A0A5K4FBZ6_SCHMA Loading...

ATP-grasp domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBZ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,496 aa.

						>A0A5K4FBZ6_SCHMA|A0A5K4FBZ6
MRILFRKKLTPLVTNFQVNVNNSCESYDVKTSDNLENTKSCKVEYTNSTEKDIVSDSQSSSLDDNSPSHLLPIHNNEKNNLIKGKNDENKLNEDLSCLTEPNLYEKENASNHFNNESLINTTKCLNEPKLKRHENYSLETVEKINKIISDKREFIKEVSQTHDSKLFNFPIIKNNENRLLRRIKTERHCNNVQFNIIEKNCQLSTERLKIAKDEVDEAIKSRKIFSILGPYNRIRKALRTRGWIEKFDVNIGPPGQTTQESKKTIRSITNVKTVRNSNSSSNDTTLEDSEDGDSDDDVNAVNEEKQRVQPWEEDNGYYGLLSRMVRSELPRFIWSLRKNQVDFHNLQKDQIINHHSGAPFTTKVGLCKQLRQIRWFADCNADYFFPRCFIISEEEDRQSFINDFRLTACLSIVKMIANLISDVNQLDSFVVRSNPEIVYDMNNVGETNENVNATKNSNVLEIEGSPNIDLSRENSLSFLNNTISYKKVWNINLAPSDLLNSFEIPDEIIEFSIFQCQEFLKTKYHEDLDKSSKHSFSSEYPWDKFLSWYYQIIKMPHLLVTAKHLSSHCQYLCKLLKKYCPQFDMDGVRNVWIVKPGAKSRGRGIVCHDRLDNILKIVQGSVFLTESRYIVQKYIERPLLIYKTKFDIRQWFLITDWAPLTVWWYQDCYLRFCSQEFTLNDFSESIHLCNNCIQHKYKNGPRSSKLPDENMWTWEQFQTWLTEQGQPNLWTEKIQPAMKNAVLNVLLSSQESIEPRKNCFGLYGADFLLTDNDYRIWLIEINSSPCMSPSTSVTAVYTASVLEDTLKVVLDKKYNRNSDVGRFELLYRQPFHNPSTMYTGMELYVIGSKISKPQLENTTVLRCFNKATLDFNGQSLPNPEVKVMSTIGRDKKNMSPIVLLVHERQTKSQTRKEIKPSNTGDEYERTTEIAKGMNGLLPPMKCGKFPTDNQSTMNINIDNPVKHLQSVKETRKSSRSKSCKYENELKICNVSTVLKSVKNIRYLTGLESSVCLSKYNDDISHDDNLLKSSRSESYLKSSLEELDKSRPLINCPGISSVKDSSTSNLNQSKLRLMNKGELNQYTEYETYNNTNLYSSHQSIHGKNKNSQSSSLLLPKIYKNQNSESNIKLVSLNLNRSISSNKIKRLSLKLEQHRNEKLNVDTIHNTTLSNFISTQANSIRYLHEKELSKRQSHFEKIIIDKNKQLINRPNKLPTIGKIKSASSHQSLTHQSTLIVDQLDTNYIRKIPTYKNYIDKIKLNIIQFNEGDSHLKHIHHEKSNHNKLYKHIQKRCIILRRMKKIRKSPAIRRKSLTCQSQSKLSKVLIVNQRLADTTMKDNSLMNLNEVYNCRKLKDSSDKNTNNDKNTDSILNNLNASHYDVAINSSDSITLDSNDPNEISKIITSSPKSSLKQSSTDSGFDDEISTQSKTFLPLDNLSSVTINRNNSYDKAISNGISLCSFINSSKMFVNCRNTDDTKFHRYNINDKFNLKFLSRIAND
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	34.1	Very low	191 Å²	191	130 Å²	130	94%	0.941	61%	0.609	S	S	*	*				0	-94.3	0	-62.4	-43.6	-166.1	0	0	114.5	I3 L4	M1-I3 PolarHBondContact O-N 2.79Å; M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 3.12Å
2	R	31.8	Very low	33.7	Very low	119 Å²	119	130.3 Å²	130.3	45%	0.449	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.3	-6.7	-164.9	-104.2	-177	171.7	-147.7	-4.9	118.3	S280 N282	R2-S280 WeakPolarHBondContact CB-O 2.96Å; R2-S280 VanDerWaalsContact CD-O 3.31Å; R2-S280 WeakPolarHBondContact CD-O 3.26Å; R2-S280 WeakPolarHBondContact CD-OG 3.3Å; R2-N282 VanDerWaalsContact NH1-CB 3.33Å; R2-N282 VanDerWaalsContact NH1-CG 3.34Å; R2-N282 PolarHBondContact NH1-OD1 3.14Å; R2-N282 VanDerWaalsContact NH2-CG 3.32Å; R2-N282 PolarHBondContact NH2-OD1 3.36Å
3	I	34.8	Very low	33.4	Very low	125 Å²	125	128.3 Å²	128.3	64%	0.641	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-13.5	172.5	-68.1	170.7	0	0	0	112	M1	M1-I3 PolarHBondContact O-N 2.79Å
4	L	36.9	Very low	33.2	Very low	136 Å²	136	127.7 Å²	127.7	71%	0.712	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-29.1	179.5	-70.4	166.4	0	0	0	113.2	M1 R6	M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 3.12Å; L4-R6 PolarHBondContact O-N 3.07Å
5	F	35.6	Very low	32.9	Very low	157 Å²	157	126 Å²	126	69%	0.689	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	35.1	178.7	-117.1	-82.2	0	0	0	113.9	D1472	F5-D1472 VanDerWaalsContact CE1-OD1 3.32Å; F5-D1472 WeakPolarHBondContact CE1-OD1 3.33Å; F5-D1472 WeakPolarHBondContact CE1-OD2 3.16Å; F5-D1472 WeakPolarHBondContact CZ-OD2 3.14Å
6	R	37.5	Very low	32.7	Very low	148 Å²	148	128.8 Å²	128.8	56%	0.558	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.6	15.1	-172.7	-107.4	174.5	176.5	-164.4	-10.4	114.6	L4 N278	L4-R6 PolarHBondContact O-N 3.07Å; R6-N278 PolarHBondContact NH1-OD1 3.35Å
7	K	29.4	Very low	32.5	Very low	183 Å²	183	130.4 Å²	130.4	80%	0.796	64%	0.635	S	S	*	*			trans	-150.5	155.4	173.4	-86.3	-168.6	174.9	-175.1	0	109.2
8	K	32.8	Very low	32.4	Very low	171 Å²	171	128.9 Å²	128.9	74%	0.743	63%	0.634	S	S	*	*			trans	67.6	152.6	-142.6	-60.2	-175.5	176.1	-176.6	0	109.7	D1473	K8-D1473 WeakPolarHBondContact CB-OD2 3.5Å
9	L	33.4	Very low	32.3	Very low	94 Å²	94	129.9 Å²	129.9	49%	0.492	64%	0.642	S	S	.	*			cis	-150.6	175.3	-27.9	-96.8	170.2	0	0	0	104.1	D1473 T1474	L9-D1473 HydrophobicContact CB-CB 3.72Å; L9-D1473 PolarHBondContact N-OD1 2.92Å; L9-D1473 VanDerWaalsContact N-OD1 3.14Å; L9-D1473 PolarHBondContact N-OD2 2.64Å; L9-T1474 HydrophobicContact CB-CG2 3.82Å; L9-T1474 WeakPolarHBondContact O-CA 3.42Å
10	T	34.1	Very low	32.2	Very low	44 Å²	44	128.8 Å²	128.8	27%	0.27	64%	0.643	S	S	.	*			cis	76.9	119.4	-6.2	-31.7	0	0	0	0	119.5	K1475	T10-K1475 WeakPolarHBondContact OG1-CE 3.45Å; T10-K1475 PolarHBondContact OG1-NZ 2.64Å
11	P	33.5	Very low	32.1	Very low	62 Å²	62	128.7 Å²	128.7	40%	0.403	65%	0.645	S	S	.	*				-138.6	179.2	120.1	41.8	-26.3	0	0	0	111.5	F1476	P11-F1476 WeakPolarHBondContact O-CE2 3.17Å
12	L	29.8	Very low	31.8	Very low	134 Å²	134	126.8 Å²	126.8	70%	0.702	64%	0.638	S	S	*	*			trans	59.3	87.4	168.2	-50.9	179.8	0	0	0	115.6	F1476	L12-F1476 WeakPolarHBondContact O-CE2 3.28Å; L12-F1476 WeakPolarHBondContact O-CZ 3.12Å
13	V	29	Very low	31.7	Very low	104 Å²	104	126.6 Å²	126.6	63%	0.63	66%	0.655	S	S	*	*			cis	56.8	133.4	28.6	-163.6	0	0	0	0	110.1
14	T	30.4	Very low	31.2	Very low	120 Å²	120	126.4 Å²	126.4	74%	0.736	66%	0.664	S	S	*	*			cis	-111.2	178	18.8	48.3	0	0	0	0	112.6
15	N	29.4	Very low	30.8	Very low	102 Å²	102	128.3 Å²	128.3	55%	0.545	67%	0.669	S	S	.	*			cis	-162.9	-179.8	-20.4	-97.3	4.9	0	0	0	105.8
16	F	29.3	Very low	30.4	Very low	170 Å²	170	125.9 Å²	125.9	75%	0.746	67%	0.671	S	S	*	*			cis	-122.3	-170.6	7.3	-76.7	-83.2	0	0	0	109.1
17	Q	29.6	Very low	30.1	Very low	157 Å²	157	128.6 Å²	128.6	73%	0.734	68%	0.683	S	S	*	*			cis	69.6	145.6	26.6	-107.9	178.5	-20.8	0	0	112.7
18	V	31.1	Very low	30.1	Very low	104 Å²	104	127 Å²	127	63%	0.63	68%	0.683	S	S	*	*			cis	-140.8	133.5	10.6	145.7	0	0	0	0	110.2
19	N	29.2	Very low	30	Very low	147 Å²	147	123.6 Å²	123.6	79%	0.786	68%	0.676	S	S	*	*			trans	54.3	162.8	148.8	-63.6	0.7	0	0	0	120.8
20	V	30.3	Very low	29.8	Very low	108 Å²	108	127.7 Å²	127.7	66%	0.655	69%	0.69	S	S	*	*			cis	-155.2	149.4	-7.3	109.2	0	0	0	0	111.7
21	N	30.5	Very low	29.7	Very low	127 Å²	127	131.3 Å²	131.3	68%	0.679	71%	0.712	S	S	*	*			trans	50.3	150.7	156.8	-60.6	-7.5	0	0	0	123.7
22	N	28.9	Very low	29.5	Very low	151 Å²	151	132.4 Å²	132.4	81%	0.807	72%	0.722	S	S	*	*			trans	30.8	129.1	141.8	-48.3	-11.7	0	0	0	118.7
23	S	29.9	Very low	29.4	Very low	115 Å²	115	132.7 Å²	132.7	80%	0.804	72%	0.724	S	S	*	*			cis	-154.4	178.9	40	56.4	0	0	0	0	113.1
24	C	25	Very low	29.6	Very low	121 Å²	121	134.6 Å²	134.6	82%	0.818	73%	0.731	S	S	*	*			trans	-88.5	129.1	163.5	-61.7	0	0	0	0	110
25	E	28.8	Very low	29.6	Very low	176 Å²	176	135.5 Å²	135.5	82%	0.822	73%	0.73	S	S	*	*			trans	-168.3	170.7	139.8	-113.6	163.6	-151.1	0	0	111.2
26	S	27.2	Very low	29.5	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	74%	0.741	S	S	*	*			trans	-133.3	119.4	-170.5	56.7	0	0	0	0	112
27	Y	30.4	Very low	29.6	Very low	206 Å²	206	137.6 Å²	137.6	81%	0.808	74%	0.743	S	S	*	*			trans	-138.1	93.4	174.3	-83.7	-78.6	0	0	0	112.1
28	D	30.5	Very low	29.5	Very low	148 Å²	148	135.2 Å²	135.2	79%	0.791	74%	0.74	S	S	*	*				35.4	160.9	113.1	-129.2	-19.1	0	0	0	123.5
29	V	30.3	Very low	29.5	Very low	100 Å²	100	140.2 Å²	140.2	61%	0.606	75%	0.753	S	S	*	*			trans	87.8	101	144.9	156.2	0	0	0	0	122.6
30	K	28.5	Very low	29.3	Very low	180 Å²	180	138.1 Å²	138.1	78%	0.783	75%	0.75	S	S	*	*				86.7	154.8	126.1	-71.8	-176	-165.1	170.2	0	126.1
31	T	32.4	Very low	29.3	Very low	120 Å²	120	139.1 Å²	139.1	74%	0.736	76%	0.761	S	S	*	*			trans	76.1	96.2	145.4	37.9	0	0	0	0	122.4
32	S	28	Very low	29.1	Very low	86 Å²	86	141.1 Å²	141.1	60%	0.601	76%	0.763	S	S	*	*				35.6	135.2	112.8	62.6	0	0	0	0	122.2
33	D	29.2	Very low	29.3	Very low	140 Å²	140	139.3 Å²	139.3	75%	0.749	76%	0.757	S	S	*	*			trans	52.1	114.1	141.8	-47.3	-22.4	0	0	0	119.6
34	N	32.2	Very low	29.2	Very low	144 Å²	144	138.5 Å²	138.5	77%	0.77	74%	0.741	S	S	*	*				178.8	163	101.5	-98.2	-70.3	0	0	0	114.4
35	L	31.5	Very low	29.5	Very low	138 Å²	138	140.2 Å²	140.2	72%	0.723	73%	0.731	S	S	*	*			trans	37.3	131.2	155.6	-89.7	69.8	0	0	0	122.2	N37	L35-N37 PolarHBondContact O-N 3.21Å
36	E	27	Very low	29.5	Very low	168 Å²	168	138.4 Å²	138.4	79%	0.785	73%	0.732	S	S	*	*			trans	-15.3	121.7	135.7	-53.6	170.8	140.5	0	0	115.7
37	N	30.3	Very low	29.6	Very low	148 Å²	148	139.5 Å²	139.5	79%	0.791	73%	0.73	S	S	*	*				-163	161.5	114.8	-118.5	-75.9	0	0	0	116.8	L35	L35-N37 PolarHBondContact O-N 3.21Å
38	T	27.2	Very low	29.6	Very low	108 Å²	108	135.3 Å²	135.3	66%	0.663	73%	0.731	S	S	*	*			trans	-59.8	143.2	173.7	56.7	0	0	0	0	114.2
39	K	31.2	Very low	29.6	Very low	209 Å²	209	134.7 Å²	134.7	91%	0.909	73%	0.733	S	S	*	*				-175.8	158.9	122.6	-99.4	155.8	-171.9	174	0	113.7
40	S	25.7	Very low	29.7	Very low	103 Å²	103	139.1 Å²	139.1	72%	0.72	75%	0.747	S	S	*	*			trans	-121.1	146.3	-168	49.8	0	0	0	0	113.1
41	C	30.3	Very low	29.7	Very low	129 Å²	129	139.8 Å²	139.8	87%	0.872	75%	0.75	S	S	*	*			trans	-162.6	121.5	155.4	-83.7	0	0	0	0	105.3
42	K	27.5	Very low	29.7	Very low	169 Å²	169	141 Å²	141	74%	0.735	75%	0.751	S	S	*	*			cis	77.4	161.4	16.8	-137.4	-179.9	-176.3	-92.1	0	115.2	E44	K42-E44 IonicContact NZ-OE1 3.91Å; K42-E44 PolarHBondContact NZ-OE1 3.31Å
43	V	31.1	Very low	29.7	Very low	112 Å²	112	143.7 Å²	143.7	68%	0.679	76%	0.758	S	S	*	*			trans	83	105	-158	-174.2	0	0	0	0	111	Y45	V43-Y45 HydrophobicContact CG1-CE2 4.26Å
44	E	28.3	Very low	29.8	Very low	99 Å²	99	143.1 Å²	143.1	46%	0.463	76%	0.759	S	S	.	*			cis	81.7	144.9	49.9	-59.3	156.8	-156.4	0	0	111.4	K42	K42-E44 IonicContact NZ-OE1 3.91Å; K42-E44 PolarHBondContact NZ-OE1 3.31Å
45	Y	30.8	Very low	29.5	Very low	157 Å²	157	140.4 Å²	140.4	62%	0.616	75%	0.751	S	S	*	*			cis	-137.9	173.7	33.4	-86.5	-74.1	0	0	0	111.4	V43	V43-Y45 HydrophobicContact CG1-CE2 4.26Å
46	T	30.5	Very low	29.4	Very low	138 Å²	138	140.9 Å²	140.9	85%	0.847	76%	0.755	S	S	*	*			cis	-137.4	146.4	42.5	51.7	0	0	0	0	116.3
47	N	28.8	Very low	29.5	Very low	128 Å²	128	136.9 Å²	136.9	68%	0.684	75%	0.745	S	S	*	*			trans	-84.4	157.6	173.6	-58.2	-26.9	0	0	0	112
48	S	31.1	Very low	29.6	Very low	118 Å²	118	138.5 Å²	138.5	83%	0.825	75%	0.748	S	S	*	*			trans	-160.9	71.7	142.9	65.4	0	0	0	0	111
49	T	29.3	Very low	29.8	Very low	135 Å²	135	137.8 Å²	137.8	83%	0.828	75%	0.747	S	S	*	*			trans	-137	93.6	166.3	53.4	0	0	0	0	108.4
50	E	33	Very low	30	Very low	193 Å²	193	132.7 Å²	132.7	90%	0.902	74%	0.738	S	S	*	*			trans	-77.3	149.8	173.8	-70	172.6	141	0	0	110.4
51	K	29.2	Very low	30.4	Very low	194 Å²	194	132.2 Å²	132.2	84%	0.843	74%	0.735	S	S	*	*			trans	-145.8	100.5	171.6	-90.3	-166	173.4	-170.8	0	108.8
52	D	31.5	Very low	30.7	Very low	145 Å²	145	133.2 Å²	133.2	78%	0.775	73%	0.73	S	S	*	*			trans	-103.4	129.4	142.8	-70.7	-56.6	0	0	0	105.5
53	I	27.9	Very low	31.1	Very low	143 Å²	143	131.6 Å²	131.6	73%	0.733	73%	0.73	S	S	*	*				73.6	138.4	62.2	-61.9	171.1	0	0	0	110.2
54	V	31.3	Very low	31.3	Very low	128 Å²	128	132.2 Å²	132.2	78%	0.776	73%	0.729	S	S	*	*			trans	70.9	83.7	-160	-168.3	0	0	0	0	110.8
55	S	27	Very low	31.6	Very low	87 Å²	87	133.1 Å²	133.1	61%	0.608	74%	0.737	S	S	*	*				83.2	136.8	63.2	85	0	0	0	0	114
56	D	29.3	Very low	31.7	Very low	148 Å²	148	130 Å²	130	79%	0.791	74%	0.738	S	S	*	*			trans	65.1	149	163.8	-51.2	-49.8	0	0	0	118.6
57	S	28.5	Very low	31.9	Very low	84 Å²	84	129.2 Å²	129.2	59%	0.587	74%	0.736	S	S	*	*			cis	-164.4	163.5	-27.5	61.5	0	0	0	0	108.9
58	Q	32.3	Very low	32	Very low	182 Å²	182	127.6 Å²	127.6	85%	0.85	73%	0.734	S	S	*	*			trans	66.7	152.5	161	-68	174	36.3	0	0	116.3
59	S	32.3	Very low	32.2	Very low	92 Å²	92	130.2 Å²	130.2	64%	0.643	73%	0.733	S	S	*	*			cis	-160	173.8	-12.8	49.8	0	0	0	0	110.1
60	S	34.1	Very low	32.3	Very low	103 Å²	103	129.8 Å²	129.8	72%	0.72	73%	0.725	S	S	*	*			trans	66.6	140	153.6	39.6	0	0	0	0	118.4
61	S	34.7	Very low	32.2	Very low	93 Å²	93	128.6 Å²	128.6	65%	0.65	72%	0.724	S	S	*	*			cis	-173.2	134.5	-3.2	40.6	0	0	0	0	111.7
62	L	36.1	Very low	32.3	Very low	149 Å²	149	123.8 Å²	123.8	78%	0.78	71%	0.713	S	S	*	*			trans	59.5	138.6	143.4	-47.7	164.4	0	0	0	117.7
63	D	35.5	Very low	32.1	Very low	135 Å²	135	123.2 Å²	123.2	72%	0.722	71%	0.708	S	S	*	*			cis	-161.6	-164.5	-6.2	-99.6	-19.1	0	0	0	106.6
64	D	36	Very low	32.3	Very low	125 Å²	125	124.2 Å²	124.2	67%	0.668	71%	0.71	S	S	*	*			cis	-155.3	-176.9	17.8	-163.5	34.4	0	0	0	114.3
65	N	35	Very low	32.2	Very low	118 Å²	118	124.1 Å²	124.1	63%	0.631	71%	0.705	S	S	*	*			trans	-37.4	120.1	177.2	-68.5	-60.8	0	0	0	120.1
66	S	31.6	Very low	32.2	Very low	91 Å²	91	126.2 Å²	126.2	64%	0.636	71%	0.709	S	S	*	*				40.2	162.2	81.4	99.2	0	0	0	0	119.3
67	P	35.9	Very low	32.3	Very low	123 Å²	123	125.3 Å²	125.3	80%	0.799	70%	0.7	S	S	*	*			cis	-136.5	-170.1	10.3	42.8	-24.3	0	0	0	116.4
68	S	30.6	Very low	32.4	Very low	93 Å²	93	128.6 Å²	128.6	65%	0.65	70%	0.704	S	S	*	*			trans	-119.1	159.3	-175.1	59.2	0	0	0	0	114.5
69	H	35	Very low	32.2	Very low	174 Å²	174	126.4 Å²	126.4	81%	0.806	70%	0.698	S	S	*	*			trans	-129.5	126.1	151	-81.4	-93.2	0	0	0	108.1
70	L	31.1	Very low	32.2	Very low	125 Å²	125	128.9 Å²	128.9	65%	0.654	70%	0.704	S	S	*	*				68.5	129	69	-65	165.1	0	0	0	111.4
71	L	31.3	Very low	31.9	Very low	168 Å²	168	130.9 Å²	130.9	88%	0.88	71%	0.706	S	S	*	*			cis	-137.3	152.4	36.7	-71.3	160.6	0	0	0	115
72	P	30.8	Very low	31.7	Very low	94 Å²	94	133 Å²	133	61%	0.61	71%	0.709	S	S	*	*			trans	-138.8	-177.2	176.9	45.3	-29.8	0	0	0	116.8
73	I	27.4	Very low	31.3	Very low	132 Å²	132	135.8 Å²	135.8	68%	0.677	71%	0.714	S	S	*	*			trans	71.9	128.9	160.5	-45.9	163.9	0	0	0	119.9
74	H	32.8	Very low	31.1	Very low	165 Å²	165	133.2 Å²	133.2	76%	0.764	72%	0.72	S	S	*	*			trans	149.8	115.1	132.5	-89.2	-84.4	0	0	0	109.6
75	N	28.2	Very low	30.8	Very low	126 Å²	126	135.4 Å²	135.4	67%	0.674	72%	0.723	S	S	*	*				84.8	129	55.8	-82.4	1.3	0	0	0	115
76	N	28.6	Very low	30.8	Very low	131 Å²	131	137.9 Å²	137.9	70%	0.701	74%	0.737	S	S	*	*			trans	69	152.1	162.2	-65.8	21.9	0	0	0	116.8
77	E	30.8	Very low	30.7	Very low	128 Å²	128	139.2 Å²	139.2	60%	0.598	74%	0.737	S	S	*	*			cis	-157.3	160.3	-7	-122.2	172.2	120.5	0	0	113
78	K	29.9	Very low	30.4	Very low	154 Å²	154	140.9 Å²	140.9	67%	0.67	73%	0.734	S	S	*	*			trans	36.4	122.2	147.4	-72.2	164.6	-175.5	156.5	0	122.4
79	N	28.5	Very low	30.3	Very low	136 Å²	136	144.1 Å²	144.1	73%	0.727	74%	0.744	S	S	*	*				79	146.7	129	-62.6	-5.6	0	0	0	121.5
80	N	31.7	Very low	30	Very low	143 Å²	143	144.2 Å²	144.2	77%	0.765	74%	0.742	S	S	*	*			trans	65.4	144.2	161.8	-60.2	-16.9	0	0	0	116.8
81	L	27.3	Very low	29.8	Very low	145 Å²	145	145.2 Å²	145.2	76%	0.759	75%	0.747	S	S	*	*			cis	175.1	157.2	-23.2	-129.3	156.4	0	0	0	103.7
82	I	31.6	Very low	29.6	Very low	138 Å²	138	143.9 Å²	143.9	71%	0.708	74%	0.741	S	S	*	*			trans	78.5	95.4	166.1	-54.9	167	0	0	0	117.5
83	K	28.2	Very low	29.6	Very low	208 Å²	208	146.4 Å²	146.4	90%	0.904	74%	0.744	S	S	*	*			trans	52.4	108.1	132.7	-57.5	177.8	-176.3	174.7	0	120.2
84	G	30.6	Very low	29.6	Very low	81 Å²	81	148 Å²	148	84%	0.835	75%	0.754	S	S	*	*			trans	-152	107.4	148.5	0	0	0	0	0	110.5
85	K	30.8	Very low	29.4	Very low	170 Å²	170	145.7 Å²	145.7	74%	0.739	75%	0.747	S	S	*	*			trans	-85	141.1	175.9	-96.5	-169.6	166.1	-119	0	110.7	D87	K85-D87 IonicContact NZ-OD2 3.57Å; K85-D87 PolarHBondContact NZ-OD2 2.63Å
86	N	33.6	Very low	29.5	Very low	171 Å²	171	143.4 Å²	143.4	91%	0.914	74%	0.741	S	S	*	*			trans	-155.7	111.7	138.3	-95.1	-28.6	0	0	0	108.5
87	D	30	Very low	29.3	Very low	119 Å²	119	143.6 Å²	143.6	64%	0.636	75%	0.751	S	S	*	*			trans	-91.6	132	178.1	-62.6	-73.8	0	0	0	110	K85	K85-D87 IonicContact NZ-OD2 3.57Å; K85-D87 PolarHBondContact NZ-OD2 2.63Å
88	E	30.1	Very low	29.1	Very low	158 Å²	158	144.8 Å²	144.8	74%	0.738	76%	0.761	S	S	*	*			trans	-155.4	83.8	139.3	-132.2	-169.6	-113.1	0	0	112	K90	E88-K90 IonicContact OE2-NZ 2.63Å; E88-K90 PolarHBondContact OE2-NZ 3.24Å
89	N	27.2	Very low	29.1	Very low	161 Å²	161	144.3 Å²	144.3	86%	0.861	77%	0.771	S	S	*	*			trans	-75	128.1	165.3	-93.7	-50.6	0	0	0	109.8
90	K	30.1	Very low	29.2	Very low	176 Å²	176	146.8 Å²	146.8	77%	0.765	78%	0.778	S	S	*	*			trans	-120.3	79.1	178.4	-131.7	168.1	-158.1	130.7	0	112.6	E88	E88-K90 IonicContact OE2-NZ 2.63Å; E88-K90 PolarHBondContact OE2-NZ 3.24Å
91	L	25.9	Very low	29.2	Very low	146 Å²	146	145.8 Å²	145.8	76%	0.764	78%	0.78	S	S	*	*			trans	-74.1	160.3	164.7	-108.8	149.9	0	0	0	110.9
92	N	27.3	Very low	29.4	Very low	140 Å²	140	146.6 Å²	146.6	75%	0.749	79%	0.785	S	S	*	*			trans	71.4	119.5	169.3	-50.2	-26.6	0	0	0	118
93	E	30.7	Very low	29.1	Very low	146 Å²	146	147.7 Å²	147.7	68%	0.682	79%	0.791	S	S	*	*			trans	-145.3	41.6	132	-140.3	-163.9	165.4	0	0	114.5	L95 R1144	E93-L95 PolarHBondContact O-N 3.5Å; E93-R1144 IonicContact OE1-CZ 3.61Å; E93-R1144 IonicContact OE1-NE 2.79Å; E93-R1144 PolarHBondContact OE1-NE 3.38Å; E93-R1144 IonicContact OE1-NH2 3.08Å; E93-R1144 PolarHBondContact OE1-NH2 2.7Å
94	D	27.5	Very low	29.1	Very low	166 Å²	166	148.4 Å²	148.4	89%	0.888	79%	0.79	S	S	*	*			trans	-84.3	105.7	163.8	-88.5	-47.8	0	0	0	110.7
95	L	28.6	Very low	28.9	Very low	116 Å²	116	152.1 Å²	152.1	61%	0.607	79%	0.785	S	S	*	*			trans	-149.9	140.5	171.4	-85.9	106.8	0	0	0	108.6	E93 R1144	E93-L95 PolarHBondContact O-N 3.5Å; L95-R1144 VanDerWaalsContact CB-NH1 3.34Å
96	S	29.8	Very low	28.8	Very low	78 Å²	78	152.9 Å²	152.9	55%	0.545	79%	0.788	S	S	.	*			cis	-161.3	131.9	8.8	46.3	0	0	0	0	111.6
97	C	25	Very low	28.6	Very low	136 Å²	136	152.6 Å²	152.6	92%	0.919	78%	0.782	S	S	*	*			trans	-99.5	131.9	154.4	-67.1	0	0	0	0	108.3
98	L	26.2	Very low	28.4	Very low	152 Å²	152	155.4 Å²	155.4	80%	0.796	80%	0.797	S	S	*	*			trans	-133.7	103.4	178.6	-78.5	170.9	0	0	0	110.5
99	T	31.3	Very low	28.5	Very low	144 Å²	144	151.8 Å²	151.8	88%	0.883	79%	0.794	S	S	*	*			trans	-163.8	94.6	149.7	2.3	0	0	0	0	109.6
100	E	30.5	Very low	28.7	Very low	189 Å²	189	149.8 Å²	149.8	88%	0.883	79%	0.792	S	S	*	*			trans	15.8	112.3	158.4	-60.3	178.9	163.2	0	0	119.3
101	P	31	Very low	28.6	Very low	122 Å²	122	148.7 Å²	148.7	79%	0.792	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-83.2	162.1	167.8	35.3	-34.5	0	0	0	112.7
102	N	30.6	Very low	28.9	Very low	162 Å²	162	150 Å²	150	87%	0.866	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-63.9	137	177.7	-53.4	-88.2	0	0	0	112.4
103	L	26.1	Very low	29	Very low	160 Å²	160	151.3 Å²	151.3	84%	0.838	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-88.9	155.6	158	-81.6	166.7	0	0	0	110.7
104	Y	27.2	Very low	28.8	Very low	224 Å²	224	150.5 Å²	150.5	88%	0.878	80%	0.796	S	S	*	*			trans	91.5	86.2	-179.4	-69.1	-77.3	0	0	0	117.9
105	E	27.5	Very low	28.8	Very low	159 Å²	159	148.1 Å²	148.1	74%	0.743	78%	0.784	S	S	*	*				-159.4	161.6	126.8	-111.4	166.4	-146.9	0	0	108.9
106	K	28.6	Very low	28.8	Very low	185 Å²	185	150.2 Å²	150.2	80%	0.804	79%	0.79	S	S	*	*			trans	69.8	133.8	-153.5	-56.9	-176.7	177.1	-171.2	0	113.4
107	E	29.7	Very low	28.6	Very low	166 Å²	166	151.2 Å²	151.2	78%	0.776	80%	0.798	S	S	*	*			cis	-130.3	152.6	-1.5	-102.7	131.1	-143.7	0	0	110.9
108	N	26	Very low	28.8	Very low	178 Å²	178	151.4 Å²	151.4	95%	0.952	79%	0.789	S	S	*	*			trans	-148.2	88.4	171.6	-134.4	-13.9	0	0	0	108.4
109	A	32	Very low	28.8	Very low	82 Å²	82	150.8 Å²	150.8	68%	0.678	79%	0.785	S	S	*	*			trans	-142.5	124.5	-178.1	0	0	0	0	0	111
110	S	31.1	Very low	28.6	Very low	119 Å²	119	150.5 Å²	150.5	83%	0.832	78%	0.778	S	S	*	*			trans	48.2	114.9	163.5	51.3	0	0	0	0	119.4
111	N	28.2	Very low	28.6	Very low	152 Å²	152	147 Å²	147	81%	0.813	77%	0.77	S	S	*	*			trans	-58.1	143.4	147.8	-55.3	-49.5	0	0	0	109.6
112	H	32	Very low	28.4	Very low	175 Å²	175	146.2 Å²	146.2	81%	0.81	76%	0.763	S	S	*	*				-169.1	121.8	117.7	-111.1	-80.9	0	0	0	113.4
113	F	28.5	Very low	28.3	Very low	167 Å²	167	147.6 Å²	147.6	73%	0.732	76%	0.761	S	S	*	*			trans	19	116.2	148.8	-79.1	-96.2	0	0	0	121.6
114	N	26.4	Very low	28.3	Very low	128 Å²	128	145.1 Å²	145.1	68%	0.684	76%	0.756	S	S	*	*				85.7	141.8	121	-81.8	38.3	0	0	0	124.2
115	N	28.9	Very low	28.4	Very low	116 Å²	116	141.1 Å²	141.1	62%	0.62	75%	0.749	S	S	*	*			trans	73.6	99.2	150.4	-70	48.1	0	0	0	121.2
116	E	27.8	Very low	28.3	Very low	160 Å²	160	139.4 Å²	139.4	75%	0.748	74%	0.744	S	S	*	*				71	105.7	115	-70.9	178.8	135	0	0	121.6
117	S	26.3	Very low	28.3	Very low	100 Å²	100	138.3 Å²	138.3	70%	0.699	74%	0.742	S	S	*	*				107.9	155.4	108.5	77.7	0	0	0	0	119.9
118	L	28.4	Very low	28.5	Very low	140 Å²	140	134.2 Å²	134.2	73%	0.733	73%	0.73	S	S	*	*			trans	63.2	108.5	167.5	-62.9	148.5	0	0	0	115.6
119	I	26.4	Very low	28.7	Very low	139 Å²	139	135.2 Å²	135.2	71%	0.713	73%	0.726	S	S	*	*				76.9	139.5	54.7	-58.7	167.4	0	0	0	112.2
120	N	27.7	Very low	28.5	Very low	138 Å²	138	137.5 Å²	137.5	74%	0.738	73%	0.726	S	S	*	*			trans	84.7	137.6	-177	-58.8	-35.8	0	0	0	115.3
121	T	29.5	Very low	28.3	Very low	116 Å²	116	140 Å²	140	71%	0.712	72%	0.722	S	S	*	*			cis	-152	121.9	-2.7	2.1	0	0	0	0	113.9
122	T	27.4	Very low	28.3	Very low	105 Å²	105	143.6 Å²	143.6	64%	0.644	72%	0.724	S	S	*	*			trans	28.1	138.9	136.4	60.7	0	0	0	0	124.5
123	K	28.4	Very low	28.2	Very low	191 Å²	191	141.5 Å²	141.5	83%	0.83	72%	0.715	S	S	*	*			trans	71.4	155.2	143.1	-66.2	162.3	-176.3	177.2	0	116.3
124	C	26.9	Very low	28.4	Very low	108 Å²	108	141 Å²	141	73%	0.73	72%	0.715	S	S	*	*			cis	-136.4	168	11.7	-81.4	0	0	0	0	109.6
125	L	28.1	Very low	28.5	Very low	139 Å²	139	142.9 Å²	142.9	73%	0.728	73%	0.725	S	S	*	*			cis	-164	145.6	-15.4	-103.5	164.6	0	0	0	108.3
126	N	26.3	Very low	28.7	Very low	123 Å²	123	147.7 Å²	147.7	66%	0.658	74%	0.735	S	S	*	*				8.6	155	127.6	-63.2	31.2	0	0	0	118.9
127	E	28.8	Very low	29.5	Very low	162 Å²	162	142.8 Å²	142.8	76%	0.757	72%	0.719	S	S	*	*			cis	-163	-157.8	22.8	-137.1	169	-103.5	0	0	115
128	P	32.6	Very low	30.2	Very low	81 Å²	81	144.6 Å²	144.6	53%	0.526	72%	0.72	S	S	.	*				-126.9	178.3	-118.1	46.7	-30.1	0	0	0	117.5
129	K	32	Very low	31.1	Very low	199 Å²	199	143.1 Å²	143.1	87%	0.865	71%	0.71	S	S	*	*			trans	-178	100.1	137.9	-95.1	145.3	-171.6	174.3	0	109.3
130	L	27.1	Very low	32.2	Very low	130 Å²	130	139.6 Å²	139.6	68%	0.681	69%	0.694	S	S	*	*				82.8	110.3	69.1	-81.6	163.1	0	0	0	116.2
131	K	26.6	Very low	33.6	Very low	172 Å²	172	136.7 Å²	136.7	75%	0.748	68%	0.681	S	S	*	*			trans	73.8	144.5	155.2	-66.9	161.1	179.8	170.6	0	115.6
132	R	28.7	Very low	35.3	Very low	226 Å²	226	136.8 Å²	136.8	85%	0.853	67%	0.674	S	S	*	*			cis	-152.8	129	29.3	-141.8	161.4	-169.7	162.8	0.9	113.1
133	H	30.6	Very low	37.2	Very low	131 Å²	131	137.3 Å²	137.3	61%	0.606	67%	0.667	S	S	*	*			trans	36.1	121	145.7	-63.2	-85.4	0	0	0	120.2
134	E	30.8	Very low	38.9	Very low	158 Å²	158	132.5 Å²	132.5	74%	0.738	65%	0.65	S	S	*	*				86.6	132.4	59.3	-78.5	170.6	-166.2	0	0	114.9
135	N	30.3	Very low	40.7	Very low	166 Å²	166	132 Å²	132	89%	0.888	64%	0.64	S	S	*	*			trans	-176.2	71.3	142	-99.8	-23	0	0	0	110.5
136	Y	33.2	Very low	42.7	Very low	217 Å²	217	131.5 Å²	131.5	85%	0.851	63%	0.632	S	S	*	*			trans	-92.5	141.3	154.7	-84.4	-82.3	0	0	0	107.8
137	S	43.3	Very low	44.7	Very low	58 Å²	58	131 Å²	131	41%	0.406	63%	0.628	S	S	.	*			trans	-69.1	140.3	-172.1	59.5	0	0	0	0	112.5	E139 T140	S137-E139 PolarHBondContact O-N 3.22Å; S137-T140 WeakPolarHBondContact O-CB 3.49Å; S137-T140 PolarHBondContact O-N 3.47Å; S137-T140 PolarHBondContact OG-OG1 2.66Å
138	L	40.7	Very low	46.6	Very low	137 Å²	137	126.7 Å²	126.7	72%	0.717	61%	0.609	S	S	*	*	H	α-helix	trans	-49.4	-44.1	172.5	-88.3	156	0	0	0	111.5	T140 V141 E142	L138-T140 PolarHBondContact O-N 3.03Å; L138-T140 VanDerWaalsContact O-N 3.09Å; L138-V141 PolarHBondContact O-N 2.82Å; L138-V141 VanDerWaalsContact O-N 3.09Å; L138-E142 WeakPolarHBondContact O-CB 3.23Å; L138-E142 WeakPolarHBondContact O-CG 3.45Å; L138-E142 PolarHBondContact O-N 2.75Å
139	E	47.5	Very low	48.2	Very low	110 Å²	110	125.9 Å²	125.9	51%	0.514	61%	0.605	S	S	.	*	H	α-helix	trans	-48.6	-37.9	173.8	-79.2	-162.7	93.8	0	0	114.4	S137 K143	S137-E139 PolarHBondContact O-N 3.22Å; E139-K143 VanDerWaalsContact O-CB 3.26Å; E139-K143 WeakPolarHBondContact O-CB 3.24Å; E139-K143 VanDerWaalsContact O-CD 3.28Å; E139-K143 WeakPolarHBondContact O-CD 3.5Å; E139-K143 WeakPolarHBondContact O-CG 3.49Å; E139-K143 PolarHBondContact O-N 3.09Å; E139-K143 WeakPolarHBondContact OE1-CE 3.46Å; E139-K143 IonicContact OE1-NZ 2.93Å; E139-K143 PolarHBondContact OE1-NZ 3.03Å; E139-K143 IonicContact OE2-NZ 3.29Å
140	T	49.4	Very low	49.8	Very low	64 Å²	64	120.1 Å²	120.1	39%	0.393	58%	0.584	S	S	.	*	H	α-helix	trans	-73.3	-41.5	-176.2	-53.8	0	0	0	0	110.4	S137 L138 I144	S137-T140 WeakPolarHBondContact O-CB 3.49Å; S137-T140 PolarHBondContact O-N 3.47Å; S137-T140 PolarHBondContact OG-OG1 2.66Å; L138-T140 PolarHBondContact O-N 3.03Å; L138-T140 VanDerWaalsContact O-N 3.09Å; T140-I144 HydrophobicContact CG2-CD1 4.26Å; T140-I144 VanDerWaalsContact O-CG1 3.31Å; T140-I144 WeakPolarHBondContact O-CG1 3.36Å; T140-I144 PolarHBondContact O-N 3.15Å; T140-I144 VanDerWaalsContact O-N 3.11Å
141	V	57.7	Low	51.6	Low	77 Å²	77	120.9 Å²	120.9	47%	0.467	58%	0.582	S	S	.	*	H	α-helix	trans	-69.9	-40.7	176.4	-179.4	0	0	0	0	110.6	L138 I144 N145	L138-V141 PolarHBondContact O-N 2.82Å; L138-V141 VanDerWaalsContact O-N 3.09Å; V141-I144 PolarHBondContact O-N 3.17Å; V141-N145 VanDerWaalsContact O-CB 3.3Å; V141-N145 WeakPolarHBondContact O-CB 3.38Å; V141-N145 VanDerWaalsContact O-CG 3.32Å; V141-N145 PolarHBondContact O-N 3.28Å; V141-N145 PolarHBondContact O-ND2 3.32Å
142	E	64.4	Low	53.2	Low	119 Å²	119	121.2 Å²	121.2	56%	0.556	58%	0.578	S	S	*	*	H	α-helix	trans	-63.7	-43.7	174.8	-73	176.4	164.2	0	0	112.3	L138 I144 N145 K146	L138-E142 WeakPolarHBondContact O-CB 3.23Å; L138-E142 WeakPolarHBondContact O-CG 3.45Å; L138-E142 PolarHBondContact O-N 2.75Å; E142-I144 PolarHBondContact O-N 2.99Å; E142-N145 PolarHBondContact O-N 2.92Å; E142-K146 VanDerWaalsContact O-CB 3.25Å; E142-K146 WeakPolarHBondContact O-CB 3.41Å; E142-K146 PolarHBondContact O-N 2.79Å
143	K	67.3	Low	54.2	Low	115 Å²	115	116.1 Å²	116.1	50%	0.5	56%	0.564	S	S	.	*	H	α-helix	trans	-62.9	-42.4	176.2	-74.9	163.2	-166.9	167.6	0	111.7	E139 I147	E139-K143 VanDerWaalsContact O-CB 3.26Å; E139-K143 WeakPolarHBondContact O-CB 3.24Å; E139-K143 VanDerWaalsContact O-CD 3.28Å; E139-K143 WeakPolarHBondContact O-CD 3.5Å; E139-K143 WeakPolarHBondContact O-CG 3.49Å; E139-K143 PolarHBondContact O-N 3.09Å; E139-K143 WeakPolarHBondContact OE1-CE 3.46Å; E139-K143 IonicContact OE1-NZ 2.93Å; E139-K143 PolarHBondContact OE1-NZ 3.03Å; E139-K143 IonicContact OE2-NZ 3.29Å; K143-I147 WeakPolarHBondContact O-CD1 3.4Å; K143-I147 VanDerWaalsContact O-CG1 3.24Å; K143-I147 WeakPolarHBondContact O-CG1 3.3Å; K143-I147 PolarHBondContact O-N 3.11Å
144	I	65.2	Low	54.8	Low	91 Å²	91	116.3 Å²	116.3	47%	0.467	56%	0.564	S	S	.	*	H	α-helix	trans	-66.4	-47.2	176.3	-69.5	168.1	0	0	0	111	T140 V141 E142 K146 I147 I148	T140-I144 HydrophobicContact CG2-CD1 4.26Å; T140-I144 VanDerWaalsContact O-CG1 3.31Å; T140-I144 WeakPolarHBondContact O-CG1 3.36Å; T140-I144 PolarHBondContact O-N 3.15Å; T140-I144 VanDerWaalsContact O-N 3.11Å; V141-I144 PolarHBondContact O-N 3.17Å; E142-I144 PolarHBondContact O-N 2.99Å; I144-K146 VanDerWaalsContact C-N 3.33Å; I144-K146 PolarHBondContact O-N 3.37Å; I144-I147 PolarHBondContact O-N 3.36Å; I144-I148 HydrophobicContact CG2-CD1 3.81Å; I144-I148 WeakPolarHBondContact O-CG1 3.45Å; I144-I148 PolarHBondContact O-N 2.93Å
145	N	64.1	Low	55.6	Low	97 Å²	97	113.7 Å²	113.7	52%	0.519	55%	0.554	S	S	.	*	H	α-helix	trans	-63.9	-37.1	178.5	-77	-22	0	0	0	112.2	V141 E142 I148 S149	V141-N145 VanDerWaalsContact O-CB 3.3Å; V141-N145 WeakPolarHBondContact O-CB 3.38Å; V141-N145 VanDerWaalsContact O-CG 3.32Å; V141-N145 PolarHBondContact O-N 3.28Å; V141-N145 PolarHBondContact O-ND2 3.32Å; E142-N145 PolarHBondContact O-N 2.92Å; N145-I148 PolarHBondContact O-N 2.58Å; N145-S149 WeakPolarHBondContact O-CB 3.43Å; N145-S149 PolarHBondContact O-N 3.05Å
146	K	71.3	Confident	56.3	Low	128 Å²	128	113.4 Å²	113.4	56%	0.557	55%	0.545	S	S	*	.	H	α-helix	trans	-63.9	-49.2	173.4	-177.1	167.5	-178.8	172.6	0	111.6	E142 I144 I148 S149 D150	E142-K146 VanDerWaalsContact O-CB 3.25Å; E142-K146 WeakPolarHBondContact O-CB 3.41Å; E142-K146 PolarHBondContact O-N 2.79Å; I144-K146 VanDerWaalsContact C-N 3.33Å; I144-K146 PolarHBondContact O-N 3.37Å; K146-I148 PolarHBondContact O-N 2.87Å; K146-S149 CarbonylContact O-C 3.59Å; K146-S149 WeakPolarHBondContact O-CA 3.44Å; K146-S149 WeakPolarHBondContact O-CB 3.09Å; K146-S149 PolarHBondContact O-N 3.06Å; K146-D150 WeakPolarHBondContact CE-OD1 3.26Å; K146-D150 VanDerWaalsContact CE-OD2 3.31Å; K146-D150 WeakPolarHBondContact CE-OD2 3.49Å; K146-D150 WeakPolarHBondContact CG-OD1 3.43Å; K146-D150 WeakPolarHBondContact CG-OD2 3.45Å; K146-D150 WeakPolarHBondContact O-CB 2.89Å; K146-D150 PolarHBondContact O-N 2.82Å
147	I	68	Low	56.7	Low	112 Å²	112	109.8 Å²	109.8	57%	0.574	54%	0.535	S	S	*	.	H	α-helix	trans	-57.5	-35.3	175.9	-69.8	164.3	0	0	0	111.7	K143 I144 K151	K143-I147 WeakPolarHBondContact O-CD1 3.4Å; K143-I147 VanDerWaalsContact O-CG1 3.24Å; K143-I147 WeakPolarHBondContact O-CG1 3.3Å; K143-I147 PolarHBondContact O-N 3.11Å; I144-I147 PolarHBondContact O-N 3.36Å; I147-K151 WeakPolarHBondContact O-CB 3.35Å; I147-K151 PolarHBondContact O-N 3.03Å
148	I	68.6	Low	56.5	Low	73 Å²	73	112 Å²	112	37%	0.374	55%	0.546	S	S	.	.	H	α-helix	trans	-73.4	-34.8	174.9	-68.1	168.1	0	0	0	111.9	I144 N145 K146 R152	I144-I148 HydrophobicContact CG2-CD1 3.81Å; I144-I148 WeakPolarHBondContact O-CG1 3.45Å; I144-I148 PolarHBondContact O-N 2.93Å; N145-I148 PolarHBondContact O-N 2.58Å; K146-I148 PolarHBondContact O-N 2.87Å; I148-R152 WeakPolarHBondContact O-CB 3.42Å; I148-R152 WeakPolarHBondContact O-CD 3.46Å; I148-R152 WeakPolarHBondContact O-CG 3.5Å; I148-R152 PolarHBondContact O-N 2.87Å; I148-R152 VanDerWaalsContact O-N 3.16Å
149	S	64.9	Low	56.4	Low	63 Å²	63	109.9 Å²	109.9	44%	0.441	54%	0.543	S	S	.	.	H	α-helix	trans	-69.8	-57	176.2	-162.6	0	0	0	0	111.4	N145 K146 K151 R152 E153	N145-S149 WeakPolarHBondContact O-CB 3.43Å; N145-S149 PolarHBondContact O-N 3.05Å; K146-S149 CarbonylContact O-C 3.59Å; K146-S149 WeakPolarHBondContact O-CA 3.44Å; K146-S149 WeakPolarHBondContact O-CB 3.09Å; K146-S149 PolarHBondContact O-N 3.06Å; S149-K151 PolarHBondContact O-N 3.14Å; S149-K151 VanDerWaalsContact O-N 3.15Å; S149-R152 CarbonylContact O-C 3.52Å; S149-R152 WeakPolarHBondContact O-CA 3.36Å; S149-R152 WeakPolarHBondContact O-CB 3.43Å; S149-R152 PolarHBondContact O-N 2.73Å; S149-E153 PolarHBondContact O-N 3.27Å
150	D	67	Low	55.8	Low	78 Å²	78	112.3 Å²	112.3	42%	0.417	55%	0.554	S	S	.	*	H	α-helix	trans	-52.1	-41.5	179.3	-59.6	-1.9	0	0	0	110.5	K146 E153 F154	K146-D150 WeakPolarHBondContact CE-OD1 3.26Å; K146-D150 VanDerWaalsContact CE-OD2 3.31Å; K146-D150 WeakPolarHBondContact CE-OD2 3.49Å; K146-D150 WeakPolarHBondContact CG-OD1 3.43Å; K146-D150 WeakPolarHBondContact CG-OD2 3.45Å; K146-D150 WeakPolarHBondContact O-CB 2.89Å; K146-D150 PolarHBondContact O-N 2.82Å; D150-E153 PolarHBondContact O-N 2.85Å; D150-F154 WeakPolarHBondContact O-CB 3.32Å; D150-F154 PolarHBondContact O-N 2.91Å
151	K	64.1	Low	55.1	Low	146 Å²	146	115.9 Å²	115.9	64%	0.635	58%	0.576	S	S	*	*	H	α-helix	trans	-74.4	-24.4	178.1	-164.3	172.9	-173.4	179.1	0	114.2	I147 S149 I155	I147-K151 WeakPolarHBondContact O-CB 3.35Å; I147-K151 PolarHBondContact O-N 3.03Å; S149-K151 PolarHBondContact O-N 3.14Å; S149-K151 VanDerWaalsContact O-N 3.15Å; K151-I155 VanDerWaalsContact O-CD1 3.27Å; K151-I155 WeakPolarHBondContact O-CD1 3.29Å; K151-I155 VanDerWaalsContact O-CG1 3.23Å; K151-I155 WeakPolarHBondContact O-CG1 3.38Å
152	R	59.6	Low	53.9	Low	179 Å²	179	120.7 Å²	120.7	68%	0.675	59%	0.593	S	S	*	*	H	α-helix	trans	-83	-30	173	-80.1	172.8	171.8	178.9	-1.9	112.4	I148 S149 K156	I148-R152 WeakPolarHBondContact O-CB 3.42Å; I148-R152 WeakPolarHBondContact O-CD 3.46Å; I148-R152 WeakPolarHBondContact O-CG 3.5Å; I148-R152 PolarHBondContact O-N 2.87Å; I148-R152 VanDerWaalsContact O-N 3.16Å; S149-R152 CarbonylContact O-C 3.52Å; S149-R152 WeakPolarHBondContact O-CA 3.36Å; S149-R152 WeakPolarHBondContact O-CB 3.43Å; S149-R152 PolarHBondContact O-N 2.73Å; R152-K156 PolarHBondContact O-N 2.87Å
153	E	51	Low	52.4	Low	119 Å²	119	121.3 Å²	121.3	56%	0.556	60%	0.6	S	S	*	*	H	α-helix	trans	-73.6	-47.2	177	-162.7	147.4	-129.5	0	0	110.6	S149 D150 I155 K156 E157	S149-E153 PolarHBondContact O-N 3.27Å; D150-E153 PolarHBondContact O-N 2.85Å; E153-I155 VanDerWaalsContact C-N 3.28Å; E153-I155 PolarHBondContact O-N 3.32Å; E153-K156 WeakPolarHBondContact O-CA 3.3Å; E153-K156 WeakPolarHBondContact O-CB 3.34Å; E153-K156 PolarHBondContact O-N 3.29Å; E153-E157 PolarHBondContact O-N 3.15Å
154	F	43.4	Very low	50.7	Low	135 Å²	135	120.5 Å²	120.5	59%	0.592	61%	0.609	S	S	*	*	H	α-helix	trans	-56.6	-37.8	173.1	-171.2	-101	0	0	0	113.3	D150 K156 E157 V158	D150-F154 WeakPolarHBondContact O-CB 3.32Å; D150-F154 PolarHBondContact O-N 2.91Å; F154-K156 VanDerWaalsContact C-N 3.29Å; F154-K156 PolarHBondContact O-N 3.34Å; F154-E157 PolarHBondContact O-N 3.45Å; F154-V158 HydrophobicContact CD1-CG2 4.21Å; F154-V158 HydrophobicContact CE1-CG2 3.91Å; F154-V158 HydrophobicContact CE2-CG2 4.3Å; F154-V158 HydrophobicContact CZ-CG2 3.96Å; F154-V158 WeakPolarHBondContact O-CB 3.1Å; F154-V158 VanDerWaalsContact O-CG2 3.29Å; F154-V158 WeakPolarHBondContact O-CG2 3.26Å; F154-V158 PolarHBondContact O-N 2.85Å; F154-V158 VanDerWaalsContact O-N 3.09Å
155	I	47.3	Very low	49.2	Very low	104 Å²	104	125 Å²	125	53%	0.533	63%	0.625	S	S	.	*	H	α-helix	trans	-68.8	-26.9	175.9	-72.2	171.8	0	0	0	112.1	K151 E153 S159	K151-I155 VanDerWaalsContact O-CD1 3.27Å; K151-I155 WeakPolarHBondContact O-CD1 3.29Å; K151-I155 VanDerWaalsContact O-CG1 3.23Å; K151-I155 WeakPolarHBondContact O-CG1 3.38Å; E153-I155 VanDerWaalsContact C-N 3.28Å; E153-I155 PolarHBondContact O-N 3.32Å; I155-S159 PolarHBondContact O-OG 3.22Å
156	K	44.5	Very low	47.7	Very low	159 Å²	159	127.5 Å²	127.5	69%	0.691	64%	0.638	S	S	*	*	H	α-helix	trans	-76.6	-45.1	173.1	-75.5	-179.1	173.4	-175.5	0	112.2	R152 E153 F154 S159	R152-K156 PolarHBondContact O-N 2.87Å; E153-K156 WeakPolarHBondContact O-CA 3.3Å; E153-K156 WeakPolarHBondContact O-CB 3.34Å; E153-K156 PolarHBondContact O-N 3.29Å; F154-K156 VanDerWaalsContact C-N 3.29Å; F154-K156 PolarHBondContact O-N 3.34Å; K156-S159 PolarHBondContact O-N 3.01Å
157	E	41	Very low	45.6	Very low	141 Å²	141	130 Å²	130	66%	0.659	65%	0.649	S	S	*	*	H	α-helix	trans	-62.3	-44.7	178.8	-68.9	-169.4	123.5	0	0	112.2	E153 F154 S159 Q160	E153-E157 PolarHBondContact O-N 3.15Å; F154-E157 PolarHBondContact O-N 3.45Å; E157-S159 PolarHBondContact O-N 3.33Å; E157-S159 VanDerWaalsContact O-N 3.09Å; E157-Q160 PolarHBondContact O-N 2.86Å
158	V	40.2	Very low	43.7	Very low	105 Å²	105	130.9 Å²	130.9	64%	0.636	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-13.1	178.6	174.7	0	0	0	0	112.8	F154	F154-V158 HydrophobicContact CD1-CG2 4.21Å; F154-V158 HydrophobicContact CE1-CG2 3.91Å; F154-V158 HydrophobicContact CE2-CG2 4.3Å; F154-V158 HydrophobicContact CZ-CG2 3.96Å; F154-V158 WeakPolarHBondContact O-CB 3.1Å; F154-V158 VanDerWaalsContact O-CG2 3.29Å; F154-V158 WeakPolarHBondContact O-CG2 3.26Å; F154-V158 PolarHBondContact O-N 2.85Å; F154-V158 VanDerWaalsContact O-N 3.09Å
159	S	37.7	Very low	41.8	Very low	92 Å²	92	137.3 Å²	137.3	64%	0.643	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	2.7	178	-59.3	0	0	0	0	114.3	I155 K156 E157	I155-S159 PolarHBondContact O-OG 3.22Å; K156-S159 PolarHBondContact O-N 3.01Å; E157-S159 PolarHBondContact O-N 3.33Å; E157-S159 VanDerWaalsContact O-N 3.09Å
160	Q	35.8	Very low	40.2	Very low	161 Å²	161	139 Å²	139	75%	0.752	69%	0.69	S	S	*	*	S	Bend	trans	-138.2	74.8	-175.1	-66.3	-169.7	-6.8	0	0	114.1	E157	E157-Q160 PolarHBondContact O-N 2.86Å
161	T	33.9	Very low	38.4	Very low	140 Å²	140	142.8 Å²	142.8	86%	0.859	71%	0.708	S	S	*	*			trans	-167	117.7	147.1	6.5	0	0	0	0	111.3
162	H	33.2	Very low	36.9	Very low	178 Å²	178	143.6 Å²	143.6	82%	0.824	72%	0.718	S	S	*	*			trans	-125.6	160.3	169.5	-120.1	-93.1	0	0	0	109.8
163	D	33.4	Very low	35.5	Very low	131 Å²	131	143 Å²	143	70%	0.701	72%	0.72	S	S	*	*			trans	69	91.6	161.2	-60.7	0.5	0	0	0	120.8
164	S	29.8	Very low	34.6	Very low	98 Å²	98	143.8 Å²	143.8	69%	0.685	73%	0.728	S	S	*	*				73.1	121.9	127.1	77.1	0	0	0	0	121.2
165	K	35.6	Very low	34.4	Very low	186 Å²	186	144.7 Å²	144.7	81%	0.809	74%	0.74	S	S	*	*				177	142.5	112.1	-93.2	152.5	-171.3	167.6	0	114.7
166	L	30.7	Very low	34	Very low	149 Å²	149	146.3 Å²	146.3	78%	0.78	75%	0.745	S	S	*	*			trans	53.5	97.7	142.6	-63.5	164.6	0	0	0	122.1
167	F	27.1	Very low	33.8	Very low	182 Å²	182	143 Å²	143	80%	0.798	74%	0.735	S	S	*	*				42.1	138.1	119.4	-85.6	-85.6	0	0	0	124.5
168	N	28.7	Very low	33.7	Very low	130 Å²	130	146.8 Å²	146.8	70%	0.695	74%	0.743	S	S	*	*			trans	67.9	122.2	155.8	-62.6	-27.5	0	0	0	117.5
169	F	28.8	Very low	33.7	Very low	208 Å²	208	147 Å²	147	91%	0.912	74%	0.74	S	S	*	*				-140	162.8	68.3	-89.8	-89.8	0	0	0	114.5
170	P	31.5	Very low	33.8	Very low	97 Å²	97	147 Å²	147	63%	0.63	73%	0.732	S	S	*	*			trans	-109.3	177.6	-172.9	41.4	-33.7	0	0	0	115.4
171	I	30	Very low	34	Very low	158 Å²	158	148.3 Å²	148.3	81%	0.81	73%	0.731	S	S	*	*			trans	76.8	121.2	175.6	-49.9	163.2	0	0	0	110.6
172	I	32.5	Very low	34.3	Very low	163 Å²	163	150.3 Å²	150.3	84%	0.836	72%	0.722	S	S	*	*				-122.7	142.3	50.5	-66.2	161.5	0	0	0	113.2
173	K	30	Very low	34.8	Very low	166 Å²	166	147.8 Å²	147.8	72%	0.722	71%	0.714	S	S	*	*			trans	-119.4	135.6	167.9	-73.1	175.2	177.8	167.3	0	110.1
174	N	31.8	Very low	35	Very low	136 Å²	136	148.5 Å²	148.5	73%	0.727	71%	0.711	S	S	*	*				159.5	99.2	121.2	-82.1	-30.5	0	0	0	112.9
175	N	38.7	Very low	35.5	Very low	155 Å²	155	149.1 Å²	149.1	83%	0.829	71%	0.71	S	S	*	*	S	Bend	trans	-168.2	-35.7	140.2	-102.5	-33.9	0	0	0	113.6	N177	N175-N177 VanDerWaalsContact C-N 3.3Å; N175-N177 PolarHBondContact O-N 2.89Å
176	E	39.6	Very low	35.6	Very low	137 Å²	137	146.5 Å²	146.5	64%	0.64	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-21.4	-171.2	-65.1	-161.1	101.3	0	0	116	R178 L179 K212	E176-R178 PolarHBondContact O-N 3.33Å; E176-L179 PolarHBondContact O-N 3.35Å; E176-K212 IonicContact OE1-NZ 2.72Å; E176-K212 PolarHBondContact OE1-NZ 3.5Å; E176-K212 VanDerWaalsContact OE1-NZ 3.1Å
177	N	40.4	Very low	35.9	Very low	91 Å²	91	146.6 Å²	146.6	49%	0.487	69%	0.691	S	S	.	*	H	α-helix	trans	-63.8	-7.5	-173.2	-81.9	-57.8	0	0	0	115.5	N175 R181	N175-N177 VanDerWaalsContact C-N 3.3Å; N175-N177 PolarHBondContact O-N 2.89Å; N177-R181 WeakPolarHBondContact O-CG 3.26Å; N177-R181 PolarHBondContact O-N 3.25Å
178	R	38.2	Very low	36.2	Very low	219 Å²	219	146.7 Å²	146.7	83%	0.826	69%	0.693	S	S	*	*	H	α-helix	trans	-79.8	-32.6	180	-141.4	171.2	-171.7	164.2	1.9	113.1	E176	E176-R178 PolarHBondContact O-N 3.33Å
179	L	41.3	Very low	36.3	Very low	109 Å²	109	145.8 Å²	145.8	57%	0.571	70%	0.696	S	S	*	*	H	α-helix	trans	-77.3	-44.9	175.7	-79.3	163.8	0	0	0	111.7	E176 R181 R182 I183	E176-L179 PolarHBondContact O-N 3.35Å; L179-R181 PolarHBondContact O-N 3.5Å; L179-R182 PolarHBondContact O-N 3.41Å; L179-I183 PolarHBondContact O-N 2.91Å; L179-I183 VanDerWaalsContact O-N 3.09Å
180	L	38.6	Very low	36.5	Very low	93 Å²	93	142.9 Å²	142.9	49%	0.487	69%	0.69	S	S	.	*	H	α-helix	trans	-58.5	-27.4	174.7	-87.3	160.8	0	0	0	113.3	K184	L180-K184 WeakPolarHBondContact O-CG 3.37Å; L180-K184 PolarHBondContact O-N 3.22Å
181	R	39.3	Very low	36.4	Very low	189 Å²	189	144.6 Å²	144.6	71%	0.713	69%	0.694	S	S	*	*	H	α-helix	trans	-70.9	-48.2	170.6	-78.4	-179.6	-178.8	-164.8	0.7	112.3	N177 L179 I183 K184 T185	N177-R181 WeakPolarHBondContact O-CG 3.26Å; N177-R181 PolarHBondContact O-N 3.25Å; L179-R181 PolarHBondContact O-N 3.5Å; R181-I183 VanDerWaalsContact C-N 3.32Å; R181-I183 PolarHBondContact O-N 2.96Å; R181-K184 PolarHBondContact O-N 2.83Å; R181-T185 WeakPolarHBondContact O-CG2 3.49Å; R181-T185 PolarHBondContact O-N 3.4Å; R181-T185 PolarHBondContact O-OG1 3.18Å; R181-T185 VanDerWaalsContact O-OG1 3.13Å
182	R	40.1	Very low	36.7	Very low	181 Å²	181	143.7 Å²	143.7	68%	0.683	70%	0.696	S	S	*	*	H	α-helix	trans	-54.3	-47.3	176.4	-83.6	-175.2	168.3	172.2	-4.6	112.1	L179 K184 T185	L179-R182 PolarHBondContact O-N 3.41Å; R182-K184 PolarHBondContact O-N 3.34Å; R182-T185 WeakPolarHBondContact CA-OG1 3.49Å; R182-T185 PolarHBondContact O-N 3.15Å; R182-T185 PolarHBondContact O-OG1 3.26Å
183	I	45	Very low	37	Very low	126 Å²	126	142.7 Å²	142.7	65%	0.646	69%	0.687	S	S	*	*	H	α-helix	trans	-60.9	-30.4	179	-64.5	167.4	0	0	0	112	L179 R181	L179-I183 PolarHBondContact O-N 2.91Å; L179-I183 VanDerWaalsContact O-N 3.09Å; R181-I183 VanDerWaalsContact C-N 3.32Å; R181-I183 PolarHBondContact O-N 2.96Å
184	K	37.8	Very low	37.3	Very low	146 Å²	146	139.2 Å²	139.2	64%	0.635	67%	0.672	S	S	*	*	H	α-helix	trans	-87.8	-20.8	178.1	-72.2	-176.7	177.1	-172.8	0	114.3	L180 R181 R182	L180-K184 WeakPolarHBondContact O-CG 3.37Å; L180-K184 PolarHBondContact O-N 3.22Å; R181-K184 PolarHBondContact O-N 2.83Å; R182-K184 PolarHBondContact O-N 3.34Å
185	T	39.2	Very low	37.3	Very low	110 Å²	110	138.4 Å²	138.4	68%	0.675	67%	0.668	S	S	*	*	H	α-helix	trans	-84.9	-16.3	-176.1	44.8	0	0	0	0	115.6	R181 R182 R187	R181-T185 WeakPolarHBondContact O-CG2 3.49Å; R181-T185 PolarHBondContact O-N 3.4Å; R181-T185 PolarHBondContact O-OG1 3.18Å; R181-T185 VanDerWaalsContact O-OG1 3.13Å; R182-T185 WeakPolarHBondContact CA-OG1 3.49Å; R182-T185 PolarHBondContact O-N 3.15Å; R182-T185 PolarHBondContact O-OG1 3.26Å; T185-R187 VanDerWaalsContact C-N 3.32Å; T185-R187 PolarHBondContact O-N 3.14Å
186	E	38.1	Very low	37.2	Very low	132 Å²	132	137.6 Å²	137.6	62%	0.617	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	14.2	-177.6	-66.3	-175.3	-173	0	0	114.3	H188 R326	E186-H188 PolarHBondContact O-N 3.39Å; E186-R326 IonicContact OE2-NH1 3.2Å
187	R	36.5	Very low	37.3	Very low	150 Å²	150	135.1 Å²	135.1	57%	0.566	65%	0.652	S	S	*	*			trans	-73.2	33.7	-172.1	-81.5	-175.4	157.9	-163.1	-8.9	115.9	T185 E198	T185-R187 VanDerWaalsContact C-N 3.32Å; T185-R187 PolarHBondContact O-N 3.14Å; R187-E198 IonicContact CZ-OE1 3.88Å; R187-E198 VanDerWaalsContact NH2-CD 3.28Å; R187-E198 IonicContact NH2-OE1 2.7Å; R187-E198 PolarHBondContact NH2-OE1 3.29Å; R187-E198 IonicContact NH2-OE2 3.59Å; R187-E198 PolarHBondContact NH2-OE2 3.06Å
188	H	33.7	Very low	37.2	Very low	184 Å²	184	137 Å²	137	85%	0.852	66%	0.658	S	S	*	*			trans	-134.6	50.1	-177.6	-98.2	31.8	0	0	0	114.7	E186	E186-H188 PolarHBondContact O-N 3.39Å
189	C	32.2	Very low	37.4	Very low	112 Å²	112	135.3 Å²	135.3	76%	0.757	66%	0.657	S	S	*	*	S	Bend	trans	-159	150.7	152.5	-101.3	0	0	0	0	111.2
190	N	31.7	Very low	37.4	Very low	146 Å²	146	137.2 Å²	137.2	78%	0.781	67%	0.668	S	S	*	*			trans	59.9	65.4	172.6	-58.1	-13.1	0	0	0	116.5	V192	N190-V192 PolarHBondContact O-N 2.89Å
191	N	30.7	Very low	37.6	Very low	133 Å²	133	135.8 Å²	135.8	71%	0.711	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	32.7	-166.9	-146.4	28.4	0	0	0	115.9
192	V	36.2	Very low	38.2	Very low	140 Å²	140	136.3 Å²	136.3	85%	0.848	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	-16	-167.5	-177.7	0	0	0	0	114.7	N190	N190-V192 PolarHBondContact O-N 2.89Å
193	Q	37.6	Very low	39.2	Very low	141 Å²	141	130.4 Å²	130.4	66%	0.659	66%	0.657	S	S	*	*	S	Bend	trans	-128.1	-3.6	-169.8	-136.3	153.3	-33.3	0	0	115.5
194	F	35.9	Very low	40.5	Very low	94 Å²	94	127 Å²	127	41%	0.412	64%	0.644	S	S	.	*	S	Bend	trans	-86.8	-22.4	-174	-95.4	-96.6	0	0	0	115.5	I196 I197 E198	F194-I196 PolarHBondContact O-N 3.12Å; F194-I197 PolarHBondContact O-N 3.08Å; F194-E198 PolarHBondContact O-N 3.24Å
195	N	33.2	Very low	42.6	Very low	118 Å²	118	126 Å²	126	63%	0.631	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-11.9	-171.1	-69.8	-3.5	0	0	0	115
196	I	35.9	Very low	44.7	Very low	138 Å²	138	127.4 Å²	127.4	71%	0.708	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-29.1	175.6	-60.6	176.8	0	0	0	110.9	F194	F194-I196 PolarHBondContact O-N 3.12Å
197	I	41.2	Very low	46.9	Very low	85 Å²	85	125.1 Å²	125.1	44%	0.436	64%	0.635	S	S	.	*	H	α-helix	trans	-82.6	-37.9	-176.9	-58.5	177.2	0	0	0	111.3	F194 K199	F194-I197 PolarHBondContact O-N 3.08Å; I197-K199 PolarHBondContact O-N 3.48Å; I197-K199 VanDerWaalsContact O-N 3.09Å
198	E	38.4	Very low	49.4	Very low	131 Å²	131	121.3 Å²	121.3	61%	0.612	63%	0.626	S	S	*	*	H	α-helix	trans	-67	-7.1	179	-73.5	-162.6	166.7	0	0	114.4	R187 F194	R187-E198 IonicContact CZ-OE1 3.88Å; R187-E198 VanDerWaalsContact NH2-CD 3.28Å; R187-E198 IonicContact NH2-OE1 2.7Å; R187-E198 PolarHBondContact NH2-OE1 3.29Å; R187-E198 IonicContact NH2-OE2 3.59Å; R187-E198 PolarHBondContact NH2-OE2 3.06Å; F194-E198 PolarHBondContact O-N 3.24Å
199	K	42.2	Very low	52.1	Low	183 Å²	183	118.7 Å²	118.7	80%	0.796	61%	0.612	S	S	*	*	H	α-helix	trans	-101.9	-28.1	177.6	-77.1	-165.5	172.3	-172.2	0	116	I197	I197-K199 PolarHBondContact O-N 3.48Å; I197-K199 VanDerWaalsContact O-N 3.09Å
200	N	41.1	Very low	54.9	Low	150 Å²	150	117 Å²	117	80%	0.802	60%	0.595	S	S	*	*	H	α-helix	trans	-112.9	9.4	-168.3	-78.9	14.2	0	0	0	115.2
201	C	43.9	Very low	57.8	Low	62 Å²	62	110.1 Å²	110.1	42%	0.419	56%	0.558	S	S	.	*			trans	-143.7	97.7	172	-161.4	0	0	0	0	112.3	L203	C201-L203 PolarHBondContact O-N 3.5Å
202	Q	52.2	Low	60.8	Low	201 Å²	201	107.7 Å²	107.7	94%	0.939	54%	0.541	S	S	*	.			trans	-70.5	90	155.2	-71.8	-166	14.7	0	0	107.8	S204	Q202-S204 PolarHBondContact O-N 3.22Å; Q202-S204 VanDerWaalsContact O-N 3.08Å
203	L	61.3	Low	63.6	Low	57 Å²	57	105.2 Å²	105.2	30%	0.298	52%	0.523	S	S	.	.			trans	-61.9	111.5	179.6	-138.6	156.6	0	0	0	108.2	C201 R207 L208 L320	C201-L203 PolarHBondContact O-N 3.5Å; L203-R207 HydrophobicContact CD2-CB 3.64Å; L203-L208 HydrophobicContact CD2-CD2 4.02Å; L203-L208 HydrophobicContact CD2-CG 3.91Å; L203-L208 WeakPolarHBondContact O-CD1 3.45Å; L203-L320 HydrophobicContact CD1-CD2 3.97Å; L203-L320 HydrophobicContact CD2-CD2 3.88Å
204	S	72.5	Confident	66.3	Low	53 Å²	53	102.6 Å²	102.6	37%	0.371	51%	0.511	S	S	.	.			trans	-58.9	148.1	-168.3	69	0	0	0	0	111.7	Q202 E206 R207 L208	Q202-S204 PolarHBondContact O-N 3.22Å; Q202-S204 VanDerWaalsContact O-N 3.08Å; S204-E206 PolarHBondContact O-N 3.42Å; S204-E206 VanDerWaalsContact O-N 3.16Å; S204-R207 PolarHBondContact O-N 2.85Å; S204-R207 VanDerWaalsContact O-N 3.08Å; S204-R207 WeakPolarHBondContact OG-CB 3.33Å; S204-R207 PolarHBondContact OG-N 2.95Å; S204-R207 VanDerWaalsContact OG-N 3.08Å; S204-L208 PolarHBondContact O-N 2.92Å
205	T	80.1	Confident	69.2	Low	127 Å²	127	98.3 Å²	98.3	78%	0.779	49%	0.492	S	S	*	.	H	α-helix	trans	-55	-32.5	175.9	45	0	0	0	0	111.9	K209	T205-K209 WeakPolarHBondContact O-CB 3.47Å; T205-K209 PolarHBondContact O-N 3.45Å
206	E	84.2	Confident	72.1	Confident	139 Å²	139	97.8 Å²	97.8	65%	0.65	49%	0.489	S	S	*	.	H	α-helix	trans	-68	-51.2	172.4	-174.8	170.5	-136.9	0	0	113.1	S204 L208 K209 I210	S204-E206 PolarHBondContact O-N 3.42Å; S204-E206 VanDerWaalsContact O-N 3.16Å; E206-L208 PolarHBondContact O-N 3.3Å; E206-K209 WeakPolarHBondContact O-CA 3.49Å; E206-K209 WeakPolarHBondContact O-CB 3.32Å; E206-K209 PolarHBondContact O-N 3.47Å; E206-I210 HydrophobicContact CG-CD1 4.08Å; E206-I210 WeakPolarHBondContact O-CG1 3.14Å; E206-I210 PolarHBondContact O-N 2.85Å
207	R	84.8	Confident	75	Confident	84 Å²	84	94.9 Å²	94.9	32%	0.317	47%	0.473	S	S	.	.	H	α-helix	trans	-59	-37.2	173.8	-89.5	-167.9	162.8	-144.7	-12.5	111.9	L203 S204 K209 A211 D314	L203-R207 HydrophobicContact CD2-CB 3.64Å; S204-R207 PolarHBondContact O-N 2.85Å; S204-R207 VanDerWaalsContact O-N 3.08Å; S204-R207 WeakPolarHBondContact OG-CB 3.33Å; S204-R207 PolarHBondContact OG-N 2.95Å; S204-R207 VanDerWaalsContact OG-N 3.08Å; R207-K209 VanDerWaalsContact C-N 3.32Å; R207-A211 VanDerWaalsContact O-CB 3.25Å; R207-A211 WeakPolarHBondContact O-CB 3.48Å; R207-A211 PolarHBondContact O-N 3.26Å; R207-D314 IonicContact CZ-OD1 3.97Å; R207-D314 IonicContact CZ-OD2 2.73Å; R207-D314 PolarHBondContact NH1-O 2.98Å; R207-D314 IonicContact NH1-OD1 2.73Å; R207-D314 PolarHBondContact NH1-OD1 3.05Å; R207-D314 IonicContact NH1-OD2 3.95Å; R207-D314 VanDerWaalsContact NH2-CG 3.28Å; R207-D314 IonicContact NH2-OD1 3.96Å; R207-D314 PolarHBondContact NH2-OD1 2.93Å; R207-D314 IonicContact NH2-OD2 2.79Å; R207-D314 PolarHBondContact NH2-OD2 3.21Å
208	L	87.7	Confident	77.6	Confident	70 Å²	70	91 Å²	91	37%	0.366	45%	0.453	S	S	.	.	H	α-helix	trans	-67.9	-28	173.8	-74.9	170.3	0	0	0	113.3	L203 S204 E206 K212 L320	L203-L208 HydrophobicContact CD2-CD2 4.02Å; L203-L208 HydrophobicContact CD2-CG 3.91Å; L203-L208 WeakPolarHBondContact O-CD1 3.45Å; S204-L208 PolarHBondContact O-N 2.92Å; E206-L208 PolarHBondContact O-N 3.3Å; L208-K212 WeakPolarHBondContact O-CG 3.03Å; L208-K212 PolarHBondContact O-N 3.35Å; L208-L320 HydrophobicContact CD2-CD1 4.4Å; L208-L320 HydrophobicContact CD2-CD2 3.97Å
209	K	90.4	Very high	80.3	Confident	129 Å²	129	87.6 Å²	87.6	56%	0.561	44%	0.439	S	S	*	.	H	α-helix	trans	-75.8	-50.1	173.7	-173	-169	169.9	-166.3	0	110.8	T205 E206 R207 A211 K212 D213	T205-K209 WeakPolarHBondContact O-CB 3.47Å; T205-K209 PolarHBondContact O-N 3.45Å; E206-K209 WeakPolarHBondContact O-CA 3.49Å; E206-K209 WeakPolarHBondContact O-CB 3.32Å; E206-K209 PolarHBondContact O-N 3.47Å; R207-K209 VanDerWaalsContact C-N 3.32Å; K209-A211 VanDerWaalsContact C-N 3.26Å; K209-A211 PolarHBondContact O-N 2.92Å; K209-K212 WeakPolarHBondContact O-CA 3.45Å; K209-K212 WeakPolarHBondContact O-CB 3.3Å; K209-K212 PolarHBondContact O-N 3.08Å; K209-D213 WeakPolarHBondContact CE-OD2 3.41Å; K209-D213 PolarHBondContact O-N 3.1Å
210	I	92.3	Very high	82.8	Confident	77 Å²	77	86.3 Å²	86.3	40%	0.395	43%	0.433	S	S	.	.	H	α-helix	trans	-55.3	-44.7	176.4	-62.2	164.6	0	0	0	110.1	E206 K212 D213 E214	E206-I210 HydrophobicContact CG-CD1 4.08Å; E206-I210 WeakPolarHBondContact O-CG1 3.14Å; E206-I210 PolarHBondContact O-N 2.85Å; I210-K212 VanDerWaalsContact C-N 3.32Å; I210-K212 PolarHBondContact O-N 2.85Å; I210-D213 PolarHBondContact O-N 2.95Å; I210-E214 HydrophobicContact CG2-CG 4.38Å; I210-E214 WeakPolarHBondContact O-CB 3.35Å; I210-E214 WeakPolarHBondContact O-CG 3.44Å; I210-E214 PolarHBondContact O-N 2.72Å
211	A	92.7	Very high	85.2	Confident	0 Å²	0	81.6 Å²	81.6	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-61.9	-32.1	175.4	0	0	0	0	0	114.3	R207 K209 V215 Y317 L320 L321 M324	R207-A211 VanDerWaalsContact O-CB 3.25Å; R207-A211 WeakPolarHBondContact O-CB 3.48Å; R207-A211 PolarHBondContact O-N 3.26Å; K209-A211 VanDerWaalsContact C-N 3.26Å; K209-A211 PolarHBondContact O-N 2.92Å; A211-V215 VanDerWaalsContact O-CB 3.28Å; A211-V215 WeakPolarHBondContact O-CB 2.95Å; A211-V215 WeakPolarHBondContact O-CG2 3.42Å; A211-V215 PolarHBondContact O-N 2.92Å; A211-Y317 HydrophobicContact CB-CE2 3.93Å; A211-L320 HydrophobicContact CB-CD2 3.78Å; A211-L320 HydrophobicContact CB-CG 4.42Å; A211-L321 HydrophobicContact CB-CD2 3.78Å; A211-M324 HydrophobicContact CB-CE 4.44Å; A211-M324 HydrophobicContact CB-SD 4.13Å; A211-M324 WeakPolarHBondContact O-CE 3.35Å
212	K	93.2	Very high	87.6	Confident	82 Å²	82	85.5 Å²	85.5	36%	0.357	42%	0.418	S	S	.	.	H	α-helix	trans	-70.8	-49.7	172.3	-74.2	169	179.1	179.3	0	110.5	E176 L208 K209 I210 E214 V215 D216 M324	E176-K212 IonicContact OE1-NZ 2.72Å; E176-K212 PolarHBondContact OE1-NZ 3.5Å; E176-K212 VanDerWaalsContact OE1-NZ 3.1Å; L208-K212 WeakPolarHBondContact O-CG 3.03Å; L208-K212 PolarHBondContact O-N 3.35Å; K209-K212 WeakPolarHBondContact O-CA 3.45Å; K209-K212 WeakPolarHBondContact O-CB 3.3Å; K209-K212 PolarHBondContact O-N 3.08Å; I210-K212 VanDerWaalsContact C-N 3.32Å; I210-K212 PolarHBondContact O-N 2.85Å; K212-E214 VanDerWaalsContact C-N 3.33Å; K212-E214 PolarHBondContact O-N 2.92Å; K212-V215 PolarHBondContact O-N 3.39Å; K212-V215 VanDerWaalsContact O-N 3.1Å; K212-D216 PolarHBondContact O-N 3.35Å; K212-M324 HydrophobicContact CB-CE 4.28Å; K212-M324 HydrophobicContact CG-CE 3.82Å
213	D	94.3	Very high	89.6	Confident	88 Å²	88	79 Å²	79	47%	0.471	39%	0.386	S	S	.	.	H	α-helix	trans	-63.2	-39.7	-175.3	-63	-19.9	0	0	0	111	K209 I210 E217	K209-D213 WeakPolarHBondContact CE-OD2 3.41Å; K209-D213 PolarHBondContact O-N 3.1Å; I210-D213 PolarHBondContact O-N 2.95Å; D213-E217 PolarHBondContact O-N 2.74Å
214	E	95.1	Very high	91.3	Very high	86 Å²	86	76.5 Å²	76.5	40%	0.402	37%	0.373	S	S	.	.	H	α-helix	trans	-64.8	-42.7	171.1	-74.2	-174.7	168.4	0	0	112.8	I210 K212 A218 I244 Y317	I210-E214 HydrophobicContact CG2-CG 4.38Å; I210-E214 WeakPolarHBondContact O-CB 3.35Å; I210-E214 WeakPolarHBondContact O-CG 3.44Å; I210-E214 PolarHBondContact O-N 2.72Å; K212-E214 VanDerWaalsContact C-N 3.33Å; K212-E214 PolarHBondContact O-N 2.92Å; E214-A218 WeakPolarHBondContact O-CB 3.27Å; E214-A218 PolarHBondContact O-N 3.13Å; E214-I244 HydrophobicContact CB-CD1 4.31Å; E214-Y317 VanDerWaalsContact CD-OH 3.24Å; E214-Y317 PolarHBondContact OE2-OH 3.39Å
215	V	95.7	Very high	92.5	Very high	4 Å²	4	74 Å²	74	2%	0.024	36%	0.356	C	S	.	.	H	α-helix	trans	-67.4	-46.2	-179.7	164.5	0	0	0	0	112	A211 K212 E217 A218 I219 I244 L321 M324 V325	A211-V215 VanDerWaalsContact O-CB 3.28Å; A211-V215 WeakPolarHBondContact O-CB 2.95Å; A211-V215 WeakPolarHBondContact O-CG2 3.42Å; A211-V215 PolarHBondContact O-N 2.92Å; K212-V215 PolarHBondContact O-N 3.39Å; K212-V215 VanDerWaalsContact O-N 3.1Å; V215-E217 VanDerWaalsContact C-N 3.33Å; V215-E217 PolarHBondContact O-N 3.01Å; V215-A218 PolarHBondContact O-N 2.86Å; V215-I219 HydrophobicContact CG1-CD1 3.62Å; V215-I219 HydrophobicContact CG1-CG1 4.31Å; V215-I219 WeakPolarHBondContact O-CB 3.49Å; V215-I219 VanDerWaalsContact O-CG1 3.24Å; V215-I219 WeakPolarHBondContact O-CG1 3.4Å; V215-I219 PolarHBondContact O-N 3.07Å; V215-I244 HydrophobicContact CB-CD1 4.23Å; V215-I244 HydrophobicContact CG2-CD1 3.55Å; V215-L321 HydrophobicContact CG2-CD2 3.82Å; V215-M324 HydrophobicContact CB-CE 4.18Å; V215-M324 HydrophobicContact CG1-CB 4.09Å; V215-M324 HydrophobicContact CG2-CB 3.88Å; V215-M324 HydrophobicContact CG2-CE 4.05Å; V215-M324 HydrophobicContact CG2-SD 4.39Å; V215-V325 HydrophobicContact CG1-CG1 3.94Å; V215-V325 HydrophobicContact CG2-CG1 4.29Å
216	D	95.5	Very high	93.2	Very high	107 Å²	107	68 Å²	68	57%	0.572	32%	0.319	S	S	*	.	H	α-helix	trans	-65.4	-37.9	-178.9	-76.3	-17.6	0	0	0	111.1	K212 K220	K212-D216 PolarHBondContact O-N 3.35Å; D216-K220 WeakPolarHBondContact O-CB 3.44Å; D216-K220 PolarHBondContact O-N 2.64Å
217	E	95.7	Very high	93.7	Very high	78 Å²	78	62 Å²	62	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-70.8	-39	172.3	-175.2	53.3	-127	0	0	112.5	D213 V215 I219 K220 S221	D213-E217 PolarHBondContact O-N 2.74Å; V215-E217 VanDerWaalsContact C-N 3.33Å; V215-E217 PolarHBondContact O-N 3.01Å; E217-I219 VanDerWaalsContact C-N 3.34Å; E217-I219 PolarHBondContact O-N 3.24Å; E217-K220 PolarHBondContact O-N 2.97Å; E217-K220 WeakPolarHBondContact OE2-CD 3.1Å; E217-K220 WeakPolarHBondContact OE2-CE 3.23Å; E217-K220 IonicContact OE2-NZ 2.64Å; E217-K220 PolarHBondContact OE2-NZ 2.98Å; E217-S221 WeakPolarHBondContact O-CB 3.42Å; E217-S221 PolarHBondContact O-N 2.99Å; E217-S221 WeakPolarHBondContact OE1-CB 3.29Å; E217-S221 PolarHBondContact OE1-OG 3.37Å
218	A	95.7	Very high	93.9	Very high	3 Å²	3	59.6 Å²	59.6	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-38.2	175.3	0	0	0	0	0	112.3	E214 V215 R222 K223 I244	E214-A218 WeakPolarHBondContact O-CB 3.27Å; E214-A218 PolarHBondContact O-N 3.13Å; V215-A218 PolarHBondContact O-N 2.86Å; A218-R222 CarbonylContact O-C 3.51Å; A218-R222 WeakPolarHBondContact O-CA 3.42Å; A218-R222 PolarHBondContact O-N 2.94Å; A218-K223 PolarHBondContact O-N 3.41Å; A218-I244 HydrophobicContact CB-CB 4.2Å; A218-I244 HydrophobicContact CB-CD1 3.61Å; A218-I244 HydrophobicContact CB-CG1 3.77Å
219	I	94.8	Very high	93.8	Very high	59 Å²	59	57.6 Å²	57.6	30%	0.303	28%	0.28	S	S	.	.	H	α-helix	trans	-63.9	-52.8	172.9	-69.7	167.9	0	0	0	110	V215 E217 S221 R222 I224 V325 E328	V215-I219 HydrophobicContact CG1-CD1 3.62Å; V215-I219 HydrophobicContact CG1-CG1 4.31Å; V215-I219 WeakPolarHBondContact O-CB 3.49Å; V215-I219 VanDerWaalsContact O-CG1 3.24Å; V215-I219 WeakPolarHBondContact O-CG1 3.4Å; V215-I219 PolarHBondContact O-N 3.07Å; E217-I219 VanDerWaalsContact C-N 3.34Å; E217-I219 PolarHBondContact O-N 3.24Å; I219-S221 PolarHBondContact O-N 3.33Å; I219-R222 WeakPolarHBondContact O-CA 3.49Å; I219-R222 PolarHBondContact O-N 3.05Å; I219-I224 HydrophobicContact CG1-CD1 3.92Å; I219-V325 HydrophobicContact CG1-CG1 4.47Å; I219-E328 HydrophobicContact CD1-CG 4.3Å; I219-E328 HydrophobicContact CG1-CG 4.15Å
220	K	94.8	Very high	93.7	Very high	156 Å²	156	53.3 Å²	53.3	68%	0.678	27%	0.266	S	S	*	.	H	α-helix	trans	-58.1	-46.7	-179.1	173	-178.8	155.2	-151.5	0	112.8	D216 E217 R222	D216-K220 WeakPolarHBondContact O-CB 3.44Å; D216-K220 PolarHBondContact O-N 2.64Å; E217-K220 PolarHBondContact O-N 2.97Å; E217-K220 WeakPolarHBondContact OE2-CD 3.1Å; E217-K220 WeakPolarHBondContact OE2-CE 3.23Å; E217-K220 IonicContact OE2-NZ 2.64Å; E217-K220 PolarHBondContact OE2-NZ 2.98Å; K220-R222 VanDerWaalsContact C-N 3.26Å; K220-R222 PolarHBondContact O-N 2.93Å
221	S	92.9	Very high	93.5	Very high	51 Å²	51	50.5 Å²	50.5	36%	0.357	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	1.5	174.8	-79.7	0	0	0	0	113.9	E217 I219 K223	E217-S221 WeakPolarHBondContact O-CB 3.42Å; E217-S221 PolarHBondContact O-N 2.99Å; E217-S221 WeakPolarHBondContact OE1-CB 3.29Å; E217-S221 PolarHBondContact OE1-OG 3.37Å; I219-S221 PolarHBondContact O-N 3.33Å; S221-K223 PolarHBondContact O-N 3.02Å
222	R	93.2	Very high	93.4	Very high	144 Å²	144	52.9 Å²	52.9	54%	0.543	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	27.9	-175	-53.7	-172.5	-179.1	-159.1	-4.1	114.7	A218 I219 K220 I224 R331 D349	A218-R222 CarbonylContact O-C 3.51Å; A218-R222 WeakPolarHBondContact O-CA 3.42Å; A218-R222 PolarHBondContact O-N 2.94Å; I219-R222 WeakPolarHBondContact O-CA 3.49Å; I219-R222 PolarHBondContact O-N 3.05Å; K220-R222 VanDerWaalsContact C-N 3.26Å; K220-R222 PolarHBondContact O-N 2.93Å; R222-I224 PolarHBondContact O-N 2.66Å; R222-R331 VanDerWaalsContact O-CB 3.23Å; R222-R331 WeakPolarHBondContact O-CB 3.45Å; R222-R331 WeakPolarHBondContact O-CD 3.38Å; R222-D349 IonicContact CZ-OD2 3.95Å; R222-D349 IonicContact NH1-OD2 3.19Å; R222-D349 PolarHBondContact NH1-OD2 2.73Å
223	K	95.9	Very high	93.4	Very high	64 Å²	64	54.6 Å²	54.6	28%	0.278	27%	0.267	S	S	.	.			trans	-83.5	55.1	-179.9	-65.9	-174	-179.2	-177.5	0	112.1	A218 S221 R241 G242 W243 I244	A218-K223 PolarHBondContact O-N 3.41Å; S221-K223 PolarHBondContact O-N 3.02Å; K223-R241 PolarHBondContact NZ-O 3.1Å; K223-G242 WeakPolarHBondContact CD-O 3.47Å; K223-W243 VanDerWaalsContact CA-CE3 3.44Å; K223-W243 HydrophobicContact CB-CB 4.13Å; K223-W243 HydrophobicContact CB-CD2 3.69Å; K223-W243 HydrophobicContact CB-CE3 4.06Å; K223-W243 HydrophobicContact CB-CG 3.7Å; K223-W243 HydrophobicContact CD-CG 4.39Å; K223-W243 HydrophobicContact CG-CD2 4.12Å; K223-W243 HydrophobicContact CG-CG 4.23Å; K223-W243 CarbonylContact O-C 3.57Å; K223-W243 WeakPolarHBondContact O-CA 3.39Å; K223-W243 WeakPolarHBondContact O-CB 3.25Å; K223-I244 PolarHBondContact O-N 2.82Å
224	I	96.4	Very high	93.4	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.6	177.1	-56.3	175.6	0	0	0	108.4	I219 R222 I244 K246 V325 E328 P330 R331 F332	I219-I224 HydrophobicContact CG1-CD1 3.92Å; R222-I224 PolarHBondContact O-N 2.66Å; I224-I244 WeakPolarHBondContact CA-O 3.43Å; I224-K246 HydrophobicContact CG2-CB 4.45Å; I224-V325 HydrophobicContact CD1-CB 4.19Å; I224-V325 HydrophobicContact CD1-CG1 3.99Å; I224-V325 HydrophobicContact CG1-CG1 4.38Å; I224-V325 HydrophobicContact CG2-CB 4.46Å; I224-V325 HydrophobicContact CG2-CG2 4.36Å; I224-E328 HydrophobicContact CD1-CB 3.49Å; I224-E328 VanDerWaalsContact CD1-CB 3.49Å; I224-E328 HydrophobicContact CD1-CG 3.8Å; I224-P330 CarbonylContact O-C 3.55Å; I224-P330 WeakPolarHBondContact O-CA 3.35Å; I224-R331 PolarHBondContact O-N 2.73Å; I224-F332 PolarHBondContact O-N 2.65Å
225	F	96.9	Very high	93.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	166.6	-179	77.3	-82.2	0	0	0	112.9	I227 L238 R239 W243 I244 E245 K246 F332	F225-I227 HydrophobicContact CD2-CD1 4.08Å; F225-I227 HydrophobicContact CD2-CG1 3.76Å; F225-I227 HydrophobicContact CE2-CD1 3.61Å; F225-I227 HydrophobicContact CE2-CG1 3.72Å; F225-L238 HydrophobicContact CB-CD1 3.99Å; F225-L238 HydrophobicContact CD1-CB 3.99Å; F225-L238 HydrophobicContact CD1-CD1 4.25Å; F225-L238 HydrophobicContact CD2-CB 4.34Å; F225-L238 HydrophobicContact CD2-CD1 3.39Å; F225-L238 HydrophobicContact CE1-CB 3.79Å; F225-L238 HydrophobicContact CE2-CB 4.19Å; F225-L238 HydrophobicContact CE2-CD1 3.81Å; F225-L238 HydrophobicContact CG-CB 4.24Å; F225-L238 HydrophobicContact CG-CD1 3.63Å; F225-L238 HydrophobicContact CZ-CB 3.88Å; F225-L238 HydrophobicContact CZ-CD1 4.35Å; F225-R239 HydrophobicContact CE1-CG 4.26Å; F225-R239 HydrophobicContact CZ-CG 4.15Å; F225-W243 HydrophobicContact CB-CE3 4.03Å; F225-W243 HydrophobicContact CD1-CB 3.59Å; F225-W243 HydrophobicContact CE1-CB 3.96Å; F225-I244 VanDerWaalsContact CD1-C 3.41Å; F225-I244 WeakPolarHBondContact CD1-O 3.45Å; F225-I244 VanDerWaalsContact CE1-C 3.48Å; F225-I244 PolarHBondContact N-O 2.92Å; F225-E245 HydrophobicContact CD1-CB 4.34Å; F225-E245 HydrophobicContact CD2-CG 4.17Å; F225-E245 HydrophobicContact CE1-CB 3.72Å; F225-E245 HydrophobicContact CE1-CG 4.36Å; F225-E245 HydrophobicContact CE2-CB 3.89Å; F225-E245 HydrophobicContact CE2-CG 3.6Å; F225-E245 HydrophobicContact CZ-CB 3.48Å; F225-E245 VanDerWaalsContact CZ-CB 3.48Å; F225-E245 HydrophobicContact CZ-CG 3.74Å; F225-E245 CarbonylContact O-C 3.55Å; F225-K246 PolarHBondContact O-N 3.43Å; F225-F332 CarbonylContact C-O 3.56Å; F225-F332 WeakPolarHBondContact CA-O 3.37Å; F225-F332 HydrophobicContact CB-CB 4.03Å; F225-F332 HydrophobicContact CB-CD1 4.36Å; F225-F332 WeakPolarHBondContact CB-O 3.48Å
226	S	95.8	Very high	93.4	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.007	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	145.3	171.2	-167.2	0	0	0	0	110.3	K246 V249 F332 W334	S226-K246 WeakPolarHBondContact CB-O 3.44Å; S226-K246 PolarHBondContact OG-O 2.97Å; S226-V249 WeakPolarHBondContact OG-CG1 3.39Å; S226-V249 WeakPolarHBondContact OG-CG2 3.49Å; S226-F332 PolarHBondContact N-O 2.81Å; S226-W334 PolarHBondContact O-N 3.47Å
227	I	93.8	Very high	93.4	Very high	14 Å²	14	48.1 Å²	48.1	7%	0.072	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.9	-178.5	-59.1	-175.9	0	0	0	110.2	F225 G229 Y231 I234 R235 W334	F225-I227 HydrophobicContact CD2-CD1 4.08Å; F225-I227 HydrophobicContact CD2-CG1 3.76Å; F225-I227 HydrophobicContact CE2-CD1 3.61Å; F225-I227 HydrophobicContact CE2-CG1 3.72Å; I227-G229 VanDerWaalsContact CG2-O 3.32Å; I227-G229 WeakPolarHBondContact CG2-O 3.44Å; I227-Y231 HydrophobicContact CG2-CD2 4.09Å; I227-I234 HydrophobicContact CD1-CB 4.18Å; I227-I234 HydrophobicContact CD1-CG2 3.88Å; I227-R235 HydrophobicContact CD1-CB 3.79Å; I227-W334 CarbonylContact C-O 3.42Å; I227-W334 VanDerWaalsContact CA-O 3.31Å; I227-W334 WeakPolarHBondContact CA-O 3.32Å; I227-W334 HydrophobicContact CG1-CB 4.33Å
228	L	90.4	Very high	93.5	Very high	33 Å²	33	44.4 Å²	44.4	17%	0.173	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	69.5	176.7	-73.2	160.1	0	0	0	110.2	V249 I251 W334 L336 Q340 V341	L228-V249 HydrophobicContact CD1-CG1 3.75Å; L228-V249 HydrophobicContact CD2-CB 3.79Å; L228-V249 HydrophobicContact CD2-CG1 3.7Å; L228-V249 HydrophobicContact CD2-CG2 4.15Å; L228-V249 HydrophobicContact CG-CB 4.33Å; L228-V249 HydrophobicContact CG-CG1 3.73Å; L228-I251 HydrophobicContact CD1-CD1 4.16Å; L228-W334 PolarHBondContact N-O 2.94Å; L228-L336 WeakPolarHBondContact O-CB 3.32Å; L228-L336 PolarHBondContact O-N 3.4Å; L228-Q340 HydrophobicContact CD1-CB 4.01Å; L228-Q340 PolarHBondContact O-OE1 3.28Å; L228-V341 HydrophobicContact CD1-CG2 4.07Å
229	G	85.7	Confident	93.5	Very high	27 Å²	27	45.9 Å²	45.9	28%	0.278	22%	0.216	S	C	.	.	S	Bend	trans	155.8	175.2	180	0	0	0	0	0	113.1	I227 Y231	I227-G229 VanDerWaalsContact CG2-O 3.32Å; I227-G229 WeakPolarHBondContact CG2-O 3.44Å; G229-Y231 PolarHBondContact O-N 2.85Å
230	P	86.4	Confident	93.5	Very high	39 Å²	39	48.6 Å²	48.6	25%	0.253	24%	0.236	S	C	.	.	S	Bend	trans	-78	31.8	-175	33.8	-37.1	0	0	0	114.1	N232 D297	P230-N232 PolarHBondContact O-N 3.07Å; P230-D297 VanDerWaalsContact CD-OD2 3.28Å; P230-D297 WeakPolarHBondContact CD-OD2 3.43Å; P230-D297 HydrophobicContact CG-CB 3.87Å; P230-D297 WeakPolarHBondContact CG-OD2 3.42Å
231	Y	89.4	Confident	93.5	Very high	18 Å²	18	43.3 Å²	43.3	7%	0.071	21%	0.212	C	C	.	.			trans	-77.5	59.9	-173.7	-62.4	-77.6	0	0	0	113.6	I227 G229 R233 I234 R235 W334 L336 L802	I227-Y231 HydrophobicContact CG2-CD2 4.09Å; G229-Y231 PolarHBondContact O-N 2.85Å; Y231-R233 PolarHBondContact O-N 2.64Å; Y231-R233 VanDerWaalsContact O-N 3.16Å; Y231-I234 PolarHBondContact O-N 2.93Å; Y231-I234 VanDerWaalsContact O-N 3.08Å; Y231-R235 PolarHBondContact O-N 3.34Å; Y231-W334 AromaticContact CD1-NE1 3.47Å; Y231-W334 AromaticContact CD2-CD1 3.26Å; Y231-W334 HydrophobicContact CD2-CG 4.49Å; Y231-W334 AromaticContact CD2-NE1 3.4Å; Y231-W334 AromaticContact CE1-NE1 3.51Å; Y231-W334 AromaticContact CE2-CD1 3.51Å; Y231-W334 AromaticContact CE2-NE1 3.41Å; Y231-W334 AromaticContact CG-CD1 3.59Å; Y231-W334 AromaticContact CG-NE1 3.41Å; Y231-W334 AromaticContact CZ-NE1 3.47Å; Y231-L336 HydrophobicContact CE2-CB 4.13Å; Y231-L336 HydrophobicContact CE2-CD1 4.34Å; Y231-L336 VanDerWaalsContact OH-CD1 3.22Å; Y231-L336 WeakPolarHBondContact OH-CD1 3.28Å; Y231-L802 HydrophobicContact CD1-CD1 4.46Å; Y231-L802 HydrophobicContact CD1-CD2 4.44Å
