	Very low	31	Very low	144.5 Å²	144.5	135.5 Å²	135.5	67%	0.669	73%	0.732	S	S	*	*				78.1	112.8	108.4	-58.3	-22.1	0	0	0	117.7	Q2274	Q2274-H2276 PolarHBondContact NE2-NE2 3.1Å
2277	Q	34.7	Very low	31.2	Very low	186 Å²	186	134.6 Å²	134.6	87%	0.869	73%	0.728	S	S	*	*			trans	171.9	124.7	139.8	-97	172.3	103.2	0	0	106.1
2278	I	32.5	Very low	30.8	Very low	127 Å²	127	136.4 Å²	136.4	65%	0.651	73%	0.732	S	S	*	*			cis	132.6	143.2	16.1	-27.6	173.8	0	0	0	111.1
2279	H	32.6	Very low	30.8	Very low	152.5 Å²	152.5	137.8 Å²	137.8	71%	0.706	73%	0.729	S	S	*	*			trans	93.2	103.2	161.8	-74	103.4	0	0	0	120.1
2280	Q	34.3	Very low	30.7	Very low	161 Å²	161	138.7 Å²	138.7	75%	0.752	73%	0.725	S	S	*	*				85.9	122.4	126.1	-77.3	-174	71.5	0	0	121
2281	Q	31.3	Very low	30.6	Very low	162 Å²	162	139.4 Å²	139.4	76%	0.757	72%	0.723	S	S	*	*			trans	-3.8	148.9	150.7	-59.5	170.9	41.2	0	0	113.2
2282	Q	33.7	Very low	30.2	Very low	181 Å²	181	139.6 Å²	139.6	85%	0.846	73%	0.727	S	S	*	*				-157.7	163.7	58.8	-103	165.5	22.6	0	0	109.6
2283	A	29	Very low	30.3	Very low	86 Å²	86	136.9 Å²	136.9	71%	0.711	73%	0.725	S	S	*	*				-153.5	150.9	-104.2	0	0	0	0	0	109.4
2284	S	31.4	Very low	30.4	Very low	111.5 Å²	111.5	139.3 Å²	139.3	78%	0.78	73%	0.734	S	S	*	*			trans	176.6	132.1	142	-84.1	0	0	0	0	114.1
2285	V	34	Very low	30.3	Very low	127 Å²	127	136.8 Å²	136.8	77%	0.77	73%	0.733	S	S	*	*			trans	59.1	107.6	139.4	-178.1	0	0	0	0	117.3
2286	I	29.5	Very low	30.4	Very low	145 Å²	145	139.2 Å²	139.2	74%	0.744	74%	0.736	S	S	*	*			cis	64.4	132	39.3	-59.4	175.2	0	0	0	111.8
2287	P	32.3	Very low	30.3	Very low	107 Å²	107	137.7 Å²	137.7	70%	0.695	74%	0.737	S	S	*	*			cis	-142.6	-176.9	2	32.8	-8.7	0	0	0	117.1
2288	L	25.1	Very low	30	Very low	143 Å²	143	135.2 Å²	135.2	75%	0.749	73%	0.729	S	S	*	*			trans	24.4	134.6	137.8	-85.1	118.9	0	0	0	123.6
2289	Q	26.8	Very low	29.8	Very low	151.5 Å²	151.5	136.4 Å²	136.4	71%	0.708	73%	0.732	S	S	*	*				80.1	133.8	127.6	-151.5	-171.6	86.3	0	0	121
2290	Q	29.7	Very low	29.5	Very low	154.5 Å²	154.5	134.8 Å²	134.8	72%	0.722	73%	0.733	S	S	*	*			trans	116.7	128.2	147.6	-83.2	167.4	74.7	0	0	113.7
2291	Q	28.2	Very low	29.3	Very low	160 Å²	160	131.4 Å²	131.4	75%	0.748	73%	0.727	S	S	*	*			cis	122.1	139.2	46.9	-138.5	173.3	-58.6	0	0	113.4
2292	S	25.7	Very low	29.3	Very low	94 Å²	94	131 Å²	131	66%	0.657	73%	0.725	S	S	*	*			trans	36	144.5	150.3	67.1	0	0	0	0	119
2293	S	29.7	Very low	29.2	Very low	98 Å²	98	129 Å²	129	69%	0.685	72%	0.715	S	S	*	*				134.6	137.1	111	-48.6	0	0	0	0	115.4
2294	Q	28.7	Very low	29.4	Very low	175.5 Å²	175.5	132.5 Å²	132.5	82%	0.82	72%	0.717	S	S	*	*				51.6	134.5	93.6	-62.5	-172.8	14.6	0	0	116.5
2295	S	29.7	Very low	29.4	Very low	94.5 Å²	94.5	131 Å²	131	66%	0.661	71%	0.706	S	S	*	*				137	127.1	114.3	-66.6	0	0	0	0	115.1
2296	Q	30	Very low	29.4	Very low	162.5 Å²	162.5	132.8 Å²	132.8	76%	0.759	71%	0.707	S	S	*	*				78.8	127.6	90.1	-77.9	-176.2	39.3	0	0	113.9
2297	T	28.2	Very low	29.6	Very low	112 Å²	112	130.8 Å²	130.8	69%	0.687	70%	0.701	S	S	*	*				139.3	134.9	80.5	40	0	0	0	0	115.1
2298	L	27.1	Very low	29.6	Very low	133 Å²	133	133.2 Å²	133.2	70%	0.696	70%	0.703	S	S	*	*				71.3	129.5	98.2	-76.4	113.9	0	0	0	116.9
2299	Q	28.7	Very low	30	Very low	153 Å²	153	133 Å²	133	72%	0.715	70%	0.698	S	S	*	*				142.1	130.2	63.6	-89.7	166.3	-24.1	0	0	114.4
2300	T	27.1	Very low	30.3	Very low	118 Å²	118	133.6 Å²	133.6	72%	0.724	70%	0.701	S	S	*	*				52.4	154	112	70.7	0	0	0	0	116.4
2301	S	29.9	Very low	30.5	Very low	89.5 Å²	89.5	131.2 Å²	131.2	63%	0.626	70%	0.701	S	S	*	*				146.6	128.5	99	-70.5	0	0	0	0	112.2
2302	Q	30.6	Very low	30.6	Very low	153.5 Å²	153.5	128.3 Å²	128.3	72%	0.717	70%	0.699	S	S	*	*				66.6	138.5	92.8	-66.6	-168	74	0	0	114.7
2303	Q	31.8	Very low	30.8	Very low	139.5 Å²	139.5	131.2 Å²	131.2	65%	0.652	71%	0.707	S	S	*	*				131.3	152.2	91.4	-102.6	169.1	51.4	0	0	113.2
2304	Q	32.8	Very low	30.9	Very low	160 Å²	160	134.7 Å²	134.7	75%	0.748	71%	0.712	S	S	*	*				130.4	158.9	61.7	-95.5	173.8	21.3	0	0	113.6
2305	S	32.9	Very low	31.1	Very low	79 Å²	79	131.2 Å²	131.2	55%	0.552	71%	0.705	S	S	*	*				136.7	138.4	80.7	-93.3	0	0	0	0	115
2306	Q	33.2	Very low	31.1	Very low	166.5 Å²	166.5	135 Å²	135	78%	0.778	71%	0.712	S	S	*	*				70.3	139.1	124.7	-61.1	175	58.9	0	0	116.5
2307	T	33.1	Very low	31.1	Very low	101.5 Å²	101.5	134.1 Å²	134.1	62%	0.623	71%	0.711	S	S	*	*			cis	-163.2	147.1	0	10.9	0	0	0	0	111.5
2308	H	32.8	Very low	31.2	Very low	159 Å²	159	134.4 Å²	134.4	74%	0.736	71%	0.712	S	S	*	*			trans	65.8	144.1	150.1	-69.7	20.7	0	0	0	118.2
2309	Q	33.9	Very low	31.3	Very low	137 Å²	137	136.2 Å²	136.2	64%	0.64	72%	0.717	S	S	*	*			cis	-154.7	148.5	-1.9	-119.9	176	120.5	0	0	110.4
2310	Q	33.3	Very low	31.5	Very low	164.5 Å²	164.5	133.7 Å²	133.7	77%	0.769	71%	0.714	S	S	*	*			trans	44.3	130.1	147	-66.7	172.2	7.3	0	0	120.4
2311	S	32.6	Very low	31.6	Very low	104 Å²	104	135.1 Å²	135.1	73%	0.727	72%	0.716	S	S	*	*			cis	-159	148.4	1.5	-118.6	0	0	0	0	112.2
2312	S	30.7	Very low	31.6	Very low	100.5 Å²	100.5	137.1 Å²	137.1	70%	0.703	72%	0.724	S	S	*	*			trans	60.2	122.4	157.7	66.6	0	0	0	0	120.1
2313	N	31.2	Very low	31.5	Very low	154.5 Å²	154.5	133.1 Å²	133.1	83%	0.826	73%	0.725	S	S	*	*				81.6	115.1	112.5	-64.9	-2.1	0	0	0	117.1
2314	Q	30.2	Very low	31.4	Very low	171.5 Å²	171.5	134.8 Å²	134.8	80%	0.801	73%	0.732	S	S	*	*				-127.2	153.7	70.4	-135.3	179.9	-6.3	0	0	111.1
2315	P	33.4	Very low	31.2	Very low	101.5 Å²	101.5	136 Å²	136	66%	0.659	74%	0.738	S	S	*	*				-117.2	159.2	-108.5	35.3	-23.4	0	0	0	113.8
2316	H	30.2	Very low	30.9	Very low	175 Å²	175	141.1 Å²	141.1	81%	0.81	75%	0.753	S	S	*	*			trans	81.4	113.5	164.2	-72.6	-82.1	0	0	0	118
2317	I	28.7	Very low	30.5	Very low	144 Å²	144	139.5 Å²	139.5	74%	0.738	75%	0.754	S	S	*	*				165.7	125.5	107.7	-75.3	172.2	0	0	0	110.7
2318	T	31.1	Very low	30.2	Very low	117 Å²	117	142.1 Å²	142.1	72%	0.718	76%	0.759	S	S	*	*			trans	97.9	100.8	141.2	-56	0	0	0	0	114
2319	Q	30.1	Very low	29.9	Very low	171.5 Å²	171.5	144.1 Å²	144.1	80%	0.801	76%	0.762	S	S	*	*				59.6	163.3	116.2	-65.4	-165.6	25	0	0	116.9
2320	P	32.3	Very low	29.5	Very low	100 Å²	100	143.2 Å²	143.2	65%	0.649	77%	0.766	S	S	*	*			cis	-133.6	178.7	0.3	30.1	-9.1	0	0	0	116.9
2321	I	28.6	Very low	29.2	Very low	147 Å²	147	140.8 Å²	140.8	75%	0.754	77%	0.767	S	S	*	*			trans	81.5	114.6	149	-77	158.7	0	0	0	121.2
2322	T	30.8	Very low	28.9	Very low	131.5 Å²	131.5	144.4 Å²	144.4	81%	0.807	77%	0.772	S	S	*	*			trans	43.8	132.8	153.8	55.9	0	0	0	0	122.3
2323	G	28.9	Very low	28.8	Very low	70.5 Å²	70.5	148.3 Å²	148.3	73%	0.727	78%	0.78	S	S	*	*				131.3	119.4	89.7	0	0	0	0	0	112.2
2324	H	29	Very low	28.4	Very low	175 Å²	175	152.4 Å²	152.4	81%	0.81	78%	0.784	S	S	*	*				-117	142.2	104.5	-71.8	-104.2	0	0	0	114.6
2325	Q	29.2	Very low	28.3	Very low	184.5 Å²	184.5	153 Å²	153	86%	0.862	79%	0.786	S	S	*	*			trans	124	129.4	131.1	-88.3	173.7	104.2	0	0	117.8
2326	Q	25	Very low	27.9	Very low	187.5 Å²	187.5	156.3 Å²	156.3	88%	0.876	79%	0.793	S	S	*	*			trans	-105.9	161.2	144.7	-67	178.7	-38.5	0	0	109.2
2327	V	25.7	Very low	27.8	Very low	132.5 Å²	132.5	153.6 Å²	153.6	80%	0.803	79%	0.791	S	S	*	*			trans	148.8	135.4	158.9	178	0	0	0	0	111	Y2329	V2327-Y2329 HydrophobicContact CG1-CD2 4.4Å
2328	Q	25.8	Very low	27.8	Very low	155.5 Å²	155.5	155 Å²	155	73%	0.727	80%	0.795	S	S	*	*				-126.9	143.3	-96.6	-152.2	-179.5	3.8	0	0	111.1
2329	Y	27.1	Very low	27.7	Very low	202 Å²	202	158.3 Å²	158.3	79%	0.792	80%	0.801	S	S	*	*			trans	137.6	130.4	149.3	-85.7	-58.4	0	0	0	119.6	V2327	V2327-Y2329 HydrophobicContact CG1-CD2 4.4Å
2330	T	26.1	Very low	27.5	Very low	117 Å²	117	155.6 Å²	155.6	72%	0.718	80%	0.802	S	S	*	*			trans	-10.9	130.6	154.7	54	0	0	0	0	118.1
2331	S	26.4	Very low	27.1	Very low	115 Å²	115	159 Å²	159	80%	0.804	81%	0.813	S	S	*	*			trans	135.8	112.3	141.9	-68.9	0	0	0	0	115.8
2332	Q	27.4	Very low	27	Very low	178 Å²	178	159.4 Å²	159.4	83%	0.832	82%	0.817	S	S	*	*			trans	-114.3	123.6	151.7	-68.1	-110.7	31.9	0	0	108.5
2333	Q	27	Very low	26.7	Very low	184 Å²	184	159.5 Å²	159.5	86%	0.86	82%	0.817	S	S	*	*				147.1	140	126	-84	-162.6	-19.2	0	0	113.3
2334	W	22.8	Very low	26.6	Very low	239.5 Å²	239.5	162.5 Å²	162.5	91%	0.907	81%	0.814	S	S	*	*			trans	-71.6	137.8	-172.8	-76.9	72.6	0	0	0	113.2
2335	Q	28.7	Very low	26.5	Very low	184 Å²	184	159.2 Å²	159.2	86%	0.86	81%	0.808	S	S	*	*			trans	-145.4	129.6	152.4	-89.1	161.8	38.9	0	0	109.4	P2337	Q2335-P2337 WeakPolarHBondContact O-CD 3.33Å
2336	Q	25.3	Very low	26.4	Very low	172 Å²	172	159.3 Å²	159.3	80%	0.804	81%	0.805	S	S	*	*			trans	-90.9	122.5	177.4	-121.8	-177.3	6	0	0	109.5
2337	P	28.6	Very low	26.6	Very low	117.5 Å²	117.5	156.8 Å²	156.8	76%	0.763	80%	0.798	S	S	*	*			trans	-94	118.3	166.8	5.1	14.7	0	0	0	110.1	Q2335 H2339	Q2335-P2337 WeakPolarHBondContact O-CD 3.33Å; P2337-H2339 PolarHBondContact O-N 3.24Å
2338	Q	27.8	Very low	26.6	Very low	174 Å²	174	155 Å²	155	81%	0.813	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-76.9	131	169.6	-76	-164.9	-4.5	0	0	111.3
2339	H	29.4	Very low	26.7	Very low	186 Å²	186	152 Å²	152	86%	0.861	79%	0.787	S	S	*	*			trans	-100.2	137.3	171.6	-65.1	-75.1	0	0	0	112.5	P2337	P2337-H2339 PolarHBondContact O-N 3.24Å
2340	S	25.8	Very low	26.7	Very low	115 Å²	115	148.2 Å²	148.2	80%	0.804	79%	0.787	S	S	*	*			trans	-122.9	136.2	172.5	-62.6	0	0	0	0	111.7	N2342	S2340-N2342 PolarHBondContact O-N 3Å
2341	L	23.9	Very low	26.9	Very low	170.5 Å²	170.5	149.3 Å²	149.3	89%	0.893	79%	0.788	S	S	*	*			trans	-2	105.4	168	-71.8	159	0	0	0	115.4
2342	N	26.2	Very low	27	Very low	155 Å²	155	149.3 Å²	149.3	83%	0.829	79%	0.785	S	S	*	*			trans	130.3	50.3	145	-155.3	16.2	0	0	0	118.7	S2340	S2340-N2342 PolarHBondContact O-N 3Å
2343	V	25.5	Very low	27	Very low	134.5 Å²	134.5	147.3 Å²	147.3	82%	0.815	79%	0.785	S	S	*	*			trans	-132.8	100.2	166.4	-169.4	0	0	0	0	111.4
2344	M	25.8	Very low	27.1	Very low	134 Å²	134	149 Å²	149	66%	0.66	78%	0.784	S	S	*	*			trans	-80.1	125.5	163.3	177.3	154.4	57.8	0	0	109.2	K2346 V2699	M2344-K2346 PolarHBondContact O-N 3.06Å; M2344-K2346 VanDerWaalsContact O-N 3.07Å; M2344-V2699 HydrophobicContact CE-CB 4.42Å; M2344-V2699 HydrophobicContact CE-CG1 4.01Å; M2344-V2699 HydrophobicContact SD-CB 3.67Å; M2344-V2699 HydrophobicContact SD-CG1 3.57Å; M2344-V2699 VanDerWaalsContact SD-CG1 3.57Å; M2344-V2699 HydrophobicContact SD-CG2 4.49Å
2345	P	26.4	Very low	27.3	Very low	105.5 Å²	105.5	143.6 Å²	143.6	69%	0.685	77%	0.772	S	S	*	*			trans	-62.8	112.4	177.6	-22.1	33.6	0	0	0	110.8	L2347	P2345-L2347 PolarHBondContact O-N 3.25Å
2346	K	27.8	Very low	27.3	Very low	186 Å²	186	146.2 Å²	146.2	81%	0.809	77%	0.774	S	S	*	*			trans	-75.3	93.8	175	-121.9	-175.8	-176.8	-177.9	0	108.8	M2344 S2348	M2344-K2346 PolarHBondContact O-N 3.06Å; M2344-K2346 VanDerWaalsContact O-N 3.07Å; K2346-S2348 VanDerWaalsContact C-N 3.34Å; K2346-S2348 WeakPolarHBondContact O-CB 3.39Å; K2346-S2348 PolarHBondContact O-N 3.25Å; K2346-S2348 PolarHBondContact O-OG 3Å
2347	L	28.4	Very low	27.5	Very low	136 Å²	136	145.9 Å²	145.9	71%	0.712	78%	0.778	S	S	*	*			trans	-61.8	89.4	168.9	-72.5	172.3	0	0	0	109.3	P2345 E2375	P2345-L2347 PolarHBondContact O-N 3.25Å; L2347-E2375 WeakPolarHBondContact CD2-OE1 3.42Å; L2347-E2375 WeakPolarHBondContact CD2-OE2 3.47Å
2348	S	26	Very low	27.5	Very low	93.5 Å²	93.5	148.5 Å²	148.5	65%	0.654	78%	0.78	S	S	*	*			trans	-123.5	46.4	-171.2	-58.6	0	0	0	0	111.1	K2346	K2346-S2348 VanDerWaalsContact C-N 3.34Å; K2346-S2348 WeakPolarHBondContact O-CB 3.39Å; K2346-S2348 PolarHBondContact O-N 3.25Å; K2346-S2348 PolarHBondContact O-OG 3Å
2349	S	29	Very low	27.4	Very low	92 Å²	92	148.7 Å²	148.7	64%	0.643	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-98	121.9	169.3	49	0	0	0	0	109.5	L2351	S2349-L2351 PolarHBondContact O-N 2.82Å
2350	P	26.4	Very low	27.3	Very low	123.5 Å²	123.5	146.7 Å²	146.7	80%	0.802	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-70.4	130.4	-178.7	28.2	-33.7	0	0	0	110.9