232	N	90.8	Very high	93.5	Very high	51 Å²	51	42.9 Å²	42.9	27%	0.273	22%	0.215	S	C	.	.	H	α-helix	trans	-59.2	-26.2	-179.3	-76.3	-20.4	0	0	0	113.8	P230 R235 K236	P230-N232 PolarHBondContact O-N 3.07Å; N232-R235 PolarHBondContact OD1-NH1 2.92Å; N232-K236 WeakPolarHBondContact O-CG 3.15Å; N232-K236 PolarHBondContact O-N 3.41Å; N232-K236 VanDerWaalsContact O-N 3.1Å
233	R	92.1	Very high	93.7	Very high	117 Å²	117	36.4 Å²	36.4	44%	0.442	19%	0.191	S	C	.	.	H	α-helix	trans	-66.2	-51.5	171.6	-170.2	69	173.5	178.8	3	111.5	Y231 R235 K236 A237 A799 L802	Y231-R233 PolarHBondContact O-N 2.64Å; Y231-R233 VanDerWaalsContact O-N 3.16Å; R233-R235 VanDerWaalsContact C-N 3.3Å; R233-R235 PolarHBondContact O-N 3.32Å; R233-K236 PolarHBondContact O-N 3.04Å; R233-A237 VanDerWaalsContact O-CB 3.24Å; R233-A237 WeakPolarHBondContact O-CB 3.35Å; R233-A237 PolarHBondContact O-N 3.24Å; R233-A799 HydrophobicContact CG-CB 4.48Å; R233-A799 WeakPolarHBondContact CG-O 3.18Å; R233-A799 PolarHBondContact NE-O 3.43Å; R233-L802 HydrophobicContact CB-CB 4.47Å; R233-L802 HydrophobicContact CB-CD1 4.08Å; R233-L802 HydrophobicContact CG-CB 4.16Å
234	I	95.3	Very high	93.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-40.9	176.7	-61.4	-65.3	0	0	0	110.8	I227 Y231 A237 L238 F332 W334 L802 L806	I227-I234 HydrophobicContact CD1-CB 4.18Å; I227-I234 HydrophobicContact CD1-CG2 3.88Å; Y231-I234 PolarHBondContact O-N 2.93Å; Y231-I234 VanDerWaalsContact O-N 3.08Å; I234-A237 PolarHBondContact O-N 3.23Å; I234-L238 HydrophobicContact CG2-CD1 3.63Å; I234-L238 HydrophobicContact CG2-CG 4.24Å; I234-L238 WeakPolarHBondContact O-CB 3.47Å; I234-L238 VanDerWaalsContact O-CG 3.3Å; I234-L238 WeakPolarHBondContact O-CG 3.49Å; I234-L238 PolarHBondContact O-N 3.48Å; I234-F332 HydrophobicContact CG2-CE1 4.44Å; I234-W334 HydrophobicContact CD1-CD2 4.27Å; I234-W334 HydrophobicContact CD1-CE3 3.96Å; I234-W334 HydrophobicContact CD1-CH2 3.71Å; I234-W334 HydrophobicContact CD1-CZ2 4.04Å; I234-W334 HydrophobicContact CD1-CZ3 3.66Å; I234-W334 HydrophobicContact CG1-CD2 3.98Å; I234-W334 HydrophobicContact CG1-CE3 4.17Å; I234-W334 HydrophobicContact CG1-CH2 4.25Å; I234-W334 HydrophobicContact CG1-CZ2 4.08Å; I234-W334 HydrophobicContact CG1-CZ3 4.29Å; I234-W334 HydrophobicContact CG2-CB 4.27Å; I234-W334 HydrophobicContact CG2-CD2 4.08Å; I234-W334 HydrophobicContact CG2-CE3 4.08Å; I234-W334 HydrophobicContact CG2-CG 4.17Å; I234-L802 HydrophobicContact CD1-CB 3.82Å; I234-L802 HydrophobicContact CD1-CD2 3.98Å; I234-L802 HydrophobicContact CD1-CG 4.45Å; I234-L802 VanDerWaalsContact CD1-O 3.27Å; I234-L802 WeakPolarHBondContact CD1-O 3.13Å; I234-L802 HydrophobicContact CG1-CB 4.31Å; I234-L802 HydrophobicContact CG1-CD2 4.05Å; I234-L806 HydrophobicContact CD1-CD1 3.84Å; I234-L806 HydrophobicContact CD1-CD2 4.18Å; I234-L806 HydrophobicContact CD1-CG 3.89Å; I234-L806 HydrophobicContact CG2-CD1 4.36Å
235	R	96.1	Very high	93.8	Very high	13 Å²	13	33.9 Å²	33.9	5%	0.049	18%	0.18	C	C	.	.	H	α-helix	trans	-54.8	-54.8	174.3	179.6	167	-74.3	121.9	4	112.4	I227 Y231 N232 R233 L238 R239 E245	I227-R235 HydrophobicContact CD1-CB 3.79Å; Y231-R235 PolarHBondContact O-N 3.34Å; N232-R235 PolarHBondContact OD1-NH1 2.92Å; R233-R235 VanDerWaalsContact C-N 3.3Å; R233-R235 PolarHBondContact O-N 3.32Å; R235-L238 PolarHBondContact O-N 2.92Å; R235-R239 VanDerWaalsContact O-CG 3.3Å; R235-R239 WeakPolarHBondContact O-CG 3.49Å; R235-R239 PolarHBondContact O-N 3.05Å; R235-R239 VanDerWaalsContact O-N 3.12Å; R235-E245 WeakPolarHBondContact CD-OE2 3.44Å; R235-E245 WeakPolarHBondContact CG-OE2 3.44Å; R235-E245 IonicContact CZ-OE1 3.03Å; R235-E245 VanDerWaalsContact NE-CD 3.32Å; R235-E245 IonicContact NE-OE1 3.65Å; R235-E245 PolarHBondContact NE-OE1 3.49Å; R235-E245 IonicContact NE-OE2 2.96Å; R235-E245 PolarHBondContact NE-OE2 3.08Å; R235-E245 IonicContact NH2-OE1 3.67Å; R235-E245 PolarHBondContact NH2-OE1 2.85Å
236	K	94.6	Very high	93.7	Very high	134 Å²	134	35 Å²	35	58%	0.583	19%	0.185	S	C	*	.	H	α-helix	trans	-62.9	-44.5	178.4	-71.1	-178.7	178	-173	0	111.2	N232 R233 L238 R239 T240	N232-K236 WeakPolarHBondContact O-CG 3.15Å; N232-K236 PolarHBondContact O-N 3.41Å; N232-K236 VanDerWaalsContact O-N 3.1Å; R233-K236 PolarHBondContact O-N 3.04Å; K236-L238 PolarHBondContact O-N 2.92Å; K236-R239 PolarHBondContact O-N 3.39Å; K236-T240 WeakPolarHBondContact O-CG2 3.44Å; K236-T240 PolarHBondContact O-N 2.94Å; K236-T240 PolarHBondContact O-OG1 3.45Å
237	A	95.9	Very high	93.3	Very high	3 Å²	3	37.2 Å²	37.2	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-30.4	-179.2	0	0	0	0	0	114.9	R233 I234 T240 R241 E803 L806	R233-A237 VanDerWaalsContact O-CB 3.24Å; R233-A237 WeakPolarHBondContact O-CB 3.35Å; R233-A237 PolarHBondContact O-N 3.24Å; I234-A237 PolarHBondContact O-N 3.23Å; A237-T240 PolarHBondContact O-OG1 3.45Å; A237-T240 VanDerWaalsContact O-OG1 3.14Å; A237-R241 WeakPolarHBondContact O-CD 3.31Å; A237-R241 WeakPolarHBondContact O-CG 3.26Å; A237-R241 PolarHBondContact O-NH1 3.44Å; A237-E803 WeakPolarHBondContact CB-OE2 3.42Å; A237-L806 HydrophobicContact CB-CD1 3.48Å; A237-L806 VanDerWaalsContact CB-CD1 3.48Å
238	L	96.9	Very high	92.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-79.8	-41.4	174	-70.9	171.3	0	0	0	111.3	F225 I234 R235 K236 T240 R241 G242 W243 F332 L806 L810	F225-L238 HydrophobicContact CB-CD1 3.99Å; F225-L238 HydrophobicContact CD1-CB 3.99Å; F225-L238 HydrophobicContact CD1-CD1 4.25Å; F225-L238 HydrophobicContact CD2-CB 4.34Å; F225-L238 HydrophobicContact CD2-CD1 3.39Å; F225-L238 HydrophobicContact CE1-CB 3.79Å; F225-L238 HydrophobicContact CE2-CB 4.19Å; F225-L238 HydrophobicContact CE2-CD1 3.81Å; F225-L238 HydrophobicContact CG-CB 4.24Å; F225-L238 HydrophobicContact CG-CD1 3.63Å; F225-L238 HydrophobicContact CZ-CB 3.88Å; F225-L238 HydrophobicContact CZ-CD1 4.35Å; I234-L238 HydrophobicContact CG2-CD1 3.63Å; I234-L238 HydrophobicContact CG2-CG 4.24Å; I234-L238 WeakPolarHBondContact O-CB 3.47Å; I234-L238 VanDerWaalsContact O-CG 3.3Å; I234-L238 WeakPolarHBondContact O-CG 3.49Å; I234-L238 PolarHBondContact O-N 3.48Å; R235-L238 PolarHBondContact O-N 2.92Å; K236-L238 PolarHBondContact O-N 2.92Å; L238-T240 PolarHBondContact O-N 3.25Å; L238-R241 WeakPolarHBondContact O-CB 3.24Å; L238-R241 PolarHBondContact O-N 3.14Å; L238-R241 VanDerWaalsContact O-N 3.1Å; L238-G242 PolarHBondContact O-N 3.42Å; L238-W243 HydrophobicContact CB-CB 4.18Å; L238-W243 HydrophobicContact CB-CG 4.44Å; L238-W243 HydrophobicContact CD2-CD2 4.31Å; L238-W243 HydrophobicContact CD2-CG 4.35Å; L238-W243 VanDerWaalsContact O-CB 3.32Å; L238-W243 WeakPolarHBondContact O-CB 3.32Å; L238-W243 PolarHBondContact O-N 3.18Å; L238-F332 HydrophobicContact CD1-CD1 3.67Å; L238-F332 HydrophobicContact CD1-CE1 3.81Å; L238-F332 HydrophobicContact CD2-CD1 4.3Å; L238-F332 HydrophobicContact CD2-CE1 4.4Å; L238-L806 HydrophobicContact CD2-CD1 4.18Å; L238-L806 HydrophobicContact CD2-CD2 4.18Å; L238-L806 HydrophobicContact CG-CD1 4.1Å; L238-L810 HydrophobicContact CD2-CD1 3.49Å; L238-L810 VanDerWaalsContact CD2-CD1 3.49Å
239	R	95.6	Very high	90.7	Very high	33 Å²	33	39.7 Å²	39.7	13%	0.125	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-43.1	175.6	-70.5	173.1	-176.1	-174.1	6.6	112	F225 R235 K236 R241 G242 E245 P310 E313 Y318	F225-R239 HydrophobicContact CE1-CG 4.26Å; F225-R239 HydrophobicContact CZ-CG 4.15Å; R235-R239 VanDerWaalsContact O-CG 3.3Å; R235-R239 WeakPolarHBondContact O-CG 3.49Å; R235-R239 PolarHBondContact O-N 3.05Å; R235-R239 VanDerWaalsContact O-N 3.12Å; K236-R239 PolarHBondContact O-N 3.39Å; R239-R241 PolarHBondContact O-N 2.79Å; R239-G242 WeakPolarHBondContact O-CA 3.33Å; R239-G242 PolarHBondContact O-N 3.26Å; R239-E245 IonicContact CZ-OE2 3.26Å; R239-E245 IonicContact NE-OE2 2.74Å; R239-E245 PolarHBondContact NE-OE2 3.38Å; R239-E245 IonicContact NH2-OE2 3.2Å; R239-E245 PolarHBondContact NH2-OE2 2.7Å; R239-P310 PolarHBondContact NH2-O 3.32Å; R239-P310 VanDerWaalsContact NH2-O 3.14Å; R239-E313 IonicContact CZ-OE2 2.9Å; R239-E313 IonicContact NH1-OE2 3.21Å; R239-E313 PolarHBondContact NH1-OE2 2.97Å; R239-E313 IonicContact NH2-OE2 3.53Å; R239-Y318 HydrophobicContact CG-CE1 4.32Å; R239-Y318 VanDerWaalsContact NH1-CE2 3.26Å; R239-Y318 VanDerWaalsContact NH1-CG 3.35Å
240	T	94.3	Very high	89	Confident	117 Å²	117	44.2 Å²	44.2	72%	0.718	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.8	174.7	53.6	0	0	0	0	113.9	K236 A237 L238 G242	K236-T240 WeakPolarHBondContact O-CG2 3.44Å; K236-T240 PolarHBondContact O-N 2.94Å; K236-T240 PolarHBondContact O-OG1 3.45Å; A237-T240 PolarHBondContact O-OG1 3.45Å; A237-T240 VanDerWaalsContact O-OG1 3.14Å; L238-T240 PolarHBondContact O-N 3.25Å; T240-G242 PolarHBondContact O-N 3.43Å
241	R	94.5	Very high	87.3	Confident	44 Å²	44	44 Å²	44	17%	0.166	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	6.5	170.8	-71.1	172.9	174.5	77.5	-2.6	113.2	K223 A237 L238 R239 E803 D811	K223-R241 PolarHBondContact NZ-O 3.1Å; A237-R241 WeakPolarHBondContact O-CD 3.31Å; A237-R241 WeakPolarHBondContact O-CG 3.26Å; A237-R241 PolarHBondContact O-NH1 3.44Å; L238-R241 WeakPolarHBondContact O-CB 3.24Å; L238-R241 PolarHBondContact O-N 3.14Å; L238-R241 VanDerWaalsContact O-N 3.1Å; R239-R241 PolarHBondContact O-N 2.79Å; R241-E803 IonicContact CZ-OE1 3.02Å; R241-E803 IonicContact NH1-OE1 2.75Å; R241-E803 PolarHBondContact NH1-OE1 3.41Å; R241-E803 IonicContact NH2-OE1 2.8Å; R241-E803 PolarHBondContact NH2-OE1 3.42Å; R241-D811 WeakPolarHBondContact CD-OD1 3.38Å; R241-D811 IonicContact CZ-OD1 3.54Å; R241-D811 IonicContact CZ-OD2 2.93Å; R241-D811 VanDerWaalsContact CZ-OD2 3.26Å; R241-D811 VanDerWaalsContact NE-CG 3.34Å; R241-D811 IonicContact NE-OD1 3.68Å; R241-D811 PolarHBondContact NE-OD1 3.28Å; R241-D811 IonicContact NE-OD2 3.82Å; R241-D811 PolarHBondContact NE-OD2 3Å; R241-D811 IonicContact NH2-OD2 2.66Å; R241-D811 PolarHBondContact NH2-OD2 3.31Å
242	G	94.7	Very high	84.7	Confident	42 Å²	42	44.9 Å²	44.9	43%	0.433	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	37.7	-177	0	0	0	0	0	113.2	K223 L238 R239 T240	K223-G242 WeakPolarHBondContact CD-O 3.47Å; L238-G242 PolarHBondContact O-N 3.42Å; R239-G242 WeakPolarHBondContact O-CA 3.33Å; R239-G242 PolarHBondContact O-N 3.26Å; T240-G242 PolarHBondContact O-N 3.43Å
243	W	97.2	Very high	81.6	Confident	9 Å²	9	44.8 Å²	44.8	3%	0.034	24%	0.24	C	C	.	.			trans	-101.3	145.6	171.5	-62.8	61.2	0	0	0	111.8	K223 F225 L238 R331 F332 L810	K223-W243 VanDerWaalsContact CA-CE3 3.44Å; K223-W243 HydrophobicContact CB-CB 4.13Å; K223-W243 HydrophobicContact CB-CD2 3.69Å; K223-W243 HydrophobicContact CB-CE3 4.06Å; K223-W243 HydrophobicContact CB-CG 3.7Å; K223-W243 HydrophobicContact CD-CG 4.39Å; K223-W243 HydrophobicContact CG-CD2 4.12Å; K223-W243 HydrophobicContact CG-CG 4.23Å; K223-W243 CarbonylContact O-C 3.57Å; K223-W243 WeakPolarHBondContact O-CA 3.39Å; K223-W243 WeakPolarHBondContact O-CB 3.25Å; F225-W243 HydrophobicContact CB-CE3 4.03Å; F225-W243 HydrophobicContact CD1-CB 3.59Å; F225-W243 HydrophobicContact CE1-CB 3.96Å; L238-W243 HydrophobicContact CB-CB 4.18Å; L238-W243 HydrophobicContact CB-CG 4.44Å; L238-W243 HydrophobicContact CD2-CD2 4.31Å; L238-W243 HydrophobicContact CD2-CG 4.35Å; L238-W243 VanDerWaalsContact O-CB 3.32Å; L238-W243 WeakPolarHBondContact O-CB 3.32Å; L238-W243 PolarHBondContact O-N 3.18Å; W243-R331 HydrophobicContact CH2-CG 4.26Å; W243-R331 HydrophobicContact CZ3-CB 4.13Å; W243-R331 HydrophobicContact CZ3-CG 4.3Å; W243-F332 HydrophobicContact CE3-CB 4.21Å; W243-F332 HydrophobicContact CH2-CB 3.98Å; W243-F332 HydrophobicContact CZ3-CB 3.5Å; W243-F332 VanDerWaalsContact CZ3-CB 3.5Å; W243-L810 HydrophobicContact CH2-CD1 4.42Å; W243-L810 HydrophobicContact CH2-CD2 4.05Å; W243-L810 HydrophobicContact CZ2-CD1 3.82Å; W243-L810 HydrophobicContact CZ2-CD2 3.91Å; W243-L810 HydrophobicContact CZ2-CG 4.44Å
244	I	97.3	Very high	78.7	Confident	10 Å²	10	46 Å²	46	5%	0.051	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	136.3	177.8	-65.2	-176.4	0	0	0	110.9	E214 V215 A218 K223 I224 F225 L321 V325	E214-I244 HydrophobicContact CB-CD1 4.31Å; V215-I244 HydrophobicContact CB-CD1 4.23Å; V215-I244 HydrophobicContact CG2-CD1 3.55Å; A218-I244 HydrophobicContact CB-CB 4.2Å; A218-I244 HydrophobicContact CB-CD1 3.61Å; A218-I244 HydrophobicContact CB-CG1 3.77Å; K223-I244 PolarHBondContact O-N 2.82Å; I224-I244 WeakPolarHBondContact CA-O 3.43Å; F225-I244 VanDerWaalsContact CD1-C 3.41Å; F225-I244 WeakPolarHBondContact CD1-O 3.45Å; F225-I244 VanDerWaalsContact CE1-C 3.48Å; F225-I244 PolarHBondContact N-O 2.92Å; I244-L321 HydrophobicContact CD1-CB 4.49Å; I244-L321 HydrophobicContact CD1-CD1 4.36Å; I244-L321 HydrophobicContact CD1-CD2 4.23Å; I244-L321 HydrophobicContact CG1-CD1 4.39Å; I244-L321 HydrophobicContact CG2-CB 3.83Å; I244-V325 HydrophobicContact CG2-CG1 3.97Å; I244-V325 HydrophobicContact CG2-CG2 3.84Å
245	E	96.4	Very high	75.7	Confident	6 Å²	6	49.5 Å²	49.5	3%	0.028	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	139.1	-179.3	-164	163.7	-170	0	0	111.8	F225 R235 R239 F247 S322	F225-E245 HydrophobicContact CD1-CB 4.34Å; F225-E245 HydrophobicContact CD2-CG 4.17Å; F225-E245 HydrophobicContact CE1-CB 3.72Å; F225-E245 HydrophobicContact CE1-CG 4.36Å; F225-E245 HydrophobicContact CE2-CB 3.89Å; F225-E245 HydrophobicContact CE2-CG 3.6Å; F225-E245 HydrophobicContact CZ-CB 3.48Å; F225-E245 VanDerWaalsContact CZ-CB 3.48Å; F225-E245 HydrophobicContact CZ-CG 3.74Å; F225-E245 CarbonylContact O-C 3.55Å; R235-E245 WeakPolarHBondContact CD-OE2 3.44Å; R235-E245 WeakPolarHBondContact CG-OE2 3.44Å; R235-E245 IonicContact CZ-OE1 3.03Å; R235-E245 VanDerWaalsContact NE-CD 3.32Å; R235-E245 IonicContact NE-OE1 3.65Å; R235-E245 PolarHBondContact NE-OE1 3.49Å; R235-E245 IonicContact NE-OE2 2.96Å; R235-E245 PolarHBondContact NE-OE2 3.08Å; R235-E245 IonicContact NH2-OE1 3.67Å; R235-E245 PolarHBondContact NH2-OE1 2.85Å; R239-E245 IonicContact CZ-OE2 3.26Å; R239-E245 IonicContact NE-OE2 2.74Å; R239-E245 PolarHBondContact NE-OE2 3.38Å; R239-E245 IonicContact NH2-OE2 3.2Å; R239-E245 PolarHBondContact NH2-OE2 2.7Å; E245-F247 HydrophobicContact CB-CE1 4.3Å; E245-F247 HydrophobicContact CB-CZ 4.21Å; E245-F247 HydrophobicContact CG-CD1 4.03Å; E245-F247 HydrophobicContact CG-CE1 3.66Å; E245-F247 HydrophobicContact CG-CZ 4.09Å; E245-F247 VanDerWaalsContact OE2-CE1 3.31Å; E245-F247 WeakPolarHBondContact OE2-CE1 3.25Å; E245-S322 WeakPolarHBondContact O-CA 3.43Å; E245-S322 VanDerWaalsContact O-CB 3.25Å; E245-S322 WeakPolarHBondContact O-CB 3.36Å
246	K	94.6	Very high	72.7	Confident	24 Å²	24	56.3 Å²	56.3	10%	0.104	33%	0.331	C	S	.	.			trans	-111.9	110.7	168.4	179.6	171	170.5	170.1	0	109.9	I224 F225 S226 D248 V325 R326 E328	I224-K246 HydrophobicContact CG2-CB 4.45Å; F225-K246 PolarHBondContact O-N 3.43Å; S226-K246 WeakPolarHBondContact CB-O 3.44Å; S226-K246 PolarHBondContact OG-O 2.97Å; K246-D248 VanDerWaalsContact CE-O 3.28Å; K246-D248 WeakPolarHBondContact CE-O 3.41Å; K246-V325 HydrophobicContact CB-CG2 4.23Å; K246-R326 WeakPolarHBondContact CE-O 3.49Å; K246-R326 PolarHBondContact NZ-O 2.77Å; K246-E328 WeakPolarHBondContact CD-O 3.33Å; K246-E328 PolarHBondContact NZ-O 3.38Å
247	F	88.4	Confident	69.6	Low	47 Å²	47	52.7 Å²	52.7	21%	0.206	32%	0.321	C	S	.	.			trans	-80.2	-18.1	179.5	-56.3	-63.9	0	0	0	114.1	E245 V249 P310 W311 S322	E245-F247 HydrophobicContact CB-CE1 4.3Å; E245-F247 HydrophobicContact CB-CZ 4.21Å; E245-F247 HydrophobicContact CG-CD1 4.03Å; E245-F247 HydrophobicContact CG-CE1 3.66Å; E245-F247 HydrophobicContact CG-CZ 4.09Å; E245-F247 VanDerWaalsContact OE2-CE1 3.31Å; E245-F247 WeakPolarHBondContact OE2-CE1 3.25Å; F247-V249 VanDerWaalsContact O-CG2 3.25Å; F247-V249 WeakPolarHBondContact O-CG2 3.4Å; F247-V249 PolarHBondContact O-N 3.3Å; F247-P310 HydrophobicContact CE1-CB 3.63Å; F247-P310 HydrophobicContact CZ-CB 4.09Å; F247-P310 VanDerWaalsContact CZ-O 3.22Å; F247-P310 WeakPolarHBondContact CZ-O 3.49Å; F247-W311 HydrophobicContact CD1-CE3 4.49Å; F247-W311 HydrophobicContact CD2-CB 3.72Å; F247-W311 HydrophobicContact CE2-CB 3.55Å; F247-W311 HydrophobicContact CG-CB 4.4Å; F247-W311 HydrophobicContact CZ-CB 4.09Å; F247-S322 VanDerWaalsContact CD2-OG 3.32Å; F247-S322 WeakPolarHBondContact CD2-OG 2.7Å; F247-S322 PolarHBondContact N-OG 3.47Å
248	D	69.8	Low	66.7	Low	68 Å²	68	56.8 Å²	56.8	36%	0.364	35%	0.345	S	S	.	.			trans	-83.2	95.3	176	-76.4	-51.2	0	0	0	110.8	K246 R326	K246-D248 VanDerWaalsContact CE-O 3.28Å; K246-D248 WeakPolarHBondContact CE-O 3.41Å; D248-R326 IonicContact OD1-NH2 3.18Å; D248-R326 PolarHBondContact OD1-NH2 3.02Å; D248-R326 IonicContact OD2-CZ 2.64Å; D248-R326 IonicContact OD2-NE 2.72Å; D248-R326 PolarHBondContact OD2-NE 2.92Å; D248-R326 IonicContact OD2-NH2 2.71Å; D248-R326 PolarHBondContact OD2-NH2 3.2Å
249	V	58.7	Low	63.7	Low	32 Å²	32	64 Å²	64	19%	0.194	38%	0.379	C	S	.	.			trans	-107.9	46	-167.6	-149.3	0	0	0	0	114.7	S226 L228 F247 I251	S226-V249 WeakPolarHBondContact OG-CG1 3.39Å; S226-V249 WeakPolarHBondContact OG-CG2 3.49Å; L228-V249 HydrophobicContact CD1-CG1 3.75Å; L228-V249 HydrophobicContact CD2-CB 3.79Å; L228-V249 HydrophobicContact CD2-CG1 3.7Å; L228-V249 HydrophobicContact CD2-CG2 4.15Å; L228-V249 HydrophobicContact CG-CB 4.33Å; L228-V249 HydrophobicContact CG-CG1 3.73Å; F247-V249 VanDerWaalsContact O-CG2 3.25Å; F247-V249 WeakPolarHBondContact O-CG2 3.4Å; F247-V249 PolarHBondContact O-N 3.3Å; V249-I251 VanDerWaalsContact C-N 3.27Å; V249-I251 HydrophobicContact CG1-CD1 3.39Å; V249-I251 HydrophobicContact CG1-CG1 3.69Å; V249-I251 PolarHBondContact O-N 3.3Å
250	N	49.2	Very low	60.8	Low	122 Å²	122	69.2 Å²	69.2	65%	0.652	41%	0.405	S	S	*	.			trans	-72.5	84.3	161.2	-74.8	-34.4	0	0	0	109.2
251	I	52.1	Low	57.9	Low	35 Å²	35	65.6 Å²	65.6	18%	0.179	39%	0.385	C	S	.	.			trans	-84.9	-11.6	176.1	-73.5	175.6	0	0	0	112.2	L228 V249 I333 V341	L228-I251 HydrophobicContact CD1-CD1 4.16Å; V249-I251 VanDerWaalsContact C-N 3.27Å; V249-I251 HydrophobicContact CG1-CD1 3.39Å; V249-I251 HydrophobicContact CG1-CG1 3.69Å; V249-I251 PolarHBondContact O-N 3.3Å; I251-I333 HydrophobicContact CD1-CD1 3.9Å; I251-I333 HydrophobicContact CD1-CG1 4.02Å; I251-I333 HydrophobicContact CD1-CG2 3.86Å; I251-V341 HydrophobicContact CD1-CG2 4.42Å; I251-V341 HydrophobicContact CG2-CB 4.41Å; I251-V341 HydrophobicContact CG2-CG1 3.81Å
252	G	34	Very low	55	Low	36 Å²	36	68.3 Å²	68.3	37%	0.371	40%	0.398	S	S	.	.	S	Bend	trans	-78.2	168.8	164.6	0	0	0	0	0	113.2
253	P	27	Very low	52.1	Low	48 Å²	48	72.5 Å²	72.5	31%	0.312	40%	0.404	S	S	.	.			trans	-66	145.7	-178.3	27.4	-34.3	0	0	0	112.5	G255 Q256	P253-G255 PolarHBondContact O-N 3.11Å; P253-Q256 HydrophobicContact CG-CB 4.3Å; P253-Q256 PolarHBondContact O-N 3.17Å
254	P	29.3	Very low	49	Very low	143 Å²	143	75.5 Å²	75.5	93%	0.929	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	109.3	-179.3	26.4	-34.2	0	0	0	110.8
255	G	32.7	Very low	46.1	Very low	73 Å²	73	79.4 Å²	79.4	75%	0.753	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	133.5	-38.8	-179.2	0	0	0	0	0	113.1	P253 T257	P253-G255 PolarHBondContact O-N 3.11Å; G255-T257 PolarHBondContact O-N 3.09Å
256	Q	33.9	Very low	42.8	Very low	157 Å²	157	87 Å²	87	73%	0.734	47%	0.472	S	S	*	.			trans	-93.2	83.9	-175.1	-68.7	-176.3	-23.5	0	0	111.9	P253	P253-Q256 HydrophobicContact CG-CB 4.3Å; P253-Q256 PolarHBondContact O-N 3.17Å
257	T	28.7	Very low	39.8	Very low	58 Å²	58	89.5 Å²	89.5	36%	0.356	49%	0.492	S	S	.	.			trans	-99.7	104.8	168.7	31.3	0	0	0	0	110.7	G255 K262	G255-T257 PolarHBondContact O-N 3.09Å; T257-K262 HydrophobicContact CG2-CG 4.45Å; T257-K262 WeakPolarHBondContact OG1-CE 3.39Å; T257-K262 PolarHBondContact OG1-NZ 2.7Å
258	T	36	Very low	37.4	Very low	89 Å²	89	91.9 Å²	91.9	55%	0.546	51%	0.506	S	S	.	.			trans	-54.5	149	164.7	56.4	0	0	0	0	110.3	E260 S261 K262	T258-E260 PolarHBondContact O-N 2.79Å; T258-E260 VanDerWaalsContact O-N 3.17Å; T258-S261 PolarHBondContact O-N 3.09Å; T258-S261 PolarHBondContact O-OG 2.86Å; T258-S261 PolarHBondContact OG1-N 3.48Å; T258-S261 PolarHBondContact OG1-OG 3.49Å; T258-K262 PolarHBondContact O-N 2.94Å
259	Q	33.3	Very low	35.6	Very low	150 Å²	150	91.8 Å²	91.8	70%	0.701	51%	0.508	S	S	*	.	H	α-helix	trans	-62.9	-23.7	177.5	-67.6	-165.8	7.8	0	0	112.4	K263	Q259-K263 WeakPolarHBondContact O-CG 3.49Å; Q259-K263 PolarHBondContact O-N 3.31Å
260	E	34.2	Very low	34.1	Very low	143 Å²	143	95.7 Å²	95.7	67%	0.668	53%	0.528	S	S	*	.	H	α-helix	trans	-75.7	-43.4	-178.7	-59.1	-171.3	131.6	0	0	113.1	T258 K262 K263 T264	T258-E260 PolarHBondContact O-N 2.79Å; T258-E260 VanDerWaalsContact O-N 3.17Å; E260-K262 PolarHBondContact O-N 2.91Å; E260-K263 WeakPolarHBondContact O-CA 3.11Å; E260-K263 WeakPolarHBondContact O-CB 3.32Å; E260-K263 PolarHBondContact O-N 3.26Å; E260-T264 PolarHBondContact O-N 3.12Å; E260-T264 PolarHBondContact O-OG1 2.93Å
261	S	34.9	Very low	33.1	Very low	42 Å²	42	94.9 Å²	94.9	29%	0.294	53%	0.527	S	S	.	.	H	α-helix	trans	-58.5	-39.3	172.6	52.9	0	0	0	0	111.5	T258 K263 I265	T258-S261 PolarHBondContact O-N 3.09Å; T258-S261 PolarHBondContact O-OG 2.86Å; T258-S261 PolarHBondContact OG1-N 3.48Å; T258-S261 PolarHBondContact OG1-OG 3.49Å; S261-K263 VanDerWaalsContact C-N 3.35Å; S261-K263 PolarHBondContact O-N 2.95Å; S261-I265 WeakPolarHBondContact O-CG1 3.5Å; S261-I265 PolarHBondContact O-N 3.46Å
262	K	32.5	Very low	32	Very low	101 Å²	101	101.9 Å²	101.9	44%	0.439	56%	0.556	S	S	.	*	H	α-helix	trans	-66	-28.1	170.4	-80.2	169	166.8	159.3	0	114	T257 T258 E260 R266	T257-K262 HydrophobicContact CG2-CG 4.45Å; T257-K262 WeakPolarHBondContact OG1-CE 3.39Å; T257-K262 PolarHBondContact OG1-NZ 2.7Å; T258-K262 PolarHBondContact O-N 2.94Å; E260-K262 PolarHBondContact O-N 2.91Å; K262-R266 WeakPolarHBondContact O-CB 3.35Å; K262-R266 WeakPolarHBondContact O-CD 3.36Å; K262-R266 WeakPolarHBondContact O-CG 3.5Å; K262-R266 PolarHBondContact O-N 2.78Å
263	K	33.3	Very low	31.5	Very low	129 Å²	129	107 Å²	107	56%	0.561	58%	0.581	S	S	*	*	H	α-helix	trans	-73.6	-47.4	173.9	-78.4	169.8	-178.7	174.7	0	111.3	Q259 E260 S261 I265 R266 S267	Q259-K263 WeakPolarHBondContact O-CG 3.49Å; Q259-K263 PolarHBondContact O-N 3.31Å; E260-K263 WeakPolarHBondContact O-CA 3.11Å; E260-K263 WeakPolarHBondContact O-CB 3.32Å; E260-K263 PolarHBondContact O-N 3.26Å; S261-K263 VanDerWaalsContact C-N 3.35Å; S261-K263 PolarHBondContact O-N 2.95Å; K263-I265 VanDerWaalsContact C-N 3.33Å; K263-I265 PolarHBondContact O-N 3.34Å; K263-R266 CarbonylContact O-C 3.54Å; K263-R266 WeakPolarHBondContact O-CA 3.21Å; K263-R266 WeakPolarHBondContact O-CB 3.32Å; K263-R266 PolarHBondContact O-N 2.95Å; K263-S267 PolarHBondContact O-N 3.13Å; K263-S267 PolarHBondContact O-OG 3.41Å
264	T	33.5	Very low	31.7	Very low	72 Å²	72	111.7 Å²	111.7	44%	0.442	61%	0.608	S	S	.	*	H	α-helix	trans	-61.5	-40	-179.4	-48.9	0	0	0	0	112.3	E260 R266 S267 I268	E260-T264 PolarHBondContact O-N 3.12Å; E260-T264 PolarHBondContact O-OG1 2.93Å; T264-R266 VanDerWaalsContact C-N 3.33Å; T264-S267 WeakPolarHBondContact CA-OG 3.32Å; T264-S267 PolarHBondContact O-N 3.31Å; T264-S267 PolarHBondContact O-OG 3.48Å; T264-I268 WeakPolarHBondContact O-CG1 3.5Å; T264-I268 PolarHBondContact O-N 3.39Å
265	I	34.6	Very low	31.6	Very low	93 Å²	93	115.7 Å²	115.7	48%	0.477	60%	0.604	S	S	.	*	H	α-helix	trans	-68.2	-33.4	174.9	-65	168.4	0	0	0	111.3	S261 K263 T269	S261-I265 WeakPolarHBondContact O-CG1 3.5Å; S261-I265 PolarHBondContact O-N 3.46Å; K263-I265 VanDerWaalsContact C-N 3.33Å; K263-I265 PolarHBondContact O-N 3.34Å; I265-T269 PolarHBondContact O-N 2.98Å; I265-T269 PolarHBondContact O-OG1 3.28Å
266	R	28	Very low	31.3	Very low	166 Å²	166	120 Å²	120	63%	0.626	61%	0.61	S	S	*	*	H	α-helix	trans	-73.4	-34.2	175.7	-78.5	173.3	175.5	-179	-3.6	113.5	K262 K263 T264 I268 T269 N270	K262-R266 WeakPolarHBondContact O-CB 3.35Å; K262-R266 WeakPolarHBondContact O-CD 3.36Å; K262-R266 WeakPolarHBondContact O-CG 3.5Å; K262-R266 PolarHBondContact O-N 2.78Å; K263-R266 CarbonylContact O-C 3.54Å; K263-R266 WeakPolarHBondContact O-CA 3.21Å; K263-R266 WeakPolarHBondContact O-CB 3.32Å; K263-R266 PolarHBondContact O-N 2.95Å; T264-R266 VanDerWaalsContact C-N 3.33Å; R266-I268 VanDerWaalsContact C-N 3.29Å; R266-I268 PolarHBondContact O-N 2.81Å; R266-T269 WeakPolarHBondContact CA-OG1 3.28Å; R266-T269 PolarHBondContact O-N 3.21Å; R266-T269 PolarHBondContact O-OG1 3.45Å; R266-N270 PolarHBondContact O-N 2.87Å
267	S	32.2	Very low	31.3	Very low	76 Å²	76	118.4 Å²	118.4	53%	0.531	62%	0.616	S	S	.	*	H	α-helix	trans	-67	-30.5	174.6	44.2	0	0	0	0	112.8	K263 T264 T269	K263-S267 PolarHBondContact O-N 3.13Å; K263-S267 PolarHBondContact O-OG 3.41Å; T264-S267 WeakPolarHBondContact CA-OG 3.32Å; T264-S267 PolarHBondContact O-N 3.31Å; T264-S267 PolarHBondContact O-OG 3.48Å; S267-T269 VanDerWaalsContact C-N 3.32Å
268	I	37.2	Very low	31.4	Very low	96 Å²	96	121 Å²	121	49%	0.492	63%	0.628	S	S	.	*	H	α-helix	trans	-74.4	-22	175.1	-66.4	165.9	0	0	0	111.8	T264 R266 W311	T264-I268 WeakPolarHBondContact O-CG1 3.5Å; T264-I268 PolarHBondContact O-N 3.39Å; R266-I268 VanDerWaalsContact C-N 3.29Å; R266-I268 PolarHBondContact O-N 2.81Å; I268-W311 HydrophobicContact CG2-CH2 4.32Å
269	T	32.8	Very low	31.3	Very low	66 Å²	66	121.1 Å²	121.1	41%	0.405	63%	0.633	S	S	.	*	H	α-helix	trans	-109.5	-18.2	-171.7	45.1	0	0	0	0	115.8	I265 R266 S267	I265-T269 PolarHBondContact O-N 2.98Å; I265-T269 PolarHBondContact O-OG1 3.28Å; R266-T269 WeakPolarHBondContact CA-OG1 3.28Å; R266-T269 PolarHBondContact O-N 3.21Å; R266-T269 PolarHBondContact O-OG1 3.45Å; S267-T269 VanDerWaalsContact C-N 3.32Å
270	N	26.1	Very low	31.3	Very low	115 Å²	115	116.4 Å²	116.4	62%	0.615	62%	0.616	S	S	*	*			trans	-121.3	49.2	-172.4	-78.7	-17.9	0	0	0	114.9	R266 K272	R266-N270 PolarHBondContact O-N 2.87Å; N270-K272 PolarHBondContact O-N 3.25Å
271	V	29	Very low	31.3	Very low	105 Å²	105	114.6 Å²	114.6	64%	0.636	62%	0.619	S	S	*	*			trans	-79.9	57	171.9	-166.3	0	0	0	0	111.4
272	K	27.8	Very low	31.2	Very low	182 Å²	182	117.9 Å²	117.9	79%	0.791	63%	0.634	S	S	*	*	S	Bend	trans	-138.9	100	165.7	-77.1	-167.2	176.3	-177	0	110.8	N270	N270-K272 PolarHBondContact O-N 3.25Å
273	T	24.7	Very low	31.1	Very low	144 Å²	144	120.3 Å²	120.3	88%	0.883	65%	0.651	S	S	*	*			trans	41.4	80.4	150.3	55.9	0	0	0	0	118.5
274	V	30.3	Very low	30.8	Very low	145 Å²	145	119.9 Å²	119.9	88%	0.879	66%	0.659	S	S	*	*			trans	-136.4	139.8	156.4	-175.4	0	0	0	0	110.3
275	R	27.7	Very low	30.5	Very low	228 Å²	228	122.6 Å²	122.6	86%	0.86	68%	0.676	S	S	*	*			trans	-94.1	152.6	-179.8	-64.1	168.5	172.3	152.9	-5.6	111.4
276	N	26.7	Very low	30.1	Very low	162 Å²	162	127 Å²	127	87%	0.866	70%	0.7	S	S	*	*			trans	37.2	110.4	156	-65.9	-10.7	0	0	0	120.3
277	S	33.8	Very low	30.2	Very low	124 Å²	124	125.1 Å²	125.1	87%	0.867	70%	0.698	S	S	*	*			trans	-157.7	147.4	143.1	42	0	0	0	0	111.5
278	N	30.7	Very low	30.1	Very low	113 Å²	113	127.8 Å²	127.8	60%	0.604	71%	0.707	S	S	*	*			trans	-144.8	123	-170.8	-105.1	-33.1	0	0	0	111.1	R6	R6-N278 PolarHBondContact NH1-OD1 3.35Å
279	S	34.2	Very low	29.9	Very low	92 Å²	92	128.8 Å²	128.8	64%	0.643	72%	0.722	S	S	*	*			trans	-156.3	158.7	167.7	60	0	0	0	0	110.6
280	S	33.4	Very low	30.3	Very low	51 Å²	51	127.5 Å²	127.5	36%	0.357	71%	0.711	S	S	.	*			trans	-155.1	147.2	-170.3	59.2	0	0	0	0	115.8	R2	R2-S280 WeakPolarHBondContact CB-O 2.96Å; R2-S280 VanDerWaalsContact CD-O 3.31Å; R2-S280 WeakPolarHBondContact CD-O 3.26Å; R2-S280 WeakPolarHBondContact CD-OG 3.3Å
281	S	34.4	Very low	31	Very low	105 Å²	105	123.8 Å²	123.8	73%	0.734	69%	0.691	S	S	*	*			trans	-154	126.5	171.7	48.4	0	0	0	0	104.5
282	N	31.7	Very low	31.3	Very low	111 Å²	111	120.2 Å²	120.2	59%	0.594	68%	0.676	S	S	*	*			cis	60.3	87.7	42.7	-102.4	40.6	0	0	0	114.4	R2	R2-N282 VanDerWaalsContact NH1-CB 3.33Å; R2-N282 VanDerWaalsContact NH1-CG 3.34Å; R2-N282 PolarHBondContact NH1-OD1 3.14Å; R2-N282 VanDerWaalsContact NH2-CG 3.32Å; R2-N282 PolarHBondContact NH2-OD1 3.36Å
283	D	30.5	Very low	32	Very low	151 Å²	151	112.8 Å²	112.8	81%	0.807	65%	0.645	S	S	*	*			trans	-135.5	155.5	144.3	-159.4	-14.8	0	0	0	106.6
284	T	27.4	Very low	32.7	Very low	120 Å²	120	106.2 Å²	106.2	74%	0.736	61%	0.605	S	S	*	*			trans	-124.4	99.6	-164.3	47.3	0	0	0	0	113.4
285	T	28.3	Very low	32.9	Very low	130 Å²	130	101.9 Å²	101.9	80%	0.798	58%	0.577	S	S	*	*			trans	-137	121	167.7	53.8	0	0	0	0	110.9	E287	T285-E287 PolarHBondContact O-N 3.21Å
286	L	26.2	Very low	33.3	Very low	185 Å²	185	92.3 Å²	92.3	97%	0.969	54%	0.543	S	S	*	.			trans	-82.7	102.9	177.9	-69	166.4	0	0	0	110.9
287	E	28.5	Very low	34	Very low	126 Å²	126	85.3 Å²	85.3	59%	0.589	51%	0.505	S	S	*	.			trans	-132.9	148	161.4	-66.5	-151	116	0	0	110.5	T285 S289 R1327	T285-E287 PolarHBondContact O-N 3.21Å; E287-S289 PolarHBondContact O-N 2.74Å; E287-S289 VanDerWaalsContact O-N 3.14Å; E287-R1327 IonicContact OE1-CZ 2.7Å; E287-R1327 IonicContact OE1-NH1 3.57Å; E287-R1327 PolarHBondContact OE1-NH1 2.91Å; E287-R1327 IonicContact OE1-NH2 2.95Å; E287-R1327 PolarHBondContact OE1-NH2 3.42Å
288	D	30.1	Very low	34.1	Very low	133 Å²	133	83.2 Å²	83.2	71%	0.711	49%	0.487	S	S	*	.			trans	-75.3	100	-162.1	-52.6	-91.5	0	0	0	114.1	E290	D288-E290 PolarHBondContact O-N 3.14Å
289	S	33.6	Very low	34.3	Very low	117 Å²	117	82.9 Å²	82.9	82%	0.818	49%	0.485	S	S	*	.			trans	-85.2	92.8	173.5	63.4	0	0	0	0	111.9	E287 D291	E287-S289 PolarHBondContact O-N 2.74Å; E287-S289 VanDerWaalsContact O-N 3.14Å; S289-D291 PolarHBondContact O-N 3.27Å
290	E	40.9	Very low	34.4	Very low	39 Å²	39	79.4 Å²	79.4	18%	0.182	46%	0.462	C	S	.	.			trans	-76.5	-12.8	-171.5	-65	178.8	126.2	0	0	116.1	D288 G292 K338 G357 A358 P359	D288-E290 PolarHBondContact O-N 3.14Å; E290-G292 PolarHBondContact O-N 3Å; E290-K338 IonicContact OE2-NZ 3.87Å; E290-K338 PolarHBondContact OE2-NZ 2.92Å; E290-G357 WeakPolarHBondContact OE2-CA 3.41Å; E290-A358 PolarHBondContact OE1-N 3.31Å; E290-A358 PolarHBondContact OE2-N 3.3Å; E290-P359 WeakPolarHBondContact OE1-CA 3.08Å; E290-P359 WeakPolarHBondContact OE1-CD 3.46Å
291	D	41.4	Very low	34.6	Very low	36 Å²	36	80.2 Å²	80.2	19%	0.193	47%	0.465	C	S	.	.			trans	-103.9	78.6	-163.1	-52.7	-100.4	0	0	0	114.2	S289 K338	S289-D291 PolarHBondContact O-N 3.27Å; D291-K338 WeakPolarHBondContact OD1-CB 3.19Å; D291-K338 WeakPolarHBondContact OD2-CB 3.48Å; D291-K338 WeakPolarHBondContact OD2-CD 3.36Å
292	G	34.4	Very low	34.5	Very low	30 Å²	30	79.8 Å²	79.8	31%	0.309	45%	0.454	S	S	.	.			trans	-87	-2.4	-179.9	0	0	0	0	0	116.4	E290 S600	E290-G292 PolarHBondContact O-N 3Å; G292-S600 WeakPolarHBondContact O-CB 3.22Å; G292-S600 PolarHBondContact O-OG 3.02Å
293	D	43.4	Very low	35	Very low	26 Å²	26	80.4 Å²	80.4	14%	0.139	45%	0.454	C	S	.	.	S	Bend	trans	-94	-14.5	-157.4	-69.6	-36.7	0	0	0	116.7	S600 R601 S783	D293-S600 WeakPolarHBondContact OD1-CB 3.37Å; D293-R601 PolarHBondContact O-NH2 3.14Å; D293-S783 VanDerWaalsContact CB-O 3.32Å; D293-S783 WeakPolarHBondContact CB-O 3.29Å; D293-S783 PolarHBondContact OD2-N 2.77Å; D293-S783 PolarHBondContact OD2-OG 3.44Å
294	S	39.1	Very low	35.7	Very low	6 Å²	6	76 Å²	76	4%	0.042	43%	0.428	C	S	.	.			trans	-113.1	13.5	-158	69.1	0	0	0	0	119	D296 L336 R337 R601	S294-D296 PolarHBondContact O-N 3.17Å; S294-L336 WeakPolarHBondContact CB-O 3.48Å; S294-L336 PolarHBondContact OG-O 2.99Å; S294-R337 PolarHBondContact O-NH2 2.86Å; S294-R337 WeakPolarHBondContact OG-CG 3.5Å; S294-R337 PolarHBondContact OG-NE 3.21Å; S294-R601 VanDerWaalsContact C-NH2 3.33Å
295	D	35.3	Very low	36.4	Very low	55 Å²	55	77.3 Å²	77.3	29%	0.294	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	16	163.7	-49.6	-47.3	0	0	0	116.1	R337 R601 R603	D295-R337 IonicContact OD1-CZ 3.19Å; D295-R337 IonicContact OD1-NH1 2.73Å; D295-R337 PolarHBondContact OD1-NH1 2.79Å; D295-R337 IonicContact OD1-NH2 2.63Å; D295-R337 PolarHBondContact OD1-NH2 2.81Å; D295-R601 PolarHBondContact O-NH1 3.17Å; D295-R603 IonicContact OD2-NH1 3.41Å; D295-R603 IonicContact OD2-NH2 2.81Å
296	D	34.7	Very low	37.3	Very low	27 Å²	27	79.1 Å²	79.1	14%	0.144	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-34	-170.8	-98.3	-22.3	0	0	0	111.1	S294 V298 N299 R601	S294-D296 PolarHBondContact O-N 3.17Å; D296-V298 PolarHBondContact O-N 3.4Å; D296-N299 PolarHBondContact O-N 3.17Å; D296-R601 IonicContact OD1-CZ 3.66Å; D296-R601 IonicContact OD1-NE 3.23Å; D296-R601 IonicContact OD1-NH1 2.88Å; D296-R601 PolarHBondContact OD1-NH1 2.86Å; D296-R601 IonicContact OD1-NH2 2.84Å; D296-R601 WeakPolarHBondContact OD2-CD 3.37Å; D296-R601 IonicContact OD2-CZ 3.33Å; D296-R601 IonicContact OD2-NE 2.94Å; D296-R601 PolarHBondContact OD2-NE 2.68Å; D296-R601 VanDerWaalsContact OD2-NE 3.08Å; D296-R601 IonicContact OD2-NH1 3.45Å; D296-R601 IonicContact OD2-NH2 2.75Å
297	D	42.1	Very low	39.1	Very low	14 Å²	14	75.6 Å²	75.6	8%	0.075	40%	0.397	C	S	.	.	H	α-helix	trans	-52.6	-22.1	166.2	-76.8	25.7	0	0	0	112.6	P230 N299 A300 V301 L336	P230-D297 VanDerWaalsContact CD-OD2 3.28Å; P230-D297 WeakPolarHBondContact CD-OD2 3.43Å; P230-D297 HydrophobicContact CG-CB 3.87Å; P230-D297 WeakPolarHBondContact CG-OD2 3.42Å; D297-N299 PolarHBondContact O-N 3.14Å; D297-A300 WeakPolarHBondContact O-CB 3.23Å; D297-A300 PolarHBondContact O-N 2.96Å; D297-V301 PolarHBondContact O-N 3.3Å; D297-L336 HydrophobicContact CB-CD1 4.28Å; D297-L336 HydrophobicContact CB-CD2 3.97Å; D297-L336 VanDerWaalsContact OD2-CD1 3.29Å; D297-L336 WeakPolarHBondContact OD2-CD1 3.27Å
298	V	35.6	Very low	41.3	Very low	80 Å²	80	74 Å²	74	49%	0.485	40%	0.396	S	S	.	.	H	α-helix	trans	-62.2	-24.7	174.7	-171	0	0	0	0	112.2	D296 V301	D296-V298 PolarHBondContact O-N 3.4Å; V298-V301 WeakPolarHBondContact O-CB 3.48Å
299	N	34.4	Very low	43.8	Very low	106 Å²	106	70.1 Å²	70.1	57%	0.567	37%	0.373	S	S	*	.	H	α-helix	trans	-78.1	-27.9	172.4	-75.3	-34.4	0	0	0	112.7	D296 D297 V301 N302	D296-N299 PolarHBondContact O-N 3.17Å; D297-N299 PolarHBondContact O-N 3.14Å; N299-V301 PolarHBondContact O-N 3.47Å; N299-N302 WeakPolarHBondContact O-CB 3.47Å; N299-N302 PolarHBondContact O-N 2.7Å; N299-N302 VanDerWaalsContact O-N 3.15Å
300	A	36.5	Very low	46.3	Very low	20 Å²	20	65.4 Å²	65.4	17%	0.165	34%	0.34	C	S	.	.	H	α-helix	trans	-65.7	-27.7	171.9	0	0	0	0	0	112	D297 N302 E303 E304	D297-A300 WeakPolarHBondContact O-CB 3.23Å; D297-A300 PolarHBondContact O-N 2.96Å; A300-N302 PolarHBondContact O-N 2.93Å; A300-N302 VanDerWaalsContact O-N 3.13Å; A300-E303 PolarHBondContact O-N 2.91Å; A300-E304 PolarHBondContact O-N 3.03Å
301	V	37.5	Very low	48.5	Very low	67 Å²	67	67.2 Å²	67.2	41%	0.406	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.3	173.2	-173.6	0	0	0	0	112.5	D297 V298 N299 E303 E304	D297-V301 PolarHBondContact O-N 3.3Å; V298-V301 WeakPolarHBondContact O-CB 3.48Å; N299-V301 PolarHBondContact O-N 3.47Å; V301-E303 VanDerWaalsContact C-N 3.34Å; V301-E304 PolarHBondContact O-N 3.01Å
302	N	33.1	Very low	50.6	Low	97 Å²	97	69.3 Å²	69.3	52%	0.519	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-25.8	173.7	-74.3	-54.3	0	0	0	113.4	N299 A300	N299-N302 WeakPolarHBondContact O-CB 3.47Å; N299-N302 PolarHBondContact O-N 2.7Å; N299-N302 VanDerWaalsContact O-N 3.15Å; A300-N302 PolarHBondContact O-N 2.93Å; A300-N302 VanDerWaalsContact O-N 3.13Å
303	E	41.2	Very low	53.1	Low	124 Å²	124	70.1 Å²	70.1	58%	0.579	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-22.1	171.2	-65.6	-174.9	174.4	0	0	113	A300 V301 K305 Q306 R307	A300-E303 PolarHBondContact O-N 2.91Å; V301-E303 VanDerWaalsContact C-N 3.34Å; E303-K305 PolarHBondContact O-N 3.21Å; E303-Q306 PolarHBondContact O-N 3.29Å; E303-R307 IonicContact OE2-CZ 3.14Å; E303-R307 IonicContact OE2-NH1 3.57Å; E303-R307 IonicContact OE2-NH2 2.72Å; E303-R307 PolarHBondContact OE2-NH2 3.5Å
304	E	46.1	Very low	55.2	Low	59 Å²	59	72.1 Å²	72.1	28%	0.276	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-61.2	-11.9	-179.8	-72.4	-173.2	142.1	0	0	113.9	A300 V301 Q306 R307	A300-E304 PolarHBondContact O-N 3.03Å; V301-E304 PolarHBondContact O-N 3.01Å; E304-Q306 PolarHBondContact O-N 3.1Å; E304-R307 PolarHBondContact O-N 3.39Å; E304-R307 VanDerWaalsContact O-N 3.07Å
305	K	42.5	Very low	57.4	Low	146 Å²	146	78.3 Å²	78.3	64%	0.635	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-58.8	-14.5	177.6	-67.5	175	-175	160.3	0	115.2	E303	E303-K305 PolarHBondContact O-N 3.21Å
306	Q	46.5	Very low	59.8	Low	169 Å²	169	76.7 Å²	76.7	79%	0.79	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-117	-2.9	175.4	-71.6	-178.1	-23.1	0	0	114.1	E303 E304	E303-Q306 PolarHBondContact O-N 3.29Å; E304-Q306 PolarHBondContact O-N 3.1Å
307	R	63.6	Low	62.6	Low	111 Å²	111	76.4 Å²	76.4	42%	0.419	39%	0.386	S	S	.	.	S	Bend	trans	-89.3	130.9	-177.3	-67	-174.4	-178.6	136.7	12.8	111.5	E303 E304	E303-R307 IonicContact OE2-CZ 3.14Å; E303-R307 IonicContact OE2-NH1 3.57Å; E303-R307 IonicContact OE2-NH2 2.72Å; E303-R307 PolarHBondContact OE2-NH2 3.5Å; E304-R307 PolarHBondContact O-N 3.39Å; E304-R307 VanDerWaalsContact O-N 3.07Å
308	V	75.2	Confident	65	Low	93 Å²	93	78.9 Å²	78.9	56%	0.564	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-57.4	137.3	170	179.1	0	0	0	0	109.2	E312 E313	V308-E312 HydrophobicContact CG1-CB 3.59Å; V308-E313 HydrophobicContact CG1-CG 4.46Å
309	Q	83.7	Confident	67.6	Low	51 Å²	51	75.2 Å²	75.2	24%	0.238	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-70.4	147.9	-177.2	-65.6	-65.5	-45.9	0	0	111.4	W311 E312 E313	Q309-W311 HydrophobicContact CB-CD2 3.86Å; Q309-W311 VanDerWaalsContact CB-CE2 3.42Å; Q309-W311 HydrophobicContact CB-CE3 4.24Å; Q309-W311 HydrophobicContact CB-CG 4.45Å; Q309-W311 HydrophobicContact CB-CH2 3.88Å; Q309-W311 HydrophobicContact CB-CZ2 3.46Å; Q309-W311 VanDerWaalsContact CB-CZ2 3.46Å; Q309-W311 HydrophobicContact CB-CZ3 4.25Å; Q309-W311 HydrophobicContact CG-CH2 3.91Å; Q309-W311 HydrophobicContact CG-CZ2 3.52Å; Q309-W311 PolarHBondContact O-N 3.35Å; Q309-E312 HydrophobicContact CB-CB 4.47Å; Q309-E312 WeakPolarHBondContact CB-OE2 3.42Å; Q309-E312 WeakPolarHBondContact O-CA 3.31Å; Q309-E312 WeakPolarHBondContact O-CB 3.26Å; Q309-E312 PolarHBondContact O-N 3.16Å; Q309-E313 PolarHBondContact O-N 2.77Å
310	P	85.2	Confident	70.3	Confident	18 Å²	18	71.3 Å²	71.3	12%	0.117	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-17.7	-175.5	-31.5	38.4	0	0	0	116.9	R239 F247	R239-P310 PolarHBondContact NH2-O 3.32Å; R239-P310 VanDerWaalsContact NH2-O 3.14Å; F247-P310 HydrophobicContact CE1-CB 3.63Å; F247-P310 HydrophobicContact CZ-CB 4.09Å; F247-P310 VanDerWaalsContact CZ-O 3.22Å; F247-P310 WeakPolarHBondContact CZ-O 3.49Å
311	W	86.7	Confident	73.1	Confident	76 Å²	76	70.7 Å²	70.7	29%	0.288	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-13.3	175.3	60	74.8	0	0	0	114.2	F247 I268 Q309 G316 G319	F247-W311 HydrophobicContact CD1-CE3 4.49Å; F247-W311 HydrophobicContact CD2-CB 3.72Å; F247-W311 HydrophobicContact CE2-CB 3.55Å; F247-W311 HydrophobicContact CG-CB 4.4Å; F247-W311 HydrophobicContact CZ-CB 4.09Å; I268-W311 HydrophobicContact CG2-CH2 4.32Å; Q309-W311 HydrophobicContact CB-CD2 3.86Å; Q309-W311 VanDerWaalsContact CB-CE2 3.42Å; Q309-W311 HydrophobicContact CB-CE3 4.24Å; Q309-W311 HydrophobicContact CB-CG 4.45Å; Q309-W311 HydrophobicContact CB-CH2 3.88Å; Q309-W311 HydrophobicContact CB-CZ2 3.46Å; Q309-W311 VanDerWaalsContact CB-CZ2 3.46Å; Q309-W311 HydrophobicContact CB-CZ3 4.25Å; Q309-W311 HydrophobicContact CG-CH2 3.91Å; Q309-W311 HydrophobicContact CG-CZ2 3.52Å; Q309-W311 PolarHBondContact O-N 3.35Å; W311-G316 WeakPolarHBondContact O-CA 3.47Å; W311-G319 VanDerWaalsContact O-CA 3.3Å; W311-G319 WeakPolarHBondContact O-CA 3.31Å; W311-G319 PolarHBondContact O-N 3.44Å; W311-G319 VanDerWaalsContact O-N 3.13Å
312	E	86.3	Confident	75.8	Confident	81 Å²	81	67.7 Å²	67.7	38%	0.379	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-20.4	174.7	-81.7	146.6	-151.1	0	0	112.2	V308 Q309 N315 G316	V308-E312 HydrophobicContact CG1-CB 3.59Å; Q309-E312 HydrophobicContact CB-CB 4.47Å; Q309-E312 WeakPolarHBondContact CB-OE2 3.42Å; Q309-E312 WeakPolarHBondContact O-CA 3.31Å; Q309-E312 WeakPolarHBondContact O-CB 3.26Å; Q309-E312 PolarHBondContact O-N 3.16Å; E312-N315 PolarHBondContact O-N 3.27Å; E312-G316 PolarHBondContact O-N 3Å
313	E	86.8	Confident	78.5	Confident	47 Å²	47	68.7 Å²	68.7	22%	0.22	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	141.3	170.8	-70.7	177.5	-175	0	0	112.6	R239 V308 Q309 G316 Y317 Y318	R239-E313 IonicContact CZ-OE2 2.9Å; R239-E313 IonicContact NH1-OE2 3.21Å; R239-E313 PolarHBondContact NH1-OE2 2.97Å; R239-E313 IonicContact NH2-OE2 3.53Å; V308-E313 HydrophobicContact CG1-CG 4.46Å; Q309-E313 PolarHBondContact O-N 2.77Å; E313-G316 PolarHBondContact O-N 3Å; E313-Y317 PolarHBondContact O-N 2.93Å; E313-Y318 HydrophobicContact CB-CD2 3.72Å; E313-Y318 HydrophobicContact CB-CE2 4.12Å; E313-Y318 WeakPolarHBondContact O-CD2 3.4Å
314	D	87.9	Confident	81	Confident	67 Å²	67	65.6 Å²	65.6	36%	0.358	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	56.7	-169.8	-175.7	17.4	0	0	0	113.4	R207 G316 Y317 Y318	R207-D314 IonicContact CZ-OD1 3.97Å; R207-D314 IonicContact CZ-OD2 2.73Å; R207-D314 PolarHBondContact NH1-O 2.98Å; R207-D314 IonicContact NH1-OD1 2.73Å; R207-D314 PolarHBondContact NH1-OD1 3.05Å; R207-D314 IonicContact NH1-OD2 3.95Å; R207-D314 VanDerWaalsContact NH2-CG 3.28Å; R207-D314 IonicContact NH2-OD1 3.96Å; R207-D314 PolarHBondContact NH2-OD1 2.93Å; R207-D314 IonicContact NH2-OD2 2.79Å; R207-D314 PolarHBondContact NH2-OD2 3.21Å; D314-G316 PolarHBondContact O-N 3.38Å; D314-G316 VanDerWaalsContact O-N 3.09Å; D314-Y317 WeakPolarHBondContact O-CB 3.42Å; D314-Y317 PolarHBondContact O-N 3.32Å; D314-Y318 HydrophobicContact CB-CD2 4.44Å; D314-Y318 HydrophobicContact CB-CE2 4.03Å
315	N	85.4	Confident	83.3	Confident	136 Å²	136	62.8 Å²	62.8	73%	0.727	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	35.8	176.9	-59.7	-25.9	0	0	0	113.1	E312	E312-N315 PolarHBondContact O-N 3.27Å
316	G	85.6	Confident	85.6	Confident	21 Å²	21	61.4 Å²	61.4	22%	0.216	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	8.6	-178.5	0	0	0	0	0	116	W311 E312 E313 D314 Y318 G319 L320	W311-G316 WeakPolarHBondContact O-CA 3.47Å; E312-G316 PolarHBondContact O-N 3Å; E313-G316 PolarHBondContact O-N 3Å; D314-G316 PolarHBondContact O-N 3.38Å; D314-G316 VanDerWaalsContact O-N 3.09Å; G316-Y318 PolarHBondContact O-N 3.42Å; G316-G319 CarbonylContact O-C 3.58Å; G316-G319 WeakPolarHBondContact O-CA 3.32Å; G316-G319 PolarHBondContact O-N 3.39Å; G316-G319 VanDerWaalsContact O-N 3.1Å; G316-L320 PolarHBondContact O-N 3.42Å
317	Y	91.8	Very high	87.6	Confident	21 Å²	21	57.8 Å²	57.8	8%	0.082	28%	0.282	C	S	.	.	H	α-helix	trans	-58.2	-46.6	-178.5	-176.5	-106.6	0	0	0	112.4	A211 E214 E313 D314 G319 L320 L321	A211-Y317 HydrophobicContact CB-CE2 3.93Å; E214-Y317 VanDerWaalsContact CD-OH 3.24Å; E214-Y317 PolarHBondContact OE2-OH 3.39Å; E313-Y317 PolarHBondContact O-N 2.93Å; D314-Y317 WeakPolarHBondContact O-CB 3.42Å; D314-Y317 PolarHBondContact O-N 3.32Å; Y317-G319 VanDerWaalsContact C-N 3.29Å; Y317-G319 PolarHBondContact O-N 3Å; Y317-L320 WeakPolarHBondContact O-CA 3.24Å; Y317-L320 WeakPolarHBondContact O-CB 3.47Å; Y317-L320 PolarHBondContact O-N 3.27Å; Y317-L321 HydrophobicContact CD1-CD1 4.01Å; Y317-L321 HydrophobicContact CD1-CG 4.36Å; Y317-L321 HydrophobicContact CE1-CD1 3.57Å; Y317-L321 HydrophobicContact CE1-CD2 4.28Å; Y317-L321 HydrophobicContact CE1-CG 4.03Å; Y317-L321 PolarHBondContact O-N 2.91Å
318	Y	92.9	Very high	88.9	Confident	66 Å²	66	55.5 Å²	55.5	26%	0.259	28%	0.276	S	S	.	.	H	α-helix	trans	-66.4	-32.5	176.1	-60.2	-72.7	0	0	0	112.4	R239 E313 D314 G316 L320 L321 S322	R239-Y318 HydrophobicContact CG-CE1 4.32Å; R239-Y318 VanDerWaalsContact NH1-CE2 3.26Å; R239-Y318 VanDerWaalsContact NH1-CG 3.35Å; E313-Y318 HydrophobicContact CB-CD2 3.72Å; E313-Y318 HydrophobicContact CB-CE2 4.12Å; E313-Y318 WeakPolarHBondContact O-CD2 3.4Å; D314-Y318 HydrophobicContact CB-CD2 4.44Å; D314-Y318 HydrophobicContact CB-CE2 4.03Å; G316-Y318 PolarHBondContact O-N 3.42Å; Y318-L320 VanDerWaalsContact C-N 3.3Å; Y318-L320 PolarHBondContact O-N 3.46Å; Y318-L321 HydrophobicContact CD1-CD1 4.14Å; Y318-L321 PolarHBondContact O-N 3.48Å; Y318-S322 WeakPolarHBondContact O-CB 3.37Å; Y318-S322 PolarHBondContact O-N 2.93Å
319	G	90.8	Very high	89.6	Confident	3 Å²	3	56.5 Å²	56.5	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-30.5	170.9	0	0	0	0	0	113.6	W311 G316 Y317 R323	W311-G319 VanDerWaalsContact O-CA 3.3Å; W311-G319 WeakPolarHBondContact O-CA 3.31Å; W311-G319 PolarHBondContact O-N 3.44Å; W311-G319 VanDerWaalsContact O-N 3.13Å; G316-G319 CarbonylContact O-C 3.58Å; G316-G319 WeakPolarHBondContact O-CA 3.32Å; G316-G319 PolarHBondContact O-N 3.39Å; G316-G319 VanDerWaalsContact O-N 3.1Å; Y317-G319 VanDerWaalsContact C-N 3.29Å; Y317-G319 PolarHBondContact O-N 3Å; G319-R323 VanDerWaalsContact O-CD 3.25Å; G319-R323 WeakPolarHBondContact O-CD 3.48Å; G319-R323 WeakPolarHBondContact O-CG 3.2Å; G319-R323 PolarHBondContact O-N 3.45Å; G319-R323 PolarHBondContact O-NE 3.32Å
320	L	90.9	Very high	90.1	Very high	25 Å²	25	54.4 Å²	54.4	13%	0.131	27%	0.269	C	S	.	.	H	α-helix	trans	-69.7	-53.2	169.5	169.8	66.9	0	0	0	110.9	L203 L208 A211 G316 Y317 Y318 S322 R323 M324	L203-L320 HydrophobicContact CD1-CD2 3.97Å; L203-L320 HydrophobicContact CD2-CD2 3.88Å; L208-L320 HydrophobicContact CD2-CD1 4.4Å; L208-L320 HydrophobicContact CD2-CD2 3.97Å; A211-L320 HydrophobicContact CB-CD2 3.78Å; A211-L320 HydrophobicContact CB-CG 4.42Å; G316-L320 PolarHBondContact O-N 3.42Å; Y317-L320 WeakPolarHBondContact O-CA 3.24Å; Y317-L320 WeakPolarHBondContact O-CB 3.47Å; Y317-L320 PolarHBondContact O-N 3.27Å; Y318-L320 VanDerWaalsContact C-N 3.3Å; Y318-L320 PolarHBondContact O-N 3.46Å; L320-S322 VanDerWaalsContact C-N 3.31Å; L320-S322 PolarHBondContact O-N 2.92Å; L320-R323 WeakPolarHBondContact O-CB 2.94Å; L320-R323 PolarHBondContact O-N 3.03Å; L320-M324 HydrophobicContact CD1-CG 4.35Å; L320-M324 HydrophobicContact CD1-SD 3.84Å; L320-M324 HydrophobicContact CG-SD 3.87Å; L320-M324 WeakPolarHBondContact O-CG 3.35Å; L320-M324 PolarHBondContact O-N 2.68Å; L320-M324 VanDerWaalsContact O-N 3.16Å
321	L	94.8	Very high	90.6	Very high	6 Å²	6	56 Å²	56	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-54.9	-46.1	-179.8	-63.1	178.5	0	0	0	111.8	A211 V215 I244 Y317 Y318 R323 M324 V325	A211-L321 HydrophobicContact CB-CD2 3.78Å; V215-L321 HydrophobicContact CG2-CD2 3.82Å; I244-L321 HydrophobicContact CD1-CB 4.49Å; I244-L321 HydrophobicContact CD1-CD1 4.36Å; I244-L321 HydrophobicContact CD1-CD2 4.23Å; I244-L321 HydrophobicContact CG1-CD1 4.39Å; I244-L321 HydrophobicContact CG2-CB 3.83Å; Y317-L321 HydrophobicContact CD1-CD1 4.01Å; Y317-L321 HydrophobicContact CD1-CG 4.36Å; Y317-L321 HydrophobicContact CE1-CD1 3.57Å; Y317-L321 HydrophobicContact CE1-CD2 4.28Å; Y317-L321 HydrophobicContact CE1-CG 4.03Å; Y317-L321 PolarHBondContact O-N 2.91Å; Y318-L321 HydrophobicContact CD1-CD1 4.14Å; Y318-L321 PolarHBondContact O-N 3.48Å; L321-R323 VanDerWaalsContact C-N 3.27Å; L321-R323 PolarHBondContact O-N 2.85Å; L321-M324 WeakPolarHBondContact O-CB 3.5Å; L321-M324 PolarHBondContact O-N 3.05Å; L321-V325 PolarHBondContact O-N 3.41Å
322	S	94.1	Very high	91	Very high	5 Å²	5	52.3 Å²	52.3	4%	0.035	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-26.6	178	178.7	0	0	0	0	114	E245 F247 Y318 L320 R326	E245-S322 WeakPolarHBondContact O-CA 3.43Å; E245-S322 VanDerWaalsContact O-CB 3.25Å; E245-S322 WeakPolarHBondContact O-CB 3.36Å; F247-S322 VanDerWaalsContact CD2-OG 3.32Å; F247-S322 WeakPolarHBondContact CD2-OG 2.7Å; F247-S322 PolarHBondContact N-OG 3.47Å; Y318-S322 WeakPolarHBondContact O-CB 3.37Å; Y318-S322 PolarHBondContact O-N 2.93Å; L320-S322 VanDerWaalsContact C-N 3.31Å; L320-S322 PolarHBondContact O-N 2.92Å; S322-R326 PolarHBondContact O-N 3.5Å
323	R	91.2	Very high	91.4	Very high	117 Å²	117	48.5 Å²	48.5	44%	0.442	24%	0.24	S	C	.	.	H	α-helix	trans	-75.3	-32.2	173.6	-69.6	163.6	-162.7	166.7	8.2	111	G319 L320 L321 R326	G319-R323 VanDerWaalsContact O-CD 3.25Å; G319-R323 WeakPolarHBondContact O-CD 3.48Å; G319-R323 WeakPolarHBondContact O-CG 3.2Å; G319-R323 PolarHBondContact O-N 3.45Å; G319-R323 PolarHBondContact O-NE 3.32Å; L320-R323 WeakPolarHBondContact O-CB 2.94Å; L320-R323 PolarHBondContact O-N 3.03Å; L321-R323 VanDerWaalsContact C-N 3.27Å; L321-R323 PolarHBondContact O-N 2.85Å; R323-R326 WeakPolarHBondContact O-CB 3.21Å; R323-R326 PolarHBondContact O-N 3Å
324	M	93.6	Very high	91.8	Very high	59 Å²	59	46.6 Å²	46.6	29%	0.291	23%	0.231	S	C	.	.	H	α-helix	trans	-73.9	-38.1	179.5	-64.9	170.3	63.2	0	0	111.8	A211 K212 V215 L320 L321 R326	A211-M324 HydrophobicContact CB-CE 4.44Å; A211-M324 HydrophobicContact CB-SD 4.13Å; A211-M324 WeakPolarHBondContact O-CE 3.35Å; K212-M324 HydrophobicContact CB-CE 4.28Å; K212-M324 HydrophobicContact CG-CE 3.82Å; V215-M324 HydrophobicContact CB-CE 4.18Å; V215-M324 HydrophobicContact CG1-CB 4.09Å; V215-M324 HydrophobicContact CG2-CB 3.88Å; V215-M324 HydrophobicContact CG2-CE 4.05Å; V215-M324 HydrophobicContact CG2-SD 4.39Å; L320-M324 HydrophobicContact CD1-CG 4.35Å; L320-M324 HydrophobicContact CD1-SD 3.84Å; L320-M324 HydrophobicContact CG-SD 3.87Å; L320-M324 WeakPolarHBondContact O-CG 3.35Å; L320-M324 PolarHBondContact O-N 2.68Å; L320-M324 VanDerWaalsContact O-N 3.16Å; L321-M324 WeakPolarHBondContact O-CB 3.5Å; L321-M324 PolarHBondContact O-N 3.05Å; M324-R326 VanDerWaalsContact C-N 3.27Å; M324-R326 PolarHBondContact O-N 3.01Å
325	V	93.6	Very high	92.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	13.9	171.6	-59.8	0	0	0	0	114.3	V215 I219 I224 I244 K246 L321 S327 E328	V215-V325 HydrophobicContact CG1-CG1 3.94Å; V215-V325 HydrophobicContact CG2-CG1 4.29Å; I219-V325 HydrophobicContact CG1-CG1 4.47Å; I224-V325 HydrophobicContact CD1-CB 4.19Å; I224-V325 HydrophobicContact CD1-CG1 3.99Å; I224-V325 HydrophobicContact CG1-CG1 4.38Å; I224-V325 HydrophobicContact CG2-CB 4.46Å; I224-V325 HydrophobicContact CG2-CG2 4.36Å; I244-V325 HydrophobicContact CG2-CG1 3.97Å; I244-V325 HydrophobicContact CG2-CG2 3.84Å; K246-V325 HydrophobicContact CB-CG2 4.23Å; L321-V325 PolarHBondContact O-N 3.41Å; V325-S327 VanDerWaalsContact C-N 3.26Å; V325-S327 PolarHBondContact O-N 3.16Å; V325-E328 HydrophobicContact CB-CB 4.5Å; V325-E328 HydrophobicContact CB-CG 4.44Å; V325-E328 PolarHBondContact O-N 2.84Å
326	R	90.5	Very high	92.2	Very high	117 Å²	117	37.7 Å²	37.7	44%	0.442	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.9	-174.4	178.5	176.3	-103.5	-166.9	-6.8	113.5	E186 K246 D248 S322 R323 M324 E328	E186-R326 IonicContact OE2-NH1 3.2Å; K246-R326 WeakPolarHBondContact CE-O 3.49Å; K246-R326 PolarHBondContact NZ-O 2.77Å; D248-R326 IonicContact OD1-NH2 3.18Å; D248-R326 PolarHBondContact OD1-NH2 3.02Å; D248-R326 IonicContact OD2-CZ 2.64Å; D248-R326 IonicContact OD2-NE 2.72Å; D248-R326 PolarHBondContact OD2-NE 2.92Å; D248-R326 IonicContact OD2-NH2 2.71Å; D248-R326 PolarHBondContact OD2-NH2 3.2Å; S322-R326 PolarHBondContact O-N 3.5Å; R323-R326 WeakPolarHBondContact O-CB 3.21Å; R323-R326 PolarHBondContact O-N 3Å; M324-R326 VanDerWaalsContact C-N 3.27Å; M324-R326 PolarHBondContact O-N 3.01Å; R326-E328 VanDerWaalsContact C-N 3.32Å
327	S	88.5	Confident	92.1	Very high	94 Å²	94	39.3 Å²	39.3	66%	0.657	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-22.3	174.8	47.2	0	0	0	0	114.2	V325	V325-S327 VanDerWaalsContact C-N 3.26Å; V325-S327 PolarHBondContact O-N 3.16Å
328	E	91.4	Very high	91.8	Very high	62 Å²	62	39.5 Å²	39.5	29%	0.29	19%	0.185	S	C	.	.	S	Bend	trans	-89.3	154	-164.3	-55	-50	115.8	0	0	113.2	I219 I224 K246 V325 R326	I219-E328 HydrophobicContact CD1-CG 4.3Å; I219-E328 HydrophobicContact CG1-CG 4.15Å; I224-E328 HydrophobicContact CD1-CB 3.49Å; I224-E328 VanDerWaalsContact CD1-CB 3.49Å; I224-E328 HydrophobicContact CD1-CG 3.8Å; K246-E328 WeakPolarHBondContact CD-O 3.33Å; K246-E328 PolarHBondContact NZ-O 3.38Å; V325-E328 HydrophobicContact CB-CB 4.5Å; V325-E328 HydrophobicContact CB-CG 4.44Å; V325-E328 PolarHBondContact O-N 2.84Å; R326-E328 VanDerWaalsContact C-N 3.32Å
329	L	90.5	Very high	91.3	Very high	115 Å²	115	42.3 Å²	42.3	60%	0.602	20%	0.204	S	C	*	.	P	Polyproline II helix	trans	-89.4	130.7	173.8	-65	179.4	0	0	0	110.3	R331 Q347	L329-R331 PolarHBondContact O-N 3.26Å; L329-Q347 HydrophobicContact CD1-CG 4.41Å
330	P	94.2	Very high	91	Very high	7 Å²	7	45 Å²	45	5%	0.045	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-66.3	124.3	176.1	27.6	-33.3	0	0	0	109.9	I224 F332 I333 Q350	I224-P330 CarbonylContact O-C 3.55Å; I224-P330 WeakPolarHBondContact O-CA 3.35Å; P330-F332 VanDerWaalsContact C-N 3.32Å; P330-I333 HydrophobicContact CB-CG1 4.28Å; P330-I333 HydrophobicContact CG-CD1 4.38Å; P330-I333 HydrophobicContact CG-CG1 3.96Å; P330-Q350 WeakPolarHBondContact O-CG 3.48Å; P330-Q350 PolarHBondContact O-NE2 3.46Å
331	R	94.5	Very high	90.6	Very high	50 Å²	50	44.3 Å²	44.3	19%	0.189	21%	0.212	C	C	.	.	S	Bend	trans	-69.5	-31.7	172.8	175.4	176.1	-167.6	75.6	-9.7	111.7	R222 I224 W243 L329 D349 Q350 I351	R222-R331 VanDerWaalsContact O-CB 3.23Å; R222-R331 WeakPolarHBondContact O-CB 3.45Å; R222-R331 WeakPolarHBondContact O-CD 3.38Å; I224-R331 PolarHBondContact O-N 2.73Å; W243-R331 HydrophobicContact CH2-CG 4.26Å; W243-R331 HydrophobicContact CZ3-CB 4.13Å; W243-R331 HydrophobicContact CZ3-CG 4.3Å; L329-R331 PolarHBondContact O-N 3.26Å; R331-D349 IonicContact CZ-OD2 3.1Å; R331-D349 PolarHBondContact NH1-O 3.25Å; R331-D349 IonicContact NH1-OD2 2.64Å; R331-D349 PolarHBondContact NH1-OD2 2.82Å; R331-Q350 CarbonylContact O-C 3.53Å; R331-Q350 WeakPolarHBondContact O-CA 3.21Å; R331-I351 PolarHBondContact O-N 2.79Å
332	F	96.1	Very high	90.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.4	179.6	-170.7	-94	0	0	0	110.1	I224 F225 S226 I234 L238 W243 P330 W334 I351 F760 L806 V809 L810	I224-F332 PolarHBondContact O-N 2.65Å; F225-F332 CarbonylContact C-O 3.56Å; F225-F332 WeakPolarHBondContact CA-O 3.37Å; F225-F332 HydrophobicContact CB-CB 4.03Å; F225-F332 HydrophobicContact CB-CD1 4.36Å; F225-F332 WeakPolarHBondContact CB-O 3.48Å; S226-F332 PolarHBondContact N-O 2.81Å; I234-F332 HydrophobicContact CG2-CE1 4.44Å; L238-F332 HydrophobicContact CD1-CD1 3.67Å; L238-F332 HydrophobicContact CD1-CE1 3.81Å; L238-F332 HydrophobicContact CD2-CD1 4.3Å; L238-F332 HydrophobicContact CD2-CE1 4.4Å; W243-F332 HydrophobicContact CE3-CB 4.21Å; W243-F332 HydrophobicContact CH2-CB 3.98Å; W243-F332 HydrophobicContact CZ3-CB 3.5Å; W243-F332 VanDerWaalsContact CZ3-CB 3.5Å; P330-F332 VanDerWaalsContact C-N 3.32Å; F332-W334 HydrophobicContact CE1-CB 4.17Å; F332-W334 AromaticContact CE1-CE3 3.84Å; F332-W334 HydrophobicContact CE1-CE3 3.84Å; F332-W334 AromaticContact CZ-CE3 3.77Å; F332-W334 HydrophobicContact CZ-CE3 3.77Å; F332-W334 HydrophobicContact CZ-CZ3 4.29Å; F332-I351 HydrophobicContact CD2-CB 3.87Å; F332-I351 HydrophobicContact CD2-CD1 4.46Å; F332-I351 HydrophobicContact CD2-CG2 3.86Å; F332-I351 HydrophobicContact CE2-CB 4.46Å; F332-I351 HydrophobicContact CE2-CG2 3.95Å; F332-F760 AromaticContact CE2-CE1 3.87Å; F332-F760 HydrophobicContact CE2-CE1 3.87Å; F332-F760 HydrophobicContact CE2-CZ 4.18Å; F332-F760 HydrophobicContact CZ-CE1 4.15Å; F332-F760 AromaticContact CZ-CZ 3.99Å; F332-F760 HydrophobicContact CZ-CZ 3.99Å; F332-L806 HydrophobicContact CE1-CD2 3.84Å; F332-L806 HydrophobicContact CE2-CD2 4.2Å; F332-L806 HydrophobicContact CZ-CD2 3.39Å; F332-V809 HydrophobicContact CE2-CG2 3.99Å; F332-V809 HydrophobicContact CZ-CG2 4.44Å; F332-L810 HydrophobicContact CD2-CD1 4.24Å; F332-L810 HydrophobicContact CD2-CD2 3.79Å; F332-L810 HydrophobicContact CD2-CG 4.3Å; F332-L810 HydrophobicContact CE2-CD1 4.21Å; F332-L810 HydrophobicContact CE2-CD2 4.03Å; F332-L810 HydrophobicContact CE2-CG 4.14Å
333	I	95.2	Very high	89.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.3	-179.4	-63.1	157.7	0	0	0	107.6	I251 P330 V341 L346 I351 I352 N353	I251-I333 HydrophobicContact CD1-CD1 3.9Å; I251-I333 HydrophobicContact CD1-CG1 4.02Å; I251-I333 HydrophobicContact CD1-CG2 3.86Å; P330-I333 HydrophobicContact CB-CG1 4.28Å; P330-I333 HydrophobicContact CG-CD1 4.38Å; P330-I333 HydrophobicContact CG-CG1 3.96Å; I333-V341 HydrophobicContact CG2-CG2 3.8Å; I333-L346 HydrophobicContact CD1-CD2 3.55Å; I333-I351 PolarHBondContact N-O 3.07Å; I333-I352 WeakPolarHBondContact O-CA 3.23Å; I333-N353 PolarHBondContact O-N 3.4Å; I333-N353 PolarHBondContact O-OD1 3.11Å
334	W	95.3	Very high	89.3	Confident	7 Å²	7	47.8 Å²	47.8	3%	0.027	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.2	168.9	-165.1	-74.3	0	0	0	109.1	S226 I227 L228 Y231 I234 F332 N353 F760 L802 T805 L806	S226-W334 PolarHBondContact O-N 3.47Å; I227-W334 CarbonylContact C-O 3.42Å; I227-W334 VanDerWaalsContact CA-O 3.31Å; I227-W334 WeakPolarHBondContact CA-O 3.32Å; I227-W334 HydrophobicContact CG1-CB 4.33Å; L228-W334 PolarHBondContact N-O 2.94Å; Y231-W334 AromaticContact CD1-NE1 3.47Å; Y231-W334 AromaticContact CD2-CD1 3.26Å; Y231-W334 HydrophobicContact CD2-CG 4.49Å; Y231-W334 AromaticContact CD2-NE1 3.4Å; Y231-W334 AromaticContact CE1-NE1 3.51Å; Y231-W334 AromaticContact CE2-CD1 3.51Å; Y231-W334 AromaticContact CE2-NE1 3.41Å; Y231-W334 AromaticContact CG-CD1 3.59Å; Y231-W334 AromaticContact CG-NE1 3.41Å; Y231-W334 AromaticContact CZ-NE1 3.47Å; I234-W334 HydrophobicContact CD1-CD2 4.27Å; I234-W334 HydrophobicContact CD1-CE3 3.96Å; I234-W334 HydrophobicContact CD1-CH2 3.71Å; I234-W334 HydrophobicContact CD1-CZ2 4.04Å; I234-W334 HydrophobicContact CD1-CZ3 3.66Å; I234-W334 HydrophobicContact CG1-CD2 3.98Å; I234-W334 HydrophobicContact CG1-CE3 4.17Å; I234-W334 HydrophobicContact CG1-CH2 4.25Å; I234-W334 HydrophobicContact CG1-CZ2 4.08Å; I234-W334 HydrophobicContact CG1-CZ3 4.29Å; I234-W334 HydrophobicContact CG2-CB 4.27Å; I234-W334 HydrophobicContact CG2-CD2 4.08Å; I234-W334 HydrophobicContact CG2-CE3 4.08Å; I234-W334 HydrophobicContact CG2-CG 4.17Å; F332-W334 HydrophobicContact CE1-CB 4.17Å; F332-W334 AromaticContact CE1-CE3 3.84Å; F332-W334 HydrophobicContact CE1-CE3 3.84Å; F332-W334 AromaticContact CZ-CE3 3.77Å; F332-W334 HydrophobicContact CZ-CE3 3.77Å; F332-W334 HydrophobicContact CZ-CZ3 4.29Å; W334-N353 WeakPolarHBondContact CA-OD1 3.26Å; W334-N353 HydrophobicContact CD2-CB 3.98Å; W334-N353 HydrophobicContact CE3-CB 3.91Å; W334-N353 HydrophobicContact CG-CB 4.48Å; W334-N353 HydrophobicContact CZ3-CB 4.24Å; W334-F760 HydrophobicContact CE3-CZ 4.01Å; W334-F760 HydrophobicContact CH2-CE2 4.35Å; W334-F760 AromaticContact CZ3-CE2 3.89Å; W334-F760 HydrophobicContact CZ3-CE2 3.89Å; W334-F760 AromaticContact CZ3-CZ 3.71Å; W334-F760 HydrophobicContact CZ3-CZ 3.71Å; W334-L802 HydrophobicContact CH2-CD2 3.86Å; W334-L802 HydrophobicContact CZ2-CD2 3.44Å; W334-L802 VanDerWaalsContact CZ2-CD2 3.44Å; W334-T805 HydrophobicContact CH2-CG2 3.97Å; W334-T805 HydrophobicContact CZ3-CG2 4.03Å; W334-L806 HydrophobicContact CE3-CD2 4.49Å; W334-L806 HydrophobicContact CZ3-CD2 4.26Å
335	S	92.5	Very high	88.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150.3	-175.5	51.8	0	0	0	0	112.2	N353 H354	S335-N353 PolarHBondContact N-OD1 2.94Å; S335-N353 PolarHBondContact O-ND2 3.18Å; S335-N353 PolarHBondContact OG-OD1 3.27Å; S335-H354 PolarHBondContact O-NE2 2.9Å; S335-H354 PolarHBondContact OG-CD2 2.86Å; S335-H354 PolarHBondContact OG-NE2 2.97Å
336	L	87.4	Confident	88.5	Confident	17 Å²	17	49.9 Å²	49.9	9%	0.089	25%	0.246	C	C	.	.	S	Bend	trans	-74.8	-25.8	178.3	-178.8	59.6	0	0	0	112.5	L228 Y231 S294 D297 Q340	L228-L336 WeakPolarHBondContact O-CB 3.32Å; L228-L336 PolarHBondContact O-N 3.4Å; Y231-L336 HydrophobicContact CE2-CB 4.13Å; Y231-L336 HydrophobicContact CE2-CD1 4.34Å; Y231-L336 VanDerWaalsContact OH-CD1 3.22Å; Y231-L336 WeakPolarHBondContact OH-CD1 3.28Å; S294-L336 WeakPolarHBondContact CB-O 3.48Å; S294-L336 PolarHBondContact OG-O 2.99Å; D297-L336 HydrophobicContact CB-CD1 4.28Å; D297-L336 HydrophobicContact CB-CD2 3.97Å; D297-L336 VanDerWaalsContact OD2-CD1 3.29Å; D297-L336 WeakPolarHBondContact OD2-CD1 3.27Å; L336-Q340 VanDerWaalsContact N-OE1 3.07Å
337	R	84.2	Confident	88.5	Confident	54 Å²	54	49.2 Å²	49.2	20%	0.204	25%	0.248	C	C	.	.			trans	-141.5	137.6	178.5	-63.8	169	-153.2	-136.7	-4	111.2	S294 D295 N339 Q340	S294-R337 PolarHBondContact O-NH2 2.86Å; S294-R337 WeakPolarHBondContact OG-CG 3.5Å; S294-R337 PolarHBondContact OG-NE 3.21Å; D295-R337 IonicContact OD1-CZ 3.19Å; D295-R337 IonicContact OD1-NH1 2.73Å; D295-R337 PolarHBondContact OD1-NH1 2.79Å; D295-R337 IonicContact OD1-NH2 2.63Å; D295-R337 PolarHBondContact OD1-NH2 2.81Å; R337-N339 WeakPolarHBondContact CB-OD1 3.32Å; R337-N339 PolarHBondContact O-N 2.86Å; R337-N339 VanDerWaalsContact O-N 3.16Å; R337-Q340 HydrophobicContact CB-CG 4.14Å; R337-Q340 WeakPolarHBondContact O-CB 3.4Å; R337-Q340 PolarHBondContact O-N 3.44Å; R337-Q340 PolarHBondContact O-OE1 3.45Å
338	K	85.4	Confident	88.4	Confident	26 Å²	26	52 Å²	52	11%	0.113	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-42.3	-44.2	164.4	-173.3	-164.9	-171.3	-170.8	0	112.6	E290 D291 Q340 V341 F343 H354 H355 S356	E290-K338 IonicContact OE2-NZ 3.87Å; E290-K338 PolarHBondContact OE2-NZ 2.92Å; D291-K338 WeakPolarHBondContact OD1-CB 3.19Å; D291-K338 WeakPolarHBondContact OD2-CB 3.48Å; D291-K338 WeakPolarHBondContact OD2-CD 3.36Å; K338-Q340 PolarHBondContact O-N 3.09Å; K338-V341 PolarHBondContact O-N 2.94Å; K338-V341 VanDerWaalsContact O-N 3.12Å; K338-F343 HydrophobicContact CB-CE2 4.47Å; K338-F343 HydrophobicContact CG-CD2 4.47Å; K338-F343 HydrophobicContact CG-CE2 3.52Å; K338-F343 HydrophobicContact CG-CZ 3.93Å; K338-H354 HydrophobicContact CB-CB 4.37Å; K338-H354 PolarHBondContact N-CE1 3.19Å; K338-H355 WeakPolarHBondContact CE-O 3.43Å; K338-S356 WeakPolarHBondContact CE-O 3.28Å; K338-S356 PolarHBondContact NZ-O 2.84Å
339	N	83.9	Confident	88.4	Confident	125 Å²	125	51.7 Å²	51.7	67%	0.668	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-70.3	-7.4	-177	80.9	-16.8	0	0	0	115.5	R337 V341	R337-N339 WeakPolarHBondContact CB-OD1 3.32Å; R337-N339 PolarHBondContact O-N 2.86Å; R337-N339 VanDerWaalsContact O-N 3.16Å; N339-V341 VanDerWaalsContact C-N 3.26Å
340	Q	83.4	Confident	88.5	Confident	60 Å²	60	47.1 Å²	47.1	28%	0.28	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-80.6	-6.2	171.4	-61.9	169.3	-58	0	0	112.5	L228 L336 R337 K338	L228-Q340 HydrophobicContact CD1-CB 4.01Å; L228-Q340 PolarHBondContact O-OE1 3.28Å; L336-Q340 VanDerWaalsContact N-OE1 3.07Å; R337-Q340 HydrophobicContact CB-CG 4.14Å; R337-Q340 WeakPolarHBondContact O-CB 3.4Å; R337-Q340 PolarHBondContact O-N 3.44Å; R337-Q340 PolarHBondContact O-OE1 3.45Å; K338-Q340 PolarHBondContact O-N 3.09Å
341	V	83.4	Confident	88.6	Confident	9 Å²	9	47 Å²	47	6%	0.055	22%	0.223	C	C	.	.	S	Bend	trans	-132.6	128.1	-176.3	179.1	0	0	0	0	111.9	L228 I251 I333 K338 N339 F343 L346 I352	L228-V341 HydrophobicContact CD1-CG2 4.07Å; I251-V341 HydrophobicContact CD1-CG2 4.42Å; I251-V341 HydrophobicContact CG2-CB 4.41Å; I251-V341 HydrophobicContact CG2-CG1 3.81Å; I333-V341 HydrophobicContact CG2-CG2 3.8Å; K338-V341 PolarHBondContact O-N 2.94Å; K338-V341 VanDerWaalsContact O-N 3.12Å; N339-V341 VanDerWaalsContact C-N 3.26Å; V341-F343 WeakPolarHBondContact O-CD2 3.34Å; V341-F343 PolarHBondContact O-N 2.99Å; V341-L346 HydrophobicContact CG1-CD1 3.88Å; V341-L346 HydrophobicContact CG1-CD2 3.8Å; V341-L346 HydrophobicContact CG1-CG 3.88Å; V341-I352 HydrophobicContact CB-CD1 3.72Å; V341-I352 HydrophobicContact CG1-CD1 3.54Å; V341-I352 HydrophobicContact CG2-CD1 3.9Å
342	D	84.2	Confident	88.6	Confident	52 Å²	52	44.6 Å²	44.6	28%	0.278	21%	0.214	S	C	.	.			trans	-81.7	101	174.9	179.9	1.5	0	0	0	112	H344 N345 L346	D342-H344 PolarHBondContact O-N 2.89Å; D342-H344 WeakPolarHBondContact OD1-CA 3.34Å; D342-H344 VanDerWaalsContact OD1-CB 3.27Å; D342-H344 WeakPolarHBondContact OD1-CB 3.34Å; D342-H344 IonicContact OD1-CD2 3.17Å; D342-H344 IonicContact OD1-CG 2.76Å; D342-H344 PolarHBondContact OD1-N 3.28Å; D342-N345 HydrophobicContact CB-CB 4.46Å; D342-N345 PolarHBondContact O-N 2.83Å; D342-N345 VanDerWaalsContact O-N 3.14Å; D342-N345 PolarHBondContact OD2-ND2 2.73Å; D342-L346 PolarHBondContact O-N 3.16Å
343	F	85	Confident	88.5	Confident	28 Å²	28	45.3 Å²	45.3	12%	0.123	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.9	176.7	-75.4	-103.2	0	0	0	114.3	K338 V341 L346 I352 H354 H355 R756	K338-F343 HydrophobicContact CB-CE2 4.47Å; K338-F343 HydrophobicContact CG-CD2 4.47Å; K338-F343 HydrophobicContact CG-CE2 3.52Å; K338-F343 HydrophobicContact CG-CZ 3.93Å; V341-F343 WeakPolarHBondContact O-CD2 3.34Å; V341-F343 PolarHBondContact O-N 2.99Å; F343-L346 HydrophobicContact CD1-CD1 4.37Å; F343-I352 HydrophobicContact CE1-CD1 4.42Å; F343-I352 HydrophobicContact CE1-CG2 4.43Å; F343-I352 HydrophobicContact CE2-CD1 4.3Å; F343-I352 HydrophobicContact CZ-CD1 3.97Å; F343-H354 HydrophobicContact CZ-CB 3.77Å; F343-H355 VanDerWaalsContact CE1-C 3.49Å; F343-H355 WeakPolarHBondContact CZ-O 3.45Å; F343-R756 PolarHBondContact O-NH1 2.86Å