2351	L	30.6	Very low	27.5	Very low	140.5 Å²	140.5	144.3 Å²	144.3	74%	0.736	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-64.5	130.1	170.2	-169.3	75.2	0	0	0	108.8	S2349 T2353	S2349-L2351 PolarHBondContact O-N 2.82Å; L2351-T2353 PolarHBondContact O-N 3.06Å
2352	P	27.6	Very low	27.9	Very low	114 Å²	114	142 Å²	142	74%	0.74	75%	0.747	S	S	*	*			trans	-70.6	95.3	-180	27.8	-34.1	0	0	0	110.7	R2354	P2352-R2354 PolarHBondContact O-N 3.06Å
2353	T	27.2	Very low	28.3	Very low	137 Å²	137	138.8 Å²	138.8	84%	0.84	74%	0.737	S	S	*	*			trans	-70.7	89.7	172.6	50.9	0	0	0	0	110.1	L2351	L2351-T2353 PolarHBondContact O-N 3.06Å
2354	R	29.1	Very low	28.7	Very low	218.5 Å²	218.5	137.1 Å²	137.1	83%	0.825	72%	0.724	S	S	*	*			trans	-143.6	118.3	170	-145.9	168.7	-164.3	158.5	6.4	112.3	P2352	P2352-R2354 PolarHBondContact O-N 3.06Å
2355	D	28.2	Very low	29.1	Very low	126 Å²	126	133.1 Å²	133.1	67%	0.674	71%	0.712	S	S	*	*			trans	38.5	116.7	164.1	-61.3	-66.4	0	0	0	120.5	N2357 Q2358	D2355-N2357 PolarHBondContact O-N 3.03Å; D2355-Q2358 PolarHBondContact O-N 3.06Å
2356	R	27.9	Very low	29.6	Very low	238.5 Å²	238.5	133.8 Å²	133.8	90%	0.9	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	109.2	160	-126.9	-176.8	172.7	164.2	-2.8	111
2357	N	29	Very low	30.3	Very low	165.5 Å²	165.5	128.1 Å²	128.1	89%	0.885	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	138.9	2	164.2	-71.2	-23.9	0	0	0	116.5	D2355	D2355-N2357 PolarHBondContact O-N 3.03Å
2358	Q	28.4	Very low	30.7	Very low	172 Å²	172	128.4 Å²	128.4	80%	0.804	68%	0.682	S	S	*	*			trans	-101.7	129.9	173.1	-69.3	-159.2	79.5	0	0	113.3	D2355 L2360	D2355-Q2358 PolarHBondContact O-N 3.06Å; Q2358-L2360 PolarHBondContact O-N 2.8Å
2359	Q	26.5	Very low	31.5	Very low	179.5 Å²	179.5	128.2 Å²	128.2	84%	0.839	67%	0.673	S	S	*	*			trans	-68.2	114.9	-177	179.4	178.3	-15.9	0	0	110.9	S2361	Q2359-S2361 PolarHBondContact O-N 3.04Å
2360	L	28	Very low	32.3	Very low	143 Å²	143	127.5 Å²	127.5	75%	0.749	67%	0.668	S	S	*	*			trans	-62.3	106.8	172.6	-89	164.1	0	0	0	109.8	Q2358 N2364	Q2358-L2360 PolarHBondContact O-N 2.8Å; L2360-N2364 HydrophobicContact CD2-CB 4.42Å
2361	S	28.6	Very low	33.5	Very low	66 Å²	66	128 Å²	128	46%	0.462	66%	0.66	S	S	.	*			trans	-66.4	141.8	177.5	8.6	0	0	0	0	110.9	Q2359 S2363 N2364 A2365	Q2359-S2361 PolarHBondContact O-N 3.04Å; S2361-S2363 PolarHBondContact O-N 3.15Å; S2361-N2364 PolarHBondContact O-N 3.22Å; S2361-A2365 PolarHBondContact O-N 3.42Å
2362	L	32.5	Very low	34.3	Very low	120.5 Å²	120.5	123.9 Å²	123.9	63%	0.631	64%	0.638	S	S	*	*	H	α-helix	trans	-52.8	-35.3	-174.5	-94.5	75.7	0	0	0	113.1	N2364 A2365 H2366	L2362-N2364 VanDerWaalsContact C-N 3.26Å; L2362-N2364 PolarHBondContact O-N 3.03Å; L2362-A2365 PolarHBondContact O-N 3.07Å; L2362-A2365 VanDerWaalsContact O-N 3.12Å; L2362-H2366 WeakPolarHBondContact O-CB 3.44Å; L2362-H2366 PolarHBondContact O-CD2 3.22Å; L2362-H2366 PolarHBondContact O-N 3.3Å; L2362-H2366 VanDerWaalsContact O-N 3.15Å
2363	S	35	Very low	35.3	Very low	88.5 Å²	88.5	121.7 Å²	121.7	62%	0.619	62%	0.62	S	S	*	*	H	α-helix	trans	-53.8	-37.3	177.1	-50.6	0	0	0	0	113.6	S2361 H2366 S2367	S2361-S2363 PolarHBondContact O-N 3.15Å; S2363-H2366 PolarHBondContact O-N 3.05Å; S2363-S2367 VanDerWaalsContact O-CB 3.31Å; S2363-S2367 WeakPolarHBondContact O-CB 3.49Å; S2363-S2367 PolarHBondContact O-N 3.1Å
2364	N	34.8	Very low	36.4	Very low	98.5 Å²	98.5	118.7 Å²	118.7	53%	0.527	60%	0.603	S	S	.	*	H	α-helix	trans	-74.1	-35.2	-179.4	-71.3	5	0	0	0	111.7	L2360 S2361 L2362 Y2368	L2360-N2364 HydrophobicContact CD2-CB 4.42Å; S2361-N2364 PolarHBondContact O-N 3.22Å; L2362-N2364 VanDerWaalsContact C-N 3.26Å; L2362-N2364 PolarHBondContact O-N 3.03Å; N2364-Y2368 WeakPolarHBondContact O-CB 3.47Å; N2364-Y2368 PolarHBondContact O-N 3.14Å
2365	A	33	Very low	37.4	Very low	50.5 Å²	50.5	113.7 Å²	113.7	42%	0.417	59%	0.589	S	S	.	*	H	α-helix	trans	-67.5	-42.4	173.3	0	0	0	0	0	111.8	S2361 L2362 S2367 Y2368 L2369	S2361-A2365 PolarHBondContact O-N 3.42Å; L2362-A2365 PolarHBondContact O-N 3.07Å; L2362-A2365 VanDerWaalsContact O-N 3.12Å; A2365-S2367 PolarHBondContact O-N 2.88Å; A2365-Y2368 PolarHBondContact O-N 3.05Å; A2365-L2369 WeakPolarHBondContact O-CB 3.49Å; A2365-L2369 PolarHBondContact O-N 3.16Å; A2365-L2369 VanDerWaalsContact O-N 3.11Å
2366	H	38.6	Very low	38.3	Very low	120.5 Å²	120.5	110 Å²	110	56%	0.558	57%	0.568	S	S	*	*	H	α-helix	trans	-63.4	-39.4	175.1	-86.8	-95.8	0	0	0	112.7	L2362 S2363 L2369 S2370	L2362-H2366 WeakPolarHBondContact O-CB 3.44Å; L2362-H2366 PolarHBondContact O-CD2 3.22Å; L2362-H2366 PolarHBondContact O-N 3.3Å; L2362-H2366 VanDerWaalsContact O-N 3.15Å; S2363-H2366 PolarHBondContact O-N 3.05Å; H2366-L2369 PolarHBondContact O-N 2.94Å; H2366-S2370 WeakPolarHBondContact O-CB 3.29Å; H2366-S2370 PolarHBondContact O-N 2.96Å; H2366-S2370 VanDerWaalsContact O-N 3.12Å; H2366-S2370 PolarHBondContact O-OG 3.04Å
2367	S	40.7	Very low	39.4	Very low	66 Å²	66	100.5 Å²	100.5	46%	0.462	54%	0.541	S	S	.	.	H	α-helix	trans	-62.6	-45.5	175.6	-172.3	0	0	0	0	111.8	S2363 A2365 S2370 Q2371	S2363-S2367 VanDerWaalsContact O-CB 3.31Å; S2363-S2367 WeakPolarHBondContact O-CB 3.49Å; S2363-S2367 PolarHBondContact O-N 3.1Å; A2365-S2367 PolarHBondContact O-N 2.88Å; S2367-S2370 WeakPolarHBondContact O-CB 3.37Å; S2367-S2370 PolarHBondContact O-N 2.9Å; S2367-Q2371 PolarHBondContact O-N 3.02Å; S2367-Q2371 VanDerWaalsContact O-N 3.13Å
2368	Y	37	Very low	40.3	Very low	143 Å²	143	96.3 Å²	96.3	56%	0.561	52%	0.519	S	S	*	.	H	α-helix	trans	-65.5	-42	179.3	-163.4	-106.1	0	0	0	112.7	N2364 A2365 S2370 Q2371 I2372	N2364-Y2368 WeakPolarHBondContact O-CB 3.47Å; N2364-Y2368 PolarHBondContact O-N 3.14Å; A2365-Y2368 PolarHBondContact O-N 3.05Å; Y2368-S2370 VanDerWaalsContact C-N 3.31Å; Y2368-S2370 PolarHBondContact O-N 3.17Å; Y2368-Q2371 PolarHBondContact O-N 2.94Å; Y2368-I2372 HydrophobicContact CD1-CD1 3.87Å; Y2368-I2372 HydrophobicContact CE1-CD1 3.44Å; Y2368-I2372 HydrophobicContact CE2-CD1 4.18Å; Y2368-I2372 PolarHBondContact O-N 3.18Å
2369	L	43.5	Very low	41.1	Very low	89 Å²	89	90.2 Å²	90.2	47%	0.466	50%	0.498	S	S	.	.	H	α-helix	trans	-60.3	-40	171.9	-95.9	161.1	0	0	0	112.3	A2365 H2366 Q2371 I2372 L2373	A2365-L2369 WeakPolarHBondContact O-CB 3.49Å; A2365-L2369 PolarHBondContact O-N 3.16Å; A2365-L2369 VanDerWaalsContact O-N 3.11Å; H2366-L2369 PolarHBondContact O-N 2.94Å; L2369-Q2371 VanDerWaalsContact C-N 3.3Å; L2369-Q2371 PolarHBondContact O-N 3.29Å; L2369-I2372 PolarHBondContact O-N 3.13Å; L2369-L2373 HydrophobicContact CD2-CD1 4.2Å; L2369-L2373 VanDerWaalsContact O-CB 3.29Å; L2369-L2373 WeakPolarHBondContact O-CB 3.26Å; L2369-L2373 VanDerWaalsContact O-CG 3.31Å; L2369-L2373 WeakPolarHBondContact O-CG 3.22Å; L2369-L2373 PolarHBondContact O-N 2.91Å
2370	S	45.5	Very low	42.1	Very low	76.5 Å²	76.5	83.7 Å²	83.7	54%	0.535	47%	0.47	S	S	.	.	H	α-helix	trans	-66.9	-28.8	-179.1	-58.3	0	0	0	0	113.2	H2366 S2367 Y2368 P2374	H2366-S2370 WeakPolarHBondContact O-CB 3.29Å; H2366-S2370 PolarHBondContact O-N 2.96Å; H2366-S2370 VanDerWaalsContact O-N 3.12Å; H2366-S2370 PolarHBondContact O-OG 3.04Å; S2367-S2370 WeakPolarHBondContact O-CB 3.37Å; S2367-S2370 PolarHBondContact O-N 2.9Å; Y2368-S2370 VanDerWaalsContact C-N 3.31Å; Y2368-S2370 PolarHBondContact O-N 3.17Å; S2370-P2374 VanDerWaalsContact O-CD 3.29Å; S2370-P2374 WeakPolarHBondContact O-CD 3.38Å
2371	Q	51.8	Low	43	Very low	135.5 Å²	135.5	83.6 Å²	83.6	63%	0.633	46%	0.46	S	S	*	.	H	α-helix	trans	-77.7	-36.1	173.6	-69.5	-176.2	-6.8	0	0	112.7	S2367 Y2368 L2369	S2367-Q2371 PolarHBondContact O-N 3.02Å; S2367-Q2371 VanDerWaalsContact O-N 3.13Å; Y2368-Q2371 PolarHBondContact O-N 2.94Å; L2369-Q2371 VanDerWaalsContact C-N 3.3Å; L2369-Q2371 PolarHBondContact O-N 3.29Å
2372	I	46.7	Very low	43.9	Very low	54 Å²	54	85.9 Å²	85.9	28%	0.277	47%	0.466	S	S	.	.	H	α-helix	trans	-81.3	-30.3	-175.8	-75.1	175.3	0	0	0	113.1	Y2368 L2369 E2375 L2376	Y2368-I2372 HydrophobicContact CD1-CD1 3.87Å; Y2368-I2372 HydrophobicContact CE1-CD1 3.44Å; Y2368-I2372 HydrophobicContact CE2-CD1 4.18Å; Y2368-I2372 PolarHBondContact O-N 3.18Å; L2369-I2372 PolarHBondContact O-N 3.13Å; I2372-E2375 PolarHBondContact O-N 3.18Å; I2372-E2375 VanDerWaalsContact O-N 3.12Å; I2372-L2376 HydrophobicContact CG2-CB 4.26Å; I2372-L2376 VanDerWaalsContact O-CB 3.31Å; I2372-L2376 WeakPolarHBondContact O-CB 3.45Å; I2372-L2376 PolarHBondContact O-N 3.45Å; I2372-L2376 VanDerWaalsContact O-N 3.15Å
2373	L	50.4	Low	44.5	Very low	68 Å²	68	83.9 Å²	83.9	36%	0.356	46%	0.456	S	S	.	.	H	α-helix	trans	-57.4	-44.6	-177.3	-90.9	158.3	0	0	0	114.1	L2369 L2376 A2377	L2369-L2373 HydrophobicContact CD2-CD1 4.2Å; L2369-L2373 VanDerWaalsContact O-CB 3.29Å; L2369-L2373 WeakPolarHBondContact O-CB 3.26Å; L2369-L2373 VanDerWaalsContact O-CG 3.31Å; L2369-L2373 WeakPolarHBondContact O-CG 3.22Å; L2369-L2373 PolarHBondContact O-N 2.91Å; L2373-L2376 PolarHBondContact O-N 3.11Å; L2373-A2377 WeakPolarHBondContact O-CB 3.23Å; L2373-A2377 PolarHBondContact O-N 3.38Å
2374	P	50.3	Low	45	Very low	73.5 Å²	73.5	85.4 Å²	85.4	48%	0.477	45%	0.453	S	S	.	.	H	α-helix	trans	-64.1	-40	176.2	-24.6	35.3	0	0	0	114.2	S2370 N2378	S2370-P2374 VanDerWaalsContact O-CD 3.29Å; S2370-P2374 WeakPolarHBondContact O-CD 3.38Å; P2374-N2378 WeakPolarHBondContact O-CB 3.24Å; P2374-N2378 VanDerWaalsContact O-CG 3.25Å; P2374-N2378 PolarHBondContact O-N 3.18Å; P2374-N2378 PolarHBondContact O-ND2 2.96Å; P2374-N2378 VanDerWaalsContact O-ND2 3.17Å
2375	E	49.1	Very low	45.5	Very low	113.5 Å²	113.5	87 Å²	87	53%	0.53	46%	0.457	S	S	.	.	H	α-helix	trans	-67.9	-41.3	176.8	-68.9	-167.7	130	0	0	111.8	L2347 I2372 A2377 N2378 A2379	L2347-E2375 WeakPolarHBondContact CD2-OE1 3.42Å; L2347-E2375 WeakPolarHBondContact CD2-OE2 3.47Å; I2372-E2375 PolarHBondContact O-N 3.18Å; I2372-E2375 VanDerWaalsContact O-N 3.12Å; E2375-A2377 VanDerWaalsContact C-N 3.34Å; E2375-A2377 PolarHBondContact O-N 3.26Å; E2375-N2378 WeakPolarHBondContact O-CB 3.35Å; E2375-N2378 PolarHBondContact O-N 3Å; E2375-A2379 WeakPolarHBondContact O-CB 3.39Å; E2375-A2379 PolarHBondContact O-N 3.45Å
2376	L	47.9	Very low	45.8	Very low	48 Å²	48	88.5 Å²	88.5	25%	0.251	46%	0.461	S	S	.	.	H	α-helix	trans	-66.9	-40	178.2	-167.7	62.8	0	0	0	111.1	I2372 L2373 N2378 A2379 V2380 L2395 L2403	I2372-L2376 HydrophobicContact CG2-CB 4.26Å; I2372-L2376 VanDerWaalsContact O-CB 3.31Å; I2372-L2376 WeakPolarHBondContact O-CB 3.45Å; I2372-L2376 PolarHBondContact O-N 3.45Å; I2372-L2376 VanDerWaalsContact O-N 3.15Å; L2373-L2376 PolarHBondContact O-N 3.11Å; L2376-N2378 VanDerWaalsContact C-N 3.32Å; L2376-N2378 PolarHBondContact O-N 2.72Å; L2376-A2379 PolarHBondContact O-N 3.19Å; L2376-V2380 WeakPolarHBondContact O-CB 3.18Å; L2376-V2380 VanDerWaalsContact O-CG2 3.28Å; L2376-V2380 WeakPolarHBondContact O-CG2 3.46Å; L2376-V2380 PolarHBondContact O-N 3.22Å; L2376-V2380 VanDerWaalsContact O-N 3.09Å; L2376-L2395 HydrophobicContact CD1-CD2 4.47Å; L2376-L2403 HydrophobicContact CD2-CD2 3.69Å; L2376-L2403 HydrophobicContact CG-CD2 3.87Å
2377	A	49.4	Very low	45.6	Very low	39.5 Å²	39.5	88.3 Å²	88.3	33%	0.326	47%	0.47	S	S	.	.	H	α-helix	trans	-63.2	-38.8	171.8	0	0	0	0	0	112.2	L2373 E2375 R2381 L2407	L2373-A2377 WeakPolarHBondContact O-CB 3.23Å; L2373-A2377 PolarHBondContact O-N 3.38Å; E2375-A2377 VanDerWaalsContact C-N 3.34Å; E2375-A2377 PolarHBondContact O-N 3.26Å; A2377-R2381 WeakPolarHBondContact O-CB 3.46Å; A2377-R2381 PolarHBondContact O-N 3.34Å; A2377-L2407 HydrophobicContact CB-CD1 4.2Å; A2377-L2407 HydrophobicContact CB-CD2 3.95Å