344	H	83.6	Confident	88.5	Confident	122 Å²	122	45.9 Å²	45.9	57%	0.565	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-30.9	176.4	-63.9	-44	0	0	0	112.9	D342 K1320	D342-H344 PolarHBondContact O-N 2.89Å; D342-H344 WeakPolarHBondContact OD1-CA 3.34Å; D342-H344 VanDerWaalsContact OD1-CB 3.27Å; D342-H344 WeakPolarHBondContact OD1-CB 3.34Å; D342-H344 IonicContact OD1-CD2 3.17Å; D342-H344 IonicContact OD1-CG 2.76Å; D342-H344 PolarHBondContact OD1-N 3.28Å; H344-K1320 PolarHBondContact CD2-NZ 3.5Å; H344-K1320 WeakPolarHBondContact NE2-CE 3.25Å; H344-K1320 PolarHBondContact NE2-NZ 3.3Å
345	N	84.3	Confident	88.3	Confident	88 Å²	88	46 Å²	46	47%	0.471	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-13.3	-176.9	-80.4	-45.9	0	0	0	114	D342 Q347	D342-N345 HydrophobicContact CB-CB 4.46Å; D342-N345 PolarHBondContact O-N 2.83Å; D342-N345 VanDerWaalsContact O-N 3.14Å; D342-N345 PolarHBondContact OD2-ND2 2.73Å; N345-Q347 PolarHBondContact O-N 2.88Å
346	L	86	Confident	88	Confident	14 Å²	14	47.3 Å²	47.3	7%	0.073	23%	0.231	C	C	.	.			trans	-54.5	133.2	169.5	-75.5	-178.7	0	0	0	112.4	I333 V341 D342 F343 Q350 I352 R756	I333-L346 HydrophobicContact CD1-CD2 3.55Å; V341-L346 HydrophobicContact CG1-CD1 3.88Å; V341-L346 HydrophobicContact CG1-CD2 3.8Å; V341-L346 HydrophobicContact CG1-CG 3.88Å; D342-L346 PolarHBondContact O-N 3.16Å; F343-L346 HydrophobicContact CD1-CD1 4.37Å; L346-Q350 HydrophobicContact CD2-CB 4.4Å; L346-I352 HydrophobicContact CD1-CB 4.4Å; L346-I352 HydrophobicContact CD1-CD1 4.05Å; L346-I352 HydrophobicContact CD1-CG2 3.95Å; L346-R756 VanDerWaalsContact C-NH2 3.34Å; L346-R756 VanDerWaalsContact CB-NH2 3.26Å; L346-R756 PolarHBondContact O-NH2 2.77Å
347	Q	89.1	Confident	87.9	Confident	103 Å²	103	47 Å²	47	48%	0.481	23%	0.232	S	C	.	.			trans	-69.1	165	171.3	-64	-61.4	-28.9	0	0	112.3	L329 N345 D349 Q350 R756	L329-Q347 HydrophobicContact CD1-CG 4.41Å; N345-Q347 PolarHBondContact O-N 2.88Å; Q347-D349 PolarHBondContact O-N 2.88Å; Q347-Q350 HydrophobicContact CB-CG 4.07Å; Q347-R756 PolarHBondContact O-NH2 3.47Å
348	K	87.7	Confident	88.1	Confident	152 Å²	152	45 Å²	45	66%	0.661	23%	0.227	S	C	*	.	S	Bend	trans	-72	-23.9	-177	-73.2	-171.5	175.8	-177.1	0	114.4	N758	K348-N758 PolarHBondContact O-ND2 3.18Å
349	D	90.1	Very high	88.3	Confident	56 Å²	56	44.9 Å²	44.9	30%	0.299	23%	0.229	S	C	.	.	S	Bend	trans	-106.4	0.7	-179.5	74.4	-44.1	0	0	0	114.4	R222 R331 Q347	R222-D349 IonicContact CZ-OD2 3.95Å; R222-D349 IonicContact NH1-OD2 3.19Å; R222-D349 PolarHBondContact NH1-OD2 2.73Å; R331-D349 IonicContact CZ-OD2 3.1Å; R331-D349 PolarHBondContact NH1-O 3.25Å; R331-D349 IonicContact NH1-OD2 2.64Å; R331-D349 PolarHBondContact NH1-OD2 2.82Å; Q347-D349 PolarHBondContact O-N 2.88Å
350	Q	93.7	Very high	88.7	Confident	19 Å²	19	39 Å²	39	9%	0.089	20%	0.197	C	C	.	.			trans	-70.9	139.8	166	-74	179.8	-65.7	0	0	110.4	P330 R331 L346 Q347 N758	P330-Q350 WeakPolarHBondContact O-CG 3.48Å; P330-Q350 PolarHBondContact O-NE2 3.46Å; R331-Q350 CarbonylContact O-C 3.53Å; R331-Q350 WeakPolarHBondContact O-CA 3.21Å; L346-Q350 HydrophobicContact CD2-CB 4.4Å; Q347-Q350 HydrophobicContact CB-CG 4.07Å; Q350-N758 WeakPolarHBondContact O-CB 3.43Å
351	I	95.1	Very high	89.1	Confident	5 Å²	5	36.9 Å²	36.9	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.8	-177.7	-50	173.8	0	0	0	108.2	R331 F332 I333 N758 F760 L810	R331-I351 PolarHBondContact O-N 2.79Å; F332-I351 HydrophobicContact CD2-CB 3.87Å; F332-I351 HydrophobicContact CD2-CD1 4.46Å; F332-I351 HydrophobicContact CD2-CG2 3.86Å; F332-I351 HydrophobicContact CE2-CB 4.46Å; F332-I351 HydrophobicContact CE2-CG2 3.95Å; I333-I351 PolarHBondContact N-O 3.07Å; I351-N758 VanDerWaalsContact CA-O 3.31Å; I351-N758 WeakPolarHBondContact CA-O 3.42Å; I351-N758 HydrophobicContact CB-CB 4.48Å; I351-N758 HydrophobicContact CG1-CB 4.15Å; I351-N758 WeakPolarHBondContact CG2-O 3.36Å; I351-F760 HydrophobicContact CG2-CD1 3.98Å; I351-F760 HydrophobicContact CG2-CE1 3.87Å; I351-L810 HydrophobicContact CD1-CD2 3.76Å
352	I	94.8	Very high	89.3	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.9	-177.2	-178.4	170.3	0	0	0	111.7	I333 V341 F343 L346 H354 N758 C759 F760	I333-I352 WeakPolarHBondContact O-CA 3.23Å; V341-I352 HydrophobicContact CB-CD1 3.72Å; V341-I352 HydrophobicContact CG1-CD1 3.54Å; V341-I352 HydrophobicContact CG2-CD1 3.9Å; F343-I352 HydrophobicContact CE1-CD1 4.42Å; F343-I352 HydrophobicContact CE1-CG2 4.43Å; F343-I352 HydrophobicContact CE2-CD1 4.3Å; F343-I352 HydrophobicContact CZ-CD1 3.97Å; L346-I352 HydrophobicContact CD1-CB 4.4Å; L346-I352 HydrophobicContact CD1-CD1 4.05Å; L346-I352 HydrophobicContact CD1-CG2 3.95Å; I352-H354 HydrophobicContact CD1-CB 4.44Å; I352-H354 HydrophobicContact CG1-CB 4.35Å; I352-H354 PolarHBondContact O-N 3.47Å; I352-N758 PolarHBondContact N-O 2.97Å; I352-C759 HydrophobicContact CG2-CB 4.28Å; I352-C759 WeakPolarHBondContact CG2-SG 3.46Å; I352-F760 WeakPolarHBondContact O-CD1 3.49Å; I352-F760 WeakPolarHBondContact O-CE1 3.24Å; I352-F760 PolarHBondContact O-N 2.8Å
353	N	95.2	Very high	89.6	Confident	15 Å²	15	36.8 Å²	36.8	8%	0.08	19%	0.188	C	C	.	.	S	Bend	trans	-79	15.9	-180	74.3	-53.7	0	0	0	115.7	I333 W334 S335 F760	I333-N353 PolarHBondContact O-N 3.4Å; I333-N353 PolarHBondContact O-OD1 3.11Å; W334-N353 WeakPolarHBondContact CA-OD1 3.26Å; W334-N353 HydrophobicContact CD2-CB 3.98Å; W334-N353 HydrophobicContact CE3-CB 3.91Å; W334-N353 HydrophobicContact CG-CB 4.48Å; W334-N353 HydrophobicContact CZ3-CB 4.24Å; S335-N353 PolarHBondContact N-OD1 2.94Å; S335-N353 PolarHBondContact O-ND2 3.18Å; S335-N353 PolarHBondContact OG-OD1 3.27Å; N353-F760 CarbonylContact C-O 3.55Å; N353-F760 VanDerWaalsContact CA-CZ 3.47Å; N353-F760 HydrophobicContact CB-CD2 4.32Å; N353-F760 HydrophobicContact CB-CE1 4.1Å; N353-F760 HydrophobicContact CB-CE2 3.54Å; N353-F760 HydrophobicContact CB-CZ 3.41Å; N353-F760 VanDerWaalsContact CB-CZ 3.41Å
354	H	93.6	Very high	89.7	Confident	12 Å²	12	36.1 Å²	36.1	6%	0.056	19%	0.186	C	C	.	.	S	Bend	trans	-134.6	152.4	177.1	-65.4	-87.7	0	0	0	111.7	S335 K338 F343 I352 C759 F760 S784	S335-H354 PolarHBondContact O-NE2 2.9Å; S335-H354 PolarHBondContact OG-CD2 2.86Å; S335-H354 PolarHBondContact OG-NE2 2.97Å; K338-H354 HydrophobicContact CB-CB 4.37Å; K338-H354 PolarHBondContact N-CE1 3.19Å; F343-H354 HydrophobicContact CZ-CB 3.77Å; I352-H354 HydrophobicContact CD1-CB 4.44Å; I352-H354 HydrophobicContact CG1-CB 4.35Å; I352-H354 PolarHBondContact O-N 3.47Å; H354-C759 VanDerWaalsContact O-CB 3.29Å; H354-C759 WeakPolarHBondContact O-CB 3.41Å; H354-C759 PolarHBondContact O-SG 3.21Å; H354-C759 VanDerWaalsContact O-SG 3.35Å; H354-F760 CarbonylContact C-O 3.57Å; H354-F760 VanDerWaalsContact C-O 3.23Å; H354-F760 VanDerWaalsContact CA-O 3.25Å; H354-F760 WeakPolarHBondContact CA-O 3.26Å; H354-F760 PolarHBondContact N-O 3Å; H354-S784 PolarHBondContact CE1-OG 2.95Å; H354-S784 VanDerWaalsContact CE1-OG 3.25Å
355	H	91.3	Very high	90	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.037	16%	0.164	C	C	.	.			trans	-95	158.8	167.1	-68.8	-81.1	0	0	0	110.9	K338 F343 G357 I654 W657 C759 F760 G761 Y763	K338-H355 WeakPolarHBondContact CE-O 3.43Å; F343-H355 VanDerWaalsContact CE1-C 3.49Å; F343-H355 WeakPolarHBondContact CZ-O 3.45Å; H355-G357 VanDerWaalsContact C-N 3.26Å; H355-G357 PolarHBondContact O-N 3.08Å; H355-I654 PolarHBondContact NE2-O 3.33Å; H355-I654 VanDerWaalsContact NE2-O 3.13Å; H355-W657 AromaticContact CD2-NE1 3.86Å; H355-W657 AromaticContact CE1-CD1 3.41Å; H355-W657 VanDerWaalsContact CE1-CD1 3.41Å; H355-W657 AromaticContact CE1-NE1 3.38Å; H355-W657 PolarHBondContact CE1-NE1 3.33Å; H355-W657 AromaticContact CG-NE1 3.63Å; H355-W657 AromaticContact ND1-CD1 3.34Å; H355-W657 VanDerWaalsContact ND1-CD1 3.34Å; H355-W657 AromaticContact ND1-NE1 3.33Å; H355-W657 PolarHBondContact ND1-NE1 2.92Å; H355-W657 AromaticContact NE2-NE1 3.68Å; H355-C759 PolarHBondContact CE1-O 3.26Å; H355-F760 WeakPolarHBondContact NE2-CA 3.44Å; H355-G761 PolarHBondContact NE2-N 2.83Å; H355-G761 VanDerWaalsContact NE2-N 3.19Å; H355-Y763 PolarHBondContact CD2-OH 2.97Å; H355-Y763 VanDerWaalsContact CD2-OH 3.3Å
356	S	85.8	Confident	90.4	Very high	29 Å²	29	26.8 Å²	26.8	20%	0.203	14%	0.143	C	C	.	.	S	Bend	trans	-73.3	-15.8	179.9	48.3	0	0	0	0	114	K338	K338-S356 WeakPolarHBondContact CE-O 3.28Å; K338-S356 PolarHBondContact NZ-O 2.84Å
357	G	86.3	Confident	90.7	Very high	11 Å²	11	26.2 Å²	26.2	11%	0.113	14%	0.14	C	C	.	.			trans	-156.7	147	170.8	0	0	0	0	0	111.3	E290 H355	E290-G357 WeakPolarHBondContact OE2-CA 3.41Å; H355-G357 VanDerWaalsContact C-N 3.26Å; H355-G357 PolarHBondContact O-N 3.08Å
358	A	88.6	Confident	90.8	Very high	11 Å²	11	25.2 Å²	25.2	9%	0.091	13%	0.134	C	C	.	.			trans	-152.6	56.1	178.4	0	0	0	0	0	113.1	E290 F360 T361 Y763	E290-A358 PolarHBondContact OE1-N 3.31Å; E290-A358 PolarHBondContact OE2-N 3.3Å; A358-F360 HydrophobicContact CB-CE1 4.09Å; A358-F360 HydrophobicContact CB-CZ 4.11Å; A358-F360 PolarHBondContact O-N 2.93Å; A358-T361 HydrophobicContact CB-CG2 4.27Å; A358-T361 PolarHBondContact O-N 2.79Å; A358-T361 PolarHBondContact O-OG1 3.03Å; A358-Y763 HydrophobicContact CB-CE1 4.16Å
359	P	89.4	Confident	90.9	Very high	24 Å²	24	18.5 Å²	18.5	16%	0.156	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-59	-18.4	-166.2	15.4	-27.6	0	0	0	115.9	E290 T361 T362 G365 S752	E290-P359 WeakPolarHBondContact OE1-CA 3.08Å; E290-P359 WeakPolarHBondContact OE1-CD 3.46Å; P359-T361 PolarHBondContact O-N 2.63Å; P359-T362 PolarHBondContact O-N 3.41Å; P359-T362 PolarHBondContact O-OG1 3.35Å; P359-G365 WeakPolarHBondContact O-CA 3.45Å; P359-S752 WeakPolarHBondContact CG-OG 3.39Å
360	F	92.2	Very high	91	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-64.3	-13.2	172	60.2	-96.6	0	0	0	114.3	A358 T362 L366 I654 W657 V745 L746 S749 I753 Y763 I781	A358-F360 HydrophobicContact CB-CE1 4.09Å; A358-F360 HydrophobicContact CB-CZ 4.11Å; A358-F360 PolarHBondContact O-N 2.93Å; F360-T362 VanDerWaalsContact C-N 3.33Å; F360-L366 HydrophobicContact CB-CD1 4.4Å; F360-I654 HydrophobicContact CZ-CD1 4.01Å; F360-W657 HydrophobicContact CD1-CH2 4.47Å; F360-W657 AromaticContact CE1-CH2 3.69Å; F360-W657 HydrophobicContact CE1-CH2 3.69Å; F360-W657 AromaticContact CE1-CZ2 3.65Å; F360-W657 HydrophobicContact CE1-CZ2 3.65Å; F360-W657 HydrophobicContact CZ-CH2 4.34Å; F360-W657 HydrophobicContact CZ-CZ2 4.07Å; F360-V745 HydrophobicContact CB-CG1 3.74Å; F360-V745 HydrophobicContact CG-CG1 4.31Å; F360-L746 HydrophobicContact CD1-CD2 4.36Å; F360-L746 HydrophobicContact CD2-CD2 4.4Å; F360-L746 HydrophobicContact CE1-CD2 4.01Å; F360-L746 HydrophobicContact CE2-CD2 4.04Å; F360-L746 HydrophobicContact CZ-CD2 3.83Å; F360-S749 WeakPolarHBondContact CD1-OG 3.41Å; F360-I753 HydrophobicContact CD1-CD1 4.04Å; F360-I753 HydrophobicContact CE1-CD1 3.67Å; F360-Y763 AromaticContact CE2-CD1 3.8Å; F360-Y763 HydrophobicContact CE2-CD1 3.8Å; F360-Y763 AromaticContact CE2-CE1 3.63Å; F360-Y763 HydrophobicContact CE2-CE1 3.63Å; F360-Y763 HydrophobicContact CE2-CE2 4.5Å; F360-Y763 HydrophobicContact CE2-CG 4.3Å; F360-Y763 AromaticContact CE2-CZ 4Å; F360-Y763 HydrophobicContact CZ-CD1 4.25Å; F360-Y763 AromaticContact CZ-CE1 3.65Å; F360-Y763 HydrophobicContact CZ-CE1 3.65Å; F360-Y763 HydrophobicContact CZ-CE2 4.13Å; F360-Y763 AromaticContact CZ-CZ 3.57Å; F360-I781 HydrophobicContact CD2-CB 4.29Å; F360-I781 HydrophobicContact CD2-CD1 4.11Å; F360-I781 HydrophobicContact CD2-CG2 3.93Å; F360-I781 HydrophobicContact CE2-CG2 4.02Å
361	T	91.8	Very high	90.7	Very high	16 Å²	16	20.3 Å²	20.3	10%	0.098	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-82.6	-13.1	172.2	64.1	0	0	0	0	113	A358 P359 Y763 I781	A358-T361 HydrophobicContact CB-CG2 4.27Å; A358-T361 PolarHBondContact O-N 2.79Å; A358-T361 PolarHBondContact O-OG1 3.03Å; P359-T361 PolarHBondContact O-N 2.63Å; T361-Y763 HydrophobicContact CG2-CD1 3.78Å; T361-Y763 HydrophobicContact CG2-CE1 3.75Å; T361-I781 VanDerWaalsContact CA-O 3.23Å; T361-I781 WeakPolarHBondContact CA-O 3.43Å; T361-I781 HydrophobicContact CG2-CG2 4.35Å
362	T	88.4	Confident	90.2	Very high	36 Å²	36	24 Å²	24	22%	0.221	13%	0.125	C	C	.	.	S	Bend	trans	-92	144.6	174.3	73.8	0	0	0	0	110.7	P359 F360 V364 G365 L366	P359-T362 PolarHBondContact O-N 3.41Å; P359-T362 PolarHBondContact O-OG1 3.35Å; F360-T362 VanDerWaalsContact C-N 3.33Å; T362-V364 PolarHBondContact O-N 3.22Å; T362-G365 PolarHBondContact O-N 2.98Å; T362-G365 WeakPolarHBondContact OG1-CA 3.43Å; T362-G365 PolarHBondContact OG1-N 3.11Å; T362-L366 WeakPolarHBondContact O-CB 3.36Å; T362-L366 PolarHBondContact O-N 3.28Å
363	K	88.7	Confident	89.8	Confident	23 Å²	23	24.1 Å²	24.1	10%	0.1	13%	0.125	C	C	.	.	H	α-helix	trans	-60.9	-34.8	179.9	-68.8	-77.7	154.1	45.7	0	112.5	C367 K595 I630 E780	K363-C367 WeakPolarHBondContact O-CB 3.44Å; K363-C367 PolarHBondContact O-N 3.31Å; K363-K595 HydrophobicContact CD-CD 3.98Å; K363-I630 HydrophobicContact CB-CD1 3.79Å; K363-I630 HydrophobicContact CB-CG1 4.2Å; K363-I630 HydrophobicContact CD-CD1 4.14Å; K363-I630 HydrophobicContact CG-CD1 4.41Å; K363-E780 VanDerWaalsContact CE-CB 3.44Å; K363-E780 WeakPolarHBondContact CE-OE2 3.18Å; K363-E780 IonicContact NZ-OE2 2.73Å; K363-E780 PolarHBondContact NZ-OE2 3.48Å
364	V	89	Confident	89.2	Confident	14 Å²	14	31 Å²	31	9%	0.085	15%	0.15	C	C	.	.	H	α-helix	trans	-76.2	-45.5	177.4	177.6	0	0	0	0	111.2	T362 C367 K368 I390 R628 I630	T362-V364 PolarHBondContact O-N 3.22Å; V364-C367 WeakPolarHBondContact O-CB 3.28Å; V364-C367 PolarHBondContact O-N 2.84Å; V364-K368 HydrophobicContact CG1-CD 4.43Å; V364-K368 WeakPolarHBondContact O-CG 3.13Å; V364-K368 PolarHBondContact O-N 3.01Å; V364-I390 HydrophobicContact CG1-CD1 4.05Å; V364-R628 HydrophobicContact CG2-CB 4.27Å; V364-I630 HydrophobicContact CG2-CG2 3.94Å
365	G	90	Very high	88.6	Confident	11 Å²	11	39.7 Å²	39.7	11%	0.113	18%	0.182	C	C	.	.	H	α-helix	trans	-66	-45.7	-178.8	0	0	0	0	0	112.8	P359 T362 C367 K368 Q369	P359-G365 WeakPolarHBondContact O-CA 3.45Å; T362-G365 PolarHBondContact O-N 2.98Å; T362-G365 WeakPolarHBondContact OG1-CA 3.43Å; T362-G365 PolarHBondContact OG1-N 3.11Å; G365-C367 VanDerWaalsContact C-N 3.3Å; G365-C367 PolarHBondContact O-N 3.49Å; G365-K368 PolarHBondContact O-N 2.99Å; G365-Q369 WeakPolarHBondContact O-CG 3.16Å; G365-Q369 PolarHBondContact O-N 2.92Å; G365-Q369 PolarHBondContact O-OE1 3.31Å
366	L	92.5	Very high	88.1	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-55.9	-44.3	174	-176.4	59.9	0	0	0	111.9	F360 T362 L370 F385 V745	F360-L366 HydrophobicContact CB-CD1 4.4Å; T362-L366 WeakPolarHBondContact O-CB 3.36Å; T362-L366 PolarHBondContact O-N 3.28Å; L366-L370 HydrophobicContact CD1-CD1 3.88Å; L366-L370 HydrophobicContact CD1-CG 4.23Å; L366-L370 HydrophobicContact CG-CD1 4.06Å; L366-L370 WeakPolarHBondContact O-CB 3.18Å; L366-L370 WeakPolarHBondContact O-CG 3.5Å; L366-L370 PolarHBondContact O-N 2.71Å; L366-F385 HydrophobicContact CD2-CE2 3.76Å; L366-F385 HydrophobicContact CD2-CZ 4.32Å; L366-F385 HydrophobicContact CG-CE2 4.09Å; L366-F385 HydrophobicContact CG-CZ 4.32Å; L366-V745 HydrophobicContact CD1-CB 4.43Å; L366-V745 HydrophobicContact CD1-CG1 3.63Å; L366-V745 HydrophobicContact CD1-CG2 3.82Å
367	C	92.1	Very high	87.6	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.02	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-44.2	174.9	179.2	0	0	0	0	112	K363 V364 G365 R371 C388	K363-C367 WeakPolarHBondContact O-CB 3.44Å; K363-C367 PolarHBondContact O-N 3.31Å; V364-C367 WeakPolarHBondContact O-CB 3.28Å; V364-C367 PolarHBondContact O-N 2.84Å; G365-C367 VanDerWaalsContact C-N 3.3Å; G365-C367 PolarHBondContact O-N 3.49Å; C367-R371 WeakPolarHBondContact O-CG 3.15Å; C367-R371 PolarHBondContact O-N 2.96Å; C367-C388 PolarHBondContact SG-O 2.66Å; C367-C388 VanDerWaalsContact SG-O 3.39Å
368	K	90.5	Very high	87.3	Confident	82 Å²	82	49.4 Å²	49.4	36%	0.357	23%	0.23	S	C	.	.	H	α-helix	trans	-68.7	-40.5	179.9	-71.3	-168.3	178.7	-151.8	0	113.4	V364 G365 I390 E393	V364-K368 HydrophobicContact CG1-CD 4.43Å; V364-K368 WeakPolarHBondContact O-CG 3.13Å; V364-K368 PolarHBondContact O-N 3.01Å; G365-K368 PolarHBondContact O-N 2.99Å; K368-I390 HydrophobicContact CD-CD1 4.24Å; K368-I390 VanDerWaalsContact CE-CD1 3.4Å; K368-I390 HydrophobicContact CG-CD1 3.73Å; K368-E393 WeakPolarHBondContact CE-OE1 3.11Å; K368-E393 IonicContact NZ-OE1 3.71Å; K368-E393 PolarHBondContact NZ-OE1 2.86Å; K368-E393 IonicContact NZ-OE2 2.87Å
369	Q	90	Very high	87.1	Confident	11 Å²	11	50.5 Å²	50.5	5%	0.051	24%	0.236	C	C	.	.	H	α-helix	trans	-68.3	-44.4	178.3	-69.6	157.8	-36.5	0	0	111.6	G365 R371 Q372 I373 S749 S752	G365-Q369 WeakPolarHBondContact O-CG 3.16Å; G365-Q369 PolarHBondContact O-N 2.92Å; G365-Q369 PolarHBondContact O-OE1 3.31Å; Q369-R371 PolarHBondContact O-N 2.83Å; Q369-Q372 CarbonylContact O-C 3.49Å; Q369-Q372 WeakPolarHBondContact O-CA 3.26Å; Q369-Q372 PolarHBondContact O-N 3.5Å; Q369-I373 PolarHBondContact O-N 3.07Å; Q369-S749 PolarHBondContact NE2-OG 3.12Å; Q369-S752 PolarHBondContact NE2-OG 3.39Å
370	L	92.1	Very high	87.1	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-22.4	179.5	-77.1	176.4	0	0	0	113.8	L366 I373 A381 F384 F385 V745	L366-L370 HydrophobicContact CD1-CD1 3.88Å; L366-L370 HydrophobicContact CD1-CG 4.23Å; L366-L370 HydrophobicContact CG-CD1 4.06Å; L366-L370 WeakPolarHBondContact O-CB 3.18Å; L366-L370 WeakPolarHBondContact O-CG 3.5Å; L366-L370 PolarHBondContact O-N 2.71Å; L370-I373 HydrophobicContact CD2-CD1 3.58Å; L370-I373 WeakPolarHBondContact O-CB 3.29Å; L370-I373 WeakPolarHBondContact O-CG2 3.15Å; L370-A381 HydrophobicContact CB-CB 3.97Å; L370-A381 HydrophobicContact CD2-CB 4.17Å; L370-F384 HydrophobicContact CD2-CE2 3.96Å; L370-F384 HydrophobicContact CD2-CZ 3.79Å; L370-F385 HydrophobicContact CD1-CB 3.83Å; L370-F385 HydrophobicContact CD1-CD1 3.59Å; L370-F385 HydrophobicContact CD1-CD2 3.58Å; L370-F385 HydrophobicContact CD1-CE1 3.94Å; L370-F385 HydrophobicContact CD1-CE2 3.95Å; L370-F385 HydrophobicContact CD1-CG 3.38Å; L370-F385 HydrophobicContact CD1-CZ 4.11Å; L370-V745 HydrophobicContact CD1-CG2 4.32Å; L370-V745 HydrophobicContact CD2-CG2 3.76Å; L370-V745 HydrophobicContact CG-CG2 4.23Å
371	R	88.2	Confident	87.1	Confident	107 Å²	107	51.6 Å²	51.6	40%	0.404	24%	0.242	S	C	.	.	H	α-helix	trans	-71.6	-30.3	168.9	-70.7	168.2	-177.7	-162.5	-1.1	113.4	C367 Q369 I373 C388 D396	C367-R371 WeakPolarHBondContact O-CG 3.15Å; C367-R371 PolarHBondContact O-N 2.96Å; Q369-R371 PolarHBondContact O-N 2.83Å; R371-I373 VanDerWaalsContact C-N 3.33Å; R371-C388 PolarHBondContact NH2-O 2.79Å; R371-D396 IonicContact CZ-OD1 3.82Å; R371-D396 IonicContact CZ-OD2 3.19Å; R371-D396 VanDerWaalsContact CZ-OD2 3.23Å; R371-D396 VanDerWaalsContact NH1-CG 3.26Å; R371-D396 IonicContact NH1-OD1 2.74Å; R371-D396 PolarHBondContact NH1-OD1 2.91Å; R371-D396 IonicContact NH1-OD2 2.77Å; R371-D396 PolarHBondContact NH1-OD2 2.88Å; R371-D396 IonicContact NH2-OD1 3.86Å; R371-D396 IonicContact NH2-OD2 3.47Å; R371-D396 PolarHBondContact NH2-OD2 2.85Å
372	Q	83.3	Confident	87.2	Confident	82 Å²	82	53.4 Å²	53.4	38%	0.383	25%	0.251	S	S	.	.	H	α-helix	trans	-88.7	-1.3	179.1	-63.6	178.4	-0.2	0	0	112.6	Q369 R374 W375 F376	Q369-Q372 CarbonylContact O-C 3.49Å; Q369-Q372 WeakPolarHBondContact O-CA 3.26Å; Q369-Q372 PolarHBondContact O-N 3.5Å; Q372-R374 PolarHBondContact O-N 3.23Å; Q372-W375 HydrophobicContact CB-CD2 4.48Å; Q372-W375 HydrophobicContact CB-CE3 4.03Å; Q372-W375 HydrophobicContact CB-CZ3 4.31Å; Q372-W375 HydrophobicContact CG-CE3 4.23Å; Q372-W375 HydrophobicContact CG-CH2 4.4Å; Q372-W375 HydrophobicContact CG-CZ3 3.99Å; Q372-W375 WeakPolarHBondContact O-CB 3.29Å; Q372-W375 PolarHBondContact O-N 3.47Å; Q372-F376 HydrophobicContact CB-CE2 4.19Å; Q372-F376 WeakPolarHBondContact O-CD2 3.43Å
373	I	86.2	Confident	87.4	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-51.9	-35.1	-172.1	-162.3	161	0	0	0	114.2	Q369 L370 R371 W375 F376 A377 A381 F384 N744	Q369-I373 PolarHBondContact O-N 3.07Å; L370-I373 HydrophobicContact CD2-CD1 3.58Å; L370-I373 WeakPolarHBondContact O-CB 3.29Å; L370-I373 WeakPolarHBondContact O-CG2 3.15Å; R371-I373 VanDerWaalsContact C-N 3.33Å; I373-W375 PolarHBondContact O-N 3.31Å; I373-W375 VanDerWaalsContact O-N 3.09Å; I373-F376 PolarHBondContact O-N 2.8Å; I373-A377 PolarHBondContact O-N 3.39Å; I373-A377 VanDerWaalsContact O-O 3.12Å; I373-A381 HydrophobicContact CG2-CB 4.49Å; I373-F384 HydrophobicContact CD1-CE1 4.16Å; I373-F384 HydrophobicContact CD1-CZ 3.7Å; I373-N744 HydrophobicContact CD1-CB 3.78Å
374	R	82.4	Confident	87.7	Confident	160 Å²	160	54.7 Å²	54.7	60%	0.604	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-62.1	-13.8	177.8	-67.6	-174.6	-176.7	-179.4	3.1	114.6	Q372 A377	Q372-R374 PolarHBondContact O-N 3.23Å; R374-A377 WeakPolarHBondContact CA-O 3.37Å
375	W	80.9	Confident	88.1	Confident	194 Å²	194	54.6 Å²	54.6	74%	0.735	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-84.1	-14.9	171.9	-59.6	-15.2	0	0	0	113	Q372 I373	Q372-W375 HydrophobicContact CB-CD2 4.48Å; Q372-W375 HydrophobicContact CB-CE3 4.03Å; Q372-W375 HydrophobicContact CB-CZ3 4.31Å; Q372-W375 HydrophobicContact CG-CE3 4.23Å; Q372-W375 HydrophobicContact CG-CH2 4.4Å; Q372-W375 HydrophobicContact CG-CZ3 3.99Å; Q372-W375 WeakPolarHBondContact O-CB 3.29Å; Q372-W375 PolarHBondContact O-N 3.47Å; I373-W375 PolarHBondContact O-N 3.31Å; I373-W375 VanDerWaalsContact O-N 3.09Å
376	F	81.1	Confident	88.4	Confident	62 Å²	62	54.1 Å²	54.1	27%	0.272	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-26.5	-171.1	-55.2	-78.8	0	0	0	113.5	Q372 I373 E751	Q372-F376 HydrophobicContact CB-CE2 4.19Å; Q372-F376 WeakPolarHBondContact O-CD2 3.43Å; I373-F376 PolarHBondContact O-N 2.8Å; F376-E751 HydrophobicContact CE1-CG 4.03Å; F376-E751 HydrophobicContact CZ-CG 4.17Å
377	A	75.5	Confident	88.6	Confident	21 Å²	21	55.5 Å²	55.5	17%	0.174	25%	0.251	C	S	.	.	S	Bend	trans	-148.5	143.3	176	0	0	0	0	0	110.4	I373 R374 C379	I373-A377 PolarHBondContact O-N 3.39Å; I373-A377 VanDerWaalsContact O-O 3.12Å; R374-A377 WeakPolarHBondContact CA-O 3.37Å; A377-C379 PolarHBondContact O-N 3.48Å
378	D	81.1	Confident	88.7	Confident	169 Å²	169	55.9 Å²	55.9	90%	0.904	25%	0.253	S	S	*	.	S	Bend	trans	-79.3	75.2	174.5	-171	16.9	0	0	0	110.5
379	C	83.8	Confident	88.9	Confident	34 Å²	34	53.2 Å²	53.2	23%	0.23	24%	0.242	C	C	.	.	S	Bend	trans	-151.7	165.7	176.9	66.6	0	0	0	0	111.2	A377	A377-C379 PolarHBondContact O-N 3.48Å
380	N	88.9	Confident	88.9	Confident	39 Å²	39	52.7 Å²	52.7	21%	0.209	24%	0.239	C	C	.	.			trans	-111.9	131.9	169.8	-174.3	16.2	0	0	0	109.8	D382 Y383	N380-D382 PolarHBondContact ND2-OD2 3.04Å; N380-D382 PolarHBondContact O-N 3.14Å; N380-D382 PolarHBondContact OD1-N 2.88Å; N380-D382 PolarHBondContact OD1-OD2 3.25Å; N380-Y383 HydrophobicContact CB-CD2 3.95Å; N380-Y383 HydrophobicContact CB-CE2 4.07Å; N380-Y383 PolarHBondContact O-N 3.08Å
381	A	93.6	Very high	88.7	Confident	8 Å²	8	52.5 Å²	52.5	7%	0.066	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-57.6	-31.7	177.7	0	0	0	0	0	112.2	L370 I373 Y383 F384 F385	L370-A381 HydrophobicContact CB-CB 3.97Å; L370-A381 HydrophobicContact CD2-CB 4.17Å; I373-A381 HydrophobicContact CG2-CB 4.49Å; A381-Y383 PolarHBondContact O-N 3.45Å; A381-F384 PolarHBondContact O-N 2.94Å; A381-F385 PolarHBondContact O-N 3.03Å
382	D	93.4	Very high	88.3	Confident	54 Å²	54	50.3 Å²	50.3	29%	0.289	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-58.6	-16.8	-177	-62.1	-41.5	0	0	0	115.1	N380 P581 Q582 W777	N380-D382 PolarHBondContact ND2-OD2 3.04Å; N380-D382 PolarHBondContact O-N 3.14Å; N380-D382 PolarHBondContact OD1-N 2.88Å; N380-D382 PolarHBondContact OD1-OD2 3.25Å; D382-P581 HydrophobicContact CB-CB 4.26Å; D382-P581 HydrophobicContact CB-CG 4.12Å; D382-Q582 WeakPolarHBondContact O-CG 3.48Å; D382-Q582 PolarHBondContact O-NE2 3.22Å; D382-Q582 VanDerWaalsContact O-NE2 3.11Å; D382-Q582 PolarHBondContact OD1-NE2 3.37Å; D382-W777 WeakPolarHBondContact O-CH2 3.13Å; D382-W777 VanDerWaalsContact O-CZ3 3.24Å; D382-W777 WeakPolarHBondContact O-CZ3 3.39Å
383	Y	93	Very high	88.4	Confident	68 Å²	68	48.9 Å²	48.9	27%	0.267	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-80.6	-17.2	176	-73.7	-92.5	0	0	0	114.2	N380 A381 P581 R775 Y1084	N380-Y383 HydrophobicContact CB-CD2 3.95Å; N380-Y383 HydrophobicContact CB-CE2 4.07Å; N380-Y383 PolarHBondContact O-N 3.08Å; A381-Y383 PolarHBondContact O-N 3.45Å; Y383-P581 HydrophobicContact CD1-CB 3.93Å; Y383-P581 HydrophobicContact CD1-CG 4.29Å; Y383-P581 HydrophobicContact CD2-CB 4.23Å; Y383-P581 HydrophobicContact CD2-CG 4.02Å; Y383-P581 HydrophobicContact CE1-CB 4Å; Y383-P581 HydrophobicContact CE1-CG 3.98Å; Y383-P581 HydrophobicContact CE2-CB 4.3Å; Y383-P581 HydrophobicContact CE2-CG 3.67Å; Y383-P581 HydrophobicContact CG-CB 4.04Å; Y383-P581 HydrophobicContact CG-CG 4.31Å; Y383-R775 WeakPolarHBondContact O-CD 3.48Å; Y383-Y1084 AromaticContact CE1-CD2 4Å; Y383-Y1084 HydrophobicContact CE1-CD2 4Å; Y383-Y1084 HydrophobicContact CE1-CE1 4.48Å; Y383-Y1084 AromaticContact CE1-CE2 3.64Å; Y383-Y1084 HydrophobicContact CE1-CE2 3.64Å; Y383-Y1084 AromaticContact CE1-CZ 3.92Å; Y383-Y1084 AromaticContact CZ-CE2 3.98Å; Y383-Y1084 AromaticContact CZ-CZ 3.85Å; Y383-Y1084 PolarHBondContact OH-OH 2.75Å
384	F	94.6	Very high	88.4	Confident	18 Å²	18	53.6 Å²	53.6	8%	0.079	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.5	-3.6	-174.8	70.2	-94.7	0	0	0	114.5	L370 I373 A381 A741 N744 I776 W777 L778	L370-F384 HydrophobicContact CD2-CE2 3.96Å; L370-F384 HydrophobicContact CD2-CZ 3.79Å; I373-F384 HydrophobicContact CD1-CE1 4.16Å; I373-F384 HydrophobicContact CD1-CZ 3.7Å; A381-F384 PolarHBondContact O-N 2.94Å; F384-A741 HydrophobicContact CB-CB 4.3Å; F384-A741 HydrophobicContact CD2-CB 3.5Å; F384-A741 VanDerWaalsContact CD2-CB 3.5Å; F384-A741 HydrophobicContact CE2-CB 4.03Å; F384-A741 HydrophobicContact CG-CB 4.06Å; F384-N744 HydrophobicContact CE1-CB 4.4Å; F384-N744 HydrophobicContact CZ-CB 3.9Å; F384-I776 HydrophobicContact CB-CD1 4.15Å; F384-W777 CarbonylContact O-C 3.45Å; F384-W777 WeakPolarHBondContact O-CA 3.35Å; F384-L778 PolarHBondContact O-N 3.47Å
385	F	96.5	Very high	88.6	Confident	13 Å²	13	48 Å²	48	6%	0.057	24%	0.235	C	C	.	.	S	Bend	trans	-133.8	122.4	177.2	-178.6	-103.8	0	0	0	109.3	L366 L370 A381 R387 C388 Q582 L778	L366-F385 HydrophobicContact CD2-CE2 3.76Å; L366-F385 HydrophobicContact CD2-CZ 4.32Å; L366-F385 HydrophobicContact CG-CE2 4.09Å; L366-F385 HydrophobicContact CG-CZ 4.32Å; L370-F385 HydrophobicContact CD1-CB 3.83Å; L370-F385 HydrophobicContact CD1-CD1 3.59Å; L370-F385 HydrophobicContact CD1-CD2 3.58Å; L370-F385 HydrophobicContact CD1-CE1 3.94Å; L370-F385 HydrophobicContact CD1-CE2 3.95Å; L370-F385 HydrophobicContact CD1-CG 3.38Å; L370-F385 HydrophobicContact CD1-CZ 4.11Å; A381-F385 PolarHBondContact O-N 3.03Å; F385-R387 PolarHBondContact O-N 3.45Å; F385-C388 HydrophobicContact CE1-CB 3.72Å; F385-C388 HydrophobicContact CZ-CB 4.25Å; F385-Q582 PolarHBondContact O-NE2 2.79Å; F385-Q582 VanDerWaalsContact O-NE2 3.17Å; F385-L778 HydrophobicContact CD2-CB 4.38Å; F385-L778 HydrophobicContact CD2-CG 4.46Å; F385-L778 VanDerWaalsContact CD2-O 3.22Å; F385-L778 WeakPolarHBondContact CD2-O 3.43Å
386	P	97	Very high	89.1	Confident	1 Å²	1	39 Å²	39	1%	0.006	20%	0.201	C	C	.	.			trans	-60.7	134.5	177.8	-24.7	35.8	0	0	0	111.4	M585 Q632 I635 W777 L778 I779	P386-M585 HydrophobicContact CB-CE 4.07Å; P386-M585 HydrophobicContact CB-SD 4.43Å; P386-M585 HydrophobicContact CG-CE 4.45Å; P386-M585 HydrophobicContact CG-SD 4.41Å; P386-Q632 HydrophobicContact CB-CG 3.82Å; P386-Q632 WeakPolarHBondContact O-CG 3.29Å; P386-Q632 PolarHBondContact O-NE2 2.88Å; P386-I635 HydrophobicContact CG-CD1 3.95Å; P386-I635 HydrophobicContact CG-CG1 4.13Å; P386-W777 HydrophobicContact CG-CB 4.23Å; P386-W777 HydrophobicContact CG-CD2 4.45Å; P386-W777 HydrophobicContact CG-CE3 4.01Å; P386-L778 VanDerWaalsContact CD-O 3.32Å; P386-L778 WeakPolarHBondContact CD-O 3.5Å; P386-I779 HydrophobicContact CG-CD1 4.14Å
387	R	95.9	Very high	89.5	Confident	32 Å²	32	39.9 Å²	39.9	12%	0.121	20%	0.203	C	C	.	.			trans	-58.9	142	-172.2	68.2	-164.7	178.6	-90.8	12	112.4	F385 F389 D403 T407 D586 W592 Q632 K633	F385-R387 PolarHBondContact O-N 3.45Å; R387-F389 HydrophobicContact CG-CE2 4.34Å; R387-D403 WeakPolarHBondContact CD-OD2 3.24Å; R387-D403 IonicContact CZ-OD1 2.7Å; R387-D403 IonicContact NE-OD1 2.69Å; R387-D403 PolarHBondContact NE-OD1 3.4Å; R387-D403 IonicContact NE-OD2 3.04Å; R387-D403 PolarHBondContact NE-OD2 3.46Å; R387-D403 IonicContact NH2-OD1 3.9Å; R387-D403 PolarHBondContact NH2-OD1 3.22Å; R387-T407 PolarHBondContact NH2-OG1 3.16Å; R387-D586 IonicContact CZ-OD1 2.93Å; R387-D586 IonicContact CZ-OD2 2.7Å; R387-D586 VanDerWaalsContact NH1-CG 3.32Å; R387-D586 IonicContact NH1-OD1 2.68Å; R387-D586 PolarHBondContact NH1-OD1 3.24Å; R387-D586 IonicContact NH1-OD2 3.16Å; R387-D586 PolarHBondContact NH1-OD2 2.73Å; R387-D586 VanDerWaalsContact NH1-OD2 3.14Å; R387-D586 IonicContact NH2-OD1 3.83Å; R387-D586 PolarHBondContact NH2-OD1 2.88Å; R387-D586 IonicContact NH2-OD2 3.35Å; R387-D586 PolarHBondContact NH2-OD2 2.94Å; R387-W592 HydrophobicContact CG-CH2 4.09Å; R387-W592 HydrophobicContact CG-CZ3 4.35Å; R387-Q632 CarbonylContact O-C 3.59Å; R387-Q632 VanDerWaalsContact O-CA 3.32Å; R387-Q632 WeakPolarHBondContact O-CA 3.46Å; R387-K633 HydrophobicContact CG-CB 4.06Å; R387-K633 PolarHBondContact O-N 3.01Å
388	C	94.9	Very high	90.3	Very high	10 Å²	10	42.7 Å²	42.7	7%	0.068	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	134.3	-160.6	-175.4	0	0	0	0	112.1	C367 R371 F385 I630 V631 Q632	C367-C388 PolarHBondContact SG-O 2.66Å; C367-C388 VanDerWaalsContact SG-O 3.39Å; R371-C388 PolarHBondContact NH2-O 2.79Å; F385-C388 HydrophobicContact CE1-CB 3.72Å; F385-C388 HydrophobicContact CZ-CB 4.25Å; C388-I630 WeakPolarHBondContact SG-CD1 3.38Å; C388-V631 CarbonylContact C-O 3.44Å; C388-V631 VanDerWaalsContact CA-O 3.29Å; C388-V631 WeakPolarHBondContact CA-O 3.46Å; C388-Q632 HydrophobicContact CB-CB 4.32Å; C388-Q632 HydrophobicContact CB-CG 4.28Å
389	F	94	Very high	90.9	Very high	27 Å²	27	36.3 Å²	36.3	12%	0.118	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.5	-174.8	-55.4	-85.3	0	0	0	111.4	R387 F400 D403 W592 I630 V631	R387-F389 HydrophobicContact CG-CE2 4.34Å; F389-F400 HydrophobicContact CB-CB 3.85Å; F389-F400 HydrophobicContact CD1-CB 4.26Å; F389-F400 HydrophobicContact CD2-CB 3.84Å; F389-F400 HydrophobicContact CD2-CD2 4.12Å; F389-F400 HydrophobicContact CD2-CG 4.43Å; F389-F400 HydrophobicContact CE2-CB 4.46Å; F389-F400 HydrophobicContact CG-CB 3.72Å; F389-D403 HydrophobicContact CE2-CB 4.07Å; F389-D403 HydrophobicContact CZ-CB 3.93Å; F389-D403 WeakPolarHBondContact CZ-OD2 3.46Å; F389-W592 HydrophobicContact CD2-CH2 4.39Å; F389-W592 AromaticContact CD2-CZ3 3.95Å; F389-W592 HydrophobicContact CD2-CZ3 3.95Å; F389-W592 AromaticContact CE2-CH2 3.88Å; F389-W592 HydrophobicContact CE2-CH2 3.88Å; F389-W592 AromaticContact CE2-CZ3 3.87Å; F389-W592 HydrophobicContact CE2-CZ3 3.87Å; F389-I630 CarbonylContact O-C 3.59Å; F389-I630 WeakPolarHBondContact O-CA 3.25Å; F389-I630 WeakPolarHBondContact O-CB 3.16Å; F389-V631 HydrophobicContact CB-CG2 4.17Å; F389-V631 PolarHBondContact N-O 2.8Å; F389-V631 PolarHBondContact O-N 2.7Å
390	I	91.3	Very high	91.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	89.4	-177.4	-54.7	163.1	0	0	0	107.2	V364 K368 S392 E393 D396 I630	V364-I390 HydrophobicContact CG1-CD1 4.05Å; K368-I390 HydrophobicContact CD-CD1 4.24Å; K368-I390 VanDerWaalsContact CE-CD1 3.4Å; K368-I390 HydrophobicContact CG-CD1 3.73Å; I390-S392 PolarHBondContact O-N 3.32Å; I390-E393 HydrophobicContact CG2-CG 4.34Å; I390-E393 PolarHBondContact O-N 3Å; I390-D396 PolarHBondContact N-OD2 2.91Å; I390-D396 VanDerWaalsContact O-CB 3.26Å; I390-D396 WeakPolarHBondContact O-CB 3.4Å; I390-I630 HydrophobicContact CG1-CG2 4.01Å
391	I	87.3	Confident	91.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-12.4	-167.5	-31.1	174.2	0	0	0	113.3	E393 R397 I614 V618 Y629 V631	I391-E393 PolarHBondContact O-N 3.29Å; I391-R397 HydrophobicContact CG2-CB 3.62Å; I391-R397 HydrophobicContact CG2-CG 3.52Å; I391-I614 HydrophobicContact CD1-CG2 3.91Å; I391-V618 HydrophobicContact CB-CG1 4.49Å; I391-V618 HydrophobicContact CB-CG2 3.82Å; I391-V618 HydrophobicContact CD1-CG2 3.76Å; I391-V618 HydrophobicContact CG1-CG2 4.38Å; I391-V618 HydrophobicContact CG2-CB 4.47Å; I391-V618 HydrophobicContact CG2-CG1 4.31Å; I391-V618 HydrophobicContact CG2-CG2 3.82Å; I391-Y629 PolarHBondContact N-O 2.87Å; I391-Y629 VanDerWaalsContact N-O 3.16Å; I391-V631 HydrophobicContact CD1-CB 4.18Å; I391-V631 HydrophobicContact CD1-CG1 3.7Å; I391-V631 HydrophobicContact CD1-CG2 3.65Å; I391-V631 HydrophobicContact CG1-CG2 3.72Å
392	S	79.7	Confident	91.8	Very high	61 Å²	61	37.3 Å²	37.3	43%	0.427	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	0.7	169.2	63.4	0	0	0	0	114.2	I390	I390-S392 PolarHBondContact O-N 3.32Å
393	E	85.4	Confident	92	Very high	53 Å²	53	36.2 Å²	36.2	25%	0.248	18%	0.177	C	C	.	.	S	Bend	trans	-114.9	129.3	170.6	-68.9	177.1	-153.8	0	0	108.8	K368 I390 I391 E395 D396 R397 K1014	K368-E393 WeakPolarHBondContact CE-OE1 3.11Å; K368-E393 IonicContact NZ-OE1 3.71Å; K368-E393 PolarHBondContact NZ-OE1 2.86Å; K368-E393 IonicContact NZ-OE2 2.87Å; I390-E393 HydrophobicContact CG2-CG 4.34Å; I390-E393 PolarHBondContact O-N 3Å; I391-E393 PolarHBondContact O-N 3.29Å; E393-E395 PolarHBondContact O-N 3.23Å; E393-D396 HydrophobicContact CB-CB 3.95Å; E393-D396 VanDerWaalsContact O-CB 3.23Å; E393-D396 WeakPolarHBondContact O-CB 3.48Å; E393-D396 PolarHBondContact O-N 3.32Å; E393-R397 PolarHBondContact O-N 2.89Å; E393-K1014 IonicContact OE2-NZ 2.65Å; E393-K1014 PolarHBondContact OE2-NZ 2.98Å
394	E	85.6	Confident	92.2	Very high	101 Å²	101	33 Å²	33	47%	0.472	16%	0.164	S	C	.	.	H	α-helix	trans	-59.9	-51.8	-165	-172.3	56.2	-124.6	0	0	113.3	D396 R397 Q398	E394-D396 PolarHBondContact O-N 2.89Å; E394-R397 VanDerWaalsContact CD-CZ 3.47Å; E394-R397 WeakPolarHBondContact O-CA 3.36Å; E394-R397 VanDerWaalsContact O-CB 3.29Å; E394-R397 WeakPolarHBondContact O-CB 3.42Å; E394-R397 PolarHBondContact O-N 3.07Å; E394-R397 IonicContact OE1-CZ 2.87Å; E394-R397 IonicContact OE1-NE 2.69Å; E394-R397 PolarHBondContact OE1-NE 3.1Å; E394-R397 VanDerWaalsContact OE1-NE 3.16Å; E394-R397 IonicContact OE1-NH2 2.73Å; E394-R397 PolarHBondContact OE1-NH2 3.07Å; E394-R397 IonicContact OE2-CZ 2.66Å; E394-R397 IonicContact OE2-NE 2.75Å; E394-R397 IonicContact OE2-NH1 3.19Å; E394-R397 PolarHBondContact OE2-NH1 3.21Å; E394-R397 IonicContact OE2-NH2 3.23Å; E394-R397 PolarHBondContact OE2-NH2 3.43Å; E394-Q398 PolarHBondContact O-N 3.46Å
395	E	87.6	Confident	92.3	Very high	43 Å²	43	34.3 Å²	34.3	20%	0.201	17%	0.169	C	C	.	.	H	α-helix	trans	-77.6	-15.5	-174.4	-28.4	97.4	129.1	0	0	111.6	E393 S399 S1013 K1014 Y1015	E393-E395 PolarHBondContact O-N 3.23Å; E395-S399 VanDerWaalsContact O-CB 3.29Å; E395-S399 WeakPolarHBondContact O-CB 3.48Å; E395-S399 PolarHBondContact O-N 3.08Å; E395-S399 PolarHBondContact O-OG 3.43Å; E395-S1013 WeakPolarHBondContact CB-O 3.34Å; E395-K1014 HydrophobicContact CB-CD 4.36Å; E395-K1014 HydrophobicContact CB-CG 4Å; E395-K1014 HydrophobicContact CG-CB 4.39Å; E395-K1014 HydrophobicContact CG-CD 4.49Å; E395-K1014 HydrophobicContact CG-CG 4.2Å; E395-K1014 WeakPolarHBondContact OE1-CA 3.44Å; E395-K1014 WeakPolarHBondContact OE1-CB 3.32Å; E395-K1014 VanDerWaalsContact OE2-CD 3.29Å; E395-K1014 WeakPolarHBondContact OE2-CD 3.29Å; E395-K1014 VanDerWaalsContact OE2-CE 3.28Å; E395-K1014 WeakPolarHBondContact OE2-CE 3.38Å; E395-K1014 IonicContact OE2-NZ 3.09Å; E395-K1014 PolarHBondContact OE2-NZ 3.27Å; E395-Y1015 PolarHBondContact OE1-N 2.99Å; E395-Y1015 VanDerWaalsContact OE1-N 3.14Å
396	D	90.1	Very high	92.3	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-70.8	-41.3	167.2	-106.4	65.7	0	0	0	111.1	R371 I390 E393 E394 S399 F400 K1014	R371-D396 IonicContact CZ-OD1 3.82Å; R371-D396 IonicContact CZ-OD2 3.19Å; R371-D396 VanDerWaalsContact CZ-OD2 3.23Å; R371-D396 VanDerWaalsContact NH1-CG 3.26Å; R371-D396 IonicContact NH1-OD1 2.74Å; R371-D396 PolarHBondContact NH1-OD1 2.91Å; R371-D396 IonicContact NH1-OD2 2.77Å; R371-D396 PolarHBondContact NH1-OD2 2.88Å; R371-D396 IonicContact NH2-OD1 3.86Å; R371-D396 IonicContact NH2-OD2 3.47Å; R371-D396 PolarHBondContact NH2-OD2 2.85Å; I390-D396 PolarHBondContact N-OD2 2.91Å; I390-D396 VanDerWaalsContact O-CB 3.26Å; I390-D396 WeakPolarHBondContact O-CB 3.4Å; E393-D396 HydrophobicContact CB-CB 3.95Å; E393-D396 VanDerWaalsContact O-CB 3.23Å; E393-D396 WeakPolarHBondContact O-CB 3.48Å; E393-D396 PolarHBondContact O-N 3.32Å; E394-D396 PolarHBondContact O-N 2.89Å; D396-S399 PolarHBondContact O-N 3.17Å; D396-F400 WeakPolarHBondContact O-CB 3.43Å; D396-F400 PolarHBondContact O-N 2.79Å; D396-K1014 WeakPolarHBondContact OD1-CE 3.5Å; D396-K1014 IonicContact OD1-NZ 2.66Å; D396-K1014 PolarHBondContact OD1-NZ 3.13Å
397	R	91.5	Very high	92.3	Very high	81 Å²	81	35.8 Å²	35.8	31%	0.306	18%	0.177	S	C	.	.	H	α-helix	trans	-62.4	-44.6	172.2	178.4	173.1	77.3	-156.4	15.9	111	I391 E393 E394 F400 I401 L615	I391-R397 HydrophobicContact CG2-CB 3.62Å; I391-R397 HydrophobicContact CG2-CG 3.52Å; E393-R397 PolarHBondContact O-N 2.89Å; E394-R397 VanDerWaalsContact CD-CZ 3.47Å; E394-R397 WeakPolarHBondContact O-CA 3.36Å; E394-R397 VanDerWaalsContact O-CB 3.29Å; E394-R397 WeakPolarHBondContact O-CB 3.42Å; E394-R397 PolarHBondContact O-N 3.07Å; E394-R397 IonicContact OE1-CZ 2.87Å; E394-R397 IonicContact OE1-NE 2.69Å; E394-R397 PolarHBondContact OE1-NE 3.1Å; E394-R397 VanDerWaalsContact OE1-NE 3.16Å; E394-R397 IonicContact OE1-NH2 2.73Å; E394-R397 PolarHBondContact OE1-NH2 3.07Å; E394-R397 IonicContact OE2-CZ 2.66Å; E394-R397 IonicContact OE2-NE 2.75Å; E394-R397 IonicContact OE2-NH1 3.19Å; E394-R397 PolarHBondContact OE2-NH1 3.21Å; E394-R397 IonicContact OE2-NH2 3.23Å; E394-R397 PolarHBondContact OE2-NH2 3.43Å; R397-F400 PolarHBondContact O-N 3.41Å; R397-I401 HydrophobicContact CG-CD1 4.03Å; R397-I401 WeakPolarHBondContact O-CG1 3.39Å; R397-I401 PolarHBondContact O-N 3.36Å; R397-L615 HydrophobicContact CG-CD2 4.13Å
398	Q	92	Very high	92.4	Very high	81 Å²	81	34.2 Å²	34.2	38%	0.379	17%	0.171	S	C	.	.	H	α-helix	trans	-66.5	-39.6	176.3	-169.6	56.6	46	0	0	112.4	E394 F400 I401 N402	E394-Q398 PolarHBondContact O-N 3.46Å; Q398-F400 VanDerWaalsContact C-N 3.33Å; Q398-F400 PolarHBondContact O-N 3.47Å; Q398-I401 PolarHBondContact O-N 3.14Å; Q398-N402 PolarHBondContact NE2-OD1 2.95Å; Q398-N402 VanDerWaalsContact O-CG 3.28Å; Q398-N402 PolarHBondContact O-N 3.3Å; Q398-N402 PolarHBondContact O-OD1 3.14Å
399	S	93.3	Very high	92.5	Very high	35 Å²	35	33.8 Å²	33.8	25%	0.245	17%	0.168	C	C	.	.	H	α-helix	trans	-59.6	-43.6	173.2	-62.8	0	0	0	0	111.7	E395 D396 N402 D403	E395-S399 VanDerWaalsContact O-CB 3.29Å; E395-S399 WeakPolarHBondContact O-CB 3.48Å; E395-S399 PolarHBondContact O-N 3.08Å; E395-S399 PolarHBondContact O-OG 3.43Å; D396-S399 PolarHBondContact O-N 3.17Å; S399-N402 PolarHBondContact O-N 2.92Å; S399-D403 WeakPolarHBondContact O-CB 3.24Å; S399-D403 PolarHBondContact O-N 2.81Å
400	F	95.3	Very high	92.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.8	-43.7	174.4	162.6	-111.9	0	0	0	112.8	F389 D396 R397 Q398 N402 D403 F404 W592 L611 I614 L615 V631	F389-F400 HydrophobicContact CB-CB 3.85Å; F389-F400 HydrophobicContact CD1-CB 4.26Å; F389-F400 HydrophobicContact CD2-CB 3.84Å; F389-F400 HydrophobicContact CD2-CD2 4.12Å; F389-F400 HydrophobicContact CD2-CG 4.43Å; F389-F400 HydrophobicContact CE2-CB 4.46Å; F389-F400 HydrophobicContact CG-CB 3.72Å; D396-F400 WeakPolarHBondContact O-CB 3.43Å; D396-F400 PolarHBondContact O-N 2.79Å; R397-F400 PolarHBondContact O-N 3.41Å; Q398-F400 VanDerWaalsContact C-N 3.33Å; Q398-F400 PolarHBondContact O-N 3.47Å; F400-N402 VanDerWaalsContact C-N 3.3Å; F400-N402 PolarHBondContact O-N 2.99Å; F400-D403 PolarHBondContact O-N 2.85Å; F400-F404 HydrophobicContact CE2-CB 4.21Å; F400-F404 HydrophobicContact CE2-CD2 4.1Å; F400-F404 HydrophobicContact CZ-CB 4.41Å; F400-F404 HydrophobicContact CZ-CD2 4Å; F400-F404 WeakPolarHBondContact O-CB 3.38Å; F400-F404 PolarHBondContact O-N 3.16Å; F400-W592 HydrophobicContact CD2-CD2 4.32Å; F400-W592 HydrophobicContact CD2-CE3 4.09Å; F400-W592 HydrophobicContact CD2-CH2 4.34Å; F400-W592 HydrophobicContact CD2-CZ3 4.11Å; F400-W592 AromaticContact CE2-CD2 3.66Å; F400-W592 HydrophobicContact CE2-CD2 3.66Å; F400-W592 AromaticContact CE2-CE2 3.92Å; F400-W592 AromaticContact CE2-CE3 3.83Å; F400-W592 HydrophobicContact CE2-CE3 3.83Å; F400-W592 HydrophobicContact CE2-CG 4.04Å; F400-W592 HydrophobicContact CE2-CZ2 4.35Å; F400-W592 HydrophobicContact CE2-CZ3 4.27Å; F400-L611 HydrophobicContact CD1-CD1 4.39Å; F400-L611 HydrophobicContact CE1-CD1 3.52Å; F400-L611 HydrophobicContact CZ-CD1 3.77Å; F400-I614 HydrophobicContact CE1-CB 4.37Å; F400-I614 HydrophobicContact CE1-CG2 3.61Å; F400-I614 HydrophobicContact CZ-CB 4.25Å; F400-I614 HydrophobicContact CZ-CD1 3.83Å; F400-I614 HydrophobicContact CZ-CG2 3.65Å; F400-L615 HydrophobicContact CE1-CD2 4.34Å; F400-V631 HydrophobicContact CB-CG2 4.48Å; F400-V631 HydrophobicContact CD1-CG2 4.19Å; F400-V631 HydrophobicContact CD2-CG2 3.59Å; F400-V631 HydrophobicContact CE1-CG2 4.41Å; F400-V631 HydrophobicContact CE2-CG2 3.85Å; F400-V631 HydrophobicContact CG-CG2 3.79Å; F400-V631 HydrophobicContact CZ-CG2 4.27Å
401	I	95.3	Very high	92.9	Very high	18 Å²	18	32.7 Å²	32.7	9%	0.092	16%	0.164	C	C	.	.	H	α-helix	trans	-59	-44.2	176.6	-72.9	162.5	0	0	0	110.5	R397 Q398 R405 L611 L615	R397-I401 HydrophobicContact CG-CD1 4.03Å; R397-I401 WeakPolarHBondContact O-CG1 3.39Å; R397-I401 PolarHBondContact O-N 3.36Å; Q398-I401 PolarHBondContact O-N 3.14Å; I401-R405 VanDerWaalsContact O-CB 3.32Å; I401-R405 WeakPolarHBondContact O-CB 3.43Å; I401-R405 WeakPolarHBondContact O-CD 3.35Å; I401-R405 VanDerWaalsContact O-CG 3.25Å; I401-R405 WeakPolarHBondContact O-CG 3.39Å; I401-R405 PolarHBondContact O-N 2.72Å; I401-L611 HydrophobicContact CG1-CD1 4.21Å; I401-L611 HydrophobicContact CG2-CD2 4.34Å; I401-L615 HydrophobicContact CD1-CD1 4.23Å; I401-L615 HydrophobicContact CD1-CD2 4.24Å; I401-L615 HydrophobicContact CG1-CD1 4.31Å; I401-L615 HydrophobicContact CG1-CD2 4.28Å
402	N	94.7	Very high	93.3	Very high	84 Å²	84	32.7 Å²	32.7	45%	0.449	16%	0.163	S	C	.	.	H	α-helix	trans	-66.8	-40.3	177.8	-66.9	-6.2	0	0	0	112	Q398 S399 F400 R405 L406	Q398-N402 PolarHBondContact NE2-OD1 2.95Å; Q398-N402 VanDerWaalsContact O-CG 3.28Å; Q398-N402 PolarHBondContact O-N 3.3Å; Q398-N402 PolarHBondContact O-OD1 3.14Å; S399-N402 PolarHBondContact O-N 2.92Å; F400-N402 VanDerWaalsContact C-N 3.3Å; F400-N402 PolarHBondContact O-N 2.99Å; N402-R405 PolarHBondContact O-N 3.02Å; N402-L406 VanDerWaalsContact O-CB 3.32Å; N402-L406 WeakPolarHBondContact O-CB 3.39Å; N402-L406 PolarHBondContact O-N 3.45Å
403	D	96.1	Very high	94.1	Very high	30 Å²	30	29.8 Å²	29.8	16%	0.16	14%	0.143	C	C	.	.	H	α-helix	trans	-65.1	-45.2	175.8	-166.6	-55.2	0	0	0	112	R387 F389 S399 F400 R405 L406 T407 W592	R387-D403 WeakPolarHBondContact CD-OD2 3.24Å; R387-D403 IonicContact CZ-OD1 2.7Å; R387-D403 IonicContact NE-OD1 2.69Å; R387-D403 PolarHBondContact NE-OD1 3.4Å; R387-D403 IonicContact NE-OD2 3.04Å; R387-D403 PolarHBondContact NE-OD2 3.46Å; R387-D403 IonicContact NH2-OD1 3.9Å; R387-D403 PolarHBondContact NH2-OD1 3.22Å; F389-D403 HydrophobicContact CE2-CB 4.07Å; F389-D403 HydrophobicContact CZ-CB 3.93Å; F389-D403 WeakPolarHBondContact CZ-OD2 3.46Å; S399-D403 WeakPolarHBondContact O-CB 3.24Å; S399-D403 PolarHBondContact O-N 2.81Å; F400-D403 PolarHBondContact O-N 2.85Å; D403-R405 VanDerWaalsContact C-N 3.34Å; D403-R405 PolarHBondContact O-N 3.29Å; D403-L406 PolarHBondContact O-N 2.7Å; D403-T407 VanDerWaalsContact O-CB 3.24Å; D403-T407 WeakPolarHBondContact O-CB 3.1Å; D403-T407 PolarHBondContact O-N 2.86Å; D403-T407 PolarHBondContact O-OG1 3.4Å; D403-T407 PolarHBondContact OD1-OG1 3.07Å; D403-T407 VanDerWaalsContact OD1-OG1 3.09Å; D403-W592 HydrophobicContact CB-CH2 4.39Å; D403-W592 WeakPolarHBondContact OD1-CH2 3.34Å; D403-W592 WeakPolarHBondContact OD1-CZ2 3.29Å
404	F	97.3	Very high	94.6	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.4	-47.2	175.9	-171.2	-73.5	0	0	0	110.8	F400 T407 A408 L546 Y550 N590 W592 L611 I614	F400-F404 HydrophobicContact CE2-CB 4.21Å; F400-F404 HydrophobicContact CE2-CD2 4.1Å; F400-F404 HydrophobicContact CZ-CB 4.41Å; F400-F404 HydrophobicContact CZ-CD2 4Å; F400-F404 WeakPolarHBondContact O-CB 3.38Å; F400-F404 PolarHBondContact O-N 3.16Å; F404-T407 PolarHBondContact O-N 2.88Å; F404-A408 PolarHBondContact O-N 2.88Å; F404-A408 VanDerWaalsContact O-N 3.08Å; F404-L546 HydrophobicContact CD1-CD2 4.18Å; F404-L546 HydrophobicContact CE1-CD2 3.99Å; F404-Y550 HydrophobicContact CE1-CE1 4.33Å; F404-Y550 VanDerWaalsContact CE1-OH 3.23Å; F404-Y550 WeakPolarHBondContact CE1-OH 3.12Å; F404-Y550 HydrophobicContact CZ-CE1 4.26Å; F404-Y550 WeakPolarHBondContact CZ-OH 3.37Å; F404-N590 WeakPolarHBondContact CE1-ND2 3.45Å; F404-N590 PolarHBondContact O-ND2 2.93Å; F404-W592 AromaticContact CD2-CD1 3.51Å; F404-W592 HydrophobicContact CD2-CG 4.45Å; F404-W592 AromaticContact CD2-NE1 3.36Å; F404-W592 AromaticContact CE2-CD1 3.61Å; F404-W592 AromaticContact CE2-NE1 3.82Å; F404-L611 HydrophobicContact CB-CD1 4.18Å; F404-L611 HydrophobicContact CD1-CB 3.93Å; F404-L611 HydrophobicContact CD1-CD1 4.41Å; F404-L611 HydrophobicContact CD1-CD2 4.34Å; F404-L611 HydrophobicContact CD1-CG 4.46Å; F404-L611 HydrophobicContact CD2-CB 4.44Å; F404-L611 HydrophobicContact CD2-CD1 4.25Å; F404-L611 HydrophobicContact CE1-CB 3.88Å; F404-L611 HydrophobicContact CE2-CB 4.37Å; F404-L611 HydrophobicContact CG-CB 4.26Å; F404-L611 HydrophobicContact CG-CD1 4.01Å; F404-L611 HydrophobicContact CZ-CB 4.12Å; F404-I614 HydrophobicContact CD2-CD1 4.44Å; F404-I614 HydrophobicContact CE2-CD1 4.16Å
405	R	97.1	Very high	95	Very high	47 Å²	47	24.3 Å²	24.3	18%	0.177	12%	0.118	C	C	.	.	H	α-helix	trans	-59.9	-51	177.6	-81.3	171.8	174.1	-175.4	-3.4	112	I401 N402 D403 T407 A408 C409 W542 D543 L546	I401-R405 VanDerWaalsContact O-CB 3.32Å; I401-R405 WeakPolarHBondContact O-CB 3.43Å; I401-R405 WeakPolarHBondContact O-CD 3.35Å; I401-R405 VanDerWaalsContact O-CG 3.25Å; I401-R405 WeakPolarHBondContact O-CG 3.39Å; I401-R405 PolarHBondContact O-N 2.72Å; N402-R405 PolarHBondContact O-N 3.02Å; D403-R405 VanDerWaalsContact C-N 3.34Å; D403-R405 PolarHBondContact O-N 3.29Å; R405-T407 VanDerWaalsContact C-N 3.35Å; R405-T407 PolarHBondContact O-N 3.12Å; R405-A408 WeakPolarHBondContact O-CB 3.32Å; R405-A408 PolarHBondContact O-N 3.08Å; R405-C409 PolarHBondContact O-N 2.98Å; R405-C409 PolarHBondContact O-SG 3.22Å; R405-W542 HydrophobicContact CB-CD2 4.31Å; R405-W542 HydrophobicContact CB-CE3 3.71Å; R405-W542 HydrophobicContact CB-CH2 3.92Å; R405-W542 HydrophobicContact CB-CZ2 4.49Å; R405-W542 HydrophobicContact CB-CZ3 3.5Å; R405-W542 HydrophobicContact CG-CD2 3.98Å; R405-W542 HydrophobicContact CG-CE3 3.56Å; R405-W542 HydrophobicContact CG-CZ3 3.93Å; R405-D543 IonicContact NH2-OD1 3.5Å; R405-L546 HydrophobicContact CG-CD1 4.29Å
406	L	96.2	Very high	95.4	Very high	40 Å²	40	22.2 Å²	22.2	21%	0.209	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-39.9	176.6	176.9	61.5	0	0	0	112.3	N402 D403 A408 C409 L410 F519	N402-L406 VanDerWaalsContact O-CB 3.32Å; N402-L406 WeakPolarHBondContact O-CB 3.39Å; N402-L406 PolarHBondContact O-N 3.45Å; D403-L406 PolarHBondContact O-N 2.7Å; L406-A408 VanDerWaalsContact C-N 3.28Å; L406-A408 PolarHBondContact O-N 3.22Å; L406-C409 WeakPolarHBondContact O-CB 3.45Å; L406-C409 PolarHBondContact O-N 3.36Å; L406-L410 HydrophobicContact CD1-CD1 3.52Å; L406-L410 HydrophobicContact CG-CD1 3.79Å; L406-L410 WeakPolarHBondContact O-CD1 3.48Å; L406-L410 PolarHBondContact O-N 3.38Å; L406-F519 HydrophobicContact CD1-CB 4.1Å; L406-F519 HydrophobicContact CD1-CG 4.42Å; L406-F519 HydrophobicContact CD2-CB 4.47Å; L406-F519 HydrophobicContact CD2-CD2 3.4Å; L406-F519 HydrophobicContact CD2-CE2 3.78Å; L406-F519 HydrophobicContact CD2-CG 4.08Å
407	T	97.7	Very high	95.6	Very high	4 Å²	4	22.3 Å²	22.3	3%	0.025	11%	0.109	C	C	.	.	H	α-helix	trans	-64.6	-31.8	178.2	-58.3	0	0	0	0	111.9	R387 D403 F404 R405 S411 N590	R387-T407 PolarHBondContact NH2-OG1 3.16Å; D403-T407 VanDerWaalsContact O-CB 3.24Å; D403-T407 WeakPolarHBondContact O-CB 3.1Å; D403-T407 PolarHBondContact O-N 2.86Å; D403-T407 PolarHBondContact O-OG1 3.4Å; D403-T407 PolarHBondContact OD1-OG1 3.07Å; D403-T407 VanDerWaalsContact OD1-OG1 3.09Å; F404-T407 PolarHBondContact O-N 2.88Å; R405-T407 VanDerWaalsContact C-N 3.35Å; R405-T407 PolarHBondContact O-N 3.12Å; T407-S411 WeakPolarHBondContact O-CB 3.3Å; T407-S411 PolarHBondContact O-N 2.93Å; T407-S411 PolarHBondContact O-OG 2.94Å; T407-N590 WeakPolarHBondContact CB-OD1 3.42Å; T407-N590 HydrophobicContact CG2-CB 4.3Å; T407-N590 VanDerWaalsContact CG2-OD1 3.25Å; T407-N590 WeakPolarHBondContact CG2-OD1 3.24Å
408	A	97.8	Very high	95.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67.5	-44.5	170.7	0	0	0	0	0	112.3	F404 R405 L406 L410 S411 I412 F545 L546 Y549 N590	F404-A408 PolarHBondContact O-N 2.88Å; F404-A408 VanDerWaalsContact O-N 3.08Å; R405-A408 WeakPolarHBondContact O-CB 3.32Å; R405-A408 PolarHBondContact O-N 3.08Å; L406-A408 VanDerWaalsContact C-N 3.28Å; L406-A408 PolarHBondContact O-N 3.22Å; A408-L410 PolarHBondContact O-N 2.95Å; A408-S411 WeakPolarHBondContact O-CB 3.48Å; A408-S411 PolarHBondContact O-N 3.07Å; A408-S411 VanDerWaalsContact O-N 3.09Å; A408-I412 PolarHBondContact O-N 3.05Å; A408-I412 VanDerWaalsContact O-N 3.09Å; A408-F545 HydrophobicContact CB-CE1 3.85Å; A408-F545 HydrophobicContact CB-CZ 4.43Å; A408-L546 HydrophobicContact CB-CD2 4.07Å; A408-Y549 HydrophobicContact CB-CD1 3.66Å; A408-Y549 HydrophobicContact CB-CD2 3.87Å; A408-Y549 HydrophobicContact CB-CE1 3.82Å; A408-Y549 HydrophobicContact CB-CE2 4.03Å; A408-Y549 HydrophobicContact CB-CG 3.69Å; A408-N590 PolarHBondContact N-ND2 2.83Å
409	C	97.4	Very high	95.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-57.7	-47.6	172.4	-57.6	0	0	0	0	111.7	R405 L406 S411 I412 V413 Q515 F545	R405-C409 PolarHBondContact O-N 2.98Å; R405-C409 PolarHBondContact O-SG 3.22Å; L406-C409 WeakPolarHBondContact O-CB 3.45Å; L406-C409 PolarHBondContact O-N 3.36Å; C409-S411 PolarHBondContact O-N 2.83Å; C409-I412 PolarHBondContact O-N 2.76Å; C409-V413 WeakPolarHBondContact O-CG2 3.32Å; C409-V413 PolarHBondContact O-N 2.81Å; C409-V413 VanDerWaalsContact O-N 3.11Å; C409-Q515 HydrophobicContact CB-CB 4.18Å; C409-F545 HydrophobicContact CB-CZ 4.31Å; C409-F545 VanDerWaalsContact SG-CE1 3.56Å; C409-F545 WeakPolarHBondContact SG-CZ 3.4Å
410	L	96.6	Very high	93.6	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.026	11%	0.114	C	C	.	.	H	α-helix	trans	-59.6	-34.5	175	-93.2	77.4	0	0	0	112.3	L406 A408 K414 L576 F583	L406-L410 HydrophobicContact CD1-CD1 3.52Å; L406-L410 HydrophobicContact CG-CD1 3.79Å; L406-L410 WeakPolarHBondContact O-CD1 3.48Å; L406-L410 PolarHBondContact O-N 3.38Å; A408-L410 PolarHBondContact O-N 2.95Å; L410-K414 WeakPolarHBondContact O-CB 3.34Å; L410-K414 WeakPolarHBondContact O-CD 3.45Å; L410-K414 WeakPolarHBondContact O-CG 3.21Å; L410-K414 PolarHBondContact O-N 3.25Å; L410-L576 HydrophobicContact CD1-CD2 4.43Å; L410-L576 HydrophobicContact CG-CD1 4.19Å; L410-F583 HydrophobicContact CD2-CD2 3.91Å; L410-F583 HydrophobicContact CD2-CE2 4.03Å
411	S	97.1	Very high	91.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.2	-43	179.3	-62.4	0	0	0	0	111.9	T407 A408 C409 K414 M415 V588	T407-S411 WeakPolarHBondContact O-CB 3.3Å; T407-S411 PolarHBondContact O-N 2.93Å; T407-S411 PolarHBondContact O-OG 2.94Å; A408-S411 WeakPolarHBondContact O-CB 3.48Å; A408-S411 PolarHBondContact O-N 3.07Å; A408-S411 VanDerWaalsContact O-N 3.09Å; C409-S411 PolarHBondContact O-N 2.83Å; S411-K414 PolarHBondContact O-N 3.28Å; S411-M415 WeakPolarHBondContact O-CG 3.21Å; S411-M415 PolarHBondContact O-N 3.35Å; S411-V588 VanDerWaalsContact CB-O 3.32Å; S411-V588 WeakPolarHBondContact CB-O 3.38Å; S411-V588 WeakPolarHBondContact OG-CA 3.5Å; S411-V588 PolarHBondContact OG-O 2.97Å
412	I	96.2	Very high	89	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-46.5	174.2	-66.9	174.8	0	0	0	110.6	A408 C409 K414 M415 I416 I508 S512 F545 Y549 I552 L559	A408-I412 PolarHBondContact O-N 3.05Å; A408-I412 VanDerWaalsContact O-N 3.09Å; C409-I412 PolarHBondContact O-N 2.76Å; I412-K414 VanDerWaalsContact C-N 3.34Å; I412-K414 PolarHBondContact O-N 3.37Å; I412-M415 PolarHBondContact O-N 3.47Å; I412-M415 VanDerWaalsContact O-N 3.12Å; I412-I416 HydrophobicContact CG2-CD1 3.75Å; I412-I416 HydrophobicContact CG2-CG1 4.41Å; I412-I416 WeakPolarHBondContact O-CG1 3.47Å; I412-I416 PolarHBondContact O-N 2.89Å; I412-I508 HydrophobicContact CD1-CG2 4.11Å; I412-S512 WeakPolarHBondContact CD1-OG 3.17Å; I412-F545 HydrophobicContact CD1-CE2 3.83Å; I412-F545 HydrophobicContact CD1-CZ 3.85Å; I412-Y549 HydrophobicContact CD1-CD2 4.12Å; I412-Y549 HydrophobicContact CG1-CD2 3.98Å; I412-I552 HydrophobicContact CD1-CD1 3.81Å; I412-I552 HydrophobicContact CG1-CD1 4.38Å; I412-I552 HydrophobicContact CG1-CG2 4.48Å; I412-L559 HydrophobicContact CG2-CD2 4.28Å
413	V	96	Very high	86.2	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-61.5	-39.6	177.3	175.5	0	0	0	0	111.9	C409 A417 I513 C569 L572	C409-V413 WeakPolarHBondContact O-CG2 3.32Å; C409-V413 PolarHBondContact O-N 2.81Å; C409-V413 VanDerWaalsContact O-N 3.11Å; V413-A417 VanDerWaalsContact O-CB 3.28Å; V413-A417 WeakPolarHBondContact O-CB 3.45Å; V413-A417 PolarHBondContact O-N 3.42Å; V413-I513 HydrophobicContact CG2-CG1 4.09Å; V413-C569 HydrophobicContact CG1-CB 3.98Å; V413-L572 HydrophobicContact CG1-CB 4.37Å; V413-L572 HydrophobicContact CG1-CD2 3.96Å; V413-L572 HydrophobicContact CG1-CG 4.19Å; V413-L572 HydrophobicContact CG2-CD2 4.44Å
414	K	95.5	Very high	83.1	Confident	14 Å²	14	32.9 Å²	32.9	6%	0.061	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-41.2	172.4	-74.8	166.3	-176.2	178.2	0	112.7	L410 S411 I412 A417 N418 F583 G587 V588	L410-K414 WeakPolarHBondContact O-CB 3.34Å; L410-K414 WeakPolarHBondContact O-CD 3.45Å; L410-K414 WeakPolarHBondContact O-CG 3.21Å; L410-K414 PolarHBondContact O-N 3.25Å; S411-K414 PolarHBondContact O-N 3.28Å; I412-K414 VanDerWaalsContact C-N 3.34Å; I412-K414 PolarHBondContact O-N 3.37Å; K414-A417 PolarHBondContact O-N 3.2Å; K414-N418 VanDerWaalsContact O-CG 3.31Å; K414-N418 PolarHBondContact O-N 3.49Å; K414-N418 PolarHBondContact O-ND2 3Å; K414-N418 VanDerWaalsContact O-ND2 3.14Å; K414-F583 HydrophobicContact CD-CE1 4.38Å; K414-F583 HydrophobicContact CD-CZ 4.11Å; K414-F583 VanDerWaalsContact CE-CZ 3.49Å; K414-F583 VanDerWaalsContact CE-O 3.27Å; K414-F583 WeakPolarHBondContact CE-O 3.45Å; K414-F583 HydrophobicContact CG-CE1 4.05Å; K414-F583 HydrophobicContact CG-CE2 4.24Å; K414-F583 HydrophobicContact CG-CZ 3.56Å; K414-F583 PolarHBondContact NZ-O 3.26Å; K414-G587 VanDerWaalsContact CD-O 3.28Å; K414-G587 WeakPolarHBondContact CD-O 3.49Å; K414-G587 PolarHBondContact NZ-O 3.01Å; K414-V588 HydrophobicContact CB-CG1 4.04Å; K414-V588 HydrophobicContact CD-CG1 4.17Å
415	M	94.8	Very high	80	Confident	24 Å²	24	36.9 Å²	36.9	12%	0.118	20%	0.198	C	C	.	.	H	α-helix	trans	-65.7	-47.7	179.8	-69.6	165.3	75.5	0	0	110.6	S411 I412 A417 N418 I552 I553 P556 L559 V588	S411-M415 WeakPolarHBondContact O-CG 3.21Å; S411-M415 PolarHBondContact O-N 3.35Å; I412-M415 PolarHBondContact O-N 3.47Å; I412-M415 VanDerWaalsContact O-N 3.12Å; M415-A417 VanDerWaalsContact C-N 3.32Å; M415-A417 PolarHBondContact O-N 2.92Å; M415-N418 PolarHBondContact O-N 3.3Å; M415-N418 VanDerWaalsContact O-N 3.14Å; M415-I552 HydrophobicContact CE-CG2 3.8Å; M415-I552 HydrophobicContact SD-CG2 4.28Å; M415-I553 HydrophobicContact CE-CD1 4.12Å; M415-I553 HydrophobicContact SD-CD1 3.65Å; M415-P556 HydrophobicContact CE-CB 3.63Å; M415-L559 HydrophobicContact CB-CD1 3.51Å; M415-L559 HydrophobicContact CE-CD1 3.89Å; M415-L559 HydrophobicContact CG-CD1 4.47Å; M415-L559 HydrophobicContact SD-CD1 4.36Å; M415-V588 HydrophobicContact CG-CB 4.27Å; M415-V588 HydrophobicContact CG-CG1 4Å; M415-V588 HydrophobicContact SD-CB 4.33Å
416	I	95.2	Very high	77	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-40.2	176.6	-62.6	168.2	0	0	0	111.4	I412 N418 L419 I509 L559 A562 L565 S566 C569	I412-I416 HydrophobicContact CG2-CD1 3.75Å; I412-I416 HydrophobicContact CG2-CG1 4.41Å; I412-I416 WeakPolarHBondContact O-CG1 3.47Å; I412-I416 PolarHBondContact O-N 2.89Å; I416-N418 PolarHBondContact O-N 3.3Å; I416-L419 HydrophobicContact CB-CD1 4.47Å; I416-L419 HydrophobicContact CG2-CD1 4.33Å; I416-L419 PolarHBondContact O-N 2.85Å; I416-I509 HydrophobicContact CD1-CG1 4.32Å; I416-I509 HydrophobicContact CD1-CG2 3.65Å; I416-L559 HydrophobicContact CD1-CD2 4.15Å; I416-L559 HydrophobicContact CG1-CB 4.49Å; I416-L559 HydrophobicContact CG1-CD1 4.25Å; I416-L559 HydrophobicContact CG1-CD2 3.93Å; I416-L559 HydrophobicContact CG1-CG 4.48Å; I416-A562 HydrophobicContact CD1-CB 3.95Å; I416-A562 HydrophobicContact CG1-CB 4.02Å; I416-A562 HydrophobicContact CG2-CB 4.21Å; I416-A562 WeakPolarHBondContact CG2-O 3.29Å; I416-L565 HydrophobicContact CG2-CB 4.11Å; I416-S566 VanDerWaalsContact O-CB 3.32Å; I416-S566 WeakPolarHBondContact O-CB 3.37Å; I416-S566 PolarHBondContact O-OG 3.04Å; I416-C569 HydrophobicContact CB-CB 4.23Å; I416-C569 HydrophobicContact CG2-CB 4.02Å; I416-C569 VanDerWaalsContact CG2-SG 3.54Å
417	A	94	Very high	74	Confident	4 Å²	4	42.6 Å²	42.6	3%	0.033	23%	0.232	C	C	.	.	H	α-helix	trans	-59.9	-27.2	177.3	0	0	0	0	0	113.8	V413 K414 M415 C569 Q570	V413-A417 VanDerWaalsContact O-CB 3.28Å; V413-A417 WeakPolarHBondContact O-CB 3.45Å; V413-A417 PolarHBondContact O-N 3.42Å; K414-A417 PolarHBondContact O-N 3.2Å; M415-A417 VanDerWaalsContact C-N 3.32Å; M415-A417 PolarHBondContact O-N 2.92Å; A417-C569 HydrophobicContact CB-CB 3.9Å; A417-Q570 HydrophobicContact CB-CG 3.84Å; A417-Q570 WeakPolarHBondContact O-CG 3.36Å; A417-Q570 PolarHBondContact O-NE2 3.03Å
418	N	89.6	Confident	70.8	Confident	93 Å²	93	45.8 Å²	45.8	50%	0.497	25%	0.254	S	S	.	.	H	α-helix	trans	-89.6	-10.2	-178	-65.3	-27.4	0	0	0	114	K414 M415 I416 I420 S421	K414-N418 VanDerWaalsContact O-CG 3.31Å; K414-N418 PolarHBondContact O-N 3.49Å; K414-N418 PolarHBondContact O-ND2 3Å; K414-N418 VanDerWaalsContact O-ND2 3.14Å; M415-N418 PolarHBondContact O-N 3.3Å; M415-N418 VanDerWaalsContact O-N 3.14Å; I416-N418 PolarHBondContact O-N 3.3Å; N418-I420 PolarHBondContact O-N 2.7Å; N418-S421 WeakPolarHBondContact O-CB 3.28Å; N418-S421 PolarHBondContact O-N 3.17Å
419	L	84.8	Confident	67.8	Low	38 Å²	38	52.9 Å²	52.9	20%	0.199	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.3	-176.6	-60.6	170.1	0	0	0	114.7	I416 L559 K563	I416-L419 HydrophobicContact CB-CD1 4.47Å; I416-L419 HydrophobicContact CG2-CD1 4.33Å; I416-L419 PolarHBondContact O-N 2.85Å; L419-L559 HydrophobicContact CD1-CB 4.2Å; L419-L559 WeakPolarHBondContact CD1-O 3.49Å; L419-K563 HydrophobicContact CB-CG 4.43Å; L419-K563 HydrophobicContact CD1-CB 4.34Å
420	I	60.5	Low	65	Low	68 Å²	68	57 Å²	57	35%	0.349	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-24.5	172.3	-74.1	169.8	0	0	0	111.8	N418 V423 S566	N418-I420 PolarHBondContact O-N 2.7Å; I420-V423 VanDerWaalsContact O-CG2 3.31Å; I420-V423 WeakPolarHBondContact O-CG2 3.32Å; I420-S566 VanDerWaalsContact CD1-CB 3.44Å
421	S	52.3	Low	62.2	Low	84 Å²	84	61.3 Å²	61.3	59%	0.587	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-28.7	-172.1	-61.2	0	0	0	0	114.3	N418 V423	N418-S421 WeakPolarHBondContact O-CB 3.28Å; N418-S421 PolarHBondContact O-N 3.17Å; S421-V423 PolarHBondContact O-N 2.92Å
422	D	42	Very low	59.3	Low	88 Å²	88	71.4 Å²	71.4	47%	0.471	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	4.8	-173.2	-64.1	-37.5	0	0	0	114.7	N424 Q425 L426	D422-N424 PolarHBondContact O-N 3.28Å; D422-Q425 PolarHBondContact O-N 2.95Å; D422-L426 HydrophobicContact CB-CD1 3.68Å; D422-L426 PolarHBondContact O-N 3.32Å
423	V	35.1	Very low	56.5	Low	65 Å²	65	75.1 Å²	75.1	39%	0.394	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-7.1	-176.6	176.7	0	0	0	0	113.6	I420 S421	I420-V423 VanDerWaalsContact O-CG2 3.31Å; I420-V423 WeakPolarHBondContact O-CG2 3.32Å; S421-V423 PolarHBondContact O-N 2.92Å
424	N	32.2	Very low	53.5	Low	115 Å²	115	78.5 Å²	78.5	62%	0.615	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	5.3	173.9	-78.6	-87.2	0	0	0	114.4	D422	D422-N424 PolarHBondContact O-N 3.28Å
425	Q	32.5	Very low	50.7	Low	84 Å²	84	82.1 Å²	82.1	39%	0.393	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.9	-40.8	-177.5	-65	-160.7	-37.4	0	0	115.5	D422 D427 S428 N1176	D422-Q425 PolarHBondContact O-N 2.95Å; Q425-D427 PolarHBondContact O-N 2.89Å; Q425-S428 PolarHBondContact O-N 3.48Å; Q425-S428 PolarHBondContact O-OG 3.09Å; Q425-N1176 PolarHBondContact NE2-ND2 3.38Å; Q425-N1176 PolarHBondContact NE2-OD1 3.07Å; Q425-N1176 PolarHBondContact OE1-ND2 3.49Å
426	L	33.1	Very low	48	Very low	100 Å²	100	89 Å²	89	52%	0.524	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-40.7	-176.3	-95.9	85	0	0	0	113.6	D422 S428 F429 V430	D422-L426 HydrophobicContact CB-CD1 3.68Å; D422-L426 PolarHBondContact O-N 3.32Å; L426-S428 PolarHBondContact O-N 3.23Å; L426-S428 VanDerWaalsContact O-N 3.12Å; L426-F429 PolarHBondContact O-N 3.3Å; L426-V430 PolarHBondContact O-N 3.26Å; L426-V430 VanDerWaalsContact O-N 3.08Å
427	D	34.2	Very low	45.2	Very low	108 Å²	108	94.9 Å²	94.9	58%	0.578	51%	0.506	S	S	*	.	H	α-helix	trans	-61.1	-25.9	-178.1	-58.4	-15.8	0	0	0	112	Q425 V431	Q425-D427 PolarHBondContact O-N 2.89Å; D427-V431 WeakPolarHBondContact O-CB 3.43Å; D427-V431 VanDerWaalsContact O-CG2 3.23Å; D427-V431 WeakPolarHBondContact O-CG2 3.43Å
428	S	29.8	Very low	42.3	Very low	70 Å²	70	99 Å²	99	49%	0.49	53%	0.53	S	S	.	.	H	α-helix	trans	-78	-17.2	174.9	77.5	0	0	0	0	114.4	Q425 L426 R432	Q425-S428 PolarHBondContact O-N 3.48Å; Q425-S428 PolarHBondContact O-OG 3.09Å; L426-S428 PolarHBondContact O-N 3.23Å; L426-S428 VanDerWaalsContact O-N 3.12Å; S428-R432 VanDerWaalsContact O-CD 3.26Å; S428-R432 WeakPolarHBondContact O-CD 3.42Å; S428-R432 VanDerWaalsContact O-CG 3.26Å; S428-R432 WeakPolarHBondContact O-CG 3.21Å
429	F	34.4	Very low	39.5	Very low	149 Å²	149	104 Å²	104	65%	0.654	54%	0.543	S	S	*	.	H	α-helix	trans	-98.5	-42.1	-178.2	-165.3	-93.2	0	0	0	111.6	L426 R432 S433	L426-F429 PolarHBondContact O-N 3.3Å; F429-R432 PolarHBondContact O-N 2.88Å; F429-S433 WeakPolarHBondContact O-CB 3.47Å; F429-S433 PolarHBondContact O-N 3.08Å; F429-S433 PolarHBondContact O-OG 3.16Å
430	V	39.1	Very low	36.9	Very low	87 Å²	87	109.9 Å²	109.9	53%	0.527	58%	0.575	S	S	.	*	H	α-helix	trans	-63.3	-47.4	177.6	-179.8	0	0	0	0	110.6	L426 R432 S433 N434	L426-V430 PolarHBondContact O-N 3.26Å; L426-V430 VanDerWaalsContact O-N 3.08Å; V430-R432 PolarHBondContact O-N 2.76Å; V430-R432 VanDerWaalsContact O-N 3.15Å; V430-S433 PolarHBondContact O-N 2.97Å; V430-S433 VanDerWaalsContact O-N 3.09Å; V430-S433 PolarHBondContact O-OG 2.85Å; V430-N434 PolarHBondContact O-N 3.22Å
431	V	37.8	Very low	35.5	Very low	96 Å²	96	115.1 Å²	115.1	58%	0.582	60%	0.6	S	S	*	*	H	α-helix	trans	-63.8	-19.9	176.5	177.1	0	0	0	0	112.9	D427	D427-V431 WeakPolarHBondContact O-CB 3.43Å; D427-V431 VanDerWaalsContact O-CG2 3.23Å; D427-V431 WeakPolarHBondContact O-CG2 3.43Å
432	R	36.9	Very low	34.5	Very low	212 Å²	212	117.1 Å²	117.1	80%	0.8	61%	0.605	S	S	*	*	H	α-helix	trans	-93.8	-14.7	175.4	-78	-176.1	174.8	176.1	-3.2	114.8	S428 F429 V430	S428-R432 VanDerWaalsContact O-CD 3.26Å; S428-R432 WeakPolarHBondContact O-CD 3.42Å; S428-R432 VanDerWaalsContact O-CG 3.26Å; S428-R432 WeakPolarHBondContact O-CG 3.21Å; F429-R432 PolarHBondContact O-N 2.88Å; V430-R432 PolarHBondContact O-N 2.76Å; V430-R432 VanDerWaalsContact O-N 3.15Å
433	S	36.4	Very low	33.9	Very low	77 Å²	77	120.6 Å²	120.6	54%	0.538	62%	0.623	S	S	.	*	H	α-helix	trans	-106	-9.5	-176.8	47.1	0	0	0	0	113.8	F429 V430	F429-S433 WeakPolarHBondContact O-CB 3.47Å; F429-S433 PolarHBondContact O-N 3.08Å; F429-S433 PolarHBondContact O-OG 3.16Å; V430-S433 PolarHBondContact O-N 2.97Å; V430-S433 VanDerWaalsContact O-N 3.09Å; V430-S433 PolarHBondContact O-OG 2.85Å
434	N	33.7	Very low	33.7	Very low	72 Å²	72	124.8 Å²	124.8	39%	0.385	65%	0.648	S	S	.	*			trans	-146.7	88.4	168.1	-156.5	-16.3	0	0	0	112.5	V430 E436 I437	V430-N434 PolarHBondContact O-N 3.22Å; N434-E436 VanDerWaalsContact C-N 3.26Å; N434-E436 PolarHBondContact O-N 3.04Å; N434-I437 HydrophobicContact CB-CD1 4.06Å; N434-I437 HydrophobicContact CB-CG1 4.45Å; N434-I437 WeakPolarHBondContact ND2-CD1 3.37Å
435	P	35.2	Very low	33.6	Very low	91 Å²	91	122.4 Å²	122.4	59%	0.591	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-66.1	-22.7	-176.4	-22.3	34.5	0	0	0	115	I437	P435-I437 PolarHBondContact O-N 3.11Å
436	E	38.2	Very low	33.4	Very low	168 Å²	168	126.3 Å²	126.3	79%	0.785	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-79	-18.3	-168.3	-60.9	-178.3	154.5	0	0	113.1	N434 V438	N434-E436 VanDerWaalsContact C-N 3.26Å; N434-E436 PolarHBondContact O-N 3.04Å; E436-V438 PolarHBondContact O-N 3.29Å