2378	N	49	Very low	45.2	Very low	77 Å²	77	91 Å²	91	41%	0.412	48%	0.48	S	S	.	.	H	α-helix	trans	-65.4	-43.4	173.8	-78.5	-25.2	0	0	0	112.4	P2374 E2375 L2376 R2381 L2382	P2374-N2378 WeakPolarHBondContact O-CB 3.24Å; P2374-N2378 VanDerWaalsContact O-CG 3.25Å; P2374-N2378 PolarHBondContact O-N 3.18Å; P2374-N2378 PolarHBondContact O-ND2 2.96Å; P2374-N2378 VanDerWaalsContact O-ND2 3.17Å; E2375-N2378 WeakPolarHBondContact O-CB 3.35Å; E2375-N2378 PolarHBondContact O-N 3Å; L2376-N2378 VanDerWaalsContact C-N 3.32Å; L2376-N2378 PolarHBondContact O-N 2.72Å; N2378-R2381 WeakPolarHBondContact O-CB 3.43Å; N2378-R2381 PolarHBondContact O-N 3.08Å; N2378-R2381 PolarHBondContact OD1-NH2 3.34Å; N2378-L2382 WeakPolarHBondContact O-CB 3.07Å; N2378-L2382 WeakPolarHBondContact O-CD1 3.33Å; N2378-L2382 PolarHBondContact O-N 3.1Å
2379	A	44.1	Very low	44.9	Very low	44.5 Å²	44.5	91.5 Å²	91.5	37%	0.368	49%	0.492	S	S	.	.	H	α-helix	trans	-62.2	-46.4	177	0	0	0	0	0	111.9	E2375 L2376 R2381 L2382 I2383	E2375-A2379 WeakPolarHBondContact O-CB 3.39Å; E2375-A2379 PolarHBondContact O-N 3.45Å; L2376-A2379 PolarHBondContact O-N 3.19Å; A2379-R2381 VanDerWaalsContact C-N 3.29Å; A2379-R2381 PolarHBondContact O-N 3.08Å; A2379-L2382 WeakPolarHBondContact O-CB 3.31Å; A2379-L2382 PolarHBondContact O-N 2.91Å; A2379-L2382 VanDerWaalsContact O-N 3.17Å; A2379-I2383 WeakPolarHBondContact O-CD1 3.33Å; A2379-I2383 VanDerWaalsContact O-CG1 3.28Å; A2379-I2383 WeakPolarHBondContact O-CG1 3.42Å; A2379-I2383 PolarHBondContact O-N 3.46Å; A2379-I2383 VanDerWaalsContact O-N 3.17Å
2380	V	48.1	Very low	44.5	Very low	42.5 Å²	42.5	94.6 Å²	94.6	26%	0.258	51%	0.509	S	S	.	.	H	α-helix	trans	-61.8	-36.5	175	170.6	0	0	0	0	111.5	L2376 I2383 Q2384 L2403	L2376-V2380 WeakPolarHBondContact O-CB 3.18Å; L2376-V2380 VanDerWaalsContact O-CG2 3.28Å; L2376-V2380 WeakPolarHBondContact O-CG2 3.46Å; L2376-V2380 PolarHBondContact O-N 3.22Å; L2376-V2380 VanDerWaalsContact O-N 3.09Å; V2380-I2383 PolarHBondContact O-N 3.02Å; V2380-Q2384 WeakPolarHBondContact O-CG 3.45Å; V2380-Q2384 PolarHBondContact O-N 3.14Å; V2380-Q2384 PolarHBondContact O-NE2 3.23Å; V2380-L2403 HydrophobicContact CG2-CD1 3.98Å
2381	R	46.9	Very low	43.9	Very low	141.5 Å²	141.5	93.9 Å²	93.9	53%	0.534	50%	0.504	S	S	.	.	H	α-helix	trans	-67.8	-39.7	175.4	-163.9	-178.3	9.3	179.4	4.9	112.6	A2377 N2378 A2379 Q2384 Q2385	A2377-R2381 WeakPolarHBondContact O-CB 3.46Å; A2377-R2381 PolarHBondContact O-N 3.34Å; N2378-R2381 WeakPolarHBondContact O-CB 3.43Å; N2378-R2381 PolarHBondContact O-N 3.08Å; N2378-R2381 PolarHBondContact OD1-NH2 3.34Å; A2379-R2381 VanDerWaalsContact C-N 3.29Å; A2379-R2381 PolarHBondContact O-N 3.08Å; R2381-Q2384 PolarHBondContact O-N 3.33Å; R2381-Q2385 VanDerWaalsContact O-CG 3.31Å; R2381-Q2385 WeakPolarHBondContact O-CG 3.49Å; R2381-Q2385 PolarHBondContact O-N 3.13Å; R2381-Q2385 VanDerWaalsContact O-N 3.16Å
2382	L	46.6	Very low	42.9	Very low	112.5 Å²	112.5	91.9 Å²	91.9	59%	0.589	51%	0.511	S	S	*	.	H	α-helix	trans	-63.9	-44.7	175.6	-119.3	75.3	0	0	0	111.5	N2378 A2379 Q2384 Q2385 T2386	N2378-L2382 WeakPolarHBondContact O-CB 3.07Å; N2378-L2382 WeakPolarHBondContact O-CD1 3.33Å; N2378-L2382 PolarHBondContact O-N 3.1Å; A2379-L2382 WeakPolarHBondContact O-CB 3.31Å; A2379-L2382 PolarHBondContact O-N 2.91Å; A2379-L2382 VanDerWaalsContact O-N 3.17Å; L2382-Q2384 PolarHBondContact O-N 2.92Å; L2382-Q2385 WeakPolarHBondContact O-CA 3.4Å; L2382-Q2385 PolarHBondContact O-N 3.26Å; L2382-T2386 PolarHBondContact O-N 3.22Å; L2382-T2386 PolarHBondContact O-OG1 3.24Å
2383	I	45.8	Very low	42.2	Very low	80 Å²	80	92.5 Å²	92.5	41%	0.41	53%	0.531	S	S	.	.	H	α-helix	trans	-61.2	-31.8	177.9	-67.4	163.8	0	0	0	111.4	A2379 V2380 Q2385 L2395	A2379-I2383 WeakPolarHBondContact O-CD1 3.33Å; A2379-I2383 VanDerWaalsContact O-CG1 3.28Å; A2379-I2383 WeakPolarHBondContact O-CG1 3.42Å; A2379-I2383 PolarHBondContact O-N 3.46Å; A2379-I2383 VanDerWaalsContact O-N 3.17Å; V2380-I2383 PolarHBondContact O-N 3.02Å; I2383-Q2385 VanDerWaalsContact C-N 3.34Å; I2383-L2395 HydrophobicContact CD1-CD1 4.32Å
2384	Q	45.8	Very low	41.8	Very low	119 Å²	119	97.2 Å²	97.2	56%	0.556	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-7.8	174.1	-71.2	171.7	63.2	0	0	114.1	V2380 R2381 L2382	V2380-Q2384 WeakPolarHBondContact O-CG 3.45Å; V2380-Q2384 PolarHBondContact O-N 3.14Å; V2380-Q2384 PolarHBondContact O-NE2 3.23Å; R2381-Q2384 PolarHBondContact O-N 3.33Å; L2382-Q2384 PolarHBondContact O-N 2.92Å
2385	Q	45.8	Very low	41.4	Very low	132 Å²	132	96.1 Å²	96.1	62%	0.617	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-12.1	-178.6	-76.6	179.3	-23.5	0	0	114.1	R2381 L2382 I2383	R2381-Q2385 VanDerWaalsContact O-CG 3.31Å; R2381-Q2385 WeakPolarHBondContact O-CG 3.49Å; R2381-Q2385 PolarHBondContact O-N 3.13Å; R2381-Q2385 VanDerWaalsContact O-N 3.16Å; L2382-Q2385 WeakPolarHBondContact O-CA 3.4Å; L2382-Q2385 PolarHBondContact O-N 3.26Å; I2383-Q2385 VanDerWaalsContact C-N 3.34Å
2386	T	38.4	Very low	41.2	Very low	82.5 Å²	82.5	94.3 Å²	94.3	51%	0.506	54%	0.536	S	S	.	.			trans	-127.6	84.7	176.3	44.5	0	0	0	0	111	L2382 D2388	L2382-T2386 PolarHBondContact O-N 3.22Å; L2382-T2386 PolarHBondContact O-OG1 3.24Å; T2386-D2388 PolarHBondContact O-N 3.16Å
2387	P	35.2	Very low	41.2	Very low	116 Å²	116	97.9 Å²	97.9	75%	0.753	56%	0.555	S	S	*	*			trans	-79.1	42.8	-178.8	35.6	-37.2	0	0	0	112.7
2388	D	32.8	Very low	41.2	Very low	122.5 Å²	122.5	101.2 Å²	101.2	66%	0.655	57%	0.567	S	S	*	*			trans	-90.2	141.5	179.9	-78.3	-60.3	0	0	0	111.7	T2386 N2390 S2391	T2386-D2388 PolarHBondContact O-N 3.16Å; D2388-N2390 PolarHBondContact O-N 2.99Å; D2388-S2391 WeakPolarHBondContact O-CB 3.29Å; D2388-S2391 PolarHBondContact O-N 2.88Å; D2388-S2391 VanDerWaalsContact O-N 3.12Å; D2388-S2391 PolarHBondContact O-OG 3.12Å
2389	N	30.4	Very low	41.3	Very low	154.5 Å²	154.5	99.3 Å²	99.3	83%	0.826	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	92.6	-156.5	-102.3	-47.4	0	0	0	115.5
2390	N	33.6	Very low	41.4	Very low	153.5 Å²	153.5	100.8 Å²	100.8	82%	0.821	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	149.2	10	169.3	-64	-60	0	0	0	115.8	D2388 A2392	D2388-N2390 PolarHBondContact O-N 2.99Å; N2390-A2392 PolarHBondContact O-N 3.37Å
2391	S	33.2	Very low	41.7	Very low	62.5 Å²	62.5	102.7 Å²	102.7	44%	0.437	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-109.6	-3.7	-177.1	-63.7	0	0	0	0	116.6	D2388 G2393 F2394	D2388-S2391 WeakPolarHBondContact O-CB 3.29Å; D2388-S2391 PolarHBondContact O-N 2.88Å; D2388-S2391 VanDerWaalsContact O-N 3.12Å; D2388-S2391 PolarHBondContact O-OG 3.12Å; S2391-G2393 VanDerWaalsContact C-N 3.26Å; S2391-G2393 PolarHBondContact O-N 2.87Å; S2391-F2394 WeakPolarHBondContact O-CD2 3.46Å; S2391-F2394 PolarHBondContact O-N 3.43Å
2392	A	30.3	Very low	42.2	Very low	93 Å²	93	100 Å²	100	77%	0.769	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-71.1	-2.4	-175.8	0	0	0	0	0	115.5	N2390	N2390-A2392 PolarHBondContact O-N 3.37Å
2393	G	33.7	Very low	42.7	Very low	67 Å²	67	94.9 Å²	94.9	69%	0.691	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-85	-1.1	-173.3	0	0	0	0	0	117	S2391 L2395	S2391-G2393 VanDerWaalsContact C-N 3.26Å; S2391-G2393 PolarHBondContact O-N 2.87Å; G2393-L2395 PolarHBondContact O-N 3.07Å
2394	F	41.6	Very low	43.5	Very low	166 Å²	166	96 Å²	96	73%	0.728	54%	0.538	S	S	*	.	S	Bend	trans	-84.9	-4.5	-163.4	-79.6	-87.6	0	0	0	116.9	S2391 P2396	S2391-F2394 WeakPolarHBondContact O-CD2 3.46Å; S2391-F2394 PolarHBondContact O-N 3.43Å; F2394-P2396 WeakPolarHBondContact O-CD 3.26Å
2395	L	41.6	Very low	44.3	Very low	50.5 Å²	50.5	94.3 Å²	94.3	26%	0.264	54%	0.536	S	S	.	.	S	Bend	trans	-113	116.5	169.3	-68.3	173.5	0	0	0	109.5	L2376 I2383 G2393 V2399 Q2400	L2376-L2395 HydrophobicContact CD1-CD2 4.47Å; I2383-L2395 HydrophobicContact CD1-CD1 4.32Å; G2393-L2395 PolarHBondContact O-N 3.07Å; L2395-V2399 HydrophobicContact CB-CG1 4.07Å; L2395-V2399 HydrophobicContact CD2-CG1 3.84Å; L2395-V2399 HydrophobicContact CG-CG1 4.35Å; L2395-Q2400 HydrophobicContact CB-CG 4.09Å; L2395-Q2400 PolarHBondContact O-NE2 3.17Å
2396	P	44.4	Very low	44.8	Very low	76 Å²	76	91.1 Å²	91.1	49%	0.494	52%	0.523	S	S	.	.			trans	-54.1	153	174.7	-26.2	33.8	0	0	0	112.4	F2394 D2398 V2399 Q2400	F2394-P2396 WeakPolarHBondContact O-CD 3.26Å; P2396-D2398 VanDerWaalsContact C-N 3.3Å; P2396-D2398 PolarHBondContact O-N 3.22Å; P2396-D2398 VanDerWaalsContact O-N 3.13Å; P2396-V2399 HydrophobicContact CB-CB 4.32Å; P2396-V2399 HydrophobicContact CB-CG2 4.13Å; P2396-V2399 HydrophobicContact CG-CG2 4.1Å; P2396-V2399 WeakPolarHBondContact O-CA 3.45Å; P2396-V2399 VanDerWaalsContact O-CB 3.32Å; P2396-V2399 WeakPolarHBondContact O-CB 3.45Å; P2396-V2399 PolarHBondContact O-N 3.19Å; P2396-Q2400 PolarHBondContact O-N 3.29Å; P2396-Q2400 VanDerWaalsContact O-N 3.1Å
2397	L	49.2	Very low	45.8	Very low	123.5 Å²	123.5	89.2 Å²	89.2	65%	0.647	51%	0.509	S	S	*	.	H	α-helix	trans	-57.8	-37.9	-178.7	-157.1	73.8	0	0	0	111.7	V2399 Q2400 N2401	L2397-V2399 VanDerWaalsContact C-N 3.31Å; L2397-V2399 PolarHBondContact O-N 3.06Å; L2397-Q2400 PolarHBondContact O-N 3.32Å; L2397-N2401 WeakPolarHBondContact O-CB 3.5Å; L2397-N2401 VanDerWaalsContact O-CG 3.27Å; L2397-N2401 PolarHBondContact O-N 3.44Å; L2397-N2401 PolarHBondContact O-ND2 3.12Å
2398	D	47.8	Very low	47.1	Very low	109 Å²	109	89.8 Å²	89.8	58%	0.583	50%	0.502	S	S	*	.	H	α-helix	trans	-61.4	-31.7	172.5	-61.9	-65.6	0	0	0	113.8	P2396 K2402	P2396-D2398 VanDerWaalsContact C-N 3.3Å; P2396-D2398 PolarHBondContact O-N 3.22Å; P2396-D2398 VanDerWaalsContact O-N 3.13Å; D2398-K2402 VanDerWaalsContact O-CB 3.25Å; D2398-K2402 WeakPolarHBondContact O-CB 3.47Å; D2398-K2402 WeakPolarHBondContact O-CD 3.47Å; D2398-K2402 WeakPolarHBondContact O-CG 3.34Å; D2398-K2402 PolarHBondContact O-N 3.2Å
2399	V	51.6	Low	48.5	Very low	36 Å²	36	88.9 Å²	88.9	22%	0.218	49%	0.494	C	S	.	.	H	α-helix	trans	-77	-41.5	179	175.2	0	0	0	0	110.4	L2395 P2396 L2397 L2403 Q2694	L2395-V2399 HydrophobicContact CB-CG1 4.07Å; L2395-V2399 HydrophobicContact CD2-CG1 3.84Å; L2395-V2399 HydrophobicContact CG-CG1 4.35Å; P2396-V2399 HydrophobicContact CB-CB 4.32Å; P2396-V2399 HydrophobicContact CB-CG2 4.13Å; P2396-V2399 HydrophobicContact CG-CG2 4.1Å; P2396-V2399 WeakPolarHBondContact O-CA 3.45Å; P2396-V2399 VanDerWaalsContact O-CB 3.32Å; P2396-V2399 WeakPolarHBondContact O-CB 3.45Å; P2396-V2399 PolarHBondContact O-N 3.19Å; L2397-V2399 VanDerWaalsContact C-N 3.31Å; L2397-V2399 PolarHBondContact O-N 3.06Å; V2399-L2403 HydrophobicContact CG1-CD1 4.32Å; V2399-L2403 WeakPolarHBondContact O-CB 3.41Å; V2399-L2403 PolarHBondContact O-N 2.71Å; V2399-Q2694 HydrophobicContact CG1-CG 4.12Å; V2399-Q2694 HydrophobicContact CG2-CG 4.14Å; V2399-Q2694 PolarHBondContact O-NE2 3.43Å
2400	Q	47.7	Very low	49.8	Very low	77.5 Å²	77.5	85.1 Å²	85.1	36%	0.362	47%	0.471	S	S	.	.	H	α-helix	trans	-61.9	-47.7	170.9	-63.1	-169.8	20.5	0	0	111.2	L2395 P2396 L2397 K2402 L2403 L2404	L2395-Q2400 HydrophobicContact CB-CG 4.09Å; L2395-Q2400 PolarHBondContact O-NE2 3.17Å; P2396-Q2400 PolarHBondContact O-N 3.29Å; P2396-Q2400 VanDerWaalsContact O-N 3.1Å; L2397-Q2400 PolarHBondContact O-N 3.32Å; Q2400-K2402 PolarHBondContact O-N 3.29Å; Q2400-L2403 WeakPolarHBondContact O-CB 3.38Å; Q2400-L2403 PolarHBondContact O-N 2.97Å; Q2400-L2404 WeakPolarHBondContact O-CB 3.32Å; Q2400-L2404 PolarHBondContact O-N 3.47Å
2401	N	52.7	Low	50.7	Low	82 Å²	82	84.3 Å²	84.3	44%	0.439	46%	0.462	S	S	.	.	H	α-helix	trans	-60.7	-46.8	179	-73.1	-24.3	0	0	0	111.8	L2397 L2403 L2404 T2405	L2397-N2401 WeakPolarHBondContact O-CB 3.5Å; L2397-N2401 VanDerWaalsContact O-CG 3.27Å; L2397-N2401 PolarHBondContact O-N 3.44Å; L2397-N2401 PolarHBondContact O-ND2 3.12Å; N2401-L2403 VanDerWaalsContact C-N 3.33Å; N2401-L2403 PolarHBondContact O-N 3.48Å; N2401-L2404 WeakPolarHBondContact O-CB 3.46Å; N2401-L2404 PolarHBondContact O-N 3.17Å; N2401-T2405 PolarHBondContact O-N 3.32Å; N2401-T2405 PolarHBondContact O-OG1 3.4Å
2402	K	58.4	Low	51.5	Low	85 Å²	85	88.4 Å²	88.4	37%	0.37	47%	0.474	S	S	.	.	H	α-helix	trans	-61.8	-37.3	175.3	-77.3	171.1	-179.2	-67.2	0	113	D2398 Q2400 T2405 L2406	D2398-K2402 VanDerWaalsContact O-CB 3.25Å; D2398-K2402 WeakPolarHBondContact O-CB 3.47Å; D2398-K2402 WeakPolarHBondContact O-CD 3.47Å; D2398-K2402 WeakPolarHBondContact O-CG 3.34Å; D2398-K2402 PolarHBondContact O-N 3.2Å; Q2400-K2402 PolarHBondContact O-N 3.29Å; K2402-T2405 PolarHBondContact O-N 2.87Å; K2402-L2406 WeakPolarHBondContact O-CB 3.41Å; K2402-L2406 PolarHBondContact O-N 3.49Å
2403	L	56.1	Low	52.2	Low	5 Å²	5	89.6 Å²	89.6	3%	0.026	47%	0.467	C	S	.	.	H	α-helix	trans	-65.8	-41.2	174.2	-90.8	159.6	0	0	0	112	L2376 V2380 V2399 Q2400 N2401 L2406 L2407	L2376-L2403 HydrophobicContact CD2-CD2 3.69Å; L2376-L2403 HydrophobicContact CG-CD2 3.87Å; V2380-L2403 HydrophobicContact CG2-CD1 3.98Å; V2399-L2403 HydrophobicContact CG1-CD1 4.32Å; V2399-L2403 WeakPolarHBondContact O-CB 3.41Å; V2399-L2403 PolarHBondContact O-N 2.71Å; Q2400-L2403 WeakPolarHBondContact O-CB 3.38Å; Q2400-L2403 PolarHBondContact O-N 2.97Å; N2401-L2403 VanDerWaalsContact C-N 3.33Å; N2401-L2403 PolarHBondContact O-N 3.48Å; L2403-L2406 PolarHBondContact O-N 3.33Å; L2403-L2407 PolarHBondContact O-N 3.09Å
2404	L	63	Low	52.3	Low	104 Å²	104	94 Å²	94	55%	0.545	47%	0.47	S	S	.	.	H	α-helix	trans	-64.4	-42.5	175.7	-171.6	65.5	0	0	0	111.4	Q2400 N2401 L2407 Q2408	Q2400-L2404 WeakPolarHBondContact O-CB 3.32Å; Q2400-L2404 PolarHBondContact O-N 3.47Å; N2401-L2404 WeakPolarHBondContact O-CB 3.46Å; N2401-L2404 PolarHBondContact O-N 3.17Å; L2404-L2407 PolarHBondContact O-N 3.18Å; L2404-Q2408 WeakPolarHBondContact O-CB 3.37Å; L2404-Q2408 PolarHBondContact O-N 3.15Å
2405	T	63.7	Low	52	Low	82 Å²	82	92.8 Å²	92.8	50%	0.503	47%	0.471	S	S	.	.	H	α-helix	trans	-64.3	-40	174.7	-48.9	0	0	0	0	112.4	N2401 K2402 Q2408 Q2409	N2401-T2405 PolarHBondContact O-N 3.32Å; N2401-T2405 PolarHBondContact O-OG1 3.4Å; K2402-T2405 PolarHBondContact O-N 2.87Å; T2405-Q2408 PolarHBondContact O-N 3.49Å; T2405-Q2409 WeakPolarHBondContact O-CB 3.46Å; T2405-Q2409 PolarHBondContact O-N 2.95Å
2406	L	56.1	Low	51.5	Low	65 Å²	65	98.5 Å²	98.5	34%	0.34	50%	0.496	S	S	.	.	H	α-helix	trans	-65.9	-41.1	176.1	-84.9	166	0	0	0	112.7	K2402 L2403 Q2408 Q2409 Q2410	K2402-L2406 WeakPolarHBondContact O-CB 3.41Å; K2402-L2406 PolarHBondContact O-N 3.49Å; L2403-L2406 PolarHBondContact O-N 3.33Å; L2406-Q2408 VanDerWaalsContact C-N 3.35Å; L2406-Q2409 PolarHBondContact O-N 3.41Å; L2406-Q2410 PolarHBondContact O-N 2.95Å
2407	L	58.8	Low	50.6	Low	43 Å²	43	100.5 Å²	100.5	23%	0.225	51%	0.509	C	S	.	.	H	α-helix	trans	-61.9	-42.1	173.1	-89.9	159.5	0	0	0	111.9	A2377 L2403 L2404 Q2410 Q2411	A2377-L2407 HydrophobicContact CB-CD1 4.2Å; A2377-L2407 HydrophobicContact CB-CD2 3.95Å; L2403-L2407 PolarHBondContact O-N 3.09Å; L2404-L2407 PolarHBondContact O-N 3.18Å; L2407-Q2410 PolarHBondContact O-N 3.05Å; L2407-Q2411 PolarHBondContact O-N 3.38Å
2408	Q	63.6	Low	49.6	Very low	129 Å²	129	101 Å²	101	60%	0.603	52%	0.52	S	S	*	.	H	α-helix	trans	-68.8	-36.5	177.9	-165.4	167	95.7	0	0	112.3	L2404 T2405 L2406 Q2411 Q2412	L2404-Q2408 WeakPolarHBondContact O-CB 3.37Å; L2404-Q2408 PolarHBondContact O-N 3.15Å; T2405-Q2408 PolarHBondContact O-N 3.49Å; L2406-Q2408 VanDerWaalsContact C-N 3.35Å; Q2408-Q2411 PolarHBondContact O-N 3.02Å; Q2408-Q2412 PolarHBondContact O-N 2.9Å
2409	Q	62	Low	48.7	Very low	102 Å²	102	104.6 Å²	104.6	48%	0.477	53%	0.533	S	S	.	.	H	α-helix	trans	-69.6	-37.4	174.6	-170.6	174	94.8	0	0	112.1	T2405 L2406 Q2411 Q2412 I2413	T2405-Q2409 WeakPolarHBondContact O-CB 3.46Å; T2405-Q2409 PolarHBondContact O-N 2.95Å; L2406-Q2409 PolarHBondContact O-N 3.41Å; Q2409-Q2411 VanDerWaalsContact C-N 3.32Å; Q2409-Q2411 PolarHBondContact O-N 3.21Å; Q2409-Q2412 PolarHBondContact O-N 3.06Å; Q2409-Q2412 VanDerWaalsContact O-N 3.14Å; Q2409-I2413 HydrophobicContact CG-CD1 3.97Å; Q2409-I2413 WeakPolarHBondContact O-CG1 3.32Å; Q2409-I2413 PolarHBondContact O-N 3.2Å; Q2409-I2413 VanDerWaalsContact O-N 3.08Å
2410	Q	56	Low	47.4	Very low	76 Å²	76	110.5 Å²	110.5	36%	0.355	56%	0.562	S	S	.	*	H	α-helix	trans	-60.7	-40.6	173.5	-174.8	-178.2	86.8	0	0	111.8	L2406 L2407 Q2412 I2413 Q2414	L2406-Q2410 PolarHBondContact O-N 2.95Å; L2407-Q2410 PolarHBondContact O-N 3.05Å; Q2410-Q2412 PolarHBondContact O-N 2.98Å; Q2410-I2413 PolarHBondContact O-N 3.41Å; Q2410-Q2414 PolarHBondContact O-N 2.9Å
2411	Q	53.3	Low	46.4	Very low	136 Å²	136	112.7 Å²	112.7	64%	0.636	59%	0.586	S	S	*	*	H	α-helix	trans	-65.2	-23.1	176.5	-71.5	-175.1	11.4	0	0	113.6	L2407 Q2408 Q2409	L2407-Q2411 PolarHBondContact O-N 3.38Å; Q2408-Q2411 PolarHBondContact O-N 3.02Å; Q2409-Q2411 VanDerWaalsContact C-N 3.32Å; Q2409-Q2411 PolarHBondContact O-N 3.21Å
2412	Q	49.7	Very low	44.9	Very low	148 Å²	148	113.7 Å²	113.7	69%	0.692	61%	0.606	S	S	*	*	H	α-helix	trans	-80.7	-38.9	171.1	-69.5	-173.4	-29.2	0	0	112.3	Q2408 Q2409 Q2410 N2415	Q2408-Q2412 PolarHBondContact O-N 2.9Å; Q2409-Q2412 PolarHBondContact O-N 3.06Å; Q2409-Q2412 VanDerWaalsContact O-N 3.14Å; Q2410-Q2412 PolarHBondContact O-N 2.98Å; Q2412-N2415 PolarHBondContact O-N 3.37Å
2413	I	46	Very low	43.4	Very low	120 Å²	120	119 Å²	119	62%	0.615	63%	0.632	S	S	*	*	H	α-helix	trans	-72.4	-28.3	-177.4	-65.4	167.1	0	0	0	112.2	Q2409 Q2410 N2415	Q2409-I2413 HydrophobicContact CG-CD1 3.97Å; Q2409-I2413 WeakPolarHBondContact O-CG1 3.32Å; Q2409-I2413 PolarHBondContact O-N 3.2Å; Q2409-I2413 VanDerWaalsContact O-N 3.08Å; Q2410-I2413 PolarHBondContact O-N 3.41Å; I2413-N2415 PolarHBondContact O-N 3.49Å; I2413-N2415 VanDerWaalsContact O-N 3.15Å
2414	Q	35.4	Very low	41.8	Very low	159 Å²	159	127 Å²	127	74%	0.743	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-6.9	178.6	-169.1	162.3	69.3	0	0	114.3	Q2410	Q2410-Q2414 PolarHBondContact O-N 2.9Å
2415	N	35.8	Very low	40.1	Very low	140 Å²	140	130.5 Å²	130.5	75%	0.749	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	16.3	-173.7	-88.4	-26.5	0	0	0	115.6	Q2412 I2413	Q2412-N2415 PolarHBondContact O-N 3.37Å; I2413-N2415 PolarHBondContact O-N 3.49Å; I2413-N2415 VanDerWaalsContact O-N 3.15Å
2416	Q	29.6	Very low	38.1	Very low	170 Å²	170	131 Å²	131	79%	0.794	69%	0.694	S	S	*	*	S	Bend	trans	-132.3	137.9	170.8	-72.5	-169.2	-6.3	0	0	113.2
2417	P	27.2	Very low	36.5	Very low	119 Å²	119	132.4 Å²	132.4	77%	0.773	71%	0.71	S	S	*	*			trans	-77.7	148.3	176.4	32.7	-34.7	0	0	0	111.8
2418	P	27.8	Very low	34.7	Very low	133 Å²	133	136.9 Å²	136.9	86%	0.864	73%	0.734	S	S	*	*			trans	-78.9	140.1	-177.3	31.9	-34.8	0	0	0	112.3
2419	H	28.6	Very low	32.7	Very low	185 Å²	185	140.1 Å²	140.1	86%	0.856	75%	0.746	S	S	*	*			trans	-127.2	132.4	166.4	-155.3	-72.9	0	0	0	110.8
2420	L	23.7	Very low	30.9	Very low	160 Å²	160	141.8 Å²	141.8	84%	0.838	76%	0.763	S	S	*	*			trans	-87.9	150.2	179.3	-74	153.1	0	0	0	111.2
2421	S	26.5	Very low	29.3	Very low	123 Å²	123	142 Å²	142	86%	0.86	79%	0.786	S	S	*	*			trans	-164.1	140.4	137	-2	0	0	0	0	109.1
2422	A	22.3	Very low	27.7	Very low	104 Å²	104	141.9 Å²	141.9	86%	0.86	80%	0.795	S	S	*	*			trans	-115.3	155.5	169.4	0	0	0	0	0	108.9
2423	Q	26.6	Very low	26.4	Very low	195 Å²	195	141.5 Å²	141.5	91%	0.911	80%	0.798	S	S	*	*			trans	-144.4	125.2	167.6	-153.9	167.6	21.7	0	0	110
2424	E	22.8	Very low	25.2	Very low	173 Å²	173	141.7 Å²	141.7	81%	0.808	81%	0.805	S	S	*	*			trans	-83.7	160.4	-178.7	-58.9	163.6	97.9	0	0	111.5
2425	L	26.6	Very low	24.4	Very low	178 Å²	178	140.3 Å²	140.3	93%	0.932	81%	0.807	S	S	*	*			trans	-169.5	155.3	141.7	-104.5	163.2	0	0	0	110.2
2426	S	21.8	Very low	23.9	Very low	92 Å²	92	142.9 Å²	142.9	64%	0.643	81%	0.812	S	S	*	*			trans	-132.8	158.6	-141.7	-51.3	0	0	0	0	116.9
2427	S	22.7	Very low	23.7	Very low	96 Å²	96	139.9 Å²	139.9	67%	0.671	81%	0.807	S	S	*	*			trans	70.6	122.9	147.7	56.5	0	0	0	0	122.7
2428	N	21.4	Very low	23.3	Very low	137 Å²	137	140.1 Å²	140.1	73%	0.733	81%	0.807	S	S	*	*			trans	59.2	120	131.2	-49.7	-8.5	0	0	0	121.5
2429	F	21.4	Very low	23	Very low	197 Å²	197	139.1 Å²	139.1	86%	0.864	80%	0.801	S	S	*	*				-175.9	167	90.8	-111.1	-79.6	0	0	0	113.5
2430	T	22.9	Very low	22.6	Very low	136 Å²	136	137 Å²	137	83%	0.834	80%	0.801	S	S	*	*			trans	-88.5	150.7	-179.5	31.1	0	0	0	0	114.1
2431	G	22.6	Very low	22.5	Very low	80 Å²	80	134 Å²	134	83%	0.825	80%	0.799	S	S	*	*			trans	-173.7	144.2	171	0	0	0	0	0	112.6
2432	T	21.3	Very low	22.4	Very low	134 Å²	134	134.4 Å²	134.4	82%	0.822	80%	0.796	S	S	*	*			trans	-114.3	152.1	-170.6	45.2	0	0	0	0	114.4
2433	N	20.5	Very low	22.5	Very low	141 Å²	141	134.9 Å²	134.9	75%	0.754	79%	0.79	S	S	*	*			trans	75.5	131	153.5	-82	-26.5	0	0	0	122.6
2434	T	21.7	Very low	22.4	Very low	124 Å²	124	129.8 Å²	129.8	76%	0.761	78%	0.776	S	S	*	*			trans	76.9	131.1	140.1	52.8	0	0	0	0	122.5
2435	T	19.6	Very low	22.6	Very low	129 Å²	129	128.3 Å²	128.3	79%	0.791	77%	0.774	S	S	*	*			trans	89.2	106.6	145.5	-55.6	0	0	0	0	119.4
2436	F	25.2	Very low	22.7	Very low	194 Å²	194	124.7 Å²	124.7	85%	0.851	76%	0.76	S	S	*	*			trans	-49.5	160.6	155.3	-63.6	-89.1	0	0	0	112.2
2437	P	23.5	Very low	22.8	Very low	108 Å²	108	126.9 Å²	126.9	70%	0.701	76%	0.764	S	S	*	*			cis	-154.4	-177.9	38	36.9	-12.2	0	0	0	119.5
2438	T	20.6	Very low	23	Very low	124 Å²	124	131.6 Å²	131.6	76%	0.761	78%	0.776	S	S	*	*			trans	79	155.8	148.6	10.2	0	0	0	0	122.7
2439	C	19.9	Very low	23.1	Very low	111 Å²	111	130.8 Å²	130.8	75%	0.75	78%	0.775	S	S	*	*			trans	76	92.2	152.5	-68.5	0	0	0	0	121.4
2440	V	21.2	Very low	23.2	Very low	142 Å²	142	128.9 Å²	128.9	86%	0.861	77%	0.773	S	S	*	*				39.1	116.8	119.6	-175.8	0	0	0	0	119.1
2441	A	21.6	Very low	23.2	Very low	95 Å²	95	128.8 Å²	128.8	79%	0.785	77%	0.768	S	S	*	*			trans	-153	129.3	142.5	0	0	0	0	0	110.6
2442	V	24.2	Very low	23.3	Very low	133 Å²	133	130.1 Å²	130.1	81%	0.806	76%	0.76	S	S	*	*			trans	-144.1	130.8	175.7	175.6	0	0	0	0	110
2443	P	24.8	Very low	23.4	Very low	113 Å²	113	132.6 Å²	132.6	73%	0.734	76%	0.761	S	S	*	*			trans	-111.3	118.1	152.2	10.7	10.1	0	0	0	109.5
2444	S	24.4	Very low	23.6	Very low	88 Å²	88	131.1 Å²	131.1	62%	0.615	76%	0.762	S	S	*	*				59.5	105.3	76.9	75	0	0	0	0	111.9
2445	N	26.9	Very low	23.6	Very low	142 Å²	142	130.2 Å²	130.2	76%	0.759	77%	0.767	S	S	*	*				-164.7	155.9	74.5	-76.9	-24	0	0	0	110.4
2446	T	27.5	Very low	23.7	Very low	103 Å²	103	129.3 Å²	129.3	63%	0.632	77%	0.766	S	S	*	*			cis	-161.8	150.2	-5.3	11.6	0	0	0	0	110.1
2447	N	24.3	Very low	23.7	Very low	137 Å²	137	125.5 Å²	125.5	73%	0.733	76%	0.763	S	S	*	*			trans	57	125.2	154.4	-50.9	-16.1	0	0	0	118.2
2448	Q	27.6	Very low	23.7	Very low	196 Å²	196	125.3 Å²	125.3	92%	0.916	77%	0.765	S	S	*	*			cis	-133.6	174.7	31.7	-68.7	178.4	74.9	0	0	113.1
2449	V	23	Very low	23.9	Very low	119 Å²	119	124 Å²	124	72%	0.721	76%	0.76	S	S	*	*			trans	-138.7	174.5	-157.5	-166.2	0	0	0	0	111.1
2450	L	23.9	Very low	24.3	Very low	157 Å²	157	126 Å²	126	82%	0.822	76%	0.756	S	S	*	*			trans	91.3	138.8	164.8	-61.5	120.3	0	0	0	117.3
2451	N	23.2	Very low	24.5	Very low	135 Å²	135	125.8 Å²	125.8	72%	0.722	75%	0.75	S	S	*	*			cis	-154.8	161.2	-29.6	-156.1	4.8	0	0	0	111
2452	V	24.8	Very low	24.7	Very low	108 Å²	108	127.2 Å²	127.2	66%	0.655	75%	0.751	S	S	*	*			trans	-64.2	149.3	174.2	-168.1	0	0	0	0	111.3
2453	H	23.6	Very low	24.7	Very low	185 Å²	185	127 Å²	127	86%	0.856	74%	0.744	S	S	*	*			trans	-160.1	151.5	132.9	-104.7	82.5	0	0	0	110.6
2454	S	24.3	Very low	24.8	Very low	111 Å²	111	127.1 Å²	127.1	78%	0.776	75%	0.745	S	S	*	*			trans	-129.1	121	177.5	-57.4	0	0	0	0	109.7
2455	A	22	Very low	24.8	Very low	105 Å²	105	127.1 Å²	127.1	87%	0.868	75%	0.745	S	S	*	*			trans	-154.9	145.4	176	0	0	0	0	0	114
2456	S	22.1	Very low	24.7	Very low	109 Å²	109	127.7 Å²	127.7	76%	0.762	75%	0.748	S	S	*	*			trans	-66.1	154.1	-177.6	-47.2	0	0	0	0	116.5
2457	S	24.3	Very low	24.5	Very low	114 Å²	114	127.6 Å²	127.6	80%	0.797	75%	0.752	S	S	*	*			trans	80.4	134.7	133.2	74.6	0	0	0	0	122.7
2458	S	24.6	Very low	24.5	Very low	104 Å²	104	128.4 Å²	128.4	73%	0.727	76%	0.756	S	S	*	*			trans	75.2	105	136.7	-152.9	0	0	0	0	121.9
2459	S	24	Very low	24.3	Very low	96 Å²	96	128.3 Å²	128.3	67%	0.671	75%	0.753	S	S	*	*				86	140.7	128.2	-62	0	0	0	0	122.8