437	I	37.8	Very low	33.2	Very low	124 Å²	124	128.6 Å²	128.6	64%	0.636	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-70.8	-11.7	-179.7	-65	-179.9	0	0	0	112.8	N434 P435 Y439	N434-I437 HydrophobicContact CB-CD1 4.06Å; N434-I437 HydrophobicContact CB-CG1 4.45Å; N434-I437 WeakPolarHBondContact ND2-CD1 3.37Å; P435-I437 PolarHBondContact O-N 3.11Å; I437-Y439 PolarHBondContact O-N 3.38Å
438	V	32.8	Very low	32.9	Very low	89 Å²	89	129.3 Å²	129.3	54%	0.539	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-84.1	-9.4	-171.3	-175.8	0	0	0	0	113.6	E436	E436-V438 PolarHBondContact O-N 3.29Å
439	Y	29.6	Very low	32.9	Very low	198 Å²	198	135.3 Å²	135.3	78%	0.776	71%	0.712	S	S	*	*	S	Bend	trans	-97.1	-15.9	-167.2	-100.9	-85.9	0	0	0	117.5	I437	I437-Y439 PolarHBondContact O-N 3.38Å
440	D	32.1	Very low	32.6	Very low	163 Å²	163	134.7 Å²	134.7	87%	0.872	72%	0.715	S	S	*	*	S	Bend	trans	-105.2	14.1	-166.1	-127.2	-5.6	0	0	0	115.6
441	M	30.5	Very low	32	Very low	177 Å²	177	136.4 Å²	136.4	87%	0.872	73%	0.726	S	S	*	*	S	Bend	trans	-101.8	8.3	-177.8	-84.8	-81	-165	0	0	114.5
442	N	30.5	Very low	31.6	Very low	127 Å²	127	139.1 Å²	139.1	68%	0.679	74%	0.737	S	S	*	*	S	Bend	trans	-112.2	5.8	-165.8	-69.9	-50.5	0	0	0	115.9
443	N	29	Very low	31.1	Very low	160 Å²	160	133 Å²	133	86%	0.856	73%	0.732	S	S	*	*			trans	-143.2	69.4	-171.6	-90.8	-37.5	0	0	0	115.4
444	V	32.7	Very low	30.7	Very low	153 Å²	153	133.6 Å²	133.6	93%	0.927	73%	0.732	S	S	*	*			trans	-140.6	127.2	147.7	-176.2	0	0	0	0	108.3
445	G	29.6	Very low	30.3	Very low	65 Å²	65	139.5 Å²	139.5	67%	0.67	76%	0.755	S	S	*	*			trans	-102.7	152.4	-170.5	0	0	0	0	0	115.8
446	E	28.1	Very low	29.8	Very low	167 Å²	167	141.7 Å²	141.7	78%	0.78	76%	0.761	S	S	*	*			trans	34	109.9	142	-54.4	-167.4	126.1	0	0	120.7
447	T	29.5	Very low	29.3	Very low	148 Å²	148	138.6 Å²	138.6	91%	0.908	76%	0.758	S	S	*	*				-132.6	117.3	123.6	54.3	0	0	0	0	109
448	N	26.9	Very low	28.7	Very low	122 Å²	122	139.2 Å²	139.2	65%	0.652	76%	0.763	S	S	*	*			trans	-86.4	143.8	179.7	-73.6	-67	0	0	0	111.7
449	E	30.6	Very low	28.3	Very low	196 Å²	196	140.2 Å²	140.2	92%	0.916	77%	0.769	S	S	*	*				-155	158.7	124.6	-119.2	175.4	-156.3	0	0	111.7
450	N	27.6	Very low	28.2	Very low	136 Å²	136	137.8 Å²	137.8	73%	0.727	77%	0.769	S	S	*	*			trans	-106.2	158.3	-155.8	-75.3	-78.2	0	0	0	114
451	V	27.4	Very low	27.8	Very low	124 Å²	124	137.8 Å²	137.8	75%	0.752	76%	0.764	S	S	*	*				175.5	114.5	108.7	154.8	0	0	0	0	112.8
452	N	28.8	Very low	27.7	Very low	153 Å²	153	136.8 Å²	136.8	82%	0.818	76%	0.76	S	S	*	*			trans	53.9	124.6	147.8	-61.1	-21.4	0	0	0	122.9
453	A	26.4	Very low	27.6	Very low	83 Å²	83	136.9 Å²	136.9	69%	0.686	76%	0.756	S	S	*	*			trans	-90.7	153.1	180	0	0	0	0	0	115.4	K1058	A453-K1058 PolarHBondContact O-NZ 3.15Å
454	T	27	Very low	27.5	Very low	90 Å²	90	132.9 Å²	132.9	55%	0.552	75%	0.753	S	S	*	*			trans	-128.1	120.3	157.4	-55.1	0	0	0	0	108.7	N456 K1058	T454-N456 PolarHBondContact O-N 2.98Å; T454-K1058 HydrophobicContact CG2-CD 4.13Å; T454-K1058 HydrophobicContact CG2-CG 4.42Å
455	K	25.7	Very low	27.2	Very low	196 Å²	196	130.4 Å²	130.4	85%	0.852	74%	0.743	S	S	*	*			trans	-66	120.4	-178.8	-65.3	176.7	178	178.6	0	109.8
456	N	26	Very low	27.1	Very low	136 Å²	136	131.2 Å²	131.2	73%	0.727	74%	0.736	S	S	*	*			trans	-148.5	63.4	164	-100	-16.3	0	0	0	109.4	T454 N458	T454-N456 PolarHBondContact O-N 2.98Å; N456-N458 VanDerWaalsContact C-N 3.3Å; N456-N458 PolarHBondContact O-N 3.25Å
457	S	25.9	Very low	27	Very low	104 Å²	104	131.1 Å²	131.1	73%	0.727	74%	0.741	S	S	*	*			trans	-71.2	87.8	167.3	50.8	0	0	0	0	108.9	V459	S457-V459 PolarHBondContact O-N 3.46Å
458	N	26.4	Very low	27	Very low	136 Å²	136	130.6 Å²	130.6	73%	0.727	73%	0.731	S	S	*	*			trans	-71.1	68.8	175.3	-76.2	-14.4	0	0	0	110.9	N456 L460	N456-N458 VanDerWaalsContact C-N 3.3Å; N456-N458 PolarHBondContact O-N 3.25Å; N458-L460 PolarHBondContact O-N 3.46Å; N458-L460 VanDerWaalsContact O-N 3.08Å
459	V	24.6	Very low	27.2	Very low	111 Å²	111	130.2 Å²	130.2	67%	0.673	73%	0.729	S	S	*	*			trans	-68.2	100.2	162.8	-176.1	0	0	0	0	106.3	S457 E461	S457-V459 PolarHBondContact O-N 3.46Å; V459-E461 VanDerWaalsContact C-N 3.25Å; V459-E461 HydrophobicContact CG1-CG 4.04Å; V459-E461 PolarHBondContact O-N 3.31Å
460	L	26.3	Very low	27.4	Very low	147 Å²	147	127 Å²	127	77%	0.77	72%	0.718	S	S	*	*			trans	-76.6	81.2	176.3	-78.8	168.6	0	0	0	109.6	N458 I462	N458-L460 PolarHBondContact O-N 3.46Å; N458-L460 VanDerWaalsContact O-N 3.08Å; L460-I462 VanDerWaalsContact C-N 3.28Å; L460-I462 HydrophobicContact CB-CG1 4.4Å; L460-I462 PolarHBondContact O-N 3.47Å
461	E	23.4	Very low	27.6	Very low	163 Å²	163	124.6 Å²	124.6	76%	0.762	71%	0.712	S	S	*	*			trans	-64.9	88.6	163.9	-65.4	-176	143.1	0	0	108.9	V459 E463	V459-E461 VanDerWaalsContact C-N 3.25Å; V459-E461 HydrophobicContact CG1-CG 4.04Å; V459-E461 PolarHBondContact O-N 3.31Å; E461-E463 PolarHBondContact O-N 2.92Å
462	I	30.1	Very low	28	Very low	155 Å²	155	128 Å²	128	80%	0.795	71%	0.711	S	S	*	*			trans	-80.1	71.6	173.2	-52.5	-177.9	0	0	0	108.4	L460	L460-I462 VanDerWaalsContact C-N 3.28Å; L460-I462 HydrophobicContact CB-CG1 4.4Å; L460-I462 PolarHBondContact O-N 3.47Å
463	E	26.8	Very low	28.3	Very low	129 Å²	129	129 Å²	129	60%	0.603	71%	0.711	S	S	*	*			trans	-63	160.7	168.9	-71	-132.5	126.3	0	0	111.7	E461 S465 Q1190	E461-E463 PolarHBondContact O-N 2.92Å; E463-S465 PolarHBondContact O-N 3Å; E463-Q1190 PolarHBondContact OE1-NE2 2.71Å
464	G	27.3	Very low	28.7	Very low	77 Å²	77	131.2 Å²	131.2	79%	0.794	71%	0.711	S	S	*	*			trans	-66.7	125.8	-162.8	0	0	0	0	0	115.5
465	S	26.2	Very low	29.2	Very low	101 Å²	101	129.3 Å²	129.3	71%	0.706	70%	0.701	S	S	*	*			trans	-129	98.9	161.1	-82.9	0	0	0	0	110.6	E463 N467	E463-S465 PolarHBondContact O-N 3Å; S465-N467 PolarHBondContact O-N 3.44Å
466	P	28.1	Very low	29.9	Very low	82 Å²	82	122 Å²	122	53%	0.532	67%	0.671	S	S	.	*			trans	-81.5	59.8	-173.8	34.3	-36.6	0	0	0	112.4
467	N	26.8	Very low	30.3	Very low	164 Å²	164	117.8 Å²	117.8	88%	0.877	65%	0.652	S	S	*	*			trans	-162.4	64.2	170.8	-96.5	-47.4	0	0	0	111.4	S465	S465-N467 PolarHBondContact O-N 3.44Å
468	I	29	Very low	30.8	Very low	138 Å²	138	120.6 Å²	120.6	71%	0.708	65%	0.652	S	S	*	*			trans	-95.5	111.6	165.7	-62.4	-180	0	0	0	108.2	L470	I468-L470 PolarHBondContact O-N 3.04Å; I468-L470 VanDerWaalsContact O-N 3.1Å
469	D	30.5	Very low	31.3	Very low	113 Å²	113	115 Å²	115	60%	0.604	62%	0.622	S	S	*	*			trans	-69.5	103	173.1	-174.3	-9.6	0	0	0	109.9	S471	D469-S471 PolarHBondContact O-N 3.32Å; D469-S471 VanDerWaalsContact O-N 3.11Å; D469-S471 VanDerWaalsContact OD1-CB 3.25Å; D469-S471 WeakPolarHBondContact OD1-CB 3.34Å; D469-S471 PolarHBondContact OD1-N 2.96Å; D469-S471 PolarHBondContact OD1-OG 3.42Å; D469-S471 PolarHBondContact OD2-OG 3.39Å
470	L	35.2	Very low	31.9	Very low	129 Å²	129	113.3 Å²	113.3	68%	0.675	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	7.3	-178.6	-70.7	169.1	0	0	0	113.9	I468 R472	I468-L470 PolarHBondContact O-N 3.04Å; I468-L470 VanDerWaalsContact O-N 3.1Å; L470-R472 VanDerWaalsContact C-N 3.3Å; L470-R472 PolarHBondContact O-N 2.89Å
471	S	32.8	Very low	32.3	Very low	86 Å²	86	113 Å²	113	60%	0.601	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	3.5	175.6	68	0	0	0	0	115	D469	D469-S471 PolarHBondContact O-N 3.32Å; D469-S471 VanDerWaalsContact O-N 3.11Å; D469-S471 VanDerWaalsContact OD1-CB 3.25Å; D469-S471 WeakPolarHBondContact OD1-CB 3.34Å; D469-S471 PolarHBondContact OD1-N 2.96Å; D469-S471 PolarHBondContact OD1-OG 3.42Å; D469-S471 PolarHBondContact OD2-OG 3.39Å
472	R	34.1	Very low	32.9	Very low	196 Å²	196	110.4 Å²	110.4	74%	0.74	60%	0.604	S	S	*	*			trans	-92.3	121.6	178.7	-78.1	-177.7	165.2	-179.3	-4.7	113.2	L470 N474	L470-R472 VanDerWaalsContact C-N 3.3Å; L470-R472 PolarHBondContact O-N 2.89Å; R472-N474 PolarHBondContact O-N 3.05Å
473	E	35.8	Very low	33	Very low	174 Å²	174	106.1 Å²	106.1	81%	0.813	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-61.6	-11.5	-176.4	-64.4	153.4	129.6	0	0	114.8	S475	E473-S475 VanDerWaalsContact C-N 3.33Å; E473-S475 PolarHBondContact O-N 2.63Å
474	N	34.8	Very low	33.1	Very low	129 Å²	129	105.1 Å²	105.1	69%	0.69	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-80.2	1.7	-171.8	-67.5	2.5	0	0	0	115.9	R472 S477	R472-N474 PolarHBondContact O-N 3.05Å; N474-S477 PolarHBondContact O-OG 3.28Å
475	S	37.7	Very low	33.3	Very low	49 Å²	49	107.8 Å²	107.8	34%	0.343	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-92.3	-34.8	-178.5	48.8	0	0	0	0	113.2	E473 F478	E473-S475 VanDerWaalsContact C-N 3.33Å; E473-S475 PolarHBondContact O-N 2.63Å; S475-F478 PolarHBondContact O-N 3.17Å
476	L	40	Very low	33.6	Very low	43 Å²	43	112.6 Å²	112.6	23%	0.225	58%	0.584	C	S	.	*	H	α-helix	trans	-76.3	-28.1	176.1	-76.1	149.3	0	0	0	112.4	F478 L479 N480 E526	L476-F478 VanDerWaalsContact C-N 3.27Å; L476-F478 PolarHBondContact O-N 3.43Å; L476-L479 HydrophobicContact CD2-CD1 4.16Å; L476-L479 PolarHBondContact O-N 3.02Å; L476-N480 PolarHBondContact O-N 2.92Å; L476-N480 PolarHBondContact O-ND2 3.01Å; L476-E526 WeakPolarHBondContact CD1-OE1 3.21Å
477	S	35.9	Very low	33.6	Very low	48 Å²	48	118 Å²	118	34%	0.336	60%	0.599	S	S	.	*	H	α-helix	trans	-65	-30.3	170.5	54.1	0	0	0	0	112.7	N474 N480 N481	N474-S477 PolarHBondContact O-OG 3.28Å; S477-N480 PolarHBondContact O-N 3.28Å; S477-N481 VanDerWaalsContact O-CB 3.26Å; S477-N481 WeakPolarHBondContact O-CB 3.18Å; S477-N481 PolarHBondContact O-N 3.38Å; S477-N481 PolarHBondContact O-ND2 2.81Å
478	F	35.6	Very low	33.7	Very low	162 Å²	162	115.4 Å²	115.4	71%	0.711	59%	0.589	S	S	*	*	H	α-helix	trans	-68.5	-34.8	173.6	-156.3	-87.6	0	0	0	112.3	S475 L476 T482	S475-F478 PolarHBondContact O-N 3.17Å; L476-F478 VanDerWaalsContact C-N 3.27Å; L476-F478 PolarHBondContact O-N 3.43Å; F478-T482 PolarHBondContact O-OG1 3.39Å
479	L	35.8	Very low	33.8	Very low	19 Å²	19	118.9 Å²	118.9	10%	0.099	59%	0.593	C	S	.	*	H	α-helix	trans	-69.4	-39.8	172.9	-71.3	168.7	0	0	0	112.2	L476 H568 Y571 L575	L476-L479 HydrophobicContact CD2-CD1 4.16Å; L476-L479 PolarHBondContact O-N 3.02Å; L479-H568 WeakPolarHBondContact CD2-CE1 3.29Å; L479-Y571 HydrophobicContact CD1-CE1 4.38Å; L479-Y571 HydrophobicContact CD2-CE1 4.32Å; L479-L575 HydrophobicContact CD1-CD1 4.41Å
480	N	38.6	Very low	33.5	Very low	76 Å²	76	121.4 Å²	121.4	41%	0.406	61%	0.607	S	S	.	*	H	α-helix	trans	-77.1	-26.3	-178.6	-69.8	-41.3	0	0	0	113.9	L476 S477	L476-N480 PolarHBondContact O-N 2.92Å; L476-N480 PolarHBondContact O-ND2 3.01Å; S477-N480 PolarHBondContact O-N 3.28Å
481	N	35	Very low	33.5	Very low	139 Å²	139	120.5 Å²	120.5	74%	0.743	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-2.7	-172.5	-76.6	-6.3	0	0	0	115.8	S477	S477-N481 VanDerWaalsContact O-CB 3.26Å; S477-N481 WeakPolarHBondContact O-CB 3.18Å; S477-N481 PolarHBondContact O-N 3.38Å; S477-N481 PolarHBondContact O-ND2 2.81Å
482	T	34.4	Very low	33.2	Very low	110 Å²	110	124 Å²	124	68%	0.675	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	-4.1	-177	-42.7	0	0	0	0	113	F478	F478-T482 PolarHBondContact O-OG1 3.39Å
483	I	33.2	Very low	33.2	Very low	65 Å²	65	122.2 Å²	122.2	33%	0.333	62%	0.618	S	S	.	*			trans	-116.7	102.8	-176.1	-77.1	173.1	0	0	0	110	Y485	I483-Y485 HydrophobicContact CB-CE2 4.27Å; I483-Y485 HydrophobicContact CD1-CE2 4.33Å; I483-Y485 HydrophobicContact CG1-CE2 4.11Å; I483-Y485 HydrophobicContact CG2-CD2 3.56Å; I483-Y485 HydrophobicContact CG2-CE2 3.34Å; I483-Y485 HydrophobicContact CG2-CG 4.4Å
484	S	28.6	Very low	33.1	Very low	107 Å²	107	118.3 Å²	118.3	75%	0.748	62%	0.615	S	S	*	*			trans	-140.8	71	174.2	-161.7	0	0	0	0	109.5	K486	S484-K486 PolarHBondContact O-N 3.33Å
485	Y	31.9	Very low	33.2	Very low	133 Å²	133	116.5 Å²	116.5	52%	0.522	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71	66.2	-170.5	-64.5	-55.3	0	0	0	113.9	I483 E510	I483-Y485 HydrophobicContact CB-CE2 4.27Å; I483-Y485 HydrophobicContact CD1-CE2 4.33Å; I483-Y485 HydrophobicContact CG1-CE2 4.11Å; I483-Y485 HydrophobicContact CG2-CD2 3.56Å; I483-Y485 HydrophobicContact CG2-CE2 3.34Å; I483-Y485 HydrophobicContact CG2-CG 4.4Å; Y485-E510 WeakPolarHBondContact CD1-OE1 3.36Å; Y485-E510 HydrophobicContact CE1-CG 4.5Å; Y485-E510 WeakPolarHBondContact CE1-OE1 3.39Å; Y485-E510 HydrophobicContact CE2-CG 4.26Å; Y485-E510 VanDerWaalsContact CZ-CD 3.4Å; Y485-E510 PolarHBondContact OH-OE1 3Å
486	K	31.9	Very low	33.1	Very low	202 Å²	202	119.6 Å²	119.6	88%	0.878	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.5	16.6	175.2	-121.3	166.4	-170.7	174.5	0	116.2	S484	S484-K486 PolarHBondContact O-N 3.33Å
487	K	28.9	Very low	32.7	Very low	196 Å²	196	123.3 Å²	123.3	85%	0.852	65%	0.652	S	S	*	*	S	Bend	trans	-150.8	2.4	-173.7	-117.9	172.9	-173.8	176.5	0	119
488	V	27.5	Very low	32.8	Very low	110 Å²	110	129.2 Å²	129.2	67%	0.667	68%	0.679	S	S	*	*			trans	-147.8	135.2	172.9	-127.3	0	0	0	0	105.8
489	W	31	Very low	33	Very low	210 Å²	210	129.8 Å²	129.8	80%	0.795	69%	0.689	S	S	*	*			cis	-125.5	146.6	12.4	-67.4	78.8	0	0	0	112.7	I491	W489-I491 HydrophobicContact CE3-CD1 3.55Å; W489-I491 HydrophobicContact CE3-CG1 4.14Å; W489-I491 HydrophobicContact CZ3-CD1 3.82Å
490	N	25.2	Very low	33	Very low	167 Å²	167	133 Å²	133	89%	0.893	71%	0.706	S	S	*	*			trans	-116.2	86	166.5	-134.1	28	0	0	0	107.1
491	I	34	Very low	33.6	Very low	109 Å²	109	134.8 Å²	134.8	56%	0.559	73%	0.725	S	S	*	*			trans	-131.1	113.5	173.2	-65.8	-175.8	0	0	0	107.7	W489 L493	W489-I491 HydrophobicContact CE3-CD1 3.55Å; W489-I491 HydrophobicContact CE3-CG1 4.14Å; W489-I491 HydrophobicContact CZ3-CD1 3.82Å; I491-L493 HydrophobicContact CG2-CD1 4.16Å; I491-L493 HydrophobicContact CG2-CG 4.16Å
492	N	28	Very low	34.9	Very low	160 Å²	160	134.1 Å²	134.1	86%	0.856	72%	0.715	S	S	*	*			trans	-82.3	119.2	168.4	-67.7	-20.4	0	0	0	108.5
493	L	33.6	Very low	36.7	Very low	158 Å²	158	135.8 Å²	135.8	83%	0.827	72%	0.716	S	S	*	*			trans	-122.2	130.8	161.1	-81.9	161.8	0	0	0	107	I491	I491-L493 HydrophobicContact CG2-CD1 4.16Å; I491-L493 HydrophobicContact CG2-CG 4.16Å
494	A	34	Very low	39.1	Very low	92 Å²	92	133 Å²	133	76%	0.76	70%	0.701	S	S	*	*			trans	-76.6	143.2	-173.8	0	0	0	0	0	111
495	P	36.1	Very low	41.9	Very low	91 Å²	91	130.1 Å²	130.1	59%	0.591	68%	0.68	S	S	*	*			trans	-70	130.8	174.5	29	-33.1	0	0	0	110.6
496	S	35.9	Very low	44.5	Very low	115 Å²	115	128.3 Å²	128.3	80%	0.804	68%	0.679	S	S	*	*			trans	-93.4	106.3	158.1	40.4	0	0	0	0	108.2	L498	S496-L498 PolarHBondContact O-N 3.03Å
497	D	32.5	Very low	47.3	Very low	120 Å²	120	122.3 Å²	122.3	64%	0.642	65%	0.654	S	S	*	*	S	Bend	trans	-70	121.3	-170.2	-67.1	-65.9	0	0	0	113.4	N500	D497-N500 PolarHBondContact OD1-ND2 2.76Å
498	L	37.1	Very low	50.3	Low	173 Å²	173	113 Å²	113	91%	0.906	61%	0.614	S	S	*	*	S	Bend	trans	-179.9	-2.4	146.4	-100.6	157.2	0	0	0	114.2	S496	S496-L498 PolarHBondContact O-N 3.03Å
499	L	39.1	Very low	53.4	Low	174 Å²	174	107.8 Å²	107.8	91%	0.911	58%	0.582	S	S	*	*	S	Bend	trans	-125	15.7	177.4	-144.2	83.4	0	0	0	114.4
500	N	37.5	Very low	56.3	Low	87 Å²	87	101 Å²	101	47%	0.465	56%	0.559	S	S	.	*			trans	-77.6	150.1	-162.7	-77.4	-28.8	0	0	0	115.4	D497	D497-N500 PolarHBondContact OD1-ND2 2.76Å
501	S	50.4	Low	59.6	Low	113 Å²	113	93.6 Å²	93.6	79%	0.79	52%	0.519	S	S	*	.	S	Bend	trans	96.4	11.1	155.5	80.1	0	0	0	0	122.4
502	F	61.9	Low	62.5	Low	125 Å²	125	88.4 Å²	88.4	55%	0.548	49%	0.493	S	S	.	.			trans	-122.6	49.3	170.8	-115.7	-79.4	0	0	0	115.5	W548 L558	F502-W548 HydrophobicContact CE1-CH2 4.32Å; F502-W548 HydrophobicContact CE1-CZ3 4.42Å; F502-L558 WeakPolarHBondContact O-CD2 3.46Å
503	E	73.1	Confident	65.7	Low	145 Å²	145	81.1 Å²	81.1	68%	0.678	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-80.2	151.1	167.1	-60.9	-168.5	131.6	0	0	111.6	W548	E503-W548 WeakPolarHBondContact O-CH2 3.33Å
504	I	83.5	Confident	68.6	Low	5 Å²	5	76 Å²	76	3%	0.026	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-76.6	126.8	169.4	-60.9	161.7	0	0	0	107.6	D506 I508 I509 W548 I552 L558 L559	I504-D506 PolarHBondContact O-N 3.17Å; I504-I508 HydrophobicContact CG2-CB 4.01Å; I504-I508 HydrophobicContact CG2-CG1 4.42Å; I504-I508 HydrophobicContact CG2-CG2 4.26Å; I504-I509 HydrophobicContact CG2-CD1 4.16Å; I504-I509 HydrophobicContact CG2-CG1 4.27Å; I504-W548 HydrophobicContact CG1-CZ3 4.49Å; I504-I552 HydrophobicContact CD1-CD1 3.95Å; I504-I552 HydrophobicContact CD1-CG1 3.66Å; I504-I552 HydrophobicContact CG1-CD1 4.29Å; I504-I552 HydrophobicContact CG1-CG1 4.03Å; I504-I552 HydrophobicContact CG2-CD1 4.01Å; I504-L558 HydrophobicContact CD1-CB 3.65Å; I504-L558 HydrophobicContact CG1-CB 3.86Å; I504-L559 HydrophobicContact CD1-CD2 3.51Å; I504-L559 HydrophobicContact CD1-CG 3.85Å
505	P	87.2	Confident	71.4	Confident	47 Å²	47	72.6 Å²	72.6	31%	0.305	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-60.5	129.4	175	-21.8	32.1	0	0	0	110.9	E507 I508 W548	P505-E507 PolarHBondContact O-N 2.98Å; P505-I508 HydrophobicContact CB-CG1 4.33Å; P505-I508 HydrophobicContact CG-CG1 4.5Å; P505-I508 WeakPolarHBondContact O-CB 3.46Å; P505-I508 PolarHBondContact O-N 3.17Å; P505-W548 VanDerWaalsContact CD-CZ2 3.46Å; P505-W548 HydrophobicContact CG-CH2 4.24Å; P505-W548 HydrophobicContact CG-CZ2 3.69Å
506	D	87.2	Confident	74.2	Confident	96 Å²	96	68.2 Å²	68.2	51%	0.513	37%	0.365	S	S	.	.	H	α-helix	trans	-51.9	-35.4	-179.3	-71.6	-47.7	0	0	0	112.5	I504 I508 I509 E510	I504-D506 PolarHBondContact O-N 3.17Å; D506-I508 PolarHBondContact O-N 3.49Å; D506-I509 CarbonylContact O-C 3.58Å; D506-I509 WeakPolarHBondContact O-CA 3.41Å; D506-I509 WeakPolarHBondContact O-CB 3.49Å; D506-I509 PolarHBondContact O-N 3.45Å; D506-E510 WeakPolarHBondContact O-CG 3.24Å; D506-E510 PolarHBondContact O-N 3.27Å
507	E	89.8	Confident	77	Confident	76 Å²	76	63.6 Å²	63.6	36%	0.355	33%	0.33	S	S	.	.	H	α-helix	trans	-43.6	-38.8	171.1	-169.9	-154.6	-125.9	0	0	113.5	P505 F511 Y540 K544	P505-E507 PolarHBondContact O-N 2.98Å; E507-F511 WeakPolarHBondContact O-CB 3.41Å; E507-F511 PolarHBondContact O-N 3Å; E507-Y540 VanDerWaalsContact CD-CE2 3.49Å; E507-Y540 HydrophobicContact CG-CE2 3.83Å; E507-Y540 PolarHBondContact OE2-OH 3.15Å; E507-K544 IonicContact OE1-NZ 2.63Å; E507-K544 PolarHBondContact OE1-NZ 3.32Å; E507-K544 WeakPolarHBondContact OE2-CE 3.42Å; E507-K544 IonicContact OE2-NZ 3.03Å; E507-K544 PolarHBondContact OE2-NZ 2.82Å
508	I	92.6	Very high	79.8	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-70.8	-36.4	178.7	-57.6	-62.2	0	0	0	111.7	I412 I504 P505 D506 S512 Y540 F545 W548 I552	I412-I508 HydrophobicContact CD1-CG2 4.11Å; I504-I508 HydrophobicContact CG2-CB 4.01Å; I504-I508 HydrophobicContact CG2-CG1 4.42Å; I504-I508 HydrophobicContact CG2-CG2 4.26Å; P505-I508 HydrophobicContact CB-CG1 4.33Å; P505-I508 HydrophobicContact CG-CG1 4.5Å; P505-I508 WeakPolarHBondContact O-CB 3.46Å; P505-I508 PolarHBondContact O-N 3.17Å; D506-I508 PolarHBondContact O-N 3.49Å; I508-S512 WeakPolarHBondContact O-CB 3.25Å; I508-S512 PolarHBondContact O-N 3.11Å; I508-S512 VanDerWaalsContact O-N 3.1Å; I508-S512 PolarHBondContact O-OG 3.45Å; I508-Y540 WeakPolarHBondContact CD1-OH 3.27Å; I508-F545 HydrophobicContact CD1-CD2 4.36Å; I508-F545 HydrophobicContact CG2-CD2 4.02Å; I508-F545 HydrophobicContact CG2-CE2 3.96Å; I508-W548 HydrophobicContact CD1-CB 3.91Å; I508-W548 HydrophobicContact CD1-CG 3.86Å; I508-W548 HydrophobicContact CG1-CB 4Å; I508-W548 HydrophobicContact CG1-CD2 4.46Å; I508-W548 HydrophobicContact CG1-CG 3.86Å; I508-W548 HydrophobicContact CG2-CB 4.07Å; I508-I552 HydrophobicContact CG2-CD1 4.02Å
509	I	92.3	Very high	82.4	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-78.1	-46.9	-179.4	-63.6	155	0	0	0	109.7	I416 I504 D506 F511 S512 I513 A562 L565	I416-I509 HydrophobicContact CD1-CG1 4.32Å; I416-I509 HydrophobicContact CD1-CG2 3.65Å; I504-I509 HydrophobicContact CG2-CD1 4.16Å; I504-I509 HydrophobicContact CG2-CG1 4.27Å; D506-I509 CarbonylContact O-C 3.58Å; D506-I509 WeakPolarHBondContact O-CA 3.41Å; D506-I509 WeakPolarHBondContact O-CB 3.49Å; D506-I509 PolarHBondContact O-N 3.45Å; I509-F511 PolarHBondContact O-N 3.06Å; I509-S512 WeakPolarHBondContact O-CB 3.32Å; I509-S512 PolarHBondContact O-N 3.48Å; I509-I513 HydrophobicContact CG2-CD1 4.14Å; I509-I513 WeakPolarHBondContact O-CG1 3.33Å; I509-I513 PolarHBondContact O-N 2.64Å; I509-A562 HydrophobicContact CD1-CB 3.9Å; I509-A562 HydrophobicContact CG2-CB 4.49Å; I509-L565 HydrophobicContact CG2-CD1 3.54Å
510	E	91.6	Very high	85	Confident	66 Å²	66	45.4 Å²	45.4	31%	0.308	23%	0.232	S	C	.	.	H	α-helix	trans	-58.3	-47	173.9	-67	-172.6	165.5	0	0	111.2	Y485 D506 S512 I513 F514	Y485-E510 WeakPolarHBondContact CD1-OE1 3.36Å; Y485-E510 HydrophobicContact CE1-CG 4.5Å; Y485-E510 WeakPolarHBondContact CE1-OE1 3.39Å; Y485-E510 HydrophobicContact CE2-CG 4.26Å; Y485-E510 VanDerWaalsContact CZ-CD 3.4Å; Y485-E510 PolarHBondContact OH-OE1 3Å; D506-E510 WeakPolarHBondContact O-CG 3.24Å; D506-E510 PolarHBondContact O-N 3.27Å; E510-S512 VanDerWaalsContact C-N 3.33Å; E510-S512 PolarHBondContact O-N 2.89Å; E510-I513 PolarHBondContact O-N 2.89Å; E510-F514 VanDerWaalsContact O-CB 3.26Å; E510-F514 WeakPolarHBondContact O-CB 3.14Å; E510-F514 PolarHBondContact O-N 2.88Å
511	F	93.4	Very high	87.5	Confident	13 Å²	13	42.5 Å²	42.5	6%	0.057	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-38.8	175.6	-175.4	-101.9	0	0	0	112.2	E507 I509 F514 Q515 Y540 W542 F545	E507-F511 WeakPolarHBondContact O-CB 3.41Å; E507-F511 PolarHBondContact O-N 3Å; I509-F511 PolarHBondContact O-N 3.06Å; F511-F514 PolarHBondContact O-N 3.36Å; F511-Q515 HydrophobicContact CD1-CG 4.12Å; F511-Q515 HydrophobicContact CD2-CG 4.37Å; F511-Q515 HydrophobicContact CE1-CG 3.89Å; F511-Q515 HydrophobicContact CE2-CG 4.14Å; F511-Q515 HydrophobicContact CG-CG 4.37Å; F511-Q515 HydrophobicContact CZ-CG 3.91Å; F511-Q515 WeakPolarHBondContact O-CB 3.49Å; F511-Q515 VanDerWaalsContact O-CG 3.24Å; F511-Q515 WeakPolarHBondContact O-CG 3.46Å; F511-Q515 PolarHBondContact O-N 3.47Å; F511-Y540 HydrophobicContact CD1-CD1 4.43Å; F511-Y540 HydrophobicContact CD2-CD1 4.31Å; F511-Y540 AromaticContact CD2-CD2 3.88Å; F511-Y540 HydrophobicContact CD2-CD2 3.88Å; F511-Y540 HydrophobicContact CD2-CE2 4.46Å; F511-Y540 AromaticContact CD2-CG 3.81Å; F511-Y540 HydrophobicContact CD2-CG 3.81Å; F511-Y540 HydrophobicContact CE1-CD1 4.01Å; F511-Y540 HydrophobicContact CE1-CG 4.38Å; F511-Y540 AromaticContact CE2-CD1 3.9Å; F511-Y540 HydrophobicContact CE2-CD1 3.9Å; F511-Y540 AromaticContact CE2-CD2 3.97Å; F511-Y540 HydrophobicContact CE2-CD2 3.97Å; F511-Y540 AromaticContact CE2-CG 3.43Å; F511-Y540 HydrophobicContact CE2-CG 3.43Å; F511-Y540 VanDerWaalsContact CE2-CG 3.43Å; F511-Y540 HydrophobicContact CG-CD2 4.46Å; F511-Y540 HydrophobicContact CG-CG 4.42Å; F511-Y540 AromaticContact CZ-CD1 3.71Å; F511-Y540 HydrophobicContact CZ-CD1 3.71Å; F511-Y540 AromaticContact CZ-CG 3.74Å; F511-Y540 HydrophobicContact CZ-CG 3.74Å; F511-W542 HydrophobicContact CE1-CD2 4.27Å; F511-W542 AromaticContact CE1-CE3 3.91Å; F511-W542 HydrophobicContact CE1-CE3 3.91Å; F511-W542 AromaticContact CE1-CH2 3.61Å; F511-W542 HydrophobicContact CE1-CH2 3.61Å; F511-W542 AromaticContact CE1-CZ2 3.98Å; F511-W542 HydrophobicContact CE1-CZ2 3.98Å; F511-W542 AromaticContact CE1-CZ3 3.55Å; F511-W542 HydrophobicContact CE1-CZ3 3.55Å; F511-W542 HydrophobicContact CZ-CD2 4.14Å; F511-W542 AromaticContact CZ-CE2 3.79Å; F511-W542 HydrophobicContact CZ-CE3 4.25Å; F511-W542 AromaticContact CZ-CH2 3.75Å; F511-W542 HydrophobicContact CZ-CH2 3.75Å; F511-W542 AromaticContact CZ-CZ2 3.61Å; F511-W542 HydrophobicContact CZ-CZ2 3.61Å; F511-W542 HydrophobicContact CZ-CZ3 4.05Å; F511-F545 HydrophobicContact CD1-CB 4.49Å; F511-F545 AromaticContact CD1-CD2 3.65Å; F511-F545 HydrophobicContact CD1-CD2 3.65Å; F511-F545 HydrophobicContact CD1-CE2 4.04Å; F511-F545 AromaticContact CD1-CG 3.99Å; F511-F545 HydrophobicContact CD1-CG 3.99Å; F511-F545 HydrophobicContact CE1-CB 4.29Å; F511-F545 HydrophobicContact CE1-CD1 4.36Å; F511-F545 HydrophobicContact CE1-CD2 4.11Å; F511-F545 AromaticContact CE1-CG 3.97Å; F511-F545 HydrophobicContact CE1-CG 3.97Å
512	S	95.3	Very high	89.3	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-43.8	174.9	-63.2	0	0	0	0	112.4	I412 I508 I509 E510 C516 F545	I412-S512 WeakPolarHBondContact CD1-OG 3.17Å; I508-S512 WeakPolarHBondContact O-CB 3.25Å; I508-S512 PolarHBondContact O-N 3.11Å; I508-S512 VanDerWaalsContact O-N 3.1Å; I508-S512 PolarHBondContact O-OG 3.45Å; I509-S512 WeakPolarHBondContact O-CB 3.32Å; I509-S512 PolarHBondContact O-N 3.48Å; E510-S512 VanDerWaalsContact C-N 3.33Å; E510-S512 PolarHBondContact O-N 2.89Å; S512-C516 PolarHBondContact O-N 2.76Å; S512-C516 PolarHBondContact O-SG 2.63Å; S512-F545 VanDerWaalsContact OG-CE2 3.3Å; S512-F545 WeakPolarHBondContact OG-CE2 3.28Å
513	I	95.1	Very high	90.5	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-67.8	-44.8	177.3	-70	169.6	0	0	0	110.4	V413 I509 E510 C516 Q517 L565 H568 L572	V413-I513 HydrophobicContact CG2-CG1 4.09Å; I509-I513 HydrophobicContact CG2-CD1 4.14Å; I509-I513 WeakPolarHBondContact O-CG1 3.33Å; I509-I513 PolarHBondContact O-N 2.64Å; E510-I513 PolarHBondContact O-N 2.89Å; I513-C516 WeakPolarHBondContact O-CB 3.39Å; I513-C516 PolarHBondContact O-N 3.26Å; I513-Q517 HydrophobicContact CG2-CG 4.48Å; I513-Q517 WeakPolarHBondContact O-CG 3.34Å; I513-Q517 PolarHBondContact O-N 2.87Å; I513-L565 HydrophobicContact CD1-CD1 4Å; I513-H568 WeakPolarHBondContact CG2-NE2 3.19Å; I513-L572 HydrophobicContact CB-CD2 4.49Å; I513-L572 HydrophobicContact CG1-CD2 4.47Å; I513-L572 HydrophobicContact CG2-CD2 4.04Å
514	F	94	Very high	91.2	Very high	52 Å²	52	35.2 Å²	35.2	23%	0.228	17%	0.171	C	C	.	.	H	α-helix	trans	-58.9	-50.9	178.2	175.3	-99.2	0	0	0	112	E510 F511 C516 Q517 E518 F536	E510-F514 VanDerWaalsContact O-CB 3.26Å; E510-F514 WeakPolarHBondContact O-CB 3.14Å; E510-F514 PolarHBondContact O-N 2.88Å; F511-F514 PolarHBondContact O-N 3.36Å; F514-C516 VanDerWaalsContact C-N 3.27Å; F514-C516 PolarHBondContact O-N 3.22Å; F514-Q517 CarbonylContact O-C 3.6Å; F514-Q517 WeakPolarHBondContact O-CA 3.32Å; F514-Q517 WeakPolarHBondContact O-CB 3.22Å; F514-Q517 PolarHBondContact O-N 3.03Å; F514-E518 HydrophobicContact CD1-CG 4.16Å; F514-E518 HydrophobicContact CD2-CG 4.26Å; F514-E518 HydrophobicContact CE1-CG 3.6Å; F514-E518 HydrophobicContact CE2-CG 3.71Å; F514-E518 HydrophobicContact CG-CG 4.45Å; F514-E518 HydrophobicContact CZ-CG 3.33Å; F514-E518 PolarHBondContact O-N 2.71Å; F514-F536 HydrophobicContact CD1-CB 4.31Å; F514-F536 HydrophobicContact CE1-CB 3.51Å; F514-F536 HydrophobicContact CE2-CB 4.47Å; F514-F536 HydrophobicContact CZ-CB 3.61Å
515	Q	94.1	Very high	91.3	Very high	19 Å²	19	40.6 Å²	40.6	9%	0.089	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-35.9	178.5	-67.4	-71	-10.9	0	0	112	C409 F511 F519 S537 W542	C409-Q515 HydrophobicContact CB-CB 4.18Å; F511-Q515 HydrophobicContact CD1-CG 4.12Å; F511-Q515 HydrophobicContact CD2-CG 4.37Å; F511-Q515 HydrophobicContact CE1-CG 3.89Å; F511-Q515 HydrophobicContact CE2-CG 4.14Å; F511-Q515 HydrophobicContact CG-CG 4.37Å; F511-Q515 HydrophobicContact CZ-CG 3.91Å; F511-Q515 WeakPolarHBondContact O-CB 3.49Å; F511-Q515 VanDerWaalsContact O-CG 3.24Å; F511-Q515 WeakPolarHBondContact O-CG 3.46Å; F511-Q515 PolarHBondContact O-N 3.47Å; Q515-F519 WeakPolarHBondContact O-CB 3.41Å; Q515-F519 PolarHBondContact O-N 3.05Å; Q515-S537 PolarHBondContact NE2-OG 2.84Å; Q515-S537 PolarHBondContact OE1-OG 3.02Å; Q515-W542 HydrophobicContact CG-CH2 3.93Å; Q515-W542 HydrophobicContact CG-CZ2 4.35Å
516	C	95.1	Very high	91.2	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.7	-36.8	172.1	-70.6	0	0	0	0	112.9	S512 I513 F514 L520 L572 L576	S512-C516 PolarHBondContact O-N 2.76Å; S512-C516 PolarHBondContact O-SG 2.63Å; I513-C516 WeakPolarHBondContact O-CB 3.39Å; I513-C516 PolarHBondContact O-N 3.26Å; F514-C516 VanDerWaalsContact C-N 3.27Å; F514-C516 PolarHBondContact O-N 3.22Å; C516-L520 WeakPolarHBondContact O-CG 3.48Å; C516-L520 PolarHBondContact O-N 2.85Å; C516-L572 HydrophobicContact CB-CD1 4.34Å; C516-L572 HydrophobicContact CB-CD2 3.91Å; C516-L572 HydrophobicContact CB-CG 4.26Å; C516-L576 HydrophobicContact CB-CD1 4.05Å; C516-L576 HydrophobicContact CB-CD2 4.24Å
517	Q	93.8	Very high	90.8	Very high	17 Å²	17	39.2 Å²	39.2	8%	0.079	18%	0.184	C	C	.	.	H	α-helix	trans	-72.1	-44.3	176.3	-71.6	176.5	3.4	0	0	112.2	I513 F514 F519 L520 K521 H568 L572	I513-Q517 HydrophobicContact CG2-CG 4.48Å; I513-Q517 WeakPolarHBondContact O-CG 3.34Å; I513-Q517 PolarHBondContact O-N 2.87Å; F514-Q517 CarbonylContact O-C 3.6Å; F514-Q517 WeakPolarHBondContact O-CA 3.32Å; F514-Q517 WeakPolarHBondContact O-CB 3.22Å; F514-Q517 PolarHBondContact O-N 3.03Å; Q517-F519 VanDerWaalsContact C-N 3.32Å; Q517-F519 PolarHBondContact O-N 2.72Å; Q517-L520 WeakPolarHBondContact O-CB 3.23Å; Q517-L520 PolarHBondContact O-N 3.47Å; Q517-L520 VanDerWaalsContact O-N 3.1Å; Q517-K521 WeakPolarHBondContact O-CG 3.15Å; Q517-K521 PolarHBondContact O-N 3.09Å; Q517-H568 PolarHBondContact NE2-CE1 3.38Å; Q517-H568 PolarHBondContact NE2-NE2 3.03Å; Q517-L572 HydrophobicContact CG-CD1 4.3Å
518	E	91.3	Very high	90.1	Very high	46 Å²	46	41.6 Å²	41.6	22%	0.215	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-39.1	175.7	-67.4	-54.9	113.2	0	0	111.9	F514 L520 K521 T522	F514-E518 HydrophobicContact CD1-CG 4.16Å; F514-E518 HydrophobicContact CD2-CG 4.26Å; F514-E518 HydrophobicContact CE1-CG 3.6Å; F514-E518 HydrophobicContact CE2-CG 3.71Å; F514-E518 HydrophobicContact CG-CG 4.45Å; F514-E518 HydrophobicContact CZ-CG 3.33Å; F514-E518 PolarHBondContact O-N 2.71Å; E518-L520 VanDerWaalsContact C-N 3.34Å; E518-L520 PolarHBondContact O-N 3.48Å; E518-K521 PolarHBondContact O-N 3.45Å; E518-K521 VanDerWaalsContact OE1-CD 3.31Å; E518-K521 WeakPolarHBondContact OE1-CD 3.4Å; E518-K521 WeakPolarHBondContact OE1-CE 3.34Å; E518-K521 IonicContact OE1-NZ 3.92Å; E518-K521 PolarHBondContact OE1-NZ 2.79Å; E518-T522 PolarHBondContact O-N 2.9Å; E518-T522 PolarHBondContact O-OG1 3.47Å
519	F	92.9	Very high	89.3	Confident	33 Å²	33	49.7 Å²	49.7	15%	0.145	24%	0.241	C	C	.	.	H	α-helix	trans	-56.9	-47.2	170	172.3	-93.7	0	0	0	111.5	L406 Q515 Q517 T522 K523 L576 C580	L406-F519 HydrophobicContact CD1-CB 4.1Å; L406-F519 HydrophobicContact CD1-CG 4.42Å; L406-F519 HydrophobicContact CD2-CB 4.47Å; L406-F519 HydrophobicContact CD2-CD2 3.4Å; L406-F519 HydrophobicContact CD2-CE2 3.78Å; L406-F519 HydrophobicContact CD2-CG 4.08Å; Q515-F519 WeakPolarHBondContact O-CB 3.41Å; Q515-F519 PolarHBondContact O-N 3.05Å; Q517-F519 VanDerWaalsContact C-N 3.32Å; Q517-F519 PolarHBondContact O-N 2.72Å; F519-T522 WeakPolarHBondContact O-CB 3.09Å; F519-T522 PolarHBondContact O-N 2.69Å; F519-K523 HydrophobicContact CD1-CG 4.32Å; F519-K523 HydrophobicContact CE1-CG 3.89Å; F519-K523 HydrophobicContact CE2-CD 4.47Å; F519-K523 HydrophobicContact CE2-CG 4.38Å; F519-K523 HydrophobicContact CZ-CD 4.25Å; F519-K523 HydrophobicContact CZ-CG 3.95Å; F519-K523 WeakPolarHBondContact O-CG 3.34Å; F519-K523 PolarHBondContact O-N 2.7Å; F519-K523 VanDerWaalsContact O-N 3.07Å; F519-L576 HydrophobicContact CD1-CD2 3.83Å; F519-L576 HydrophobicContact CE1-CD2 4.25Å; F519-C580 WeakPolarHBondContact CE1-SG 3.31Å; F519-C580 WeakPolarHBondContact CZ-SG 3.01Å
520	L	92.8	Very high	88.2	Confident	7 Å²	7	55.2 Å²	55.2	4%	0.037	27%	0.265	C	S	.	.	H	α-helix	trans	-62.5	-45.1	177.1	-76.1	173.6	0	0	0	112	C516 Q517 E518 T522 K523 Y524 L572 L575 L576 Y579	C516-L520 WeakPolarHBondContact O-CG 3.48Å; C516-L520 PolarHBondContact O-N 2.85Å; Q517-L520 WeakPolarHBondContact O-CB 3.23Å; Q517-L520 PolarHBondContact O-N 3.47Å; Q517-L520 VanDerWaalsContact O-N 3.1Å; E518-L520 VanDerWaalsContact C-N 3.34Å; E518-L520 PolarHBondContact O-N 3.48Å; L520-T522 VanDerWaalsContact C-N 3.26Å; L520-T522 PolarHBondContact O-N 2.89Å; L520-K523 CarbonylContact O-C 3.59Å; L520-K523 WeakPolarHBondContact O-CA 3.34Å; L520-K523 WeakPolarHBondContact O-CB 3.38Å; L520-K523 PolarHBondContact O-N 3.08Å; L520-Y524 HydrophobicContact CB-CD2 4.31Å; L520-Y524 HydrophobicContact CB-CE2 4.23Å; L520-Y524 HydrophobicContact CD2-CE2 4.39Å; L520-Y524 WeakPolarHBondContact O-CD2 3.23Å; L520-Y524 PolarHBondContact O-N 3.42Å; L520-L572 HydrophobicContact CD1-CD1 3.6Å; L520-L575 HydrophobicContact CD1-CB 3.72Å; L520-L575 HydrophobicContact CD1-CD1 4.15Å; L520-L575 HydrophobicContact CD2-CB 4.3Å; L520-L576 HydrophobicContact CD1-CD2 4.31Å; L520-L576 HydrophobicContact CD1-CG 4.35Å; L520-L576 HydrophobicContact CD2-CD2 4.28Å; L520-L576 HydrophobicContact CG-CD2 4.01Å; L520-Y579 HydrophobicContact CD2-CD2 3.78Å; L520-Y579 HydrophobicContact CD2-CE2 4.45Å; L520-Y579 HydrophobicContact CD2-CG 4.46Å
521	K	90.2	Very high	86.5	Confident	26 Å²	26	56.9 Å²	56.9	11%	0.113	29%	0.285	C	S	.	.	H	α-helix	trans	-54.8	-42.6	176.2	-68.3	171.4	-164.4	170.8	0	111.6	Q517 E518 K523 Y524 H525 E526	Q517-K521 WeakPolarHBondContact O-CG 3.15Å; Q517-K521 PolarHBondContact O-N 3.09Å; E518-K521 PolarHBondContact O-N 3.45Å; E518-K521 VanDerWaalsContact OE1-CD 3.31Å; E518-K521 WeakPolarHBondContact OE1-CD 3.4Å; E518-K521 WeakPolarHBondContact OE1-CE 3.34Å; E518-K521 IonicContact OE1-NZ 3.92Å; E518-K521 PolarHBondContact OE1-NZ 2.79Å; K521-K523 VanDerWaalsContact C-N 3.32Å; K521-K523 PolarHBondContact O-N 2.67Å; K521-Y524 CarbonylContact O-C 3.59Å; K521-Y524 PolarHBondContact O-N 3.11Å; K521-H525 PolarHBondContact O-N 3.37Å; K521-E526 HydrophobicContact CB-CB 4.08Å; K521-E526 PolarHBondContact O-N 3.25Å
522	T	88.7	Confident	84.6	Confident	63 Å²	63	62.3 Å²	62.3	39%	0.387	32%	0.324	S	S	.	.	H	α-helix	trans	-63.5	-33.3	173.6	-51.3	0	0	0	0	112.7	E518 F519 L520	E518-T522 PolarHBondContact O-N 2.9Å; E518-T522 PolarHBondContact O-OG1 3.47Å; F519-T522 WeakPolarHBondContact O-CB 3.09Å; F519-T522 PolarHBondContact O-N 2.69Å; L520-T522 VanDerWaalsContact C-N 3.26Å; L520-T522 PolarHBondContact O-N 2.89Å
523	K	87.5	Confident	82.3	Confident	91 Å²	91	70.5 Å²	70.5	40%	0.396	36%	0.36	S	S	.	.	H	α-helix	trans	-80.6	-18.2	174.4	-60.8	-55.4	-179.8	-166.2	0	114	F519 L520 K521 Y579	F519-K523 HydrophobicContact CD1-CG 4.32Å; F519-K523 HydrophobicContact CE1-CG 3.89Å; F519-K523 HydrophobicContact CE2-CD 4.47Å; F519-K523 HydrophobicContact CE2-CG 4.38Å; F519-K523 HydrophobicContact CZ-CD 4.25Å; F519-K523 HydrophobicContact CZ-CG 3.95Å; F519-K523 WeakPolarHBondContact O-CG 3.34Å; F519-K523 PolarHBondContact O-N 2.7Å; F519-K523 VanDerWaalsContact O-N 3.07Å; L520-K523 CarbonylContact O-C 3.59Å; L520-K523 WeakPolarHBondContact O-CA 3.34Å; L520-K523 WeakPolarHBondContact O-CB 3.38Å; L520-K523 PolarHBondContact O-N 3.08Å; K521-K523 VanDerWaalsContact C-N 3.32Å; K521-K523 PolarHBondContact O-N 2.67Å; K523-Y579 HydrophobicContact CB-CD1 3.69Å; K523-Y579 HydrophobicContact CB-CE1 4.24Å; K523-Y579 HydrophobicContact CB-CG 3.96Å; K523-Y579 HydrophobicContact CG-CD1 4.31Å; K523-Y579 HydrophobicContact CG-CG 4.32Å
524	Y	86.4	Confident	79.8	Confident	76 Å²	76	79.3 Å²	79.3	30%	0.298	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-3.1	169.9	-73.5	-68.1	0	0	0	113.3	L520 K521 E526 Y579	L520-Y524 HydrophobicContact CB-CD2 4.31Å; L520-Y524 HydrophobicContact CB-CE2 4.23Å; L520-Y524 HydrophobicContact CD2-CE2 4.39Å; L520-Y524 WeakPolarHBondContact O-CD2 3.23Å; L520-Y524 PolarHBondContact O-N 3.42Å; K521-Y524 CarbonylContact O-C 3.59Å; K521-Y524 PolarHBondContact O-N 3.11Å; Y524-E526 WeakPolarHBondContact CB-OE1 3.47Å; Y524-E526 PolarHBondContact O-N 2.66Å; Y524-Y579 HydrophobicContact CE1-CE2 4.16Å; Y524-Y579 AromaticContact CE1-CZ 3.87Å; Y524-Y579 WeakPolarHBondContact CE1-OH 3.44Å; Y524-Y579 HydrophobicContact CE2-CE2 4.24Å; Y524-Y579 AromaticContact CZ-CE2 3.74Å; Y524-Y579 AromaticContact CZ-CZ 3.95Å
525	H	86	Confident	77.4	Confident	118 Å²	118	79.7 Å²	79.7	55%	0.546	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	22.6	-175.6	-56.4	-48	0	0	0	114.6	K521 D527 L528	K521-H525 PolarHBondContact O-N 3.37Å; H525-D527 VanDerWaalsContact CA-OD1 3.32Å; H525-D527 WeakPolarHBondContact CA-OD1 3.47Å; H525-D527 PolarHBondContact O-N 3.4Å; H525-L528 HydrophobicContact CB-CD1 3.81Å; H525-L528 HydrophobicContact CB-CG 4.04Å; H525-L528 PolarHBondContact O-N 3.25Å
526	E	84.1	Confident	75.2	Confident	54 Å²	54	86.4 Å²	86.4	25%	0.252	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-1.6	174	-64.8	174.1	-128.2	0	0	113	L476 K521 Y524 K530	L476-E526 WeakPolarHBondContact CD1-OE1 3.21Å; K521-E526 HydrophobicContact CB-CB 4.08Å; K521-E526 PolarHBondContact O-N 3.25Å; Y524-E526 WeakPolarHBondContact CB-OE1 3.47Å; Y524-E526 PolarHBondContact O-N 2.66Å; E526-K530 WeakPolarHBondContact O-CD 3.14Å; E526-K530 WeakPolarHBondContact O-CE 3.37Å; E526-K530 PolarHBondContact O-NZ 3.02Å
527	D	79.6	Confident	73.2	Confident	60 Å²	60	88 Å²	88	32%	0.321	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-24.5	176.9	60.9	-44.1	0	0	0	113.2	H525 D529 K530	H525-D527 VanDerWaalsContact CA-OD1 3.32Å; H525-D527 WeakPolarHBondContact CA-OD1 3.47Å; H525-D527 PolarHBondContact O-N 3.4Å; D527-D529 VanDerWaalsContact C-N 3.35Å; D527-D529 PolarHBondContact O-N 2.91Å; D527-K530 WeakPolarHBondContact O-CB 3.5Å; D527-K530 PolarHBondContact O-N 2.94Å
528	L	75.4	Confident	71.2	Confident	126 Å²	126	92 Å²	92	66%	0.66	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-38.4	-170.5	-65.1	-177.2	0	0	0	114.8	H525	H525-L528 HydrophobicContact CB-CD1 3.81Å; H525-L528 HydrophobicContact CB-CG 4.04Å; H525-L528 PolarHBondContact O-N 3.25Å
529	D	76.5	Confident	69.7	Low	169 Å²	169	98.5 Å²	98.5	90%	0.904	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-0.8	-179.2	-70.3	-40.2	0	0	0	113.1	D527	D527-D529 VanDerWaalsContact C-N 3.35Å; D527-D529 PolarHBondContact O-N 2.91Å
530	K	68.1	Low	68.9	Low	117 Å²	117	98.2 Å²	98.2	51%	0.509	51%	0.508	S	S	.	.	S	Bend	trans	-90	121.7	-178.9	-67.7	176.3	-178.6	137.6	0	110.5	E526 D527 S532	E526-K530 WeakPolarHBondContact O-CD 3.14Å; E526-K530 WeakPolarHBondContact O-CE 3.37Å; E526-K530 PolarHBondContact O-NZ 3.02Å; D527-K530 WeakPolarHBondContact O-CB 3.5Å; D527-K530 PolarHBondContact O-N 2.94Å; K530-S532 PolarHBondContact O-N 3Å
531	S	55.8	Low	68.5	Low	102 Å²	102	101.2 Å²	101.2	71%	0.713	53%	0.528	S	S	*	.			trans	-57.9	130.3	167.5	61.1	0	0	0	0	109.9	K533	S531-K533 PolarHBondContact O-N 3.39Å
532	S	53.7	Low	68.7	Low	127 Å²	127	101.4 Å²	101.4	89%	0.888	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	16.3	-168.2	53.8	0	0	0	0	117	K530	K530-S532 PolarHBondContact O-N 3Å
533	K	46.8	Very low	68.8	Low	172 Å²	172	103.9 Å²	103.9	75%	0.748	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-13.8	-167.8	-71.7	-165.7	169.9	-169.9	0	116.4	S531	S531-K533 PolarHBondContact O-N 3.39Å
534	H	42.5	Very low	69	Low	190 Å²	190	103.6 Å²	103.6	88%	0.88	54%	0.538	S	S	*	.			trans	-138.8	99.6	177.3	-68.3	-60.6	0	0	0	112.5
535	S	44.9	Very low	69.4	Low	60 Å²	60	100 Å²	100	42%	0.42	52%	0.524	S	S	.	.			trans	-128.5	138.3	152.8	71.4	0	0	0	0	108.8	S537 S538	S535-S537 PolarHBondContact O-N 2.72Å; S535-S538 PolarHBondContact O-N 3.15Å; S535-S538 PolarHBondContact O-OG 3.13Å; S535-S538 VanDerWaalsContact O-OG 3.1Å
536	F	46.9	Very low	69.9	Low	160 Å²	160	94.5 Å²	94.5	70%	0.702	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-8.4	178.3	-116.1	-94.7	0	0	0	113.4	F514 S538	F514-F536 HydrophobicContact CD1-CB 4.31Å; F514-F536 HydrophobicContact CE1-CB 3.51Å; F514-F536 HydrophobicContact CE2-CB 4.47Å; F514-F536 HydrophobicContact CZ-CB 3.61Å; F536-S538 VanDerWaalsContact C-N 3.34Å; F536-S538 PolarHBondContact O-N 2.76Å
537	S	52.9	Low	70.4	Confident	35 Å²	35	94.7 Å²	94.7	25%	0.245	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-16.4	-175.5	-155.8	0	0	0	0	114.2	Q515 S535 W542	Q515-S537 PolarHBondContact NE2-OG 2.84Å; Q515-S537 PolarHBondContact OE1-OG 3.02Å; S535-S537 PolarHBondContact O-N 2.72Å; S537-W542 PolarHBondContact O-NE1 2.93Å
538	S	52.6	Low	71.1	Confident	100 Å²	100	94 Å²	94	70%	0.699	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-29	-173.8	53.4	0	0	0	0	114.7	S535 F536	S535-S538 PolarHBondContact O-N 3.15Å; S535-S538 PolarHBondContact O-OG 3.13Å; S535-S538 VanDerWaalsContact O-OG 3.1Å; F536-S538 VanDerWaalsContact C-N 3.34Å; F536-S538 PolarHBondContact O-N 2.76Å
539	E	60.4	Low	72.1	Confident	182 Å²	182	88 Å²	88	85%	0.85	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-16.5	-177.2	-65.6	-178.9	151.6	0	0	113.6
540	Y	74.1	Confident	73	Confident	28 Å²	28	80.9 Å²	80.9	11%	0.11	43%	0.428	C	S	.	.	S	Bend	trans	-72.2	129.3	-175.1	-165	-81.1	0	0	0	112.1	E507 I508 F511 W542 K544 F545	E507-Y540 VanDerWaalsContact CD-CE2 3.49Å; E507-Y540 HydrophobicContact CG-CE2 3.83Å; E507-Y540 PolarHBondContact OE2-OH 3.15Å; I508-Y540 WeakPolarHBondContact CD1-OH 3.27Å; F511-Y540 HydrophobicContact CD1-CD1 4.43Å; F511-Y540 HydrophobicContact CD2-CD1 4.31Å; F511-Y540 AromaticContact CD2-CD2 3.88Å; F511-Y540 HydrophobicContact CD2-CD2 3.88Å; F511-Y540 HydrophobicContact CD2-CE2 4.46Å; F511-Y540 AromaticContact CD2-CG 3.81Å; F511-Y540 HydrophobicContact CD2-CG 3.81Å; F511-Y540 HydrophobicContact CE1-CD1 4.01Å; F511-Y540 HydrophobicContact CE1-CG 4.38Å; F511-Y540 AromaticContact CE2-CD1 3.9Å; F511-Y540 HydrophobicContact CE2-CD1 3.9Å; F511-Y540 AromaticContact CE2-CD2 3.97Å; F511-Y540 HydrophobicContact CE2-CD2 3.97Å; F511-Y540 AromaticContact CE2-CG 3.43Å; F511-Y540 HydrophobicContact CE2-CG 3.43Å; F511-Y540 VanDerWaalsContact CE2-CG 3.43Å; F511-Y540 HydrophobicContact CG-CD2 4.46Å; F511-Y540 HydrophobicContact CG-CG 4.42Å; F511-Y540 AromaticContact CZ-CD1 3.71Å; F511-Y540 HydrophobicContact CZ-CD1 3.71Å; F511-Y540 AromaticContact CZ-CG 3.74Å; F511-Y540 HydrophobicContact CZ-CG 3.74Å; Y540-W542 PolarHBondContact O-N 3.22Å; Y540-K544 WeakPolarHBondContact OH-CD 3.38Å; Y540-F545 HydrophobicContact CD1-CB 4.32Å; Y540-F545 HydrophobicContact CE1-CB 3.75Å
541	P	86.1	Confident	74.1	Confident	70 Å²	70	78.2 Å²	78.2	46%	0.455	42%	0.417	S	S	.	.			trans	-70	89.4	177	28.7	-34.7	0	0	0	111.1	D543 K544 F545	P541-D543 PolarHBondContact O-N 2.96Å; P541-K544 HydrophobicContact CB-CB 4.15Å; P541-K544 HydrophobicContact CG-CB 3.96Å; P541-K544 HydrophobicContact CG-CD 4Å; P541-K544 WeakPolarHBondContact O-CA 3.31Å; P541-K544 VanDerWaalsContact O-CB 3.24Å; P541-K544 WeakPolarHBondContact O-CB 3.36Å; P541-K544 PolarHBondContact O-N 3.44Å; P541-F545 PolarHBondContact O-N 3.38Å
542	W	92.7	Very high	75.9	Confident	30 Å²	30	73.4 Å²	73.4	11%	0.114	38%	0.383	C	S	.	.	H	α-helix	trans	-53.1	-25.5	-179.1	-83.2	98.8	0	0	0	114.7	R405 F511 Q515 S537 Y540 F545 L546	R405-W542 HydrophobicContact CB-CD2 4.31Å; R405-W542 HydrophobicContact CB-CE3 3.71Å; R405-W542 HydrophobicContact CB-CH2 3.92Å; R405-W542 HydrophobicContact CB-CZ2 4.49Å; R405-W542 HydrophobicContact CB-CZ3 3.5Å; R405-W542 HydrophobicContact CG-CD2 3.98Å; R405-W542 HydrophobicContact CG-CE3 3.56Å; R405-W542 HydrophobicContact CG-CZ3 3.93Å; F511-W542 HydrophobicContact CE1-CD2 4.27Å; F511-W542 AromaticContact CE1-CE3 3.91Å; F511-W542 HydrophobicContact CE1-CE3 3.91Å; F511-W542 AromaticContact CE1-CH2 3.61Å; F511-W542 HydrophobicContact CE1-CH2 3.61Å; F511-W542 AromaticContact CE1-CZ2 3.98Å; F511-W542 HydrophobicContact CE1-CZ2 3.98Å; F511-W542 AromaticContact CE1-CZ3 3.55Å; F511-W542 HydrophobicContact CE1-CZ3 3.55Å; F511-W542 HydrophobicContact CZ-CD2 4.14Å; F511-W542 AromaticContact CZ-CE2 3.79Å; F511-W542 HydrophobicContact CZ-CE3 4.25Å; F511-W542 AromaticContact CZ-CH2 3.75Å; F511-W542 HydrophobicContact CZ-CH2 3.75Å; F511-W542 AromaticContact CZ-CZ2 3.61Å; F511-W542 HydrophobicContact CZ-CZ2 3.61Å; F511-W542 HydrophobicContact CZ-CZ3 4.05Å; Q515-W542 HydrophobicContact CG-CH2 3.93Å; Q515-W542 HydrophobicContact CG-CZ2 4.35Å; S537-W542 PolarHBondContact O-NE1 2.93Å; Y540-W542 PolarHBondContact O-N 3.22Å; W542-F545 HydrophobicContact CE3-CB 4.48Å; W542-F545 AromaticContact CE3-CD1 3.75Å; W542-F545 HydrophobicContact CE3-CD1 3.75Å; W542-F545 HydrophobicContact CE3-CE1 4.47Å; W542-F545 HydrophobicContact CE3-CG 4.37Å; W542-F545 AromaticContact CZ3-CD1 3.74Å; W542-F545 HydrophobicContact CZ3-CD1 3.74Å; W542-F545 HydrophobicContact CZ3-CE1 4.03Å; W542-F545 HydrophobicContact CZ3-CG 4.48Å; W542-F545 WeakPolarHBondContact O-CB 3.19Å; W542-F545 PolarHBondContact O-N 2.86Å; W542-L546 WeakPolarHBondContact O-CB 3.43Å; W542-L546 WeakPolarHBondContact O-CG 3.24Å; W542-L546 PolarHBondContact O-N 3.35Å
543	D	91.5	Very high	77.8	Confident	114 Å²	114	68.2 Å²	68.2	61%	0.61	35%	0.346	S	S	*	.	H	α-helix	trans	-77.9	-28.8	179	-52.3	-30.8	0	0	0	111.8	R405 P541 S547	R405-D543 IonicContact NH2-OD1 3.5Å; P541-D543 PolarHBondContact O-N 2.96Å; D543-S547 VanDerWaalsContact O-CB 3.3Å; D543-S547 WeakPolarHBondContact O-CB 3.14Å; D543-S547 PolarHBondContact O-N 3.19Å
544	K	92.2	Very high	79.8	Confident	85 Å²	85	68.1 Å²	68.1	37%	0.37	35%	0.345	S	S	.	.	H	α-helix	trans	-62.3	-48.2	165.3	-177.7	-170.6	176.5	-166.9	0	109.6	E507 Y540 P541 S547 W548	E507-K544 IonicContact OE1-NZ 2.63Å; E507-K544 PolarHBondContact OE1-NZ 3.32Å; E507-K544 WeakPolarHBondContact OE2-CE 3.42Å; E507-K544 IonicContact OE2-NZ 3.03Å; E507-K544 PolarHBondContact OE2-NZ 2.82Å; Y540-K544 WeakPolarHBondContact OH-CD 3.38Å; P541-K544 HydrophobicContact CB-CB 4.15Å; P541-K544 HydrophobicContact CG-CB 3.96Å; P541-K544 HydrophobicContact CG-CD 4Å; P541-K544 WeakPolarHBondContact O-CA 3.31Å; P541-K544 VanDerWaalsContact O-CB 3.24Å; P541-K544 WeakPolarHBondContact O-CB 3.36Å; P541-K544 PolarHBondContact O-N 3.44Å; K544-S547 PolarHBondContact O-N 3.2Å; K544-W548 PolarHBondContact O-N 2.87Å; K544-W548 VanDerWaalsContact O-N 3.11Å
545	F	95.4	Very high	82	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-49.6	177.3	174.7	-102.1	0	0	0	112.1	A408 C409 I412 I508 F511 S512 Y540 P541 W542 S547 W548 Y549	A408-F545 HydrophobicContact CB-CE1 3.85Å; A408-F545 HydrophobicContact CB-CZ 4.43Å; C409-F545 HydrophobicContact CB-CZ 4.31Å; C409-F545 VanDerWaalsContact SG-CE1 3.56Å; C409-F545 WeakPolarHBondContact SG-CZ 3.4Å; I412-F545 HydrophobicContact CD1-CE2 3.83Å; I412-F545 HydrophobicContact CD1-CZ 3.85Å; I508-F545 HydrophobicContact CD1-CD2 4.36Å; I508-F545 HydrophobicContact CG2-CD2 4.02Å; I508-F545 HydrophobicContact CG2-CE2 3.96Å; F511-F545 HydrophobicContact CD1-CB 4.49Å; F511-F545 AromaticContact CD1-CD2 3.65Å; F511-F545 HydrophobicContact CD1-CD2 3.65Å; F511-F545 HydrophobicContact CD1-CE2 4.04Å; F511-F545 AromaticContact CD1-CG 3.99Å; F511-F545 HydrophobicContact CD1-CG 3.99Å; F511-F545 HydrophobicContact CE1-CB 4.29Å; F511-F545 HydrophobicContact CE1-CD1 4.36Å; F511-F545 HydrophobicContact CE1-CD2 4.11Å; F511-F545 AromaticContact CE1-CG 3.97Å; F511-F545 HydrophobicContact CE1-CG 3.97Å; S512-F545 VanDerWaalsContact OG-CE2 3.3Å; S512-F545 WeakPolarHBondContact OG-CE2 3.28Å; Y540-F545 HydrophobicContact CD1-CB 4.32Å; Y540-F545 HydrophobicContact CE1-CB 3.75Å; P541-F545 PolarHBondContact O-N 3.38Å; W542-F545 HydrophobicContact CE3-CB 4.48Å; W542-F545 AromaticContact CE3-CD1 3.75Å; W542-F545 HydrophobicContact CE3-CD1 3.75Å; W542-F545 HydrophobicContact CE3-CE1 4.47Å; W542-F545 HydrophobicContact CE3-CG 4.37Å; W542-F545 AromaticContact CZ3-CD1 3.74Å; W542-F545 HydrophobicContact CZ3-CD1 3.74Å; W542-F545 HydrophobicContact CZ3-CE1 4.03Å; W542-F545 HydrophobicContact CZ3-CG 4.48Å; W542-F545 WeakPolarHBondContact O-CB 3.19Å; W542-F545 PolarHBondContact O-N 2.86Å; F545-S547 VanDerWaalsContact C-N 3.34Å; F545-S547 PolarHBondContact O-N 3.48Å; F545-W548 PolarHBondContact O-N 2.7Å; F545-Y549 WeakPolarHBondContact O-CB 3.38Å; F545-Y549 PolarHBondContact O-N 3.31Å
546	L	95.7	Very high	84.1	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-64.7	-37.8	179.8	-73.4	177.5	0	0	0	111.8	F404 R405 A408 W542 Y549 Y550 L611	F404-L546 HydrophobicContact CD1-CD2 4.18Å; F404-L546 HydrophobicContact CE1-CD2 3.99Å; R405-L546 HydrophobicContact CG-CD1 4.29Å; A408-L546 HydrophobicContact CB-CD2 4.07Å; W542-L546 WeakPolarHBondContact O-CB 3.43Å; W542-L546 WeakPolarHBondContact O-CG 3.24Å; W542-L546 PolarHBondContact O-N 3.35Å; L546-Y549 HydrophobicContact CD2-CD1 4.4Å; L546-Y549 PolarHBondContact O-N 2.9Å; L546-Y550 HydrophobicContact CB-CD2 4.45Å; L546-Y550 HydrophobicContact CB-CE2 3.9Å; L546-Y550 WeakPolarHBondContact O-CD2 3.35Å; L546-Y550 PolarHBondContact O-N 3.17Å; L546-L611 HydrophobicContact CD1-CD2 3.83Å
547	S	94.3	Very high	86	Confident	58 Å²	58	60.9 Å²	60.9	41%	0.406	31%	0.313	S	S	.	.	H	α-helix	trans	-56.3	-50.8	172.8	-169.7	0	0	0	0	111.8	D543 K544 F545 Y550 Q551	D543-S547 VanDerWaalsContact O-CB 3.3Å; D543-S547 WeakPolarHBondContact O-CB 3.14Å; D543-S547 PolarHBondContact O-N 3.19Å; K544-S547 PolarHBondContact O-N 3.2Å; F545-S547 VanDerWaalsContact C-N 3.34Å; F545-S547 PolarHBondContact O-N 3.48Å; S547-Y550 PolarHBondContact O-N 3.31Å; S547-Q551 WeakPolarHBondContact O-CG 3.46Å; S547-Q551 PolarHBondContact O-N 3.03Å; S547-Q551 VanDerWaalsContact O-N 3.15Å
548	W	94.4	Very high	87.6	Confident	46 Å²	46	60.5 Å²	60.5	17%	0.174	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-44.1	175.4	-82.9	105.7	0	0	0	112.7	F502 E503 I504 P505 I508 K544 F545 Y550 Q551 I552	F502-W548 HydrophobicContact CE1-CH2 4.32Å; F502-W548 HydrophobicContact CE1-CZ3 4.42Å; E503-W548 WeakPolarHBondContact O-CH2 3.33Å; I504-W548 HydrophobicContact CG1-CZ3 4.49Å; P505-W548 VanDerWaalsContact CD-CZ2 3.46Å; P505-W548 HydrophobicContact CG-CH2 4.24Å; P505-W548 HydrophobicContact CG-CZ2 3.69Å; I508-W548 HydrophobicContact CD1-CB 3.91Å; I508-W548 HydrophobicContact CD1-CG 3.86Å; I508-W548 HydrophobicContact CG1-CB 4Å; I508-W548 HydrophobicContact CG1-CD2 4.46Å; I508-W548 HydrophobicContact CG1-CG 3.86Å; I508-W548 HydrophobicContact CG2-CB 4.07Å; K544-W548 PolarHBondContact O-N 2.87Å; K544-W548 VanDerWaalsContact O-N 3.11Å; F545-W548 PolarHBondContact O-N 2.7Å; W548-Y550 VanDerWaalsContact C-N 3.31Å; W548-Y550 PolarHBondContact O-N 2.88Å; W548-Q551 WeakPolarHBondContact O-CA 3.29Å; W548-Q551 WeakPolarHBondContact O-CB 3.48Å; W548-Q551 PolarHBondContact O-N 2.96Å; W548-I552 VanDerWaalsContact O-CG1 3.26Å; W548-I552 WeakPolarHBondContact O-CG1 3.39Å; W548-I552 PolarHBondContact O-N 3.46Å
549	Y	95.6	Very high	89.4	Confident	1 Å²	1	55.8 Å²	55.8	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-54.9	-44.7	173.9	168.2	-107.8	0	0	0	112.3	A408 I412 F545 L546 Q551 I552 I553 V588 R589 N590	A408-Y549 HydrophobicContact CB-CD1 3.66Å; A408-Y549 HydrophobicContact CB-CD2 3.87Å; A408-Y549 HydrophobicContact CB-CE1 3.82Å; A408-Y549 HydrophobicContact CB-CE2 4.03Å; A408-Y549 HydrophobicContact CB-CG 3.69Å; I412-Y549 HydrophobicContact CD1-CD2 4.12Å; I412-Y549 HydrophobicContact CG1-CD2 3.98Å; F545-Y549 WeakPolarHBondContact O-CB 3.38Å; F545-Y549 PolarHBondContact O-N 3.31Å; L546-Y549 HydrophobicContact CD2-CD1 4.4Å; L546-Y549 PolarHBondContact O-N 2.9Å; Y549-Q551 VanDerWaalsContact C-N 3.26Å; Y549-Q551 PolarHBondContact O-N 2.79Å; Y549-I552 PolarHBondContact O-N 3.31Å; Y549-I553 HydrophobicContact CD2-CG1 3.94Å; Y549-I553 HydrophobicContact CE1-CG1 4.27Å; Y549-I553 HydrophobicContact CE2-CD1 3.76Å; Y549-I553 HydrophobicContact CE2-CG1 3.38Å; Y549-I553 WeakPolarHBondContact O-CB 3.37Å; Y549-I553 VanDerWaalsContact O-CG1 3.29Å; Y549-I553 WeakPolarHBondContact O-CG1 3.34Å; Y549-I553 PolarHBondContact O-N 3.21Å; Y549-V588 PolarHBondContact OH-O 3.42Å; Y549-R589 VanDerWaalsContact OH-C 3.3Å; Y549-R589 PolarHBondContact OH-O 3.14Å; Y549-N590 HydrophobicContact CE1-CB 4.18Å; Y549-N590 WeakPolarHBondContact OH-CB 3.28Å; Y549-N590 PolarHBondContact OH-N 2.91Å
550	Y	95.4	Very high	90.6	Very high	18 Å²	18	51.4 Å²	51.4	7%	0.071	26%	0.261	C	S	.	.	H	α-helix	trans	-67.9	-21.8	177	-61	-45.6	0	0	0	113.8	F404 L546 S547 W548 K554 D609 R610 L611	F404-Y550 HydrophobicContact CE1-CE1 4.33Å; F404-Y550 VanDerWaalsContact CE1-OH 3.23Å; F404-Y550 WeakPolarHBondContact CE1-OH 3.12Å; F404-Y550 HydrophobicContact CZ-CE1 4.26Å; F404-Y550 WeakPolarHBondContact CZ-OH 3.37Å; L546-Y550 HydrophobicContact CB-CD2 4.45Å; L546-Y550 HydrophobicContact CB-CE2 3.9Å; L546-Y550 WeakPolarHBondContact O-CD2 3.35Å; L546-Y550 PolarHBondContact O-N 3.17Å; S547-Y550 PolarHBondContact O-N 3.31Å; W548-Y550 VanDerWaalsContact C-N 3.31Å; W548-Y550 PolarHBondContact O-N 2.88Å; Y550-K554 WeakPolarHBondContact O-CG 3.41Å; Y550-D609 VanDerWaalsContact CE1-O 3.27Å; Y550-D609 WeakPolarHBondContact CE1-O 3.42Å; Y550-R610 HydrophobicContact CD1-CG 4.38Å; Y550-R610 VanDerWaalsContact CD2-CZ 3.46Å; Y550-R610 HydrophobicContact CE1-CG 4.07Å; Y550-R610 HydrophobicContact CE2-CG 4.5Å; Y550-L611 PolarHBondContact OH-N 3.21Å
551	Q	92.8	Very high	91.1	Very high	61 Å²	61	52.9 Å²	52.9	29%	0.285	27%	0.273	S	S	.	.	H	α-helix	trans	-80.6	-47.3	171.3	-65.5	175.4	24.7	0	0	111.1	S547 W548 Y549 I553 K554 M555	S547-Q551 WeakPolarHBondContact O-CG 3.46Å; S547-Q551 PolarHBondContact O-N 3.03Å; S547-Q551 VanDerWaalsContact O-N 3.15Å; W548-Q551 WeakPolarHBondContact O-CA 3.29Å; W548-Q551 WeakPolarHBondContact O-CB 3.48Å; W548-Q551 PolarHBondContact O-N 2.96Å; Y549-Q551 VanDerWaalsContact C-N 3.26Å; Y549-Q551 PolarHBondContact O-N 2.79Å; Q551-I553 PolarHBondContact O-N 2.75Å; Q551-K554 CarbonylContact O-C 3.58Å; Q551-K554 WeakPolarHBondContact O-CA 3.22Å; Q551-K554 WeakPolarHBondContact O-CB 2.96Å; Q551-K554 PolarHBondContact O-N 3.07Å; Q551-M555 PolarHBondContact O-N 3.01Å
552	I	93.8	Very high	91.2	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-54.6	-38.2	175.7	-68.4	166.2	0	0	0	111.4	I412 M415 I504 I508 W548 Y549 K554 M555 P556 L559	I412-I552 HydrophobicContact CD1-CD1 3.81Å; I412-I552 HydrophobicContact CG1-CD1 4.38Å; I412-I552 HydrophobicContact CG1-CG2 4.48Å; M415-I552 HydrophobicContact CE-CG2 3.8Å; M415-I552 HydrophobicContact SD-CG2 4.28Å; I504-I552 HydrophobicContact CD1-CD1 3.95Å; I504-I552 HydrophobicContact CD1-CG1 3.66Å; I504-I552 HydrophobicContact CG1-CD1 4.29Å; I504-I552 HydrophobicContact CG1-CG1 4.03Å; I504-I552 HydrophobicContact CG2-CD1 4.01Å; I508-I552 HydrophobicContact CG2-CD1 4.02Å; W548-I552 VanDerWaalsContact O-CG1 3.26Å; W548-I552 WeakPolarHBondContact O-CG1 3.39Å; W548-I552 PolarHBondContact O-N 3.46Å; Y549-I552 PolarHBondContact O-N 3.31Å; I552-K554 VanDerWaalsContact C-N 3.29Å; I552-K554 PolarHBondContact O-N 2.84Å; I552-M555 CarbonylContact O-C 3.49Å; I552-M555 VanDerWaalsContact O-C 3.25Å; I552-M555 PolarHBondContact O-N 2.79Å; I552-P556 VanDerWaalsContact O-CA 3.29Å; I552-P556 WeakPolarHBondContact O-CA 3.36Å; I552-P556 VanDerWaalsContact O-N 3.11Å; I552-L559 HydrophobicContact CG2-CD1 3.7Å; I552-L559 HydrophobicContact CG2-CD2 4.23Å; I552-L559 HydrophobicContact CG2-CG 3.95Å
553	I	92.4	Very high	91.1	Very high	19 Å²	19	52.7 Å²	52.7	10%	0.097	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.4	177	-72.7	-67	0	0	0	114	M415 Y549 Q551 V588 R589	M415-I553 HydrophobicContact CE-CD1 4.12Å; M415-I553 HydrophobicContact SD-CD1 3.65Å; Y549-I553 HydrophobicContact CD2-CG1 3.94Å; Y549-I553 HydrophobicContact CE1-CG1 4.27Å; Y549-I553 HydrophobicContact CE2-CD1 3.76Å; Y549-I553 HydrophobicContact CE2-CG1 3.38Å; Y549-I553 WeakPolarHBondContact O-CB 3.37Å; Y549-I553 VanDerWaalsContact O-CG1 3.29Å; Y549-I553 WeakPolarHBondContact O-CG1 3.34Å; Y549-I553 PolarHBondContact O-N 3.21Å; Q551-I553 PolarHBondContact O-N 2.75Å; I553-V588 HydrophobicContact CD1-CB 4.47Å; I553-V588 WeakPolarHBondContact CD1-O 3.23Å; I553-R589 VanDerWaalsContact CG2-CZ 3.47Å
554	K	89.8	Confident	91	Very high	170 Å²	170	53.8 Å²	53.8	74%	0.739	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-35	169.2	-66	175.3	178.8	-176.5	0	112.3	Y550 Q551 I552 P556	Y550-K554 WeakPolarHBondContact O-CG 3.41Å; Q551-K554 CarbonylContact O-C 3.58Å; Q551-K554 WeakPolarHBondContact O-CA 3.22Å; Q551-K554 WeakPolarHBondContact O-CB 2.96Å; Q551-K554 PolarHBondContact O-N 3.07Å; I552-K554 VanDerWaalsContact C-N 3.29Å; I552-K554 PolarHBondContact O-N 2.84Å; K554-P556 VanDerWaalsContact C-CD 3.43Å; K554-P556 WeakPolarHBondContact O-CD 3.18Å
555	M	89	Confident	91	Very high	75 Å²	75	51.7 Å²	51.7	37%	0.369	26%	0.26	S	S	.	.			trans	-124.9	65.5	-173	-64.6	176.3	68.1	0	0	110.7	Q551 I552 H557 L558	Q551-M555 PolarHBondContact O-N 3.01Å; I552-M555 CarbonylContact O-C 3.49Å; I552-M555 VanDerWaalsContact O-C 3.25Å; I552-M555 PolarHBondContact O-N 2.79Å; M555-H557 PolarHBondContact O-N 2.78Å; M555-H557 VanDerWaalsContact O-N 3.14Å; M555-L558 HydrophobicContact CB-CD1 3.75Å; M555-L558 HydrophobicContact CB-CG 3.93Å; M555-L558 HydrophobicContact CE-CD1 4.03Å; M555-L558 HydrophobicContact CE-CD2 4.29Å; M555-L558 HydrophobicContact CE-CG 4.31Å; M555-L558 WeakPolarHBondContact O-CB 3.05Å; M555-L558 WeakPolarHBondContact O-CG 3.32Å; M555-L558 PolarHBondContact O-N 3.14Å; M555-L558 VanDerWaalsContact O-N 3.15Å; M555-L558 HydrophobicContact SD-CD1 4.36Å
556	P	88.7	Confident	90.8	Very high	65 Å²	65	51.7 Å²	51.7	42%	0.422	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-65.4	-20.3	-173.7	27.3	-36.9	0	0	0	113.5	M415 I552 K554 L558 L559	M415-P556 HydrophobicContact CE-CB 3.63Å; I552-P556 VanDerWaalsContact O-CA 3.29Å; I552-P556 WeakPolarHBondContact O-CA 3.36Å; I552-P556 VanDerWaalsContact O-N 3.11Å; K554-P556 VanDerWaalsContact C-CD 3.43Å; K554-P556 WeakPolarHBondContact O-CD 3.18Å; P556-L558 PolarHBondContact O-N 3.45Å; P556-L559 PolarHBondContact O-N 3.01Å
557	H	86.5	Confident	90.7	Very high	117 Å²	117	55.2 Å²	55.2	54%	0.542	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-62.2	-25.3	175.8	58.1	-101.4	0	0	0	113	M555 L559 V560	M555-H557 PolarHBondContact O-N 2.78Å; M555-H557 VanDerWaalsContact O-N 3.14Å; H557-L559 PolarHBondContact O-N 2.71Å; H557-V560 WeakPolarHBondContact O-CB 3.38Å; H557-V560 VanDerWaalsContact O-CG1 3.3Å; H557-V560 WeakPolarHBondContact O-CG1 3.12Å; H557-V560 PolarHBondContact O-N 3.12Å
558	L	86.3	Confident	90.6	Very high	27 Å²	27	55.4 Å²	55.4	14%	0.141	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-63.7	-20.2	178.3	-62	-179.9	0	0	0	112.9	F502 I504 M555 P556 V560 T561	F502-L558 WeakPolarHBondContact O-CD2 3.46Å; I504-L558 HydrophobicContact CD1-CB 3.65Å; I504-L558 HydrophobicContact CG1-CB 3.86Å; M555-L558 HydrophobicContact CB-CD1 3.75Å; M555-L558 HydrophobicContact CB-CG 3.93Å; M555-L558 HydrophobicContact CE-CD1 4.03Å; M555-L558 HydrophobicContact CE-CD2 4.29Å; M555-L558 HydrophobicContact CE-CG 4.31Å; M555-L558 WeakPolarHBondContact O-CB 3.05Å; M555-L558 WeakPolarHBondContact O-CG 3.32Å; M555-L558 PolarHBondContact O-N 3.14Å; M555-L558 VanDerWaalsContact O-N 3.15Å; M555-L558 HydrophobicContact SD-CD1 4.36Å; P556-L558 PolarHBondContact O-N 3.45Å; L558-V560 PolarHBondContact O-N 2.91Å; L558-T561 PolarHBondContact O-OG1 2.79Å
559	L	89.7	Confident	90.6	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-73	-1.5	174.2	-68.5	170.5	0	0	0	113.6	I412 M415 I416 L419 I504 I552 P556 H557 T561 A562	I412-L559 HydrophobicContact CG2-CD2 4.28Å; M415-L559 HydrophobicContact CB-CD1 3.51Å; M415-L559 HydrophobicContact CE-CD1 3.89Å; M415-L559 HydrophobicContact CG-CD1 4.47Å; M415-L559 HydrophobicContact SD-CD1 4.36Å; I416-L559 HydrophobicContact CD1-CD2 4.15Å; I416-L559 HydrophobicContact CG1-CB 4.49Å; I416-L559 HydrophobicContact CG1-CD1 4.25Å; I416-L559 HydrophobicContact CG1-CD2 3.93Å; I416-L559 HydrophobicContact CG1-CG 4.48Å; L419-L559 HydrophobicContact CD1-CB 4.2Å; L419-L559 WeakPolarHBondContact CD1-O 3.49Å; I504-L559 HydrophobicContact CD1-CD2 3.51Å; I504-L559 HydrophobicContact CD1-CG 3.85Å; I552-L559 HydrophobicContact CG2-CD1 3.7Å; I552-L559 HydrophobicContact CG2-CD2 4.23Å; I552-L559 HydrophobicContact CG2-CG 3.95Å; P556-L559 PolarHBondContact O-N 3.01Å; H557-L559 PolarHBondContact O-N 2.71Å; L559-T561 PolarHBondContact O-N 3.03Å; L559-A562 WeakPolarHBondContact O-CA 3.37Å; L559-A562 VanDerWaalsContact O-CB 3.32Å; L559-A562 WeakPolarHBondContact O-CB 3.42Å; L559-A562 PolarHBondContact O-N 3.35Å
560	V	85.6	Confident	90.6	Very high	90 Å²	90	56.9 Å²	56.9	55%	0.545	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-61.1	-28.9	-179	71.5	0	0	0	0	113.1	H557 L558 A562 K563	H557-V560 WeakPolarHBondContact O-CB 3.38Å; H557-V560 VanDerWaalsContact O-CG1 3.3Å; H557-V560 WeakPolarHBondContact O-CG1 3.12Å; H557-V560 PolarHBondContact O-N 3.12Å; L558-V560 PolarHBondContact O-N 2.91Å; V560-A562 VanDerWaalsContact C-N 3.27Å; V560-A562 PolarHBondContact O-N 2.83Å; V560-K563 WeakPolarHBondContact O-CB 3.4Å; V560-K563 PolarHBondContact O-N 2.83Å; V560-K563 VanDerWaalsContact O-N 3.13Å
561	T	84.4	Confident	90.5	Very high	60 Å²	60	60.8 Å²	60.8	37%	0.368	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-59.7	-38.8	171.2	55.7	0	0	0	0	111.6	L558 L559 K563 H564	L558-T561 PolarHBondContact O-OG1 2.79Å; L559-T561 PolarHBondContact O-N 3.03Å; T561-K563 PolarHBondContact O-N 3.17Å; T561-H564 PolarHBondContact O-ND1 3.43Å
562	A	89.5	Confident	90.7	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-75.5	2.9	177.1	0	0	0	0	0	114.5	I416 I509 L559 V560 H564 L565	I416-A562 HydrophobicContact CD1-CB 3.95Å; I416-A562 HydrophobicContact CG1-CB 4.02Å; I416-A562 HydrophobicContact CG2-CB 4.21Å; I416-A562 WeakPolarHBondContact CG2-O 3.29Å; I509-A562 HydrophobicContact CD1-CB 3.9Å; I509-A562 HydrophobicContact CG2-CB 4.49Å; L559-A562 WeakPolarHBondContact O-CA 3.37Å; L559-A562 VanDerWaalsContact O-CB 3.32Å; L559-A562 WeakPolarHBondContact O-CB 3.42Å; L559-A562 PolarHBondContact O-N 3.35Å; V560-A562 VanDerWaalsContact C-N 3.27Å; V560-A562 PolarHBondContact O-N 2.83Å; A562-H564 PolarHBondContact O-N 3.23Å; A562-H564 VanDerWaalsContact O-N 3.07Å; A562-L565 WeakPolarHBondContact O-CB 3.22Å; A562-L565 PolarHBondContact O-N 3.05Å
563	K	89.1	Confident	90.7	Very high	95 Å²	95	58.8 Å²	58.8	41%	0.413	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-55.3	-27.4	178.3	-176.6	176.4	-179.5	-178.4	0	113.1	L419 V560 T561 L565 S566	L419-K563 HydrophobicContact CB-CG 4.43Å; L419-K563 HydrophobicContact CD1-CB 4.34Å; V560-K563 WeakPolarHBondContact O-CB 3.4Å; V560-K563 PolarHBondContact O-N 2.83Å; V560-K563 VanDerWaalsContact O-N 3.13Å; T561-K563 PolarHBondContact O-N 3.17Å; K563-L565 PolarHBondContact O-N 2.92Å; K563-S566 WeakPolarHBondContact O-CB 3.46Å; K563-S566 PolarHBondContact O-N 2.9Å; K563-S566 PolarHBondContact O-OG 3.3Å; K563-S566 VanDerWaalsContact O-OG 3.05Å
564	H	89.7	Confident	90.8	Very high	138 Å²	138	65.8 Å²	65.8	64%	0.639	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-65.2	-23.5	174.4	71.9	-88.4	0	0	0	113.6	T561 A562	T561-H564 PolarHBondContact O-ND1 3.43Å; A562-H564 PolarHBondContact O-N 3.23Å; A562-H564 VanDerWaalsContact O-N 3.07Å
565	L	92.8	Very high	91	Very high	41 Å²	41	58.8 Å²	58.8	22%	0.215	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-91.1	-3.6	177.5	-59.4	172.9	0	0	0	113.4	I416 I509 I513 A562 K563 S567 H568 C569	I416-L565 HydrophobicContact CG2-CB 4.11Å; I509-L565 HydrophobicContact CG2-CD1 3.54Å; I513-L565 HydrophobicContact CD1-CD1 4Å; A562-L565 WeakPolarHBondContact O-CB 3.22Å; A562-L565 PolarHBondContact O-N 3.05Å; K563-L565 PolarHBondContact O-N 2.92Å; L565-S567 PolarHBondContact O-N 3.14Å; L565-H568 WeakPolarHBondContact O-CB 3.4Å; L565-H568 PolarHBondContact O-N 3.34Å; L565-H568 VanDerWaalsContact O-N 3.13Å; L565-C569 PolarHBondContact O-N 2.83Å; L565-C569 PolarHBondContact O-SG 3.22Å
566	S	91.6	Very high	91.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-55.7	-45.6	-172.8	-66.2	0	0	0	0	113.6	I416 I420 K563 H568 C569 Q570	I416-S566 VanDerWaalsContact O-CB 3.32Å; I416-S566 WeakPolarHBondContact O-CB 3.37Å; I416-S566 PolarHBondContact O-OG 3.04Å; I420-S566 VanDerWaalsContact CD1-CB 3.44Å; K563-S566 WeakPolarHBondContact O-CB 3.46Å; K563-S566 PolarHBondContact O-N 2.9Å; K563-S566 PolarHBondContact O-OG 3.3Å; K563-S566 VanDerWaalsContact O-OG 3.05Å; S566-H568 PolarHBondContact O-N 3.07Å; S566-C569 CarbonylContact O-C 3.25Å; S566-C569 PolarHBondContact O-N 3.35Å; S566-Q570 VanDerWaalsContact O-CG 3.32Å; S566-Q570 WeakPolarHBondContact O-CG 3.33Å; S566-Q570 PolarHBondContact O-N 3.45Å
567	S	92	Very high	91.5	Very high	77 Å²	77	57 Å²	57	54%	0.538	28%	0.279	S	S	.	.	H	α-helix	trans	-65.1	-36.9	179.1	-51	0	0	0	0	112.8	L565 Q570 Y571	L565-S567 PolarHBondContact O-N 3.14Å; S567-Q570 PolarHBondContact O-N 3.47Å; S567-Y571 PolarHBondContact O-N 3.11Å; S567-Y571 VanDerWaalsContact O-N 3.11Å
568	H	92.4	Very high	91.6	Very high	62 Å²	62	57 Å²	57	29%	0.287	28%	0.278	S	S	.	.	H	α-helix	trans	-66.7	-43.5	172.9	179.4	84.9	0	0	0	110.9	L479 I513 Q517 L565 S566 Q570 Y571 L572	L479-H568 WeakPolarHBondContact CD2-CE1 3.29Å; I513-H568 WeakPolarHBondContact CG2-NE2 3.19Å; Q517-H568 PolarHBondContact NE2-CE1 3.38Å; Q517-H568 PolarHBondContact NE2-NE2 3.03Å; L565-H568 WeakPolarHBondContact O-CB 3.4Å; L565-H568 PolarHBondContact O-N 3.34Å; L565-H568 VanDerWaalsContact O-N 3.13Å; S566-H568 PolarHBondContact O-N 3.07Å; H568-Q570 VanDerWaalsContact C-N 3.33Å; H568-Q570 PolarHBondContact O-N 3.17Å; H568-Y571 PolarHBondContact O-N 3.35Å; H568-L572 WeakPolarHBondContact O-CB 3.28Å; H568-L572 PolarHBondContact O-N 2.77Å
569	C	95.8	Very high	91.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.1	-35	176.8	-65.5	0	0	0	0	112.1	V413 I416 A417 L565 S566 L572 C573	V413-C569 HydrophobicContact CG1-CB 3.98Å; I416-C569 HydrophobicContact CB-CB 4.23Å; I416-C569 HydrophobicContact CG2-CB 4.02Å; I416-C569 VanDerWaalsContact CG2-SG 3.54Å; A417-C569 HydrophobicContact CB-CB 3.9Å; L565-C569 PolarHBondContact O-N 2.83Å; L565-C569 PolarHBondContact O-SG 3.22Å; S566-C569 CarbonylContact O-C 3.25Å; S566-C569 PolarHBondContact O-N 3.35Å; C569-L572 PolarHBondContact O-N 3.47Å; C569-C573 WeakPolarHBondContact O-CB 3.49Å; C569-C573 PolarHBondContact O-N 2.95Å; C569-C573 PolarHBondContact O-SG 3.02Å