2460	K	27.5	Very low	24.4	Very low	153 Å²	153	126.9 Å²	126.9	67%	0.665	75%	0.754	S	S	*	*			trans	80.1	128.9	160.2	-71.8	178.6	174.6	-179.5	0	118.8
2461	L	25.2	Very low	24.4	Very low	138 Å²	138	124.2 Å²	124.2	72%	0.723	75%	0.748	S	S	*	*			trans	-70	166.2	-177.3	-63.2	151.5	0	0	0	112.3	I2463	L2461-I2463 HydrophobicContact CB-CG1 4.47Å; L2461-I2463 HydrophobicContact CD1-CD1 4.16Å; L2461-I2463 HydrophobicContact CD1-CG1 4.25Å; L2461-I2463 HydrophobicContact CD2-CG1 4.19Å
2462	P	27.1	Very low	24.5	Very low	126 Å²	126	124.9 Å²	124.9	82%	0.818	75%	0.751	S	S	*	*				-122.2	159.8	97	36.2	-34.7	0	0	0	114.4
2463	I	24.7	Very low	24.4	Very low	127 Å²	127	126 Å²	126	65%	0.651	75%	0.753	S	S	*	*			trans	-102.8	144.3	179.8	-65.5	166.7	0	0	0	109.1	L2461	L2461-I2463 HydrophobicContact CB-CG1 4.47Å; L2461-I2463 HydrophobicContact CD1-CD1 4.16Å; L2461-I2463 HydrophobicContact CD1-CG1 4.25Å; L2461-I2463 HydrophobicContact CD2-CG1 4.19Å
2464	P	25.4	Very low	24.4	Very low	117 Å²	117	128.4 Å²	128.4	76%	0.76	76%	0.755	S	S	*	*			trans	-125.6	120.8	131.6	4.2	17	0	0	0	112.9
2465	S	24.1	Very low	24.2	Very low	87 Å²	87	132.2 Å²	132.2	61%	0.608	76%	0.758	S	S	*	*			trans	51.3	108.4	138.3	-48.4	0	0	0	0	120.8
2466	N	24.7	Very low	24.3	Very low	154 Å²	154	134.3 Å²	134.3	82%	0.824	75%	0.753	S	S	*	*			trans	71.7	115.3	143.3	-44.1	-13.1	0	0	0	116.7
2467	S	25.1	Very low	24.3	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	76%	0.755	S	S	*	*			cis	-155.9	145.8	2	-61.7	0	0	0	0	110.5
2468	N	24.5	Very low	24.3	Very low	154 Å²	154	136.3 Å²	136.3	82%	0.824	76%	0.755	S	S	*	*			trans	34.2	97.6	163.5	-60.4	-5.5	0	0	0	117.7
2469	F	23.1	Very low	24.1	Very low	194 Å²	194	136.6 Å²	136.6	85%	0.851	76%	0.757	S	S	*	*				65.1	144	50.4	-77.3	-88.9	0	0	0	117.6
2470	A	24.3	Very low	24.2	Very low	89 Å²	89	137.5 Å²	137.5	74%	0.736	76%	0.764	S	S	*	*			trans	67.7	104.5	175.8	0	0	0	0	0	115
2471	S	24.7	Very low	24	Very low	101 Å²	101	137.2 Å²	137.2	71%	0.706	77%	0.77	S	S	*	*			cis	68.1	110.6	14.7	-31.7	0	0	0	0	116.4
2472	L	23.9	Very low	24	Very low	149 Å²	149	137.7 Å²	137.7	78%	0.78	77%	0.771	S	S	*	*			trans	62.2	125.8	145.3	-62.7	166.7	0	0	0	120.7
2473	N	23	Very low	23.8	Very low	130 Å²	130	136 Å²	136	70%	0.695	76%	0.763	S	S	*	*			trans	55.5	102.3	138.3	-60.8	-17.8	0	0	0	119.4
2474	R	23.6	Very low	23.8	Very low	236 Å²	236	136.2 Å²	136.2	89%	0.891	77%	0.77	S	S	*	*				-159.9	141	112.7	-118.2	154.6	-69.3	-166.5	3	114.8
2475	F	21.5	Very low	23.9	Very low	192 Å²	192	136.4 Å²	136.4	84%	0.842	77%	0.771	S	S	*	*			trans	-61.7	130.1	151.8	-76.5	-113.9	0	0	0	109.1
2476	I	22.9	Very low	23.9	Very low	148 Å²	148	138.9 Å²	138.9	76%	0.759	78%	0.778	S	S	*	*			trans	-138.4	126.8	138.3	-63.4	-171.5	0	0	0	107.2
2477	V	21.7	Very low	24	Very low	134 Å²	134	137 Å²	137	81%	0.812	77%	0.774	S	S	*	*			trans	-88.2	123.3	172.1	173.9	0	0	0	0	108.6
2478	T	24.3	Very low	23.8	Very low	131 Å²	131	139.5 Å²	139.5	80%	0.804	78%	0.777	S	S	*	*			trans	-145.9	136.6	159.9	30.2	0	0	0	0	110.6
2479	S	21.3	Very low	23.7	Very low	110 Å²	110	137.3 Å²	137.3	77%	0.769	77%	0.773	S	S	*	*			trans	-94.5	147.3	-176	50.3	0	0	0	0	112.9
2480	S	25.3	Very low	23.7	Very low	116 Å²	116	134.4 Å²	134.4	81%	0.811	77%	0.772	S	S	*	*			trans	-176.5	106.7	141.7	-83.7	0	0	0	0	115.5
2481	N	23.5	Very low	23.6	Very low	147 Å²	147	134 Å²	134	79%	0.786	77%	0.768	S	S	*	*				47.3	140.1	119.9	-92	-4	0	0	0	125.3
2482	I	25.2	Very low	23.5	Very low	147 Å²	147	136.2 Å²	136.2	75%	0.754	78%	0.777	S	S	*	*			trans	80.8	151.1	146.1	-62.6	157.9	0	0	0	118.4
2483	S	23.8	Very low	23.4	Very low	92 Å²	92	134.5 Å²	134.5	64%	0.643	77%	0.773	S	S	*	*				174.5	121.7	-62.8	-86.4	0	0	0	0	113.5
2484	T	25.1	Very low	23.4	Very low	131 Å²	131	133.7 Å²	133.7	80%	0.804	78%	0.777	S	S	*	*			trans	64.8	163.1	157.7	71.9	0	0	0	0	117.5
2485	P	26	Very low	23.4	Very low	120 Å²	120	128.3 Å²	128.3	78%	0.779	77%	0.774	S	S	*	*				-140.7	172.8	71.1	38.7	-20.6	0	0	0	116.8
2486	N	23.8	Very low	23.5	Very low	140 Å²	140	124 Å²	124	75%	0.749	77%	0.768	S	S	*	*			trans	-103.6	166.3	174	-65.5	-16.6	0	0	0	112.6
2487	P	26.7	Very low	23.6	Very low	115 Å²	115	122.4 Å²	122.4	75%	0.747	77%	0.766	S	S	*	*				-105.8	140.3	130	35.5	-30	0	0	0	109.9
2488	I	22.2	Very low	23.8	Very low	153 Å²	153	126.5 Å²	126.5	79%	0.785	77%	0.766	S	S	*	*			cis	67.9	123.7	46.9	-54.9	170.2	0	0	0	110.2
2489	C	21.9	Very low	23.9	Very low	108 Å²	108	125.3 Å²	125.3	73%	0.73	76%	0.755	S	S	*	*			cis	-134.4	178.9	3.6	-134.8	0	0	0	0	109.2
2490	T	23.5	Very low	24.2	Very low	134 Å²	134	126.9 Å²	126.9	82%	0.822	75%	0.75	S	S	*	*				-161	145.9	54.9	-54.9	0	0	0	0	110.5
2491	A	21.6	Very low	24.2	Very low	79 Å²	79	125.6 Å²	125.6	65%	0.653	74%	0.737	S	S	*	*			trans	-97.8	149.3	177.4	0	0	0	0	0	112.5
2492	V	22.4	Very low	24.3	Very low	149 Å²	149	123 Å²	123	90%	0.903	74%	0.736	S	S	*	*			trans	-126.7	131.4	153.5	-176.2	0	0	0	0	107.9
2493	T	22.4	Very low	24.3	Very low	113 Å²	113	123.4 Å²	123.4	69%	0.693	74%	0.739	S	S	*	*			trans	-100.2	174.8	-173.6	-37	0	0	0	0	110.7
2494	S	23.6	Very low	24.5	Very low	112 Å²	112	124.5 Å²	124.5	78%	0.783	74%	0.744	S	S	*	*			trans	97.5	139.8	170.8	-42.6	0	0	0	0	114.8
2495	C	21.9	Very low	24.6	Very low	123 Å²	123	125 Å²	125	83%	0.831	75%	0.747	S	S	*	*			cis	163.5	138.4	-27.5	-104.4	0	0	0	0	105.9
2496	S	24.7	Very low	24.5	Very low	102 Å²	102	126.1 Å²	126.1	71%	0.713	75%	0.746	S	S	*	*			trans	115.9	88.9	173	-171.6	0	0	0	0	112.2
2497	T	24.3	Very low	24.7	Very low	115 Å²	115	125.1 Å²	125.1	71%	0.706	74%	0.744	S	S	*	*				69.1	140.8	66.1	73	0	0	0	0	115.4
2498	R	25.3	Very low	24.6	Very low	220 Å²	220	125.2 Å²	125.2	83%	0.83	74%	0.743	S	S	*	*			trans	83.7	140.5	178.6	-55.4	-156	135.7	97.2	2.3	114.4
2499	D	26.6	Very low	24.7	Very low	106 Å²	106	126.1 Å²	126.1	57%	0.567	74%	0.742	S	S	*	*			cis	174.2	154.8	-6.6	-101	-40.3	0	0	0	103.2
2500	H	28.1	Very low	25	Very low	143 Å²	143	128 Å²	128	66%	0.662	75%	0.745	S	S	*	*			cis	-152.6	154.9	11.7	-85	-42.1	0	0	0	111.3
2501	V	26.1	Very low	25.1	Very low	88 Å²	88	126.5 Å²	126.5	53%	0.533	73%	0.73	S	S	.	*			trans	49.9	129.7	138.2	-177.9	0	0	0	0	121.4
2502	A	25.4	Very low	25.4	Very low	94 Å²	94	132.2 Å²	132.2	78%	0.777	74%	0.74	S	S	*	*			trans	-119.1	161.8	161.4	0	0	0	0	0	111
2503	L	25.5	Very low	25.5	Very low	154 Å²	154	132 Å²	132	81%	0.806	73%	0.734	S	S	*	*			trans	-163.8	130.1	167	-109.9	168.7	0	0	0	111.8
2504	P	26.8	Very low	25.9	Very low	115 Å²	115	133.9 Å²	133.9	75%	0.747	75%	0.745	S	S	*	*			trans	-97.9	158.1	165.7	37.2	-32.3	0	0	0	112
2505	V	26.8	Very low	26	Very low	143 Å²	143	134.9 Å²	134.9	87%	0.867	74%	0.737	S	S	*	*			trans	-139.3	142.6	168.6	-174.4	0	0	0	0	110.3
2506	D	25.1	Very low	26.2	Very low	143 Å²	143	137.2 Å²	137.2	77%	0.765	73%	0.73	S	S	*	*			trans	-104.2	-158.2	-176.2	-179.3	22.9	0	0	0	110.4
2507	V	27.8	Very low	26.4	Very low	118 Å²	118	138.1 Å²	138.1	72%	0.715	74%	0.736	S	S	*	*			trans	97.7	114	156.5	-168.7	0	0	0	0	116.3
2508	T	24.4	Very low	26.5	Very low	118 Å²	118	139.8 Å²	139.8	72%	0.724	74%	0.74	S	S	*	*			trans	-76.9	154.4	170.7	-32.2	0	0	0	0	112.4
2509	K	25.2	Very low	26.8	Very low	172 Å²	172	135.9 Å²	135.9	75%	0.748	74%	0.741	S	S	*	*			trans	76.7	135.3	174.4	-44.2	167.6	-170	175.1	0	112.3
2510	D	27.7	Very low	26.9	Very low	148 Å²	148	136 Å²	136	79%	0.791	75%	0.75	S	S	*	*				-156.6	177.5	51.2	-128	-34.8	0	0	0	115.9
2511	I	25.1	Very low	26.9	Very low	102 Å²	102	136.1 Å²	136.1	52%	0.523	76%	0.755	S	S	.	*			trans	-78.4	136.3	-168.9	-55.3	159.3	0	0	0	113.4	A2022	A2022-I2511 HydrophobicContact CB-CD1 3.74Å
2512	K	28.1	Very low	27.1	Very low	198 Å²	198	137.6 Å²	137.6	86%	0.861	77%	0.766	S	S	*	*				-179.4	149.7	129.1	-100.5	156.5	-170.9	173.5	0	116.7
2513	N	25.6	Very low	27.3	Very low	144 Å²	144	138 Å²	138	77%	0.77	76%	0.759	S	S	*	*			trans	-64.8	149.5	172.9	-32.5	-10.5	0	0	0	112.3
2514	V	29.9	Very low	27.5	Very low	154 Å²	154	140.1 Å²	140.1	93%	0.933	77%	0.765	S	S	*	*				-144.9	162.1	123.8	172.7	0	0	0	0	107.3
2515	E	25	Very low	27.4	Very low	132 Å²	132	141.9 Å²	141.9	62%	0.617	76%	0.763	S	S	*	*			trans	-130.2	174.9	-158.7	-166	-177	164	0	0	111.3
2516	Y	27	Very low	27.6	Very low	173 Å²	173	141.3 Å²	141.3	68%	0.678	76%	0.763	S	S	*	*			trans	76.8	150.1	174.3	-60.6	-76.4	0	0	0	117
2517	S	28.5	Very low	27.7	Very low	120 Å²	120	138.3 Å²	138.3	84%	0.839	75%	0.752	S	S	*	*			cis	-123.5	151.2	17.7	-57	0	0	0	0	116.1
2518	L	26.9	Very low	27.9	Very low	151 Å²	151	140.7 Å²	140.7	79%	0.791	76%	0.76	S	S	*	*			trans	-107.9	147.4	174.9	-76.8	163.8	0	0	0	111.5
2519	T	31	Very low	27.8	Very low	138 Å²	138	141.3 Å²	141.3	85%	0.847	76%	0.763	S	S	*	*			trans	177.9	138.2	151.3	15.4	0	0	0	0	108.9
2520	S	29.7	Very low	28	Very low	109 Å²	109	138.2 Å²	138.2	76%	0.762	76%	0.763	S	S	*	*			cis	-163.5	156.6	-17.1	38.9	0	0	0	0	111.7
2521	L	28.2	Very low	28	Very low	144 Å²	144	136.7 Å²	136.7	75%	0.754	76%	0.76	S	S	*	*			trans	-36.5	172.7	173.1	-88.4	66.8	0	0	0	118.7	T2523	L2521-T2523 WeakPolarHBondContact CD2-OG1 3.43Å; L2521-T2523 WeakPolarHBondContact CG-OG1 3.42Å
2522	P	30.5	Very low	28	Very low	119 Å²	119	143 Å²	143	77%	0.773	78%	0.777	S	S	*	*			cis	-121.9	165.2	18.7	39.9	-25.2	0	0	0	115.5
2523	T	28.1	Very low	27.9	Very low	102 Å²	102	137.9 Å²	137.9	63%	0.626	76%	0.764	S	S	*	*			cis	90.6	103.8	25.8	-54.2	0	0	0	0	115.9	L2521	L2521-T2523 WeakPolarHBondContact CD2-OG1 3.43Å; L2521-T2523 WeakPolarHBondContact CG-OG1 3.42Å
2524	E	29.5	Very low	27.9	Very low	199 Å²	199	137.4 Å²	137.4	93%	0.93	77%	0.766	S	S	*	*			trans	-146.1	151.3	138.2	-85.6	-136.2	114.6	0	0	109.7
2525	Q	26.2	Very low	27.7	Very low	152 Å²	152	135.9 Å²	135.9	71%	0.71	75%	0.753	S	S	*	*			trans	-159.4	144.8	-175.8	176.8	-173.1	-8	0	0	109.1	S2527	Q2525-S2527 PolarHBondContact NE2-OG 3.43Å
2526	P	30.5	Very low	27.9	Very low	132 Å²	132	135.3 Å²	135.3	86%	0.857	76%	0.76	S	S	*	*			trans	-136.2	132.6	137.9	23	-3.9	0	0	0	114
2527	S	26.1	Very low	27.8	Very low	79 Å²	79	132.3 Å²	132.3	55%	0.552	76%	0.764	S	S	*	*			trans	-87.2	159.8	164	-54.7	0	0	0	0	110.5	Q2525	Q2525-S2527 PolarHBondContact NE2-OG 3.43Å
2528	I	32.3	Very low	27.7	Very low	169 Å²	169	130 Å²	130	87%	0.867	76%	0.76	S	S	*	*				-173.6	128.9	119.4	39.9	-156.1	0	0	0	115.1
2529	T	23.8	Very low	27.7	Very low	130 Å²	130	129.9 Å²	129.9	80%	0.798	77%	0.766	S	S	*	*			trans	-49.5	152.1	161.6	48	0	0	0	0	117.7
2530	S	27.5	Very low	27.5	Very low	107 Å²	107	129.5 Å²	129.5	75%	0.748	76%	0.763	S	S	*	*			trans	-164.1	111.6	130.8	-146	0	0	0	0	117.3
2531	T	27.6	Very low	27.6	Very low	117 Å²	117	132.4 Å²	132.4	72%	0.718	77%	0.768	S	S	*	*			trans	44.5	121.1	132.9	63.5	0	0	0	0	125.6
2532	R	25.2	Very low	27.5	Very low	233 Å²	233	129 Å²	129	88%	0.879	76%	0.761	S	S	*	*			trans	68.5	162.6	132.6	-90.6	-166.2	151	-145.9	-2	120.7
2533	P	27	Very low	27.5	Very low	92 Å²	92	130.4 Å²	130.4	60%	0.597	76%	0.762	S	S	*	*				-140	-172.3	-52.3	36.8	-15.9	0	0	0	114.4
2534	V	25.4	Very low	27.5	Very low	133 Å²	133	134.3 Å²	134.3	81%	0.806	77%	0.771	S	S	*	*			trans	62.8	155.3	168.2	-114.4	0	0	0	0	115.6
2535	N	26	Very low	27.6	Very low	123 Å²	123	134.9 Å²	134.9	66%	0.658	77%	0.77	S	S	*	*			cis	-149.8	134	7.4	-175.6	24.9	0	0	0	111.6	S2537	N2535-S2537 PolarHBondContact O-N 2.98Å; N2535-S2537 VanDerWaalsContact O-N 3.15Å
2536	P	28	Very low	27.7	Very low	120 Å²	120	133.5 Å²	133.5	78%	0.779	77%	0.772	S	S	*	*			trans	-82.7	86.5	178.5	33	-36.1	0	0	0	113.4
2537	S	25.6	Very low	27.6	Very low	109 Å²	109	134 Å²	134	76%	0.762	77%	0.773	S	S	*	*			trans	-160.1	130.4	160.3	-74.9	0	0	0	0	108.6	N2535	N2535-S2537 PolarHBondContact O-N 2.98Å; N2535-S2537 VanDerWaalsContact O-N 3.15Å
2538	G	26.1	Very low	27.8	Very low	73 Å²	73	134 Å²	134	75%	0.753	78%	0.777	S	S	*	*			trans	-106.3	177	-171.7	0	0	0	0	0	114.6
2539	T	28	Very low	27.5	Very low	148 Å²	148	131.5 Å²	131.5	91%	0.908	77%	0.772	S	S	*	*			trans	-153.1	146.4	161.7	13	0	0	0	0	111.3
2540	T	26.7	Very low	27.8	Very low	129 Å²	129	130.3 Å²	130.3	79%	0.791	78%	0.775	S	S	*	*			trans	-72.8	140.4	178.2	-46.5	0	0	0	0	112.1
2541	I	31.2	Very low	28	Very low	170 Å²	170	132.3 Å²	132.3	87%	0.872	78%	0.778	S	S	*	*			trans	-131.1	130	152.4	-55.8	-178.9	0	0	0	107.8
2542	A	27.1	Very low	28.1	Very low	72 Å²	72	134 Å²	134	60%	0.595	78%	0.782	S	S	*	*			trans	-125.4	179.4	178.5	0	0	0	0	0	110.6
2543	N	28.7	Very low	28.6	Very low	149 Å²	149	132 Å²	132	80%	0.797	78%	0.782	S	S	*	*			trans	68.7	118.1	176.5	-67.3	-18.6	0	0	0	117.8
2544	K	29.4	Very low	28.7	Very low	185 Å²	185	134.4 Å²	134.4	80%	0.804	79%	0.79	S	S	*	*				-161.6	78.5	113.3	-108.6	-178.5	-168.3	-62.6	0	112.7
2545	F	31.2	Very low	29.2	Very low	211 Å²	211	135.9 Å²	135.9	93%	0.925	79%	0.794	S	S	*	*			trans	-146.1	94	146.8	-84.1	-63.6	0	0	0	108.8
2546	T	29.3	Very low	29.6	Very low	122 Å²	122	136.5 Å²	136.5	75%	0.748	80%	0.797	S	S	*	*			trans	-83	117.2	178.2	-58.2	0	0	0	0	109.3	A2548	T2546-A2548 PolarHBondContact O-N 3.49Å
2547	V	28.6	Very low	29.9	Very low	144 Å²	144	136.4 Å²	136.4	87%	0.873	80%	0.796	S	S	*	*			trans	-77.5	106.7	162.5	-176.4	0	0	0	0	107.3
2548	A	28.5	Very low	30	Very low	78 Å²	78	133.9 Å²	133.9	65%	0.645	79%	0.787	S	S	*	*			trans	-88.4	134	176.9	0	0	0	0	0	110.3	T2546 A2550	T2546-A2548 PolarHBondContact O-N 3.49Å; A2548-A2550 PolarHBondContact O-N 2.92Å
2549	P	27.1	Very low	30.8	Very low	116 Å²	116	136.5 Å²	136.5	75%	0.753	79%	0.791	S	S	*	*			trans	-76.8	115.8	173.6	30.6	-31.7	0	0	0	109.9	N2551	P2549-N2551 PolarHBondContact O-N 3.39Å
2550	A	29.7	Very low	31.3	Very low	105 Å²	105	135.3 Å²	135.3	87%	0.868	79%	0.786	S	S	*	*			trans	-79.4	96.1	168.9	0	0	0	0	0	109	A2548	A2548-A2550 PolarHBondContact O-N 2.92Å
2551	N	32.2	Very low	31.5	Very low	150 Å²	150	137.3 Å²	137.3	80%	0.802	79%	0.788	S	S	*	*			trans	-75.8	160.6	171.2	-97.6	-7.8	0	0	0	111.6	P2549	P2549-N2551 PolarHBondContact O-N 3.39Å
2552	L	29.3	Very low	31.8	Very low	153 Å²	153	135.9 Å²	135.9	80%	0.801	78%	0.781	S	S	*	*			trans	-78.3	129.9	178.9	-167	81.6	0	0	0	110.9
2553	E	35.3	Very low	32.2	Very low	190 Å²	190	137.5 Å²	137.5	89%	0.888	79%	0.785	S	S	*	*			trans	-157.4	117.8	161.9	-109.8	156.7	165.5	0	0	109.4
2554	D	30.3	Very low	32.3	Very low	142 Å²	142	137.8 Å²	137.8	76%	0.759	78%	0.781	S	S	*	*			trans	-78.2	138	174.2	-64.3	-110.2	0	0	0	111.2
2555	D	33.9	Very low	32.4	Very low	165 Å²	165	136 Å²	136	88%	0.882	78%	0.778	S	S	*	*			trans	-168.2	143.3	135.6	-126.3	-47.4	0	0	0	112
2556	D	34.8	Very low	32.6	Very low	135 Å²	135	131.3 Å²	131.3	72%	0.722	77%	0.768	S	S	*	*			trans	-124.7	129	171.9	165.4	45.5	0	0	0	109.4	G2558	D2556-G2558 PolarHBondContact OD1-N 3.48Å
2557	P	34.4	Very low	32.6	Very low	119 Å²	119	128.9 Å²	128.9	77%	0.773	77%	0.767	S	S	*	*			trans	-142	102.8	137.8	33.2	-16.8	0	0	0	114.5
2558	G	29.1	Very low	32.9	Very low	55 Å²	55	127.4 Å²	127.4	57%	0.567	76%	0.761	S	S	*	*				73	122.3	114.3	0	0	0	0	0	119.9	D2556	D2556-G2558 PolarHBondContact OD1-N 3.48Å
2559	P	41.5	Very low	33.1	Very low	128 Å²	128	130.8 Å²	130.8	83%	0.831	77%	0.768	S	S	*	*			trans	-94.7	157.3	179.5	37.2	-35.6	0	0	0	114.7
2560	P	38.2	Very low	33.2	Very low	123 Å²	123	132.6 Å²	132.6	80%	0.799	77%	0.767	S	S	*	*			trans	-106.1	123.2	166.6	35	-27.5	0	0	0	114.3
2561	M	32.3	Very low	33.6	Very low	172 Å²	172	135.7 Å²	135.7	85%	0.847	77%	0.767	S	S	*	*			trans	28.7	130.3	148.3	-66.9	-177.7	165.4	0	0	121.9
2562	I	36.7	Very low	33.6	Very low	140 Å²	140	135.6 Å²	135.6	72%	0.718	76%	0.762	S	S	*	*			cis	70.6	124.4	46.8	-56	167.6	0	0	0	110.1
2563	P	35.9	Very low	33.9	Very low	105 Å²	105	137.5 Å²	137.5	68%	0.682	77%	0.767	S	S	*	*				-157.4	150.6	68.6	42.3	-20.8	0	0	0	121.3
2564	H	29.9	Very low	34	Very low	156 Å²	156	132.4 Å²	132.4	72%	0.722	76%	0.757	S	S	*	*			trans	71.3	155.4	133.4	-74.5	24.9	0	0	0	119.1
2565	M	31.4	Very low	34.6	Very low	147 Å²	147	131.3 Å²	131.3	72%	0.724	76%	0.758	S	S	*	*			cis	-161.9	-173.9	-2.9	-105.2	-98.8	156.3	0	0	107.8
2566	P	35.8	Very low	35.6	Very low	113 Å²	113	129.2 Å²	129.2	73%	0.734	75%	0.753	S	S	*	*				-134.7	178.7	-79.2	41.4	-22.4	0	0	0	115.9
2567	G	30.2	Very low	36.1	Very low	70 Å²	70	129 Å²	129	72%	0.722	76%	0.759	S	S	*	*			trans	111.3	160.9	140.2	0	0	0	0	0	118.5
2568	P	35.2	Very low	36.3	Very low	114 Å²	114	134.4 Å²	134.4	74%	0.74	76%	0.764	S	S	*	*			trans	-132.8	154.8	-152.2	39.3	-21.9	0	0	0	116.8
2569	N	31.9	Very low	37.2	Very low	149 Å²	149	137.1 Å²	137.1	80%	0.797	77%	0.772	S	S	*	*				-171.6	166.5	120.6	-108.9	-64.4	0	0	0	114.7
2570	Q	30.1	Very low	37.1	Very low	154 Å²	154	137 Å²	137	72%	0.72	77%	0.771	S	S	*	*			trans	-67	148.3	-171.3	-54.1	170.5	69.3	0	0	115.3
2571	L	36.6	Very low	36.8	Very low	169 Å²	169	142.2 Å²	142.2	89%	0.885	78%	0.775	S	S	*	*			trans	-163.2	153	134.7	-109.3	169.4	0	0	0	111.3
2572	H	32.7	Very low	37.1	Very low	149 Å²	149	143.1 Å²	143.1	69%	0.69	78%	0.777	S	S	*	*			trans	-103.2	137.9	-172.9	-67.2	73.4	0	0	0	112.6
2573	Q	36.1	Very low	37	Very low	192 Å²	192	144.9 Å²	144.9	90%	0.897	78%	0.782	S	S	*	*			trans	173.4	152.1	156.3	-98.4	148.3	99.4	0	0	109.4
2574	A	37.2	Very low	36.6	Very low	84 Å²	84	148.7 Å²	148.7	69%	0.694	78%	0.782	S	S	*	*			cis	-162.9	150.7	-23.6	0	0	0	0	0	109.2
2575	P	41.8	Very low	36.8	Very low	118 Å²	118	146.9 Å²	146.9	77%	0.766	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-79.4	157.5	174.4	32.8	-34.6	0	0	0	112.8
2576	P	56	Low	36.5	Very low	122 Å²	122	148.8 Å²	148.8	79%	0.792	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-66.8	153.6	-175.7	26.2	-34.6	0	0	0	114.1
2577	P	44.5	Very low	36.2	Very low	130 Å²	130	148.1 Å²	148.1	84%	0.844	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-78.6	148.4	-164.1	30.7	-36.5	0	0	0	115
2578	R	38.6	Very low	36.3	Very low	232 Å²	232	149.9 Å²	149.9	88%	0.875	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-94.4	139.6	175.3	179	-179.4	-75.7	-179.4	-5.2	110.9
2579	P	47.8	Very low	35.8	Very low	112 Å²	112	149.7 Å²	149.7	73%	0.727	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-61.2	154.7	176.9	-25.4	35.2	0	0	0	114.6
2580	P	40.7	Very low	35.8	Very low	125 Å²	125	149.4 Å²	149.4	81%	0.812	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-74.8	142.2	-170.3	-16.5	32.1	0	0	0	114.5
2581	R	30.9	Very low	35.7	Very low	234 Å²	234	149.8 Å²	149.8	88%	0.883	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-81.4	117.4	162.6	-99.4	-179.4	168.6	164	-4	109.6
2582	Q	39.4	Very low	35.3	Very low	191 Å²	191	145 Å²	145	89%	0.893	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-84.1	144.6	163.3	-72.6	-169.6	-13.5	0	0	110.9
2583	H	34.5	Very low	35.1	Very low	177 Å²	177	144.5 Å²	144.5	82%	0.819	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-94.2	148.9	-177.5	-84.3	-127.2	0	0	0	112
2584	R	28	Very low	34.7	Very low	184 Å²	184	143.6 Å²	143.6	69%	0.694	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-95.4	133.5	179.2	176.1	-175.8	-173	-179.4	4.3	111.4	Y2586	R2584-Y2586 PolarHBondContact NH1-OH 2.83Å; R2584-Y2586 VanDerWaalsContact NH2-CE1 3.34Å
2585	P	33.3	Very low	34.3	Very low	118 Å²	118	144 Å²	144	77%	0.766	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-94.4	153	154.2	33.7	-27.5	0	0	0	111.7
2586	Y	24.5	Very low	33.7	Very low	188 Å²	188	143.8 Å²	143.8	74%	0.737	80%	0.801	S	S	*	*			trans	-112	138.2	169.1	-86.4	-93.2	0	0	0	109	R2584	R2584-Y2586 PolarHBondContact NH1-OH 2.83Å; R2584-Y2586 VanDerWaalsContact NH2-CE1 3.34Å
2587	A	30.7	Very low	32.5	Very low	98 Å²	98	144.5 Å²	144.5	81%	0.81	80%	0.798	S	S	*	*			trans	-160.9	136.7	160	0	0	0	0	0	112.6
2588	A	31.6	Very low	31.9	Very low	108 Å²	108	144.9 Å²	144.9	89%	0.893	79%	0.793	S	S	*	*			trans	52.3	151	149.2	0	0	0	0	0	122.5
2589	S	25.5	Very low	31.4	Very low	110 Å²	110	141.1 Å²	141.1	77%	0.769	79%	0.79	S	S	*	*			trans	-106.1	154.6	171.9	174.4	0	0	0	0	110.2
2590	V	32	Very low	30.8	Very low	142 Å²	142	141.6 Å²	141.6	86%	0.861	79%	0.792	S	S	*	*			trans	-176	158	138.3	141.2	0	0	0	0	110.3
2591	I	27	Very low	30.2	Very low	162 Å²	162	138.8 Å²	138.8	83%	0.831	79%	0.786	S	S	*	*			trans	-89.7	146.8	-171.6	-63.9	160.8	0	0	0	112
2592	G	29.6	Very low	30.1	Very low	69 Å²	69	137 Å²	137	71%	0.711	79%	0.788	S	S	*	*			trans	-157.1	162.8	174.5	0	0	0	0	0	112.2
2593	V	28.5	Very low	29.3	Very low	139 Å²	139	132.4 Å²	132.4	84%	0.842	78%	0.782	S	S	*	*			trans	-130.4	129.3	-158.1	-167.1	0	0	0	0	114.8
2594	H	25.9	Very low	28.9	Very low	173 Å²	173	129.4 Å²	129.4	80%	0.801	78%	0.781	S	S	*	*			trans	17	122.8	151.5	-161.6	-85.5	0	0	0	122
2595	A	29.3	Very low	28.6	Very low	93 Å²	93	129.3 Å²	129.3	77%	0.769	79%	0.79	S	S	*	*				-176.3	151.1	129.8	0	0	0	0	0	114.7
2596	T	28.8	Very low	28.3	Very low	112 Å²	112	128.6 Å²	128.6	69%	0.687	79%	0.794	S	S	*	*			trans	-61.3	158.8	-174.8	48.2	0	0	0	0	118.8
2597	N	31.6	Very low	28.3	Very low	138 Å²	138	126.9 Å²	126.9	74%	0.738	80%	0.803	S	S	*	*				-175.6	135.3	113.4	-89.4	6.9	0	0	0	114.8
2598	D	32.1	Very low	28.1	Very low	137 Å²	137	127.9 Å²	127.9	73%	0.733	81%	0.805	S	S	*	*			trans	43.7	121.3	151.4	-56	-51.2	0	0	0	126.5
2599	L	28.7	Very low	27.8	Very low	154 Å²	154	125.8 Å²	125.8	81%	0.806	79%	0.793	S	S	*	*			trans	-3.9	167.2	137.8	-83.7	69.6	0	0	0	121.8
2600	P	34.9	Very low	27.9	Very low	121 Å²	121	127.5 Å²	127.5	79%	0.786	80%	0.799	S	S	*	*			cis	-141.3	164.9	-29.1	37.6	-20.5	0	0	0	115.5
2601	G	27.6	Very low	27.5	Very low	66 Å²	66	127.9 Å²	127.9	68%	0.68	80%	0.796	S	S	*	*			trans	120.4	148	150.3	0	0	0	0	0	117.2
2602	H	28.7	Very low	27.5	Very low	198 Å²	198	126.2 Å²	126.2	92%	0.917	79%	0.794	S	S	*	*			trans	68.2	117.7	-178.5	-63.7	-89.8	0	0	0	118.3
2603	A	22.3	Very low	27.2	Very low	93 Å²	93	127.4 Å²	127.4	77%	0.769	79%	0.791	S	S	*	*			trans	28.2	127.4	144.4	0	0	0	0	0	121.5
2604	S	26.5	Very low	27.2	Very low	114 Å²	114	127.8 Å²	127.8	80%	0.797	79%	0.788	S	S	*	*			trans	142.3	154.7	131.7	-65.8	0	0	0	0	114.2
2605	M	22.2	Very low	27.1	Very low	182 Å²	182	126.6 Å²	126.6	90%	0.897	79%	0.786	S	S	*	*			trans	-55.9	140.3	176.1	-54.8	152.4	-76	0	0	113.5
2606	A	25.6	Very low	27	Very low	103 Å²	103	127.8 Å²	127.8	85%	0.851	79%	0.785	S	S	*	*			trans	-152.3	137.8	150.1	0	0	0	0	0	111
2607	V	25.2	Very low	26.9	Very low	152 Å²	152	128 Å²	128	92%	0.921	78%	0.782	S	S	*	*			trans	-112.4	129.1	171.5	172.9	0	0	0	0	108.5
2608	S	26.8	Very low	26.5	Very low	120 Å²	120	129.9 Å²	129.9	84%	0.839	79%	0.789	S	S	*	*			trans	-160.5	139.4	151.4	-162.9	0	0	0	0	109.8
2609	G	24.8	Very low	26.3	Very low	63 Å²	63	129.1 Å²	129.1	65%	0.649	79%	0.785	S	S	*	*			trans	-99.1	-167.1	-175.7	0	0	0	0	0	113.9
2610	T	27.7	Very low	26.2	Very low	146 Å²	146	129.6 Å²	129.6	90%	0.896	78%	0.783	S	S	*	*			trans	-155.4	147.9	159.1	-9.4	0	0	0	0	109.6
2611	N	23.9	Very low	25.8	Very low	150 Å²	150	128.4 Å²	128.4	80%	0.802	78%	0.783	S	S	*	*			trans	-76	140.4	179	-61.5	-67	0	0	0	110.9
2612	V	27.8	Very low	25.7	Very low	128 Å²	128	132 Å²	132	78%	0.776	79%	0.786	S	S	*	*			trans	-121	89.7	156.6	-178.5	0	0	0	0	107.8	L2614	V2612-L2614 HydrophobicContact CG1-CD1 4Å; V2612-L2614 HydrophobicContact CG1-CG 3.93Å
2613	S	22.5	Very low	25.6	Very low	93 Å²	93	128.7 Å²	128.7	65%	0.65	78%	0.782	S	S	*	*			trans	-81.8	117.8	162.2	-179.1	0	0	0	0	107.9
2614	L	29	Very low	25.8	Very low	148 Å²	148	130.1 Å²	130.1	78%	0.775	78%	0.777	S	S	*	*			trans	-120.2	96.4	166.3	-78	173.4	0	0	0	108.4	V2612 P2616	V2612-L2614 HydrophobicContact CG1-CD1 4Å; V2612-L2614 HydrophobicContact CG1-CG 3.93Å; L2614-P2616 VanDerWaalsContact C-CD 3.41Å; L2614-P2616 WeakPolarHBondContact O-CD 3.49Å
2615	I	23.7	Very low	25.8	Very low	148 Å²	148	132.6 Å²	132.6	76%	0.759	78%	0.781	S	S	*	*			trans	-95.9	93.2	161.7	-58.9	172	0	0	0	107	N2617	I2615-N2617 VanDerWaalsContact C-N 3.26Å; I2615-N2617 PolarHBondContact O-N 3.37Å
2616	P	27.1	Very low	26	Very low	118 Å²	118	127.7 Å²	127.7	77%	0.766	78%	0.777	S	S	*	*			trans	-75.9	85.7	163	31.7	-32.4	0	0	0	109	L2614	L2614-P2616 VanDerWaalsContact C-CD 3.41Å; L2614-P2616 WeakPolarHBondContact O-CD 3.49Å