570	Q	95	Very high	91.9	Very high	78 Å²	78	59.6 Å²	59.6	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-64.1	-45.4	172.6	-75	174.1	0.3	0	0	111.9	A417 S566 S567 H568 C573 K574	A417-Q570 HydrophobicContact CB-CG 3.84Å; A417-Q570 WeakPolarHBondContact O-CG 3.36Å; A417-Q570 PolarHBondContact O-NE2 3.03Å; S566-Q570 VanDerWaalsContact O-CG 3.32Å; S566-Q570 WeakPolarHBondContact O-CG 3.33Å; S566-Q570 PolarHBondContact O-N 3.45Å; S567-Q570 PolarHBondContact O-N 3.47Å; H568-Q570 VanDerWaalsContact C-N 3.33Å; H568-Q570 PolarHBondContact O-N 3.17Å; Q570-C573 PolarHBondContact O-N 3.38Å; Q570-K574 PolarHBondContact O-N 3.47Å
571	Y	94.4	Very high	92.1	Very high	100 Å²	100	56.4 Å²	56.4	39%	0.392	27%	0.27	S	S	.	.	H	α-helix	trans	-62.1	-44.5	174.6	179.8	-103.5	0	0	0	111.7	L479 S567 H568 K574 L575	L479-Y571 HydrophobicContact CD1-CE1 4.38Å; L479-Y571 HydrophobicContact CD2-CE1 4.32Å; S567-Y571 PolarHBondContact O-N 3.11Å; S567-Y571 VanDerWaalsContact O-N 3.11Å; H568-Y571 PolarHBondContact O-N 3.35Å; Y571-K574 WeakPolarHBondContact O-CB 3.19Å; Y571-K574 PolarHBondContact O-N 3.5Å; Y571-K574 VanDerWaalsContact O-N 3.16Å; Y571-L575 HydrophobicContact CD1-CD1 4.18Å; Y571-L575 HydrophobicContact CE1-CD1 3.58Å; Y571-L575 HydrophobicContact CE1-CG 4.24Å; Y571-L575 PolarHBondContact O-N 2.96Å
572	L	95.1	Very high	92.6	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-62.5	-43.4	176.2	-173.5	55	0	0	0	111.8	V413 I513 C516 Q517 L520 H568 C569 K574 L575 L576	V413-L572 HydrophobicContact CG1-CB 4.37Å; V413-L572 HydrophobicContact CG1-CD2 3.96Å; V413-L572 HydrophobicContact CG1-CG 4.19Å; V413-L572 HydrophobicContact CG2-CD2 4.44Å; I513-L572 HydrophobicContact CB-CD2 4.49Å; I513-L572 HydrophobicContact CG1-CD2 4.47Å; I513-L572 HydrophobicContact CG2-CD2 4.04Å; C516-L572 HydrophobicContact CB-CD1 4.34Å; C516-L572 HydrophobicContact CB-CD2 3.91Å; C516-L572 HydrophobicContact CB-CG 4.26Å; Q517-L572 HydrophobicContact CG-CD1 4.3Å; L520-L572 HydrophobicContact CD1-CD1 3.6Å; H568-L572 WeakPolarHBondContact O-CB 3.28Å; H568-L572 PolarHBondContact O-N 2.77Å; C569-L572 PolarHBondContact O-N 3.47Å; L572-K574 VanDerWaalsContact C-N 3.32Å; L572-K574 PolarHBondContact O-N 2.92Å; L572-L575 PolarHBondContact O-N 3.46Å; L572-L576 HydrophobicContact CD1-CD1 4.4Å; L572-L576 HydrophobicContact CD1-CG 4.42Å; L572-L576 HydrophobicContact CG-CD1 3.97Å; L572-L576 HydrophobicContact CG-CG 4.48Å; L572-L576 WeakPolarHBondContact O-CB 3.22Å; L572-L576 WeakPolarHBondContact O-CD1 3.43Å; L572-L576 VanDerWaalsContact O-CG 3.24Å; L572-L576 WeakPolarHBondContact O-CG 3.43Å; L572-L576 PolarHBondContact O-N 3.22Å
573	C	95.5	Very high	92.9	Very high	17 Å²	17	54.7 Å²	54.7	12%	0.115	26%	0.258	C	S	.	.	H	α-helix	trans	-57.1	-42.6	171.6	-72.5	0	0	0	0	112.2	C569 Q570 L575 L576 K577 F583	C569-C573 WeakPolarHBondContact O-CB 3.49Å; C569-C573 PolarHBondContact O-N 2.95Å; C569-C573 PolarHBondContact O-SG 3.02Å; Q570-C573 PolarHBondContact O-N 3.38Å; C573-L575 VanDerWaalsContact C-N 3.33Å; C573-L575 PolarHBondContact O-N 3.05Å; C573-L576 PolarHBondContact O-N 2.91Å; C573-K577 VanDerWaalsContact O-CB 3.24Å; C573-K577 WeakPolarHBondContact O-CB 3.48Å; C573-K577 PolarHBondContact O-N 2.95Å; C573-F583 HydrophobicContact CB-CE1 4.33Å; C573-F583 HydrophobicContact CB-CZ 3.78Å
574	K	93.4	Very high	93	Very high	166 Å²	166	51.9 Å²	51.9	72%	0.722	25%	0.247	S	C	*	.	H	α-helix	trans	-63.3	-36.9	178.1	-173.2	177.5	-179.6	176.5	0	112.2	Q570 Y571 L572	Q570-K574 PolarHBondContact O-N 3.47Å; Y571-K574 WeakPolarHBondContact O-CB 3.19Å; Y571-K574 PolarHBondContact O-N 3.5Å; Y571-K574 VanDerWaalsContact O-N 3.16Å; L572-K574 VanDerWaalsContact C-N 3.32Å; L572-K574 PolarHBondContact O-N 2.92Å
575	L	94	Very high	93.2	Very high	24 Å²	24	45.3 Å²	45.3	13%	0.126	22%	0.217	C	C	.	.	H	α-helix	trans	-71.1	-50.3	172.7	-65.9	179.9	0	0	0	111.9	L479 L520 Y571 L572 C573 K577 K578	L479-L575 HydrophobicContact CD1-CD1 4.41Å; L520-L575 HydrophobicContact CD1-CB 3.72Å; L520-L575 HydrophobicContact CD1-CD1 4.15Å; L520-L575 HydrophobicContact CD2-CB 4.3Å; Y571-L575 HydrophobicContact CD1-CD1 4.18Å; Y571-L575 HydrophobicContact CE1-CD1 3.58Å; Y571-L575 HydrophobicContact CE1-CG 4.24Å; Y571-L575 PolarHBondContact O-N 2.96Å; L572-L575 PolarHBondContact O-N 3.46Å; C573-L575 VanDerWaalsContact C-N 3.33Å; C573-L575 PolarHBondContact O-N 3.05Å; L575-K577 VanDerWaalsContact C-N 3.3Å; L575-K577 PolarHBondContact O-N 3.37Å; L575-K578 WeakPolarHBondContact O-CB 3.37Å; L575-K578 PolarHBondContact O-N 2.98Å
576	L	94.8	Very high	93.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-55.5	-43.1	179.7	-72.4	163.9	0	0	0	112.1	L410 C516 F519 L520 L572 C573 K578 Y579 C580 F583	L410-L576 HydrophobicContact CD1-CD2 4.43Å; L410-L576 HydrophobicContact CG-CD1 4.19Å; C516-L576 HydrophobicContact CB-CD1 4.05Å; C516-L576 HydrophobicContact CB-CD2 4.24Å; F519-L576 HydrophobicContact CD1-CD2 3.83Å; F519-L576 HydrophobicContact CE1-CD2 4.25Å; L520-L576 HydrophobicContact CD1-CD2 4.31Å; L520-L576 HydrophobicContact CD1-CG 4.35Å; L520-L576 HydrophobicContact CD2-CD2 4.28Å; L520-L576 HydrophobicContact CG-CD2 4.01Å; L572-L576 HydrophobicContact CD1-CD1 4.4Å; L572-L576 HydrophobicContact CD1-CG 4.42Å; L572-L576 HydrophobicContact CG-CD1 3.97Å; L572-L576 HydrophobicContact CG-CG 4.48Å; L572-L576 WeakPolarHBondContact O-CB 3.22Å; L572-L576 WeakPolarHBondContact O-CD1 3.43Å; L572-L576 VanDerWaalsContact O-CG 3.24Å; L572-L576 WeakPolarHBondContact O-CG 3.43Å; L572-L576 PolarHBondContact O-N 3.22Å; C573-L576 PolarHBondContact O-N 2.91Å; L576-K578 PolarHBondContact O-N 3.22Å; L576-K578 VanDerWaalsContact O-N 3.14Å; L576-Y579 PolarHBondContact O-N 2.85Å; L576-C580 WeakPolarHBondContact O-CB 3.5Å; L576-C580 PolarHBondContact O-N 2.96Å; L576-F583 HydrophobicContact CB-CD2 3.98Å; L576-F583 HydrophobicContact CB-CE2 3.7Å; L576-F583 HydrophobicContact CD1-CE2 4.18Å
577	K	92.9	Very high	93.5	Very high	101 Å²	101	44.1 Å²	44.1	44%	0.439	21%	0.213	S	C	.	.	H	α-helix	trans	-59.8	-23.1	178.7	-176.9	164.1	-179.6	156.5	0	114.2	C573 L575 F583 D584	C573-K577 VanDerWaalsContact O-CB 3.24Å; C573-K577 WeakPolarHBondContact O-CB 3.48Å; C573-K577 PolarHBondContact O-N 2.95Å; L575-K577 VanDerWaalsContact C-N 3.3Å; L575-K577 PolarHBondContact O-N 3.37Å; K577-F583 HydrophobicContact CB-CB 4.36Å; K577-F583 HydrophobicContact CB-CD1 4.03Å; K577-F583 HydrophobicContact CB-CG 4.09Å; K577-F583 HydrophobicContact CD-CD1 4.22Å; K577-F583 HydrophobicContact CG-CB 4.41Å; K577-F583 HydrophobicContact CG-CD1 4.26Å; K577-F583 HydrophobicContact CG-CG 4.48Å; K577-D584 WeakPolarHBondContact CE-OD1 3.37Å; K577-D584 WeakPolarHBondContact CE-OD2 3.35Å; K577-D584 IonicContact NZ-OD1 2.69Å; K577-D584 PolarHBondContact NZ-OD1 2.94Å; K577-D584 IonicContact NZ-OD2 3.34Å; K577-D584 PolarHBondContact NZ-OD2 2.77Å
578	K	90	Very high	93.6	Very high	118 Å²	118	42.5 Å²	42.5	51%	0.513	20%	0.2	S	C	.	.	H	α-helix	trans	-73.8	-31.8	173.8	-172.5	-176	173.1	-157.9	0	112.7	L575 L576	L575-K578 WeakPolarHBondContact O-CB 3.37Å; L575-K578 PolarHBondContact O-N 2.98Å; L576-K578 PolarHBondContact O-N 3.22Å; L576-K578 VanDerWaalsContact O-N 3.14Å
579	Y	89.2	Confident	93.8	Very high	61 Å²	61	42.4 Å²	42.4	24%	0.239	20%	0.197	C	C	.	.	H	α-helix	trans	-108.6	-10.2	-174.1	-64.3	-83.1	0	0	0	114.3	L520 K523 Y524 L576 P581	L520-Y579 HydrophobicContact CD2-CD2 3.78Å; L520-Y579 HydrophobicContact CD2-CE2 4.45Å; L520-Y579 HydrophobicContact CD2-CG 4.46Å; K523-Y579 HydrophobicContact CB-CD1 3.69Å; K523-Y579 HydrophobicContact CB-CE1 4.24Å; K523-Y579 HydrophobicContact CB-CG 3.96Å; K523-Y579 HydrophobicContact CG-CD1 4.31Å; K523-Y579 HydrophobicContact CG-CG 4.32Å; Y524-Y579 HydrophobicContact CE1-CE2 4.16Å; Y524-Y579 AromaticContact CE1-CZ 3.87Å; Y524-Y579 WeakPolarHBondContact CE1-OH 3.44Å; Y524-Y579 HydrophobicContact CE2-CE2 4.24Å; Y524-Y579 AromaticContact CZ-CE2 3.74Å; Y524-Y579 AromaticContact CZ-CZ 3.95Å; L576-Y579 PolarHBondContact O-N 2.85Å; Y579-P581 WeakPolarHBondContact O-CD 3.33Å
580	C	92	Very high	93.8	Very high	22 Å²	22	42.4 Å²	42.4	15%	0.149	20%	0.197	C	C	.	.			trans	-112.9	92.5	172.6	-68	0	0	0	0	110.3	F519 L576 Q582 F583	F519-C580 WeakPolarHBondContact CE1-SG 3.31Å; F519-C580 WeakPolarHBondContact CZ-SG 3.01Å; L576-C580 WeakPolarHBondContact O-CB 3.5Å; L576-C580 PolarHBondContact O-N 2.96Å; C580-Q582 PolarHBondContact O-N 3.1Å; C580-F583 HydrophobicContact CB-CB 4.02Å; C580-F583 HydrophobicContact CB-CD2 4.42Å; C580-F583 VanDerWaalsContact O-CB 3.25Å; C580-F583 WeakPolarHBondContact O-CB 3.38Å; C580-F583 PolarHBondContact O-N 3.31Å
581	P	91	Very high	94	Very high	23 Å²	23	38.7 Å²	38.7	15%	0.149	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-21	-179.7	-27.7	36.8	0	0	0	114.8	D382 Y383 Y579 R775	D382-P581 HydrophobicContact CB-CB 4.26Å; D382-P581 HydrophobicContact CB-CG 4.12Å; Y383-P581 HydrophobicContact CD1-CB 3.93Å; Y383-P581 HydrophobicContact CD1-CG 4.29Å; Y383-P581 HydrophobicContact CD2-CB 4.23Å; Y383-P581 HydrophobicContact CD2-CG 4.02Å; Y383-P581 HydrophobicContact CE1-CB 4Å; Y383-P581 HydrophobicContact CE1-CG 3.98Å; Y383-P581 HydrophobicContact CE2-CB 4.3Å; Y383-P581 HydrophobicContact CE2-CG 3.67Å; Y383-P581 HydrophobicContact CG-CB 4.04Å; Y383-P581 HydrophobicContact CG-CG 4.31Å; Y579-P581 WeakPolarHBondContact O-CD 3.33Å; P581-R775 PolarHBondContact O-NH1 3.31Å
582	Q	95.1	Very high	94.1	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.033	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	4.1	-179.4	-68.7	167	30.5	0	0	113.5	D382 F385 C580 D584 M585 D586 W777	D382-Q582 WeakPolarHBondContact O-CG 3.48Å; D382-Q582 PolarHBondContact O-NE2 3.22Å; D382-Q582 VanDerWaalsContact O-NE2 3.11Å; D382-Q582 PolarHBondContact OD1-NE2 3.37Å; F385-Q582 PolarHBondContact O-NE2 2.79Å; F385-Q582 VanDerWaalsContact O-NE2 3.17Å; C580-Q582 PolarHBondContact O-N 3.1Å; Q582-D584 VanDerWaalsContact C-N 3.28Å; Q582-D584 PolarHBondContact O-N 3.25Å; Q582-D584 VanDerWaalsContact O-N 3.08Å; Q582-M585 HydrophobicContact CB-CG 3.73Å; Q582-M585 HydrophobicContact CB-SD 3.97Å; Q582-M585 HydrophobicContact CG-CG 4.13Å; Q582-M585 HydrophobicContact CG-SD 3.74Å; Q582-M585 WeakPolarHBondContact O-CG 3.39Å; Q582-M585 PolarHBondContact O-N 2.95Å; Q582-M585 VanDerWaalsContact O-N 3.12Å; Q582-D586 VanDerWaalsContact O-CG 3.24Å; Q582-D586 PolarHBondContact O-N 2.94Å; Q582-W777 HydrophobicContact CB-CH2 4.41Å; Q582-W777 HydrophobicContact CG-CH2 3.47Å; Q582-W777 VanDerWaalsContact CG-CH2 3.47Å; Q582-W777 HydrophobicContact CG-CZ2 4.42Å; Q582-W777 HydrophobicContact CG-CZ3 3.73Å
583	F	94.8	Very high	94.1	Very high	17 Å²	17	34.4 Å²	34.4	8%	0.075	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-42	-172.1	-174.8	-88.3	0	0	0	114.6	L410 K414 C573 L576 K577 C580	L410-F583 HydrophobicContact CD2-CD2 3.91Å; L410-F583 HydrophobicContact CD2-CE2 4.03Å; K414-F583 HydrophobicContact CD-CE1 4.38Å; K414-F583 HydrophobicContact CD-CZ 4.11Å; K414-F583 VanDerWaalsContact CE-CZ 3.49Å; K414-F583 VanDerWaalsContact CE-O 3.27Å; K414-F583 WeakPolarHBondContact CE-O 3.45Å; K414-F583 HydrophobicContact CG-CE1 4.05Å; K414-F583 HydrophobicContact CG-CE2 4.24Å; K414-F583 HydrophobicContact CG-CZ 3.56Å; K414-F583 PolarHBondContact NZ-O 3.26Å; C573-F583 HydrophobicContact CB-CE1 4.33Å; C573-F583 HydrophobicContact CB-CZ 3.78Å; L576-F583 HydrophobicContact CB-CD2 3.98Å; L576-F583 HydrophobicContact CB-CE2 3.7Å; L576-F583 HydrophobicContact CD1-CE2 4.18Å; K577-F583 HydrophobicContact CB-CB 4.36Å; K577-F583 HydrophobicContact CB-CD1 4.03Å; K577-F583 HydrophobicContact CB-CG 4.09Å; K577-F583 HydrophobicContact CD-CD1 4.22Å; K577-F583 HydrophobicContact CG-CB 4.41Å; K577-F583 HydrophobicContact CG-CD1 4.26Å; K577-F583 HydrophobicContact CG-CG 4.48Å; C580-F583 HydrophobicContact CB-CB 4.02Å; C580-F583 HydrophobicContact CB-CD2 4.42Å; C580-F583 VanDerWaalsContact O-CB 3.25Å; C580-F583 WeakPolarHBondContact O-CB 3.38Å; C580-F583 PolarHBondContact O-N 3.31Å
584	D	91.9	Very high	93.9	Very high	35 Å²	35	33.7 Å²	33.7	19%	0.187	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-45.7	-180	-63	-30.3	0	0	0	112.4	K577 Q582 D586 G587 R637	K577-D584 WeakPolarHBondContact CE-OD1 3.37Å; K577-D584 WeakPolarHBondContact CE-OD2 3.35Å; K577-D584 IonicContact NZ-OD1 2.69Å; K577-D584 PolarHBondContact NZ-OD1 2.94Å; K577-D584 IonicContact NZ-OD2 3.34Å; K577-D584 PolarHBondContact NZ-OD2 2.77Å; Q582-D584 VanDerWaalsContact C-N 3.28Å; Q582-D584 PolarHBondContact O-N 3.25Å; Q582-D584 VanDerWaalsContact O-N 3.08Å; D584-D586 PolarHBondContact O-N 2.79Å; D584-G587 PolarHBondContact O-N 3.43Å; D584-R637 WeakPolarHBondContact O-CD 3.2Å
585	M	94.6	Very high	93.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-23	-178.1	62.5	151	-86.8	0	0	113.5	P386 Q582 G587 K633 I635 E636 T770 W777	P386-M585 HydrophobicContact CB-CE 4.07Å; P386-M585 HydrophobicContact CB-SD 4.43Å; P386-M585 HydrophobicContact CG-CE 4.45Å; P386-M585 HydrophobicContact CG-SD 4.41Å; Q582-M585 HydrophobicContact CB-CG 3.73Å; Q582-M585 HydrophobicContact CB-SD 3.97Å; Q582-M585 HydrophobicContact CG-CG 4.13Å; Q582-M585 HydrophobicContact CG-SD 3.74Å; Q582-M585 WeakPolarHBondContact O-CG 3.39Å; Q582-M585 PolarHBondContact O-N 2.95Å; Q582-M585 VanDerWaalsContact O-N 3.12Å; M585-G587 PolarHBondContact O-N 3.36Å; M585-K633 HydrophobicContact CE-CB 4.29Å; M585-K633 HydrophobicContact CE-CG 3.86Å; M585-I635 HydrophobicContact CB-CG2 4.24Å; M585-I635 HydrophobicContact CE-CB 4.49Å; M585-I635 HydrophobicContact CE-CG1 3.77Å; M585-I635 HydrophobicContact SD-CG1 4.14Å; M585-E636 PolarHBondContact O-N 3.47Å; M585-T770 HydrophobicContact CB-CG2 3.72Å; M585-W777 HydrophobicContact CB-CZ2 4.36Å; M585-W777 HydrophobicContact CG-CH2 4.25Å; M585-W777 HydrophobicContact CG-CZ2 3.8Å; M585-W777 HydrophobicContact SD-CD2 3.87Å; M585-W777 HydrophobicContact SD-CE3 3.97Å; M585-W777 HydrophobicContact SD-CH2 3.73Å; M585-W777 HydrophobicContact SD-CZ2 3.58Å; M585-W777 VanDerWaalsContact SD-CZ2 3.58Å; M585-W777 HydrophobicContact SD-CZ3 3.91Å
586	D	94.7	Very high	93	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.7	178.3	-82.5	2.2	0	0	0	113.7	R387 Q582 D584 V588 K633	R387-D586 IonicContact CZ-OD1 2.93Å; R387-D586 IonicContact CZ-OD2 2.7Å; R387-D586 VanDerWaalsContact NH1-CG 3.32Å; R387-D586 IonicContact NH1-OD1 2.68Å; R387-D586 PolarHBondContact NH1-OD1 3.24Å; R387-D586 IonicContact NH1-OD2 3.16Å; R387-D586 PolarHBondContact NH1-OD2 2.73Å; R387-D586 VanDerWaalsContact NH1-OD2 3.14Å; R387-D586 IonicContact NH2-OD1 3.83Å; R387-D586 PolarHBondContact NH2-OD1 2.88Å; R387-D586 IonicContact NH2-OD2 3.35Å; R387-D586 PolarHBondContact NH2-OD2 2.94Å; Q582-D586 VanDerWaalsContact O-CG 3.24Å; Q582-D586 PolarHBondContact O-N 2.94Å; D584-D586 PolarHBondContact O-N 2.79Å; D586-V588 PolarHBondContact O-N 2.77Å; D586-K633 PolarHBondContact O-NZ 2.75Å; D586-K633 WeakPolarHBondContact OD1-CG 3.42Å
587	G	94	Very high	91.6	Very high	11 Å²	11	25.6 Å²	25.6	11%	0.113	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	-132.5	-175.6	0	0	0	0	0	112.2	K414 D584 M585 E636	K414-G587 VanDerWaalsContact CD-O 3.28Å; K414-G587 WeakPolarHBondContact CD-O 3.49Å; K414-G587 PolarHBondContact NZ-O 3.01Å; D584-G587 PolarHBondContact O-N 3.43Å; M585-G587 PolarHBondContact O-N 3.36Å; G587-E636 WeakPolarHBondContact CA-OE2 3.41Å
588	V	95.2	Very high	90.1	Very high	44 Å²	44	25.3 Å²	25.3	27%	0.267	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-143.4	-14.8	179.3	-63.9	0	0	0	0	113.5	S411 K414 M415 Y549 I553 D586 N590 E636	S411-V588 VanDerWaalsContact CB-O 3.32Å; S411-V588 WeakPolarHBondContact CB-O 3.38Å; S411-V588 WeakPolarHBondContact OG-CA 3.5Å; S411-V588 PolarHBondContact OG-O 2.97Å; K414-V588 HydrophobicContact CB-CG1 4.04Å; K414-V588 HydrophobicContact CD-CG1 4.17Å; M415-V588 HydrophobicContact CG-CB 4.27Å; M415-V588 HydrophobicContact CG-CG1 4Å; M415-V588 HydrophobicContact SD-CB 4.33Å; Y549-V588 PolarHBondContact OH-O 3.42Å; I553-V588 HydrophobicContact CD1-CB 4.47Å; I553-V588 WeakPolarHBondContact CD1-O 3.23Å; D586-V588 PolarHBondContact O-N 2.77Å; V588-N590 VanDerWaalsContact C-N 3.28Å; V588-N590 PolarHBondContact O-N 2.73Å; V588-E636 PolarHBondContact N-OE2 3.49Å
589	R	95.8	Very high	88.8	Confident	59 Å²	59	25 Å²	25	22%	0.223	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.5	-178.2	-70.2	-64.1	-56.6	-143.2	-5	113.1	Y549 I553 V591 D609 E636 L679	Y549-R589 VanDerWaalsContact OH-C 3.3Å; Y549-R589 PolarHBondContact OH-O 3.14Å; I553-R589 VanDerWaalsContact CG2-CZ 3.47Å; R589-V591 VanDerWaalsContact C-N 3.27Å; R589-V591 HydrophobicContact CB-CG2 3.65Å; R589-V591 PolarHBondContact O-N 2.83Å; R589-D609 IonicContact CZ-OD2 2.75Å; R589-D609 IonicContact NE-OD2 2.7Å; R589-D609 IonicContact NH2-OD2 3.08Å; R589-D609 PolarHBondContact NH2-OD2 3.04Å; R589-D609 WeakPolarHBondContact O-CB 3.45Å; R589-E636 WeakPolarHBondContact CB-OE2 3.38Å; R589-E636 PolarHBondContact N-OE2 2.96Å; R589-L679 HydrophobicContact CB-CD1 4.49Å; R589-L679 HydrophobicContact CG-CB 4.47Å; R589-L679 HydrophobicContact CG-CD1 4.01Å
590	N	97.3	Very high	87.3	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.131	C	C	.	.			trans	52.4	44.6	-179.5	-162.8	8.4	0	0	0	112.5	F404 T407 A408 Y549 V588 W592 E636	F404-N590 WeakPolarHBondContact CE1-ND2 3.45Å; F404-N590 PolarHBondContact O-ND2 2.93Å; T407-N590 WeakPolarHBondContact CB-OD1 3.42Å; T407-N590 HydrophobicContact CG2-CB 4.3Å; T407-N590 VanDerWaalsContact CG2-OD1 3.25Å; T407-N590 WeakPolarHBondContact CG2-OD1 3.24Å; A408-N590 PolarHBondContact N-ND2 2.83Å; Y549-N590 HydrophobicContact CE1-CB 4.18Å; Y549-N590 WeakPolarHBondContact OH-CB 3.28Å; Y549-N590 PolarHBondContact OH-N 2.91Å; V588-N590 VanDerWaalsContact C-N 3.28Å; V588-N590 PolarHBondContact O-N 2.73Å; N590-W592 PolarHBondContact OD1-NE1 3.18Å; N590-E636 WeakPolarHBondContact CA-OE1 3.4Å; N590-E636 PolarHBondContact N-OE1 2.87Å
591	V	97.5	Very high	85.6	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.			trans	-76.2	136.4	178.4	-170.7	0	0	0	0	109.9	R589 C607 D609 K633 Y634 E636 F682	R589-V591 VanDerWaalsContact C-N 3.27Å; R589-V591 HydrophobicContact CB-CG2 3.65Å; R589-V591 PolarHBondContact O-N 2.83Å; V591-C607 HydrophobicContact CG1-CB 4.02Å; V591-D609 HydrophobicContact CG2-CB 4.28Å; V591-K633 PolarHBondContact O-NZ 2.7Å; V591-Y634 HydrophobicContact CB-CD1 4.13Å; V591-Y634 HydrophobicContact CB-CG 4.33Å; V591-Y634 HydrophobicContact CG1-CD1 4Å; V591-Y634 HydrophobicContact CG1-CG 3.94Å; V591-Y634 VanDerWaalsContact O-CB 3.26Å; V591-Y634 WeakPolarHBondContact O-CB 3.47Å; V591-Y634 PolarHBondContact O-N 2.74Å; V591-E636 HydrophobicContact CB-CG 4.17Å; V591-E636 HydrophobicContact CG2-CG 4.03Å; V591-E636 PolarHBondContact N-OE1 2.88Å; V591-F682 HydrophobicContact CG1-CE1 3.76Å; V591-F682 HydrophobicContact CG1-CZ 3.87Å; V591-F682 HydrophobicContact CG2-CE1 4.05Å; V591-F682 HydrophobicContact CG2-CZ 3.86Å
592	W	97.4	Very high	84	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.2	173	-65.6	77.3	0	0	0	110.3	R387 F389 F400 D403 F404 N590 C607 H608 I614 V631 Q632 K633	R387-W592 HydrophobicContact CG-CH2 4.09Å; R387-W592 HydrophobicContact CG-CZ3 4.35Å; F389-W592 HydrophobicContact CD2-CH2 4.39Å; F389-W592 AromaticContact CD2-CZ3 3.95Å; F389-W592 HydrophobicContact CD2-CZ3 3.95Å; F389-W592 AromaticContact CE2-CH2 3.88Å; F389-W592 HydrophobicContact CE2-CH2 3.88Å; F389-W592 AromaticContact CE2-CZ3 3.87Å; F389-W592 HydrophobicContact CE2-CZ3 3.87Å; F400-W592 HydrophobicContact CD2-CD2 4.32Å; F400-W592 HydrophobicContact CD2-CE3 4.09Å; F400-W592 HydrophobicContact CD2-CH2 4.34Å; F400-W592 HydrophobicContact CD2-CZ3 4.11Å; F400-W592 AromaticContact CE2-CD2 3.66Å; F400-W592 HydrophobicContact CE2-CD2 3.66Å; F400-W592 AromaticContact CE2-CE2 3.92Å; F400-W592 AromaticContact CE2-CE3 3.83Å; F400-W592 HydrophobicContact CE2-CE3 3.83Å; F400-W592 HydrophobicContact CE2-CG 4.04Å; F400-W592 HydrophobicContact CE2-CZ2 4.35Å; F400-W592 HydrophobicContact CE2-CZ3 4.27Å; D403-W592 HydrophobicContact CB-CH2 4.39Å; D403-W592 WeakPolarHBondContact OD1-CH2 3.34Å; D403-W592 WeakPolarHBondContact OD1-CZ2 3.29Å; F404-W592 AromaticContact CD2-CD1 3.51Å; F404-W592 HydrophobicContact CD2-CG 4.45Å; F404-W592 AromaticContact CD2-NE1 3.36Å; F404-W592 AromaticContact CE2-CD1 3.61Å; F404-W592 AromaticContact CE2-NE1 3.82Å; N590-W592 PolarHBondContact OD1-NE1 3.18Å; W592-C607 WeakPolarHBondContact O-CA 3.43Å; W592-H608 PolarHBondContact N-O 3.02Å; W592-H608 PolarHBondContact O-N 3.07Å; W592-I614 HydrophobicContact CB-CD1 3.85Å; W592-I614 HydrophobicContact CG-CD1 4.26Å; W592-V631 HydrophobicContact CE3-CB 4.27Å; W592-V631 HydrophobicContact CE3-CG2 4.48Å; W592-Q632 VanDerWaalsContact CE3-C 3.43Å; W592-K633 HydrophobicContact CD2-CB 4.49Å; W592-K633 HydrophobicContact CD2-CD 4.12Å; W592-K633 HydrophobicContact CE3-CB 4.11Å; W592-K633 VanDerWaalsContact CE3-N 3.32Å; W592-K633 HydrophobicContact CH2-CB 3.98Å; W592-K633 HydrophobicContact CH2-CD 4.19Å; W592-K633 HydrophobicContact CZ2-CB 4.39Å; W592-K633 HydrophobicContact CZ2-CD 3.71Å; W592-K633 HydrophobicContact CZ3-CB 3.84Å
593	I	94.5	Very high	82.5	Confident	13 Å²	13	27.4 Å²	27.4	7%	0.067	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	110.3	178.2	-172.7	165.7	0	0	0	109.4	K595 I605 V606 Q632 Y634 L688	I593-K595 HydrophobicContact CG1-CG 4.2Å; I593-I605 HydrophobicContact CD1-CG2 3.53Å; I593-I605 HydrophobicContact CG1-CG2 3.45Å; I593-I605 VanDerWaalsContact CG1-CG2 3.45Å; I593-V606 WeakPolarHBondContact CA-O 3.34Å; I593-Q632 HydrophobicContact CG2-CB 4.03Å; I593-Q632 VanDerWaalsContact CG2-O 3.32Å; I593-Q632 WeakPolarHBondContact CG2-O 3.31Å; I593-Q632 PolarHBondContact N-O 3.3Å; I593-Q632 PolarHBondContact O-N 3.43Å; I593-Q632 VanDerWaalsContact O-N 3.08Å; I593-Y634 HydrophobicContact CB-CD2 4.14Å; I593-Y634 HydrophobicContact CD1-CD2 4.21Å; I593-Y634 HydrophobicContact CG2-CD2 4.39Å; I593-L688 HydrophobicContact CD1-CD2 4.2Å
594	V	92	Very high	81.5	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	126.7	176.9	-171.5	0	0	0	0	107.7	I605 V606 I614 I617 Y629 I630 V631	V594-I605 WeakPolarHBondContact O-CA 3.15Å; V594-V606 HydrophobicContact CB-CG2 3.83Å; V594-V606 HydrophobicContact CG2-CG2 4.12Å; V594-V606 PolarHBondContact N-O 2.94Å; V594-V606 PolarHBondContact O-N 2.96Å; V594-V606 VanDerWaalsContact O-N 3.16Å; V594-I614 HydrophobicContact CG2-CG1 4.24Å; V594-I614 HydrophobicContact CG2-CG2 4.35Å; V594-I617 HydrophobicContact CG1-CD1 4.32Å; V594-I617 HydrophobicContact CG1-CG2 4.37Å; V594-I617 HydrophobicContact CG2-CD1 4.12Å; V594-Y629 HydrophobicContact CG1-CD1 3.72Å; V594-Y629 HydrophobicContact CG1-CE1 4.24Å; V594-I630 WeakPolarHBondContact CA-O 3.37Å; V594-V631 HydrophobicContact CB-CG1 4.13Å; V594-V631 HydrophobicContact CG1-CG1 4.34Å; V594-V631 HydrophobicContact CG2-CG1 3.68Å
595	K	87.9	Confident	81	Confident	7 Å²	7	28.2 Å²	28.2	3%	0.03	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	123.4	-179.7	-49.5	178.6	175.4	169.4	0	110.5	K363 I593 G597 I605 I630	K363-K595 HydrophobicContact CD-CD 3.98Å; I593-K595 HydrophobicContact CG1-CG 4.2Å; K595-G597 PolarHBondContact O-N 3.38Å; K595-I605 HydrophobicContact CB-CD1 4.26Å; K595-I605 HydrophobicContact CB-CG1 4.19Å; K595-I605 HydrophobicContact CD-CD1 4.06Å; K595-I605 HydrophobicContact CG-CD1 3.87Å; K595-I605 HydrophobicContact CG-CG1 4.05Å; K595-I605 HydrophobicContact CG-CG2 4.18Å; K595-I630 HydrophobicContact CB-CD1 4.15Å; K595-I630 HydrophobicContact CB-CG1 3.78Å; K595-I630 HydrophobicContact CD-CD1 4.21Å; K595-I630 PolarHBondContact N-O 2.91Å; K595-I630 WeakPolarHBondContact O-CG1 3.38Å; K595-I630 PolarHBondContact O-N 2.94Å
596	P	80.8	Confident	80.6	Confident	4 Å²	4	31 Å²	31	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	129.2	170.3	25.2	-34.1	0	0	0	110.1	A598 K599 R603 G604 Y629	P596-A598 PolarHBondContact O-N 3.31Å; P596-A598 VanDerWaalsContact O-N 3.07Å; P596-K599 HydrophobicContact CB-CB 4.34Å; P596-K599 HydrophobicContact CB-CD 4.08Å; P596-K599 HydrophobicContact CB-CG 4.11Å; P596-K599 HydrophobicContact CG-CB 3.87Å; P596-K599 HydrophobicContact CG-CD 3.9Å; P596-K599 HydrophobicContact CG-CG 4.06Å; P596-K599 PolarHBondContact O-N 2.84Å; P596-R603 WeakPolarHBondContact CG-O 3.36Å; P596-G604 WeakPolarHBondContact CD-O 3.39Å; P596-Y629 HydrophobicContact CB-CD1 4.16Å; P596-Y629 HydrophobicContact CB-CE1 3.8Å; P596-Y629 HydrophobicContact CG-CE1 4.36Å
597	G	65.6	Low	80.6	Confident	9 Å²	9	31.2 Å²	31.2	9%	0.093	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.7	-164.3	0	0	0	0	0	116.5	K595 R628	K595-G597 PolarHBondContact O-N 3.38Å; G597-R628 VanDerWaalsContact CA-O 3.29Å; G597-R628 WeakPolarHBondContact CA-O 3.32Å; G597-R628 PolarHBondContact N-O 2.59Å
598	A	60.5	Low	80.5	Confident	96 Å²	96	33 Å²	33	79%	0.793	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.4	12.2	-176	0	0	0	0	0	114.3	P596	P596-A598 PolarHBondContact O-N 3.31Å; P596-A598 VanDerWaalsContact O-N 3.07Å
599	K	62.6	Low	80.4	Confident	111 Å²	111	32.4 Å²	32.4	48%	0.483	18%	0.18	S	C	.	.			trans	-107.9	142.5	173.4	-52.7	-179.4	-176.5	172.2	0	111.3	P596	P596-K599 HydrophobicContact CB-CB 4.34Å; P596-K599 HydrophobicContact CB-CD 4.08Å; P596-K599 HydrophobicContact CB-CG 4.11Å; P596-K599 HydrophobicContact CG-CB 3.87Å; P596-K599 HydrophobicContact CG-CD 3.9Å; P596-K599 HydrophobicContact CG-CG 4.06Å; P596-K599 PolarHBondContact O-N 2.84Å
600	S	57.9	Low	80.4	Confident	6 Å²	6	33.6 Å²	33.6	4%	0.042	19%	0.185	C	C	.	.			trans	-102.6	170	-178.8	57.8	0	0	0	0	112.6	G292 D293 G602 R603	G292-S600 WeakPolarHBondContact O-CB 3.22Å; G292-S600 PolarHBondContact O-OG 3.02Å; D293-S600 WeakPolarHBondContact OD1-CB 3.37Å; S600-G602 PolarHBondContact O-N 3.13Å; S600-R603 WeakPolarHBondContact O-CB 3.1Å; S600-R603 WeakPolarHBondContact O-CG 3.49Å; S600-R603 PolarHBondContact O-N 3.26Å; S600-R603 PolarHBondContact O-NE 2.88Å; S600-R603 PolarHBondContact OG-NH2 3.07Å
601	R	56	Low	80.3	Confident	38 Å²	38	34 Å²	34	14%	0.143	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	39	168.4	-52.3	175.1	-164.8	177.3	1.2	116	D293 S294 D295 D296 R603	D293-R601 PolarHBondContact O-NH2 3.14Å; S294-R601 VanDerWaalsContact C-NH2 3.33Å; D295-R601 PolarHBondContact O-NH1 3.17Å; D296-R601 IonicContact OD1-CZ 3.66Å; D296-R601 IonicContact OD1-NE 3.23Å; D296-R601 IonicContact OD1-NH1 2.88Å; D296-R601 PolarHBondContact OD1-NH1 2.86Å; D296-R601 IonicContact OD1-NH2 2.84Å; D296-R601 WeakPolarHBondContact OD2-CD 3.37Å; D296-R601 IonicContact OD2-CZ 3.33Å; D296-R601 IonicContact OD2-NE 2.94Å; D296-R601 PolarHBondContact OD2-NE 2.68Å; D296-R601 VanDerWaalsContact OD2-NE 3.08Å; D296-R601 IonicContact OD2-NH1 3.45Å; D296-R601 IonicContact OD2-NH2 2.75Å; R601-R603 HydrophobicContact CB-CG 4.49Å; R601-R603 PolarHBondContact O-N 2.83Å
602	G	59.1	Low	80	Confident	4 Å²	4	36.6 Å²	36.6	4%	0.041	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	-0.2	-176.7	0	0	0	0	0	115.5	S600 G604 I605	S600-G602 PolarHBondContact O-N 3.13Å; G602-G604 PolarHBondContact O-N 3Å; G602-I605 WeakPolarHBondContact O-CB 3.41Å; G602-I605 PolarHBondContact O-N 2.99Å
603	R	62.6	Low	79.7	Confident	116 Å²	116	39.4 Å²	39.4	44%	0.438	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	104.6	-174.9	-67.6	-175.2	-73	-178.9	-8.1	111.1	D295 P596 S600 R601	D295-R603 IonicContact OD2-NH1 3.41Å; D295-R603 IonicContact OD2-NH2 2.81Å; P596-R603 WeakPolarHBondContact CG-O 3.36Å; S600-R603 WeakPolarHBondContact O-CB 3.1Å; S600-R603 WeakPolarHBondContact O-CG 3.49Å; S600-R603 PolarHBondContact O-N 3.26Å; S600-R603 PolarHBondContact O-NE 2.88Å; S600-R603 PolarHBondContact OG-NH2 3.07Å; R601-R603 HydrophobicContact CB-CG 4.49Å; R601-R603 PolarHBondContact O-N 2.83Å
604	G	74.4	Confident	79.6	Confident	45 Å²	45	38.8 Å²	38.8	46%	0.464	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	18.4	-175.8	0	0	0	0	0	114.3	P596 G602	P596-G604 WeakPolarHBondContact CD-O 3.39Å; G602-G604 PolarHBondContact O-N 3Å
605	I	81.2	Confident	79.5	Confident	24 Å²	24	40.2 Å²	40.2	12%	0.123	22%	0.22	C	C	.	.			trans	-80.9	129.3	166.1	-64.4	-168.1	0	0	0	108.4	I593 V594 K595 G602 L688	I593-I605 HydrophobicContact CD1-CG2 3.53Å; I593-I605 HydrophobicContact CG1-CG2 3.45Å; I593-I605 VanDerWaalsContact CG1-CG2 3.45Å; V594-I605 WeakPolarHBondContact O-CA 3.15Å; K595-I605 HydrophobicContact CB-CD1 4.26Å; K595-I605 HydrophobicContact CB-CG1 4.19Å; K595-I605 HydrophobicContact CD-CD1 4.06Å; K595-I605 HydrophobicContact CG-CD1 3.87Å; K595-I605 HydrophobicContact CG-CG1 4.05Å; K595-I605 HydrophobicContact CG-CG2 4.18Å; G602-I605 WeakPolarHBondContact O-CB 3.41Å; G602-I605 PolarHBondContact O-N 2.99Å; I605-L688 HydrophobicContact CB-CD1 4.35Å; I605-L688 HydrophobicContact CG2-CD1 4.39Å; I605-L688 HydrophobicContact CG2-CD2 4.07Å
606	V	86.7	Confident	79.3	Confident	59 Å²	59	45.8 Å²	45.8	36%	0.358	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.7	178.3	-64.7	0	0	0	0	110.9	I593 V594 I617	I593-V606 WeakPolarHBondContact CA-O 3.34Å; V594-V606 HydrophobicContact CB-CG2 3.83Å; V594-V606 HydrophobicContact CG2-CG2 4.12Å; V594-V606 PolarHBondContact N-O 2.94Å; V594-V606 PolarHBondContact O-N 2.96Å; V594-V606 VanDerWaalsContact O-N 3.16Å; V606-I617 HydrophobicContact CG2-CD1 3.99Å
607	C	92.6	Very high	79.2	Confident	9 Å²	9	47.8 Å²	47.8	6%	0.061	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	136.9	172.9	-67.2	0	0	0	0	110.4	V591 W592 F682	V591-C607 HydrophobicContact CG1-CB 4.02Å; W592-C607 WeakPolarHBondContact O-CA 3.43Å; C607-F682 HydrophobicContact CB-CB 4.04Å; C607-F682 HydrophobicContact CB-CD1 3.75Å; C607-F682 HydrophobicContact CB-CD2 4.35Å; C607-F682 HydrophobicContact CB-CE1 4.31Å; C607-F682 HydrophobicContact CB-CG 3.79Å; C607-F682 WeakPolarHBondContact O-CD2 3.41Å
608	H	93.3	Very high	79.3	Confident	47 Å²	47	48 Å²	48	22%	0.218	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	144.4	176.5	-69	-43.7	0	0	0	111.1	W592 I614	W592-H608 PolarHBondContact N-O 3.02Å; W592-H608 PolarHBondContact O-N 3.07Å; H608-I614 HydrophobicContact CB-CD1 4.15Å; H608-I614 HydrophobicContact CB-CG1 3.71Å
609	D	93.8	Very high	79.6	Confident	32 Å²	32	49.8 Å²	49.8	17%	0.171	25%	0.245	C	C	.	.	S	Bend	trans	-110.3	8.6	176.3	60.3	-9.7	0	0	0	113	Y550 R589 V591 F682	Y550-D609 VanDerWaalsContact CE1-O 3.27Å; Y550-D609 WeakPolarHBondContact CE1-O 3.42Å; R589-D609 IonicContact CZ-OD2 2.75Å; R589-D609 IonicContact NE-OD2 2.7Å; R589-D609 IonicContact NH2-OD2 3.08Å; R589-D609 PolarHBondContact NH2-OD2 3.04Å; R589-D609 WeakPolarHBondContact O-CB 3.45Å; V591-D609 HydrophobicContact CG2-CB 4.28Å; D609-F682 HydrophobicContact CB-CZ 4.43Å
610	R	94.7	Very high	79.3	Confident	85 Å²	85	47.6 Å²	47.6	32%	0.321	26%	0.255	S	S	.	.			trans	-121.6	134	175.4	-68.4	-168.4	66.8	93.5	4	112.6	Y550 D612 N613 I614	Y550-R610 HydrophobicContact CD1-CG 4.38Å; Y550-R610 VanDerWaalsContact CD2-CZ 3.46Å; Y550-R610 HydrophobicContact CE1-CG 4.07Å; Y550-R610 HydrophobicContact CE2-CG 4.5Å; R610-D612 IonicContact CZ-OD2 3.99Å; R610-D612 VanDerWaalsContact CZ-OD2 3.23Å; R610-D612 IonicContact NE-OD2 3.04Å; R610-D612 PolarHBondContact NE-OD2 2.82Å; R610-D612 IonicContact NH2-OD1 3.88Å; R610-D612 IonicContact NH2-OD2 2.82Å; R610-D612 PolarHBondContact NH2-OD2 3.17Å; R610-N613 HydrophobicContact CB-CB 4.29Å; R610-N613 PolarHBondContact O-N 3.31Å; R610-I614 WeakPolarHBondContact O-CG1 3.26Å; R610-I614 PolarHBondContact O-N 3.26Å
611	L	94.7	Very high	79.1	Confident	7 Å²	7	48.3 Å²	48.3	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-47.5	179.9	-177	58.3	0	0	0	111.3	F400 I401 F404 L546 Y550 N613 I614 L615	F400-L611 HydrophobicContact CD1-CD1 4.39Å; F400-L611 HydrophobicContact CE1-CD1 3.52Å; F400-L611 HydrophobicContact CZ-CD1 3.77Å; I401-L611 HydrophobicContact CG1-CD1 4.21Å; I401-L611 HydrophobicContact CG2-CD2 4.34Å; F404-L611 HydrophobicContact CB-CD1 4.18Å; F404-L611 HydrophobicContact CD1-CB 3.93Å; F404-L611 HydrophobicContact CD1-CD1 4.41Å; F404-L611 HydrophobicContact CD1-CD2 4.34Å; F404-L611 HydrophobicContact CD1-CG 4.46Å; F404-L611 HydrophobicContact CD2-CB 4.44Å; F404-L611 HydrophobicContact CD2-CD1 4.25Å; F404-L611 HydrophobicContact CE1-CB 3.88Å; F404-L611 HydrophobicContact CE2-CB 4.37Å; F404-L611 HydrophobicContact CG-CB 4.26Å; F404-L611 HydrophobicContact CG-CD1 4.01Å; F404-L611 HydrophobicContact CZ-CB 4.12Å; L546-L611 HydrophobicContact CD1-CD2 3.83Å; Y550-L611 PolarHBondContact OH-N 3.21Å; L611-N613 VanDerWaalsContact C-N 3.28Å; L611-N613 PolarHBondContact O-N 2.92Å; L611-I614 WeakPolarHBondContact O-CB 3.28Å; L611-I614 PolarHBondContact O-N 3.09Å; L611-I614 VanDerWaalsContact O-N 3.08Å; L611-L615 HydrophobicContact CD1-CD1 4.07Å; L611-L615 HydrophobicContact CD1-CG 4.1Å; L611-L615 HydrophobicContact CG-CD1 3.89Å; L611-L615 HydrophobicContact CG-CG 4.31Å; L611-L615 WeakPolarHBondContact O-CG 3.39Å; L611-L615 PolarHBondContact O-N 2.72Å
612	D	92.5	Very high	78.7	Confident	55 Å²	55	51.8 Å²	51.8	29%	0.294	29%	0.285	S	S	.	.	H	α-helix	trans	-56.5	-38.9	179.5	-1.5	-58.6	0	0	0	112.6	R610 K616	R610-D612 IonicContact CZ-OD2 3.99Å; R610-D612 VanDerWaalsContact CZ-OD2 3.23Å; R610-D612 IonicContact NE-OD2 3.04Å; R610-D612 PolarHBondContact NE-OD2 2.82Å; R610-D612 IonicContact NH2-OD1 3.88Å; R610-D612 IonicContact NH2-OD2 2.82Å; R610-D612 PolarHBondContact NH2-OD2 3.17Å; D612-K616 WeakPolarHBondContact O-CB 3.41Å; D612-K616 WeakPolarHBondContact O-CD 3.38Å; D612-K616 WeakPolarHBondContact O-CG 3.45Å; D612-K616 PolarHBondContact O-N 3.08Å
613	N	91.1	Very high	77.9	Confident	59 Å²	59	61.1 Å²	61.1	32%	0.316	33%	0.325	S	S	.	.	H	α-helix	trans	-69.4	-37.7	178.9	-69.8	-8.3	0	0	0	111.7	R610 L611 I617	R610-N613 HydrophobicContact CB-CB 4.29Å; R610-N613 PolarHBondContact O-N 3.31Å; L611-N613 VanDerWaalsContact C-N 3.28Å; L611-N613 PolarHBondContact O-N 2.92Å; N613-I617 PolarHBondContact O-N 3.34Å
614	I	91.3	Very high	77	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-68	-43.8	176.4	-64.2	164.1	0	0	0	110.7	I391 F400 F404 W592 V594 H608 R610 L611 I617 V631	I391-I614 HydrophobicContact CD1-CG2 3.91Å; F400-I614 HydrophobicContact CE1-CB 4.37Å; F400-I614 HydrophobicContact CE1-CG2 3.61Å; F400-I614 HydrophobicContact CZ-CB 4.25Å; F400-I614 HydrophobicContact CZ-CD1 3.83Å; F400-I614 HydrophobicContact CZ-CG2 3.65Å; F404-I614 HydrophobicContact CD2-CD1 4.44Å; F404-I614 HydrophobicContact CE2-CD1 4.16Å; W592-I614 HydrophobicContact CB-CD1 3.85Å; W592-I614 HydrophobicContact CG-CD1 4.26Å; V594-I614 HydrophobicContact CG2-CG1 4.24Å; V594-I614 HydrophobicContact CG2-CG2 4.35Å; H608-I614 HydrophobicContact CB-CD1 4.15Å; H608-I614 HydrophobicContact CB-CG1 3.71Å; R610-I614 WeakPolarHBondContact O-CG1 3.26Å; R610-I614 PolarHBondContact O-N 3.26Å; L611-I614 WeakPolarHBondContact O-CB 3.28Å; L611-I614 PolarHBondContact O-N 3.09Å; L611-I614 VanDerWaalsContact O-N 3.08Å; I614-I617 PolarHBondContact O-N 3.36Å; I614-V631 HydrophobicContact CG2-CG1 3.75Å
615	L	89.3	Confident	75.5	Confident	32 Å²	32	65.6 Å²	65.6	17%	0.168	35%	0.352	C	S	.	.	H	α-helix	trans	-69.1	-36.3	179.3	-64.8	178.6	0	0	0	112.3	R397 F400 I401 L611 I617 V618 Q619	R397-L615 HydrophobicContact CG-CD2 4.13Å; F400-L615 HydrophobicContact CE1-CD2 4.34Å; I401-L615 HydrophobicContact CD1-CD1 4.23Å; I401-L615 HydrophobicContact CD1-CD2 4.24Å; I401-L615 HydrophobicContact CG1-CD1 4.31Å; I401-L615 HydrophobicContact CG1-CD2 4.28Å; L611-L615 HydrophobicContact CD1-CD1 4.07Å; L611-L615 HydrophobicContact CD1-CG 4.1Å; L611-L615 HydrophobicContact CG-CD1 3.89Å; L611-L615 HydrophobicContact CG-CG 4.31Å; L611-L615 WeakPolarHBondContact O-CG 3.39Å; L611-L615 PolarHBondContact O-N 2.72Å; L615-I617 VanDerWaalsContact C-N 3.31Å; L615-I617 PolarHBondContact O-N 3.48Å; L615-V618 PolarHBondContact O-N 2.83Å; L615-Q619 WeakPolarHBondContact O-CG 2.95Å; L615-Q619 PolarHBondContact O-N 3.33Å
616	K	85.2	Confident	73.9	Confident	123 Å²	123	72.5 Å²	72.5	54%	0.535	38%	0.383	S	S	.	.	H	α-helix	trans	-58.1	-37.5	174.9	-80.1	166.6	-173.7	173.8	0	113.3	D612 V618 Q619 G620	D612-K616 WeakPolarHBondContact O-CB 3.41Å; D612-K616 WeakPolarHBondContact O-CD 3.38Å; D612-K616 WeakPolarHBondContact O-CG 3.45Å; D612-K616 PolarHBondContact O-N 3.08Å; K616-V618 PolarHBondContact O-N 3.22Å; K616-Q619 PolarHBondContact O-N 2.82Å; K616-G620 PolarHBondContact O-N 3.16Å
617	I	77.6	Confident	72.3	Confident	46 Å²	46	71.3 Å²	71.3	24%	0.236	38%	0.378	C	S	.	.	H	α-helix	trans	-59.5	-36	175.9	-68.7	165.4	0	0	0	111.1	V594 V606 N613 I614 L615 Y629	V594-I617 HydrophobicContact CG1-CD1 4.32Å; V594-I617 HydrophobicContact CG1-CG2 4.37Å; V594-I617 HydrophobicContact CG2-CD1 4.12Å; V606-I617 HydrophobicContact CG2-CD1 3.99Å; N613-I617 PolarHBondContact O-N 3.34Å; I614-I617 PolarHBondContact O-N 3.36Å; L615-I617 VanDerWaalsContact C-N 3.31Å; L615-I617 PolarHBondContact O-N 3.48Å; I617-Y629 HydrophobicContact CG2-CD1 4.42Å; I617-Y629 HydrophobicContact CG2-CE1 4.16Å; I617-Y629 HydrophobicContact CG2-CE2 4.39Å
618	V	67.8	Low	71.5	Confident	14 Å²	14	78.2 Å²	78.2	9%	0.085	40%	0.403	C	S	.	.	H	α-helix	trans	-82	-43.7	-179.2	-174.2	0	0	0	0	110.5	I391 L615 K616 G620 S621	I391-V618 HydrophobicContact CB-CG1 4.49Å; I391-V618 HydrophobicContact CB-CG2 3.82Å; I391-V618 HydrophobicContact CD1-CG2 3.76Å; I391-V618 HydrophobicContact CG1-CG2 4.38Å; I391-V618 HydrophobicContact CG2-CB 4.47Å; I391-V618 HydrophobicContact CG2-CG1 4.31Å; I391-V618 HydrophobicContact CG2-CG2 3.82Å; L615-V618 PolarHBondContact O-N 2.83Å; K616-V618 PolarHBondContact O-N 3.22Å; V618-G620 VanDerWaalsContact C-N 3.28Å; V618-G620 PolarHBondContact O-N 3.42Å; V618-S621 WeakPolarHBondContact O-CA 3.41Å; V618-S621 WeakPolarHBondContact O-CB 3.46Å; V618-S621 PolarHBondContact O-N 3.23Å; V618-S621 PolarHBondContact O-OG 3.22Å
619	Q	66.8	Low	71.1	Confident	133 Å²	133	78 Å²	78	62%	0.621	40%	0.4	S	S	*	.	H	α-helix	trans	-59.5	-38	175.4	-70.8	173.3	-16.7	0	0	112.5	L615 K616 S621 V622	L615-Q619 WeakPolarHBondContact O-CG 2.95Å; L615-Q619 PolarHBondContact O-N 3.33Å; K616-Q619 PolarHBondContact O-N 2.82Å; Q619-S621 PolarHBondContact O-N 3.42Å; Q619-V622 WeakPolarHBondContact O-CG2 3.43Å; Q619-V622 PolarHBondContact O-N 2.93Å
620	G	57.1	Low	71	Confident	66 Å²	66	76.5 Å²	76.5	68%	0.68	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.3	172.9	0	0	0	0	0	115.1	K616 V618	K616-G620 PolarHBondContact O-N 3.16Å; V618-G620 VanDerWaalsContact C-N 3.28Å; V618-G620 PolarHBondContact O-N 3.42Å
621	S	54.2	Low	70.9	Confident	20 Å²	20	72.5 Å²	72.5	14%	0.14	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-2.6	-179.4	70.4	0	0	0	0	114.7	V618 Q619 F623 L624	V618-S621 WeakPolarHBondContact O-CA 3.41Å; V618-S621 WeakPolarHBondContact O-CB 3.46Å; V618-S621 PolarHBondContact O-N 3.23Å; V618-S621 PolarHBondContact O-OG 3.22Å; Q619-S621 PolarHBondContact O-N 3.42Å; S621-F623 PolarHBondContact O-N 3.47Å; S621-F623 VanDerWaalsContact O-N 3.07Å; S621-L624 PolarHBondContact O-N 2.82Å
622	V	46	Very low	71	Confident	112 Å²	112	72.3 Å²	72.3	68%	0.679	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-27.1	-173.2	173.5	0	0	0	0	113.5	Q619	Q619-V622 WeakPolarHBondContact O-CG2 3.43Å; Q619-V622 PolarHBondContact O-N 2.93Å
623	F	42.3	Very low	71.3	Confident	199 Å²	199	69.8 Å²	69.8	87%	0.873	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	2.3	175.5	-68.4	-78.4	0	0	0	114.8	S621	S621-F623 PolarHBondContact O-N 3.47Å; S621-F623 VanDerWaalsContact O-N 3.07Å
624	L	44.4	Very low	71.6	Confident	106 Å²	106	67.3 Å²	67.3	56%	0.555	35%	0.349	S	S	*	.			trans	-120.2	106.2	179.3	-67.7	176.4	0	0	0	110.8	S621 E626	S621-L624 PolarHBondContact O-N 2.82Å; L624-E626 PolarHBondContact O-N 3.24Å
625	T	42.8	Very low	71.9	Confident	150 Å²	150	67.6 Å²	67.6	92%	0.92	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	4	176	47.3	0	0	0	0	114.6
626	E	47.5	Very low	72.3	Confident	168 Å²	168	66.4 Å²	66.4	79%	0.785	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-2.6	-159.6	-57.2	-168	146.5	0	0	115.2	L624	L624-E626 PolarHBondContact O-N 3.24Å
627	S	54.6	Low	72.8	Confident	34 Å²	34	66 Å²	66	24%	0.238	34%	0.339	C	S	.	.			trans	-139.9	91	-176.6	59.1	0	0	0	0	115.2	Y629	S627-Y629 WeakPolarHBondContact O-CD2 3.48Å; S627-Y629 PolarHBondContact O-N 3.36Å; S627-Y629 WeakPolarHBondContact OG-CE2 3.21Å
628	R	75.3	Confident	73.7	Confident	155 Å²	155	64 Å²	64	59%	0.585	33%	0.329	S	S	*	.			trans	-65	111.7	159.3	-64.8	-177.5	-176.6	139.3	4.7	109	V364 G597	V364-R628 HydrophobicContact CG2-CB 4.27Å; G597-R628 VanDerWaalsContact CA-O 3.29Å; G597-R628 WeakPolarHBondContact CA-O 3.32Å; G597-R628 PolarHBondContact N-O 2.59Å
629	Y	84.2	Confident	75.1	Confident	41 Å²	41	63.8 Å²	63.8	16%	0.161	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	146.9	172.2	-81.9	-89.8	0	0	0	111.3	I391 V594 P596 I617 S627	I391-Y629 PolarHBondContact N-O 2.87Å; I391-Y629 VanDerWaalsContact N-O 3.16Å; V594-Y629 HydrophobicContact CG1-CD1 3.72Å; V594-Y629 HydrophobicContact CG1-CE1 4.24Å; P596-Y629 HydrophobicContact CB-CD1 4.16Å; P596-Y629 HydrophobicContact CB-CE1 3.8Å; P596-Y629 HydrophobicContact CG-CE1 4.36Å; I617-Y629 HydrophobicContact CG2-CD1 4.42Å; I617-Y629 HydrophobicContact CG2-CE1 4.16Å; I617-Y629 HydrophobicContact CG2-CE2 4.39Å; S627-Y629 WeakPolarHBondContact O-CD2 3.48Å; S627-Y629 PolarHBondContact O-N 3.36Å; S627-Y629 WeakPolarHBondContact OG-CE2 3.21Å
630	I	91	Very high	76.6	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	156.2	161.5	65.6	152.7	0	0	0	110.6	K363 V364 C388 F389 I390 V594 K595	K363-I630 HydrophobicContact CB-CD1 3.79Å; K363-I630 HydrophobicContact CB-CG1 4.2Å; K363-I630 HydrophobicContact CD-CD1 4.14Å; K363-I630 HydrophobicContact CG-CD1 4.41Å; V364-I630 HydrophobicContact CG2-CG2 3.94Å; C388-I630 WeakPolarHBondContact SG-CD1 3.38Å; F389-I630 CarbonylContact O-C 3.59Å; F389-I630 WeakPolarHBondContact O-CA 3.25Å; F389-I630 WeakPolarHBondContact O-CB 3.16Å; I390-I630 HydrophobicContact CG1-CG2 4.01Å; V594-I630 WeakPolarHBondContact CA-O 3.37Å; K595-I630 HydrophobicContact CB-CD1 4.15Å; K595-I630 HydrophobicContact CB-CG1 3.78Å; K595-I630 HydrophobicContact CD-CD1 4.21Å; K595-I630 PolarHBondContact N-O 2.91Å; K595-I630 WeakPolarHBondContact O-CG1 3.38Å; K595-I630 PolarHBondContact O-N 2.94Å
631	V	94.3	Very high	78.5	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	141.9	154.7	-85.3	0	0	0	0	109.9	C388 F389 I391 F400 W592 V594 I614	C388-V631 CarbonylContact C-O 3.44Å; C388-V631 VanDerWaalsContact CA-O 3.29Å; C388-V631 WeakPolarHBondContact CA-O 3.46Å; F389-V631 HydrophobicContact CB-CG2 4.17Å; F389-V631 PolarHBondContact N-O 2.8Å; F389-V631 PolarHBondContact O-N 2.7Å; I391-V631 HydrophobicContact CD1-CB 4.18Å; I391-V631 HydrophobicContact CD1-CG1 3.7Å; I391-V631 HydrophobicContact CD1-CG2 3.65Å; I391-V631 HydrophobicContact CG1-CG2 3.72Å; F400-V631 HydrophobicContact CB-CG2 4.48Å; F400-V631 HydrophobicContact CD1-CG2 4.19Å; F400-V631 HydrophobicContact CD2-CG2 3.59Å; F400-V631 HydrophobicContact CE1-CG2 4.41Å; F400-V631 HydrophobicContact CE2-CG2 3.85Å; F400-V631 HydrophobicContact CG-CG2 3.79Å; F400-V631 HydrophobicContact CZ-CG2 4.27Å; W592-V631 HydrophobicContact CE3-CB 4.27Å; W592-V631 HydrophobicContact CE3-CG2 4.48Å; V594-V631 HydrophobicContact CB-CG1 4.13Å; V594-V631 HydrophobicContact CG1-CG1 4.34Å; V594-V631 HydrophobicContact CG2-CG1 3.68Å; I614-V631 HydrophobicContact CG2-CG1 3.75Å
632	Q	96.3	Very high	80.5	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.019	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.1	174.2	-177.9	170.8	42.3	0	0	108.4	P386 R387 C388 W592 I593 Y634	P386-Q632 HydrophobicContact CB-CG 3.82Å; P386-Q632 WeakPolarHBondContact O-CG 3.29Å; P386-Q632 PolarHBondContact O-NE2 2.88Å; R387-Q632 CarbonylContact O-C 3.59Å; R387-Q632 VanDerWaalsContact O-CA 3.32Å; R387-Q632 WeakPolarHBondContact O-CA 3.46Å; C388-Q632 HydrophobicContact CB-CB 4.32Å; C388-Q632 HydrophobicContact CB-CG 4.28Å; W592-Q632 VanDerWaalsContact CE3-C 3.43Å; I593-Q632 HydrophobicContact CG2-CB 4.03Å; I593-Q632 VanDerWaalsContact CG2-O 3.32Å; I593-Q632 WeakPolarHBondContact CG2-O 3.31Å; I593-Q632 PolarHBondContact N-O 3.3Å; I593-Q632 PolarHBondContact O-N 3.43Å; I593-Q632 VanDerWaalsContact O-N 3.08Å; Q632-Y634 PolarHBondContact O-N 2.8Å
633	K	97.7	Very high	83	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	129.1	175.7	-178.8	70.1	-174.8	76.2	0	108.9	R387 M585 D586 V591 W592 E636	R387-K633 HydrophobicContact CG-CB 4.06Å; R387-K633 PolarHBondContact O-N 3.01Å; M585-K633 HydrophobicContact CE-CB 4.29Å; M585-K633 HydrophobicContact CE-CG 3.86Å; D586-K633 PolarHBondContact O-NZ 2.75Å; D586-K633 WeakPolarHBondContact OD1-CG 3.42Å; V591-K633 PolarHBondContact O-NZ 2.7Å; W592-K633 HydrophobicContact CD2-CB 4.49Å; W592-K633 HydrophobicContact CD2-CD 4.12Å; W592-K633 HydrophobicContact CE3-CB 4.11Å; W592-K633 VanDerWaalsContact CE3-N 3.32Å; W592-K633 HydrophobicContact CH2-CB 3.98Å; W592-K633 HydrophobicContact CH2-CD 4.19Å; W592-K633 HydrophobicContact CZ2-CB 4.39Å; W592-K633 HydrophobicContact CZ2-CD 3.71Å; W592-K633 HydrophobicContact CZ3-CB 3.84Å; K633-E636 IonicContact NZ-OE1 3.79Å; K633-E636 PolarHBondContact NZ-OE1 3.49Å
634	Y	97.8	Very high	85.6	Confident	7 Å²	7	49.9 Å²	49.9	3%	0.027	24%	0.235	C	C	.	.			trans	-77.2	138.1	176.2	-176	-93.6	0	0	0	110.1	V591 I593 Q632 E636 K645 F677 L679 H687	V591-Y634 HydrophobicContact CB-CD1 4.13Å; V591-Y634 HydrophobicContact CB-CG 4.33Å; V591-Y634 HydrophobicContact CG1-CD1 4Å; V591-Y634 HydrophobicContact CG1-CG 3.94Å; V591-Y634 VanDerWaalsContact O-CB 3.26Å; V591-Y634 WeakPolarHBondContact O-CB 3.47Å; V591-Y634 PolarHBondContact O-N 2.74Å; I593-Y634 HydrophobicContact CB-CD2 4.14Å; I593-Y634 HydrophobicContact CD1-CD2 4.21Å; I593-Y634 HydrophobicContact CG2-CD2 4.39Å; Q632-Y634 PolarHBondContact O-N 2.8Å; Y634-E636 HydrophobicContact CD1-CG 4.19Å; Y634-E636 PolarHBondContact O-N 2.78Å; Y634-K645 PolarHBondContact OH-NZ 3.37Å; Y634-F677 HydrophobicContact CE1-CE2 4.43Å; Y634-F677 HydrophobicContact CE1-CZ 4.19Å; Y634-F677 WeakPolarHBondContact OH-CE2 3.4Å; Y634-L679 HydrophobicContact CD1-CD2 4.43Å; Y634-L679 HydrophobicContact CE1-CD2 4Å; Y634-H687 AromaticContact CE1-ND1 3.97Å; Y634-H687 AromaticContact CE2-ND1 3.86Å; Y634-H687 AromaticContact CZ-ND1 3.33Å; Y634-H687 VanDerWaalsContact CZ-ND1 3.33Å; Y634-H687 PolarHBondContact OH-ND1 2.8Å
635	I	97.5	Very high	88.2	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.026	21%	0.211	C	C	.	.			trans	-77.5	98.1	176.5	-57.9	-177.5	0	0	0	107.9	P386 M585 P638 L768 T770 W777 I779	P386-I635 HydrophobicContact CG-CD1 3.95Å; P386-I635 HydrophobicContact CG-CG1 4.13Å; M585-I635 HydrophobicContact CB-CG2 4.24Å; M585-I635 HydrophobicContact CE-CB 4.49Å; M585-I635 HydrophobicContact CE-CG1 3.77Å; M585-I635 HydrophobicContact SD-CG1 4.14Å; I635-P638 HydrophobicContact CG2-CB 4.29Å; I635-L768 HydrophobicContact CD1-CB 3.82Å; I635-L768 HydrophobicContact CD1-CD1 3.91Å; I635-L768 HydrophobicContact CD1-CG 4.48Å; I635-T770 HydrophobicContact CG2-CG2 4.28Å; I635-W777 HydrophobicContact CD1-CB 3.57Å; I635-W777 HydrophobicContact CD1-CG 3.73Å; I635-I779 HydrophobicContact CD1-CD1 3.86Å
636	E	97.3	Very high	90.8	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.037	17%	0.167	C	C	.	.	S	Bend	trans	-76.5	-24.2	-177.1	-76	174.6	-142.3	0	0	112.9	M585 G587 V588 R589 N590 V591 K633 Y634 P638 L679	M585-E636 PolarHBondContact O-N 3.47Å; G587-E636 WeakPolarHBondContact CA-OE2 3.41Å; V588-E636 PolarHBondContact N-OE2 3.49Å; R589-E636 WeakPolarHBondContact CB-OE2 3.38Å; R589-E636 PolarHBondContact N-OE2 2.96Å; N590-E636 WeakPolarHBondContact CA-OE1 3.4Å; N590-E636 PolarHBondContact N-OE1 2.87Å; V591-E636 HydrophobicContact CB-CG 4.17Å; V591-E636 HydrophobicContact CG2-CG 4.03Å; V591-E636 PolarHBondContact N-OE1 2.88Å; K633-E636 IonicContact NZ-OE1 3.79Å; K633-E636 PolarHBondContact NZ-OE1 3.49Å; Y634-E636 HydrophobicContact CD1-CG 4.19Å; Y634-E636 PolarHBondContact O-N 2.78Å; E636-P638 VanDerWaalsContact O-CD 3.23Å; E636-P638 WeakPolarHBondContact O-CD 3.13Å; E636-L679 HydrophobicContact CB-CD1 3.99Å; E636-L679 HydrophobicContact CG-CD1 4.05Å; E636-L679 HydrophobicContact CG-CD2 4.32Å
637	R	96.2	Very high	93.2	Very high	113 Å²	113	30.8 Å²	30.8	43%	0.426	13%	0.133	S	C	.	.	S	Bend	trans	-116.6	59.6	179.6	-57	-168	67.3	143.9	6.7	112.6	D584 T770 D771 N772	D584-R637 WeakPolarHBondContact O-CD 3.2Å; R637-T770 WeakPolarHBondContact O-CA 3.37Å; R637-D771 IonicContact CZ-OD2 3.89Å; R637-D771 IonicContact NE-OD1 3.21Å; R637-D771 IonicContact NE-OD2 2.7Å; R637-D771 PolarHBondContact NE-OD2 3.14Å; R637-D771 IonicContact NH2-OD2 3.06Å; R637-D771 PolarHBondContact NH2-OD2 3.16Å; R637-D771 PolarHBondContact O-N 3.45Å; R637-N772 PolarHBondContact NH2-ND2 2.86Å
638	P	97.3	Very high	95.2	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.026	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-66.7	153.6	175.1	32.7	-34.9	0	0	0	110	I635 E636 L640 K645 F677 L768 L769	I635-P638 HydrophobicContact CG2-CB 4.29Å; E636-P638 VanDerWaalsContact O-CD 3.23Å; E636-P638 WeakPolarHBondContact O-CD 3.13Å; P638-L640 HydrophobicContact CG-CD2 3.94Å; P638-L640 PolarHBondContact O-N 3.33Å; P638-K645 HydrophobicContact CG-CG 4.49Å; P638-F677 HydrophobicContact CG-CD1 4.18Å; P638-F677 HydrophobicContact CG-CE1 3.8Å; P638-F677 HydrophobicContact CG-CE2 4.23Å; P638-F677 HydrophobicContact CG-CZ 3.83Å; P638-L768 HydrophobicContact CB-CD2 4.26Å; P638-L769 CarbonylContact C-O 3.55Å; P638-L769 VanDerWaalsContact CA-O 3.3Å; P638-L769 WeakPolarHBondContact CA-O 3.32Å
639	L	97.4	Very high	96.3	Very high	11 Å²	11	22.4 Å²	22.4	6%	0.058	10%	0.096	C	C	.	.			trans	-63	127.3	165.5	-177.6	62.8	0	0	0	108.7	F646 F717 W720 L769 Y774	L639-F646 HydrophobicContact CB-CE1 4.28Å; L639-F646 HydrophobicContact CD2-CE1 4.34Å; L639-F646 HydrophobicContact CD2-CZ 4.12Å; L639-F646 HydrophobicContact CG-CE1 4.16Å; L639-F646 HydrophobicContact CG-CZ 4.43Å; L639-F646 VanDerWaalsContact O-CE1 3.32Å; L639-F646 WeakPolarHBondContact O-CE1 3.37Å; L639-F717 HydrophobicContact CD2-CE2 4.46Å; L639-F717 HydrophobicContact CD2-CZ 4.35Å; L639-W720 HydrophobicContact CD1-CH2 4.26Å; L639-W720 HydrophobicContact CD2-CZ3 4.34Å; L639-L769 HydrophobicContact CB-CB 3.83Å; L639-L769 HydrophobicContact CD2-CB 3.97Å; L639-L769 HydrophobicContact CD2-CD2 4.17Å; L639-L769 PolarHBondContact N-O 2.87Å; L639-Y774 HydrophobicContact CD1-CD1 4.33Å; L639-Y774 HydrophobicContact CD1-CE1 3.9Å; L639-Y774 HydrophobicContact CD2-CD1 3.69Å; L639-Y774 HydrophobicContact CD2-CE1 3.78Å
640	L	97.5	Very high	97	Very high	57 Å²	57	20.5 Å²	20.5	30%	0.298	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.4	-178.9	-60.4	178.7	0	0	0	110.5	P638 K645 F677	P638-L640 HydrophobicContact CG-CD2 3.94Å; P638-L640 PolarHBondContact O-N 3.33Å; L640-K645 HydrophobicContact CD2-CB 4.19Å; L640-F677 HydrophobicContact CD1-CB 4.01Å; L640-F677 HydrophobicContact CD1-CD1 3.92Å; L640-F677 HydrophobicContact CD1-CG 4.37Å; L640-F677 HydrophobicContact CD2-CB 3.53Å; L640-F677 HydrophobicContact CD2-CD1 3.89Å; L640-F677 HydrophobicContact CD2-CG 3.76Å; L640-F677 HydrophobicContact CG-CB 4.44Å; L640-F677 HydrophobicContact CG-CD1 4.45Å
641	I	97.3	Very high	97.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116	171.4	-66.4	167.7	0	0	0	106.4	K643 T644 F646 L670 F672 L706 W712 F717 W720	I641-K643 VanDerWaalsContact C-N 3.31Å; I641-K643 PolarHBondContact O-N 3.19Å; I641-T644 PolarHBondContact N-O 3.4Å; I641-T644 WeakPolarHBondContact O-CB 3.17Å; I641-T644 PolarHBondContact O-N 3.42Å; I641-F646 HydrophobicContact CB-CD1 4.4Å; I641-F646 HydrophobicContact CD1-CD1 3.66Å; I641-F646 HydrophobicContact CD1-CD2 4.46Å; I641-F646 HydrophobicContact CD1-CE1 3.41Å; I641-F646 VanDerWaalsContact CD1-CE1 3.41Å; I641-F646 HydrophobicContact CD1-CE2 4.24Å; I641-F646 HydrophobicContact CD1-CG 4.19Å; I641-F646 HydrophobicContact CD1-CZ 3.71Å; I641-F646 HydrophobicContact CG1-CD1 3.93Å; I641-F646 HydrophobicContact CG1-CE1 3.63Å; I641-F646 HydrophobicContact CG1-CZ 4.33Å; I641-L670 HydrophobicContact CD1-CD2 3.86Å; I641-F672 HydrophobicContact CB-CE1 3.99Å; I641-F672 HydrophobicContact CD1-CE1 4.03Å; I641-F672 HydrophobicContact CD1-CZ 4.21Å; I641-F672 HydrophobicContact CG2-CE1 4.13Å; I641-F672 HydrophobicContact CG2-CZ 4.45Å; I641-L706 HydrophobicContact CG2-CD2 4.07Å; I641-W712 HydrophobicContact CD1-CE3 4.28Å; I641-W712 HydrophobicContact CD1-CZ3 3.94Å; I641-W712 HydrophobicContact CG2-CH2 3.64Å; I641-W712 HydrophobicContact CG2-CZ3 3.68Å; I641-F717 HydrophobicContact CD1-CD2 3.8Å; I641-F717 HydrophobicContact CD1-CE2 3.92Å; I641-W720 HydrophobicContact CD1-CD2 4.48Å; I641-W720 HydrophobicContact CD1-CE3 4.31Å; I641-W720 HydrophobicContact CG1-CD2 4.1Å; I641-W720 HydrophobicContact CG1-CE3 4.11Å; I641-W720 HydrophobicContact CG1-CH2 3.95Å; I641-W720 HydrophobicContact CG1-CZ2 3.94Å; I641-W720 HydrophobicContact CG1-CZ3 4.04Å
642	Y	96.9	Very high	97.5	Very high	58 Å²	58	20.4 Å²	20.4	23%	0.227	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	53.4	-172.7	-45	-57.9	0	0	0	112.2	T644 K705 L706 W712 W720	Y642-T644 PolarHBondContact O-N 3.13Å; Y642-T644 PolarHBondContact O-OG1 3.08Å; Y642-K705 HydrophobicContact CD2-CB 3.87Å; Y642-K705 HydrophobicContact CE1-CB 4.45Å; Y642-K705 HydrophobicContact CE1-CD 3.85Å; Y642-K705 HydrophobicContact CE2-CB 3.41Å; Y642-K705 VanDerWaalsContact CE2-CB 3.41Å; Y642-K705 HydrophobicContact CE2-CD 4.21Å; Y642-K705 HydrophobicContact CE2-CG 4.46Å; Y642-L706 HydrophobicContact CD2-CD2 3.82Å; Y642-L706 HydrophobicContact CD2-CG 3.92Å; Y642-L706 HydrophobicContact CE2-CD2 4.5Å; Y642-W712 AromaticContact CE2-CH2 3.8Å; Y642-W712 HydrophobicContact CE2-CH2 3.8Å; Y642-W712 HydrophobicContact CE2-CZ2 4.01Å; Y642-W720 AromaticContact CE1-NE1 3.99Å; Y642-W720 AromaticContact CZ-CD1 3.86Å; Y642-W720 AromaticContact CZ-NE1 3.89Å
643	K	96.8	Very high	97.6	Very high	122 Å²	122	20.2 Å²	20.2	53%	0.53	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	0.6	-173.3	-56.5	163	169.2	179.9	0	116.6	I641 E676 F677	I641-K643 VanDerWaalsContact C-N 3.31Å; I641-K643 PolarHBondContact O-N 3.19Å; K643-E676 HydrophobicContact CB-CB 4.46Å; K643-E676 HydrophobicContact CB-CG 4.38Å; K643-E676 HydrophobicContact CD-CG 4.36Å; K643-E676 WeakPolarHBondContact CD-OE1 3.42Å; K643-E676 WeakPolarHBondContact CD-OE2 3.36Å; K643-E676 IonicContact NZ-OE1 3.79Å; K643-E676 PolarHBondContact NZ-OE1 3.5Å; K643-E676 IonicContact NZ-OE2 2.74Å; K643-E676 PolarHBondContact NZ-OE2 3.16Å; K643-F677 VanDerWaalsContact O-CB 3.28Å; K643-F677 WeakPolarHBondContact O-CB 3.46Å; K643-F677 PolarHBondContact O-N 3.18Å
644	T	97.9	Very high	97.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	134	-175.4	-58.4	0	0	0	0	109.9	I641 Y642 F672 C673 L706	I641-T644 PolarHBondContact N-O 3.4Å; I641-T644 WeakPolarHBondContact O-CB 3.17Å; I641-T644 PolarHBondContact O-N 3.42Å; Y642-T644 PolarHBondContact O-N 3.13Å; Y642-T644 PolarHBondContact O-OG1 3.08Å; T644-F672 HydrophobicContact CG2-CB 4.23Å; T644-F672 HydrophobicContact CG2-CD1 4.25Å; T644-C673 HydrophobicContact CG2-CB 4.27Å; T644-C673 WeakPolarHBondContact CG2-O 3.26Å; T644-L706 HydrophobicContact CG2-CD1 3.96Å; T644-L706 WeakPolarHBondContact OG1-CD1 3.44Å
645	K	97.9	Very high	97.5	Very high	10 Å²	10	21.4 Å²	21.4	4%	0.043	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	139.2	175.3	-177.9	-174.5	175	-175.9	0	109.9	Y634 P638 L640 C673 F677 H687	Y634-K645 PolarHBondContact OH-NZ 3.37Å; P638-K645 HydrophobicContact CG-CG 4.49Å; L640-K645 HydrophobicContact CD2-CB 4.19Å; K645-C673 PolarHBondContact O-N 2.87Å; K645-C673 PolarHBondContact O-SG 2.94Å; K645-F677 HydrophobicContact CB-CB 4.35Å; K645-F677 HydrophobicContact CB-CD2 3.95Å; K645-F677 HydrophobicContact CB-CG 4.39Å; K645-F677 HydrophobicContact CD-CD2 4.16Å; K645-F677 HydrophobicContact CD-CE2 4.18Å; K645-H687 PolarHBondContact NZ-O 3.25Å
646	F	97.9	Very high	97.3	Very high	1 Å²	1	22.7 Å²	22.7	0%	0.004	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	165.6	173.8	73.9	-81.5	0	0	0	111.5	L639 I641 I648 L670 R671 F672 C689 F717 L768 L769	L639-F646 HydrophobicContact CB-CE1 4.28Å; L639-F646 HydrophobicContact CD2-CE1 4.34Å; L639-F646 HydrophobicContact CD2-CZ 4.12Å; L639-F646 HydrophobicContact CG-CE1 4.16Å; L639-F646 HydrophobicContact CG-CZ 4.43Å; L639-F646 VanDerWaalsContact O-CE1 3.32Å; L639-F646 WeakPolarHBondContact O-CE1 3.37Å; I641-F646 HydrophobicContact CB-CD1 4.4Å; I641-F646 HydrophobicContact CD1-CD1 3.66Å; I641-F646 HydrophobicContact CD1-CD2 4.46Å; I641-F646 HydrophobicContact CD1-CE1 3.41Å; I641-F646 VanDerWaalsContact CD1-CE1 3.41Å; I641-F646 HydrophobicContact CD1-CE2 4.24Å; I641-F646 HydrophobicContact CD1-CG 4.19Å; I641-F646 HydrophobicContact CD1-CZ 3.71Å; I641-F646 HydrophobicContact CG1-CD1 3.93Å; I641-F646 HydrophobicContact CG1-CE1 3.63Å; I641-F646 HydrophobicContact CG1-CZ 4.33Å; F646-I648 HydrophobicContact CD2-CG1 4.43Å; F646-I648 HydrophobicContact CE2-CD1 4.44Å; F646-I648 HydrophobicContact CE2-CG1 4.05Å; F646-L670 HydrophobicContact CD2-CB 4.2Å; F646-L670 HydrophobicContact CD2-CD2 3.5Å; F646-L670 VanDerWaalsContact CD2-CD2 3.5Å; F646-L670 HydrophobicContact CD2-CG 3.64Å; F646-L670 HydrophobicContact CE2-CD2 3.55Å; F646-L670 HydrophobicContact CE2-CG 3.87Å; F646-L670 HydrophobicContact CG-CD2 4.22Å; F646-L670 HydrophobicContact CZ-CD2 4.33Å; F646-R671 CarbonylContact C-O 3.36Å; F646-R671 WeakPolarHBondContact CA-O 3.29Å; F646-R671 WeakPolarHBondContact CB-O 3.49Å; F646-F672 HydrophobicContact CB-CD1 3.57Å; F646-F672 HydrophobicContact CB-CE1 3.67Å; F646-F672 HydrophobicContact CB-CG 4.29Å; F646-F672 HydrophobicContact CB-CZ 4.5Å; F646-F672 HydrophobicContact CD1-CE1 4.4Å; F646-F672 HydrophobicContact CG-CD1 4.48Å; F646-F672 HydrophobicContact CG-CE1 4.13Å; F646-C689 VanDerWaalsContact C-SG 3.59Å; F646-F717 HydrophobicContact CE2-CE2 4.44Å; F646-F717 AromaticContact CZ-CE2 3.97Å; F646-F717 HydrophobicContact CZ-CE2 3.97Å; F646-F717 HydrophobicContact CZ-CZ 4.19Å; F646-L768 WeakPolarHBondContact O-CD2 3.39Å; F646-L769 HydrophobicContact CE2-CD1 4.25Å; F646-L769 HydrophobicContact CZ-CD1 4.28Å
647	D	97.8	Very high	97.1	Very high	12 Å²	12	23 Å²	23	6%	0.064	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	169.4	161.3	66.7	18.4	0	0	0	111.3	L670 R671 C689 F767 L768	D647-L670 CarbonylContact O-C 3.54Å; D647-L670 WeakPolarHBondContact O-CA 3.34Å; D647-R671 PolarHBondContact N-O 3Å; D647-R671 PolarHBondContact O-N 3.03Å; D647-R671 IonicContact OD1-CZ 3.76Å; D647-R671 IonicContact OD1-NE 3.84Å; D647-R671 PolarHBondContact OD1-NE 3.31Å; D647-R671 IonicContact OD1-NH2 3.41Å; D647-R671 PolarHBondContact OD1-NH2 3.32Å; D647-R671 IonicContact OD2-CZ 2.66Å; D647-R671 IonicContact OD2-NE 2.8Å; D647-R671 IonicContact OD2-NH2 2.91Å; D647-R671 PolarHBondContact OD2-NH2 2.79Å; D647-C689 HydrophobicContact CB-CB 4.27Å; D647-C689 VanDerWaalsContact CG-CB 3.47Å; D647-C689 WeakPolarHBondContact OD2-CB 3.27Å; D647-F767 CarbonylContact C-O 3.58Å; D647-F767 WeakPolarHBondContact CA-O 3.44Å; D647-F767 VanDerWaalsContact CB-O 3.31Å; D647-F767 WeakPolarHBondContact CB-O 3.39Å; D647-L768 HydrophobicContact CB-CD2 4.44Å; D647-L768 HydrophobicContact CB-CG 4.32Å
648	I	97.9	Very high	96.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.8	179.4	-55.3	179.6	0	0	0	109.6	F646 C668 L670 F717 W730 M738 D766 F767 L769	F646-I648 HydrophobicContact CD2-CG1 4.43Å; F646-I648 HydrophobicContact CE2-CD1 4.44Å; F646-I648 HydrophobicContact CE2-CG1 4.05Å; I648-C668 HydrophobicContact CG2-CB 3.97Å; I648-L670 HydrophobicContact CD1-CD1 4.42Å; I648-L670 HydrophobicContact CG1-CD1 4.02Å; I648-L670 HydrophobicContact CG1-CG 4.06Å; I648-F717 HydrophobicContact CD1-CE1 4.2Å; I648-W730 HydrophobicContact CD1-CH2 4.49Å; I648-W730 HydrophobicContact CD1-CZ3 4.02Å; I648-M738 HydrophobicContact CD1-SD 4.49Å; I648-M738 HydrophobicContact CG2-CE 3.9Å; I648-D766 WeakPolarHBondContact O-CA 3.49Å; I648-F767 HydrophobicContact CB-CB 4.43Å; I648-F767 PolarHBondContact N-O 3.19Å; I648-F767 PolarHBondContact O-N 3.4Å; I648-L769 HydrophobicContact CD1-CD1 3.68Å; I648-L769 HydrophobicContact CG1-CD1 4.34Å
649	R	97.6	Very high	96.4	Very high	14 Å²	14	19.7 Å²	19.7	5%	0.053	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	112.7	168.8	167.3	54.7	61	75.8	-8.2	109.8	C668 Y669 R671 D766 N782	R649-C668 WeakPolarHBondContact O-CA 3.49Å; R649-C668 WeakPolarHBondContact O-CB 3.49Å; R649-Y669 HydrophobicContact CB-CD1 4.12Å; R649-Y669 HydrophobicContact CB-CD2 4.46Å; R649-Y669 HydrophobicContact CB-CE1 3.75Å; R649-Y669 HydrophobicContact CB-CE2 4.16Å; R649-Y669 HydrophobicContact CB-CG 4.46Å; R649-Y669 HydrophobicContact CG-CD1 4.04Å; R649-Y669 HydrophobicContact CG-CE1 3.3Å; R649-Y669 HydrophobicContact CG-CE2 4.39Å; R649-Y669 PolarHBondContact N-O 3.45Å; R649-Y669 PolarHBondContact O-N 3Å; R649-R671 VanDerWaalsContact CZ-NH1 3.33Å; R649-D766 IonicContact CZ-OD1 3.52Å; R649-D766 VanDerWaalsContact CZ-OD1 3.25Å; R649-D766 IonicContact CZ-OD2 2.69Å; R649-D766 IonicContact NE-OD1 3.49Å; R649-D766 PolarHBondContact NE-OD1 2.69Å; R649-D766 IonicContact NE-OD2 3.29Å; R649-D766 VanDerWaalsContact NH2-CG 3.29Å; R649-D766 IonicContact NH2-OD1 2.66Å; R649-D766 PolarHBondContact NH2-OD1 2.7Å; R649-D766 IonicContact NH2-OD2 3.85Å; R649-D766 PolarHBondContact NH2-OD2 2.87Å; R649-N782 PolarHBondContact NH2-ND2 2.82Å; R649-N782 VanDerWaalsContact NH2-ND2 3.14Å
650	Q	98.1	Very high	96.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.8	-179.7	174.4	61.7	69.7	0	0	111.1	W664 Y665 C668 M738 G764 A765 F767	Q650-W664 VanDerWaalsContact CD-CE2 3.45Å; Q650-W664 HydrophobicContact CG-CE3 4.41Å; Q650-W664 HydrophobicContact CG-CH2 3.4Å; Q650-W664 HydrophobicContact CG-CZ2 3.5Å; Q650-W664 VanDerWaalsContact CG-CZ2 3.5Å; Q650-W664 HydrophobicContact CG-CZ3 3.87Å; Q650-Y665 PolarHBondContact NE2-O 2.92Å; Q650-C668 HydrophobicContact CB-CB 4.28Å; Q650-M738 HydrophobicContact CB-CE 3.8Å; Q650-M738 HydrophobicContact CG-CE 4.04Å; Q650-G764 CarbonylContact O-C 3.55Å; Q650-G764 WeakPolarHBondContact O-CA 3.45Å; Q650-A765 PolarHBondContact N-O 3.04Å; Q650-A765 PolarHBondContact O-N 3.01Å; Q650-F767 HydrophobicContact CB-CD2 4.34Å; Q650-F767 HydrophobicContact CB-CE2 4.29Å
651	W	98.4	Very high	96.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	145	175.1	-67.6	-73.9	0	0	0	112.9	Y665 Y669 L762 Y763 M787 Y797 T798 V801	W651-Y665 HydrophobicContact CE3-CD1 4.01Å; W651-Y665 PolarHBondContact O-N 3.03Å; W651-Y669 AromaticContact CH2-CD1 3.7Å; W651-Y669 HydrophobicContact CH2-CD1 3.7Å; W651-Y669 AromaticContact CH2-CE1 3.47Å; W651-Y669 HydrophobicContact CH2-CE1 3.47Å; W651-Y669 VanDerWaalsContact CH2-CE1 3.47Å; W651-Y669 HydrophobicContact CZ2-CD1 4.34Å; W651-Y669 AromaticContact CZ2-CE1 3.66Å; W651-Y669 HydrophobicContact CZ2-CE1 3.66Å; W651-Y669 AromaticContact CZ3-CD1 3.95Å; W651-Y669 HydrophobicContact CZ3-CD1 3.95Å; W651-Y669 HydrophobicContact CZ3-CE1 4.1Å; W651-L762 HydrophobicContact CB-CD1 4.36Å; W651-Y763 WeakPolarHBondContact CA-O 3.37Å; W651-M787 HydrophobicContact CZ2-SD 4.29Å; W651-Y797 HydrophobicContact CZ3-CD2 4.42Å; W651-Y797 HydrophobicContact CZ3-CG 4.45Å; W651-T798 HydrophobicContact CH2-CG2 4.41Å; W651-T798 HydrophobicContact CZ2-CG2 4.08Å; W651-V801 HydrophobicContact CB-CG2 4.27Å; W651-V801 HydrophobicContact CD2-CG1 4.33Å; W651-V801 HydrophobicContact CD2-CG2 4.35Å; W651-V801 HydrophobicContact CG-CG2 4.24Å; W651-V801 HydrophobicContact CZ2-CG1 4.28Å
652	F	98.5	Very high	96.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.6	167.1	68.8	-85.5	0	0	0	110.9	I654 V662 W663 V742 L746 Y763 A765 I781	F652-I654 HydrophobicContact CD2-CG1 4.19Å; F652-I654 HydrophobicContact CE2-CD1 4.09Å; F652-I654 HydrophobicContact CE2-CG1 4.06Å; F652-V662 HydrophobicContact CD2-CG1 4.27Å; F652-W663 CarbonylContact C-O 3.5Å; F652-W663 VanDerWaalsContact CA-O 3.29Å; F652-W663 WeakPolarHBondContact CA-O 3.22Å; F652-W663 WeakPolarHBondContact CB-O 3.25Å; F652-V742 HydrophobicContact CD1-CG1 3.92Å; F652-V742 HydrophobicContact CD1-CG2 4.35Å; F652-V742 HydrophobicContact CD2-CG1 3.9Å; F652-V742 HydrophobicContact CE1-CG1 3.85Å; F652-V742 HydrophobicContact CE1-CG2 4.35Å; F652-V742 HydrophobicContact CE2-CG1 3.84Å; F652-V742 HydrophobicContact CG-CG1 3.94Å; F652-V742 HydrophobicContact CZ-CG1 3.8Å; F652-L746 HydrophobicContact CD2-CD1 4.19Å; F652-L746 HydrophobicContact CE2-CD1 3.81Å; F652-L746 HydrophobicContact CE2-CD2 4.15Å; F652-L746 HydrophobicContact CE2-CG 4.44Å; F652-Y763 HydrophobicContact CD2-CD2 4.26Å; F652-Y763 AromaticContact CE2-CD2 3.73Å; F652-Y763 HydrophobicContact CE2-CD2 3.73Å; F652-Y763 AromaticContact CE2-CG 3.99Å; F652-Y763 HydrophobicContact CE2-CG 3.99Å; F652-Y763 VanDerWaalsContact CZ-CB 3.42Å; F652-Y763 HydrophobicContact CZ-CD2 4.15Å; F652-Y763 AromaticContact CZ-CG 3.92Å; F652-Y763 HydrophobicContact CZ-CG 3.92Å; F652-Y763 PolarHBondContact N-O 3.46Å; F652-Y763 VanDerWaalsContact N-O 3.09Å; F652-Y763 PolarHBondContact O-N 2.97Å; F652-A765 HydrophobicContact CD1-CB 4.34Å; F652-A765 HydrophobicContact CE1-CB 3.98Å; F652-I781 HydrophobicContact CE1-CG2 3.91Å; F652-I781 HydrophobicContact CZ-CD1 4.23Å; F652-I781 HydrophobicContact CZ-CG2 3.76Å
653	L	98.2	Very high	96.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.8	-171.7	166.5	65.1	0	0	0	110	T655 W663 F760 G761 L762 T805 V808 V809 F823	L653-T655 HydrophobicContact CD1-CG2 4.34Å; L653-T655 HydrophobicContact CD2-CG2 4.17Å; L653-T655 HydrophobicContact CG-CG2 3.95Å; L653-W663 HydrophobicContact CB-CB 4.21Å; L653-W663 PolarHBondContact N-O 3.44Å; L653-W663 PolarHBondContact O-N 3.46Å; L653-F760 HydrophobicContact CD1-CB 4.26Å; L653-F760 HydrophobicContact CD1-CD2 3.66Å; L653-F760 HydrophobicContact CD1-CE2 4.49Å; L653-F760 HydrophobicContact CD1-CG 4.38Å; L653-G761 WeakPolarHBondContact CA-O 3.34Å; L653-L762 HydrophobicContact CB-CD1 4.21Å; L653-L762 HydrophobicContact CD1-CB 4.48Å; L653-T805 HydrophobicContact CD1-CG2 4.23Å; L653-T805 HydrophobicContact CD2-CG2 4.15Å; L653-V808 HydrophobicContact CD2-CB 3.89Å; L653-V808 HydrophobicContact CD2-CG1 3.76Å; L653-V808 HydrophobicContact CD2-CG2 4.37Å; L653-V809 HydrophobicContact CD2-CG1 4.35Å; L653-F823 HydrophobicContact CB-CD1 4.29Å; L653-F823 HydrophobicContact CB-CE1 3.52Å; L653-F823 HydrophobicContact CB-CZ 3.79Å; L653-F823 HydrophobicContact CD2-CD2 4.45Å; L653-F823 HydrophobicContact CD2-CE1 4.16Å; L653-F823 HydrophobicContact CD2-CE2 4.07Å; L653-F823 HydrophobicContact CD2-CZ 3.92Å
654	I	97.6	Very high	96.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114	173.9	-51	178.3	0	0	0	108.8	H355 F360 F652 D656 W657 L660 L746 F760 G761 Y763	H355-I654 PolarHBondContact NE2-O 3.33Å; H355-I654 VanDerWaalsContact NE2-O 3.13Å; F360-I654 HydrophobicContact CZ-CD1 4.01Å; F652-I654 HydrophobicContact CD2-CG1 4.19Å; F652-I654 HydrophobicContact CE2-CD1 4.09Å; F652-I654 HydrophobicContact CE2-CG1 4.06Å; I654-D656 WeakPolarHBondContact CG2-O 3.5Å; I654-W657 HydrophobicContact CD1-CH2 3.83Å; I654-W657 HydrophobicContact CD1-CZ2 3.37Å; I654-W657 HydrophobicContact CG2-CD2 4.37Å; I654-W657 HydrophobicContact CG2-CZ2 4.2Å; I654-L660 HydrophobicContact CG2-CD1 4.24Å; I654-L746 HydrophobicContact CD1-CD1 3.84Å; I654-L746 HydrophobicContact CD1-CD2 3.56Å; I654-L746 HydrophobicContact CD1-CG 4.31Å; I654-L746 HydrophobicContact CG1-CD1 4.15Å; I654-F760 CarbonylContact O-C 3.58Å; I654-F760 WeakPolarHBondContact O-CA 3.28Å; I654-F760 WeakPolarHBondContact O-CB 3.21Å; I654-G761 PolarHBondContact N-O 2.86Å; I654-G761 PolarHBondContact O-N 3.47Å; I654-Y763 HydrophobicContact CB-CE2 4.13Å; I654-Y763 HydrophobicContact CD1-CD2 4.08Å; I654-Y763 HydrophobicContact CD1-CE2 3.56Å; I654-Y763 HydrophobicContact CG1-CD2 4.05Å; I654-Y763 HydrophobicContact CG1-CE2 3.76Å
655	T	96.2	Very high	96.4	Very high	35 Å²	35	9.5 Å²	9.5	22%	0.215	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-14.7	-178.8	56	0	0	0	0	114.2	L653 T661 W663 V808 V809	L653-T655 HydrophobicContact CD1-CG2 4.34Å; L653-T655 HydrophobicContact CD2-CG2 4.17Å; L653-T655 HydrophobicContact CG-CG2 3.95Å; T655-T661 PolarHBondContact N-O 2.75Å; T655-T661 VanDerWaalsContact N-O 3.11Å; T655-T661 WeakPolarHBondContact OG1-CG2 3.32Å; T655-W663 PolarHBondContact OG1-NE1 3.4Å; T655-V808 HydrophobicContact CG2-CG1 3.85Å; T655-V809 HydrophobicContact CG2-CG1 4.03Å
656	D	93.5	Very high	96.3	Very high	31 Å²	31	12.3 Å²	12.3	17%	0.166	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	149.9	-179.1	-156.4	-25.7	0	0	0	109.9	I654 A658 P659 L660 T661 K757	I654-D656 WeakPolarHBondContact CG2-O 3.5Å; D656-A658 PolarHBondContact OD1-N 2.8Å; D656-P659 CarbonylContact C-O 3.6Å; D656-P659 WeakPolarHBondContact CB-O 3.45Å; D656-L660 WeakPolarHBondContact O-CA 3.4Å; D656-T661 PolarHBondContact O-N 2.93Å; D656-K757 IonicContact OD1-NZ 2.66Å; D656-K757 PolarHBondContact OD1-NZ 2.74Å; D656-K757 IonicContact OD2-NZ 2.69Å; D656-K757 PolarHBondContact OD2-NZ 3.26Å
657	W	92	Very high	96.3	Very high	14 Å²	14	12.5 Å²	12.5	5%	0.053	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-9.9	174.4	-76.9	102.4	0	0	0	113.1	H355 F360 I654 P659 L660 L746 Q750 I753 P755	H355-W657 AromaticContact CD2-NE1 3.86Å; H355-W657 AromaticContact CE1-CD1 3.41Å; H355-W657 VanDerWaalsContact CE1-CD1 3.41Å; H355-W657 AromaticContact CE1-NE1 3.38Å; H355-W657 PolarHBondContact CE1-NE1 3.33Å; H355-W657 AromaticContact CG-NE1 3.63Å; H355-W657 AromaticContact ND1-CD1 3.34Å; H355-W657 VanDerWaalsContact ND1-CD1 3.34Å; H355-W657 AromaticContact ND1-NE1 3.33Å; H355-W657 PolarHBondContact ND1-NE1 2.92Å; H355-W657 AromaticContact NE2-NE1 3.68Å; F360-W657 HydrophobicContact CD1-CH2 4.47Å; F360-W657 AromaticContact CE1-CH2 3.69Å; F360-W657 HydrophobicContact CE1-CH2 3.69Å; F360-W657 AromaticContact CE1-CZ2 3.65Å; F360-W657 HydrophobicContact CE1-CZ2 3.65Å; F360-W657 HydrophobicContact CZ-CH2 4.34Å; F360-W657 HydrophobicContact CZ-CZ2 4.07Å; I654-W657 HydrophobicContact CD1-CH2 3.83Å; I654-W657 HydrophobicContact CD1-CZ2 3.37Å; I654-W657 HydrophobicContact CG2-CD2 4.37Å; I654-W657 HydrophobicContact CG2-CZ2 4.2Å; W657-P659 CarbonylContact C-O 3.5Å; W657-P659 CarbonylContact O-C 3.52Å; W657-L660 VanDerWaalsContact C-N 3.34Å; W657-L660 HydrophobicContact CD2-CD1 4.37Å; W657-L660 HydrophobicContact CE3-CD1 3.77Å; W657-L660 HydrophobicContact CH2-CD1 4.33Å; W657-L660 HydrophobicContact CZ3-CD1 3.75Å; W657-L660 PolarHBondContact O-N 2.91Å; W657-L746 HydrophobicContact CH2-CD2 3.92Å; W657-Q750 HydrophobicContact CE3-CG 4.21Å; W657-Q750 HydrophobicContact CZ3-CG 4.15Å; W657-I753 HydrophobicContact CD2-CD1 4.29Å; W657-I753 HydrophobicContact CD2-CG2 4.05Å; W657-I753 HydrophobicContact CE3-CD1 4.28Å; W657-I753 HydrophobicContact CG-CG2 4.08Å; W657-I753 HydrophobicContact CH2-CD1 3.38Å; W657-I753 HydrophobicContact CZ2-CD1 3.36Å; W657-I753 HydrophobicContact CZ3-CD1 3.86Å; W657-P755 HydrophobicContact CB-CB 3.92Å
658	A	87.5	Confident	96.3	Very high	41 Å²	41	11.9 Å²	11.9	34%	0.339	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.3	72.2	-176.8	0	0	0	0	0	112.1	D656 P755 K757	D656-A658 PolarHBondContact OD1-N 2.8Å; A658-P755 HydrophobicContact CB-CB 3.87Å; A658-P755 HydrophobicContact CB-CG 4.43Å; A658-K757 PolarHBondContact O-NZ 3.44Å
659	P	91.1	Very high	96.3	Very high	7 Å²	7	12.4 Å²	12.4	5%	0.045	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	cis	-81.5	153.2	10.5	31.4	-37.2	0	0	0	114	D656 W657 T661 R828 Q829 F831	D656-P659 CarbonylContact C-O 3.6Å; D656-P659 WeakPolarHBondContact CB-O 3.45Å; W657-P659 CarbonylContact C-O 3.5Å; W657-P659 CarbonylContact O-C 3.52Å; P659-T661 PolarHBondContact O-N 2.87Å; P659-T661 VanDerWaalsContact O-N 3.1Å; P659-T661 PolarHBondContact O-OG1 3.28Å; P659-R828 HydrophobicContact CG-CG 4.42Å; P659-Q829 HydrophobicContact CB-CB 3.82Å; P659-Q829 WeakPolarHBondContact CB-O 3.41Å; P659-F831 VanDerWaalsContact CD-CE2 3.44Å; P659-F831 HydrophobicContact CG-CD2 4.05Å; P659-F831 HydrophobicContact CG-CE2 3.91Å; P659-F831 HydrophobicContact CG-CZ 4.24Å
660	L	94	Very high	96.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	117	165.6	175.8	58.2	0	0	0	109.8	I654 D656 W657 V662 L746 L747 Q750 Y827 R828 Q829	I654-L660 HydrophobicContact CG2-CD1 4.24Å; D656-L660 WeakPolarHBondContact O-CA 3.4Å; W657-L660 VanDerWaalsContact C-N 3.34Å; W657-L660 HydrophobicContact CD2-CD1 4.37Å; W657-L660 HydrophobicContact CE3-CD1 3.77Å; W657-L660 HydrophobicContact CH2-CD1 4.33Å; W657-L660 HydrophobicContact CZ3-CD1 3.75Å; W657-L660 PolarHBondContact O-N 2.91Å; L660-V662 HydrophobicContact CD1-CG2 3.56Å; L660-V662 HydrophobicContact CD2-CG2 4.44Å; L660-V662 HydrophobicContact CG-CG2 3.82Å; L660-L746 HydrophobicContact CD1-CB 4.35Å; L660-L746 HydrophobicContact CD2-CB 4Å; L660-L747 HydrophobicContact CD2-CD2 4.09Å; L660-L747 HydrophobicContact CD2-CG 4.47Å; L660-Q750 HydrophobicContact CD2-CG 4.36Å; L660-Y827 HydrophobicContact CD2-CD1 4.28Å; L660-Y827 HydrophobicContact CD2-CE1 4.25Å; L660-Y827 HydrophobicContact CG-CD1 4.23Å; L660-Y827 HydrophobicContact CG-CE1 4.44Å; L660-R828 WeakPolarHBondContact O-CA 3.33Å; L660-Q829 HydrophobicContact CB-CB 4.4Å; L660-Q829 PolarHBondContact O-N 2.65Å
661	T	96.1	Very high	96.2	Very high	8 Å²	8	12.2 Å²	12.2	5%	0.049	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	109.4	-176.8	-53.9	0	0	0	0	109.1	T655 D656 P659 L825 Y827 R828	T655-T661 PolarHBondContact N-O 2.75Å; T655-T661 VanDerWaalsContact N-O 3.11Å; T655-T661 WeakPolarHBondContact OG1-CG2 3.32Å; D656-T661 PolarHBondContact O-N 2.93Å; P659-T661 PolarHBondContact O-N 2.87Å; P659-T661 VanDerWaalsContact O-N 3.1Å; P659-T661 PolarHBondContact O-OG1 3.28Å; T661-L825 HydrophobicContact CG2-CD1 3.96Å; T661-Y827 WeakPolarHBondContact CA-O 3.49Å; T661-R828 HydrophobicContact CG2-CG 4.2Å
662	V	98	Very high	96.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.8	-168.2	-170.6	0	0	0	0	109.9	F652 L660 L746 L826 Y827	F652-V662 HydrophobicContact CD2-CG1 4.27Å; L660-V662 HydrophobicContact CD1-CG2 3.56Å; L660-V662 HydrophobicContact CD2-CG2 4.44Å; L660-V662 HydrophobicContact CG-CG2 3.82Å; V662-L746 HydrophobicContact CB-CD1 4.4Å; V662-L746 HydrophobicContact CG1-CD1 3.79Å; V662-L746 HydrophobicContact CG2-CD1 3.65Å; V662-L826 HydrophobicContact CG1-CD2 4.35Å; V662-L826 PolarHBondContact O-N 3.38Å; V662-Y827 PolarHBondContact N-O 2.69Å; V662-Y827 PolarHBondContact O-N 3.01Å; V662-Y827 VanDerWaalsContact O-N 3.11Å
663	W	98.4	Very high	96.1	Very high	27 Å²	27	12.2 Å²	12.2	10%	0.102	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.7	175.3	-53.7	78.3	0	0	0	109.6	F652 L653 T655 V808 K812 V820 F823 E824 L825	F652-W663 CarbonylContact C-O 3.5Å; F652-W663 VanDerWaalsContact CA-O 3.29Å; F652-W663 WeakPolarHBondContact CA-O 3.22Å; F652-W663 WeakPolarHBondContact CB-O 3.25Å; L653-W663 HydrophobicContact CB-CB 4.21Å; L653-W663 PolarHBondContact N-O 3.44Å; L653-W663 PolarHBondContact O-N 3.46Å; T655-W663 PolarHBondContact OG1-NE1 3.4Å; W663-V808 HydrophobicContact CD2-CG1 3.79Å; W663-V808 HydrophobicContact CE3-CG1 4.33Å; W663-V808 HydrophobicContact CE3-CG2 4.4Å; W663-V808 HydrophobicContact CG-CG1 4.1Å; W663-V808 HydrophobicContact CZ2-CG1 4Å; W663-K812 HydrophobicContact CH2-CD 3.73Å; W663-K812 HydrophobicContact CZ2-CD 4.42Å; W663-K812 HydrophobicContact CZ3-CD 4.44Å; W663-V820 HydrophobicContact CZ3-CG1 4.25Å; W663-F823 HydrophobicContact CB-CB 4.46Å; W663-F823 HydrophobicContact CB-CD1 3.69Å; W663-F823 HydrophobicContact CB-CE1 4.35Å; W663-F823 HydrophobicContact CB-CG 4.34Å; W663-F823 HydrophobicContact CE3-CB 4.43Å; W663-E824 CarbonylContact C-O 3.5Å; W663-E824 VanDerWaalsContact CA-O 3.22Å; W663-E824 WeakPolarHBondContact CA-O 3.38Å; W663-L825 HydrophobicContact CD2-CD1 3.98Å; W663-L825 HydrophobicContact CE3-CB 3.95Å; W663-L825 HydrophobicContact CE3-CD1 4.25Å; W663-L825 HydrophobicContact CH2-CB 4.28Å; W663-L825 HydrophobicContact CH2-CD1 4.21Å; W663-L825 HydrophobicContact CZ2-CD1 3.96Å; W663-L825 HydrophobicContact CZ3-CB 3.82Å; W663-L825 HydrophobicContact CZ3-CD1 4.36Å
664	W	98.4	Very high	96	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.5	176.4	-177.1	-92.6	0	0	0	109.2	Q650 Q735 M738 K739 V742 F823 E824 L826	Q650-W664 VanDerWaalsContact CD-CE2 3.45Å; Q650-W664 HydrophobicContact CG-CE3 4.41Å; Q650-W664 HydrophobicContact CG-CH2 3.4Å; Q650-W664 HydrophobicContact CG-CZ2 3.5Å; Q650-W664 VanDerWaalsContact CG-CZ2 3.5Å; Q650-W664 HydrophobicContact CG-CZ3 3.87Å; W664-Q735 HydrophobicContact CZ2-CG 4.05Å; W664-M738 HydrophobicContact CH2-CB 3.71Å; W664-M738 HydrophobicContact CZ2-CB 4.27Å; W664-K739 VanDerWaalsContact CD1-CE 3.48Å; W664-K739 HydrophobicContact CD2-CD 4.4Å; W664-K739 HydrophobicContact CD2-CG 3.63Å; W664-K739 HydrophobicContact CE3-CG 3.7Å; W664-K739 HydrophobicContact CG-CG 4.3Å; W664-K739 HydrophobicContact CH2-CB 4.33Å; W664-K739 HydrophobicContact CH2-CG 3.67Å; W664-K739 HydrophobicContact CZ2-CG 3.65Å; W664-K739 HydrophobicContact CZ3-CB 4.27Å; W664-K739 HydrophobicContact CZ3-CG 3.72Å; W664-V742 HydrophobicContact CZ3-CB 4.4Å; W664-V742 HydrophobicContact CZ3-CG2 4.01Å; W664-F823 CarbonylContact O-C 3.54Å; W664-F823 WeakPolarHBondContact O-CA 3.48Å; W664-E824 HydrophobicContact CB-CG 3.87Å; W664-E824 HydrophobicContact CG-CG 4.48Å; W664-E824 PolarHBondContact N-O 2.93Å; W664-E824 PolarHBondContact O-N 3.06Å; W664-L826 HydrophobicContact CB-CB 3.96Å; W664-L826 HydrophobicContact CB-CD2 4.39Å; W664-L826 HydrophobicContact CE3-CD2 3.87Å
665	Y	98.5	Very high	95.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	129.3	170.4	-153.3	-117.4	0	0	0	109.3	Q650 W651 D667 S800 V801 D804 R822 F823	Q650-Y665 PolarHBondContact NE2-O 2.92Å; W651-Y665 HydrophobicContact CE3-CD1 4.01Å; W651-Y665 PolarHBondContact O-N 3.03Å; Y665-D667 VanDerWaalsContact C-N 3.27Å; Y665-D667 HydrophobicContact CD1-CB 3.94Å; Y665-D667 HydrophobicContact CE1-CB 3.93Å; Y665-D667 PolarHBondContact O-N 3.09Å; Y665-S800 VanDerWaalsContact OH-C 3.27Å; Y665-S800 VanDerWaalsContact OH-CB 3.32Å; Y665-S800 WeakPolarHBondContact OH-CB 3.03Å; Y665-V801 HydrophobicContact CD1-CB 4.08Å; Y665-V801 HydrophobicContact CD1-CG2 3.86Å; Y665-V801 HydrophobicContact CD2-CG2 3.85Å; Y665-V801 HydrophobicContact CE1-CB 3.69Å; Y665-V801 HydrophobicContact CE1-CG2 3.95Å; Y665-V801 HydrophobicContact CE2-CB 4.19Å; Y665-V801 HydrophobicContact CE2-CG2 3.96Å; Y665-V801 HydrophobicContact CG-CB 4.47Å; Y665-V801 HydrophobicContact CG-CG2 3.81Å; Y665-V801 PolarHBondContact OH-N 3.26Å; Y665-D804 HydrophobicContact CE2-CB 3.79Å; Y665-D804 VanDerWaalsContact CE2-OD2 3.32Å; Y665-D804 WeakPolarHBondContact CE2-OD2 3.49Å; Y665-D804 PolarHBondContact OH-OD2 3.23Å; Y665-R822 HydrophobicContact CD2-CB 4.32Å; Y665-R822 WeakPolarHBondContact CD2-O 3.45Å; Y665-R822 HydrophobicContact CE1-CB 4.32Å; Y665-R822 HydrophobicContact CE2-CB 3.71Å; Y665-F823 AromaticContact CD2-CD1 3.76Å; Y665-F823 HydrophobicContact CD2-CD1 3.76Å; Y665-F823 AromaticContact CD2-CD2 3.68Å; Y665-F823 HydrophobicContact CD2-CD2 3.68Å; Y665-F823 AromaticContact CD2-CE1 3.72Å; Y665-F823 HydrophobicContact CD2-CE1 3.72Å; Y665-F823 AromaticContact CD2-CE2 3.63Å; Y665-F823 HydrophobicContact CD2-CE2 3.63Å; Y665-F823 AromaticContact CD2-CG 3.72Å; Y665-F823 HydrophobicContact CD2-CG 3.72Å; Y665-F823 AromaticContact CD2-CZ 3.65Å; Y665-F823 HydrophobicContact CD2-CZ 3.65Å; Y665-F823 AromaticContact CE2-CD2 3.89Å; Y665-F823 HydrophobicContact CE2-CD2 3.89Å; Y665-F823 AromaticContact CE2-CE2 3.89Å; Y665-F823 HydrophobicContact CE2-CE2 3.89Å; Y665-F823 HydrophobicContact CE2-CG 4.3Å; Y665-F823 HydrophobicContact CE2-CZ 4.33Å; Y665-F823 HydrophobicContact CG-CD1 4.5Å; Y665-F823 HydrophobicContact CG-CE1 4.24Å; Y665-F823 HydrophobicContact CG-CZ 4.32Å
666	Q	97.5	Very high	96	Very high	69 Å²	69	15.7 Å²	15.7	32%	0.322	8%	0.08	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-28.9	-175	-70.2	178.1	-20.8	0	0	112.3	R822 E824	Q666-R822 HydrophobicContact CB-CB 4.39Å; Q666-R822 WeakPolarHBondContact CG-O 3.28Å; Q666-R822 PolarHBondContact N-O 3.25Å; Q666-E824 HydrophobicContact CG-CG 4.3Å; Q666-E824 WeakPolarHBondContact CG-OE2 3.42Å; Q666-E824 PolarHBondContact NE2-OE2 3.1Å
667	D	97.4	Very high	96.2	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	142.6	172.5	-61.4	-31.4	0	0	0	112.6	Y665 W714 Y797 R822	Y665-D667 VanDerWaalsContact C-N 3.27Å; Y665-D667 HydrophobicContact CD1-CB 3.94Å; Y665-D667 HydrophobicContact CE1-CB 3.93Å; Y665-D667 PolarHBondContact O-N 3.09Å; D667-W714 PolarHBondContact OD1-NE1 3.41Å; D667-Y797 HydrophobicContact CB-CD1 4.07Å; D667-Y797 HydrophobicContact CB-CD2 4.41Å; D667-Y797 HydrophobicContact CB-CE1 3.79Å; D667-Y797 HydrophobicContact CB-CE2 4.14Å; D667-Y797 HydrophobicContact CB-CG 4.36Å; D667-Y797 VanDerWaalsContact CG-CE1 3.43Å; D667-Y797 WeakPolarHBondContact OD2-CE1 3.43Å; D667-R822 IonicContact OD1-CZ 2.64Å; D667-R822 VanDerWaalsContact OD1-CZ 3.29Å; D667-R822 IonicContact OD1-NE 2.68Å; D667-R822 PolarHBondContact OD1-NE 2.91Å; D667-R822 IonicContact OD1-NH2 3.6Å; D667-R822 PolarHBondContact OD1-NH2 2.8Å; D667-R822 VanDerWaalsContact OD2-CD 3.24Å; D667-R822 WeakPolarHBondContact OD2-CD 3.31Å; D667-R822 IonicContact OD2-CZ 3.04Å; D667-R822 IonicContact OD2-NE 3.37Å; D667-R822 PolarHBondContact OD2-NE 2.69Å; D667-R822 IonicContact OD2-NH2 2.74Å
668	C	97.5	Very high	96.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	168.4	166.3	58.4	0	0	0	0	108.4	I648 R649 Q650 W714 W730 Y797	I648-C668 HydrophobicContact CG2-CB 3.97Å; R649-C668 WeakPolarHBondContact O-CA 3.49Å; R649-C668 WeakPolarHBondContact O-CB 3.49Å; Q650-C668 HydrophobicContact CB-CB 4.28Å; C668-W714 PolarHBondContact O-N 3.02Å; C668-W730 WeakPolarHBondContact SG-CH2 3.2Å; C668-Y797 WeakPolarHBondContact O-CE2 3.37Å
669	Y	97.4	Very high	96.7	Very high	10 Å²	10	16.9 Å²	16.9	4%	0.039	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.3	178.1	65	-82.3	0	0	0	111.8	R649 W651 R671 M711 W712 V793 T794	R649-Y669 HydrophobicContact CB-CD1 4.12Å; R649-Y669 HydrophobicContact CB-CD2 4.46Å; R649-Y669 HydrophobicContact CB-CE1 3.75Å; R649-Y669 HydrophobicContact CB-CE2 4.16Å; R649-Y669 HydrophobicContact CB-CG 4.46Å; R649-Y669 HydrophobicContact CG-CD1 4.04Å; R649-Y669 HydrophobicContact CG-CE1 3.3Å; R649-Y669 HydrophobicContact CG-CE2 4.39Å; R649-Y669 PolarHBondContact N-O 3.45Å; R649-Y669 PolarHBondContact O-N 3Å; W651-Y669 AromaticContact CH2-CD1 3.7Å; W651-Y669 HydrophobicContact CH2-CD1 3.7Å; W651-Y669 AromaticContact CH2-CE1 3.47Å; W651-Y669 HydrophobicContact CH2-CE1 3.47Å; W651-Y669 VanDerWaalsContact CH2-CE1 3.47Å; W651-Y669 HydrophobicContact CZ2-CD1 4.34Å; W651-Y669 AromaticContact CZ2-CE1 3.66Å; W651-Y669 HydrophobicContact CZ2-CE1 3.66Å; W651-Y669 AromaticContact CZ3-CD1 3.95Å; W651-Y669 HydrophobicContact CZ3-CD1 3.95Å; W651-Y669 HydrophobicContact CZ3-CE1 4.1Å; Y669-R671 HydrophobicContact CD2-CG 3.96Å; Y669-R671 HydrophobicContact CE2-CG 3.73Å; Y669-M711 HydrophobicContact CD2-CG 4.3Å; Y669-M711 HydrophobicContact CD2-SD 3.56Å; Y669-M711 VanDerWaalsContact CD2-SD 3.56Å; Y669-M711 HydrophobicContact CE2-CE 4.02Å; Y669-M711 HydrophobicContact CE2-SD 3.48Å; Y669-M711 WeakPolarHBondContact CE2-SD 3.36Å; Y669-W712 CarbonylContact C-O 3.56Å; Y669-W712 WeakPolarHBondContact CA-O 3.46Å; Y669-W712 WeakPolarHBondContact CB-O 3.19Å; Y669-V793 HydrophobicContact CG-CG1 4.28Å; Y669-T794 HydrophobicContact CD2-CG2 4.42Å; Y669-T794 HydrophobicContact CE1-CG2 4.27Å; Y669-T794 HydrophobicContact CE2-CG2 3.85Å
670	L	97.7	Very high	96.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	147.8	174.4	-78.8	64.8	0	0	0	109.6	I641 F646 D647 I648 F672 M711 W712 F717	I641-L670 HydrophobicContact CD1-CD2 3.86Å; F646-L670 HydrophobicContact CD2-CB 4.2Å; F646-L670 HydrophobicContact CD2-CD2 3.5Å; F646-L670 VanDerWaalsContact CD2-CD2 3.5Å; F646-L670 HydrophobicContact CD2-CG 3.64Å; F646-L670 HydrophobicContact CE2-CD2 3.55Å; F646-L670 HydrophobicContact CE2-CG 3.87Å; F646-L670 HydrophobicContact CG-CD2 4.22Å; F646-L670 HydrophobicContact CZ-CD2 4.33Å; D647-L670 CarbonylContact O-C 3.54Å; D647-L670 WeakPolarHBondContact O-CA 3.34Å; I648-L670 HydrophobicContact CD1-CD1 4.42Å; I648-L670 HydrophobicContact CG1-CD1 4.02Å; I648-L670 HydrophobicContact CG1-CG 4.06Å; L670-F672 HydrophobicContact CB-CE2 4.34Å; L670-F672 HydrophobicContact CB-CZ 4.41Å; L670-F672 HydrophobicContact CD2-CZ 4.14Å; L670-M711 WeakPolarHBondContact O-CA 3.33Å; L670-M711 WeakPolarHBondContact O-CB 3.41Å; L670-W712 HydrophobicContact CB-CB 4.12Å; L670-W712 HydrophobicContact CD2-CB 4.48Å; L670-W712 HydrophobicContact CD2-CE3 4.25Å; L670-W712 PolarHBondContact N-O 3.41Å; L670-W712 PolarHBondContact O-N 2.67Å; L670-F717 HydrophobicContact CD1-CB 3.76Å; L670-F717 HydrophobicContact CD1-CD1 4.23Å; L670-F717 HydrophobicContact CD1-CG 4.07Å; L670-F717 HydrophobicContact CD2-CB 3.77Å; L670-F717 HydrophobicContact CD2-CD1 4.48Å; L670-F717 HydrophobicContact CD2-CD2 3.78Å; L670-F717 HydrophobicContact CD2-CG 3.77Å; L670-F717 HydrophobicContact CG-CB 4.45Å
671	R	97.1	Very high	96.7	Very high	10 Å²	10	26.9 Å²	26.9	4%	0.038	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.2	171.5	-51.3	178.5	-59.9	-154.1	6.8	109.5	F646 D647 R649 Y669 C689 N710 D766	F646-R671 CarbonylContact C-O 3.36Å; F646-R671 WeakPolarHBondContact CA-O 3.29Å; F646-R671 WeakPolarHBondContact CB-O 3.49Å; D647-R671 PolarHBondContact N-O 3Å; D647-R671 PolarHBondContact O-N 3.03Å; D647-R671 IonicContact OD1-CZ 3.76Å; D647-R671 IonicContact OD1-NE 3.84Å; D647-R671 PolarHBondContact OD1-NE 3.31Å; D647-R671 IonicContact OD1-NH2 3.41Å; D647-R671 PolarHBondContact OD1-NH2 3.32Å; D647-R671 IonicContact OD2-CZ 2.66Å; D647-R671 IonicContact OD2-NE 2.8Å; D647-R671 IonicContact OD2-NH2 2.91Å; D647-R671 PolarHBondContact OD2-NH2 2.79Å; R649-R671 VanDerWaalsContact CZ-NH1 3.33Å; Y669-R671 HydrophobicContact CD2-CG 3.96Å; Y669-R671 HydrophobicContact CE2-CG 3.73Å; R671-C689 HydrophobicContact CB-CB 4.35Å; R671-C689 WeakPolarHBondContact CB-O 3.48Å; R671-N710 CarbonylContact C-O 3.51Å; R671-N710 WeakPolarHBondContact CA-O 3.45Å; R671-D766 IonicContact CZ-OD2 3.04Å; R671-D766 IonicContact NH1-OD2 3.45Å; R671-D766 PolarHBondContact NH1-OD2 2.67Å; R671-D766 IonicContact NH2-OD2 2.7Å; R671-D766 PolarHBondContact NH2-OD2 2.95Å
672	F	97.6	Very high	96.5	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	151.3	-178.2	-66.4	-78	0	0	0	112.3	I641 T644 F646 L670 L706 N710 W712	I641-F672 HydrophobicContact CB-CE1 3.99Å; I641-F672 HydrophobicContact CD1-CE1 4.03Å; I641-F672 HydrophobicContact CD1-CZ 4.21Å; I641-F672 HydrophobicContact CG2-CE1 4.13Å; I641-F672 HydrophobicContact CG2-CZ 4.45Å; T644-F672 HydrophobicContact CG2-CB 4.23Å; T644-F672 HydrophobicContact CG2-CD1 4.25Å; F646-F672 HydrophobicContact CB-CD1 3.57Å; F646-F672 HydrophobicContact CB-CE1 3.67Å; F646-F672 HydrophobicContact CB-CG 4.29Å; F646-F672 HydrophobicContact CB-CZ 4.5Å; F646-F672 HydrophobicContact CD1-CE1 4.4Å; F646-F672 HydrophobicContact CG-CD1 4.48Å; F646-F672 HydrophobicContact CG-CE1 4.13Å; L670-F672 HydrophobicContact CB-CE2 4.34Å; L670-F672 HydrophobicContact CB-CZ 4.41Å; L670-F672 HydrophobicContact CD2-CZ 4.14Å; F672-L706 HydrophobicContact CD1-CD2 3.81Å; F672-L706 HydrophobicContact CD2-CD2 4.42Å; F672-L706 HydrophobicContact CE1-CD2 3.66Å; F672-L706 HydrophobicContact CE2-CD2 4.26Å; F672-L706 HydrophobicContact CG-CD2 4.21Å; F672-L706 HydrophobicContact CZ-CD2 3.89Å; F672-N710 HydrophobicContact CB-CB 4.35Å; F672-N710 PolarHBondContact N-O 3.19Å; F672-W712 HydrophobicContact CE2-CB 3.81Å; F672-W712 AromaticContact CE2-CD2 3.88Å; F672-W712 HydrophobicContact CE2-CD2 3.88Å; F672-W712 HydrophobicContact CE2-CE3 4.33Å; F672-W712 AromaticContact CE2-CG 3.65Å; F672-W712 HydrophobicContact CE2-CG 3.65Å; F672-W712 HydrophobicContact CZ-CB 4.26Å; F672-W712 AromaticContact CZ-CD2 3.72Å; F672-W712 HydrophobicContact CZ-CD2 3.72Å; F672-W712 AromaticContact CZ-CE3 3.73Å; F672-W712 HydrophobicContact CZ-CE3 3.73Å; F672-W712 AromaticContact CZ-CG 3.99Å; F672-W712 HydrophobicContact CZ-CG 3.99Å; F672-W712 HydrophobicContact CZ-CZ3 4.33Å
673	C	97.2	Very high	96.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	153.6	163.2	-64.1	0	0	0	0	111	T644 K645 Q675 S685 I686 C689 R702	T644-C673 HydrophobicContact CG2-CB 4.27Å; T644-C673 WeakPolarHBondContact CG2-O 3.26Å; K645-C673 PolarHBondContact O-N 2.87Å; K645-C673 PolarHBondContact O-SG 2.94Å; C673-Q675 VanDerWaalsContact C-N 3.28Å; C673-Q675 PolarHBondContact O-N 3.24Å; C673-S685 WeakPolarHBondContact CB-O 3.38Å; C673-I686 PolarHBondContact SG-O 3.41Å; C673-I686 VanDerWaalsContact SG-O 3.35Å; C673-C689 VanDerWaalsContact SG-SG 3.61Å; C673-R702 PolarHBondContact O-NH1 2.89Å
674	S	95.9	Very high	95.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-19.4	177.6	51.9	0	0	0	0	112.9	S685 Q694 Y697 N699 G700	S674-S685 PolarHBondContact OG-O 2.63Å; S674-Q694 PolarHBondContact OG-OE1 2.99Å; S674-Y697 WeakPolarHBondContact OG-CB 3.49Å; S674-N699 CarbonylContact O-C 3.58Å; S674-N699 WeakPolarHBondContact O-CA 3.28Å; S674-G700 PolarHBondContact O-N 2.8Å
675	Q	96	Very high	95.7	Very high	48 Å²	48	32.4 Å²	32.4	22%	0.224	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	158.5	-174	-56	-57.2	-43	0	0	112	C673 I686 K698	C673-Q675 VanDerWaalsContact C-N 3.28Å; C673-Q675 PolarHBondContact O-N 3.24Å; Q675-I686 HydrophobicContact CB-CG1 3.66Å; Q675-I686 HydrophobicContact CG-CG1 4.17Å; Q675-K698 PolarHBondContact NE2-O 3.12Å
676	E	97	Very high	95.5	Very high	59 Å²	59	33 Å²	33	28%	0.276	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	149.7	169.8	-64.3	-162.8	153.4	0	0	111	K643 R702	K643-E676 HydrophobicContact CB-CB 4.46Å; K643-E676 HydrophobicContact CB-CG 4.38Å; K643-E676 HydrophobicContact CD-CG 4.36Å; K643-E676 WeakPolarHBondContact CD-OE1 3.42Å; K643-E676 WeakPolarHBondContact CD-OE2 3.36Å; K643-E676 IonicContact NZ-OE1 3.79Å; K643-E676 PolarHBondContact NZ-OE1 3.5Å; K643-E676 IonicContact NZ-OE2 2.74Å; K643-E676 PolarHBondContact NZ-OE2 3.16Å; E676-R702 HydrophobicContact CG-CB 4.23Å
677	F	97.2	Very high	95.4	Very high	34 Å²	34	29.8 Å²	29.8	15%	0.149	15%	0.153	C	C	.	.			trans	-77.7	137.2	-176.4	-176.6	-109.2	0	0	0	113.2	Y634 P638 L640 K643 K645 L679 I686 H687	Y634-F677 HydrophobicContact CE1-CE2 4.43Å; Y634-F677 HydrophobicContact CE1-CZ 4.19Å; Y634-F677 WeakPolarHBondContact OH-CE2 3.4Å; P638-F677 HydrophobicContact CG-CD1 4.18Å; P638-F677 HydrophobicContact CG-CE1 3.8Å; P638-F677 HydrophobicContact CG-CE2 4.23Å; P638-F677 HydrophobicContact CG-CZ 3.83Å; L640-F677 HydrophobicContact CD1-CB 4.01Å; L640-F677 HydrophobicContact CD1-CD1 3.92Å; L640-F677 HydrophobicContact CD1-CG 4.37Å; L640-F677 HydrophobicContact CD2-CB 3.53Å; L640-F677 HydrophobicContact CD2-CD1 3.89Å; L640-F677 HydrophobicContact CD2-CG 3.76Å; L640-F677 HydrophobicContact CG-CB 4.44Å; L640-F677 HydrophobicContact CG-CD1 4.45Å; K643-F677 VanDerWaalsContact O-CB 3.28Å; K643-F677 WeakPolarHBondContact O-CB 3.46Å; K643-F677 PolarHBondContact O-N 3.18Å; K645-F677 HydrophobicContact CB-CB 4.35Å; K645-F677 HydrophobicContact CB-CD2 3.95Å; K645-F677 HydrophobicContact CB-CG 4.39Å; K645-F677 HydrophobicContact CD-CD2 4.16Å; K645-F677 HydrophobicContact CD-CE2 4.18Å; F677-L679 HydrophobicContact CE1-CD2 4.29Å; F677-L679 HydrophobicContact CE1-CG 4.36Å; F677-L679 HydrophobicContact CE2-CD2 4.49Å; F677-L679 HydrophobicContact CZ-CD2 3.69Å; F677-L679 HydrophobicContact CZ-CG 4.24Å; F677-I686 HydrophobicContact CD2-CG2 4.26Å; F677-H687 AromaticContact CE2-CE1 3.64Å; F677-H687 AromaticContact CE2-ND1 3.84Å
678	T	95.7	Very high	95.2	Very high	45 Å²	45	30.3 Å²	30.3	28%	0.276	16%	0.156	S	C	.	.			trans	-147.3	170.6	172.5	-179.8	0	0	0	0	110.1	N680 I686 H687	T678-N680 PolarHBondContact OG1-N 2.75Å; T678-N680 VanDerWaalsContact OG1-N 3.14Å; T678-I686 HydrophobicContact CG2-CD1 3.83Å; T678-I686 HydrophobicContact CG2-CG2 4.13Å; T678-H687 PolarHBondContact O-CE1 2.87Å; T678-H687 PolarHBondContact O-NE2 2.82Å
679	L	94.7	Very high	94.9	Very high	33 Å²	33	30.5 Å²	30.5	17%	0.173	16%	0.157	C	C	.	.	S	Bend	trans	-115.4	7.7	169.7	-64.6	175.2	0	0	0	112.1	R589 Y634 E636 F677	R589-L679 HydrophobicContact CB-CD1 4.49Å; R589-L679 HydrophobicContact CG-CB 4.47Å; R589-L679 HydrophobicContact CG-CD1 4.01Å; Y634-L679 HydrophobicContact CD1-CD2 4.43Å; Y634-L679 HydrophobicContact CE1-CD2 4Å; E636-L679 HydrophobicContact CB-CD1 3.99Å; E636-L679 HydrophobicContact CG-CD1 4.05Å; E636-L679 HydrophobicContact CG-CD2 4.32Å; F677-L679 HydrophobicContact CE1-CD2 4.29Å; F677-L679 HydrophobicContact CE1-CG 4.36Å; F677-L679 HydrophobicContact CE2-CD2 4.49Å; F677-L679 HydrophobicContact CZ-CD2 3.69Å; F677-L679 HydrophobicContact CZ-CG 4.24Å
680	N	92.4	Very high	94.4	Very high	136 Å²	136	31 Å²	31	73%	0.727	16%	0.16	S	C	*	.	S	Bend	trans	-95.8	-20.1	-177.8	-63.5	-13.2	0	0	0	113.5	T678	T678-N680 PolarHBondContact OG1-N 2.75Å; T678-N680 VanDerWaalsContact OG1-N 3.14Å
681	D	92.5	Very high	93.9	Very high	80 Å²	80	32.1 Å²	32.1	43%	0.428	17%	0.166	S	C	.	.			trans	-129.1	124.3	170.7	168.2	29.5	0	0	0	108.4	S683 I686 H687	D681-S683 VanDerWaalsContact C-N 3.34Å; D681-S683 WeakPolarHBondContact OD1-CB 3.31Å; D681-S683 PolarHBondContact OD1-N 3.45Å; D681-S683 WeakPolarHBondContact OD2-CB 3.46Å; D681-S683 PolarHBondContact OD2-OG 3.49Å; D681-I686 HydrophobicContact CB-CD1 3.96Å; D681-I686 WeakPolarHBondContact OD2-CD1 3.39Å; D681-H687 PolarHBondContact O-CD2 3.24Å; D681-H687 PolarHBondContact O-NE2 3.21Å
682	F	92.5	Very high	93.1	Very high	55 Å²	55	33.7 Å²	33.7	24%	0.241	18%	0.179	C	C	.	.			trans	-91.6	19.5	-179.2	-66.7	-47.5	0	0	0	114.2	V591 C607 D609 H687	V591-F682 HydrophobicContact CG1-CE1 3.76Å; V591-F682 HydrophobicContact CG1-CZ 3.87Å; V591-F682 HydrophobicContact CG2-CE1 4.05Å; V591-F682 HydrophobicContact CG2-CZ 3.86Å; C607-F682 HydrophobicContact CB-CB 4.04Å; C607-F682 HydrophobicContact CB-CD1 3.75Å; C607-F682 HydrophobicContact CB-CD2 4.35Å; C607-F682 HydrophobicContact CB-CE1 4.31Å; C607-F682 HydrophobicContact CB-CG 3.79Å; C607-F682 WeakPolarHBondContact O-CD2 3.41Å; D609-F682 HydrophobicContact CB-CZ 4.43Å; F682-H687 AromaticContact CD1-NE2 3.74Å
683	S	92.6	Very high	92.4	Very high	30 Å²	30	33.7 Å²	33.7	21%	0.21	18%	0.179	C	C	.	.			trans	-56.5	145.2	-179.5	66	0	0	0	0	114.3	D681 S685 I686 H687	D681-S683 VanDerWaalsContact C-N 3.34Å; D681-S683 WeakPolarHBondContact OD1-CB 3.31Å; D681-S683 PolarHBondContact OD1-N 3.45Å; D681-S683 WeakPolarHBondContact OD2-CB 3.46Å; D681-S683 PolarHBondContact OD2-OG 3.49Å; S683-S685 WeakPolarHBondContact CB-OG 3.34Å; S683-S685 PolarHBondContact O-N 3.19Å; S683-S685 VanDerWaalsContact O-N 3.17Å; S683-S685 PolarHBondContact OG-OG 3.5Å; S683-I686 PolarHBondContact O-N 3.25Å; S683-I686 VanDerWaalsContact OG-CD1 3.3Å; S683-I686 WeakPolarHBondContact OG-CD1 3.44Å; S683-I686 WeakPolarHBondContact OG-CG1 3.4Å; S683-H687 PolarHBondContact O-N 3.34Å; S683-H687 VanDerWaalsContact O-N 3.17Å
684	E	91.7	Very high	92.1	Very high	54 Å²	54	33.8 Å²	33.8	25%	0.252	18%	0.179	S	C	.	.	H	α-helix	trans	-61.9	-27.7	-176.9	62.5	170	-143.6	0	0	112.9	I686 L688 I693 Q694 K696 Y697	E684-I686 VanDerWaalsContact C-N 3.32Å; E684-I686 PolarHBondContact O-N 3.01Å; E684-L688 HydrophobicContact CB-CD1 3.9Å; E684-L688 HydrophobicContact CB-CG 4.29Å; E684-L688 PolarHBondContact O-N 3.45Å; E684-I693 HydrophobicContact CB-CG2 3.91Å; E684-I693 HydrophobicContact CG-CG2 3.78Å; E684-Q694 PolarHBondContact O-NE2 3.41Å; E684-K696 IonicContact OE1-NZ 3.72Å; E684-K696 PolarHBondContact OE1-NZ 3.41Å; E684-K696 IonicContact OE2-NZ 2.74Å; E684-Y697 HydrophobicContact CG-CE2 3.82Å; E684-Y697 VanDerWaalsContact CG-OH 3.26Å; E684-Y697 WeakPolarHBondContact CG-OH 3.38Å; E684-Y697 WeakPolarHBondContact OE1-CE2 3.34Å; E684-Y697 PolarHBondContact OE1-OH 3.44Å
685	S	93	Very high	91.6	Very high	12 Å²	12	38.9 Å²	38.9	8%	0.084	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-32.1	171.4	31.4	0	0	0	0	114.8	C673 S674 S683 Q694	C673-S685 WeakPolarHBondContact CB-O 3.38Å; S674-S685 PolarHBondContact OG-O 2.63Å; S683-S685 WeakPolarHBondContact CB-OG 3.34Å; S683-S685 PolarHBondContact O-N 3.19Å; S683-S685 VanDerWaalsContact O-N 3.17Å; S683-S685 PolarHBondContact OG-OG 3.5Å; S685-Q694 PolarHBondContact O-NE2 3.36Å; S685-Q694 PolarHBondContact O-OE1 3.36Å
686	I	95.2	Very high	91.3	Very high	12 Å²	12	42.7 Å²	42.7	6%	0.062	22%	0.219	C	C	.	.	H	α-helix	trans	-93.7	-33.9	-179.2	-63.9	168.2	0	0	0	111.4	C673 Q675 F677 T678 D681 S683 E684	C673-I686 PolarHBondContact SG-O 3.41Å; C673-I686 VanDerWaalsContact SG-O 3.35Å; Q675-I686 HydrophobicContact CB-CG1 3.66Å; Q675-I686 HydrophobicContact CG-CG1 4.17Å; F677-I686 HydrophobicContact CD2-CG2 4.26Å; T678-I686 HydrophobicContact CG2-CD1 3.83Å; T678-I686 HydrophobicContact CG2-CG2 4.13Å; D681-I686 HydrophobicContact CB-CD1 3.96Å; D681-I686 WeakPolarHBondContact OD2-CD1 3.39Å; S683-I686 PolarHBondContact O-N 3.25Å; S683-I686 VanDerWaalsContact OG-CD1 3.3Å; S683-I686 WeakPolarHBondContact OG-CD1 3.44Å; S683-I686 WeakPolarHBondContact OG-CG1 3.4Å; E684-I686 VanDerWaalsContact C-N 3.32Å; E684-I686 PolarHBondContact O-N 3.01Å
687	H	94.6	Very high	91.1	Very high	2 Å²	2	44 Å²	44	1%	0.009	22%	0.222	C	C	.	.	H	α-helix	trans	-107.6	-21.9	-166	-73	-81.6	0	0	0	116.4	Y634 K645 F677 T678 D681 F682 S683	Y634-H687 AromaticContact CE1-ND1 3.97Å; Y634-H687 AromaticContact CE2-ND1 3.86Å; Y634-H687 AromaticContact CZ-ND1 3.33Å; Y634-H687 VanDerWaalsContact CZ-ND1 3.33Å; Y634-H687 PolarHBondContact OH-ND1 2.8Å; K645-H687 PolarHBondContact NZ-O 3.25Å; F677-H687 AromaticContact CE2-CE1 3.64Å; F677-H687 AromaticContact CE2-ND1 3.84Å; T678-H687 PolarHBondContact O-CE1 2.87Å; T678-H687 PolarHBondContact O-NE2 2.82Å; D681-H687 PolarHBondContact O-CD2 3.24Å; D681-H687 PolarHBondContact O-NE2 3.21Å; F682-H687 AromaticContact CD1-NE2 3.74Å; S683-H687 PolarHBondContact O-N 3.34Å; S683-H687 VanDerWaalsContact O-N 3.17Å
688	L	93.1	Very high	90.8	Very high	16 Å²	16	51.4 Å²	51.4	8%	0.084	25%	0.254	C	S	.	.			trans	-116.9	101	-171.9	-55.7	-176	0	0	0	111.5	I593 I605 E684 N690 I693 Q694	I593-L688 HydrophobicContact CD1-CD2 4.2Å; I605-L688 HydrophobicContact CB-CD1 4.35Å; I605-L688 HydrophobicContact CG2-CD1 4.39Å; I605-L688 HydrophobicContact CG2-CD2 4.07Å; E684-L688 HydrophobicContact CB-CD1 3.9Å; E684-L688 HydrophobicContact CB-CG 4.29Å; E684-L688 PolarHBondContact O-N 3.45Å; L688-N690 PolarHBondContact O-N 3.33Å; L688-I693 HydrophobicContact CB-CD1 3.61Å; L688-I693 HydrophobicContact CD1-CD1 3.73Å; L688-I693 HydrophobicContact CG-CD1 4.32Å; L688-Q694 PolarHBondContact O-NE2 3.1Å
689	C	92.2	Very high	90.8	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.02	25%	0.252	C	S	.	.			trans	-69.5	-0.1	-175.6	-45.2	0	0	0	0	114.7	F646 D647 R671 C673 N691	F646-C689 VanDerWaalsContact C-SG 3.59Å; D647-C689 HydrophobicContact CB-CB 4.27Å; D647-C689 VanDerWaalsContact CG-CB 3.47Å; D647-C689 WeakPolarHBondContact OD2-CB 3.27Å; R671-C689 HydrophobicContact CB-CB 4.35Å; R671-C689 WeakPolarHBondContact CB-O 3.48Å; C673-C689 VanDerWaalsContact SG-SG 3.61Å; C689-N691 PolarHBondContact O-N 2.95Å
690	N	87.3	Confident	90.6	Very high	21 Å²	21	51 Å²	51	11%	0.112	26%	0.255	C	S	.	.			trans	-63.8	128	-176.8	-56.7	88.7	0	0	0	110.8	L688 C692 I693 Q694	L688-N690 PolarHBondContact O-N 3.33Å; N690-C692 VanDerWaalsContact C-N 3.3Å; N690-C692 PolarHBondContact O-N 2.88Å; N690-I693 HydrophobicContact CB-CD1 3.96Å; N690-I693 HydrophobicContact CB-CG1 4.24Å; N690-I693 WeakPolarHBondContact O-CA 3.5Å; N690-I693 WeakPolarHBondContact O-CB 3.35Å; N690-I693 PolarHBondContact O-N 3.09Å; N690-Q694 PolarHBondContact O-N 3.43Å
691	N	85.7	Confident	90.4	Very high	23 Å²	23	50.1 Å²	50.1	12%	0.123	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-36.4	-172.5	-164.7	37.2	0	0	0	113.9	C689 I693 Q694 H695 M711 S790	C689-N691 PolarHBondContact O-N 2.95Å; N691-I693 PolarHBondContact O-N 2.88Å; N691-I693 VanDerWaalsContact O-N 3.16Å; N691-Q694 PolarHBondContact O-N 2.96Å; N691-H695 VanDerWaalsContact CG-CD2 3.47Å; N691-H695 PolarHBondContact ND2-CD2 3.09Å; N691-H695 PolarHBondContact ND2-NE2 2.9Å; N691-H695 PolarHBondContact O-CD2 3.25Å; N691-H695 PolarHBondContact O-N 3.41Å; N691-H695 PolarHBondContact OD1-CD2 2.93Å; N691-H695 PolarHBondContact OD1-NE2 2.93Å; N691-M711 HydrophobicContact CB-CE 3.71Å; N691-M711 WeakPolarHBondContact ND2-CE 3.3Å; N691-S790 PolarHBondContact ND2-OG 2.73Å
692	C	80.3	Confident	90.5	Very high	44 Å²	44	47.7 Å²	47.7	30%	0.297	24%	0.242	S	C	.	.	H	α-helix	trans	-67.8	-6.7	174.5	50.9	0	0	0	0	114.7	N690 K696	N690-C692 VanDerWaalsContact C-N 3.3Å; N690-C692 PolarHBondContact O-N 2.88Å; C692-K696 WeakPolarHBondContact O-CE 3.32Å
693	I	83	Confident	90.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-97.2	-53.6	166.8	-63.6	172.6	0	0	0	109.3	E684 L688 N690 N691 H695 K696 Y697	E684-I693 HydrophobicContact CB-CG2 3.91Å; E684-I693 HydrophobicContact CG-CG2 3.78Å; L688-I693 HydrophobicContact CB-CD1 3.61Å; L688-I693 HydrophobicContact CD1-CD1 3.73Å; L688-I693 HydrophobicContact CG-CD1 4.32Å; N690-I693 HydrophobicContact CB-CD1 3.96Å; N690-I693 HydrophobicContact CB-CG1 4.24Å; N690-I693 WeakPolarHBondContact O-CA 3.5Å; N690-I693 WeakPolarHBondContact O-CB 3.35Å; N690-I693 PolarHBondContact O-N 3.09Å; N691-I693 PolarHBondContact O-N 2.88Å; N691-I693 VanDerWaalsContact O-N 3.16Å; I693-H695 VanDerWaalsContact C-N 3.33Å; I693-H695 PolarHBondContact O-N 2.84Å; I693-K696 VanDerWaalsContact O-CB 3.26Å; I693-K696 WeakPolarHBondContact O-CB 3.42Å; I693-K696 VanDerWaalsContact O-CG 3.24Å; I693-K696 WeakPolarHBondContact O-CG 3.29Å; I693-K696 PolarHBondContact O-N 3.19Å; I693-Y697 HydrophobicContact CG2-CE2 4.2Å; I693-Y697 WeakPolarHBondContact O-CD2 3.35Å
694	Q	91.6	Very high	90.6	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-65.7	-31.6	-170.4	-65.1	-64.2	-18.4	0	0	113.4	S674 E684 S685 L688 N690 N691 K696 Y697	S674-Q694 PolarHBondContact OG-OE1 2.99Å; E684-Q694 PolarHBondContact O-NE2 3.41Å; S685-Q694 PolarHBondContact O-NE2 3.36Å; S685-Q694 PolarHBondContact O-OE1 3.36Å; L688-Q694 PolarHBondContact O-NE2 3.1Å; N690-Q694 PolarHBondContact O-N 3.43Å; N691-Q694 PolarHBondContact O-N 2.96Å; Q694-K696 PolarHBondContact O-N 2.88Å; Q694-K696 VanDerWaalsContact O-N 3.11Å; Q694-Y697 PolarHBondContact O-N 3Å
695	H	86.5	Confident	90.7	Very high	108 Å²	108	55 Å²	55	50%	0.5	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.2	171.3	-80.4	-50.7	0	0	0	114.9	N691 I693 Y697	N691-H695 VanDerWaalsContact CG-CD2 3.47Å; N691-H695 PolarHBondContact ND2-CD2 3.09Å; N691-H695 PolarHBondContact ND2-NE2 2.9Å; N691-H695 PolarHBondContact O-CD2 3.25Å; N691-H695 PolarHBondContact O-N 3.41Å; N691-H695 PolarHBondContact OD1-CD2 2.93Å; N691-H695 PolarHBondContact OD1-NE2 2.93Å; I693-H695 VanDerWaalsContact C-N 3.33Å; I693-H695 PolarHBondContact O-N 2.84Å; H695-Y697 VanDerWaalsContact C-N 3.28Å
696	K	89	Confident	90.9	Very high	128 Å²	128	54.7 Å²	54.7	56%	0.557	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-19.3	173.3	-53.8	171.3	-164.5	164.6	0	112.7	E684 C692 I693 Q694	E684-K696 IonicContact OE1-NZ 3.72Å; E684-K696 PolarHBondContact OE1-NZ 3.41Å; E684-K696 IonicContact OE2-NZ 2.74Å; C692-K696 WeakPolarHBondContact O-CE 3.32Å; I693-K696 VanDerWaalsContact O-CB 3.26Å; I693-K696 WeakPolarHBondContact O-CB 3.42Å; I693-K696 VanDerWaalsContact O-CG 3.24Å; I693-K696 WeakPolarHBondContact O-CG 3.29Å; I693-K696 PolarHBondContact O-N 3.19Å; Q694-K696 PolarHBondContact O-N 2.88Å; Q694-K696 VanDerWaalsContact O-N 3.11Å
697	Y	91.8	Very high	90.8	Very high	87 Å²	87	55.7 Å²	55.7	34%	0.341	29%	0.293	S	S	.	.	S	Bend	trans	-113	143.6	-168.8	-65.6	-84.2	0	0	0	110.9	S674 E684 I693 Q694 H695	S674-Y697 WeakPolarHBondContact OG-CB 3.49Å; E684-Y697 HydrophobicContact CG-CE2 3.82Å; E684-Y697 VanDerWaalsContact CG-OH 3.26Å; E684-Y697 WeakPolarHBondContact CG-OH 3.38Å; E684-Y697 WeakPolarHBondContact OE1-CE2 3.34Å; E684-Y697 PolarHBondContact OE1-OH 3.44Å; I693-Y697 HydrophobicContact CG2-CE2 4.2Å; I693-Y697 WeakPolarHBondContact O-CD2 3.35Å; Q694-Y697 PolarHBondContact O-N 3Å; H695-Y697 VanDerWaalsContact C-N 3.28Å
698	K	92.3	Very high	90.7	Very high	189 Å²	189	61.8 Å²	61.8	82%	0.822	33%	0.326	S	S	*	.			trans	-76.3	146.3	165.9	-67.4	-171.4	176.6	-173	0	109.3	Q675	Q675-K698 PolarHBondContact NE2-O 3.12Å
699	N	94.1	Very high	90.7	Very high	46 Å²	46	63.9 Å²	63.9	25%	0.246	34%	0.336	C	S	.	.			trans	-62.1	134.8	172.4	-61.2	-30.8	0	0	0	109.9	S674 R702 D708 N710	S674-N699 CarbonylContact O-C 3.58Å; S674-N699 WeakPolarHBondContact O-CA 3.28Å; N699-R702 PolarHBondContact ND2-NH2 3.03Å; N699-R702 VanDerWaalsContact ND2-NH2 3.16Å; N699-D708 WeakPolarHBondContact ND2-CA 3.28Å; N699-D708 PolarHBondContact ND2-O 3.33Å; N699-D708 PolarHBondContact ND2-OD1 3.45Å; N699-D708 VanDerWaalsContact ND2-OD1 3.08Å; N699-N710 PolarHBondContact OD1-ND2 3.05Å; N699-N710 PolarHBondContact OD1-OD1 2.75Å; N699-N710 VanDerWaalsContact OD1-OD1 3.12Å
700	G	90.6	Very high	90.9	Very high	23 Å²	23	64.1 Å²	64.1	24%	0.237	34%	0.337	C	S	.	.			trans	-86	-163.3	-179.2	0	0	0	0	0	113.8	S674 R702	S674-G700 PolarHBondContact O-N 2.8Å; G700-R702 PolarHBondContact O-N 3.39Å
701	P	89.6	Confident	91.4	Very high	117 Å²	117	63.2 Å²	63.2	76%	0.76	33%	0.332	S	S	*	.	S	Bend	trans	-76.4	52.2	-179	34.9	-37.7	0	0	0	112.5
702	R	93.3	Very high	91.9	Very high	29 Å²	29	63.1 Å²	63.1	11%	0.109	33%	0.33	C	S	.	.			trans	-92.3	174.4	178.5	72.1	-174.4	-166	173.1	1.7	111.2	C673 E676 N699 G700 S704 L706 P707 N710	C673-R702 PolarHBondContact O-NH1 2.89Å; E676-R702 HydrophobicContact CG-CB 4.23Å; N699-R702 PolarHBondContact ND2-NH2 3.03Å; N699-R702 VanDerWaalsContact ND2-NH2 3.16Å; G700-R702 PolarHBondContact O-N 3.39Å; R702-S704 PolarHBondContact O-N 2.65Å; R702-L706 HydrophobicContact CB-CD1 4.38Å; R702-L706 HydrophobicContact CG-CD1 4.24Å; R702-P707 PolarHBondContact NH2-O 3.06Å; R702-N710 PolarHBondContact NH1-OD1 3.33Å; R702-N710 PolarHBondContact NH2-OD1 2.87Å
703	S	94.8	Very high	92.7	Very high	37 Å²	37	62.3 Å²	62.3	26%	0.259	32%	0.323	S	S	.	.			trans	-64.2	133.7	176.8	-172.9	0	0	0	0	113.3	K705 L706	S703-K705 PolarHBondContact O-N 3.33Å; S703-K705 VanDerWaalsContact O-N 3.11Å; S703-K705 PolarHBondContact OG-N 3.18Å; S703-L706 WeakPolarHBondContact O-CB 3.25Å; S703-L706 PolarHBondContact O-N 3.16Å
704	S	93.4	Very high	93.4	Very high	122 Å²	122	64.7 Å²	64.7	85%	0.853	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-3.2	170.3	53.2	0	0	0	0	114.7	R702 L706	R702-S704 PolarHBondContact O-N 2.65Å; S704-L706 VanDerWaalsContact C-N 3.27Å
705	K	94.2	Very high	93.6	Very high	133 Å²	133	67.9 Å²	67.9	58%	0.578	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-9.6	167.8	-64.3	-169.9	174.6	-166	0	113.2	Y642 S703	Y642-K705 HydrophobicContact CD2-CB 3.87Å; Y642-K705 HydrophobicContact CE1-CB 4.45Å; Y642-K705 HydrophobicContact CE1-CD 3.85Å; Y642-K705 HydrophobicContact CE2-CB 3.41Å; Y642-K705 VanDerWaalsContact CE2-CB 3.41Å; Y642-K705 HydrophobicContact CE2-CD 4.21Å; Y642-K705 HydrophobicContact CE2-CG 4.46Å; S703-K705 PolarHBondContact O-N 3.33Å; S703-K705 VanDerWaalsContact O-N 3.11Å; S703-K705 PolarHBondContact OG-N 3.18Å
706	L	95.6	Very high	94.2	Very high	7 Å²	7	66.7 Å²	66.7	4%	0.037	34%	0.342	C	S	.	.	S	Bend	trans	-89.1	139.3	172.3	-66.6	171.7	0	0	0	110.6	I641 Y642 T644 F672 R702 S703 S704	I641-L706 HydrophobicContact CG2-CD2 4.07Å; Y642-L706 HydrophobicContact CD2-CD2 3.82Å; Y642-L706 HydrophobicContact CD2-CG 3.92Å; Y642-L706 HydrophobicContact CE2-CD2 4.5Å; T644-L706 HydrophobicContact CG2-CD1 3.96Å; T644-L706 WeakPolarHBondContact OG1-CD1 3.44Å; F672-L706 HydrophobicContact CD1-CD2 3.81Å; F672-L706 HydrophobicContact CD2-CD2 4.42Å; F672-L706 HydrophobicContact CE1-CD2 3.66Å; F672-L706 HydrophobicContact CE2-CD2 4.26Å; F672-L706 HydrophobicContact CG-CD2 4.21Å; F672-L706 HydrophobicContact CZ-CD2 3.89Å; R702-L706 HydrophobicContact CB-CD1 4.38Å; R702-L706 HydrophobicContact CG-CD1 4.24Å; S703-L706 WeakPolarHBondContact O-CB 3.25Å; S703-L706 PolarHBondContact O-N 3.16Å; S704-L706 VanDerWaalsContact C-N 3.27Å
707	P	94.5	Very high	94.6	Very high	32 Å²	32	60.6 Å²	60.6	21%	0.208	32%	0.315	C	S	.	.			trans	-73.9	138.4	-178.6	30.8	-33.4	0	0	0	110.5	R702 E709 N710 M711	R702-P707 PolarHBondContact NH2-O 3.06Å; P707-E709 HydrophobicContact CB-CG 4.45Å; P707-E709 PolarHBondContact O-N 3.39Å; P707-N710 WeakPolarHBondContact O-CA 3.27Å; P707-N710 PolarHBondContact O-N 2.61Å; P707-N710 PolarHBondContact O-OD1 2.85Å; P707-M711 WeakPolarHBondContact CG-O 3.49Å
708	D	92.6	Very high	94.8	Very high	130 Å²	130	58.3 Å²	58.3	70%	0.695	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.2	-177.6	-79.9	-49.5	0	0	0	114.2	N699 N710	N699-D708 WeakPolarHBondContact ND2-CA 3.28Å; N699-D708 PolarHBondContact ND2-O 3.33Å; N699-D708 PolarHBondContact ND2-OD1 3.45Å; N699-D708 VanDerWaalsContact ND2-OD1 3.08Å; D708-N710 PolarHBondContact O-N 3.19Å; D708-N710 PolarHBondContact O-OD1 3.02Å
709	E	92.9	Very high	95.1	Very high	61 Å²	61	53.1 Å²	53.1	29%	0.285	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	6.3	172.3	66.1	171.2	-158.5	0	0	114.4	P707 M711 T791 S792	P707-E709 HydrophobicContact CB-CG 4.45Å; P707-E709 PolarHBondContact O-N 3.39Å; E709-M711 VanDerWaalsContact C-N 3.27Å; E709-M711 PolarHBondContact O-N 2.91Å; E709-M711 VanDerWaalsContact O-N 3.17Å; E709-T791 HydrophobicContact CB-CG2 3.98Å; E709-T791 HydrophobicContact CG-CG2 4.41Å; E709-T791 WeakPolarHBondContact O-CG2 3.44Å; E709-T791 WeakPolarHBondContact OE2-CA 3.22Å; E709-T791 WeakPolarHBondContact OE2-CB 3.25Å; E709-S792 WeakPolarHBondContact OE1-CB 3.46Å; E709-S792 PolarHBondContact OE1-N 3.46Å; E709-S792 PolarHBondContact OE1-OG 2.7Å; E709-S792 PolarHBondContact OE2-N 3.27Å
710	N	95.9	Very high	95.2	Very high	8 Å²	8	51.7 Å²	51.7	4%	0.043	28%	0.283	C	S	.	.	S	Bend	trans	60.4	26.3	169.5	-62	-18.7	0	0	0	115.5	R671 F672 N699 R702 P707 D708	R671-N710 CarbonylContact C-O 3.51Å; R671-N710 WeakPolarHBondContact CA-O 3.45Å; F672-N710 HydrophobicContact CB-CB 4.35Å; F672-N710 PolarHBondContact N-O 3.19Å; N699-N710 PolarHBondContact OD1-ND2 3.05Å; N699-N710 PolarHBondContact OD1-OD1 2.75Å; N699-N710 VanDerWaalsContact OD1-OD1 3.12Å; R702-N710 PolarHBondContact NH1-OD1 3.33Å; R702-N710 PolarHBondContact NH2-OD1 2.87Å; P707-N710 WeakPolarHBondContact O-CA 3.27Å; P707-N710 PolarHBondContact O-N 2.61Å; P707-N710 PolarHBondContact O-OD1 2.85Å; D708-N710 PolarHBondContact O-N 3.19Å; D708-N710 PolarHBondContact O-OD1 3.02Å
711	M	96.9	Very high	95.5	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140.2	175.1	-61.5	-169.6	-168.7	0	0	113.7	Y669 L670 N691 P707 E709 T791 V793 T794	Y669-M711 HydrophobicContact CD2-CG 4.3Å; Y669-M711 HydrophobicContact CD2-SD 3.56Å; Y669-M711 VanDerWaalsContact CD2-SD 3.56Å; Y669-M711 HydrophobicContact CE2-CE 4.02Å; Y669-M711 HydrophobicContact CE2-SD 3.48Å; Y669-M711 WeakPolarHBondContact CE2-SD 3.36Å; L670-M711 WeakPolarHBondContact O-CA 3.33Å; L670-M711 WeakPolarHBondContact O-CB 3.41Å; N691-M711 HydrophobicContact CB-CE 3.71Å; N691-M711 WeakPolarHBondContact ND2-CE 3.3Å; P707-M711 WeakPolarHBondContact CG-O 3.49Å; E709-M711 VanDerWaalsContact C-N 3.27Å; E709-M711 PolarHBondContact O-N 2.91Å; E709-M711 VanDerWaalsContact O-N 3.17Å; M711-T791 HydrophobicContact CE-CG2 3.67Å; M711-T791 HydrophobicContact CG-CG2 4.15Å; M711-T791 HydrophobicContact SD-CG2 3.75Å; M711-T791 PolarHBondContact SD-OG1 3.25Å; M711-V793 HydrophobicContact CB-CB 4.22Å; M711-V793 HydrophobicContact CB-CG2 4.2Å; M711-T794 HydrophobicContact CE-CG2 4.18Å; M711-T794 HydrophobicContact SD-CG2 3.63Å
712	W	97.2	Very high	95.8	Very high	20 Å²	20	48.4 Å²	48.4	8%	0.076	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	151.3	165.9	-90.1	-6.9	0	0	0	110.7	I641 Y642 Y669 L670 F672 Q716 W720	I641-W712 HydrophobicContact CD1-CE3 4.28Å; I641-W712 HydrophobicContact CD1-CZ3 3.94Å; I641-W712 HydrophobicContact CG2-CH2 3.64Å; I641-W712 HydrophobicContact CG2-CZ3 3.68Å; Y642-W712 AromaticContact CE2-CH2 3.8Å; Y642-W712 HydrophobicContact CE2-CH2 3.8Å; Y642-W712 HydrophobicContact CE2-CZ2 4.01Å; Y669-W712 CarbonylContact C-O 3.56Å; Y669-W712 WeakPolarHBondContact CA-O 3.46Å; Y669-W712 WeakPolarHBondContact CB-O 3.19Å; L670-W712 HydrophobicContact CB-CB 4.12Å; L670-W712 HydrophobicContact CD2-CB 4.48Å; L670-W712 HydrophobicContact CD2-CE3 4.25Å; L670-W712 PolarHBondContact N-O 3.41Å; L670-W712 PolarHBondContact O-N 2.67Å; F672-W712 HydrophobicContact CE2-CB 3.81Å; F672-W712 AromaticContact CE2-CD2 3.88Å; F672-W712 HydrophobicContact CE2-CD2 3.88Å; F672-W712 HydrophobicContact CE2-CE3 4.33Å; F672-W712 AromaticContact CE2-CG 3.65Å; F672-W712 HydrophobicContact CE2-CG 3.65Å; F672-W712 HydrophobicContact CZ-CB 4.26Å; F672-W712 AromaticContact CZ-CD2 3.72Å; F672-W712 HydrophobicContact CZ-CD2 3.72Å; F672-W712 AromaticContact CZ-CE3 3.73Å; F672-W712 HydrophobicContact CZ-CE3 3.73Å; F672-W712 AromaticContact CZ-CG 3.99Å; F672-W712 HydrophobicContact CZ-CG 3.99Å; F672-W712 HydrophobicContact CZ-CZ3 4.33Å; W712-Q716 VanDerWaalsContact CA-OE1 3.23Å; W712-Q716 HydrophobicContact CB-CB 4.03Å; W712-Q716 VanDerWaalsContact CD1-OE1 3.25Å; W712-Q716 HydrophobicContact CD2-CB 3.99Å; W712-Q716 HydrophobicContact CE3-CB 4.4Å; W712-Q716 HydrophobicContact CG-CB 3.8Å; W712-W720 HydrophobicContact CH2-CB 3.98Å; W712-W720 AromaticContact CH2-CD1 3.92Å; W712-W720 HydrophobicContact CH2-CG 4.02Å; W712-W720 HydrophobicContact CZ3-CB 3.66Å; W712-W720 AromaticContact CZ3-CG 3.86Å; W712-W720 HydrophobicContact CZ3-CG 3.86Å
713	T	97.7	Very high	96	Very high	27 Å²	27	52.7 Å²	52.7	17%	0.166	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	164.8	162.7	81.8	0	0	0	0	110.8	E715 Q716 F717 V793 Y797	T713-E715 VanDerWaalsContact C-N 3.29Å; T713-E715 WeakPolarHBondContact CB-OE2 3.49Å; T713-E715 PolarHBondContact O-N 3.14Å; T713-E715 PolarHBondContact OG1-N 3.04Å; T713-E715 PolarHBondContact OG1-OE2 3.49Å; T713-Q716 PolarHBondContact O-N 3.04Å; T713-Q716 PolarHBondContact OG1-N 2.83Å; T713-F717 PolarHBondContact O-N 3.48Å; T713-V793 HydrophobicContact CG2-CG1 4.18Å; T713-V793 HydrophobicContact CG2-CG2 4.01Å; T713-Y797 WeakPolarHBondContact CB-OH 3.16Å; T713-Y797 HydrophobicContact CG2-CE2 4.29Å
714	W	96.8	Very high	95.9	Very high	51 Å²	51	55.1 Å²	55.1	19%	0.193	29%	0.285	C	S	.	.	H	α-helix	trans	-69.3	-28.2	175.1	74.6	-87.6	0	0	0	112.2	D667 C668 F717 Q718 W730 Y797	D667-W714 PolarHBondContact OD1-NE1 3.41Å; C668-W714 PolarHBondContact O-N 3.02Å; W714-F717 PolarHBondContact O-N 3.35Å; W714-Q718 HydrophobicContact CE3-CB 4.36Å; W714-Q718 HydrophobicContact CZ3-CB 4.44Å; W714-Q718 VanDerWaalsContact O-CB 3.31Å; W714-Q718 WeakPolarHBondContact O-CB 3.43Å; W714-Q718 PolarHBondContact O-N 2.7Å; W714-W730 HydrophobicContact CB-CZ2 4.08Å; W714-W730 AromaticContact CE3-CD1 3.75Å; W714-W730 AromaticContact CE3-CE2 3.84Å; W714-W730 HydrophobicContact CE3-CZ2 4.37Å; W714-W730 AromaticContact CE3-NE1 3.21Å; W714-W730 HydrophobicContact CG-CZ2 4.47Å; W714-W730 AromaticContact CZ3-CD1 3.74Å; W714-W730 AromaticContact CZ3-NE1 3.52Å; W714-Y797 VanDerWaalsContact CD1-OH 3.26Å
715	E	96.5	Very high	96	Very high	69 Å²	69	51.8 Å²	51.8	32%	0.322	27%	0.27	S	S	.	.	H	α-helix	trans	-66	-39.2	173.9	-52.7	86.6	168.3	0	0	111	T713 Q718 T719 Y797	T713-E715 VanDerWaalsContact C-N 3.29Å; T713-E715 WeakPolarHBondContact CB-OE2 3.49Å; T713-E715 PolarHBondContact O-N 3.14Å; T713-E715 PolarHBondContact OG1-N 3.04Å; T713-E715 PolarHBondContact OG1-OE2 3.49Å; E715-Q718 PolarHBondContact O-N 3.48Å; E715-T719 PolarHBondContact O-N 2.82Å; E715-T719 PolarHBondContact O-OG1 2.89Å; E715-T719 VanDerWaalsContact O-OG1 3.04Å; E715-Y797 PolarHBondContact OE1-OH 3.17Å; E715-Y797 PolarHBondContact OE2-OH 3.48Å
716	Q	97.7	Very high	95.9	Very high	82 Å²	82	49.2 Å²	49.2	38%	0.383	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-41.6	173.8	-70.8	173.9	-46.3	0	0	111.7	W712 T713 T719 W720	W712-Q716 VanDerWaalsContact CA-OE1 3.23Å; W712-Q716 HydrophobicContact CB-CB 4.03Å; W712-Q716 VanDerWaalsContact CD1-OE1 3.25Å; W712-Q716 HydrophobicContact CD2-CB 3.99Å; W712-Q716 HydrophobicContact CE3-CB 4.4Å; W712-Q716 HydrophobicContact CG-CB 3.8Å; T713-Q716 PolarHBondContact O-N 3.04Å; T713-Q716 PolarHBondContact OG1-N 2.83Å; Q716-T719 PolarHBondContact O-N 3.26Å; Q716-W720 PolarHBondContact O-N 3.17Å
717	F	97.6	Very high	95.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.3	-40.2	173.3	179.8	-129.5	0	0	0	112.4	L639 I641 F646 I648 L670 T713 W714 W720 L721 W730 I734 L769	L639-F717 HydrophobicContact CD2-CE2 4.46Å; L639-F717 HydrophobicContact CD2-CZ 4.35Å; I641-F717 HydrophobicContact CD1-CD2 3.8Å; I641-F717 HydrophobicContact CD1-CE2 3.92Å; F646-F717 HydrophobicContact CE2-CE2 4.44Å; F646-F717 AromaticContact CZ-CE2 3.97Å; F646-F717 HydrophobicContact CZ-CE2 3.97Å; F646-F717 HydrophobicContact CZ-CZ 4.19Å; I648-F717 HydrophobicContact CD1-CE1 4.2Å; L670-F717 HydrophobicContact CD1-CB 3.76Å; L670-F717 HydrophobicContact CD1-CD1 4.23Å; L670-F717 HydrophobicContact CD1-CG 4.07Å; L670-F717 HydrophobicContact CD2-CB 3.77Å; L670-F717 HydrophobicContact CD2-CD1 4.48Å; L670-F717 HydrophobicContact CD2-CD2 3.78Å; L670-F717 HydrophobicContact CD2-CG 3.77Å; L670-F717 HydrophobicContact CG-CB 4.45Å; T713-F717 PolarHBondContact O-N 3.48Å; W714-F717 PolarHBondContact O-N 3.35Å; F717-W720 AromaticContact CD2-CE3 3.94Å; F717-W720 HydrophobicContact CD2-CE3 3.94Å; F717-W720 AromaticContact CE2-CE3 3.74Å; F717-W720 HydrophobicContact CE2-CE3 3.74Å; F717-W720 AromaticContact CE2-CZ3 3.9Å; F717-W720 HydrophobicContact CE2-CZ3 3.9Å; F717-W720 WeakPolarHBondContact O-CB 3.45Å; F717-W720 PolarHBondContact O-N 2.8Å; F717-L721 HydrophobicContact CD1-CD1 4.18Å; F717-L721 HydrophobicContact CD2-CG 4.35Å; F717-L721 HydrophobicContact CE1-CD1 3.81Å; F717-L721 HydrophobicContact CE1-CG 4.38Å; F717-L721 HydrophobicContact CE2-CD1 4.34Å; F717-L721 HydrophobicContact CE2-CD2 4.11Å; F717-L721 HydrophobicContact CE2-CG 4.02Å; F717-L721 HydrophobicContact CZ-CD1 3.89Å; F717-L721 HydrophobicContact CZ-CD2 4.08Å; F717-L721 HydrophobicContact CZ-CG 4.04Å; F717-L721 WeakPolarHBondContact O-CG 3.29Å; F717-L721 PolarHBondContact O-N 3.38Å; F717-W730 HydrophobicContact CD1-CE3 4.02Å; F717-W730 HydrophobicContact CD1-CZ3 4.09Å; F717-W730 AromaticContact CE1-CE3 3.98Å; F717-W730 HydrophobicContact CE1-CE3 3.98Å; F717-W730 HydrophobicContact CE1-CZ3 4.08Å; F717-I734 HydrophobicContact CE1-CD1 4.15Å; F717-I734 HydrophobicContact CZ-CD1 4.34Å; F717-L769 HydrophobicContact CZ-CD2 4.42Å
718	Q	96.8	Very high	95.8	Very high	39 Å²	39	54.4 Å²	54.4	18%	0.182	29%	0.289	C	S	.	.	H	α-helix	trans	-66.4	-34.9	175.8	171.5	61.4	-1.1	0	0	112.5	W714 E715 T722 P727	W714-Q718 HydrophobicContact CE3-CB 4.36Å; W714-Q718 HydrophobicContact CZ3-CB 4.44Å; W714-Q718 VanDerWaalsContact O-CB 3.31Å; W714-Q718 WeakPolarHBondContact O-CB 3.43Å; W714-Q718 PolarHBondContact O-N 2.7Å; E715-Q718 PolarHBondContact O-N 3.48Å; Q718-T722 PolarHBondContact O-N 2.77Å; Q718-T722 PolarHBondContact O-OG1 3.3Å; Q718-P727 PolarHBondContact NE2-O 2.98Å
719	T	97.5	Very high	96	Very high	81 Å²	81	49.1 Å²	49.1	50%	0.497	26%	0.261	S	S	.	.	H	α-helix	trans	-64	-47.2	168.8	-58.8	0	0	0	0	110.7	E715 Q716 L721 T722 E723	E715-T719 PolarHBondContact O-N 2.82Å; E715-T719 PolarHBondContact O-OG1 2.89Å; E715-T719 VanDerWaalsContact O-OG1 3.04Å; Q716-T719 PolarHBondContact O-N 3.26Å; T719-L721 PolarHBondContact O-N 3.22Å; T719-T722 CarbonylContact O-C 3.5Å; T719-T722 WeakPolarHBondContact O-CA 3.25Å; T719-T722 VanDerWaalsContact O-CB 3.28Å; T719-T722 WeakPolarHBondContact O-CB 3.18Å; T719-T722 PolarHBondContact O-N 2.89Å; T719-E723 PolarHBondContact O-N 2.79Å
720	W	97.4	Very high	96.1	Very high	15 Å²	15	46.4 Å²	46.4	6%	0.057	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-40.9	176.2	-179.9	81.9	0	0	0	112.9	L639 I641 Y642 W712 Q716 F717 T722 E723 Q724	L639-W720 HydrophobicContact CD1-CH2 4.26Å; L639-W720 HydrophobicContact CD2-CZ3 4.34Å; I641-W720 HydrophobicContact CD1-CD2 4.48Å; I641-W720 HydrophobicContact CD1-CE3 4.31Å; I641-W720 HydrophobicContact CG1-CD2 4.1Å; I641-W720 HydrophobicContact CG1-CE3 4.11Å; I641-W720 HydrophobicContact CG1-CH2 3.95Å; I641-W720 HydrophobicContact CG1-CZ2 3.94Å; I641-W720 HydrophobicContact CG1-CZ3 4.04Å; Y642-W720 AromaticContact CE1-NE1 3.99Å; Y642-W720 AromaticContact CZ-CD1 3.86Å; Y642-W720 AromaticContact CZ-NE1 3.89Å; W712-W720 HydrophobicContact CH2-CB 3.98Å; W712-W720 AromaticContact CH2-CD1 3.92Å; W712-W720 HydrophobicContact CH2-CG 4.02Å; W712-W720 HydrophobicContact CZ3-CB 3.66Å; W712-W720 AromaticContact CZ3-CG 3.86Å; W712-W720 HydrophobicContact CZ3-CG 3.86Å; Q716-W720 PolarHBondContact O-N 3.17Å; F717-W720 AromaticContact CD2-CE3 3.94Å; F717-W720 HydrophobicContact CD2-CE3 3.94Å; F717-W720 AromaticContact CE2-CE3 3.74Å; F717-W720 HydrophobicContact CE2-CE3 3.74Å; F717-W720 AromaticContact CE2-CZ3 3.9Å; F717-W720 HydrophobicContact CE2-CZ3 3.9Å; F717-W720 WeakPolarHBondContact O-CB 3.45Å; F717-W720 PolarHBondContact O-N 2.8Å; W720-T722 VanDerWaalsContact C-N 3.29Å; W720-T722 PolarHBondContact O-N 2.97Å; W720-E723 WeakPolarHBondContact O-CB 3.31Å; W720-E723 PolarHBondContact O-N 3.42Å; W720-E723 VanDerWaalsContact O-N 3.16Å; W720-Q724 HydrophobicContact CD2-CG 4.01Å; W720-Q724 HydrophobicContact CE3-CG 4.1Å; W720-Q724 HydrophobicContact CH2-CG 3.73Å; W720-Q724 HydrophobicContact CZ2-CG 3.62Å; W720-Q724 HydrophobicContact CZ3-CG 3.97Å; W720-Q724 WeakPolarHBondContact O-CG 3.38Å; W720-Q724 PolarHBondContact O-N 2.97Å
721	L	96.5	Very high	96.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.6	-37.1	172.5	-73.6	177.1	0	0	0	112	F717 T719 Q724 G725 Q726 L729 W730 I734 Y774	F717-L721 HydrophobicContact CD1-CD1 4.18Å; F717-L721 HydrophobicContact CD2-CG 4.35Å; F717-L721 HydrophobicContact CE1-CD1 3.81Å; F717-L721 HydrophobicContact CE1-CG 4.38Å; F717-L721 HydrophobicContact CE2-CD1 4.34Å; F717-L721 HydrophobicContact CE2-CD2 4.11Å; F717-L721 HydrophobicContact CE2-CG 4.02Å; F717-L721 HydrophobicContact CZ-CD1 3.89Å; F717-L721 HydrophobicContact CZ-CD2 4.08Å; F717-L721 HydrophobicContact CZ-CG 4.04Å; F717-L721 WeakPolarHBondContact O-CG 3.29Å; F717-L721 PolarHBondContact O-N 3.38Å; T719-L721 PolarHBondContact O-N 3.22Å; L721-Q724 CarbonylContact O-C 3.59Å; L721-Q724 PolarHBondContact O-N 3.49Å; L721-G725 PolarHBondContact O-N 3.11Å; L721-Q726 CarbonylContact O-C 3.55Å; L721-Q726 WeakPolarHBondContact O-CA 3.39Å; L721-Q726 WeakPolarHBondContact O-CB 3.32Å; L721-Q726 PolarHBondContact O-N 3.39Å; L721-L729 HydrophobicContact CD2-CD2 4.11Å; L721-W730 HydrophobicContact CD1-CB 4.26Å; L721-I734 HydrophobicContact CD1-CD1 3.82Å; L721-Y774 HydrophobicContact CD2-CD1 4.41Å; L721-Y774 HydrophobicContact CD2-CE1 3.93Å
722	T	96.8	Very high	96	Very high	71 Å²	71	56.7 Å²	56.7	44%	0.436	30%	0.302	S	S	.	.	H	α-helix	trans	-65	-40.8	173	-57.8	0	0	0	0	111.3	Q718 T719 W720 Q724 G725 P727	Q718-T722 PolarHBondContact O-N 2.77Å; Q718-T722 PolarHBondContact O-OG1 3.3Å; T719-T722 CarbonylContact O-C 3.5Å; T719-T722 WeakPolarHBondContact O-CA 3.25Å; T719-T722 VanDerWaalsContact O-CB 3.28Å; T719-T722 WeakPolarHBondContact O-CB 3.18Å; T719-T722 PolarHBondContact O-N 2.89Å; W720-T722 VanDerWaalsContact C-N 3.29Å; W720-T722 PolarHBondContact O-N 2.97Å; T722-Q724 VanDerWaalsContact C-N 3.3Å; T722-Q724 PolarHBondContact O-N 3.3Å; T722-G725 PolarHBondContact O-N 3.41Å; T722-P727 HydrophobicContact CG2-CB 4.23Å
723	E	95.7	Very high	95.8	Very high	120 Å²	120	59.9 Å²	59.9	56%	0.561	32%	0.317	S	S	*	.	H	α-helix	trans	-62.3	-33.2	171.5	-65.8	178.6	-176	0	0	112.7	T719 W720 G725	T719-E723 PolarHBondContact O-N 2.79Å; W720-E723 WeakPolarHBondContact O-CB 3.31Å; W720-E723 PolarHBondContact O-N 3.42Å; W720-E723 VanDerWaalsContact O-N 3.16Å; E723-G725 PolarHBondContact O-N 3.47Å
724	Q	93.5	Very high	95.8	Very high	88 Å²	88	58.6 Å²	58.6	41%	0.411	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	7.5	172.8	-55.7	-37	-76.9	0	0	113.3	W720 L721 T722 Q726	W720-Q724 HydrophobicContact CD2-CG 4.01Å; W720-Q724 HydrophobicContact CE3-CG 4.1Å; W720-Q724 HydrophobicContact CH2-CG 3.73Å; W720-Q724 HydrophobicContact CZ2-CG 3.62Å; W720-Q724 HydrophobicContact CZ3-CG 3.97Å; W720-Q724 WeakPolarHBondContact O-CG 3.38Å; W720-Q724 PolarHBondContact O-N 2.97Å; L721-Q724 CarbonylContact O-C 3.59Å; L721-Q724 PolarHBondContact O-N 3.49Å; T722-Q724 VanDerWaalsContact C-N 3.3Å; T722-Q724 PolarHBondContact O-N 3.3Å; Q724-Q726 VanDerWaalsContact C-N 3.33Å; Q724-Q726 PolarHBondContact O-N 3.06Å
725	G	94.9	Very high	95.8	Very high	51 Å²	51	57.6 Å²	57.6	53%	0.526	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	22.5	-179.1	0	0	0	0	0	114.5	L721 T722 E723 P727	L721-G725 PolarHBondContact O-N 3.11Å; T722-G725 PolarHBondContact O-N 3.41Å; E723-G725 PolarHBondContact O-N 3.47Å; G725-P727 WeakPolarHBondContact O-CD 3.44Å
726	Q	93.4	Very high	95.9	Very high	80 Å²	80	56.4 Å²	56.4	37%	0.374	31%	0.305	S	S	.	.			trans	-118.9	50.4	-177.9	-60.2	-56.4	-54.9	0	0	112.9	L721 Q724 N728 L729	L721-Q726 CarbonylContact O-C 3.55Å; L721-Q726 WeakPolarHBondContact O-CA 3.39Å; L721-Q726 WeakPolarHBondContact O-CB 3.32Å; L721-Q726 PolarHBondContact O-N 3.39Å; Q724-Q726 VanDerWaalsContact C-N 3.33Å; Q724-Q726 PolarHBondContact O-N 3.06Å; Q726-N728 VanDerWaalsContact C-N 3.31Å; Q726-N728 PolarHBondContact O-N 3.5Å; Q726-N728 VanDerWaalsContact O-N 3.14Å; Q726-L729 HydrophobicContact CB-CB 3.96Å; Q726-L729 HydrophobicContact CB-CD2 3.96Å; Q726-L729 HydrophobicContact CG-CD2 4.27Å; Q726-L729 WeakPolarHBondContact O-CB 3.32Å; Q726-L729 PolarHBondContact O-N 2.83Å; Q726-L729 VanDerWaalsContact O-N 3.16Å
727	P	93.4	Very high	95.8	Very high	60 Å²	60	54.1 Å²	54.1	39%	0.39	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-27.9	-166.2	25.5	-36.3	0	0	0	115.4	Q718 T722 G725	Q718-P727 PolarHBondContact NE2-O 2.98Å; T722-P727 HydrophobicContact CG2-CB 4.23Å; G725-P727 WeakPolarHBondContact O-CD 3.44Å
728	N	94.5	Very high	95.9	Very high	87 Å²	87	54.1 Å²	54.1	47%	0.465	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-7.6	-178.2	-63.4	9.9	0	0	0	113.5	Q726 W730 T731 E732	Q726-N728 VanDerWaalsContact C-N 3.31Å; Q726-N728 PolarHBondContact O-N 3.5Å; Q726-N728 VanDerWaalsContact O-N 3.14Å; N728-W730 VanDerWaalsContact C-N 3.29Å; N728-W730 PolarHBondContact O-N 3.12Å; N728-T731 PolarHBondContact O-N 3.09Å; N728-E732 HydrophobicContact CB-CG 3.96Å; N728-E732 VanDerWaalsContact CB-OE1 3.29Å; N728-E732 WeakPolarHBondContact CB-OE1 3.22Å; N728-E732 WeakPolarHBondContact CB-OE2 3.31Å; N728-E732 PolarHBondContact ND2-OE1 3.19Å; N728-E732 PolarHBondContact O-N 2.78Å
729	L	95.3	Very high	95.9	Very high	20 Å²	20	53.7 Å²	53.7	11%	0.105	30%	0.297	C	S	.	.	H	α-helix	trans	-62.4	-32.8	-163.4	-174	70.5	0	0	0	113.7	L721 Q726 K733 I734 Y774	L721-L729 HydrophobicContact CD2-CD2 4.11Å; Q726-L729 HydrophobicContact CB-CB 3.96Å; Q726-L729 HydrophobicContact CB-CD2 3.96Å; Q726-L729 HydrophobicContact CG-CD2 4.27Å; Q726-L729 WeakPolarHBondContact O-CB 3.32Å; Q726-L729 PolarHBondContact O-N 2.83Å; Q726-L729 VanDerWaalsContact O-N 3.16Å; L729-K733 HydrophobicContact CD1-CB 3.95Å; L729-K733 HydrophobicContact CD1-CD 3.89Å; L729-K733 WeakPolarHBondContact O-CB 3.27Å; L729-K733 PolarHBondContact O-N 2.81Å; L729-K733 VanDerWaalsContact O-N 3.08Å; L729-I734 HydrophobicContact CD2-CD1 4.08Å; L729-I734 HydrophobicContact CG-CD1 3.94Å; L729-I734 HydrophobicContact CG-CG1 4.25Å; L729-I734 PolarHBondContact O-N 3Å; L729-Y774 HydrophobicContact CD2-CD1 3.53Å; L729-Y774 HydrophobicContact CD2-CD2 3.88Å; L729-Y774 HydrophobicContact CD2-CE1 3.88Å; L729-Y774 HydrophobicContact CD2-CE2 4.21Å; L729-Y774 HydrophobicContact CD2-CG 3.53Å
730	W	96.1	Very high	95.8	Very high	3 Å²	3	54 Å²	54	1%	0.011	30%	0.296	C	S	.	.	I	π-helix	trans	-57.9	-53.3	172.6	179.3	-113.4	0	0	0	112	I648 C668 W714 F717 L721 N728 I734 Q735 M738	I648-W730 HydrophobicContact CD1-CH2 4.49Å; I648-W730 HydrophobicContact CD1-CZ3 4.02Å; C668-W730 WeakPolarHBondContact SG-CH2 3.2Å; W714-W730 HydrophobicContact CB-CZ2 4.08Å; W714-W730 AromaticContact CE3-CD1 3.75Å; W714-W730 AromaticContact CE3-CE2 3.84Å; W714-W730 HydrophobicContact CE3-CZ2 4.37Å; W714-W730 AromaticContact CE3-NE1 3.21Å; W714-W730 HydrophobicContact CG-CZ2 4.47Å; W714-W730 AromaticContact CZ3-CD1 3.74Å; W714-W730 AromaticContact CZ3-NE1 3.52Å; F717-W730 HydrophobicContact CD1-CE3 4.02Å; F717-W730 HydrophobicContact CD1-CZ3 4.09Å; F717-W730 AromaticContact CE1-CE3 3.98Å; F717-W730 HydrophobicContact CE1-CE3 3.98Å; F717-W730 HydrophobicContact CE1-CZ3 4.08Å; L721-W730 HydrophobicContact CD1-CB 4.26Å; N728-W730 VanDerWaalsContact C-N 3.29Å; N728-W730 PolarHBondContact O-N 3.12Å; W730-I734 HydrophobicContact CE3-CB 3.93Å; W730-I734 HydrophobicContact CE3-CD1 4.41Å; W730-I734 HydrophobicContact CE3-CG2 3.64Å; W730-I734 HydrophobicContact CZ3-CB 4.32Å; W730-I734 HydrophobicContact CZ3-CG2 3.53Å; W730-I734 PolarHBondContact O-N 3.07Å; W730-Q735 HydrophobicContact CD2-CB 4.47Å; W730-Q735 HydrophobicContact CZ2-CB 4.35Å; W730-Q735 HydrophobicContact CZ2-CG 4.38Å; W730-Q735 WeakPolarHBondContact O-CB 3.3Å; W730-Q735 PolarHBondContact O-N 3.16Å; W730-M738 HydrophobicContact CH2-CE 4.48Å; W730-M738 HydrophobicContact CH2-SD 4.18Å; W730-M738 HydrophobicContact CZ3-SD 4.22Å
731	T	95.2	Very high	95.8	Very high	92 Å²	92	53.3 Å²	53.3	56%	0.564	29%	0.294	S	S	*	.	I	π-helix	trans	-76.6	-38.8	-173.5	-50.1	0	0	0	0	112.6	N728 P736	N728-T731 PolarHBondContact O-N 3.09Å; T731-P736 WeakPolarHBondContact O-CD 3.12Å; T731-P736 WeakPolarHBondContact O-CG 3.44Å
732	E	94.8	Very high	95.9	Very high	135 Å²	135	53.3 Å²	53.3	63%	0.631	29%	0.294	S	S	*	.	I	π-helix	trans	-83.9	-30.1	-175.8	-72	174.6	-176.9	0	0	113.3	N728	N728-E732 HydrophobicContact CB-CG 3.96Å; N728-E732 VanDerWaalsContact CB-OE1 3.29Å; N728-E732 WeakPolarHBondContact CB-OE1 3.22Å; N728-E732 WeakPolarHBondContact CB-OE2 3.31Å; N728-E732 PolarHBondContact ND2-OE1 3.19Å; N728-E732 PolarHBondContact O-N 2.78Å