2617	N	26.1	Very low	25.9	Very low	115 Å²	115	129.1 Å²	129.1	62%	0.615	78%	0.775	S	S	*	*			trans	0.1	115.7	155	-179.4	3.3	0	0	0	116	I2615 N2619	I2615-N2617 VanDerWaalsContact C-N 3.26Å; I2615-N2617 PolarHBondContact O-N 3.37Å; N2617-N2619 PolarHBondContact O-N 2.99Å; N2617-N2619 PolarHBondContact OD1-ND2 3.29Å
2618	M	23.7	Very low	25.8	Very low	178 Å²	178	127.8 Å²	127.8	88%	0.877	77%	0.767	S	S	*	*			trans	-60.5	101.5	169.4	-70.2	-170.3	-67.3	0	0	111.1
2619	N	26.6	Very low	25.6	Very low	121 Å²	121	127.5 Å²	127.5	65%	0.647	76%	0.76	S	S	*	*			trans	-150.7	123.4	167	-99.9	-72.6	0	0	0	112.8	N2617	N2617-N2619 PolarHBondContact O-N 2.99Å; N2617-N2619 PolarHBondContact OD1-ND2 3.29Å
2620	Q	27.7	Very low	25.5	Very low	165 Å²	165	131.2 Å²	131.2	77%	0.771	77%	0.766	S	S	*	*			trans	71.8	95.7	162.6	-53.7	-162.9	102.3	0	0	119.7
2621	A	26.9	Very low	25.3	Very low	95 Å²	95	129.8 Å²	129.8	79%	0.785	76%	0.757	S	S	*	*				67.8	110.3	118.9	0	0	0	0	0	121.5
2622	L	25.8	Very low	25.3	Very low	143 Å²	143	129.2 Å²	129.2	75%	0.749	75%	0.753	S	S	*	*				-9.2	149.2	126	-100.2	71.6	0	0	0	116.9
2623	P	26.4	Very low	25.1	Very low	128 Å²	128	129 Å²	129	83%	0.831	75%	0.752	S	S	*	*				-141.9	175.1	62.9	40.2	-23	0	0	0	118.3
2624	N	25.8	Very low	25.2	Very low	123 Å²	123	127.9 Å²	127.9	66%	0.658	76%	0.755	S	S	*	*			trans	-79.4	174.8	-176.8	-60.3	-21.3	0	0	0	114.5
2625	N	26.1	Very low	25.1	Very low	165 Å²	165	127.8 Å²	127.8	88%	0.882	76%	0.755	S	S	*	*			trans	77.4	126	157.2	-63.1	-4.8	0	0	0	118.3
2626	G	27.2	Very low	25.3	Very low	79 Å²	79	127.2 Å²	127.2	81%	0.814	75%	0.753	S	S	*	*			trans	151.9	113	172.7	0	0	0	0	0	110.9
2627	T	23.9	Very low	25.3	Very low	134 Å²	134	128.1 Å²	128.1	82%	0.822	75%	0.749	S	S	*	*			trans	-107.4	141.9	-164.2	-27	0	0	0	0	113.6
2628	V	23.3	Very low	25.6	Very low	123 Å²	123	129.1 Å²	129.1	75%	0.745	75%	0.754	S	S	*	*			trans	70.1	147.8	163.5	-142.2	0	0	0	0	118.9
2629	T	22.6	Very low	25.8	Very low	114 Å²	114	129.1 Å²	129.1	70%	0.699	75%	0.752	S	S	*	*			trans	86.5	102.7	148	16.9	0	0	0	0	121.5
2630	N	22.2	Very low	25.9	Very low	142 Å²	142	128.5 Å²	128.5	76%	0.759	75%	0.754	S	S	*	*				100.5	129.4	111.5	-116.9	-4.5	0	0	0	122.5
2631	V	22.9	Very low	25.9	Very low	116 Å²	116	127.3 Å²	127.3	70%	0.703	75%	0.753	S	S	*	*			trans	61.4	155.5	154.3	-119.8	0	0	0	0	122.9
2632	N	23.7	Very low	26.2	Very low	138 Å²	138	128.5 Å²	128.5	74%	0.738	75%	0.752	S	S	*	*			trans	73.4	121.5	163.6	-74.8	-3.5	0	0	0	118.3
2633	V	23.6	Very low	26.3	Very low	123 Å²	123	127.2 Å²	127.2	75%	0.745	75%	0.751	S	S	*	*			cis	82.1	123.3	45.9	175.9	0	0	0	0	112.5	L2635	V2633-L2635 HydrophobicContact CG1-CD1 3.92Å; V2633-L2635 HydrophobicContact CG1-CG 4.18Å
2634	G	26	Very low	26.4	Very low	69 Å²	69	124.3 Å²	124.3	71%	0.711	74%	0.744	S	S	*	*			trans	147.3	69	-175.4	0	0	0	0	0	109.9
2635	L	25.3	Very low	26.4	Very low	147 Å²	147	124.4 Å²	124.4	77%	0.77	75%	0.754	S	S	*	*				65.3	157.1	71.8	-66.2	173.8	0	0	0	114.7	V2633	V2633-L2635 HydrophobicContact CG1-CD1 3.92Å; V2633-L2635 HydrophobicContact CG1-CG 4.18Å
2636	N	28	Very low	26.4	Very low	136 Å²	136	120.3 Å²	120.3	73%	0.727	74%	0.743	S	S	*	*			trans	79.3	135	164.5	-78.8	-2.4	0	0	0	118.1
2637	M	27.3	Very low	26.4	Very low	136 Å²	136	122.6 Å²	122.6	67%	0.67	74%	0.741	S	S	*	*			cis	-159.7	169.2	-6.3	-150	149.9	44.8	0	0	112.4
2638	N	32.5	Very low	26.5	Very low	136 Å²	136	122.9 Å²	122.9	73%	0.727	74%	0.738	S	S	*	*			trans	78.1	139.9	169.6	-43.6	-35.6	0	0	0	115.8
2639	Q	28.4	Very low	26.8	Very low	179 Å²	179	123 Å²	123	84%	0.836	73%	0.733	S	S	*	*			cis	-164.1	-174	-25.7	-135.9	-177.2	6.8	0	0	108.2
2640	P	29.3	Very low	27.1	Very low	107 Å²	107	126.2 Å²	126.2	70%	0.695	74%	0.737	S	S	*	*				-120.6	167.7	-106.3	43	-29.7	0	0	0	118.6
2641	L	26.9	Very low	27.1	Very low	141 Å²	141	124.8 Å²	124.8	74%	0.738	74%	0.739	S	S	*	*			trans	14.5	138	140	-130.1	65.4	0	0	0	120.7	T2643	L2641-T2643 HydrophobicContact CD2-CG2 3.48Å; L2641-T2643 VanDerWaalsContact CD2-CG2 3.48Å; L2641-T2643 HydrophobicContact CG-CG2 3.84Å
2642	P	33.3	Very low	27.3	Very low	120 Å²	120	124.2 Å²	124.2	78%	0.779	75%	0.746	S	S	*	*				-136.3	124.4	91.9	15.3	6.6	0	0	0	114.1
2643	T	27.4	Very low	27.5	Very low	116 Å²	116	122 Å²	122	71%	0.712	74%	0.742	S	S	*	*				73.5	122.8	80.2	60.3	0	0	0	0	118.5	L2641	L2641-T2643 HydrophobicContact CD2-CG2 3.48Å; L2641-T2643 VanDerWaalsContact CD2-CG2 3.48Å; L2641-T2643 HydrophobicContact CG-CG2 3.84Å
2644	G	28.3	Very low	27.6	Very low	67 Å²	67	123.5 Å²	123.5	69%	0.691	75%	0.745	S	S	*	*			trans	146	89.5	160.2	0	0	0	0	0	113.2
2645	S	25.6	Very low	27.6	Very low	124 Å²	124	126.3 Å²	126.3	87%	0.867	75%	0.748	S	S	*	*				70	135	71.5	81.1	0	0	0	0	113.9
2646	A	27.3	Very low	27.7	Very low	79 Å²	79	125.2 Å²	125.2	65%	0.653	75%	0.75	S	S	*	*			cis	-162.7	157.8	20.8	0	0	0	0	0	116.1
2647	T	27.7	Very low	27.5	Very low	127 Å²	127	121.8 Å²	121.8	78%	0.779	74%	0.737	S	S	*	*			trans	62.7	125.8	141.3	48.4	0	0	0	0	123.1
2648	N	25.3	Very low	27.5	Very low	140 Å²	140	123.4 Å²	123.4	75%	0.749	75%	0.746	S	S	*	*				88.3	151.8	67.9	-145.2	16	0	0	0	111.4
2649	I	29.2	Very low	27.2	Very low	125 Å²	125	122.6 Å²	122.6	64%	0.641	74%	0.742	S	S	*	*			cis	-157.7	148.7	27	-18.2	171.8	0	0	0	113.4
2650	K	28.1	Very low	27.1	Very low	182 Å²	182	124.3 Å²	124.3	79%	0.791	75%	0.747	S	S	*	*			trans	62.5	138	157	-73.5	161.2	-176.7	177.6	0	119.2
2651	S	23.4	Very low	26.8	Very low	113 Å²	113	125.4 Å²	125.4	79%	0.79	75%	0.746	S	S	*	*			cis	92.3	144.1	17.8	-49.1	0	0	0	0	117.2
2652	A	27.2	Very low	26.8	Very low	104 Å²	104	127.9 Å²	127.9	86%	0.86	75%	0.753	S	S	*	*			trans	81.3	147.7	175.3	0	0	0	0	0	116.7
2653	S	26.7	Very low	26.4	Very low	92 Å²	92	128.3 Å²	128.3	64%	0.643	75%	0.749	S	S	*	*			cis	-172.9	152.6	-13.9	157.7	0	0	0	0	111.7
2654	N	27.2	Very low	26.4	Very low	153 Å²	153	129.1 Å²	129.1	82%	0.818	75%	0.753	S	S	*	*			trans	74	131.2	159.3	-65.3	-4.9	0	0	0	121.7
2655	V	24.6	Very low	26.2	Very low	128 Å²	128	131.1 Å²	131.1	78%	0.776	75%	0.754	S	S	*	*			trans	-116.3	151.8	163.6	174.5	0	0	0	0	107.7
2656	P	28.8	Very low	26.1	Very low	125 Å²	125	133.6 Å²	133.6	81%	0.812	76%	0.757	S	S	*	*			trans	-127.6	136	147.1	33.2	-21.1	0	0	0	112.8
2657	S	22.5	Very low	26	Very low	64 Å²	64	138.9 Å²	138.9	45%	0.448	77%	0.768	S	S	.	*			trans	-83.5	165.3	177.8	-40.4	0	0	0	0	112.5
2658	I	28.5	Very low	25.9	Very low	169 Å²	169	138.4 Å²	138.4	87%	0.867	77%	0.77	S	S	*	*			trans	-154	142.3	146.7	-106.3	150.4	0	0	0	109.8
2659	N	24.5	Very low	25.9	Very low	120 Å²	120	134.8 Å²	134.8	64%	0.642	77%	0.766	S	S	*	*			trans	-92.1	157.7	-172.2	-56.3	-55.7	0	0	0	112.8
2660	K	26.4	Very low	25.6	Very low	215 Å²	215	135.1 Å²	135.1	94%	0.935	78%	0.776	S	S	*	*				-147.7	145.9	127.7	-122.5	-179.3	-179.9	-171.5	0	112.1
2661	I	24.4	Very low	25.3	Very low	130 Å²	130	131.3 Å²	131.3	67%	0.667	77%	0.772	S	S	*	*			trans	-119.6	143.5	-174.4	-62.1	163.6	0	0	0	107.5
2662	E	26.5	Very low	25.3	Very low	192 Å²	192	133.3 Å²	133.3	90%	0.897	77%	0.772	S	S	*	*			trans	-140.1	130.3	151.5	-164.1	139.7	-144.5	0	0	109.2
2663	N	25.6	Very low	25.1	Very low	129 Å²	129	132.2 Å²	132.2	69%	0.69	76%	0.755	S	S	*	*			trans	-90	175	175.6	-71.2	-39.1	0	0	0	109.1
2664	V	26.2	Very low	24.9	Very low	133 Å²	133	133.7 Å²	133.7	81%	0.806	76%	0.76	S	S	*	*				153.2	150.1	94.6	166.8	0	0	0	0	105.6
2665	P	25	Very low	24.7	Very low	109 Å²	109	134.3 Å²	134.3	71%	0.708	76%	0.756	S	S	*	*			cis	-120.5	169.2	-15.2	34.9	-20.1	0	0	0	114
2666	L	23.6	Very low	24.6	Very low	176 Å²	176	133.6 Å²	133.6	92%	0.921	75%	0.754	S	S	*	*			trans	-95.6	122.7	154.1	-75	92.1	0	0	0	110.9
2667	Q	24.4	Very low	24.4	Very low	191 Å²	191	132.3 Å²	132.3	89%	0.893	74%	0.744	S	S	*	*			trans	-156.3	140.6	154.3	-91	179.3	-0.9	0	0	105.7
2668	S	26.1	Very low	24.6	Very low	116 Å²	116	132.4 Å²	132.4	81%	0.811	74%	0.742	S	S	*	*			cis	-142.9	145.5	7.3	56.5	0	0	0	0	109.2
2669	G	25.3	Very low	24.4	Very low	65 Å²	65	128 Å²	128	67%	0.67	72%	0.723	S	S	*	*				102.9	145.2	90.5	0	0	0	0	0	111.2	S2671	G2669-S2671 PolarHBondContact O-N 3.19Å; G2669-S2671 VanDerWaalsContact O-N 3.07Å
2670	P	22.6	Very low	24.4	Very low	132 Å²	132	126.6 Å²	126.6	86%	0.857	72%	0.715	S	S	*	*			trans	-76.1	100.1	-173.5	30	-34.2	0	0	0	111.5	I2672	P2670-I2672 PolarHBondContact O-N 3.49Å
2671	S	22.6	Very low	24.3	Very low	101 Å²	101	121.2 Å²	121.2	71%	0.706	70%	0.7	S	S	*	*			trans	-71.8	110.7	171.5	-170.4	0	0	0	0	110.2	G2669 V2673	G2669-S2671 PolarHBondContact O-N 3.19Å; G2669-S2671 VanDerWaalsContact O-N 3.07Å; S2671-V2673 VanDerWaalsContact C-N 3.27Å; S2671-V2673 PolarHBondContact O-N 2.98Å
2672	I	21.8	Very low	24.3	Very low	155 Å²	155	120.1 Å²	120.1	80%	0.795	70%	0.699	S	S	*	*			trans	-71.2	88.9	167.2	-58.9	175.5	0	0	0	107.2	P2670 T2674	P2670-I2672 PolarHBondContact O-N 3.49Å; I2672-T2674 PolarHBondContact O-N 3.35Å; I2672-T2674 VanDerWaalsContact O-N 3.1Å
2673	V	22.9	Very low	24.1	Very low	82 Å²	82	116.8 Å²	116.8	50%	0.497	69%	0.693	S	S	.	*			trans	-76.8	94.5	171.7	-178.8	0	0	0	0	108	S2671 F2675	S2671-V2673 VanDerWaalsContact C-N 3.27Å; S2671-V2673 PolarHBondContact O-N 2.98Å; V2673-F2675 VanDerWaalsContact C-N 3.32Å; V2673-F2675 HydrophobicContact CB-CE2 4.44Å; V2673-F2675 HydrophobicContact CB-CZ 4.36Å; V2673-F2675 HydrophobicContact CG1-CD1 4.1Å; V2673-F2675 HydrophobicContact CG1-CE1 3.96Å; V2673-F2675 HydrophobicContact CG1-CE2 4.39Å; V2673-F2675 HydrophobicContact CG1-CG 4.38Å; V2673-F2675 HydrophobicContact CG1-CZ 4.11Å; V2673-F2675 VanDerWaalsContact O-CD2 3.25Å; V2673-F2675 WeakPolarHBondContact O-CD2 3.27Å; V2673-F2675 WeakPolarHBondContact O-CE2 3.32Å; V2673-F2675 PolarHBondContact O-N 3.28Å
2674	T	22.3	Very low	24	Very low	123 Å²	123	117.3 Å²	117.3	76%	0.755	70%	0.695	S	S	*	*			trans	-65.2	95	163.9	-54.4	0	0	0	0	108.1	I2672	I2672-T2674 PolarHBondContact O-N 3.35Å; I2672-T2674 VanDerWaalsContact O-N 3.1Å
2675	F	23.1	Very low	23.9	Very low	166 Å²	166	115.5 Å²	115.5	73%	0.728	69%	0.686	S	S	*	*			trans	-60.2	126.1	176.3	-64.9	-83.4	0	0	0	109.6	V2673 T2677	V2673-F2675 VanDerWaalsContact C-N 3.32Å; V2673-F2675 HydrophobicContact CB-CE2 4.44Å; V2673-F2675 HydrophobicContact CB-CZ 4.36Å; V2673-F2675 HydrophobicContact CG1-CD1 4.1Å; V2673-F2675 HydrophobicContact CG1-CE1 3.96Å; V2673-F2675 HydrophobicContact CG1-CE2 4.39Å; V2673-F2675 HydrophobicContact CG1-CG 4.38Å; V2673-F2675 HydrophobicContact CG1-CZ 4.11Å; V2673-F2675 VanDerWaalsContact O-CD2 3.25Å; V2673-F2675 WeakPolarHBondContact O-CD2 3.27Å; V2673-F2675 WeakPolarHBondContact O-CE2 3.32Å; V2673-F2675 PolarHBondContact O-N 3.28Å; F2675-T2677 PolarHBondContact O-N 3.19Å
2676	P	22.4	Very low	23.9	Very low	112 Å²	112	119.6 Å²	119.6	73%	0.727	69%	0.687	S	S	*	*			trans	-69.1	120.8	174.7	28.1	-32.6	0	0	0	109.1	T2678	P2676-T2678 PolarHBondContact O-N 3.4Å; P2676-T2678 VanDerWaalsContact O-N 3.16Å
2677	T	25.5	Very low	24.1	Very low	99 Å²	99	118.1 Å²	118.1	61%	0.607	69%	0.685	S	S	*	*			trans	-63.4	115.1	168.6	-50	0	0	0	0	108.6	F2675 T2679	F2675-T2677 PolarHBondContact O-N 3.19Å; T2677-T2679 VanDerWaalsContact C-N 3.3Å; T2677-T2679 PolarHBondContact O-N 3.34Å
2678	T	27.1	Very low	24.2	Very low	65 Å²	65	114.6 Å²	114.6	40%	0.399	67%	0.669	S	S	.	*			trans	-74.8	80.5	-178.5	-49.7	0	0	0	0	110.8	P2676 L2680	P2676-T2678 PolarHBondContact O-N 3.4Å; P2676-T2678 VanDerWaalsContact O-N 3.16Å; T2678-L2680 HydrophobicContact CG2-CD2 4.07Å; T2678-L2680 HydrophobicContact CG2-CG 4.28Å; T2678-L2680 PolarHBondContact O-N 3.01Å; T2678-L2680 VanDerWaalsContact O-N 3.08Å
2679	T	24.9	Very low	24.2	Very low	77 Å²	77	114.5 Å²	114.5	47%	0.472	66%	0.659	S	S	.	*			trans	-68.6	102	172.4	-60.2	0	0	0	0	110.2	T2677 T2681	T2677-T2679 VanDerWaalsContact C-N 3.3Å; T2677-T2679 PolarHBondContact O-N 3.34Å; T2679-T2681 PolarHBondContact O-N 3.21Å