733	K	94.6	Very high	95.8	Very high	87 Å²	87	51.1 Å²	51.1	38%	0.378	28%	0.279	S	S	.	.	I	π-helix	trans	-128.1	-56	-171.5	-168.3	176.4	-177.8	176.4	0	114.6	L729 A737 D773	L729-K733 HydrophobicContact CD1-CB 3.95Å; L729-K733 HydrophobicContact CD1-CD 3.89Å; L729-K733 WeakPolarHBondContact O-CB 3.27Å; L729-K733 PolarHBondContact O-N 2.81Å; L729-K733 VanDerWaalsContact O-N 3.08Å; K733-A737 WeakPolarHBondContact O-CB 3.35Å; K733-A737 PolarHBondContact O-N 3.4Å; K733-A737 VanDerWaalsContact O-N 3.09Å; K733-D773 PolarHBondContact NZ-O 2.97Å
734	I	97.2	Very high	95.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.26	C	S	.	.	I	π-helix	trans	-69	-56.8	-167.2	-61.4	166.5	0	0	0	110.9	F717 L721 L729 W730 A737 M738 L769 I776	F717-I734 HydrophobicContact CE1-CD1 4.15Å; F717-I734 HydrophobicContact CZ-CD1 4.34Å; L721-I734 HydrophobicContact CD1-CD1 3.82Å; L729-I734 HydrophobicContact CD2-CD1 4.08Å; L729-I734 HydrophobicContact CG-CD1 3.94Å; L729-I734 HydrophobicContact CG-CG1 4.25Å; L729-I734 PolarHBondContact O-N 3Å; W730-I734 HydrophobicContact CE3-CB 3.93Å; W730-I734 HydrophobicContact CE3-CD1 4.41Å; W730-I734 HydrophobicContact CE3-CG2 3.64Å; W730-I734 HydrophobicContact CZ3-CB 4.32Å; W730-I734 HydrophobicContact CZ3-CG2 3.53Å; W730-I734 PolarHBondContact O-N 3.07Å; I734-A737 PolarHBondContact O-N 3.02Å; I734-M738 HydrophobicContact CG2-SD 3.79Å; I734-M738 WeakPolarHBondContact O-CG 3.17Å; I734-M738 PolarHBondContact O-N 3.01Å; I734-L769 HydrophobicContact CD1-CD2 3.73Å; I734-L769 HydrophobicContact CG1-CD2 3.91Å; I734-L769 HydrophobicContact CG2-CD2 4.09Å; I734-I776 HydrophobicContact CB-CG2 4.46Å; I734-I776 HydrophobicContact CG2-CG2 3.86Å
735	Q	96.9	Very high	95.8	Very high	30 Å²	30	42.6 Å²	42.6	14%	0.14	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-42.8	-178.2	-164.7	-160	78.4	0	0	112.7	W664 W730 A737 M738 K739	W664-Q735 HydrophobicContact CZ2-CG 4.05Å; W730-Q735 HydrophobicContact CD2-CB 4.47Å; W730-Q735 HydrophobicContact CZ2-CB 4.35Å; W730-Q735 HydrophobicContact CZ2-CG 4.38Å; W730-Q735 WeakPolarHBondContact O-CB 3.3Å; W730-Q735 PolarHBondContact O-N 3.16Å; Q735-A737 VanDerWaalsContact C-N 3.33Å; Q735-A737 PolarHBondContact O-N 3.25Å; Q735-M738 PolarHBondContact O-N 2.69Å; Q735-K739 HydrophobicContact CG-CD 4.34Å; Q735-K739 WeakPolarHBondContact O-CB 3.38Å; Q735-K739 WeakPolarHBondContact O-CG 3.3Å; Q735-K739 PolarHBondContact O-N 2.82Å
736	P	97.2	Very high	95.8	Very high	44 Å²	44	40.2 Å²	40.2	29%	0.286	22%	0.215	S	C	.	.	H	α-helix	trans	-58.8	-39.5	172.5	-26.5	36.1	0	0	0	113.7	T731 K739 N740	T731-P736 WeakPolarHBondContact O-CD 3.12Å; T731-P736 WeakPolarHBondContact O-CG 3.44Å; P736-K739 PolarHBondContact O-N 3.19Å; P736-N740 WeakPolarHBondContact O-CB 3.49Å; P736-N740 VanDerWaalsContact O-CG 3.27Å; P736-N740 PolarHBondContact O-N 3.14Å; P736-N740 PolarHBondContact O-ND2 3.18Å
737	A	97	Very high	95.7	Very high	34 Å²	34	37.6 Å²	37.6	28%	0.281	20%	0.204	S	C	.	.	H	α-helix	trans	-69	-41.1	178.2	0	0	0	0	0	112.1	K733 I734 Q735 N740 A741 I776	K733-A737 WeakPolarHBondContact O-CB 3.35Å; K733-A737 PolarHBondContact O-N 3.4Å; K733-A737 VanDerWaalsContact O-N 3.09Å; I734-A737 PolarHBondContact O-N 3.02Å; Q735-A737 VanDerWaalsContact C-N 3.33Å; Q735-A737 PolarHBondContact O-N 3.25Å; A737-N740 PolarHBondContact O-N 2.88Å; A737-A741 WeakPolarHBondContact O-CB 3.49Å; A737-A741 PolarHBondContact O-N 3.27Å; A737-I776 HydrophobicContact CB-CD1 4.31Å; A737-I776 HydrophobicContact CB-CG1 3.46Å; A737-I776 VanDerWaalsContact CB-CG1 3.46Å; A737-I776 HydrophobicContact CB-CG2 4.43Å
738	M	98.4	Very high	95.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-42.9	173.9	-64.7	163.4	60.7	0	0	111.6	I648 Q650 W664 W730 I734 Q735 A741 V742 F767 I776	I648-M738 HydrophobicContact CD1-SD 4.49Å; I648-M738 HydrophobicContact CG2-CE 3.9Å; Q650-M738 HydrophobicContact CB-CE 3.8Å; Q650-M738 HydrophobicContact CG-CE 4.04Å; W664-M738 HydrophobicContact CH2-CB 3.71Å; W664-M738 HydrophobicContact CZ2-CB 4.27Å; W730-M738 HydrophobicContact CH2-CE 4.48Å; W730-M738 HydrophobicContact CH2-SD 4.18Å; W730-M738 HydrophobicContact CZ3-SD 4.22Å; I734-M738 HydrophobicContact CG2-SD 3.79Å; I734-M738 WeakPolarHBondContact O-CG 3.17Å; I734-M738 PolarHBondContact O-N 3.01Å; Q735-M738 PolarHBondContact O-N 2.69Å; M738-A741 PolarHBondContact O-N 3.4Å; M738-V742 PolarHBondContact O-N 3.35Å; M738-V742 VanDerWaalsContact O-N 3.1Å; M738-F767 HydrophobicContact CB-CD2 4.43Å; M738-F767 HydrophobicContact CB-CE1 4.13Å; M738-F767 HydrophobicContact CB-CE2 3.98Å; M738-F767 HydrophobicContact CB-CZ 3.82Å; M738-F767 HydrophobicContact CE-CD2 3.67Å; M738-F767 HydrophobicContact CE-CE2 4.02Å; M738-F767 HydrophobicContact CE-CG 4.25Å; M738-F767 HydrophobicContact CG-CD1 4.04Å; M738-F767 HydrophobicContact CG-CD2 4.14Å; M738-F767 HydrophobicContact CG-CE1 4.12Å; M738-F767 HydrophobicContact CG-CE2 4.19Å; M738-F767 HydrophobicContact CG-CG 4.05Å; M738-F767 HydrophobicContact CG-CZ 4.18Å; M738-I776 HydrophobicContact CG-CB 4.2Å; M738-I776 HydrophobicContact CG-CG1 4.24Å; M738-I776 HydrophobicContact CG-CG2 4.01Å
739	K	98.1	Very high	95.3	Very high	29 Å²	29	30.8 Å²	30.8	13%	0.126	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-48.6	174.7	-79.2	169	169.2	175.3	0	112	W664 Q735 P736 V742 L743 E824 L826	W664-K739 VanDerWaalsContact CD1-CE 3.48Å; W664-K739 HydrophobicContact CD2-CD 4.4Å; W664-K739 HydrophobicContact CD2-CG 3.63Å; W664-K739 HydrophobicContact CE3-CG 3.7Å; W664-K739 HydrophobicContact CG-CG 4.3Å; W664-K739 HydrophobicContact CH2-CB 4.33Å; W664-K739 HydrophobicContact CH2-CG 3.67Å; W664-K739 HydrophobicContact CZ2-CG 3.65Å; W664-K739 HydrophobicContact CZ3-CB 4.27Å; W664-K739 HydrophobicContact CZ3-CG 3.72Å; Q735-K739 HydrophobicContact CG-CD 4.34Å; Q735-K739 WeakPolarHBondContact O-CB 3.38Å; Q735-K739 WeakPolarHBondContact O-CG 3.3Å; Q735-K739 PolarHBondContact O-N 2.82Å; P736-K739 PolarHBondContact O-N 3.19Å; K739-V742 PolarHBondContact O-N 3.19Å; K739-L743 WeakPolarHBondContact O-CB 3.41Å; K739-L743 PolarHBondContact O-N 3.03Å; K739-E824 WeakPolarHBondContact CE-OE1 3.4Å; K739-E824 IonicContact NZ-OE1 2.77Å; K739-E824 PolarHBondContact NZ-OE1 3.37Å; K739-L826 HydrophobicContact CB-CD1 3.91Å; K739-L826 HydrophobicContact CB-CD2 4.31Å; K739-L826 HydrophobicContact CD-CD1 4.05Å; K739-L826 HydrophobicContact CG-CD1 3.93Å; K739-L826 HydrophobicContact CG-CD2 4.32Å
740	N	96.1	Very high	94.9	Very high	87 Å²	87	32.3 Å²	32.3	47%	0.465	17%	0.171	S	C	.	.	H	α-helix	trans	-64.8	-39.4	178.5	-71.8	-23.1	0	0	0	112.3	P736 A737 L743 N744	P736-N740 WeakPolarHBondContact O-CB 3.49Å; P736-N740 VanDerWaalsContact O-CG 3.27Å; P736-N740 PolarHBondContact O-N 3.14Å; P736-N740 PolarHBondContact O-ND2 3.18Å; A737-N740 PolarHBondContact O-N 2.88Å; N740-L743 PolarHBondContact O-N 3.11Å; N740-N744 VanDerWaalsContact O-CB 3.31Å; N740-N744 WeakPolarHBondContact O-CB 3.48Å; N740-N744 VanDerWaalsContact O-CG 3.22Å; N740-N744 PolarHBondContact O-N 3.18Å; N740-N744 PolarHBondContact O-ND2 3.35Å
741	A	96.9	Very high	94.2	Very high	2 Å²	2	39.7 Å²	39.7	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-46.2	176.4	0	0	0	0	0	112.5	F384 A737 M738 V745 F767 I776	F384-A741 HydrophobicContact CB-CB 4.3Å; F384-A741 HydrophobicContact CD2-CB 3.5Å; F384-A741 VanDerWaalsContact CD2-CB 3.5Å; F384-A741 HydrophobicContact CE2-CB 4.03Å; F384-A741 HydrophobicContact CG-CB 4.06Å; A737-A741 WeakPolarHBondContact O-CB 3.49Å; A737-A741 PolarHBondContact O-N 3.27Å; M738-A741 PolarHBondContact O-N 3.4Å; A741-V745 WeakPolarHBondContact O-CG2 3.33Å; A741-V745 PolarHBondContact O-N 3.33Å; A741-F767 HydrophobicContact CB-CE1 3.9Å; A741-F767 HydrophobicContact CB-CZ 4.26Å; A741-I776 HydrophobicContact CB-CD1 3.9Å
742	V	97.2	Very high	93.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-49.1	174.5	176.9	0	0	0	0	110.7	F652 W664 M738 K739 N744 V745 L746 A765 F767	F652-V742 HydrophobicContact CD1-CG1 3.92Å; F652-V742 HydrophobicContact CD1-CG2 4.35Å; F652-V742 HydrophobicContact CD2-CG1 3.9Å; F652-V742 HydrophobicContact CE1-CG1 3.85Å; F652-V742 HydrophobicContact CE1-CG2 4.35Å; F652-V742 HydrophobicContact CE2-CG1 3.84Å; F652-V742 HydrophobicContact CG-CG1 3.94Å; F652-V742 HydrophobicContact CZ-CG1 3.8Å; W664-V742 HydrophobicContact CZ3-CB 4.4Å; W664-V742 HydrophobicContact CZ3-CG2 4.01Å; M738-V742 PolarHBondContact O-N 3.35Å; M738-V742 VanDerWaalsContact O-N 3.1Å; K739-V742 PolarHBondContact O-N 3.19Å; V742-N744 VanDerWaalsContact C-N 3.31Å; V742-N744 PolarHBondContact O-N 2.97Å; V742-V745 PolarHBondContact O-N 3.3Å; V742-L746 HydrophobicContact CG1-CD1 3.84Å; V742-L746 HydrophobicContact CG1-CG 4.2Å; V742-L746 WeakPolarHBondContact O-CG 3.49Å; V742-L746 PolarHBondContact O-N 3.04Å; V742-A765 HydrophobicContact CG2-CB 4.03Å; V742-F767 HydrophobicContact CG2-CE2 4.29Å; V742-F767 HydrophobicContact CG2-CZ 3.93Å
743	L	95.5	Very high	93.2	Very high	24 Å²	24	32.3 Å²	32.3	13%	0.126	17%	0.171	C	C	.	.	H	α-helix	trans	-57.8	-43.6	-178.4	178.3	56.5	0	0	0	112.2	K739 N740 V745 L746 L747 Y827	K739-L743 WeakPolarHBondContact O-CB 3.41Å; K739-L743 PolarHBondContact O-N 3.03Å; N740-L743 PolarHBondContact O-N 3.11Å; L743-V745 PolarHBondContact O-N 3.38Å; L743-L746 PolarHBondContact O-N 3.24Å; L743-L747 HydrophobicContact CD1-CD1 4.11Å; L743-L747 HydrophobicContact CD1-CG 4.03Å; L743-L747 HydrophobicContact CG-CD1 3.97Å; L743-L747 HydrophobicContact CG-CG 4.37Å; L743-L747 WeakPolarHBondContact O-CB 3.49Å; L743-L747 WeakPolarHBondContact O-CG 3.32Å; L743-L747 PolarHBondContact O-N 3.33Å; L743-Y827 HydrophobicContact CD1-CD1 3.6Å; L743-Y827 HydrophobicContact CD1-CD2 3.86Å; L743-Y827 HydrophobicContact CD1-CE1 4.13Å; L743-Y827 HydrophobicContact CD1-CE2 4.37Å; L743-Y827 HydrophobicContact CD1-CG 3.43Å; L743-Y827 VanDerWaalsContact CD1-CG 3.43Å; L743-Y827 HydrophobicContact CD2-CD2 3.88Å; L743-Y827 HydrophobicContact CD2-CE2 4.43Å; L743-Y827 HydrophobicContact CD2-CG 4.21Å; L743-Y827 HydrophobicContact CG-CG 4.49Å
744	N	94.4	Very high	92.7	Very high	30 Å²	30	34 Å²	34	16%	0.16	18%	0.181	C	C	.	.	H	α-helix	trans	-61	-43.1	177.5	-78.2	-19.3	0	0	0	112.8	I373 F384 N740 V742 S748	I373-N744 HydrophobicContact CD1-CB 3.78Å; F384-N744 HydrophobicContact CE1-CB 4.4Å; F384-N744 HydrophobicContact CZ-CB 3.9Å; N740-N744 VanDerWaalsContact O-CB 3.31Å; N740-N744 WeakPolarHBondContact O-CB 3.48Å; N740-N744 VanDerWaalsContact O-CG 3.22Å; N740-N744 PolarHBondContact O-N 3.18Å; N740-N744 PolarHBondContact O-ND2 3.35Å; V742-N744 VanDerWaalsContact C-N 3.31Å; V742-N744 PolarHBondContact O-N 2.97Å; N744-S748 PolarHBondContact O-N 2.92Å; N744-S748 VanDerWaalsContact O-N 3.11Å; N744-S748 PolarHBondContact O-OG 3.22Å
745	V	95	Very high	92.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-49.3	173.4	172.7	0	0	0	0	110.5	F360 L366 L370 A741 V742 L743 L747 S748 S749 L778 I781	F360-V745 HydrophobicContact CB-CG1 3.74Å; F360-V745 HydrophobicContact CG-CG1 4.31Å; L366-V745 HydrophobicContact CD1-CB 4.43Å; L366-V745 HydrophobicContact CD1-CG1 3.63Å; L366-V745 HydrophobicContact CD1-CG2 3.82Å; L370-V745 HydrophobicContact CD1-CG2 4.32Å; L370-V745 HydrophobicContact CD2-CG2 3.76Å; L370-V745 HydrophobicContact CG-CG2 4.23Å; A741-V745 WeakPolarHBondContact O-CG2 3.33Å; A741-V745 PolarHBondContact O-N 3.33Å; V742-V745 PolarHBondContact O-N 3.3Å; L743-V745 PolarHBondContact O-N 3.38Å; V745-L747 PolarHBondContact O-N 2.88Å; V745-S748 CarbonylContact O-C 3.54Å; V745-S748 PolarHBondContact O-N 3.35Å; V745-S748 PolarHBondContact O-OG 3.1Å; V745-S749 WeakPolarHBondContact O-CB 3.45Å; V745-S749 PolarHBondContact O-N 3.22Å; V745-S749 PolarHBondContact O-OG 2.87Å; V745-L778 HydrophobicContact CG2-CD2 3.71Å; V745-I781 HydrophobicContact CB-CD1 4.32Å; V745-I781 HydrophobicContact CG1-CD1 3.89Å; V745-I781 HydrophobicContact CG2-CD1 4.48Å
746	L	94.4	Very high	91.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.9	-36.3	-176.4	-60.6	-179.5	0	0	0	112.8	F360 F652 I654 W657 L660 V662 V742 L743 S749 Q750	F360-L746 HydrophobicContact CD1-CD2 4.36Å; F360-L746 HydrophobicContact CD2-CD2 4.4Å; F360-L746 HydrophobicContact CE1-CD2 4.01Å; F360-L746 HydrophobicContact CE2-CD2 4.04Å; F360-L746 HydrophobicContact CZ-CD2 3.83Å; F652-L746 HydrophobicContact CD2-CD1 4.19Å; F652-L746 HydrophobicContact CE2-CD1 3.81Å; F652-L746 HydrophobicContact CE2-CD2 4.15Å; F652-L746 HydrophobicContact CE2-CG 4.44Å; I654-L746 HydrophobicContact CD1-CD1 3.84Å; I654-L746 HydrophobicContact CD1-CD2 3.56Å; I654-L746 HydrophobicContact CD1-CG 4.31Å; I654-L746 HydrophobicContact CG1-CD1 4.15Å; W657-L746 HydrophobicContact CH2-CD2 3.92Å; L660-L746 HydrophobicContact CD1-CB 4.35Å; L660-L746 HydrophobicContact CD2-CB 4Å; V662-L746 HydrophobicContact CB-CD1 4.4Å; V662-L746 HydrophobicContact CG1-CD1 3.79Å; V662-L746 HydrophobicContact CG2-CD1 3.65Å; V742-L746 HydrophobicContact CG1-CD1 3.84Å; V742-L746 HydrophobicContact CG1-CG 4.2Å; V742-L746 WeakPolarHBondContact O-CG 3.49Å; V742-L746 PolarHBondContact O-N 3.04Å; L743-L746 PolarHBondContact O-N 3.24Å; L746-S749 PolarHBondContact O-N 2.93Å; L746-Q750 WeakPolarHBondContact O-CG 3.29Å
747	L	91.3	Very high	91.3	Very high	26 Å²	26	41.1 Å²	41.1	14%	0.136	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-44	171.9	-73.5	170.5	0	0	0	111.5	L660 L743 V745 S749 Y827	L660-L747 HydrophobicContact CD2-CD2 4.09Å; L660-L747 HydrophobicContact CD2-CG 4.47Å; L743-L747 HydrophobicContact CD1-CD1 4.11Å; L743-L747 HydrophobicContact CD1-CG 4.03Å; L743-L747 HydrophobicContact CG-CD1 3.97Å; L743-L747 HydrophobicContact CG-CG 4.37Å; L743-L747 WeakPolarHBondContact O-CB 3.49Å; L743-L747 WeakPolarHBondContact O-CG 3.32Å; L743-L747 PolarHBondContact O-N 3.33Å; V745-L747 PolarHBondContact O-N 2.88Å; L747-S749 PolarHBondContact O-N 3.47Å; L747-Y827 HydrophobicContact CD2-CE1 4.04Å
748	S	89.4	Confident	91.1	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.028	21%	0.211	C	C	.	.	H	α-helix	trans	-72.2	-11.3	176	71.7	0	0	0	0	114.9	N744 V745	N744-S748 PolarHBondContact O-N 2.92Å; N744-S748 VanDerWaalsContact O-N 3.11Å; N744-S748 PolarHBondContact O-OG 3.22Å; V745-S748 CarbonylContact O-C 3.54Å; V745-S748 PolarHBondContact O-N 3.35Å; V745-S748 PolarHBondContact O-OG 3.1Å
749	S	90.1	Very high	90.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-90	-14.6	-177.6	-61.9	0	0	0	0	114.2	F360 Q369 V745 L746 L747 E751 S752	F360-S749 WeakPolarHBondContact CD1-OG 3.41Å; Q369-S749 PolarHBondContact NE2-OG 3.12Å; V745-S749 WeakPolarHBondContact O-CB 3.45Å; V745-S749 PolarHBondContact O-N 3.22Å; V745-S749 PolarHBondContact O-OG 2.87Å; L746-S749 PolarHBondContact O-N 2.93Å; L747-S749 PolarHBondContact O-N 3.47Å; S749-E751 PolarHBondContact O-N 3.19Å; S749-S752 PolarHBondContact O-N 2.93Å; S749-S752 PolarHBondContact O-OG 3Å
750	Q	87	Confident	90.8	Very high	51 Å²	51	40.5 Å²	40.5	24%	0.238	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-62.7	-34.9	-163.2	-64.4	-163.2	69.3	0	0	115.1	W657 L660 L746 S752 Q829	W657-Q750 HydrophobicContact CE3-CG 4.21Å; W657-Q750 HydrophobicContact CZ3-CG 4.15Å; L660-Q750 HydrophobicContact CD2-CG 4.36Å; L746-Q750 WeakPolarHBondContact O-CG 3.29Å; Q750-S752 VanDerWaalsContact C-N 3.25Å; Q750-S752 PolarHBondContact O-N 3.13Å; Q750-Q829 VanDerWaalsContact OE1-OE1 3.07Å
751	E	82.6	Confident	90.8	Very high	159 Å²	159	36.5 Å²	36.5	74%	0.743	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-72.5	-19.5	177.9	-62.4	-160.8	143.7	0	0	113.3	F376 S749	F376-E751 HydrophobicContact CE1-CG 4.03Å; F376-E751 HydrophobicContact CZ-CG 4.17Å; S749-E751 PolarHBondContact O-N 3.19Å
752	S	82.5	Confident	90.8	Very high	59 Å²	59	37.1 Å²	37.1	41%	0.413	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-90.3	3.7	-175.6	64.6	0	0	0	0	114.7	P359 Q369 S749 Q750	P359-S752 WeakPolarHBondContact CG-OG 3.39Å; Q369-S752 PolarHBondContact NE2-OG 3.39Å; S749-S752 PolarHBondContact O-N 2.93Å; S749-S752 PolarHBondContact O-OG 3Å; Q750-S752 VanDerWaalsContact C-N 3.25Å; Q750-S752 PolarHBondContact O-N 3.13Å
753	I	85.3	Confident	90.9	Very high	12 Å²	12	37.6 Å²	37.6	6%	0.062	19%	0.19	C	C	.	.	S	Bend	trans	-131.2	132	-168.7	-64.9	172.3	0	0	0	110.7	F360 W657 P755	F360-I753 HydrophobicContact CD1-CD1 4.04Å; F360-I753 HydrophobicContact CE1-CD1 3.67Å; W657-I753 HydrophobicContact CD2-CD1 4.29Å; W657-I753 HydrophobicContact CD2-CG2 4.05Å; W657-I753 HydrophobicContact CE3-CD1 4.28Å; W657-I753 HydrophobicContact CG-CG2 4.08Å; W657-I753 HydrophobicContact CH2-CD1 3.38Å; W657-I753 HydrophobicContact CZ2-CD1 3.36Å; W657-I753 HydrophobicContact CZ3-CD1 3.86Å; I753-P755 VanDerWaalsContact O-CD 3.3Å; I753-P755 WeakPolarHBondContact O-CD 3.24Å
754	E	84.3	Confident	90.9	Very high	124 Å²	124	36.4 Å²	36.4	58%	0.579	18%	0.184	S	C	*	.			trans	-78.4	114.4	174.3	-172.7	-177.4	-161.1	0	0	110.3	R756	E754-R756 PolarHBondContact O-N 3.3Å
755	P	85.1	Confident	91.1	Very high	72 Å²	72	35 Å²	35	47%	0.468	18%	0.176	S	C	.	.			trans	-77.9	93.4	-172	30.7	-35.4	0	0	0	112	W657 A658 I753	W657-P755 HydrophobicContact CB-CB 3.92Å; A658-P755 HydrophobicContact CB-CB 3.87Å; A658-P755 HydrophobicContact CB-CG 4.43Å; I753-P755 VanDerWaalsContact O-CD 3.3Å; I753-P755 WeakPolarHBondContact O-CD 3.24Å
756	R	87.8	Confident	91.2	Very high	60 Å²	60	35 Å²	35	23%	0.226	18%	0.176	C	C	.	.			trans	-94.9	124.3	176	-176.4	166.3	179.1	130.5	6.5	112.6	F343 L346 Q347 E754 C759	F343-R756 PolarHBondContact O-NH1 2.86Å; L346-R756 VanDerWaalsContact C-NH2 3.34Å; L346-R756 VanDerWaalsContact CB-NH2 3.26Å; L346-R756 PolarHBondContact O-NH2 2.77Å; Q347-R756 PolarHBondContact O-NH2 3.47Å; E754-R756 PolarHBondContact O-N 3.3Å; R756-C759 HydrophobicContact CB-CB 4.34Å; R756-C759 VanDerWaalsContact CD-SG 3.58Å; R756-C759 WeakPolarHBondContact O-CB 3.44Å; R756-C759 PolarHBondContact O-N 2.82Å
757	K	89.9	Confident	91.4	Very high	91 Å²	91	35 Å²	35	40%	0.396	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	147.1	171.7	-61.5	-56.6	-176.4	-171.9	0	111.4	D656 A658 C759	D656-K757 IonicContact OD1-NZ 2.66Å; D656-K757 PolarHBondContact OD1-NZ 2.74Å; D656-K757 IonicContact OD2-NZ 2.69Å; D656-K757 PolarHBondContact OD2-NZ 3.26Å; A658-K757 PolarHBondContact O-NZ 3.44Å; K757-C759 PolarHBondContact O-N 3Å
758	N	92.7	Very high	91.6	Very high	45 Å²	45	34.3 Å²	34.3	24%	0.241	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	0.5	-174.8	-55.5	-56.6	0	0	0	115.4	K348 Q350 I351 I352 K813	K348-N758 PolarHBondContact O-ND2 3.18Å; Q350-N758 WeakPolarHBondContact O-CB 3.43Å; I351-N758 VanDerWaalsContact CA-O 3.31Å; I351-N758 WeakPolarHBondContact CA-O 3.42Å; I351-N758 HydrophobicContact CB-CB 4.48Å; I351-N758 HydrophobicContact CG1-CB 4.15Å; I351-N758 WeakPolarHBondContact CG2-O 3.36Å; I352-N758 PolarHBondContact N-O 2.97Å; N758-K813 PolarHBondContact OD1-NZ 2.76Å
759	C	94.2	Very high	92	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-78.8	134.1	156.1	-70.3	0	0	0	0	109.4	I352 H354 H355 R756 K757	I352-C759 HydrophobicContact CG2-CB 4.28Å; I352-C759 WeakPolarHBondContact CG2-SG 3.46Å; H354-C759 VanDerWaalsContact O-CB 3.29Å; H354-C759 WeakPolarHBondContact O-CB 3.41Å; H354-C759 PolarHBondContact O-SG 3.21Å; H354-C759 VanDerWaalsContact O-SG 3.35Å; H355-C759 PolarHBondContact CE1-O 3.26Å; R756-C759 HydrophobicContact CB-CB 4.34Å; R756-C759 VanDerWaalsContact CD-SG 3.58Å; R756-C759 WeakPolarHBondContact O-CB 3.44Å; R756-C759 PolarHBondContact O-N 2.82Å; K757-C759 PolarHBondContact O-N 3Å
760	F	96.2	Very high	92.2	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.018	17%	0.172	C	C	.	.			trans	-127.4	169.7	164	68	-89.7	0	0	0	109.2	F332 W334 I351 I352 N353 H354 H355 L653 I654 T805 V809	F332-F760 AromaticContact CE2-CE1 3.87Å; F332-F760 HydrophobicContact CE2-CE1 3.87Å; F332-F760 HydrophobicContact CE2-CZ 4.18Å; F332-F760 HydrophobicContact CZ-CE1 4.15Å; F332-F760 AromaticContact CZ-CZ 3.99Å; F332-F760 HydrophobicContact CZ-CZ 3.99Å; W334-F760 HydrophobicContact CE3-CZ 4.01Å; W334-F760 HydrophobicContact CH2-CE2 4.35Å; W334-F760 AromaticContact CZ3-CE2 3.89Å; W334-F760 HydrophobicContact CZ3-CE2 3.89Å; W334-F760 AromaticContact CZ3-CZ 3.71Å; W334-F760 HydrophobicContact CZ3-CZ 3.71Å; I351-F760 HydrophobicContact CG2-CD1 3.98Å; I351-F760 HydrophobicContact CG2-CE1 3.87Å; I352-F760 WeakPolarHBondContact O-CD1 3.49Å; I352-F760 WeakPolarHBondContact O-CE1 3.24Å; I352-F760 PolarHBondContact O-N 2.8Å; N353-F760 CarbonylContact C-O 3.55Å; N353-F760 VanDerWaalsContact CA-CZ 3.47Å; N353-F760 HydrophobicContact CB-CD2 4.32Å; N353-F760 HydrophobicContact CB-CE1 4.1Å; N353-F760 HydrophobicContact CB-CE2 3.54Å; N353-F760 HydrophobicContact CB-CZ 3.41Å; N353-F760 VanDerWaalsContact CB-CZ 3.41Å; H354-F760 CarbonylContact C-O 3.57Å; H354-F760 VanDerWaalsContact C-O 3.23Å; H354-F760 VanDerWaalsContact CA-O 3.25Å; H354-F760 WeakPolarHBondContact CA-O 3.26Å; H354-F760 PolarHBondContact N-O 3Å; H355-F760 WeakPolarHBondContact NE2-CA 3.44Å; L653-F760 HydrophobicContact CD1-CB 4.26Å; L653-F760 HydrophobicContact CD1-CD2 3.66Å; L653-F760 HydrophobicContact CD1-CE2 4.49Å; L653-F760 HydrophobicContact CD1-CG 4.38Å; I654-F760 CarbonylContact O-C 3.58Å; I654-F760 WeakPolarHBondContact O-CA 3.28Å; I654-F760 WeakPolarHBondContact O-CB 3.21Å; F760-T805 HydrophobicContact CD2-CG2 4.26Å; F760-T805 HydrophobicContact CE2-CG2 3.65Å; F760-T805 HydrophobicContact CZ-CG2 4.37Å; F760-V809 HydrophobicContact CB-CG1 4.1Å; F760-V809 HydrophobicContact CD1-CB 4.14Å; F760-V809 HydrophobicContact CD1-CG1 3.89Å; F760-V809 HydrophobicContact CD1-CG2 4.2Å; F760-V809 HydrophobicContact CD2-CG1 3.95Å; F760-V809 HydrophobicContact CE1-CB 4.23Å; F760-V809 HydrophobicContact CE1-CG1 4.25Å; F760-V809 HydrophobicContact CE1-CG2 3.77Å; F760-V809 HydrophobicContact CE2-CG1 4.28Å; F760-V809 HydrophobicContact CE2-CG2 4.43Å; F760-V809 HydrophobicContact CG-CB 4.48Å; F760-V809 HydrophobicContact CG-CG1 3.72Å; F760-V809 HydrophobicContact CZ-CG1 4.42Å; F760-V809 HydrophobicContact CZ-CG2 3.88Å
761	G	95.3	Very high	92.1	Very high	3 Å²	3	34.3 Å²	34.3	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	128.5	176.4	0	0	0	0	0	110.6	H355 L653 I654 Y763	H355-G761 PolarHBondContact NE2-N 2.83Å; H355-G761 VanDerWaalsContact NE2-N 3.19Å; L653-G761 WeakPolarHBondContact CA-O 3.34Å; I654-G761 PolarHBondContact N-O 2.86Å; I654-G761 PolarHBondContact O-N 3.47Å; G761-Y763 VanDerWaalsContact O-CD2 3.27Å; G761-Y763 WeakPolarHBondContact O-CD2 3.44Å; G761-Y763 VanDerWaalsContact O-CE2 3.28Å; G761-Y763 WeakPolarHBondContact O-CE2 3.45Å
762	L	97.6	Very high	92.1	Very high	15 Å²	15	29.5 Å²	29.5	8%	0.079	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.7	173.8	-180	58.6	0	0	0	107.9	W651 L653 P785 M787 V801 F823	W651-L762 HydrophobicContact CB-CD1 4.36Å; L653-L762 HydrophobicContact CB-CD1 4.21Å; L653-L762 HydrophobicContact CD1-CB 4.48Å; L762-P785 WeakPolarHBondContact O-CD 3.16Å; L762-M787 HydrophobicContact CD2-CE 3.31Å; L762-M787 HydrophobicContact CG-CE 4.05Å; L762-V801 HydrophobicContact CD1-CG2 4.25Å; L762-V801 HydrophobicContact CD2-CG2 4.34Å; L762-F823 HydrophobicContact CD1-CZ 4.06Å
763	Y	97.4	Very high	92.3	Very high	9 Å²	9	28.3 Å²	28.3	4%	0.035	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	156.1	-172.1	-60.3	-86.7	0	0	0	110.6	H355 A358 F360 T361 W651 F652 I654 G761 I781	H355-Y763 PolarHBondContact CD2-OH 2.97Å; H355-Y763 VanDerWaalsContact CD2-OH 3.3Å; A358-Y763 HydrophobicContact CB-CE1 4.16Å; F360-Y763 AromaticContact CE2-CD1 3.8Å; F360-Y763 HydrophobicContact CE2-CD1 3.8Å; F360-Y763 AromaticContact CE2-CE1 3.63Å; F360-Y763 HydrophobicContact CE2-CE1 3.63Å; F360-Y763 HydrophobicContact CE2-CE2 4.5Å; F360-Y763 HydrophobicContact CE2-CG 4.3Å; F360-Y763 AromaticContact CE2-CZ 4Å; F360-Y763 HydrophobicContact CZ-CD1 4.25Å; F360-Y763 AromaticContact CZ-CE1 3.65Å; F360-Y763 HydrophobicContact CZ-CE1 3.65Å; F360-Y763 HydrophobicContact CZ-CE2 4.13Å; F360-Y763 AromaticContact CZ-CZ 3.57Å; T361-Y763 HydrophobicContact CG2-CD1 3.78Å; T361-Y763 HydrophobicContact CG2-CE1 3.75Å; W651-Y763 WeakPolarHBondContact CA-O 3.37Å; F652-Y763 HydrophobicContact CD2-CD2 4.26Å; F652-Y763 AromaticContact CE2-CD2 3.73Å; F652-Y763 HydrophobicContact CE2-CD2 3.73Å; F652-Y763 AromaticContact CE2-CG 3.99Å; F652-Y763 HydrophobicContact CE2-CG 3.99Å; F652-Y763 VanDerWaalsContact CZ-CB 3.42Å; F652-Y763 HydrophobicContact CZ-CD2 4.15Å; F652-Y763 AromaticContact CZ-CG 3.92Å; F652-Y763 HydrophobicContact CZ-CG 3.92Å; F652-Y763 PolarHBondContact N-O 3.46Å; F652-Y763 VanDerWaalsContact N-O 3.09Å; F652-Y763 PolarHBondContact O-N 2.97Å; I654-Y763 HydrophobicContact CB-CE2 4.13Å; I654-Y763 HydrophobicContact CD1-CD2 4.08Å; I654-Y763 HydrophobicContact CD1-CE2 3.56Å; I654-Y763 HydrophobicContact CG1-CD2 4.05Å; I654-Y763 HydrophobicContact CG1-CE2 3.76Å; G761-Y763 VanDerWaalsContact O-CD2 3.27Å; G761-Y763 WeakPolarHBondContact O-CD2 3.44Å; G761-Y763 VanDerWaalsContact O-CE2 3.28Å; G761-Y763 WeakPolarHBondContact O-CE2 3.45Å; Y763-I781 HydrophobicContact CD1-CG2 4.39Å
764	G	96.9	Very high	92.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	113.8	172	0	0	0	0	0	110.6	Q650 I781 N782	Q650-G764 CarbonylContact O-C 3.55Å; Q650-G764 WeakPolarHBondContact O-CA 3.45Å; G764-I781 CarbonylContact O-C 3.56Å; G764-I781 WeakPolarHBondContact O-CA 3.45Å; G764-N782 PolarHBondContact N-O 2.66Å; G764-N782 PolarHBondContact O-N 3.38Å
765	A	97.5	Very high	93.2	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	139.3	169.3	0	0	0	0	0	110.1	Q650 F652 V742 F767 L778 I781	Q650-A765 PolarHBondContact N-O 3.04Å; Q650-A765 PolarHBondContact O-N 3.01Å; F652-A765 HydrophobicContact CD1-CB 4.34Å; F652-A765 HydrophobicContact CE1-CB 3.98Å; V742-A765 HydrophobicContact CG2-CB 4.03Å; A765-F767 HydrophobicContact CB-CD2 4.19Å; A765-F767 HydrophobicContact CB-CE2 3.53Å; A765-F767 HydrophobicContact CB-CZ 4.19Å; A765-L778 HydrophobicContact CB-CD1 4.06Å; A765-I781 HydrophobicContact CB-CG1 4.26Å
766	D	97.5	Very high	93.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.5	-175.2	-64.9	38.7	0	0	0	108.9	I648 R649 R671 I779 E780 N782	I648-D766 WeakPolarHBondContact O-CA 3.49Å; R649-D766 IonicContact CZ-OD1 3.52Å; R649-D766 VanDerWaalsContact CZ-OD1 3.25Å; R649-D766 IonicContact CZ-OD2 2.69Å; R649-D766 IonicContact NE-OD1 3.49Å; R649-D766 PolarHBondContact NE-OD1 2.69Å; R649-D766 IonicContact NE-OD2 3.29Å; R649-D766 VanDerWaalsContact NH2-CG 3.29Å; R649-D766 IonicContact NH2-OD1 2.66Å; R649-D766 PolarHBondContact NH2-OD1 2.7Å; R649-D766 IonicContact NH2-OD2 3.85Å; R649-D766 PolarHBondContact NH2-OD2 2.87Å; R671-D766 IonicContact CZ-OD2 3.04Å; R671-D766 IonicContact NH1-OD2 3.45Å; R671-D766 PolarHBondContact NH1-OD2 2.67Å; R671-D766 IonicContact NH2-OD2 2.7Å; R671-D766 PolarHBondContact NH2-OD2 2.95Å; D766-I779 WeakPolarHBondContact O-CB 3.21Å; D766-I779 PolarHBondContact O-N 3.31Å; D766-E780 HydrophobicContact CB-CG 3.74Å; D766-E780 PolarHBondContact N-O 3.14Å; D766-N782 VanDerWaalsContact CG-ND2 3.35Å; D766-N782 PolarHBondContact OD1-ND2 3.04Å; D766-N782 PolarHBondContact OD2-ND2 2.79Å
767	F	98.2	Very high	94.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.1	-169.7	-71.5	-85.9	0	0	0	113.7	D647 I648 Q650 M738 A741 V742 A765 I776 W777 L778	D647-F767 CarbonylContact C-O 3.58Å; D647-F767 WeakPolarHBondContact CA-O 3.44Å; D647-F767 VanDerWaalsContact CB-O 3.31Å; D647-F767 WeakPolarHBondContact CB-O 3.39Å; I648-F767 HydrophobicContact CB-CB 4.43Å; I648-F767 PolarHBondContact N-O 3.19Å; I648-F767 PolarHBondContact O-N 3.4Å; Q650-F767 HydrophobicContact CB-CD2 4.34Å; Q650-F767 HydrophobicContact CB-CE2 4.29Å; M738-F767 HydrophobicContact CB-CD2 4.43Å; M738-F767 HydrophobicContact CB-CE1 4.13Å; M738-F767 HydrophobicContact CB-CE2 3.98Å; M738-F767 HydrophobicContact CB-CZ 3.82Å; M738-F767 HydrophobicContact CE-CD2 3.67Å; M738-F767 HydrophobicContact CE-CE2 4.02Å; M738-F767 HydrophobicContact CE-CG 4.25Å; M738-F767 HydrophobicContact CG-CD1 4.04Å; M738-F767 HydrophobicContact CG-CD2 4.14Å; M738-F767 HydrophobicContact CG-CE1 4.12Å; M738-F767 HydrophobicContact CG-CE2 4.19Å; M738-F767 HydrophobicContact CG-CG 4.05Å; M738-F767 HydrophobicContact CG-CZ 4.18Å; A741-F767 HydrophobicContact CB-CE1 3.9Å; A741-F767 HydrophobicContact CB-CZ 4.26Å; V742-F767 HydrophobicContact CG2-CE2 4.29Å; V742-F767 HydrophobicContact CG2-CZ 3.93Å; A765-F767 HydrophobicContact CB-CD2 4.19Å; A765-F767 HydrophobicContact CB-CE2 3.53Å; A765-F767 HydrophobicContact CB-CZ 4.19Å; F767-I776 HydrophobicContact CD1-CB 4.49Å; F767-I776 HydrophobicContact CD1-CD1 3.99Å; F767-I776 HydrophobicContact CE1-CD1 3.82Å; F767-W777 CarbonylContact C-O 3.49Å; F767-W777 WeakPolarHBondContact CA-O 3.48Å; F767-L778 HydrophobicContact CD1-CB 4.15Å; F767-L778 HydrophobicContact CD1-CD1 4.32Å; F767-L778 HydrophobicContact CE1-CB 3.8Å; F767-L778 HydrophobicContact CE1-CD1 3.85Å; F767-L778 HydrophobicContact CE1-CG 4.41Å; F767-L778 HydrophobicContact CE2-CD1 4.29Å; F767-L778 HydrophobicContact CZ-CD1 3.84Å
768	L	97.2	Very high	94.6	Very high	11 Å²	11	16.8 Å²	16.8	6%	0.058	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	162	166.8	-89.1	163.3	0	0	0	111.3	I635 P638 F646 D647 I776 W777 I779	I635-L768 HydrophobicContact CD1-CB 3.82Å; I635-L768 HydrophobicContact CD1-CD1 3.91Å; I635-L768 HydrophobicContact CD1-CG 4.48Å; P638-L768 HydrophobicContact CB-CD2 4.26Å; F646-L768 WeakPolarHBondContact O-CD2 3.39Å; D647-L768 HydrophobicContact CB-CD2 4.44Å; D647-L768 HydrophobicContact CB-CG 4.32Å; L768-I776 CarbonylContact O-C 3.58Å; L768-I776 WeakPolarHBondContact O-CA 3.31Å; L768-W777 HydrophobicContact CB-CB 4.4Å; L768-W777 PolarHBondContact N-O 3.08Å; L768-W777 PolarHBondContact O-N 2.93Å; L768-I779 HydrophobicContact CB-CD1 4.15Å; L768-I779 HydrophobicContact CB-CG1 4.2Å; L768-I779 HydrophobicContact CD1-CD1 3.87Å; L768-I779 HydrophobicContact CD1-CG1 3.96Å; L768-I779 HydrophobicContact CG-CD1 4.38Å; L768-I779 HydrophobicContact CG-CG1 4.18Å
769	L	96.9	Very high	94.7	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	159.3	169.9	-71.3	91.9	0	0	0	111	P638 L639 F646 I648 F717 I734 R775 I776	P638-L769 CarbonylContact C-O 3.55Å; P638-L769 VanDerWaalsContact CA-O 3.3Å; P638-L769 WeakPolarHBondContact CA-O 3.32Å; L639-L769 HydrophobicContact CB-CB 3.83Å; L639-L769 HydrophobicContact CD2-CB 3.97Å; L639-L769 HydrophobicContact CD2-CD2 4.17Å; L639-L769 PolarHBondContact N-O 2.87Å; F646-L769 HydrophobicContact CE2-CD1 4.25Å; F646-L769 HydrophobicContact CZ-CD1 4.28Å; I648-L769 HydrophobicContact CD1-CD1 3.68Å; I648-L769 HydrophobicContact CG1-CD1 4.34Å; F717-L769 HydrophobicContact CZ-CD2 4.42Å; I734-L769 HydrophobicContact CD1-CD2 3.73Å; I734-L769 HydrophobicContact CG1-CD2 3.91Å; I734-L769 HydrophobicContact CG2-CD2 4.09Å; L769-R775 VanDerWaalsContact CA-O 3.29Å; L769-R775 WeakPolarHBondContact CA-O 3.49Å; L769-I776 HydrophobicContact CD2-CG2 4.45Å; L769-I776 HydrophobicContact CG-CG2 4.28Å
770	T	95.1	Very high	94.6	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.018	8%	0.08	C	C	.	.	B	Isolated β-bridge	trans	-102.4	147.7	172.8	30.2	0	0	0	0	113.7	M585 I635 R637 D773 Y774 R775 W777	M585-T770 HydrophobicContact CB-CG2 3.72Å; I635-T770 HydrophobicContact CG2-CG2 4.28Å; R637-T770 WeakPolarHBondContact O-CA 3.37Å; T770-D773 PolarHBondContact OG1-OD1 3.41Å; T770-Y774 WeakPolarHBondContact O-CA 3.28Å; T770-Y774 PolarHBondContact O-N 2.82Å; T770-Y774 VanDerWaalsContact O-N 3.15Å; T770-R775 PolarHBondContact N-O 3.1Å; T770-R775 PolarHBondContact OG1-N 3.13Å; T770-R775 PolarHBondContact OG1-O 2.91Å; T770-W777 PolarHBondContact OG1-NE1 3.29Å
771	D	84.9	Confident	94.6	Very high	50 Å²	50	16.5 Å²	16.5	27%	0.267	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-41.5	-174.9	64.5	-17.3	0	0	0	115	R637	R637-D771 IonicContact CZ-OD2 3.89Å; R637-D771 IonicContact NE-OD1 3.21Å; R637-D771 IonicContact NE-OD2 2.7Å; R637-D771 PolarHBondContact NE-OD2 3.14Å; R637-D771 IonicContact NH2-OD2 3.06Å; R637-D771 PolarHBondContact NH2-OD2 3.16Å; R637-D771 PolarHBondContact O-N 3.45Å
772	N	82.5	Confident	94.4	Very high	59 Å²	59	17 Å²	17	32%	0.316	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-30.7	-168.3	-82.6	-83	0	0	0	114.8	R637 Y1180	R637-N772 PolarHBondContact NH2-ND2 2.86Å; N772-Y1180 PolarHBondContact OD1-OH 3.18Å
773	D	86.4	Confident	94	Very high	34 Å²	34	16.6 Å²	16.6	18%	0.182	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	0.2	-172.4	78.6	-22.2	0	0	0	114.5	K733 T770 R775	K733-D773 PolarHBondContact NZ-O 2.97Å; T770-D773 PolarHBondContact OG1-OD1 3.41Å; D773-R775 PolarHBondContact O-N 3.16Å; D773-R775 VanDerWaalsContact O-N 3.13Å; D773-R775 VanDerWaalsContact OD1-CB 3.23Å; D773-R775 WeakPolarHBondContact OD1-CB 3.48Å; D773-R775 PolarHBondContact OD1-N 3.08Å; D773-R775 VanDerWaalsContact OD1-N 3.11Å; D773-R775 WeakPolarHBondContact OD2-CB 3.12Å; D773-R775 IonicContact OD2-CZ 3.54Å; D773-R775 VanDerWaalsContact OD2-CZ 3.29Å; D773-R775 IonicContact OD2-NE 2.81Å; D773-R775 PolarHBondContact OD2-NE 3.18Å; D773-R775 IonicContact OD2-NH2 3.47Å; D773-R775 PolarHBondContact OD2-NH2 3.3Å
774	Y	93.1	Very high	93.3	Very high	45 Å²	45	17.1 Å²	17.1	18%	0.176	9%	0.085	C	C	.	.			trans	51.5	29.8	-176.5	-60.8	-97.5	0	0	0	113.8	L639 L721 L729 T770	L639-Y774 HydrophobicContact CD1-CD1 4.33Å; L639-Y774 HydrophobicContact CD1-CE1 3.9Å; L639-Y774 HydrophobicContact CD2-CD1 3.69Å; L639-Y774 HydrophobicContact CD2-CE1 3.78Å; L721-Y774 HydrophobicContact CD2-CD1 4.41Å; L721-Y774 HydrophobicContact CD2-CE1 3.93Å; L729-Y774 HydrophobicContact CD2-CD1 3.53Å; L729-Y774 HydrophobicContact CD2-CD2 3.88Å; L729-Y774 HydrophobicContact CD2-CE1 3.88Å; L729-Y774 HydrophobicContact CD2-CE2 4.21Å; L729-Y774 HydrophobicContact CD2-CG 3.53Å; T770-Y774 WeakPolarHBondContact O-CA 3.28Å; T770-Y774 PolarHBondContact O-N 2.82Å; T770-Y774 VanDerWaalsContact O-N 3.15Å
775	R	94.1	Very high	92.9	Very high	64 Å²	64	17.4 Å²	17.4	24%	0.242	9%	0.087	C	C	.	.			trans	-72.5	139.9	175.3	-174	-175.4	-49.4	-162.9	5.9	110.3	Y383 P581 L769 T770 D773 W777	Y383-R775 WeakPolarHBondContact O-CD 3.48Å; P581-R775 PolarHBondContact O-NH1 3.31Å; L769-R775 VanDerWaalsContact CA-O 3.29Å; L769-R775 WeakPolarHBondContact CA-O 3.49Å; T770-R775 PolarHBondContact N-O 3.1Å; T770-R775 PolarHBondContact OG1-N 3.13Å; T770-R775 PolarHBondContact OG1-O 2.91Å; D773-R775 PolarHBondContact O-N 3.16Å; D773-R775 VanDerWaalsContact O-N 3.13Å; D773-R775 VanDerWaalsContact OD1-CB 3.23Å; D773-R775 WeakPolarHBondContact OD1-CB 3.48Å; D773-R775 PolarHBondContact OD1-N 3.08Å; D773-R775 VanDerWaalsContact OD1-N 3.11Å; D773-R775 WeakPolarHBondContact OD2-CB 3.12Å; D773-R775 IonicContact OD2-CZ 3.54Å; D773-R775 VanDerWaalsContact OD2-CZ 3.29Å; D773-R775 IonicContact OD2-NE 2.81Å; D773-R775 PolarHBondContact OD2-NE 3.18Å; D773-R775 IonicContact OD2-NH2 3.47Å; D773-R775 PolarHBondContact OD2-NH2 3.3Å; R775-W777 VanDerWaalsContact CD-CZ2 3.49Å; R775-W777 HydrophobicContact CG-CZ2 4.33Å
776	I	96.6	Very high	92.3	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.021	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	148.3	179.1	68.2	81.8	0	0	0	110.8	F384 I734 A737 M738 A741 F767 L768 L769	F384-I776 HydrophobicContact CB-CD1 4.15Å; I734-I776 HydrophobicContact CB-CG2 4.46Å; I734-I776 HydrophobicContact CG2-CG2 3.86Å; A737-I776 HydrophobicContact CB-CD1 4.31Å; A737-I776 HydrophobicContact CB-CG1 3.46Å; A737-I776 VanDerWaalsContact CB-CG1 3.46Å; A737-I776 HydrophobicContact CB-CG2 4.43Å; M738-I776 HydrophobicContact CG-CB 4.2Å; M738-I776 HydrophobicContact CG-CG1 4.24Å; M738-I776 HydrophobicContact CG-CG2 4.01Å; A741-I776 HydrophobicContact CB-CD1 3.9Å; F767-I776 HydrophobicContact CD1-CB 4.49Å; F767-I776 HydrophobicContact CD1-CD1 3.99Å; F767-I776 HydrophobicContact CE1-CD1 3.82Å; L768-I776 CarbonylContact O-C 3.58Å; L768-I776 WeakPolarHBondContact O-CA 3.31Å; L769-I776 HydrophobicContact CD2-CG2 4.45Å; L769-I776 HydrophobicContact CG-CG2 4.28Å
777	W	97.6	Very high	91.9	Very high	3 Å²	3	20.2 Å²	20.2	1%	0.011	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	112.5	179.8	-63.9	99.1	0	0	0	109.5	D382 F384 P386 Q582 M585 I635 F767 L768 T770 R775 I779	D382-W777 WeakPolarHBondContact O-CH2 3.13Å; D382-W777 VanDerWaalsContact O-CZ3 3.24Å; D382-W777 WeakPolarHBondContact O-CZ3 3.39Å; F384-W777 CarbonylContact O-C 3.45Å; F384-W777 WeakPolarHBondContact O-CA 3.35Å; P386-W777 HydrophobicContact CG-CB 4.23Å; P386-W777 HydrophobicContact CG-CD2 4.45Å; P386-W777 HydrophobicContact CG-CE3 4.01Å; Q582-W777 HydrophobicContact CB-CH2 4.41Å; Q582-W777 HydrophobicContact CG-CH2 3.47Å; Q582-W777 VanDerWaalsContact CG-CH2 3.47Å; Q582-W777 HydrophobicContact CG-CZ2 4.42Å; Q582-W777 HydrophobicContact CG-CZ3 3.73Å; M585-W777 HydrophobicContact CB-CZ2 4.36Å; M585-W777 HydrophobicContact CG-CH2 4.25Å; M585-W777 HydrophobicContact CG-CZ2 3.8Å; M585-W777 HydrophobicContact SD-CD2 3.87Å; M585-W777 HydrophobicContact SD-CE3 3.97Å; M585-W777 HydrophobicContact SD-CH2 3.73Å; M585-W777 HydrophobicContact SD-CZ2 3.58Å; M585-W777 VanDerWaalsContact SD-CZ2 3.58Å; M585-W777 HydrophobicContact SD-CZ3 3.91Å; I635-W777 HydrophobicContact CD1-CB 3.57Å; I635-W777 HydrophobicContact CD1-CG 3.73Å; F767-W777 CarbonylContact C-O 3.49Å; F767-W777 WeakPolarHBondContact CA-O 3.48Å; L768-W777 HydrophobicContact CB-CB 4.4Å; L768-W777 PolarHBondContact N-O 3.08Å; L768-W777 PolarHBondContact O-N 2.93Å; T770-W777 PolarHBondContact OG1-NE1 3.29Å; R775-W777 VanDerWaalsContact CD-CZ2 3.49Å; R775-W777 HydrophobicContact CG-CZ2 4.33Å; W777-I779 HydrophobicContact CB-CD1 4.24Å
778	L	97.9	Very high	91.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126.7	172.2	179.2	66.1	0	0	0	109.3	F384 F385 P386 V745 A765 F767 I781	F384-L778 PolarHBondContact O-N 3.47Å; F385-L778 HydrophobicContact CD2-CB 4.38Å; F385-L778 HydrophobicContact CD2-CG 4.46Å; F385-L778 VanDerWaalsContact CD2-O 3.22Å; F385-L778 WeakPolarHBondContact CD2-O 3.43Å; P386-L778 VanDerWaalsContact CD-O 3.32Å; P386-L778 WeakPolarHBondContact CD-O 3.5Å; V745-L778 HydrophobicContact CG2-CD2 3.71Å; A765-L778 HydrophobicContact CB-CD1 4.06Å; F767-L778 HydrophobicContact CD1-CB 4.15Å; F767-L778 HydrophobicContact CD1-CD1 4.32Å; F767-L778 HydrophobicContact CE1-CB 3.8Å; F767-L778 HydrophobicContact CE1-CD1 3.85Å; F767-L778 HydrophobicContact CE1-CG 4.41Å; F767-L778 HydrophobicContact CE2-CD1 4.29Å; F767-L778 HydrophobicContact CZ-CD1 3.84Å; L778-I781 HydrophobicContact CD1-CG1 4.08Å; L778-I781 HydrophobicContact CD2-CD1 4.4Å; L778-I781 HydrophobicContact CD2-CG1 4.41Å
779	I	95	Very high	90.8	Very high	24 Å²	24	25.4 Å²	25.4	12%	0.123	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-39.6	-176.5	-52.9	-54.5	0	0	0	111.4	P386 I635 D766 L768 W777	P386-I779 HydrophobicContact CG-CD1 4.14Å; I635-I779 HydrophobicContact CD1-CD1 3.86Å; D766-I779 WeakPolarHBondContact O-CB 3.21Å; D766-I779 PolarHBondContact O-N 3.31Å; L768-I779 HydrophobicContact CB-CD1 4.15Å; L768-I779 HydrophobicContact CB-CG1 4.2Å; L768-I779 HydrophobicContact CD1-CD1 3.87Å; L768-I779 HydrophobicContact CD1-CG1 3.96Å; L768-I779 HydrophobicContact CG-CD1 4.38Å; L768-I779 HydrophobicContact CG-CG1 4.18Å; W777-I779 HydrophobicContact CB-CD1 4.24Å
780	E	93.7	Very high	90.3	Very high	19 Å²	19	27.5 Å²	27.5	9%	0.089	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	161.4	176.7	54.3	-172.7	-145.3	0	0	111.4	K363 D766 N782	K363-E780 VanDerWaalsContact CE-CB 3.44Å; K363-E780 WeakPolarHBondContact CE-OE2 3.18Å; K363-E780 IonicContact NZ-OE2 2.73Å; K363-E780 PolarHBondContact NZ-OE2 3.48Å; D766-E780 HydrophobicContact CB-CG 3.74Å; D766-E780 PolarHBondContact N-O 3.14Å; E780-N782 PolarHBondContact OE1-ND2 2.89Å; E780-N782 VanDerWaalsContact OE1-ND2 3.09Å; E780-N782 PolarHBondContact OE1-OD1 2.91Å
781	I	95.1	Very high	90.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.1	162.6	-58.6	-179.4	0	0	0	105.9	F360 T361 F652 V745 Y763 G764 A765 L778	F360-I781 HydrophobicContact CD2-CB 4.29Å; F360-I781 HydrophobicContact CD2-CD1 4.11Å; F360-I781 HydrophobicContact CD2-CG2 3.93Å; F360-I781 HydrophobicContact CE2-CG2 4.02Å; T361-I781 VanDerWaalsContact CA-O 3.23Å; T361-I781 WeakPolarHBondContact CA-O 3.43Å; T361-I781 HydrophobicContact CG2-CG2 4.35Å; F652-I781 HydrophobicContact CE1-CG2 3.91Å; F652-I781 HydrophobicContact CZ-CD1 4.23Å; F652-I781 HydrophobicContact CZ-CG2 3.76Å; V745-I781 HydrophobicContact CB-CD1 4.32Å; V745-I781 HydrophobicContact CG1-CD1 3.89Å; V745-I781 HydrophobicContact CG2-CD1 4.48Å; Y763-I781 HydrophobicContact CD1-CG2 4.39Å; G764-I781 CarbonylContact O-C 3.56Å; G764-I781 WeakPolarHBondContact O-CA 3.45Å; A765-I781 HydrophobicContact CB-CG1 4.26Å; L778-I781 HydrophobicContact CD1-CG1 4.08Å; L778-I781 HydrophobicContact CD2-CD1 4.4Å; L778-I781 HydrophobicContact CD2-CG1 4.41Å
782	N	91.3	Very high	90.6	Very high	15 Å²	15	29 Å²	29	8%	0.08	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	134.9	-178.1	-69.2	-78.5	0	0	0	109.9	R649 G764 D766 E780	R649-N782 PolarHBondContact NH2-ND2 2.82Å; R649-N782 VanDerWaalsContact NH2-ND2 3.14Å; G764-N782 PolarHBondContact N-O 2.66Å; G764-N782 PolarHBondContact O-N 3.38Å; D766-N782 VanDerWaalsContact CG-ND2 3.35Å; D766-N782 PolarHBondContact OD1-ND2 3.04Å; D766-N782 PolarHBondContact OD2-ND2 2.79Å; E780-N782 PolarHBondContact OE1-ND2 2.89Å; E780-N782 VanDerWaalsContact OE1-ND2 3.09Å; E780-N782 PolarHBondContact OE1-OD1 2.91Å
783	S	88.3	Confident	91.2	Very high	5 Å²	5	26.7 Å²	26.7	4%	0.035	16%	0.156	C	C	.	.	S	Bend	trans	-73.2	150.5	165.5	67.8	0	0	0	0	109	D293 P785	D293-S783 VanDerWaalsContact CB-O 3.32Å; D293-S783 WeakPolarHBondContact CB-O 3.29Å; D293-S783 PolarHBondContact OD2-N 2.77Å; D293-S783 PolarHBondContact OD2-OG 3.44Å; S783-P785 VanDerWaalsContact O-N 3.14Å
784	S	84.3	Confident	91.6	Very high	21 Å²	21	25.1 Å²	25.1	15%	0.147	15%	0.148	C	C	.	.	S	Bend	trans	45.6	52.1	170	-48.4	0	0	0	0	114.1	H354 C786	H354-S784 PolarHBondContact CE1-OG 2.95Å; H354-S784 VanDerWaalsContact CE1-OG 3.25Å; S784-C786 PolarHBondContact O-N 3.09Å
785	P	87.5	Confident	91.6	Very high	6 Å²	6	25 Å²	25	4%	0.039	16%	0.156	C	C	.	.			trans	-58	137.5	-168.4	26.3	-36.1	0	0	0	110.8	L762 S783 M787	L762-P785 WeakPolarHBondContact O-CD 3.16Å; S783-P785 VanDerWaalsContact O-N 3.14Å; P785-M787 HydrophobicContact CG-CE 4.19Å; P785-M787 WeakPolarHBondContact O-CG 3.36Å; P785-M787 PolarHBondContact O-N 3.09Å
786	C	84.6	Confident	91.7	Very high	41 Å²	41	26.3 Å²	26.3	28%	0.277	17%	0.171	S	C	.	.			trans	-51.6	128.6	-177.1	-177.5	0	0	0	0	112	S784	S784-C786 PolarHBondContact O-N 3.09Å
787	M	88.7	Confident	91.6	Very high	18 Å²	18	26.8 Å²	26.8	9%	0.089	17%	0.173	C	C	.	.			trans	-113.9	16.5	-178.6	-63.5	-58.8	-167.9	0	0	112.8	W651 L762 P785 T798 V801 L802	W651-M787 HydrophobicContact CZ2-SD 4.29Å; L762-M787 HydrophobicContact CD2-CE 3.31Å; L762-M787 HydrophobicContact CG-CE 4.05Å; P785-M787 HydrophobicContact CG-CE 4.19Å; P785-M787 WeakPolarHBondContact O-CG 3.36Å; P785-M787 PolarHBondContact O-N 3.09Å; M787-T798 HydrophobicContact CB-CG2 4.4Å; M787-T798 PolarHBondContact O-OG1 3.38Å; M787-T798 HydrophobicContact SD-CG2 3.98Å; M787-V801 HydrophobicContact CE-CG1 3.78Å; M787-V801 HydrophobicContact SD-CG1 4.01Å; M787-L802 HydrophobicContact CB-CD1 4.15Å; M787-L802 HydrophobicContact CE-CD2 4.34Å; M787-L802 HydrophobicContact CG-CD1 4.37Å; M787-L802 HydrophobicContact CG-CD2 4.15Å; M787-L802 HydrophobicContact CG-CG 4.36Å
788	S	84.3	Confident	91.5	Very high	34 Å²	34	27 Å²	27	24%	0.238	17%	0.174	C	C	.	.			trans	-64.8	136.7	175.9	-171.6	0	0	0	0	110.6	S790	S788-S790 PolarHBondContact O-N 3.32Å
789	P	89.1	Confident	91.3	Very high	87 Å²	87	28 Å²	28	57%	0.565	18%	0.183	S	C	*	.			trans	-77.3	55.4	175.3	35.2	-37.8	0	0	0	111.2	T791 A795	P789-T791 PolarHBondContact O-N 3.23Å; P789-A795 HydrophobicContact CB-CB 3.75Å
790	S	87.2	Confident	91.4	Very high	45 Å²	45	28.6 Å²	28.6	32%	0.315	19%	0.189	S	C	.	.			trans	-69.4	-13.5	-171.6	48.3	0	0	0	0	115.8	N691 S788 T794	N691-S790 PolarHBondContact ND2-OG 2.73Å; S788-S790 PolarHBondContact O-N 3.32Å; S790-T794 PolarHBondContact N-OG1 2.76Å; S790-T794 VanDerWaalsContact N-OG1 3.09Å; S790-T794 PolarHBondContact OG-OG1 2.69Å
791	T	91.8	Very high	91.6	Very high	8 Å²	8	27.7 Å²	27.7	5%	0.049	19%	0.185	C	C	.	.	S	Bend	trans	-150.4	162.2	-174.7	60.4	0	0	0	0	108.7	E709 M711 P789 V793 T794 A795	E709-T791 HydrophobicContact CB-CG2 3.98Å; E709-T791 HydrophobicContact CG-CG2 4.41Å; E709-T791 WeakPolarHBondContact O-CG2 3.44Å; E709-T791 WeakPolarHBondContact OE2-CA 3.22Å; E709-T791 WeakPolarHBondContact OE2-CB 3.25Å; M711-T791 HydrophobicContact CE-CG2 3.67Å; M711-T791 HydrophobicContact CG-CG2 4.15Å; M711-T791 HydrophobicContact SD-CG2 3.75Å; M711-T791 PolarHBondContact SD-OG1 3.25Å; P789-T791 PolarHBondContact O-N 3.23Å; T791-V793 VanDerWaalsContact C-N 3.26Å; T791-V793 PolarHBondContact O-N 2.95Å; T791-T794 PolarHBondContact N-OG1 3.14Å; T791-T794 PolarHBondContact O-N 3.04Å; T791-T794 VanDerWaalsContact O-N 3.17Å; T791-T794 PolarHBondContact O-OG1 2.8Å; T791-T794 WeakPolarHBondContact OG1-CB 3.25Å; T791-T794 PolarHBondContact OG1-N 3.34Å; T791-T794 VanDerWaalsContact OG1-N 3.08Å; T791-T794 PolarHBondContact OG1-OG1 3.4Å; T791-A795 WeakPolarHBondContact O-CB 3.19Å; T791-A795 PolarHBondContact O-N 2.74Å
792	S	94.2	Very high	91.7	Very high	76 Å²	76	28 Å²	28	53%	0.531	19%	0.186	S	C	.	.	H	α-helix	trans	-56	-42.4	176.3	79.7	0	0	0	0	111.8	E709 A795 V796	E709-S792 WeakPolarHBondContact OE1-CB 3.46Å; E709-S792 PolarHBondContact OE1-N 3.46Å; E709-S792 PolarHBondContact OE1-OG 2.7Å; E709-S792 PolarHBondContact OE2-N 3.27Å; S792-A795 PolarHBondContact O-N 3.4Å; S792-V796 PolarHBondContact O-N 2.84Å
793	V	95	Very high	91.9	Very high	10 Å²	10	29 Å²	29	6%	0.061	19%	0.19	C	C	.	.	H	α-helix	trans	-61	-49.3	175.5	177.8	0	0	0	0	111.5	Y669 M711 T713 T791 Y797	Y669-V793 HydrophobicContact CG-CG1 4.28Å; M711-V793 HydrophobicContact CB-CB 4.22Å; M711-V793 HydrophobicContact CB-CG2 4.2Å; T713-V793 HydrophobicContact CG2-CG1 4.18Å; T713-V793 HydrophobicContact CG2-CG2 4.01Å; T791-V793 VanDerWaalsContact C-N 3.26Å; T791-V793 PolarHBondContact O-N 2.95Å; V793-Y797 HydrophobicContact CG1-CD2 3.79Å; V793-Y797 HydrophobicContact CG1-CE2 4.01Å; V793-Y797 WeakPolarHBondContact O-CB 3.43Å; V793-Y797 PolarHBondContact O-N 3.09Å
794	T	94.3	Very high	92.4	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-71.7	-32.5	-179.2	49.6	0	0	0	0	112.6	Y669 M711 S790 T791 V796 T798	Y669-T794 HydrophobicContact CD2-CG2 4.42Å; Y669-T794 HydrophobicContact CE1-CG2 4.27Å; Y669-T794 HydrophobicContact CE2-CG2 3.85Å; M711-T794 HydrophobicContact CE-CG2 4.18Å; M711-T794 HydrophobicContact SD-CG2 3.63Å; S790-T794 PolarHBondContact N-OG1 2.76Å; S790-T794 VanDerWaalsContact N-OG1 3.09Å; S790-T794 PolarHBondContact OG-OG1 2.69Å; T791-T794 PolarHBondContact N-OG1 3.14Å; T791-T794 PolarHBondContact O-N 3.04Å; T791-T794 VanDerWaalsContact O-N 3.17Å; T791-T794 PolarHBondContact O-OG1 2.8Å; T791-T794 WeakPolarHBondContact OG1-CB 3.25Å; T791-T794 PolarHBondContact OG1-N 3.34Å; T791-T794 VanDerWaalsContact OG1-N 3.08Å; T791-T794 PolarHBondContact OG1-OG1 3.4Å; T794-V796 VanDerWaalsContact C-N 3.31Å; T794-V796 PolarHBondContact O-N 2.66Å; T794-T798 VanDerWaalsContact O-CB 3.25Å; T794-T798 WeakPolarHBondContact O-CB 3.3Å; T794-T798 VanDerWaalsContact O-CG2 3.22Å; T794-T798 WeakPolarHBondContact O-CG2 3.41Å; T794-T798 PolarHBondContact O-N 3.14Å; T794-T798 PolarHBondContact O-OG1 3.38Å
795	A	93.9	Very high	93	Very high	42 Å²	42	28.1 Å²	28.1	35%	0.347	18%	0.184	S	C	.	.	H	α-helix	trans	-60.3	-39	176.8	0	0	0	0	0	112.7	P789 T791 S792 A799	P789-A795 HydrophobicContact CB-CB 3.75Å; T791-A795 WeakPolarHBondContact O-CB 3.19Å; T791-A795 PolarHBondContact O-N 2.74Å; S792-A795 PolarHBondContact O-N 3.4Å; A795-A799 VanDerWaalsContact O-CB 3.32Å; A795-A799 WeakPolarHBondContact O-CB 3.39Å
796	V	95	Very high	93.5	Very high	91 Å²	91	27.9 Å²	27.9	55%	0.552	18%	0.182	S	C	*	.	H	α-helix	trans	-76.4	-55.2	174.7	178.8	0	0	0	0	111.1	S792 T794 A799 S800	S792-V796 PolarHBondContact O-N 2.84Å; T794-V796 VanDerWaalsContact C-N 3.31Å; T794-V796 PolarHBondContact O-N 2.66Å; V796-A799 PolarHBondContact O-N 3.34Å; V796-S800 PolarHBondContact O-N 2.76Å; V796-S800 VanDerWaalsContact O-N 3.14Å; V796-S800 PolarHBondContact O-OG 2.97Å
797	Y	96.1	Very high	94.1	Very high	15 Å²	15	27.7 Å²	27.7	6%	0.059	18%	0.176	C	C	.	.	H	α-helix	trans	-71	-37.2	-170.5	-73.1	-21.1	0	0	0	114.2	W651 D667 C668 T713 W714 E715 V793 A799 S800 V801	W651-Y797 HydrophobicContact CZ3-CD2 4.42Å; W651-Y797 HydrophobicContact CZ3-CG 4.45Å; D667-Y797 HydrophobicContact CB-CD1 4.07Å; D667-Y797 HydrophobicContact CB-CD2 4.41Å; D667-Y797 HydrophobicContact CB-CE1 3.79Å; D667-Y797 HydrophobicContact CB-CE2 4.14Å; D667-Y797 HydrophobicContact CB-CG 4.36Å; D667-Y797 VanDerWaalsContact CG-CE1 3.43Å; D667-Y797 WeakPolarHBondContact OD2-CE1 3.43Å; C668-Y797 WeakPolarHBondContact O-CE2 3.37Å; T713-Y797 WeakPolarHBondContact CB-OH 3.16Å; T713-Y797 HydrophobicContact CG2-CE2 4.29Å; W714-Y797 VanDerWaalsContact CD1-OH 3.26Å; E715-Y797 PolarHBondContact OE1-OH 3.17Å; E715-Y797 PolarHBondContact OE2-OH 3.48Å; V793-Y797 HydrophobicContact CG1-CD2 3.79Å; V793-Y797 HydrophobicContact CG1-CE2 4.01Å; V793-Y797 WeakPolarHBondContact O-CB 3.43Å; V793-Y797 PolarHBondContact O-N 3.09Å; Y797-A799 VanDerWaalsContact C-N 3.32Å; Y797-A799 PolarHBondContact O-N 3.19Å; Y797-S800 PolarHBondContact O-N 2.93Å; Y797-V801 WeakPolarHBondContact O-CG1 3.38Å; Y797-V801 PolarHBondContact O-N 2.72Å
798	T	94.6	Very high	94.5	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.037	18%	0.175	C	C	.	.	H	α-helix	trans	-66.8	-36.5	176.4	64	0	0	0	0	111.2	W651 M787 T794 S800 L802	W651-T798 HydrophobicContact CH2-CG2 4.41Å; W651-T798 HydrophobicContact CZ2-CG2 4.08Å; M787-T798 HydrophobicContact CB-CG2 4.4Å; M787-T798 PolarHBondContact O-OG1 3.38Å; M787-T798 HydrophobicContact SD-CG2 3.98Å; T794-T798 VanDerWaalsContact O-CB 3.25Å; T794-T798 WeakPolarHBondContact O-CB 3.3Å; T794-T798 VanDerWaalsContact O-CG2 3.22Å; T794-T798 WeakPolarHBondContact O-CG2 3.41Å; T794-T798 PolarHBondContact O-N 3.14Å; T794-T798 PolarHBondContact O-OG1 3.38Å; T798-S800 VanDerWaalsContact C-N 3.33Å; T798-S800 PolarHBondContact O-N 2.76Å; T798-L802 WeakPolarHBondContact O-CB 3.35Å; T798-L802 WeakPolarHBondContact O-CD1 3.33Å; T798-L802 WeakPolarHBondContact O-CG 3.48Å; T798-L802 PolarHBondContact O-N 3.34Å
799	A	94.4	Very high	95.1	Very high	23 Å²	23	26.3 Å²	26.3	19%	0.19	17%	0.168	C	C	.	.	H	α-helix	trans	-66.5	-33.8	176.3	0	0	0	0	0	112.7	R233 A795 V796 Y797	R233-A799 HydrophobicContact CG-CB 4.48Å; R233-A799 WeakPolarHBondContact CG-O 3.18Å; R233-A799 PolarHBondContact NE-O 3.43Å; A795-A799 VanDerWaalsContact O-CB 3.32Å; A795-A799 WeakPolarHBondContact O-CB 3.39Å; V796-A799 PolarHBondContact O-N 3.34Å; Y797-A799 VanDerWaalsContact C-N 3.32Å; Y797-A799 PolarHBondContact O-N 3.19Å
800	S	96.4	Very high	95.3	Very high	36 Å²	36	22.2 Å²	22.2	25%	0.252	14%	0.141	S	C	.	.	H	α-helix	trans	-76.6	-49.3	176	-62.6	0	0	0	0	112.6	Y665 V796 Y797 T798 L802 E803 D804	Y665-S800 VanDerWaalsContact OH-C 3.27Å; Y665-S800 VanDerWaalsContact OH-CB 3.32Å; Y665-S800 WeakPolarHBondContact OH-CB 3.03Å; V796-S800 PolarHBondContact O-N 2.76Å; V796-S800 VanDerWaalsContact O-N 3.14Å; V796-S800 PolarHBondContact O-OG 2.97Å; Y797-S800 PolarHBondContact O-N 2.93Å; T798-S800 VanDerWaalsContact C-N 3.33Å; T798-S800 PolarHBondContact O-N 2.76Å; S800-L802 VanDerWaalsContact C-N 3.29Å; S800-L802 PolarHBondContact O-N 2.89Å; S800-E803 WeakPolarHBondContact O-CB 3.5Å; S800-E803 PolarHBondContact O-N 3.1Å; S800-E803 VanDerWaalsContact O-N 3.14Å; S800-D804 WeakPolarHBondContact O-CB 3.3Å; S800-D804 PolarHBondContact O-N 2.75Å
801	V	97.4	Very high	95.7	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.1	-32.2	-177.7	74.6	0	0	0	0	112.5	W651 Y665 L762 M787 Y797 T805 F823	W651-V801 HydrophobicContact CB-CG2 4.27Å; W651-V801 HydrophobicContact CD2-CG1 4.33Å; W651-V801 HydrophobicContact CD2-CG2 4.35Å; W651-V801 HydrophobicContact CG-CG2 4.24Å; W651-V801 HydrophobicContact CZ2-CG1 4.28Å; Y665-V801 HydrophobicContact CD1-CB 4.08Å; Y665-V801 HydrophobicContact CD1-CG2 3.86Å; Y665-V801 HydrophobicContact CD2-CG2 3.85Å; Y665-V801 HydrophobicContact CE1-CB 3.69Å; Y665-V801 HydrophobicContact CE1-CG2 3.95Å; Y665-V801 HydrophobicContact CE2-CB 4.19Å; Y665-V801 HydrophobicContact CE2-CG2 3.96Å; Y665-V801 HydrophobicContact CG-CB 4.47Å; Y665-V801 HydrophobicContact CG-CG2 3.81Å; Y665-V801 PolarHBondContact OH-N 3.26Å; L762-V801 HydrophobicContact CD1-CG2 4.25Å; L762-V801 HydrophobicContact CD2-CG2 4.34Å; M787-V801 HydrophobicContact CE-CG1 3.78Å; M787-V801 HydrophobicContact SD-CG1 4.01Å; Y797-V801 WeakPolarHBondContact O-CG1 3.38Å; Y797-V801 PolarHBondContact O-N 2.72Å; V801-T805 VanDerWaalsContact O-CB 3.3Å; V801-T805 WeakPolarHBondContact O-CB 3.39Å; V801-T805 PolarHBondContact O-N 3.26Å; V801-T805 PolarHBondContact O-OG1 3.49Å; V801-F823 HydrophobicContact CG2-CE2 4.14Å; V801-F823 HydrophobicContact CG2-CZ 3.82Å
802	L	96.9	Very high	95.7	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-66.7	-43.1	173.5	-74.7	175.4	0	0	0	112.3	Y231 R233 I234 W334 M787 T798 S800	Y231-L802 HydrophobicContact CD1-CD1 4.46Å; Y231-L802 HydrophobicContact CD1-CD2 4.44Å; R233-L802 HydrophobicContact CB-CB 4.47Å; R233-L802 HydrophobicContact CB-CD1 4.08Å; R233-L802 HydrophobicContact CG-CB 4.16Å; I234-L802 HydrophobicContact CD1-CB 3.82Å; I234-L802 HydrophobicContact CD1-CD2 3.98Å; I234-L802 HydrophobicContact CD1-CG 4.45Å; I234-L802 VanDerWaalsContact CD1-O 3.27Å; I234-L802 WeakPolarHBondContact CD1-O 3.13Å; I234-L802 HydrophobicContact CG1-CB 4.31Å; I234-L802 HydrophobicContact CG1-CD2 4.05Å; W334-L802 HydrophobicContact CH2-CD2 3.86Å; W334-L802 HydrophobicContact CZ2-CD2 3.44Å; W334-L802 VanDerWaalsContact CZ2-CD2 3.44Å; M787-L802 HydrophobicContact CB-CD1 4.15Å; M787-L802 HydrophobicContact CE-CD2 4.34Å; M787-L802 HydrophobicContact CG-CD1 4.37Å; M787-L802 HydrophobicContact CG-CD2 4.15Å; M787-L802 HydrophobicContact CG-CG 4.36Å; T798-L802 WeakPolarHBondContact O-CB 3.35Å; T798-L802 WeakPolarHBondContact O-CD1 3.33Å; T798-L802 WeakPolarHBondContact O-CG 3.48Å; T798-L802 PolarHBondContact O-N 3.34Å; S800-L802 VanDerWaalsContact C-N 3.29Å; S800-L802 PolarHBondContact O-N 2.89Å
803	E	96.4	Very high	95.4	Very high	35 Å²	35	25.7 Å²	25.7	16%	0.164	14%	0.142	C	C	.	.	H	α-helix	trans	-65	-49.6	175.6	179.8	63.4	-128.1	0	0	111.1	A237 R241 S800 T805 L806 K807	A237-E803 WeakPolarHBondContact CB-OE2 3.42Å; R241-E803 IonicContact CZ-OE1 3.02Å; R241-E803 IonicContact NH1-OE1 2.75Å; R241-E803 PolarHBondContact NH1-OE1 3.41Å; R241-E803 IonicContact NH2-OE1 2.8Å; R241-E803 PolarHBondContact NH2-OE1 3.42Å; S800-E803 WeakPolarHBondContact O-CB 3.5Å; S800-E803 PolarHBondContact O-N 3.1Å; S800-E803 VanDerWaalsContact O-N 3.14Å; E803-T805 VanDerWaalsContact C-N 3.28Å; E803-T805 PolarHBondContact O-N 3.03Å; E803-L806 WeakPolarHBondContact O-CB 3.43Å; E803-L806 PolarHBondContact O-N 2.85Å; E803-K807 PolarHBondContact O-N 3Å
804	D	98	Very high	95	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.043	16%	0.164	C	C	.	.	H	α-helix	trans	-66.4	-29.5	-178.1	-69.6	-14.7	0	0	0	112.5	Y665 S800 L806 K807 V808 G821 R822 F823	Y665-D804 HydrophobicContact CE2-CB 3.79Å; Y665-D804 VanDerWaalsContact CE2-OD2 3.32Å; Y665-D804 WeakPolarHBondContact CE2-OD2 3.49Å; Y665-D804 PolarHBondContact OH-OD2 3.23Å; S800-D804 WeakPolarHBondContact O-CB 3.3Å; S800-D804 PolarHBondContact O-N 2.75Å; D804-L806 VanDerWaalsContact C-N 3.3Å; D804-L806 PolarHBondContact O-N 3.11Å; D804-K807 WeakPolarHBondContact O-CB 3.47Å; D804-K807 PolarHBondContact O-N 2.72Å; D804-K807 WeakPolarHBondContact OD1-CD 3.24Å; D804-K807 WeakPolarHBondContact OD1-CE 3.09Å; D804-K807 IonicContact OD1-NZ 2.71Å; D804-K807 PolarHBondContact OD1-NZ 2.87Å; D804-V808 PolarHBondContact O-N 2.84Å; D804-G821 WeakPolarHBondContact OD1-CA 3.2Å; D804-R822 PolarHBondContact OD2-N 3.35Å; D804-F823 HydrophobicContact CB-CD2 3.82Å; D804-F823 HydrophobicContact CB-CE2 4.04Å
805	T	98	Very high	94.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-43.1	171.5	-65	0	0	0	0	110.5	W334 L653 F760 V801 E803 K807 V808 V809	W334-T805 HydrophobicContact CH2-CG2 3.97Å; W334-T805 HydrophobicContact CZ3-CG2 4.03Å; L653-T805 HydrophobicContact CD1-CG2 4.23Å; L653-T805 HydrophobicContact CD2-CG2 4.15Å; F760-T805 HydrophobicContact CD2-CG2 4.26Å; F760-T805 HydrophobicContact CE2-CG2 3.65Å; F760-T805 HydrophobicContact CZ-CG2 4.37Å; V801-T805 VanDerWaalsContact O-CB 3.3Å; V801-T805 WeakPolarHBondContact O-CB 3.39Å; V801-T805 PolarHBondContact O-N 3.26Å; V801-T805 PolarHBondContact O-OG1 3.49Å; E803-T805 VanDerWaalsContact C-N 3.28Å; E803-T805 PolarHBondContact O-N 3.03Å; T805-K807 VanDerWaalsContact C-N 3.35Å; T805-K807 PolarHBondContact O-N 2.95Å; T805-V808 PolarHBondContact O-N 3.11Å; T805-V809 HydrophobicContact CG2-CG1 4.49Å; T805-V809 WeakPolarHBondContact O-CG2 3.45Å; T805-V809 PolarHBondContact O-N 2.83Å
806	L	97.4	Very high	94.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.2	-37.2	176.1	-61.4	176.7	0	0	0	111.9	I234 A237 L238 F332 W334 E803 D804 V808 V809 L810 D811	I234-L806 HydrophobicContact CD1-CD1 3.84Å; I234-L806 HydrophobicContact CD1-CD2 4.18Å; I234-L806 HydrophobicContact CD1-CG 3.89Å; I234-L806 HydrophobicContact CG2-CD1 4.36Å; A237-L806 HydrophobicContact CB-CD1 3.48Å; A237-L806 VanDerWaalsContact CB-CD1 3.48Å; L238-L806 HydrophobicContact CD2-CD1 4.18Å; L238-L806 HydrophobicContact CD2-CD2 4.18Å; L238-L806 HydrophobicContact CG-CD1 4.1Å; F332-L806 HydrophobicContact CE1-CD2 3.84Å; F332-L806 HydrophobicContact CE2-CD2 4.2Å; F332-L806 HydrophobicContact CZ-CD2 3.39Å; W334-L806 HydrophobicContact CE3-CD2 4.49Å; W334-L806 HydrophobicContact CZ3-CD2 4.26Å; E803-L806 WeakPolarHBondContact O-CB 3.43Å; E803-L806 PolarHBondContact O-N 2.85Å; D804-L806 VanDerWaalsContact C-N 3.3Å; D804-L806 PolarHBondContact O-N 3.11Å; L806-V808 VanDerWaalsContact C-N 3.31Å; L806-V808 PolarHBondContact O-N 2.88Å; L806-V809 PolarHBondContact O-N 3.19Å; L806-L810 HydrophobicContact CD2-CD1 4.18Å; L806-L810 WeakPolarHBondContact O-CA 3.21Å; L806-L810 VanDerWaalsContact O-CB 3.32Å; L806-L810 WeakPolarHBondContact O-CB 3.44Å; L806-L810 PolarHBondContact O-N 3.01Å; L806-D811 PolarHBondContact O-N 3.25Å
807	K	97.3	Very high	94.3	Very high	37 Å²	37	46.4 Å²	46.4	16%	0.161	22%	0.218	C	C	.	.	I	π-helix	trans	-57.4	-44.5	172.8	-59.3	178.6	-174.1	167.8	0	111.8	E803 D804 T805 D811 K812 D819	E803-K807 PolarHBondContact O-N 3Å; D804-K807 WeakPolarHBondContact O-CB 3.47Å; D804-K807 PolarHBondContact O-N 2.72Å; D804-K807 WeakPolarHBondContact OD1-CD 3.24Å; D804-K807 WeakPolarHBondContact OD1-CE 3.09Å; D804-K807 IonicContact OD1-NZ 2.71Å; D804-K807 PolarHBondContact OD1-NZ 2.87Å; T805-K807 VanDerWaalsContact C-N 3.35Å; T805-K807 PolarHBondContact O-N 2.95Å; K807-D811 WeakPolarHBondContact CA-OD2 3.4Å; K807-D811 PolarHBondContact O-N 3.19Å; K807-K812 PolarHBondContact O-N 2.95Å; K807-D819 HydrophobicContact CD-CB 4.49Å; K807-D819 VanDerWaalsContact CD-OD2 3.28Å; K807-D819 WeakPolarHBondContact CD-OD2 3.5Å; K807-D819 VanDerWaalsContact CE-OD2 3.28Å; K807-D819 WeakPolarHBondContact CE-OD2 3.32Å; K807-D819 IonicContact NZ-OD2 3.71Å; K807-D819 PolarHBondContact NZ-OD2 2.82Å
808	V	96.9	Very high	94.1	Very high	10 Å²	10	46.7 Å²	46.7	6%	0.061	22%	0.223	C	C	.	.	I	π-helix	trans	-69.5	-45.6	178.7	176.2	0	0	0	0	112.3	L653 T655 W663 D804 T805 L806 V820 F823	L653-V808 HydrophobicContact CD2-CB 3.89Å; L653-V808 HydrophobicContact CD2-CG1 3.76Å; L653-V808 HydrophobicContact CD2-CG2 4.37Å; T655-V808 HydrophobicContact CG2-CG1 3.85Å; W663-V808 HydrophobicContact CD2-CG1 3.79Å; W663-V808 HydrophobicContact CE3-CG1 4.33Å; W663-V808 HydrophobicContact CE3-CG2 4.4Å; W663-V808 HydrophobicContact CG-CG1 4.1Å; W663-V808 HydrophobicContact CZ2-CG1 4Å; D804-V808 PolarHBondContact O-N 2.84Å; T805-V808 PolarHBondContact O-N 3.11Å; L806-V808 VanDerWaalsContact C-N 3.31Å; L806-V808 PolarHBondContact O-N 2.88Å; V808-V820 HydrophobicContact CG2-CB 3.95Å; V808-V820 HydrophobicContact CG2-CG1 3.97Å; V808-F823 HydrophobicContact CG2-CB 3.75Å; V808-F823 HydrophobicContact CG2-CD2 3.72Å; V808-F823 HydrophobicContact CG2-CG 3.9Å
809	V	96.2	Very high	94.2	Very high	14 Å²	14	50.9 Å²	50.9	9%	0.085	25%	0.245	C	C	.	.	I	π-helix	trans	-90.1	-21.9	-171.2	-54	0	0	0	0	115.1	F332 L653 T655 F760 T805 L806	F332-V809 HydrophobicContact CE2-CG2 3.99Å; F332-V809 HydrophobicContact CZ-CG2 4.44Å; L653-V809 HydrophobicContact CD2-CG1 4.35Å; T655-V809 HydrophobicContact CG2-CG1 4.03Å; F760-V809 HydrophobicContact CB-CG1 4.1Å; F760-V809 HydrophobicContact CD1-CB 4.14Å; F760-V809 HydrophobicContact CD1-CG1 3.89Å; F760-V809 HydrophobicContact CD1-CG2 4.2Å; F760-V809 HydrophobicContact CD2-CG1 3.95Å; F760-V809 HydrophobicContact CE1-CB 4.23Å; F760-V809 HydrophobicContact CE1-CG1 4.25Å; F760-V809 HydrophobicContact CE1-CG2 3.77Å; F760-V809 HydrophobicContact CE2-CG1 4.28Å; F760-V809 HydrophobicContact CE2-CG2 4.43Å; F760-V809 HydrophobicContact CG-CB 4.48Å; F760-V809 HydrophobicContact CG-CG1 3.72Å; F760-V809 HydrophobicContact CZ-CG1 4.42Å; F760-V809 HydrophobicContact CZ-CG2 3.88Å; T805-V809 HydrophobicContact CG2-CG1 4.49Å; T805-V809 WeakPolarHBondContact O-CG2 3.45Å; T805-V809 PolarHBondContact O-N 2.83Å; L806-V809 PolarHBondContact O-N 3.19Å
810	L	95	Very high	94.2	Very high	1 Å²	1	51 Å²	51	1%	0.005	24%	0.243	C	C	.	.	I	π-helix	trans	-111.5	-65.1	176.1	-61.9	-179.7	0	0	0	111.4	L238 W243 F332 I351 L806 K812 K813 Y814	L238-L810 HydrophobicContact CD2-CD1 3.49Å; L238-L810 VanDerWaalsContact CD2-CD1 3.49Å; W243-L810 HydrophobicContact CH2-CD1 4.42Å; W243-L810 HydrophobicContact CH2-CD2 4.05Å; W243-L810 HydrophobicContact CZ2-CD1 3.82Å; W243-L810 HydrophobicContact CZ2-CD2 3.91Å; W243-L810 HydrophobicContact CZ2-CG 4.44Å; F332-L810 HydrophobicContact CD2-CD1 4.24Å; F332-L810 HydrophobicContact CD2-CD2 3.79Å; F332-L810 HydrophobicContact CD2-CG 4.3Å; F332-L810 HydrophobicContact CE2-CD1 4.21Å; F332-L810 HydrophobicContact CE2-CD2 4.03Å; F332-L810 HydrophobicContact CE2-CG 4.14Å; I351-L810 HydrophobicContact CD1-CD2 3.76Å; L806-L810 HydrophobicContact CD2-CD1 4.18Å; L806-L810 WeakPolarHBondContact O-CA 3.21Å; L806-L810 VanDerWaalsContact O-CB 3.32Å; L806-L810 WeakPolarHBondContact O-CB 3.44Å; L806-L810 PolarHBondContact O-N 3.01Å; L810-K812 VanDerWaalsContact C-N 3.35Å; L810-K812 PolarHBondContact O-N 2.85Å; L810-K813 WeakPolarHBondContact O-CA 3.25Å; L810-K813 WeakPolarHBondContact O-CB 3.49Å; L810-K813 PolarHBondContact O-N 3.22Å; L810-Y814 WeakPolarHBondContact O-CD2 3.41Å; L810-Y814 PolarHBondContact O-N 2.96Å
811	D	94.7	Very high	94.2	Very high	41 Å²	41	50.4 Å²	50.4	22%	0.219	24%	0.243	C	C	.	.	I	π-helix	trans	-64.5	-41.6	-165	-54.7	-25.3	0	0	0	111.3	R241 L806 K807 K813 Y814 N815	R241-D811 WeakPolarHBondContact CD-OD1 3.38Å; R241-D811 IonicContact CZ-OD1 3.54Å; R241-D811 IonicContact CZ-OD2 2.93Å; R241-D811 VanDerWaalsContact CZ-OD2 3.26Å; R241-D811 VanDerWaalsContact NE-CG 3.34Å; R241-D811 IonicContact NE-OD1 3.68Å; R241-D811 PolarHBondContact NE-OD1 3.28Å; R241-D811 IonicContact NE-OD2 3.82Å; R241-D811 PolarHBondContact NE-OD2 3Å; R241-D811 IonicContact NH2-OD2 2.66Å; R241-D811 PolarHBondContact NH2-OD2 3.31Å; L806-D811 PolarHBondContact O-N 3.25Å; K807-D811 WeakPolarHBondContact CA-OD2 3.4Å; K807-D811 PolarHBondContact O-N 3.19Å; D811-K813 PolarHBondContact O-N 3.49Å; D811-Y814 PolarHBondContact O-N 2.77Å; D811-Y814 VanDerWaalsContact O-N 3.09Å; D811-N815 PolarHBondContact O-N 3.48Å
812	K	92	Very high	94.2	Very high	52 Å²	52	54.7 Å²	54.7	23%	0.226	26%	0.259	C	S	.	.	H	α-helix	trans	-65.8	-20.2	176.4	-155.8	169.6	-150.5	58	0	114.4	W663 K807 L810 N815 R816 S818 V820	W663-K812 HydrophobicContact CH2-CD 3.73Å; W663-K812 HydrophobicContact CZ2-CD 4.42Å; W663-K812 HydrophobicContact CZ3-CD 4.44Å; K807-K812 PolarHBondContact O-N 2.95Å; L810-K812 VanDerWaalsContact C-N 3.35Å; L810-K812 PolarHBondContact O-N 2.85Å; K812-N815 VanDerWaalsContact CA-O 3.31Å; K812-N815 WeakPolarHBondContact CA-O 3.39Å; K812-N815 CarbonylContact O-C 3.59Å; K812-R816 WeakPolarHBondContact CE-O 3.03Å; K812-R816 PolarHBondContact NZ-O 2.96Å; K812-S818 VanDerWaalsContact CA-OG 3.24Å; K812-S818 WeakPolarHBondContact CA-OG 3.44Å; K812-S818 WeakPolarHBondContact CB-OG 3.41Å; K812-S818 PolarHBondContact N-OG 3.34Å; K812-S818 PolarHBondContact NZ-O 3.49Å; K812-V820 HydrophobicContact CD-CG1 3.6Å
813	K	87.3	Confident	94.3	Very high	108 Å²	108	54.6 Å²	54.6	47%	0.47	26%	0.258	S	S	.	.	H	α-helix	trans	-79.2	-29.1	176.3	-164.8	179.1	-173.5	170.3	0	111.9	N758 L810 D811	N758-K813 PolarHBondContact OD1-NZ 2.76Å; L810-K813 WeakPolarHBondContact O-CA 3.25Å; L810-K813 WeakPolarHBondContact O-CB 3.49Å; L810-K813 PolarHBondContact O-N 3.22Å; D811-K813 PolarHBondContact O-N 3.49Å
814	Y	86	Confident	94.3	Very high	133 Å²	133	55.5 Å²	55.5	52%	0.522	26%	0.262	S	S	.	.	H	α-helix	trans	-86.5	-44.4	172.8	-63.9	-72.9	0	0	0	111.8	L810 D811	L810-Y814 WeakPolarHBondContact O-CD2 3.41Å; L810-Y814 PolarHBondContact O-N 2.96Å; D811-Y814 PolarHBondContact O-N 2.77Å; D811-Y814 VanDerWaalsContact O-N 3.09Å