2680	L	23.6	Very low	24.3	Very low	90 Å²	90	118 Å²	118	47%	0.471	66%	0.662	S	S	.	*			trans	-85.8	96.5	172.4	-66	179	0	0	0	110.2	T2678 V2682	T2678-L2680 HydrophobicContact CG2-CD2 4.07Å; T2678-L2680 HydrophobicContact CG2-CG 4.28Å; T2678-L2680 PolarHBondContact O-N 3.01Å; T2678-L2680 VanDerWaalsContact O-N 3.08Å; L2680-V2682 HydrophobicContact CB-CG2 4.39Å; L2680-V2682 PolarHBondContact O-N 2.76Å; L2680-V2682 VanDerWaalsContact O-N 3.11Å
2681	T	23.6	Very low	24.4	Very low	103 Å²	103	116.4 Å²	116.4	63%	0.632	65%	0.651	S	S	*	*			trans	-76.4	92	170.2	-52.7	0	0	0	0	109.8	T2679 T2683	T2679-T2681 PolarHBondContact O-N 3.21Å; T2681-T2683 PolarHBondContact O-N 3.03Å
2682	V	24.4	Very low	24.6	Very low	106 Å²	106	118.1 Å²	118.1	64%	0.642	65%	0.648	S	S	*	*			trans	-85.5	99.2	179.4	-175.1	0	0	0	0	110.5	L2680 L2684	L2680-V2682 HydrophobicContact CB-CG2 4.39Å; L2680-V2682 PolarHBondContact O-N 2.76Å; L2680-V2682 VanDerWaalsContact O-N 3.11Å; V2682-L2684 HydrophobicContact CG1-CD1 3.91Å; V2682-L2684 HydrophobicContact CG1-CG 4.25Å; V2682-L2684 PolarHBondContact O-N 3.36Å
2683	T	22.6	Very low	24.9	Very low	123 Å²	123	116.9 Å²	116.9	76%	0.755	64%	0.638	S	S	*	*			trans	-80.2	98.1	168.3	-52.9	0	0	0	0	109.3	T2681	T2681-T2683 PolarHBondContact O-N 3.03Å
2684	L	25.1	Very low	25.1	Very low	140 Å²	140	116 Å²	116	73%	0.733	63%	0.629	S	S	*	*			trans	-68.5	132.1	177.5	-73.9	92.4	0	0	0	111.1	V2682	V2682-L2684 HydrophobicContact CG1-CD1 3.91Å; V2682-L2684 HydrophobicContact CG1-CG 4.25Å; V2682-L2684 PolarHBondContact O-N 3.36Å
2685	P	24.1	Very low	25.4	Very low	95 Å²	95	114.3 Å²	114.3	62%	0.617	62%	0.62	S	S	*	*			trans	-68.7	138	174.7	28.5	-33.8	0	0	0	111.1	T2687	P2685-T2687 PolarHBondContact O-N 2.99Å
2686	R	24.9	Very low	25.5	Very low	194 Å²	194	112.9 Å²	112.9	73%	0.732	61%	0.614	S	S	*	*			trans	-83.1	97.9	-169.9	-166.1	-171.7	-167.5	140.1	4.7	112.2	Q2688	R2686-Q2688 VanDerWaalsContact C-N 3.31Å; R2686-Q2688 HydrophobicContact CG-CB 4.05Å; R2686-Q2688 PolarHBondContact O-N 2.86Å
2687	T	26.3	Very low	25.9	Very low	145 Å²	145	112.5 Å²	112.5	89%	0.89	61%	0.614	S	S	*	*			trans	-69.8	88.2	161.8	50.4	0	0	0	0	109.4	P2685	P2685-T2687 PolarHBondContact O-N 2.99Å
2688	Q	26.7	Very low	25.8	Very low	117 Å²	117	111.8 Å²	111.8	55%	0.547	61%	0.613	S	S	.	*			trans	-90.4	117.9	-170	-171.5	168.6	11.1	0	0	112.7	R2686	R2686-Q2688 VanDerWaalsContact C-N 3.31Å; R2686-Q2688 HydrophobicContact CG-CB 4.05Å; R2686-Q2688 PolarHBondContact O-N 2.86Å
2689	N	26	Very low	25.7	Very low	115 Å²	115	113.5 Å²	113.5	62%	0.615	62%	0.623	S	S	*	*			trans	69.7	148.9	155	-67.6	13.5	0	0	0	116.9
2690	L	27.5	Very low	25.5	Very low	139 Å²	139	114.3 Å²	114.3	73%	0.728	63%	0.632	S	S	*	*			cis	-171	178.8	-16.9	-128.4	42.2	0	0	0	105.6
2691	P	24.2	Very low	25.4	Very low	97 Å²	97	116.6 Å²	116.6	63%	0.63	64%	0.644	S	S	*	*			cis	-127.7	172.3	-2.9	39.8	-23.3	0	0	0	115.8	H2693	P2691-H2693 PolarHBondContact O-N 3.22Å
2692	H	27.8	Very low	25.3	Very low	137 Å²	137	118.3 Å²	118.3	63%	0.634	65%	0.647	S	S	*	*			trans	-63.7	126.3	169.9	-69.2	13.7	0	0	0	112.5
2693	H	28.5	Very low	25.1	Very low	129 Å²	129	114.8 Å²	114.8	60%	0.597	63%	0.626	S	S	*	*			trans	-141.1	78.2	155.5	-92.4	-67.7	0	0	0	114.4	P2691	P2691-H2693 PolarHBondContact O-N 3.22Å
2694	Q	25.8	Very low	25.1	Very low	64 Å²	64	111.4 Å²	111.4	30%	0.299	61%	0.607	S	S	.	*			trans	58.3	149.3	131.6	-68.4	-174.1	-2	0	0	122.1	V2399	V2399-Q2694 HydrophobicContact CG1-CG 4.12Å; V2399-Q2694 HydrophobicContact CG2-CG 4.14Å; V2399-Q2694 PolarHBondContact O-NE2 3.43Å
2695	P	29.9	Very low	25.1	Very low	87 Å²	87	110.9 Å²	110.9	57%	0.565	61%	0.61	S	S	*	*			trans	-93.2	165.1	-172.4	38.8	-37.3	0	0	0	114
2696	K	25.5	Very low	25.1	Very low	136 Å²	136	110.5 Å²	110.5	59%	0.591	60%	0.602	S	S	*	*			trans	-146.4	146.1	156.8	-104.6	-178.1	178.1	-171.2	0	110.8
2697	S	29.8	Very low	25.1	Very low	104 Å²	104	107 Å²	107	73%	0.727	60%	0.604	S	S	*	*			trans	-130.1	150.5	-167.7	55.6	0	0	0	0	113.6
2698	S	24.7	Very low	25.2	Very low	85 Å²	85	103.1 Å²	103.1	59%	0.594	58%	0.583	S	S	*	*			trans	-159.4	90.9	154	32.7	0	0	0	0	108.8
2699	V	23.8	Very low	25.1	Very low	101 Å²	101	105.1 Å²	105.1	61%	0.612	60%	0.597	S	S	*	*				78.5	106.1	85.9	172.1	0	0	0	0	113.5	M2344	M2344-V2699 HydrophobicContact CE-CB 4.42Å; M2344-V2699 HydrophobicContact CE-CG1 4.01Å; M2344-V2699 HydrophobicContact SD-CB 3.67Å; M2344-V2699 HydrophobicContact SD-CG1 3.57Å; M2344-V2699 VanDerWaalsContact SD-CG1 3.57Å; M2344-V2699 HydrophobicContact SD-CG2 4.49Å
2700	S	21.5	Very low	25.1	Very low	93 Å²	93	104.9 Å²	104.9	65%	0.65	60%	0.6	S	S	*	*				177.4	117.2	127.8	-78	0	0	0	0	112.8
2701	N	21.1	Very low	25	Very low	138 Å²	138	103.9 Å²	103.9	74%	0.738	60%	0.599	S	S	*	*			trans	46.3	140.1	143.1	-63.3	-5.7	0	0	0	123.3
2702	M	21	Very low	25	Very low	139 Å²	139	106.7 Å²	106.7	69%	0.685	60%	0.604	S	S	*	*			trans	76.4	111.1	154.3	-66.4	174	-59.3	0	0	119.8
2703	T	21.2	Very low	24.8	Very low	33 Å²	33	107 Å²	107	20%	0.202	61%	0.609	C	S	.	*				94.4	119.6	129.1	-57.2	0	0	0	0	122.1	M1718 Q1719 S1720	M1718-T2703 VanDerWaalsContact C-OG1 3.28Å; M1718-T2703 WeakPolarHBondContact O-CB 3.13Å; M1718-T2703 PolarHBondContact O-OG1 3.35Å; M1718-T2703 HydrophobicContact SD-CG2 4.32Å; Q1719-T2703 VanDerWaalsContact CA-OG1 3.26Å; Q1719-T2703 WeakPolarHBondContact CA-OG1 3.27Å; S1720-T2703 VanDerWaalsContact N-CG2 3.26Å; S1720-T2703 PolarHBondContact N-OG1 3.35Å; S1720-T2703 WeakPolarHBondContact OG-CA 2.9Å
2704	S	22.2	Very low	24.6	Very low	51 Å²	51	105 Å²	105	36%	0.357	61%	0.61	S	S	.	*			trans	15.7	112.1	144.7	172.8	0	0	0	0	118.8
2705	T	25.5	Very low	24.6	Very low	129 Å²	129	107.8 Å²	107.8	79%	0.791	63%	0.631	S	S	*	*			trans	-149.4	147.9	144.6	0.9	0	0	0	0	110.8
2706	I	24.3	Very low	24.3	Very low	88 Å²	88	108.2 Å²	108.2	45%	0.451	64%	0.636	S	S	.	*			trans	-99.3	130.1	179.1	-60.6	170.5	0	0	0	108.4	S2708	I2706-S2708 PolarHBondContact O-N 3.42Å
2707	P	24.7	Very low	24.2	Very low	119 Å²	119	108.2 Å²	108.2	77%	0.773	65%	0.647	S	S	*	*			trans	-70.1	101.7	173.2	29.1	-33.2	0	0	0	110
2708	S	27.1	Very low	23.9	Very low	65 Å²	65	109.8 Å²	109.8	46%	0.455	65%	0.648	S	S	.	*			trans	-84.7	111.2	172.4	-60.3	0	0	0	0	109.3	I2706 V2710	I2706-S2708 PolarHBondContact O-N 3.42Å; S2708-V2710 VanDerWaalsContact C-N 3.33Å; S2708-V2710 PolarHBondContact O-N 3.43Å
2709	N	25.1	Very low	23.9	Very low	158 Å²	158	111.2 Å²	111.2	85%	0.845	66%	0.655	S	S	*	*			trans	-70.1	85.5	176	-79.6	-12	0	0	0	111.1
2710	V	26.2	Very low	23.9	Very low	111 Å²	111	111.6 Å²	111.6	67%	0.673	67%	0.669	S	S	*	*			trans	-97.7	102.1	163.8	-178.6	0	0	0	0	107.8	S2708 H2712	S2708-V2710 VanDerWaalsContact C-N 3.33Å; S2708-V2710 PolarHBondContact O-N 3.43Å; V2710-H2712 PolarHBondContact O-N 3.3Å; V2710-H2712 VanDerWaalsContact O-N 3.1Å
2711	V	24.3	Very low	24.1	Very low	118 Å²	118	112.4 Å²	112.4	72%	0.715	67%	0.674	S	S	*	*			trans	-77.2	96.5	176.4	179.8	0	0	0	0	108.7	L2713	V2711-L2713 HydrophobicContact CG1-CD1 4.1Å; V2711-L2713 HydrophobicContact CG1-CG 4.06Å; V2711-L2713 PolarHBondContact O-N 3.43Å
2712	H	25.1	Very low	24.4	Very low	156 Å²	156	111 Å²	111	72%	0.722	68%	0.675	S	S	*	*			trans	-79.2	84.3	178.1	-152.6	-77.5	0	0	0	110.4	V2710 S2714	V2710-H2712 PolarHBondContact O-N 3.3Å; V2710-H2712 VanDerWaalsContact O-N 3.1Å; H2712-S2714 PolarHBondContact ND1-OG 3.14Å; H2712-S2714 PolarHBondContact O-N 3.04Å
2713	L	24.2	Very low	24.5	Very low	144 Å²	144	110.5 Å²	110.5	75%	0.754	68%	0.679	S	S	*	*			trans	-72.7	73.9	175	-92	155.3	0	0	0	111	V2711 T2715	V2711-L2713 HydrophobicContact CG1-CD1 4.1Å; V2711-L2713 HydrophobicContact CG1-CG 4.06Å; V2711-L2713 PolarHBondContact O-N 3.43Å; L2713-T2715 PolarHBondContact O-N 3.19Å
2714	S	23.8	Very low	24.8	Very low	86 Å²	86	115.4 Å²	115.4	60%	0.601	71%	0.709	S	S	*	*			trans	-70.1	91	173.7	-60.8	0	0	0	0	111.1	H2712 S2716	H2712-S2714 PolarHBondContact ND1-OG 3.14Å; H2712-S2714 PolarHBondContact O-N 3.04Å; S2714-S2716 VanDerWaalsContact C-N 3.34Å; S2714-S2716 PolarHBondContact O-N 3.46Å
2715	T	24.9	Very low	25.1	Very low	123 Å²	123	119.1 Å²	119.1	76%	0.755	73%	0.725	S	S	*	*			trans	-72.8	84.9	171.1	48.3	0	0	0	0	111	L2713 V2717	L2713-T2715 PolarHBondContact O-N 3.19Å; T2715-V2717 PolarHBondContact O-N 3.08Å
2716	S	23.8	Very low	25.1	Very low	95 Å²	95	119 Å²	119	66%	0.664	73%	0.727	S	S	*	*			trans	-70.3	106	171.6	55.1	0	0	0	0	110.6	S2714 N2718	S2714-S2716 VanDerWaalsContact C-N 3.34Å; S2714-S2716 PolarHBondContact O-N 3.46Å; S2716-N2718 VanDerWaalsContact C-N 3.33Å; S2716-N2718 PolarHBondContact O-N 3.15Å
2717	V	24	Very low	25.3	Very low	136 Å²	136	122.2 Å²	122.2	82%	0.824	74%	0.744	S	S	*	*			trans	-77.8	81.6	178	-172.6	0	0	0	0	109.8	T2715 P2719	T2715-V2717 PolarHBondContact O-N 3.08Å; V2717-P2719 WeakPolarHBondContact O-CD 3.13Å
2718	N	23.6	Very low	25.4	Very low	138 Å²	138	125.7 Å²	125.7	74%	0.738	75%	0.749	S	S	*	*			trans	-67.8	120	173.9	-87	-18.2	0	0	0	110.4	S2716 A2720	S2716-N2718 VanDerWaalsContact C-N 3.33Å; S2716-N2718 PolarHBondContact O-N 3.15Å; N2718-A2720 PolarHBondContact O-N 3.44Å
2719	P	24.5	Very low	25.5	Very low	115 Å²	115	128.6 Å²	128.6	75%	0.747	77%	0.77	S	S	*	*			trans	-74.2	121.6	176.3	29.9	-33	0	0	0	110.4	V2717 S2721	V2717-P2719 WeakPolarHBondContact O-CD 3.13Å; P2719-S2721 PolarHBondContact O-N 2.75Å; P2719-S2721 VanDerWaalsContact O-N 3.12Å
2720	A	23.7	Very low	25.7	Very low	109 Å²	109	124 Å²	124	90%	0.901	76%	0.76	S	S	*	*			trans	-71.2	104.7	-176.5	0	0	0	0	0	112.7	N2718	N2718-A2720 PolarHBondContact O-N 3.44Å
2721	S	26.3	Very low	26	Very low	110 Å²	110	124.1 Å²	124.1	77%	0.769	77%	0.766	S	S	*	*			trans	-90.1	103.8	172.5	63.6	0	0	0	0	112.3	P2719	P2719-S2721 PolarHBondContact O-N 2.75Å; P2719-S2721 VanDerWaalsContact O-N 3.12Å
2722	S	26.7	Very low	26.2	Very low	107 Å²	107	126.8 Å²	126.8	75%	0.748	77%	0.77	S	S	*	*			trans	11.1	114.9	158	57.7	0	0	0	0	119.6
2723	V	23.8	Very low	26.5	Very low	129 Å²	129	126.2 Å²	126.2	78%	0.782	77%	0.771	S	S	*	*			trans	-55.2	141.3	159.9	176.1	0	0	0	0	111.9
2724	T	27.7	Very low	26.8	Very low	136 Å²	136	124 Å²	124	83%	0.834	77%	0.767	S	S	*	*			trans	-148	146.6	148.7	-58	0	0	0	0	109.9
2725	N	27.2	Very low	27	Very low	129 Å²	129	125.9 Å²	125.9	69%	0.69	78%	0.776	S	S	*	*			trans	-78.4	161.1	-165.7	-75.7	-35.4	0	0	0	116
2726	P	26.9	Very low	27.3	Very low	127 Å²	127	126.1 Å²	126.1	83%	0.825	78%	0.777	S	S	*	*			trans	-66.9	152.1	167.3	30.3	-36.5	0	0	0	112.4
2727	I	27	Very low	27.8	Very low	156 Å²	156	135 Å²	135	80%	0.8	80%	0.803	S	S	*	*			trans	-122.8	117.3	176.8	-59.9	176.1	0	0	0	110
2728	Q	27.9	Very low	28	Very low	192 Å²	192	134.9 Å²	134.9	90%	0.897	80%	0.802	S	S	*	*			trans	157.8	138.3	151.9	-91.7	170.9	23.6	0	0	107.4
2729	S	29.4	Very low	28.2	Very low	126 Å²	126	134.7 Å²	134.7	88%	0.881	81%	0.806	S	S	*	*			cis	-154.4	166.8	1	-171.5	0	0	0	0	109.5
2730	G	27.8	Very low	28.4	Very low	62 Å²	62	135.8 Å²	135.8	64%	0.639	81%	0.809	S	S	*	*			trans	129.5	105.7	160.8	0	0	0	0	0	118.2
2731	S	32.5	Very low	28.7	Very low	113 Å²	113	137.4 Å²	137.4	79%	0.79	80%	0.804	S	S	*	*			trans	60.2	95.4	136.9	-56.9	0	0	0	0	123.1
2732	Q	28.8	Very low	28.9	Very low	173 Å²	173	139.1 Å²	139.1	81%	0.808	81%	0.806	S	S	*	*				67.2	153.3	119.4	-65.1	-158.5	23	0	0	123.4
2733	I	32.9	Very low	29	Very low	145 Å²	145	141.3 Å²	141.3	74%	0.744	81%	0.81	S	S	*	*			trans	69	91.4	165.5	-58.4	139.5	0	0	0	113.9
2734	S	29.4	Very low	29.4	Very low	97 Å²	97	142.1 Å²	142.1	68%	0.678	81%	0.812	S	S	*	*				82.3	117.7	63.1	-64.6	0	0	0	0	115.1
2735	T	27.5	Very low	29.5	Very low	126 Å²	126	142.6 Å²	142.6	77%	0.773	81%	0.81	S	S	*	*			trans	51.4	135.1	139.5	60.8	0	0	0	0	119.6
2736	T	32.5	Very low	29.7	Very low	128 Å²	128	143.8 Å²	143.8	79%	0.785	82%	0.82	S	S	*	*			cis	-168.1	130.7	19.6	-6.2	0	0	0	0	111.3
2737	K	34.1	Very low	30	Very low	280 Å²	280	145.3 Å²	145.3	100%	1.217	82%	0.819	S	S	*	*				-173.8	0	124.2	-113.4	-178	177.8	178.4	0	111.8

Retrieved 2,737 of 2,737 residues in 2603.1 ms (Link to these results)

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