815	N	90	Very high	94.3	Very high	87 Å²	87	59.1 Å²	59.1	47%	0.465	28%	0.282	S	S	.	.			trans	-129.1	110	177	176.3	6.2	0	0	0	110.2	D811 K812 N817 S818	D811-N815 PolarHBondContact O-N 3.48Å; K812-N815 VanDerWaalsContact CA-O 3.31Å; K812-N815 WeakPolarHBondContact CA-O 3.39Å; K812-N815 CarbonylContact O-C 3.59Å; N815-N817 PolarHBondContact O-N 3.43Å; N815-N817 WeakPolarHBondContact OD1-CB 3.44Å; N815-N817 PolarHBondContact OD1-N 3.24Å; N815-S818 VanDerWaalsContact O-CB 3.29Å; N815-S818 WeakPolarHBondContact O-CB 3.13Å; N815-S818 PolarHBondContact O-N 3.05Å; N815-S818 PolarHBondContact O-OG 3.05Å
816	R	89.1	Confident	94.2	Very high	214 Å²	214	61.1 Å²	61.1	81%	0.808	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.8	-179.8	-65.4	-177.8	-179.2	176	2	113.5	K812 S818	K812-R816 WeakPolarHBondContact CE-O 3.03Å; K812-R816 PolarHBondContact NZ-O 2.96Å; R816-S818 VanDerWaalsContact C-N 3.31Å
817	N	90.3	Very high	94.2	Very high	146 Å²	146	64.1 Å²	64.1	78%	0.781	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	10.9	-179.1	-58.1	-2.7	0	0	0	112.3	N815	N815-N817 PolarHBondContact O-N 3.43Å; N815-N817 WeakPolarHBondContact OD1-CB 3.44Å; N815-N817 PolarHBondContact OD1-N 3.24Å
818	S	92.3	Very high	94	Very high	21 Å²	21	69.3 Å²	69.3	15%	0.147	32%	0.322	C	S	.	.	S	Bend	trans	-59.5	153.6	171.9	77.5	0	0	0	0	111.1	K812 N815 R816	K812-S818 VanDerWaalsContact CA-OG 3.24Å; K812-S818 WeakPolarHBondContact CA-OG 3.44Å; K812-S818 WeakPolarHBondContact CB-OG 3.41Å; K812-S818 PolarHBondContact N-OG 3.34Å; K812-S818 PolarHBondContact NZ-O 3.49Å; N815-S818 VanDerWaalsContact O-CB 3.29Å; N815-S818 WeakPolarHBondContact O-CB 3.13Å; N815-S818 PolarHBondContact O-N 3.05Å; N815-S818 PolarHBondContact O-OG 3.05Å; R816-S818 VanDerWaalsContact C-N 3.31Å
819	D	95.3	Very high	93.6	Very high	94 Å²	94	71.2 Å²	71.2	50%	0.503	33%	0.33	S	S	.	.			trans	-50.1	153.1	156.8	-177.1	34.8	0	0	0	110.9	K807 G821	K807-D819 HydrophobicContact CD-CB 4.49Å; K807-D819 VanDerWaalsContact CD-OD2 3.28Å; K807-D819 WeakPolarHBondContact CD-OD2 3.5Å; K807-D819 VanDerWaalsContact CE-OD2 3.28Å; K807-D819 WeakPolarHBondContact CE-OD2 3.32Å; K807-D819 IonicContact NZ-OD2 3.71Å; K807-D819 PolarHBondContact NZ-OD2 2.82Å; D819-G821 WeakPolarHBondContact OD1-CA 3.36Å; D819-G821 PolarHBondContact OD1-N 3.18Å; D819-G821 PolarHBondContact OD2-N 3.42Å
820	V	95.8	Very high	92.9	Very high	25 Å²	25	74.5 Å²	74.5	15%	0.152	35%	0.352	C	S	.	.			trans	-126.3	3.6	173	-71.9	0	0	0	0	111.3	W663 V808 K812 R822 F823	W663-V820 HydrophobicContact CZ3-CG1 4.25Å; V808-V820 HydrophobicContact CG2-CB 3.95Å; V808-V820 HydrophobicContact CG2-CG1 3.97Å; K812-V820 HydrophobicContact CD-CG1 3.6Å; V820-R822 PolarHBondContact O-N 2.89Å; V820-F823 HydrophobicContact CB-CB 4.42Å; V820-F823 WeakPolarHBondContact CG2-O 3.06Å; V820-F823 PolarHBondContact O-N 2.62Å
821	G	96.7	Very high	91.5	Very high	24 Å²	24	81.4 Å²	81.4	25%	0.247	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	-130.3	-171.3	0	0	0	0	0	110.8	D804 D819 F823	D804-G821 WeakPolarHBondContact OD1-CA 3.2Å; D819-G821 WeakPolarHBondContact OD1-CA 3.36Å; D819-G821 PolarHBondContact OD1-N 3.18Å; D819-G821 PolarHBondContact OD2-N 3.42Å; G821-F823 VanDerWaalsContact C-N 3.28Å; G821-F823 PolarHBondContact O-N 3.47Å
822	R	97.4	Very high	89.6	Confident	91 Å²	91	84.5 Å²	84.5	34%	0.343	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	16.8	-176.7	-57.7	177.9	68.8	79.1	-10.3	113	Y665 Q666 D667 D804 V820	Y665-R822 HydrophobicContact CD2-CB 4.32Å; Y665-R822 WeakPolarHBondContact CD2-O 3.45Å; Y665-R822 HydrophobicContact CE1-CB 4.32Å; Y665-R822 HydrophobicContact CE2-CB 3.71Å; Q666-R822 HydrophobicContact CB-CB 4.39Å; Q666-R822 WeakPolarHBondContact CG-O 3.28Å; Q666-R822 PolarHBondContact N-O 3.25Å; D667-R822 IonicContact OD1-CZ 2.64Å; D667-R822 VanDerWaalsContact OD1-CZ 3.29Å; D667-R822 IonicContact OD1-NE 2.68Å; D667-R822 PolarHBondContact OD1-NE 2.91Å; D667-R822 IonicContact OD1-NH2 3.6Å; D667-R822 PolarHBondContact OD1-NH2 2.8Å; D667-R822 VanDerWaalsContact OD2-CD 3.24Å; D667-R822 WeakPolarHBondContact OD2-CD 3.31Å; D667-R822 IonicContact OD2-CZ 3.04Å; D667-R822 IonicContact OD2-NE 3.37Å; D667-R822 PolarHBondContact OD2-NE 2.69Å; D667-R822 IonicContact OD2-NH2 2.74Å; D804-R822 PolarHBondContact OD2-N 3.35Å; V820-R822 PolarHBondContact O-N 2.89Å
823	F	98.2	Very high	87.4	Confident	5 Å²	5	86.6 Å²	86.6	2%	0.022	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	131.8	165.1	-82.1	-69.6	0	0	0	112.3	L653 W663 W664 Y665 L762 V801 D804 V808 V820 G821	L653-F823 HydrophobicContact CB-CD1 4.29Å; L653-F823 HydrophobicContact CB-CE1 3.52Å; L653-F823 HydrophobicContact CB-CZ 3.79Å; L653-F823 HydrophobicContact CD2-CD2 4.45Å; L653-F823 HydrophobicContact CD2-CE1 4.16Å; L653-F823 HydrophobicContact CD2-CE2 4.07Å; L653-F823 HydrophobicContact CD2-CZ 3.92Å; W663-F823 HydrophobicContact CB-CB 4.46Å; W663-F823 HydrophobicContact CB-CD1 3.69Å; W663-F823 HydrophobicContact CB-CE1 4.35Å; W663-F823 HydrophobicContact CB-CG 4.34Å; W663-F823 HydrophobicContact CE3-CB 4.43Å; W664-F823 CarbonylContact O-C 3.54Å; W664-F823 WeakPolarHBondContact O-CA 3.48Å; Y665-F823 AromaticContact CD2-CD1 3.76Å; Y665-F823 HydrophobicContact CD2-CD1 3.76Å; Y665-F823 AromaticContact CD2-CD2 3.68Å; Y665-F823 HydrophobicContact CD2-CD2 3.68Å; Y665-F823 AromaticContact CD2-CE1 3.72Å; Y665-F823 HydrophobicContact CD2-CE1 3.72Å; Y665-F823 AromaticContact CD2-CE2 3.63Å; Y665-F823 HydrophobicContact CD2-CE2 3.63Å; Y665-F823 AromaticContact CD2-CG 3.72Å; Y665-F823 HydrophobicContact CD2-CG 3.72Å; Y665-F823 AromaticContact CD2-CZ 3.65Å; Y665-F823 HydrophobicContact CD2-CZ 3.65Å; Y665-F823 AromaticContact CE2-CD2 3.89Å; Y665-F823 HydrophobicContact CE2-CD2 3.89Å; Y665-F823 AromaticContact CE2-CE2 3.89Å; Y665-F823 HydrophobicContact CE2-CE2 3.89Å; Y665-F823 HydrophobicContact CE2-CG 4.3Å; Y665-F823 HydrophobicContact CE2-CZ 4.33Å; Y665-F823 HydrophobicContact CG-CD1 4.5Å; Y665-F823 HydrophobicContact CG-CE1 4.24Å; Y665-F823 HydrophobicContact CG-CZ 4.32Å; L762-F823 HydrophobicContact CD1-CZ 4.06Å; V801-F823 HydrophobicContact CG2-CE2 4.14Å; V801-F823 HydrophobicContact CG2-CZ 3.82Å; D804-F823 HydrophobicContact CB-CD2 3.82Å; D804-F823 HydrophobicContact CB-CE2 4.04Å; V808-F823 HydrophobicContact CG2-CB 3.75Å; V808-F823 HydrophobicContact CG2-CD2 3.72Å; V808-F823 HydrophobicContact CG2-CG 3.9Å; V820-F823 HydrophobicContact CB-CB 4.42Å; V820-F823 WeakPolarHBondContact CG2-O 3.06Å; V820-F823 PolarHBondContact O-N 2.62Å; G821-F823 VanDerWaalsContact C-N 3.28Å; G821-F823 PolarHBondContact O-N 3.47Å
824	E	96.6	Very high	85.3	Confident	54 Å²	54	85.3 Å²	85.3	25%	0.252	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	150.7	166.3	62	-178	-140.4	0	0	110.9	W663 W664 Q666 K739 L826	W663-E824 CarbonylContact C-O 3.5Å; W663-E824 VanDerWaalsContact CA-O 3.22Å; W663-E824 WeakPolarHBondContact CA-O 3.38Å; W664-E824 HydrophobicContact CB-CG 3.87Å; W664-E824 HydrophobicContact CG-CG 4.48Å; W664-E824 PolarHBondContact N-O 2.93Å; W664-E824 PolarHBondContact O-N 3.06Å; Q666-E824 HydrophobicContact CG-CG 4.3Å; Q666-E824 WeakPolarHBondContact CG-OE2 3.42Å; Q666-E824 PolarHBondContact NE2-OE2 3.1Å; K739-E824 WeakPolarHBondContact CE-OE1 3.4Å; K739-E824 IonicContact NZ-OE1 2.77Å; K739-E824 PolarHBondContact NZ-OE1 3.37Å; E824-L826 PolarHBondContact O-N 3.45Å
825	L	97.1	Very high	83.2	Confident	85 Å²	85	83.3 Å²	83.3	45%	0.445	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	99.3	176.8	-178.8	66.1	0	0	0	109.5	T661 W663 R828	T661-L825 HydrophobicContact CG2-CD1 3.96Å; W663-L825 HydrophobicContact CD2-CD1 3.98Å; W663-L825 HydrophobicContact CE3-CB 3.95Å; W663-L825 HydrophobicContact CE3-CD1 4.25Å; W663-L825 HydrophobicContact CH2-CB 4.28Å; W663-L825 HydrophobicContact CH2-CD1 4.21Å; W663-L825 HydrophobicContact CZ2-CD1 3.96Å; W663-L825 HydrophobicContact CZ3-CB 3.82Å; W663-L825 HydrophobicContact CZ3-CD1 4.36Å; L825-R828 HydrophobicContact CD1-CB 4.5Å; L825-R828 HydrophobicContact CD2-CB 4.4Å
826	L	97	Very high	80.8	Confident	42 Å²	42	83.4 Å²	83.4	22%	0.22	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	-46.6	-179.9	172.5	60.9	0	0	0	112.2	V662 W664 K739 E824	V662-L826 HydrophobicContact CG1-CD2 4.35Å; V662-L826 PolarHBondContact O-N 3.38Å; W664-L826 HydrophobicContact CB-CB 3.96Å; W664-L826 HydrophobicContact CB-CD2 4.39Å; W664-L826 HydrophobicContact CE3-CD2 3.87Å; K739-L826 HydrophobicContact CB-CD1 3.91Å; K739-L826 HydrophobicContact CB-CD2 4.31Å; K739-L826 HydrophobicContact CD-CD1 4.05Å; K739-L826 HydrophobicContact CG-CD1 3.93Å; K739-L826 HydrophobicContact CG-CD2 4.32Å; E824-L826 PolarHBondContact O-N 3.45Å
827	Y	96.2	Very high	78.4	Confident	62 Å²	62	78.2 Å²	78.2	24%	0.243	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	143.1	-175.9	-173.3	-104	0	0	0	112.3	L660 T661 V662 L743 L747 Q829	L660-Y827 HydrophobicContact CD2-CD1 4.28Å; L660-Y827 HydrophobicContact CD2-CE1 4.25Å; L660-Y827 HydrophobicContact CG-CD1 4.23Å; L660-Y827 HydrophobicContact CG-CE1 4.44Å; T661-Y827 WeakPolarHBondContact CA-O 3.49Å; V662-Y827 PolarHBondContact N-O 2.69Å; V662-Y827 PolarHBondContact O-N 3.01Å; V662-Y827 VanDerWaalsContact O-N 3.11Å; L743-Y827 HydrophobicContact CD1-CD1 3.6Å; L743-Y827 HydrophobicContact CD1-CD2 3.86Å; L743-Y827 HydrophobicContact CD1-CE1 4.13Å; L743-Y827 HydrophobicContact CD1-CE2 4.37Å; L743-Y827 HydrophobicContact CD1-CG 3.43Å; L743-Y827 VanDerWaalsContact CD1-CG 3.43Å; L743-Y827 HydrophobicContact CD2-CD2 3.88Å; L743-Y827 HydrophobicContact CD2-CE2 4.43Å; L743-Y827 HydrophobicContact CD2-CG 4.21Å; L743-Y827 HydrophobicContact CG-CG 4.49Å; L747-Y827 HydrophobicContact CD2-CE1 4.04Å; Y827-Q829 HydrophobicContact CE1-CB 3.73Å; Y827-Q829 HydrophobicContact CE1-CG 4.33Å
828	R	94.4	Very high	76.1	Confident	146 Å²	146	79.9 Å²	79.9	55%	0.551	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.4	112.4	168.6	-171.3	174.9	-170.7	-164.6	1	109.7	P659 L660 T661 L825	P659-R828 HydrophobicContact CG-CG 4.42Å; L660-R828 WeakPolarHBondContact O-CA 3.33Å; T661-R828 HydrophobicContact CG2-CG 4.2Å; L825-R828 HydrophobicContact CD1-CB 4.5Å; L825-R828 HydrophobicContact CD2-CB 4.4Å
829	Q	88.9	Confident	73.6	Confident	50 Å²	50	81.8 Å²	81.8	23%	0.234	42%	0.415	C	S	.	.			trans	-64.3	142.2	-178	-162	169.1	-8.9	0	0	111.4	P659 L660 Q750 Y827	P659-Q829 HydrophobicContact CB-CB 3.82Å; P659-Q829 WeakPolarHBondContact CB-O 3.41Å; L660-Q829 HydrophobicContact CB-CB 4.4Å; L660-Q829 PolarHBondContact O-N 2.65Å; Q750-Q829 VanDerWaalsContact OE1-OE1 3.07Å; Y827-Q829 HydrophobicContact CE1-CB 3.73Å; Y827-Q829 HydrophobicContact CE1-CG 4.33Å
830	P	81.6	Confident	71.1	Confident	83 Å²	83	80.1 Å²	80.1	54%	0.539	42%	0.42	S	S	.	.			trans	-57.8	142.3	169	-25.5	35.6	0	0	0	112.1	H832	P830-H832 PolarHBondContact O-CD2 3.49Å; P830-H832 PolarHBondContact O-N 3.12Å
831	F	64.7	Low	68.7	Low	147 Å²	147	86.6 Å²	86.6	65%	0.645	45%	0.45	S	S	*	.			trans	-73.4	90.5	174.4	-98.8	-75.8	0	0	0	110.6	P659	P659-F831 VanDerWaalsContact CD-CE2 3.44Å; P659-F831 HydrophobicContact CG-CD2 4.05Å; P659-F831 HydrophobicContact CG-CE2 3.91Å; P659-F831 HydrophobicContact CG-CZ 4.24Å
832	H	55.8	Low	66.2	Low	106 Å²	106	92.1 Å²	92.1	49%	0.491	47%	0.47	S	S	.	.			trans	-77.6	122.3	159.6	-60.9	-92.6	0	0	0	108	P830 P834	P830-H832 PolarHBondContact O-CD2 3.49Å; P830-H832 PolarHBondContact O-N 3.12Å; H832-P834 WeakPolarHBondContact O-CD 3.23Å
833	N	44.4	Very low	63.8	Low	96 Å²	96	96.3 Å²	96.3	51%	0.513	50%	0.498	S	S	.	.			trans	-70.3	111.7	-173.8	-178.4	-3.8	0	0	0	110.7	S835 T836	N833-S835 PolarHBondContact O-N 3.37Å; N833-S835 WeakPolarHBondContact OD1-CB 3.46Å; N833-S835 PolarHBondContact OD1-N 2.92Å; N833-S835 PolarHBondContact OD1-OG 2.96Å; N833-T836 PolarHBondContact O-N 3.21Å; N833-T836 PolarHBondContact O-OG1 3.3Å; N833-T836 VanDerWaalsContact O-OG1 3.06Å
834	P	43.7	Very low	61.5	Low	80 Å²	80	103 Å²	103	52%	0.519	52%	0.524	S	S	.	.	H	α-helix	trans	-63.8	-14.3	-174	-22.5	35.3	0	0	0	114	H832 T836 M837 Y838	H832-P834 WeakPolarHBondContact O-CD 3.23Å; P834-T836 PolarHBondContact O-N 3.39Å; P834-M837 PolarHBondContact O-N 2.91Å; P834-Y838 PolarHBondContact O-N 3.3Å
835	S	41.8	Very low	59.1	Low	91 Å²	91	107 Å²	107	64%	0.636	55%	0.551	S	S	*	*	H	α-helix	trans	-58.9	-25.8	176.3	-50	0	0	0	0	113.7	N833	N833-S835 PolarHBondContact O-N 3.37Å; N833-S835 WeakPolarHBondContact OD1-CB 3.46Å; N833-S835 PolarHBondContact OD1-N 2.92Å; N833-S835 PolarHBondContact OD1-OG 2.96Å
836	T	39.1	Very low	57.2	Low	90 Å²	90	107 Å²	107	55%	0.552	55%	0.551	S	S	*	*	H	α-helix	trans	-91	-23.9	176.4	53.4	0	0	0	0	113.5	N833 P834 T839	N833-T836 PolarHBondContact O-N 3.21Å; N833-T836 PolarHBondContact O-OG1 3.3Å; N833-T836 VanDerWaalsContact O-OG1 3.06Å; P834-T836 PolarHBondContact O-N 3.39Å; T836-T839 PolarHBondContact O-OG1 2.86Å; T836-T839 VanDerWaalsContact O-OG1 3.08Å
837	M	39	Very low	55	Low	105 Å²	105	108.2 Å²	108.2	52%	0.517	57%	0.574	S	S	.	*	H	α-helix	trans	-78.6	-33.7	-177.5	-60.4	-177.4	81.6	0	0	112.4	P834 T839	P834-M837 PolarHBondContact O-N 2.91Å; M837-T839 VanDerWaalsContact C-N 3.29Å; M837-T839 PolarHBondContact O-N 2.72Å
838	Y	42.9	Very low	53.2	Low	180 Å²	180	107.5 Å²	107.5	71%	0.706	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	10.9	-174.2	-98.7	-81.5	0	0	0	116	P834	P834-Y838 PolarHBondContact O-N 3.3Å
839	T	38.5	Very low	52	Low	61 Å²	61	109.9 Å²	109.9	37%	0.374	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.3	-21.2	167.4	45.3	0	0	0	0	112.9	T836 M837 M841 E842 K1297	T836-T839 PolarHBondContact O-OG1 2.86Å; T836-T839 VanDerWaalsContact O-OG1 3.08Å; M837-T839 VanDerWaalsContact C-N 3.29Å; M837-T839 PolarHBondContact O-N 2.72Å; T839-M841 PolarHBondContact O-N 2.91Å; T839-E842 PolarHBondContact OG1-OE2 3.14Å; T839-K1297 WeakPolarHBondContact O-CE 3.41Å; T839-K1297 PolarHBondContact O-NZ 3.1Å
840	G	43.2	Very low	50.7	Low	59 Å²	59	114 Å²	114	61%	0.608	61%	0.614	S	S	*	*			trans	50.1	52.3	168.2	0	0	0	0	0	113.7	K1297	G840-K1297 PolarHBondContact O-NZ 3.24Å; G840-K1297 VanDerWaalsContact O-NZ 3.08Å
841	M	45.3	Very low	49.7	Very low	161 Å²	161	114.4 Å²	114.4	79%	0.793	62%	0.619	S	S	*	*	S	Bend	trans	-162.3	-9.5	178.6	-110.9	169.9	68.5	0	0	113.7	T839 K1297	T839-M841 PolarHBondContact O-N 2.91Å; M841-K1297 PolarHBondContact SD-NZ 3.48Å
842	E	44.6	Very low	49	Very low	141 Å²	141	116.5 Å²	116.5	66%	0.659	63%	0.628	S	S	*	*			trans	-116.4	102.7	-176.8	-72.9	156.6	164.4	0	0	108.9	T839 Y844	T839-E842 PolarHBondContact OG1-OE2 3.14Å; E842-Y844 PolarHBondContact O-N 2.99Å
843	L	46	Very low	48.7	Very low	178 Å²	178	116.3 Å²	116.3	93%	0.932	64%	0.637	S	S	*	*			trans	-75.3	114.1	162.8	-78.3	166.8	0	0	0	107.5
844	Y	50.3	Low	48.7	Very low	146 Å²	146	120.4 Å²	120.4	57%	0.573	65%	0.653	S	S	*	*			trans	-92.5	121.7	167.8	55.9	-92.3	0	0	0	109.3	E842 I846	E842-Y844 PolarHBondContact O-N 2.99Å; Y844-I846 HydrophobicContact CD2-CD1 3.63Å; Y844-I846 HydrophobicContact CD2-CG1 4.27Å; Y844-I846 HydrophobicContact CE2-CD1 3.87Å
845	V	47.7	Very low	48.6	Very low	137 Å²	137	121.6 Å²	121.6	83%	0.83	65%	0.654	S	S	*	*			trans	-96	122.1	165.8	177.5	0	0	0	0	106.6
846	I	55.8	Low	48.5	Very low	85 Å²	85	122.3 Å²	122.3	44%	0.436	65%	0.647	S	S	.	*			trans	-100.2	112.9	165.6	-37.4	97.9	0	0	0	109.2	Y844 E903	Y844-I846 HydrophobicContact CD2-CD1 3.63Å; Y844-I846 HydrophobicContact CD2-CG1 4.27Å; Y844-I846 HydrophobicContact CE2-CD1 3.87Å; I846-E903 HydrophobicContact CB-CG 4.13Å; I846-E903 HydrophobicContact CG1-CG 4.44Å; I846-E903 HydrophobicContact CG2-CG 3.82Å
847	G	51.9	Low	48.4	Very low	68 Å²	68	125.6 Å²	125.6	70%	0.701	66%	0.661	S	S	*	*			trans	-97.9	123.8	171.6	0	0	0	0	0	111.1
848	S	57.3	Low	48.4	Very low	47 Å²	47	122.5 Å²	122.5	33%	0.329	65%	0.649	S	S	.	*			trans	-81.3	132.7	163.7	53.6	0	0	0	0	110	I850 H902	S848-I850 PolarHBondContact O-N 2.92Å; S848-H902 WeakPolarHBondContact CB-O 3.36Å
849	K	69.2	Low	48.4	Very low	197 Å²	197	118 Å²	118	86%	0.857	64%	0.64	S	S	*	*			trans	-66.9	102.6	171.8	-179.4	179.9	178.7	177.7	0	109.4	S851	K849-S851 PolarHBondContact O-N 3.03Å; K849-S851 VanDerWaalsContact O-N 3.12Å
850	I	61	Low	48.6	Very low	135 Å²	135	119.4 Å²	119.4	69%	0.692	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-58.3	116.1	163.8	-57.3	176.3	0	0	0	106.8	S848 K852	S848-I850 PolarHBondContact O-N 2.92Å; I850-K852 PolarHBondContact O-N 3.42Å
851	S	61.9	Low	48.4	Very low	92 Å²	92	118.4 Å²	118.4	64%	0.643	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-64.4	128.5	169.4	43.2	0	0	0	0	108.6	K849 P853	K849-S851 PolarHBondContact O-N 3.03Å; K849-S851 VanDerWaalsContact O-N 3.12Å; S851-P853 VanDerWaalsContact O-N 3.14Å
852	K	50	Low	48	Very low	191 Å²	191	120.4 Å²	120.4	83%	0.83	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-49.5	123.7	166.5	-158	-178	-170.7	-172.3	0	106.6	I850 Q854	I850-K852 PolarHBondContact O-N 3.42Å; K852-Q854 PolarHBondContact O-N 3.43Å
853	P	48.9	Very low	47.7	Very low	103 Å²	103	117.5 Å²	117.5	67%	0.669	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-57.4	121	-176.1	22.2	-32.5	0	0	0	107.8	S851 L855	S851-P853 VanDerWaalsContact O-N 3.14Å; P853-L855 PolarHBondContact O-N 3.04Å
854	Q	44	Very low	47.3	Very low	182 Å²	182	113.7 Å²	113.7	85%	0.85	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-70.6	125.3	169.5	-70.4	-167.1	-10.3	0	0	106.6	K852 E856	K852-Q854 PolarHBondContact O-N 3.43Å; Q854-E856 VanDerWaalsContact C-N 3.26Å; Q854-E856 PolarHBondContact O-N 2.74Å
855	L	41.8	Very low	46.7	Very low	105 Å²	105	110.2 Å²	110.2	55%	0.55	59%	0.589	S	S	.	*			trans	-62.7	96.4	162.3	-87.1	57.7	0	0	0	106.3	P853 N857 L861	P853-L855 PolarHBondContact O-N 3.04Å; L855-N857 PolarHBondContact O-N 3Å; L855-L861 HydrophobicContact CD2-CD1 3.6Å; L855-L861 HydrophobicContact CG-CD1 4.34Å
856	E	39.2	Very low	46.2	Very low	106 Å²	106	109.9 Å²	109.9	50%	0.495	58%	0.577	S	S	.	*			trans	-57.5	105.2	164.7	-77.8	-167.5	165.1	0	0	106.8	Q854 T858 N893	Q854-E856 VanDerWaalsContact C-N 3.26Å; Q854-E856 PolarHBondContact O-N 2.74Å; E856-T858 VanDerWaalsContact C-N 3.32Å; E856-T858 VanDerWaalsContact O-CA 3.31Å; E856-T858 WeakPolarHBondContact O-CA 3.48Å; E856-T858 PolarHBondContact O-N 2.78Å; E856-T858 PolarHBondContact O-OG1 3.1Å; E856-N893 PolarHBondContact OE1-ND2 3.02Å; E856-N893 WeakPolarHBondContact OE2-CB 3.32Å
857	N	38.5	Very low	45.2	Very low	158 Å²	158	108.8 Å²	108.8	85%	0.845	58%	0.58	S	S	*	*			trans	-40.5	89.1	-165.3	-84.7	-62.6	0	0	0	113.1	L855	L855-N857 PolarHBondContact O-N 3Å
858	T	38.4	Very low	44.5	Very low	41 Å²	41	107.7 Å²	107.7	25%	0.252	56%	0.56	S	S	.	*			trans	-83.8	130.1	-163.5	-25.1	0	0	0	0	107.9	E856 V860 L861 M894	E856-T858 VanDerWaalsContact C-N 3.32Å; E856-T858 VanDerWaalsContact O-CA 3.31Å; E856-T858 WeakPolarHBondContact O-CA 3.48Å; E856-T858 PolarHBondContact O-N 2.78Å; E856-T858 PolarHBondContact O-OG1 3.1Å; T858-V860 HydrophobicContact CG2-CB 4.03Å; T858-V860 HydrophobicContact CG2-CG2 3.87Å; T858-V860 PolarHBondContact O-N 3.4Å; T858-L861 PolarHBondContact O-N 3.47Å; T858-M894 HydrophobicContact CG2-CE 4.14Å
859	T	42.8	Very low	43.4	Very low	86 Å²	86	111.9 Å²	111.9	53%	0.528	58%	0.578	S	S	.	*	H	α-helix	trans	-53.4	-29.4	174.9	-47.7	0	0	0	0	111.1	L861 R862 C863	T859-L861 PolarHBondContact O-N 2.87Å; T859-R862 CarbonylContact O-C 3.39Å; T859-R862 WeakPolarHBondContact O-CA 3.43Å; T859-R862 PolarHBondContact O-N 3.25Å; T859-R862 VanDerWaalsContact O-N 3.11Å; T859-C863 PolarHBondContact O-N 3.24Å; T859-C863 PolarHBondContact O-SG 3.08Å; T859-C863 VanDerWaalsContact O-SG 3.36Å
860	V	43.3	Very low	41.6	Very low	89 Å²	89	107.9 Å²	107.9	54%	0.539	57%	0.566	S	S	.	*	H	α-helix	trans	-52.8	-43.5	171.6	-177.4	0	0	0	0	113.7	T858 R862 C863 F864	T858-V860 HydrophobicContact CG2-CB 4.03Å; T858-V860 HydrophobicContact CG2-CG2 3.87Å; T858-V860 PolarHBondContact O-N 3.4Å; V860-R862 VanDerWaalsContact C-N 3.34Å; V860-R862 PolarHBondContact O-N 2.92Å; V860-C863 CarbonylContact O-C 3.5Å; V860-C863 WeakPolarHBondContact O-CA 3.48Å; V860-C863 WeakPolarHBondContact O-CB 3.37Å; V860-C863 PolarHBondContact O-N 3.41Å; V860-C863 VanDerWaalsContact O-N 3.08Å; V860-F864 HydrophobicContact CG1-CD2 4.37Å; V860-F864 PolarHBondContact O-N 2.7Å
861	L	38.8	Very low	40.1	Very low	38 Å²	38	110.3 Å²	110.3	20%	0.199	57%	0.572	C	S	.	*	H	α-helix	trans	-71.8	-29	178	-85.6	164.5	0	0	0	112.4	L855 T858 T859 C863 N865 L1237 D1238	L855-L861 HydrophobicContact CD2-CD1 3.6Å; L855-L861 HydrophobicContact CG-CD1 4.34Å; T858-L861 PolarHBondContact O-N 3.47Å; T859-L861 PolarHBondContact O-N 2.87Å; L861-C863 VanDerWaalsContact C-N 3.26Å; L861-N865 WeakPolarHBondContact O-CB 3.49Å; L861-N865 PolarHBondContact O-N 3.46Å; L861-L1237 HydrophobicContact CD2-CD2 3.52Å; L861-D1238 HydrophobicContact CD2-CB 4.31Å
862	R	37.5	Very low	38.6	Very low	204 Å²	204	113.2 Å²	113.2	77%	0.77	58%	0.58	S	S	*	*	H	α-helix	trans	-77.6	-10.7	170	-158.9	179	-70.4	171.6	-3.1	112.7	T859 V860 K866	T859-R862 CarbonylContact O-C 3.39Å; T859-R862 WeakPolarHBondContact O-CA 3.43Å; T859-R862 PolarHBondContact O-N 3.25Å; T859-R862 VanDerWaalsContact O-N 3.11Å; V860-R862 VanDerWaalsContact C-N 3.34Å; V860-R862 PolarHBondContact O-N 2.92Å; R862-K866 WeakPolarHBondContact O-CB 3.44Å
863	C	38	Very low	37.6	Very low	79 Å²	79	107.5 Å²	107.5	53%	0.534	58%	0.575	S	S	.	*	H	α-helix	trans	-88.2	-42.4	166.4	-65.2	0	0	0	0	111.4	T859 V860 L861 K866 A867	T859-C863 PolarHBondContact O-N 3.24Å; T859-C863 PolarHBondContact O-SG 3.08Å; T859-C863 VanDerWaalsContact O-SG 3.36Å; V860-C863 CarbonylContact O-C 3.5Å; V860-C863 WeakPolarHBondContact O-CA 3.48Å; V860-C863 WeakPolarHBondContact O-CB 3.37Å; V860-C863 PolarHBondContact O-N 3.41Å; V860-C863 VanDerWaalsContact O-N 3.08Å; L861-C863 VanDerWaalsContact C-N 3.26Å; C863-K866 PolarHBondContact O-N 2.86Å; C863-A867 PolarHBondContact O-N 3.18Å
864	F	37.4	Very low	36.7	Very low	99 Å²	99	112.1 Å²	112.1	43%	0.434	59%	0.588	S	S	.	*	H	α-helix	trans	-60.3	-56.6	174.2	-104.3	-94.3	0	0	0	111.5	V860 K866 A867 T868 Q1236	V860-F864 HydrophobicContact CG1-CD2 4.37Å; V860-F864 PolarHBondContact O-N 2.7Å; F864-K866 PolarHBondContact O-N 3.29Å; F864-A867 WeakPolarHBondContact O-CB 3.4Å; F864-A867 PolarHBondContact O-N 3.25Å; F864-T868 PolarHBondContact O-N 3.42Å; F864-T868 VanDerWaalsContact O-N 3.15Å; F864-T868 PolarHBondContact O-OG1 2.69Å; F864-Q1236 HydrophobicContact CD1-CB 4.25Å; F864-Q1236 HydrophobicContact CE1-CB 4.48Å
865	N	37.7	Very low	35.9	Very low	72 Å²	72	108.6 Å²	108.6	39%	0.385	58%	0.583	S	S	.	*	H	α-helix	trans	-67.1	-3.4	179.3	-67.6	7.3	0	0	0	113.9	L861 L1237	L861-N865 WeakPolarHBondContact O-CB 3.49Å; L861-N865 PolarHBondContact O-N 3.46Å; N865-L1237 WeakPolarHBondContact OD1-CD2 3.33Å
866	K	36.7	Very low	35.2	Very low	131 Å²	131	111.7 Å²	111.7	57%	0.57	60%	0.6	S	S	*	*	H	α-helix	trans	-100.6	-25	169.9	-163.7	169.8	-170.1	-172.2	0	112.9	R862 C863 F864 T868 D870	R862-K866 WeakPolarHBondContact O-CB 3.44Å; C863-K866 PolarHBondContact O-N 2.86Å; F864-K866 PolarHBondContact O-N 3.29Å; K866-T868 VanDerWaalsContact C-N 3.33Å; K866-D870 WeakPolarHBondContact CE-OD2 3.48Å
867	A	34.4	Very low	34.9	Very low	61 Å²	61	112.2 Å²	112.2	50%	0.504	61%	0.612	S	S	.	*	H	α-helix	trans	-71.7	-26.9	167.9	0	0	0	0	0	112.7	C863 F864	C863-A867 PolarHBondContact O-N 3.18Å; F864-A867 WeakPolarHBondContact O-CB 3.4Å; F864-A867 PolarHBondContact O-N 3.25Å
868	T	37	Very low	34.5	Very low	45 Å²	45	111.5 Å²	111.5	28%	0.276	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.1	-23.1	-179.3	-36.1	0	0	0	0	114	F864 K866 Q1236	F864-T868 PolarHBondContact O-N 3.42Å; F864-T868 VanDerWaalsContact O-N 3.15Å; F864-T868 PolarHBondContact O-OG1 2.69Å; K866-T868 VanDerWaalsContact C-N 3.33Å; T868-Q1236 PolarHBondContact OG1-OE1 3.08Å
869	L	34.2	Very low	34.2	Very low	136 Å²	136	114.8 Å²	114.8	71%	0.712	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	-17.2	-170.5	-79.2	171.6	0	0	0	115.5	F871	L869-F871 PolarHBondContact O-N 2.93Å
870	D	31.4	Very low	33.6	Very low	112 Å²	112	118.5 Å²	118.5	60%	0.599	64%	0.641	S	S	*	*			trans	-82.9	19.1	175	-68.6	-19.3	0	0	0	112.4	K866 N872	K866-D870 WeakPolarHBondContact CE-OD2 3.48Å; D870-N872 PolarHBondContact O-N 3Å
871	F	30	Very low	32.9	Very low	187 Å²	187	119.5 Å²	119.5	82%	0.82	65%	0.648	S	S	*	*			trans	-82.8	26.4	173.8	-120.6	-74.8	0	0	0	113.6	L869	L869-F871 PolarHBondContact O-N 2.93Å
872	N	31	Very low	32.2	Very low	152 Å²	152	126.8 Å²	126.8	81%	0.813	68%	0.678	S	S	*	*	S	Bend	trans	-135.6	123	164.2	-90.3	-57.5	0	0	0	107.9	D870	D870-N872 PolarHBondContact O-N 3Å
873	G	27.9	Very low	31.9	Very low	71 Å²	71	124.2 Å²	124.2	73%	0.732	68%	0.684	S	S	*	*			trans	-83.2	138.2	-161.9	0	0	0	0	0	114.8
874	Q	31.4	Very low	31.3	Very low	201 Å²	201	128.6 Å²	128.6	94%	0.939	70%	0.699	S	S	*	*				-159.8	146.4	127.4	-105.5	162	37.9	0	0	111
875	S	27.2	Very low	30.7	Very low	108 Å²	108	129 Å²	129	76%	0.755	71%	0.714	S	S	*	*			trans	-95.4	151.8	-175.8	55.6	0	0	0	0	112.6
876	L	27.5	Very low	30.1	Very low	170 Å²	170	131.6 Å²	131.6	89%	0.89	73%	0.733	S	S	*	*			trans	-174.7	163.5	140.3	-92.5	150.9	0	0	0	108.7
877	P	31	Very low	29.8	Very low	117 Å²	117	131.1 Å²	131.1	76%	0.76	74%	0.735	S	S	*	*			trans	-122.5	173.9	-146.9	34.1	-16.2	0	0	0	117.8
878	N	30.3	Very low	29.4	Very low	142 Å²	142	130.6 Å²	130.6	76%	0.759	74%	0.736	S	S	*	*			trans	-52.2	162.3	168.1	-113.8	9.6	0	0	0	113.7
879	P	33.7	Very low	28.8	Very low	110 Å²	110	138.9 Å²	138.9	71%	0.714	76%	0.762	S	S	*	*			cis	-149.3	175.4	47.9	42.2	-21.5	0	0	0	119.9
880	E	28.2	Very low	28.5	Very low	164 Å²	164	136.3 Å²	136.3	77%	0.766	75%	0.749	S	S	*	*			trans	4.5	154.1	141	-47.6	179.6	-169.2	0	0	120
881	V	28.9	Very low	28.4	Very low	110 Å²	110	139.6 Å²	139.6	67%	0.667	76%	0.758	S	S	*	*			cis	-164	164.1	23	86.4	0	0	0	0	113.8
882	K	25.7	Very low	28.3	Very low	192 Å²	192	140.2 Å²	140.2	84%	0.835	76%	0.76	S	S	*	*			trans	57.1	128.6	162.1	-72.3	171.5	-176	171.3	0	120.9
883	V	29.4	Very low	28.2	Very low	150 Å²	150	138.6 Å²	138.6	91%	0.909	75%	0.752	S	S	*	*				-159.8	161.9	109.6	144.5	0	0	0	0	108
884	M	25.3	Very low	28.2	Very low	171 Å²	171	141.2 Å²	141.2	84%	0.842	75%	0.746	S	S	*	*			trans	-91.2	155.8	-167.6	-58.3	-172.4	-170.2	0	0	116
885	S	25.3	Very low	28.1	Very low	106 Å²	106	136 Å²	136	74%	0.741	73%	0.732	S	S	*	*			trans	75.2	149.1	137.9	77.1	0	0	0	0	122.6
886	T	26	Very low	28.2	Very low	127 Å²	127	135.3 Å²	135.3	78%	0.779	73%	0.725	S	S	*	*			trans	83.6	142.9	167.9	-35.8	0	0	0	0	115.8
887	I	29.5	Very low	28.1	Very low	121 Å²	121	130.1 Å²	130.1	62%	0.621	70%	0.698	S	S	*	*			trans	72.7	121.2	-171.5	-47.6	159.4	0	0	0	112.9	H1100	I887-H1100 WeakPolarHBondContact CD1-CE1 3.4Å
888	G	25.8	Very low	27.9	Very low	51 Å²	51	130.2 Å²	130.2	53%	0.526	70%	0.696	S	S	.	*			cis	136.2	104.5	-13.2	0	0	0	0	0	113.9
889	R	25.4	Very low	27.8	Very low	219 Å²	219	127.6 Å²	127.6	83%	0.826	68%	0.681	S	S	*	*			trans	81.8	156.2	170.2	-52.6	177.6	177.8	138.1	2	116.5
890	D	27.5	Very low	27.5	Very low	81 Å²	81	126 Å²	126	43%	0.433	67%	0.666	S	S	.	*			trans	78.4	90.3	158.6	-50.8	-26.9	0	0	0	120.3	H1096	D890-H1096 IonicContact OD1-CE1 2.76Å; D890-H1096 PolarHBondContact OD1-CE1 2.79Å; D890-H1096 IonicContact OD1-CG 3.25Å; D890-H1096 IonicContact OD1-ND1 3.48Å; D890-H1096 PolarHBondContact OD1-ND1 3.39Å; D890-H1096 IonicContact OD2-CE1 3.91Å; D890-H1096 IonicContact OD2-CG 2.91Å; D890-H1096 IonicContact OD2-ND1 2.86Å; D890-H1096 PolarHBondContact OD2-ND1 2.69Å
891	K	28.9	Very low	27.4	Very low	182 Å²	182	124.4 Å²	124.4	79%	0.791	67%	0.668	S	S	*	*			trans	-164.9	91.3	133.6	-105.2	157.9	-174.8	178.8	0	112.1
892	K	28.3	Very low	27.5	Very low	199 Å²	199	125.6 Å²	125.6	87%	0.865	67%	0.666	S	S	*	*			trans	-117.4	102.5	155.6	-84.2	-166.7	174	-169.4	0	107.4
893	N	28.8	Very low	27.7	Very low	118 Å²	118	121 Å²	121	63%	0.631	65%	0.647	S	S	*	*			trans	178.7	121.9	159.1	-97.4	-9.2	0	0	0	110.4	E856	E856-N893 PolarHBondContact OE1-ND2 3.02Å; E856-N893 WeakPolarHBondContact OE2-CB 3.32Å
894	M	28.3	Very low	27.7	Very low	126 Å²	126	123.6 Å²	123.6	62%	0.621	64%	0.641	S	S	*	*			trans	179.8	132.9	138.4	-101.9	-167.3	176.7	0	0	108.6	T858	T858-M894 HydrophobicContact CG2-CE 4.14Å
895	S	28.4	Very low	28	Very low	92 Å²	92	124.5 Å²	124.5	64%	0.643	64%	0.643	S	S	*	*			trans	-142.6	144.1	-177.2	59.5	0	0	0	0	111.8	I897	S895-I897 PolarHBondContact O-N 3.15Å
896	P	29.3	Very low	28.2	Very low	94 Å²	94	126 Å²	126	61%	0.61	65%	0.648	S	S	*	*			trans	-100.3	66.3	-173.5	38.8	-36	0	0	0	114.6	K1244	P896-K1244 PolarHBondContact O-NZ 2.75Å
897	I	26.6	Very low	28.2	Very low	60 Å²	60	130 Å²	130	31%	0.308	65%	0.654	S	S	.	*			trans	51.7	111.5	151.4	-49.3	170.5	0	0	0	118.2	S895 Y1241 K1244	S895-I897 PolarHBondContact O-N 3.15Å; I897-Y1241 HydrophobicContact CD1-CD1 4.46Å; I897-Y1241 HydrophobicContact CD1-CE1 4.22Å; I897-K1244 HydrophobicContact CB-CB 4.34Å; I897-K1244 HydrophobicContact CD1-CB 4.33Å; I897-K1244 HydrophobicContact CG2-CB 4.46Å; I897-K1244 WeakPolarHBondContact CG2-O 3.31Å
898	V	26.6	Very low	28.3	Very low	119 Å²	119	130.1 Å²	130.1	72%	0.721	67%	0.665	S	S	*	*			trans	-132.9	148.7	143.1	-170.6	0	0	0	0	107.5	Y1087	V898-Y1087 WeakPolarHBondContact CG1-OH 3.2Å
899	L	27.2	Very low	28.5	Very low	87 Å²	87	136.5 Å²	136.5	46%	0.455	68%	0.682	S	S	.	*			trans	-73.1	148.6	-170.1	-91.2	74.9	0	0	0	113.9	Y1087	L899-Y1087 PolarHBondContact O-OH 2.94Å
900	L	27.6	Very low	28.8	Very low	76 Å²	76	133.4 Å²	133.4	40%	0.398	69%	0.687	S	S	.	*			trans	-116.2	119.6	174.3	-126.9	-175.5	0	0	0	110	H902 N1089	L900-H902 HydrophobicContact CD2-CB 4.3Å; L900-N1089 HydrophobicContact CD1-CB 3.94Å; L900-N1089 VanDerWaalsContact CD1-OD1 3.28Å; L900-N1089 WeakPolarHBondContact CD1-OD1 3.28Å; L900-N1089 HydrophobicContact CD2-CB 3.94Å; L900-N1089 HydrophobicContact CG-CB 4Å
901	V	27.1	Very low	28.8	Very low	132 Å²	132	139.3 Å²	139.3	80%	0.8	70%	0.704	S	S	*	*			trans	-90.9	112.7	161.6	177.7	0	0	0	0	107.2
902	H	31.3	Very low	28.8	Very low	134 Å²	134	140.4 Å²	140.4	62%	0.62	71%	0.708	S	S	*	*			trans	-142.1	118.3	172.6	-153.2	-56.8	0	0	0	110.4	S848 L900	S848-H902 WeakPolarHBondContact CB-O 3.36Å; L900-H902 HydrophobicContact CD2-CB 4.3Å
903	E	29.7	Very low	28.7	Very low	95 Å²	95	137.3 Å²	137.3	44%	0.444	70%	0.697	S	S	.	*			trans	-63.7	146.3	176.1	-68.5	-168	61.4	0	0	111.6	I846	I846-E903 HydrophobicContact CB-CG 4.13Å; I846-E903 HydrophobicContact CG1-CG 4.44Å; I846-E903 HydrophobicContact CG2-CG 3.82Å
904	R	27.8	Very low	28.7	Very low	206 Å²	206	139.3 Å²	139.3	78%	0.777	71%	0.706	S	S	*	*			trans	-128.2	122	166.9	-78.3	-176.7	170.9	-179.9	-2.1	108.8
905	Q	32.1	Very low	28.6	Very low	190 Å²	190	142.6 Å²	142.6	89%	0.888	72%	0.717	S	S	*	*			trans	-95.3	139.9	156.1	-72.1	-166.3	-7.1	0	0	109.9
906	T	29.3	Very low	28.7	Very low	137 Å²	137	143.2 Å²	143.2	84%	0.84	72%	0.719	S	S	*	*			trans	-89.7	147.7	-171.4	43.9	0	0	0	0	112.2
907	K	26.1	Very low	28.9	Very low	212 Å²	212	144.5 Å²	144.5	92%	0.922	73%	0.73	S	S	*	*			trans	-111.8	130.7	164	-73.7	-176.3	176.3	179	0	109.5
908	S	32.3	Very low	29.1	Very low	122 Å²	122	148.7 Å²	148.7	85%	0.853	75%	0.753	S	S	*	*			trans	-104	157.8	159.5	50.9	0	0	0	0	109.6
909	Q	30.7	Very low	29.5	Very low	186 Å²	186	150 Å²	150	87%	0.869	76%	0.761	S	S	*	*			trans	-98.8	151.4	-173.2	-63.6	166.1	-32.1	0	0	111.8
910	T	30.6	Very low	29.7	Very low	153 Å²	153	148.5 Å²	148.5	94%	0.939	77%	0.767	S	S	*	*			trans	-158.4	162.8	135.9	1.5	0	0	0	0	110.4
911	R	27.5	Very low	29.9	Very low	206 Å²	206	151.9 Å²	151.9	78%	0.777	79%	0.785	S	S	*	*			trans	-134	135	-160.6	172.3	-173.7	173.1	-170.7	-2.1	110.9	E913	R911-E913 IonicContact CZ-OE1 3.65Å; R911-E913 IonicContact NE-OE1 2.88Å; R911-E913 PolarHBondContact NE-OE1 2.93Å; R911-E913 IonicContact NH2-OE1 2.94Å; R911-E913 PolarHBondContact NH2-OE1 3.47Å
912	K	29.4	Very low	30.1	Very low	205 Å²	205	153.1 Å²	153.1	89%	0.891	78%	0.783	S	S	*	*			trans	-165.4	164.2	148.8	-109.5	162.5	-173.1	-178.2	0	111.4
913	E	25.8	Very low	30	Very low	133 Å²	133	154.4 Å²	154.4	62%	0.621	78%	0.783	S	S	*	*			trans	-111.4	165.6	-158.6	-64.2	131.6	171.3	0	0	113.1	R911	R911-E913 IonicContact CZ-OE1 3.65Å; R911-E913 IonicContact NE-OE1 2.88Å; R911-E913 PolarHBondContact NE-OE1 2.93Å; R911-E913 IonicContact NH2-OE1 2.94Å; R911-E913 PolarHBondContact NH2-OE1 3.47Å
914	I	28.7	Very low	30.1	Very low	161 Å²	161	155.8 Å²	155.8	83%	0.826	79%	0.789	S	S	*	*				177.5	138.5	120.5	-89.1	157.1	0	0	0	112.2
915	K	26.5	Very low	30.3	Very low	194 Å²	194	155.5 Å²	155.5	84%	0.843	79%	0.788	S	S	*	*			trans	12	145.6	164.3	-59.8	179.4	179.1	-179	0	123.5
916	P	30.6	Very low	30.4	Very low	106 Å²	106	153.4 Å²	153.4	69%	0.688	79%	0.789	S	S	*	*			trans	-107	-176.8	170.9	43.1	-35	0	0	0	114.1
917	S	33	Very low	30.5	Very low	121 Å²	121	153 Å²	153	85%	0.846	79%	0.786	S	S	*	*			trans	-136	157.9	161	52.2	0	0	0	0	111
918	N	30.2	Very low	30.5	Very low	147 Å²	147	151 Å²	151	79%	0.786	78%	0.78	S	S	*	*			trans	-119.6	152	-166.3	-65.2	-7	0	0	0	114
919	T	35.9	Very low	30.3	Very low	147 Å²	147	153.4 Å²	153.4	90%	0.902	78%	0.782	S	S	*	*			trans	178.9	146.3	133.5	31.7	0	0	0	0	106.6
920	G	30.8	Very low	30.2	Very low	56 Å²	56	148.1 Å²	148.1	58%	0.577	77%	0.77	S	S	*	*			cis	114.8	127.7	7.8	0	0	0	0	0	110.2
921	D	33.2	Very low	29.9	Very low	146 Å²	146	151.6 Å²	151.6	78%	0.781	77%	0.772	S	S	*	*			cis	-154.8	154.4	3	-76.6	-50.3	0	0	0	111.9
922	E	30	Very low	30	Very low	159 Å²	159	145.7 Å²	145.7	74%	0.743	78%	0.775	S	S	*	*			trans	39	160.4	132	-54	-161	145.3	0	0	124.4
923	Y	30	Very low	29.9	Very low	161 Å²	161	142.3 Å²	142.3	63%	0.631	76%	0.764	S	S	*	*			cis	-155.3	135.1	-16.4	-125.6	-128.6	0	0	0	107.6
924	E	32.4	Very low	30	Very low	123 Å²	123	143.2 Å²	143.2	58%	0.575	77%	0.773	S	S	*	*				61.2	116.8	92.8	-155	-158.8	-107.4	0	0	118.1
925	R	30.4	Very low	29.9	Very low	200 Å²	200	139 Å²	139	76%	0.755	77%	0.77	S	S	*	*				161.3	129.5	118	-88.6	-178.6	-177.8	-173.8	0.8	116.7
926	T	35.8	Very low	29.9	Very low	146 Å²	146	138 Å²	138	90%	0.896	77%	0.772	S	S	*	*				-172.8	162	119.4	18	0	0	0	0	110.2
927	T	30.5	Very low	30	Very low	129 Å²	129	140.2 Å²	140.2	79%	0.791	78%	0.778	S	S	*	*			trans	-146.4	144.6	-160.4	52.6	0	0	0	0	113.7
928	E	27.1	Very low	29.8	Very low	169 Å²	169	140.1 Å²	140.1	79%	0.79	78%	0.775	S	S	*	*			trans	-166.9	168	134.6	-113.6	176.8	162.6	0	0	113
929	I	26.7	Very low	29.7	Very low	174 Å²	174	138.2 Å²	138.2	89%	0.892	77%	0.77	S	S	*	*			trans	63.4	62.5	178.4	-36.9	-174.7	0	0	0	116.6
930	A	28.2	Very low	29.2	Very low	74 Å²	74	139.1 Å²	139.1	61%	0.612	77%	0.766	S	S	*	*			trans	-145.7	109	148	0	0	0	0	0	110.2
931	K	25.8	Very low	28.8	Very low	226 Å²	226	145.2 Å²	145.2	98%	0.983	78%	0.777	S	S	*	*			trans	-121.8	96.5	172.2	-81.5	-176	176.5	174.9	0	109.4
932	G	29.3	Very low	28.8	Very low	82 Å²	82	145 Å²	145	85%	0.845	79%	0.785	S	S	*	*	S	Bend	trans	165.6	55.6	-174.6	0	0	0	0	0	110.5
933	M	27.6	Very low	28.5	Very low	134 Å²	134	141.1 Å²	141.1	66%	0.66	79%	0.788	S	S	*	*			trans	-118.3	151.8	-159.3	-74.8	174.1	63.5	0	0	114.6
934	N	26.9	Very low	28.3	Very low	152 Å²	152	142.4 Å²	142.4	81%	0.813	80%	0.796	S	S	*	*			trans	74.3	126.7	152.1	-63.4	-8.6	0	0	0	119.7
935	G	26.5	Very low	28.1	Very low	73 Å²	73	143.8 Å²	143.8	75%	0.753	80%	0.801	S	S	*	*			trans	-168.2	46.8	-178.7	0	0	0	0	0	115
936	L	27.7	Very low	28	Very low	172 Å²	172	139.2 Å²	139.2	90%	0.901	80%	0.797	S	S	*	*			trans	67.2	112.7	164.1	-63.4	163.7	0	0	0	119.9
937	L	32	Very low	27.6	Very low	153 Å²	153	137.6 Å²	137.6	80%	0.801	79%	0.787	S	S	*	*			trans	-69.5	159.7	144.9	-98.7	85.9	0	0	0	110.5
938	P	28.9	Very low	27.5	Very low	120 Å²	120	138 Å²	138	78%	0.779	78%	0.784	S	S	*	*				-138.1	177.8	110.5	31.4	-13.7	0	0	0	113.2
939	P	27.7	Very low	27.5	Very low	106 Å²	106	137.3 Å²	137.3	69%	0.688	79%	0.786	S	S	*	*			trans	-117.4	177.9	-141.2	38.4	-27.3	0	0	0	117.9
940	M	25.4	Very low	27.5	Very low	167 Å²	167	138.4 Å²	138.4	82%	0.823	79%	0.787	S	S	*	*			trans	9.8	131	159.2	-53.5	170.4	73.3	0	0	120.2
941	K	22.9	Very low	27.6	Very low	184 Å²	184	140.7 Å²	140.7	80%	0.8	80%	0.799	S	S	*	*				-179.5	157.7	99.5	-96.3	174.3	-175.3	179.4	0	113.1
942	C	32.8	Very low	27.6	Very low	141 Å²	141	135.6 Å²	135.6	95%	0.953	79%	0.787	S	S	*	*			trans	-83.6	153.8	177.5	-64.7	0	0	0	0	112.7
943	G	23.9	Very low	27.5	Very low	78 Å²	78	140.8 Å²	140.8	80%	0.804	79%	0.792	S	S	*	*			trans	-150.1	128.7	175.9	0	0	0	0	0	113.2
944	K	25.5	Very low	27.4	Very low	187 Å²	187	141.1 Å²	141.1	81%	0.813	80%	0.796	S	S	*	*			trans	-70.1	172.8	170.3	-57	172	173	178.1	0	110.1
945	F	28.5	Very low	27.5	Very low	153 Å²	153	142.2 Å²	142.2	67%	0.671	80%	0.8	S	S	*	*			cis	-159.2	-158	-2	-126.2	-32.8	0	0	0	106.4	T947	F945-T947 HydrophobicContact CE1-CG2 4.34Å
946	P	29.2	Very low	27.6	Very low	104 Å²	104	145.2 Å²	145.2	68%	0.675	80%	0.799	S	S	*	*			cis	-120.5	147.4	5.7	39.6	-24	0	0	0	116.5
947	T	26.5	Very low	27.6	Very low	111 Å²	111	143.1 Å²	143.1	68%	0.681	79%	0.787	S	S	*	*			trans	-88.8	129.3	143.1	46.8	0	0	0	0	108.2	F945	F945-T947 HydrophobicContact CE1-CG2 4.34Å
948	D	27.8	Very low	27.4	Very low	138 Å²	138	142 Å²	142	74%	0.738	78%	0.782	S	S	*	*			trans	-100.9	154.9	160.9	-85.5	-46.6	0	0	0	110.7
949	N	27.4	Very low	27.5	Very low	155 Å²	155	143.6 Å²	143.6	83%	0.829	78%	0.784	S	S	*	*			trans	62.8	79.8	174.2	-59.5	-35.5	0	0	0	116.9
950	Q	27.9	Very low	27.8	Very low	196 Å²	196	143.6 Å²	143.6	92%	0.916	78%	0.784	S	S	*	*				-151.6	138.7	107.9	-110.1	167.1	18.3	0	0	111.9
951	S	29.7	Very low	27.8	Very low	122 Å²	122	141 Å²	141	85%	0.853	78%	0.777	S	S	*	*			trans	-78.8	142.8	-176.4	40.6	0	0	0	0	112.3
952	T	24.9	Very low	28	Very low	120 Å²	120	140.8 Å²	140.8	74%	0.736	78%	0.777	S	S	*	*			trans	-73.7	142	178.4	49.8	0	0	0	0	113
953	M	28.3	Very low	27.7	Very low	190 Å²	190	141.7 Å²	141.7	94%	0.936	77%	0.766	S	S	*	*				-137.1	141.7	119.2	-78.8	-155.8	172.5	0	0	109.5
954	N	25.3	Very low	27.8	Very low	141 Å²	141	144 Å²	144	75%	0.754	76%	0.76	S	S	*	*			trans	-84.1	161.6	176.7	-60.2	-39.5	0	0	0	110.1
955	I	29.5	Very low	27.7	Very low	175 Å²	175	143 Å²	143	90%	0.897	76%	0.758	S	S	*	*				-160.7	146.3	114.7	-97.2	151.9	0	0	0	110.8
956	N	27.6	Very low	27.6	Very low	137 Å²	137	140.9 Å²	140.9	73%	0.733	76%	0.762	S	S	*	*			trans	-66.6	163.9	-165.2	-104.9	-4.2	0	0	0	118.9
957	I	28.1	Very low	27.4	Very low	127 Å²	127	141.5 Å²	141.5	65%	0.651	76%	0.763	S	S	*	*			trans	83.8	108.2	135.4	-73.4	166.2	0	0	0	120.8
958	D	28.2	Very low	27.4	Very low	131 Å²	131	144.2 Å²	144.2	70%	0.701	77%	0.766	S	S	*	*				60.4	139.8	127.8	-51	-13.1	0	0	0	126
959	N	29.9	Very low	27.3	Very low	153 Å²	153	145.3 Å²	145.3	82%	0.818	77%	0.766	S	S	*	*			trans	75.7	155.8	146.9	-84.4	-27.3	0	0	0	120.1
960	P	34.8	Very low	27.3	Very low	105 Å²	105	142.9 Å²	142.9	68%	0.682	76%	0.757	S	S	*	*			trans	-133	-165.3	-142.3	31.8	-7.3	0	0	0	114.7
961	V	25.2	Very low	27.3	Very low	112 Å²	112	143.3 Å²	143.3	68%	0.679	75%	0.751	S	S	*	*			trans	86.8	123.6	161.6	-177.5	0	0	0	0	117.2
962	K	26.2	Very low	27.1	Very low	181 Å²	181	146.4 Å²	146.4	79%	0.787	75%	0.749	S	S	*	*			trans	65.7	145.3	174.2	-59.4	154.4	-171.1	173.4	0	113.7
963	H	27.6	Very low	27.1	Very low	160 Å²	160	145.8 Å²	145.8	74%	0.741	75%	0.749	S	S	*	*			cis	-146.3	177.8	37.7	-119.7	-84.4	0	0	0	114.7
964	L	26.3	Very low	27.2	Very low	127 Å²	127	142.4 Å²	142.4	67%	0.665	74%	0.744	S	S	*	*			trans	-20.9	132.7	161.1	-62.5	166.6	0	0	0	114.9
965	Q	23.8	Very low	27.3	Very low	166 Å²	166	147 Å²	147	78%	0.776	75%	0.751	S	S	*	*				66.5	123.9	63.2	-171	-178.1	9.9	0	0	113.1
966	S	24.6	Very low	27.1	Very low	107 Å²	107	143.6 Å²	143.6	75%	0.748	74%	0.743	S	S	*	*			trans	120.6	127.2	161.2	77.7	0	0	0	0	117.6
967	V	25.8	Very low	27.1	Very low	117 Å²	117	147.4 Å²	147.4	71%	0.709	75%	0.753	S	S	*	*				79.3	118.1	129.4	168.4	0	0	0	0	121.3
968	K	27.3	Very low	26.9	Very low	168 Å²	168	146.4 Å²	146.4	73%	0.73	76%	0.757	S	S	*	*			trans	74.4	125.8	151.7	-72.7	171.7	-171.9	175.4	0	117.8
969	E	25.9	Very low	26.9	Very low	161 Å²	161	145.9 Å²	145.9	75%	0.752	76%	0.762	S	S	*	*				65	123.9	69.6	-68.5	-176.2	148.1	0	0	111.5
970	T	26.7	Very low	26.6	Very low	104 Å²	104	145.9 Å²	145.9	64%	0.638	76%	0.755	S	S	*	*			cis	-166.1	164.1	30.9	19.2	0	0	0	0	113.4
971	R	26.7	Very low	26.3	Very low	206 Å²	206	151.2 Å²	151.2	78%	0.777	76%	0.763	S	S	*	*			trans	67.2	126	145.8	-70.3	161.2	-172.2	-168.9	2.6	118
972	K	26.1	Very low	26.2	Very low	187 Å²	187	151.3 Å²	151.3	81%	0.813	76%	0.756	S	S	*	*				67.5	145.2	99.6	-64.1	-178.1	179.4	-176.8	0	115.6
973	S	25.4	Very low	26.4	Very low	107 Å²	107	150.3 Å²	150.3	75%	0.748	76%	0.76	S	S	*	*			cis	-177.3	116.5	-22.2	50.9	0	0	0	0	111.8
974	S	30.4	Very low	26.2	Very low	118 Å²	118	150.2 Å²	150.2	83%	0.825	76%	0.759	S	S	*	*			trans	-159.2	121.9	164	42.2	0	0	0	0	109.3
975	R	26.8	Very low	26.1	Very low	237 Å²	237	150.5 Å²	150.5	89%	0.894	76%	0.761	S	S	*	*				69.2	90.5	71.8	-96.2	-175	169.6	162	-3.6	115
976	S	25	Very low	26.2	Very low	104 Å²	104	151.9 Å²	151.9	73%	0.727	76%	0.764	S	S	*	*			trans	47.8	120.2	131.5	58.3	0	0	0	0	120.8
977	K	29	Very low	26.2	Very low	217 Å²	217	153.6 Å²	153.6	94%	0.943	76%	0.764	S	S	*	*				-151.4	169	125.5	-111.3	168.9	-174.5	-179.4	0	110.5
978	S	24.1	Very low	26.3	Very low	106 Å²	106	154 Å²	154	74%	0.741	77%	0.77	S	S	*	*			trans	-132	135.9	-165.7	53.3	0	0	0	0	113
979	C	26.6	Very low	26.4	Very low	120 Å²	120	153.5 Å²	153.5	81%	0.811	78%	0.775	S	S	*	*			trans	-128.6	129.2	146.3	-74.5	0	0	0	0	104.9
980	K	24.5	Very low	26.4	Very low	153 Å²	153	152.7 Å²	152.7	67%	0.665	78%	0.781	S	S	*	*			cis	54.4	90.9	39	-91.5	-149.9	171.3	-140.5	0	113	E982	K980-E982 VanDerWaalsContact CD-OE2 3.28Å; K980-E982 WeakPolarHBondContact CD-OE2 3.1Å; K980-E982 WeakPolarHBondContact CE-OE1 3.32Å; K980-E982 WeakPolarHBondContact CE-OE2 3.42Å; K980-E982 IonicContact NZ-OE1 2.83Å; K980-E982 PolarHBondContact NZ-OE1 2.8Å; K980-E982 IonicContact NZ-OE2 2.73Å; K980-E982 PolarHBondContact NZ-OE2 2.64Å
981	Y	27.4	Very low	26.3	Very low	217 Å²	217	153 Å²	153	85%	0.851	79%	0.788	S	S	*	*			trans	-126.2	97.6	141.2	-101.8	-80.6	0	0	0	106.5
982	E	24.2	Very low	26.3	Very low	115 Å²	115	149.5 Å²	149.5	54%	0.537	79%	0.789	S	S	.	*			trans	-83.3	147.3	150.4	-69.4	125.5	149.9	0	0	107.3	K980	K980-E982 VanDerWaalsContact CD-OE2 3.28Å; K980-E982 WeakPolarHBondContact CD-OE2 3.1Å; K980-E982 WeakPolarHBondContact CE-OE1 3.32Å; K980-E982 WeakPolarHBondContact CE-OE2 3.42Å; K980-E982 IonicContact NZ-OE1 2.83Å; K980-E982 PolarHBondContact NZ-OE1 2.8Å; K980-E982 IonicContact NZ-OE2 2.73Å; K980-E982 PolarHBondContact NZ-OE2 2.64Å
983	N	29.9	Very low	26.4	Very low	160 Å²	160	145 Å²	145	86%	0.856	78%	0.778	S	S	*	*			trans	-136.2	114.1	156.1	-106.4	-15	0	0	0	105.7
984	E	24.5	Very low	26.4	Very low	158 Å²	158	147.8 Å²	147.8	74%	0.738	78%	0.783	S	S	*	*			trans	-94	179.5	-175.3	-54.2	-177.2	110.8	0	0	111.6
985	L	23.9	Very low	26.3	Very low	133 Å²	133	151.6 Å²	151.6	70%	0.696	79%	0.785	S	S	*	*			trans	70.6	146.6	159.9	-61.1	154.7	0	0	0	115.2	I987	L985-I987 HydrophobicContact CD2-CD1 3.64Å; L985-I987 HydrophobicContact CD2-CG1 4.09Å
986	K	25.6	Very low	26.2	Very low	195 Å²	195	144.1 Å²	144.1	85%	0.848	77%	0.769	S	S	*	*			cis	-125.4	129.9	8.7	-57	167	-177	178.1	0	107.2
987	I	24.5	Very low	26.4	Very low	143 Å²	143	145.6 Å²	145.6	73%	0.733	77%	0.773	S	S	*	*				43.3	104.3	72.3	-55.3	-172.5	0	0	0	112.6	L985	L985-I987 HydrophobicContact CD2-CD1 3.64Å; L985-I987 HydrophobicContact CD2-CG1 4.09Å
988	C	28	Very low	26.2	Very low	125 Å²	125	145 Å²	145	85%	0.845	77%	0.77	S	S	*	*			trans	-149.1	113.3	157.5	-128.6	0	0	0	0	110.4
989	N	28.2	Very low	26.3	Very low	157 Å²	157	147.3 Å²	147.3	84%	0.84	78%	0.775	S	S	*	*			trans	34.5	107.8	167.6	-66.8	-1.7	0	0	0	121.6
990	V	25.9	Very low	26.3	Very low	144 Å²	144	148.1 Å²	148.1	87%	0.873	77%	0.769	S	S	*	*			trans	-67.2	128.9	146.4	174.7	0	0	0	0	110
991	S	25.1	Very low	26.4	Very low	111 Å²	111	152.1 Å²	152.1	78%	0.776	78%	0.78	S	S	*	*			trans	-165.6	16.9	147.7	-150.9	0	0	0	0	115.6
992	T	27.8	Very low	26.3	Very low	132 Å²	132	145.3 Å²	145.3	81%	0.81	75%	0.753	S	S	*	*	S	Bend	trans	-158.5	137	169	12.7	0	0	0	0	107.5
993	V	27	Very low	26.3	Very low	94 Å²	94	147 Å²	147	57%	0.57	77%	0.766	S	S	*	*			cis	-129.5	91.8	10.7	-176.6	0	0	0	0	110.5	K995 S996	V993-K995 HydrophobicContact CG1-CB 3.94Å; V993-K995 PolarHBondContact O-N 2.68Å; V993-S996 VanDerWaalsContact CG1-OG 3.3Å; V993-S996 WeakPolarHBondContact CG1-OG 3.25Å
994	L	26.5	Very low	26.2	Very low	164 Å²	164	145 Å²	145	86%	0.859	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	38.3	170.1	-137.9	168	0	0	0	111.3
995	K	27.1	Very low	26.3	Very low	199 Å²	199	139.2 Å²	139.2	87%	0.865	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.8	12.7	-167.9	-132.2	174.6	-175.3	178.9	0	114.5	V993	V993-K995 HydrophobicContact CG1-CB 3.94Å; V993-K995 PolarHBondContact O-N 2.68Å
996	S	26.2	Very low	26.5	Very low	80 Å²	80	137 Å²	137	56%	0.559	73%	0.73	S	S	*	*			trans	-120.4	13.4	-179.7	-59.1	0	0	0	0	114.6	V993 K998	V993-S996 VanDerWaalsContact CG1-OG 3.3Å; V993-S996 WeakPolarHBondContact CG1-OG 3.25Å; S996-K998 PolarHBondContact O-N 2.93Å
997	V	27.4	Very low	26.6	Very low	134 Å²	134	133 Å²	133	81%	0.812	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	5	-174.3	177.9	0	0	0	0	113.8
998	K	26.2	Very low	26.6	Very low	204 Å²	204	130.3 Å²	130.3	89%	0.887	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.2	-1.6	-174.5	-90.5	-167.4	172.7	-172.1	0	117.8	S996	S996-K998 PolarHBondContact O-N 2.93Å
999	N	25.4	Very low	26.5	Very low	156 Å²	156	129.2 Å²	129.2	83%	0.834	70%	0.702	S	S	*	*	S	Bend	trans	-143.7	25.2	-167.8	-114.9	-14.9	0	0	0	119.4
1000	I	27.1	Very low	26.3	Very low	136 Å²	136	127 Å²	127	70%	0.697	69%	0.694	S	S	*	*			trans	-126.4	81.2	162.7	-53.7	-177.5	0	0	0	110.2
1001	R	26.1	Very low	26.3	Very low	237 Å²	237	125.8 Å²	125.8	89%	0.894	69%	0.691	S	S	*	*			trans	-91.7	12.7	161.3	-153.7	172.7	-174.5	167.3	-0.8	111.6
1002	Y	24.8	Very low	26.2	Very low	74 Å²	74	127.6 Å²	127.6	29%	0.29	69%	0.691	S	S	.	*			trans	-131.5	87.6	-174.2	-94.9	-85.8	0	0	0	112.1	I1255 I1259	Y1002-I1255 HydrophobicContact CE1-CG2 3.55Å; Y1002-I1255 HydrophobicContact CE2-CG2 4.42Å; Y1002-I1255 VanDerWaalsContact CZ-CG2 3.45Å; Y1002-I1255 WeakPolarHBondContact OH-CG2 3.39Å; Y1002-I1259 HydrophobicContact CE2-CD1 3.53Å; Y1002-I1259 WeakPolarHBondContact OH-CD1 3.16Å
1003	L	25.4	Very low	26.1	Very low	152 Å²	152	124.7 Å²	124.7	80%	0.796	68%	0.676	S	S	*	*			trans	-151	26.3	150.6	-112.9	176.4	0	0	0	112.5
1004	T	27.8	Very low	26.1	Very low	117 Å²	117	123.7 Å²	123.7	72%	0.718	66%	0.664	S	S	*	*			trans	-112.9	65.1	169.1	53.5	0	0	0	0	109.3
1005	G	27.2	Very low	26	Very low	37 Å²	37	125.7 Å²	125.7	38%	0.381	66%	0.662	S	S	.	*			trans	-78.8	122.9	162.1	0	0	0	0	0	108
1006	L	27.5	Very low	26	Very low	86 Å²	86	123 Å²	123	45%	0.45	66%	0.657	S	S	.	*			cis	78.7	133.1	49.4	-72.2	165.7	0	0	0	113	Y1248 Y1251	L1006-Y1248 PolarHBondContact O-OH 3.09Å; L1006-Y1251 HydrophobicContact CB-CE1 4.48Å
1007	E	26.3	Very low	26	Very low	111 Å²	111	126 Å²	126	52%	0.519	67%	0.666	S	S	.	*			trans	78.7	86	-165.3	-58.2	173.5	-154.4	0	0	113.3
1008	S	25.9	Very low	25.9	Very low	87 Å²	87	126.9 Å²	126.9	61%	0.608	67%	0.667	S	S	*	*			cis	68.2	50.4	2.1	88.4	0	0	0	0	119.1	V1010	S1008-V1010 PolarHBondContact O-N 2.95Å
1009	S	24.9	Very low	26	Very low	102 Å²	102	124.2 Å²	124.2	71%	0.713	66%	0.661	S	S	*	*			trans	-85.4	64.8	152.3	49.3	0	0	0	0	111.1	C1011	S1009-C1011 PolarHBondContact O-N 2.87Å
1010	V	25.4	Very low	26	Very low	109 Å²	109	121 Å²	121	66%	0.661	65%	0.651	S	S	*	*			trans	-76.2	109.8	168.8	-178.8	0	0	0	0	107.7	S1008 L1012	S1008-V1010 PolarHBondContact O-N 2.95Å; V1010-L1012 HydrophobicContact CG1-CG 4.15Å; V1010-L1012 PolarHBondContact O-N 3.08Å
1011	C	24.8	Very low	26.1	Very low	120 Å²	120	121.9 Å²	121.9	81%	0.811	65%	0.651	S	S	*	*			trans	-70.6	86.7	165.5	-74.8	0	0	0	0	109.2	S1009 S1013	S1009-C1011 PolarHBondContact O-N 2.87Å; C1011-S1013 PolarHBondContact O-N 3.5Å
1012	L	24.3	Very low	26.2	Very low	149 Å²	149	117.7 Å²	117.7	78%	0.78	65%	0.647	S	S	*	*			trans	-65.4	97.9	165.7	-87.3	161.5	0	0	0	108.9	V1010	V1010-L1012 HydrophobicContact CG1-CG 4.15Å; V1010-L1012 PolarHBondContact O-N 3.08Å
1013	S	24.9	Very low	26.3	Very low	71 Å²	71	120 Å²	120	50%	0.497	66%	0.664	S	S	.	*			trans	-144	37.3	161.6	50.5	0	0	0	0	110	E395 C1011	E395-S1013 WeakPolarHBondContact CB-O 3.34Å; C1011-S1013 PolarHBondContact O-N 3.5Å
1014	K	25.9	Very low	26.3	Very low	73 Å²	73	118.8 Å²	118.8	32%	0.317	66%	0.659	S	S	.	*	S	Bend	trans	-136.9	131	166.3	-68.4	-135.4	161.9	-140.6	0	107.7	E393 E395 D396	E393-K1014 IonicContact OE2-NZ 2.65Å; E393-K1014 PolarHBondContact OE2-NZ 2.98Å; E395-K1014 HydrophobicContact CB-CD 4.36Å; E395-K1014 HydrophobicContact CB-CG 4Å; E395-K1014 HydrophobicContact CG-CB 4.39Å; E395-K1014 HydrophobicContact CG-CD 4.49Å; E395-K1014 HydrophobicContact CG-CG 4.2Å; E395-K1014 WeakPolarHBondContact OE1-CA 3.44Å; E395-K1014 WeakPolarHBondContact OE1-CB 3.32Å; E395-K1014 VanDerWaalsContact OE2-CD 3.29Å; E395-K1014 WeakPolarHBondContact OE2-CD 3.29Å; E395-K1014 VanDerWaalsContact OE2-CE 3.28Å; E395-K1014 WeakPolarHBondContact OE2-CE 3.38Å; E395-K1014 IonicContact OE2-NZ 3.09Å; E395-K1014 PolarHBondContact OE2-NZ 3.27Å; D396-K1014 WeakPolarHBondContact OD1-CE 3.5Å; D396-K1014 IonicContact OD1-NZ 2.66Å; D396-K1014 PolarHBondContact OD1-NZ 3.13Å
1015	Y	25	Very low	26.2	Very low	206 Å²	206	120.9 Å²	120.9	81%	0.808	66%	0.664	S	S	*	*	S	Bend	trans	61.5	68.9	-166.7	-71.4	-94.3	0	0	0	116.5	E395	E395-Y1015 PolarHBondContact OE1-N 2.99Å; E395-Y1015 VanDerWaalsContact OE1-N 3.14Å
1016	N	26.9	Very low	26.1	Very low	143 Å²	143	126 Å²	126	77%	0.765	68%	0.682	S	S	*	*			trans	-172	135.4	139	-106.7	42.5	0	0	0	104.7
1017	D	27.7	Very low	26.1	Very low	141 Å²	141	130.8 Å²	130.8	75%	0.754	70%	0.699	S	S	*	*			cis	-125.9	161.2	8.4	-59.1	-60.8	0	0	0	111.5
1018	D	25.2	Very low	26	Very low	153 Å²	153	130.1 Å²	130.1	82%	0.818	71%	0.707	S	S	*	*			trans	-132.3	123.4	163.8	-140.6	-13.9	0	0	0	107.3
1019	I	27.3	Very low	26	Very low	149 Å²	149	130.5 Å²	130.5	76%	0.764	71%	0.71	S	S	*	*			trans	66.2	107.9	174.2	-51.4	175.7	0	0	0	116.9
1020	S	25.5	Very low	26	Very low	89 Å²	89	136.7 Å²	136.7	62%	0.622	72%	0.718	S	S	*	*			trans	-95	166.4	154.1	54.2	0	0	0	0	111.1
1021	H	28.9	Very low	26.2	Very low	153 Å²	153	136.6 Å²	136.6	71%	0.708	72%	0.721	S	S	*	*			trans	70.1	146.5	178.5	-47.9	-77	0	0	0	113.9
1022	D	28.4	Very low	26.2	Very low	150 Å²	150	138.6 Å²	138.6	80%	0.802	72%	0.719	S	S	*	*			cis	-126.8	142.5	27.9	-87.4	-41.4	0	0	0	116.7
1023	D	26.9	Very low	26.2	Very low	122 Å²	122	136.1 Å²	136.1	65%	0.652	71%	0.714	S	S	*	*				35.5	137.4	129.9	-88	21.3	0	0	0	126
1024	N	25.6	Very low	26.3	Very low	127 Å²	127	143.3 Å²	143.3	68%	0.679	73%	0.732	S	S	*	*			trans	57.9	107.2	135.8	-70.4	-45.5	0	0	0	122
1025	L	26.6	Very low	26.5	Very low	161 Å²	161	147.2 Å²	147.2	84%	0.843	76%	0.755	S	S	*	*				-162.6	95.2	126.3	-104	152.4	0	0	0	109.7
1026	L	24.2	Very low	26.4	Very low	143 Å²	143	147.1 Å²	147.1	75%	0.749	76%	0.759	S	S	*	*				53.6	103.3	93.4	-110.1	172.1	0	0	0	115.7
1027	K	27.3	Very low	26.5	Very low	187 Å²	187	145.1 Å²	145.1	81%	0.813	76%	0.756	S	S	*	*			trans	136.5	141.9	149.6	-76.6	156.7	-173.1	172.8	0	111.9
1028	S	24.7	Very low	26.7	Very low	98 Å²	98	143.1 Å²	143.1	69%	0.685	75%	0.753	S	S	*	*			cis	-177	171.9	-24.2	48.1	0	0	0	0	108.1
1029	S	26.3	Very low	26.8	Very low	95 Å²	95	142.5 Å²	142.5	66%	0.664	75%	0.749	S	S	*	*			trans	60.9	111.9	152.3	54.9	0	0	0	0	121.2
1030	R	25.2	Very low	26.7	Very low	232 Å²	232	143.6 Å²	143.6	88%	0.875	75%	0.751	S	S	*	*				59.4	109.1	129.2	-68.8	176.6	160.1	151.1	-6.4	120.9
1031	S	28.6	Very low	26.9	Very low	106 Å²	106	147.4 Å²	147.4	74%	0.741	76%	0.759	S	S	*	*				-176.1	128.3	102	56.8	0	0	0	0	108
1032	E	24.7	Very low	26.9	Very low	163 Å²	163	146.1 Å²	146.1	76%	0.762	76%	0.757	S	S	*	*				55.3	132.5	68	-66.2	175.5	145.2	0	0	113.4
1033	S	24.7	Very low	26.8	Very low	96 Å²	96	144.7 Å²	144.7	67%	0.671	75%	0.749	S	S	*	*			cis	179.9	98	-26.1	41.1	0	0	0	0	109.4
1034	Y	27.4	Very low	26.9	Very low	223 Å²	223	146.5 Å²	146.5	88%	0.875	75%	0.751	S	S	*	*			trans	-155.3	134.3	172.6	-84.3	-83.2	0	0	0	107.3
1035	L	28.6	Very low	27.1	Very low	154 Å²	154	146 Å²	146	81%	0.806	76%	0.757	S	S	*	*			cis	-134.4	161.1	3.7	-94	164.8	0	0	0	111.8
1036	K	24.6	Very low	27.1	Very low	205 Å²	205	149.4 Å²	149.4	89%	0.891	76%	0.759	S	S	*	*			trans	-136.7	96	178.5	-178.6	-166.1	174.5	-172.1	0	111
1037	S	27.3	Very low	27.5	Very low	101 Å²	101	147.4 Å²	147.4	71%	0.706	76%	0.755	S	S	*	*			trans	-175.8	130.1	171.3	49	0	0	0	0	107.5
1038	S	32.7	Very low	27.4	Very low	98 Å²	98	145.5 Å²	145.5	69%	0.685	75%	0.753	S	S	*	*			cis	-133.9	137.5	18	-62.7	0	0	0	0	110.8
1039	L	26.9	Very low	27.4	Very low	140 Å²	140	147.3 Å²	147.3	73%	0.733	75%	0.753	S	S	*	*				57.1	109	108.8	-59.2	156.4	0	0	0	113.2
1040	E	25.9	Very low	27.4	Very low	172 Å²	172	149.9 Å²	149.9	80%	0.804	76%	0.76	S	S	*	*				63.9	109.8	60.5	-58.7	178.4	138.8	0	0	113.2
1041	E	30.3	Very low	27.5	Very low	169 Å²	169	144.7 Å²	144.7	79%	0.79	76%	0.758	S	S	*	*				-163.4	144	113.7	-100	-153.6	139.2	0	0	112.8
1042	L	28.7	Very low	27.7	Very low	126 Å²	126	145.8 Å²	145.8	66%	0.66	76%	0.762	S	S	*	*			trans	44.5	117.3	148.6	-53.5	172	0	0	0	120.1
1043	D	26.6	Very low	27.8	Very low	120 Å²	120	141.2 Å²	141.2	64%	0.642	76%	0.758	S	S	*	*			cis	82.8	141.5	30.2	-167	34.6	0	0	0	116.4
1044	K	27.6	Very low	27.9	Very low	160 Å²	160	144.4 Å²	144.4	70%	0.696	77%	0.766	S	S	*	*			trans	68.5	145.5	-177.2	-60.9	122.7	-178.7	142.9	0	116
1045	S	30.7	Very low	27.9	Very low	116 Å²	116	138.6 Å²	138.6	81%	0.811	76%	0.758	S	S	*	*			cis	-159.4	162	-5.5	41.2	0	0	0	0	112.7
1046	R	26.2	Very low	27.9	Very low	233 Å²	233	136 Å²	136	88%	0.879	75%	0.753	S	S	*	*			trans	-79.2	-167.8	164.4	-54.1	177.1	165.7	-173.4	-1.5	110.9
1047	P	32.7	Very low	28.2	Very low	102 Å²	102	132.6 Å²	132.6	66%	0.662	75%	0.749	S	S	*	*			cis	-131.9	-155	-16.9	21.9	5.3	0	0	0	112.9
1048	L	24.7	Very low	28.2	Very low	147 Å²	147	133.4 Å²	133.4	77%	0.77	74%	0.74	S	S	*	*			trans	83	153.7	155.3	-52.5	172.1	0	0	0	118.2
1049	I	24.6	Very low	28.2	Very low	135 Å²	135	135.9 Å²	135.9	69%	0.692	75%	0.745	S	S	*	*			cis	-166.2	164.7	-42	-130.4	176.3	0	0	0	108.9
1050	N	25.8	Very low	28.3	Very low	150 Å²	150	134.6 Å²	134.6	80%	0.802	75%	0.748	S	S	*	*			trans	76.2	151.3	166.9	-74.5	-10	0	0	0	122.5
1051	C	27.5	Very low	28.4	Very low	123 Å²	123	131.3 Å²	131.3	83%	0.831	74%	0.744	S	S	*	*			trans	-110	-152.1	178.2	-49.4	0	0	0	0	108.6
1052	P	32.7	Very low	28.3	Very low	129 Å²	129	129.6 Å²	129.6	84%	0.838	75%	0.746	S	S	*	*			cis	-141.3	-178.6	-9.1	42.8	-24.7	0	0	0	116.7
1053	G	27.4	Very low	28.3	Very low	66 Å²	66	128 Å²	128	68%	0.68	75%	0.745	S	S	*	*				111.5	163.5	128.1	0	0	0	0	0	121
1054	I	27.7	Very low	28.4	Very low	163 Å²	163	129.2 Å²	129.2	84%	0.836	75%	0.751	S	S	*	*			trans	69	104	166	-52.6	174.7	0	0	0	114.5
1055	S	26.4	Very low	28.3	Very low	102 Å²	102	128.2 Å²	128.2	71%	0.713	75%	0.753	S	S	*	*			cis	75	145.9	43.9	92.2	0	0	0	0	114.4
1056	S	28.5	Very low	28.2	Very low	99 Å²	99	128.1 Å²	128.1	69%	0.692	74%	0.743	S	S	*	*			cis	-174.4	177.1	-20.2	61.1	0	0	0	0	108
1057	V	30.8	Very low	28.4	Very low	133 Å²	133	125.2 Å²	125.2	81%	0.806	74%	0.74	S	S	*	*			trans	167.3	157.6	147.1	150	0	0	0	0	111.5
1058	K	28.3	Very low	28.2	Very low	119 Å²	119	124.5 Å²	124.5	52%	0.517	74%	0.737	S	S	.	*			trans	-113.9	-170.9	-174.3	-65.2	124.6	71.3	178	0	110.9	A453 T454	A453-K1058 PolarHBondContact O-NZ 3.15Å; T454-K1058 HydrophobicContact CG2-CD 4.13Å; T454-K1058 HydrophobicContact CG2-CG 4.42Å
1059	D	32.1	Very low	28.4	Very low	149 Å²	149	126.1 Å²	126.1	80%	0.797	74%	0.738	S	S	*	*				-168.3	-169.8	63	-84.6	-48.4	0	0	0	113.9
1060	S	28.5	Very low	28.4	Very low	114 Å²	114	126.5 Å²	126.5	80%	0.797	74%	0.741	S	S	*	*			trans	-153.2	151	-156.8	60.8	0	0	0	0	117.5
1061	S	29.7	Very low	28.5	Very low	103 Å²	103	129.5 Å²	129.5	72%	0.72	74%	0.741	S	S	*	*			trans	-171.2	130.7	164.1	48.3	0	0	0	0	110.3
1062	T	28	Very low	28.5	Very low	133 Å²	133	130.4 Å²	130.4	82%	0.816	74%	0.737	S	S	*	*				71.3	135.7	59.2	62.5	0	0	0	0	115.6
1063	S	27.9	Very low	28.1	Very low	93 Å²	93	131.6 Å²	131.6	65%	0.65	73%	0.733	S	S	*	*			cis	-176.3	176.6	-4	47.2	0	0	0	0	112.5
1064	N	27.9	Very low	28.1	Very low	144 Å²	144	135 Å²	135	77%	0.77	74%	0.735	S	S	*	*			trans	78.3	157.7	161.8	-61.6	-25.1	0	0	0	118.8
1065	L	25.9	Very low	27.9	Very low	139 Å²	139	137.3 Å²	137.3	73%	0.728	74%	0.739	S	S	*	*			cis	-154.1	143.9	0.6	-151.3	74.8	0	0	0	115.4
1066	N	29.2	Very low	27.9	Very low	114 Å²	114	136 Å²	136	61%	0.61	74%	0.741	S	S	*	*			trans	25.9	128.7	149.6	-74.2	-43.1	0	0	0	127.8
1067	Q	29.6	Very low	27.9	Very low	173 Å²	173	140.6 Å²	140.6	81%	0.808	75%	0.752	S	S	*	*				72.1	159.4	126	-61	179.4	35.6	0	0	120.9
1068	S	29.9	Very low	27.7	Very low	87 Å²	87	140.4 Å²	140.4	61%	0.608	75%	0.746	S	S	*	*			cis	-158	162.8	26.5	73.7	0	0	0	0	117.6
1069	K	27.4	Very low	27.6	Very low	181 Å²	181	142 Å²	142	79%	0.787	76%	0.76	S	S	*	*			trans	67.8	122.7	159	-68.9	164.4	-178.1	168.5	0	118.9
1070	L	25.9	Very low	27.4	Very low	142 Å²	142	142.3 Å²	142.3	74%	0.743	76%	0.757	S	S	*	*				68.5	136.2	69.8	-87.4	72.1	0	0	0	113
1071	R	26.2	Very low	27.2	Very low	214 Å²	214	146 Å²	146	81%	0.808	76%	0.755	S	S	*	*			cis	-152.9	167.5	14.5	-110.5	166.1	-171.6	163.7	3.6	107
1072	L	27.8	Very low	27	Very low	142 Å²	142	145.9 Å²	145.9	74%	0.743	75%	0.75	S	S	*	*			cis	-174.1	158.6	45.7	-126.4	153.8	0	0	0	111.2
1073	M	25.7	Very low	26.9	Very low	153 Å²	153	148.8 Å²	148.8	75%	0.754	75%	0.754	S	S	*	*			trans	-19.5	159.8	161.8	-68.8	169.6	-174.3	0	0	120.5
1074	N	25.9	Very low	26.7	Very low	138 Å²	138	153.2 Å²	153.2	74%	0.738	76%	0.758	S	S	*	*			cis	-166.7	171.3	4	-116.8	-16.9	0	0	0	113.4
1075	K	25	Very low	26.7	Very low	212 Å²	212	153.4 Å²	153.4	92%	0.922	75%	0.754	S	S	*	*			trans	92.2	128.5	164.7	-57.2	-178.6	178.8	-179.8	0	118.5
1076	G	26.8	Very low	26.7	Very low	73 Å²	73	151.9 Å²	151.9	75%	0.753	75%	0.75	S	S	*	*			trans	151.2	99.7	159.7	0	0	0	0	0	115.3
1077	E	27.4	Very low	26.4	Very low	197 Å²	197	153.3 Å²	153.3	92%	0.921	75%	0.748	S	S	*	*			trans	35.6	126.1	150	-60.9	174	176.3	0	0	120.8
1078	L	26	Very low	26.3	Very low	128 Å²	128	151.3 Å²	151.3	67%	0.67	74%	0.743	S	S	*	*			trans	-131.6	116.8	164.5	-164.6	84.1	0	0	0	109.9
1079	N	27	Very low	26.1	Very low	152 Å²	152	150.8 Å²	150.8	81%	0.813	73%	0.733	S	S	*	*			trans	-137.8	112.2	-175.2	-135.1	25.4	0	0	0	110
1080	Q	27.3	Very low	26.2	Very low	156 Å²	156	146.4 Å²	146.4	73%	0.729	72%	0.722	S	S	*	*			trans	-172.8	160.9	157.7	-110.1	166.6	17.7	0	0	112.4
1081	Y	24.4	Very low	26.3	Very low	193 Å²	193	146.3 Å²	146.3	76%	0.757	72%	0.722	S	S	*	*			trans	81.3	51.3	-179.3	-63.6	-70	0	0	0	119.3
1082	T	26.6	Very low	26.3	Very low	100 Å²	100	142.6 Å²	142.6	61%	0.613	72%	0.717	S	S	*	*			trans	-139	69.5	156.5	42.4	0	0	0	0	112.4	Y1084	T1082-Y1084 VanDerWaalsContact C-N 3.32Å; T1082-Y1084 PolarHBondContact O-N 2.98Å
1083	E	25.4	Very low	26.3	Very low	193 Å²	193	146.1 Å²	146.1	90%	0.902	72%	0.722	S	S	*	*			trans	-75.3	83.3	169.2	-73.1	-163.5	144.1	0	0	111.5
1084	Y	24.2	Very low	26.4	Very low	187 Å²	187	143 Å²	143	73%	0.733	72%	0.715	S	S	*	*			trans	-168.5	57.7	140.3	-105.7	-67.5	0	0	0	108.7	Y383 T1082 T1086	Y383-Y1084 AromaticContact CE1-CD2 4Å; Y383-Y1084 HydrophobicContact CE1-CD2 4Å; Y383-Y1084 HydrophobicContact CE1-CE1 4.48Å; Y383-Y1084 AromaticContact CE1-CE2 3.64Å; Y383-Y1084 HydrophobicContact CE1-CE2 3.64Å; Y383-Y1084 AromaticContact CE1-CZ 3.92Å; Y383-Y1084 AromaticContact CZ-CE2 3.98Å; Y383-Y1084 AromaticContact CZ-CZ 3.85Å; Y383-Y1084 PolarHBondContact OH-OH 2.75Å; T1082-Y1084 VanDerWaalsContact C-N 3.32Å; T1082-Y1084 PolarHBondContact O-N 2.98Å; Y1084-T1086 PolarHBondContact O-N 3.2Å
1085	E	26.8	Very low	26.5	Very low	148 Å²	148	141.9 Å²	141.9	69%	0.692	72%	0.719	S	S	*	*			trans	-73.7	122.5	-179.9	-77.3	-172.3	160.9	0	0	112.5
1086	T	26.1	Very low	26.7	Very low	106 Å²	106	137.9 Å²	137.9	65%	0.65	70%	0.703	S	S	*	*			trans	16	110.5	145.4	53.5	0	0	0	0	118.4	Y1084 N1088	Y1084-T1086 PolarHBondContact O-N 3.2Å; T1086-N1088 PolarHBondContact O-N 2.78Å
1087	Y	24.2	Very low	26.9	Very low	145 Å²	145	143.6 Å²	143.6	57%	0.569	71%	0.71	S	S	*	*			trans	-74.1	49.9	155.6	-119.5	-97.3	0	0	0	112.1	V898 L899 N1089	V898-Y1087 WeakPolarHBondContact CG1-OH 3.2Å; L899-Y1087 PolarHBondContact O-OH 2.94Å; Y1087-N1089 VanDerWaalsContact C-N 3.3Å; Y1087-N1089 HydrophobicContact CD1-CB 4.42Å; Y1087-N1089 VanDerWaalsContact CE1-ND2 3.28Å; Y1087-N1089 WeakPolarHBondContact CE1-ND2 3.46Å; Y1087-N1089 PolarHBondContact O-N 3.28Å
1088	N	26.3	Very low	27	Very low	130 Å²	130	137.7 Å²	137.7	70%	0.695	69%	0.691	S	S	*	*			trans	-91.3	74	169	-155	5.4	0	0	0	107.7	T1086 T1090	T1086-N1088 PolarHBondContact O-N 2.78Å; N1088-T1090 WeakPolarHBondContact O-CG2 3.28Å
1089	N	26.1	Very low	27.1	Very low	77 Å²	77	139.4 Å²	139.4	41%	0.412	70%	0.699	S	S	.	*			trans	-81.8	139.3	-164.7	-128.2	-51.5	0	0	0	111.8	L900 Y1087	L900-N1089 HydrophobicContact CD1-CB 3.94Å; L900-N1089 VanDerWaalsContact CD1-OD1 3.28Å; L900-N1089 WeakPolarHBondContact CD1-OD1 3.28Å; L900-N1089 HydrophobicContact CD2-CB 3.94Å; L900-N1089 HydrophobicContact CG-CB 4Å; Y1087-N1089 VanDerWaalsContact C-N 3.3Å; Y1087-N1089 HydrophobicContact CD1-CB 4.42Å; Y1087-N1089 VanDerWaalsContact CE1-ND2 3.28Å; Y1087-N1089 WeakPolarHBondContact CE1-ND2 3.46Å; Y1087-N1089 PolarHBondContact O-N 3.28Å
1090	T	30	Very low	27	Very low	89 Å²	89	139.5 Å²	139.5	55%	0.546	69%	0.694	S	S	.	*			trans	-138.9	173.7	-149.4	36.3	0	0	0	0	113.4	N1088	N1088-T1090 WeakPolarHBondContact O-CG2 3.28Å
1091	N	27.8	Very low	26.8	Very low	140 Å²	140	135.2 Å²	135.2	75%	0.749	69%	0.692	S	S	*	*			trans	71	125.3	162.1	-51.8	-49.5	0	0	0	117.5
1092	L	25.3	Very low	26.9	Very low	135 Å²	135	135.9 Å²	135.9	71%	0.707	70%	0.698	S	S	*	*				168.4	116.1	107.4	-90.7	159.7	0	0	0	110.6
1093	Y	27.1	Very low	26.8	Very low	216 Å²	216	138.4 Å²	138.4	85%	0.847	71%	0.708	S	S	*	*				-154.8	133.5	105.4	-121.6	-79	0	0	0	111.9
1094	S	28.3	Very low	26.9	Very low	87 Å²	87	138.7 Å²	138.7	61%	0.608	71%	0.706	S	S	*	*			trans	-101.6	150.2	177.2	53.6	0	0	0	0	111.2
1095	S	29.3	Very low	26.9	Very low	115 Å²	115	137 Å²	137	80%	0.804	71%	0.71	S	S	*	*			trans	-155	91.2	145	60.2	0	0	0	0	110.7
1096	H	28	Very low	26.9	Very low	129 Å²	129	134.9 Å²	134.9	60%	0.597	71%	0.712	S	S	*	*			trans	-80.5	131.9	158.9	-96.2	-128.2	0	0	0	109.2	D890	D890-H1096 IonicContact OD1-CE1 2.76Å; D890-H1096 PolarHBondContact OD1-CE1 2.79Å; D890-H1096 IonicContact OD1-CG 3.25Å; D890-H1096 IonicContact OD1-ND1 3.48Å; D890-H1096 PolarHBondContact OD1-ND1 3.39Å; D890-H1096 IonicContact OD2-CE1 3.91Å; D890-H1096 IonicContact OD2-CG 2.91Å; D890-H1096 IonicContact OD2-ND1 2.86Å; D890-H1096 PolarHBondContact OD2-ND1 2.69Å
1097	Q	31.9	Very low	26.9	Very low	192 Å²	192	138.3 Å²	138.3	90%	0.897	72%	0.72	S	S	*	*			trans	-134.4	121.4	153.1	-79	-170.6	-28.5	0	0	107.8
1098	S	29.3	Very low	26.9	Very low	73 Å²	73	136.8 Å²	136.8	51%	0.51	73%	0.731	S	S	.	*			trans	-87	148.8	157	59.5	0	0	0	0	108.7
1099	I	27.1	Very low	27	Very low	164 Å²	164	135.1 Å²	135.1	84%	0.841	73%	0.73	S	S	*	*			trans	-161.7	154.5	149.4	-104	151.3	0	0	0	107.4
1100	H	25.5	Very low	27	Very low	154 Å²	154	136.1 Å²	136.1	71%	0.713	74%	0.743	S	S	*	*			trans	-66.8	153	-175.6	-64.7	-119.3	0	0	0	113	I887	I887-H1100 WeakPolarHBondContact CD1-CE1 3.4Å
1101	G	23.8	Very low	26.8	Very low	66 Å²	66	139.1 Å²	139.1	68%	0.68	75%	0.754	S	S	*	*				127.9	124	115.1	0	0	0	0	0	118.3
1102	K	25	Very low	26.7	Very low	207 Å²	207	139.4 Å²	139.4	90%	0.9	76%	0.755	S	S	*	*			trans	66.8	113.4	149.1	-60	179	-179.3	176.7	0	118.3
1103	N	26	Very low	26.8	Very low	153 Å²	153	139.8 Å²	139.8	82%	0.818	76%	0.757	S	S	*	*			trans	-18.8	139.8	143.9	-47.7	-11.7	0	0	0	114.9
1104	K	26.2	Very low	27	Very low	199 Å²	199	134.3 Å²	134.3	87%	0.865	75%	0.748	S	S	*	*				-165.7	159.6	105	-106.1	173.5	-176.3	-175.1	0	114.1
1105	N	24.8	Very low	26.9	Very low	152 Å²	152	138.7 Å²	138.7	81%	0.813	76%	0.756	S	S	*	*			trans	-69.4	140.9	-178	-35	-27	0	0	0	112.6
1106	S	25.9	Very low	26.7	Very low	103 Å²	103	138.3 Å²	138.3	72%	0.72	74%	0.744	S	S	*	*				-172.2	120.9	126.1	44.4	0	0	0	0	107.7
1107	Q	26.3	Very low	26.6	Very low	179 Å²	179	140.7 Å²	140.7	84%	0.836	75%	0.749	S	S	*	*				71.5	150.1	69.7	-84.4	-169.9	-35.6	0	0	114.7
1108	S	25.8	Very low	26.5	Very low	112 Å²	112	139 Å²	139	78%	0.783	74%	0.739	S	S	*	*			trans	64.5	145.4	164.3	42.3	0	0	0	0	117
1109	S	26.5	Very low	26.4	Very low	96 Å²	96	141.1 Å²	141.1	67%	0.671	74%	0.744	S	S	*	*			cis	-170.8	115.7	-9.2	40.8	0	0	0	0	106.4
1110	S	26.3	Very low	26.4	Very low	98 Å²	98	140.3 Å²	140.3	69%	0.685	74%	0.737	S	S	*	*				81.2	173.4	83	81.7	0	0	0	0	113.6
1111	L	26.4	Very low	26.7	Very low	152 Å²	152	139.2 Å²	139.2	80%	0.796	74%	0.736	S	S	*	*			trans	72.9	136.4	179.6	-44.9	172.3	0	0	0	115
1112	L	25.7	Very low	26.8	Very low	145 Å²	145	140.2 Å²	140.2	76%	0.759	73%	0.733	S	S	*	*			cis	-150	139.4	-10	-120.4	172.5	0	0	0	112.5
1113	L	27.5	Very low	26.9	Very low	143 Å²	143	137.9 Å²	137.9	75%	0.749	73%	0.725	S	S	*	*			trans	-33.6	155.7	147.5	-86.1	159.2	0	0	0	112.9
1114	P	30.7	Very low	26.8	Very low	101 Å²	101	134.7 Å²	134.7	66%	0.656	72%	0.715	S	S	*	*				-159.9	157.5	61.8	43.4	-22.2	0	0	0	121.3
1115	K	26.3	Very low	26.8	Very low	180 Å²	180	131.4 Å²	131.4	78%	0.783	71%	0.707	S	S	*	*			trans	74	144.1	134.7	-78.9	172.1	-167.2	176.9	0	118.1
1116	I	25.8	Very low	26.7	Very low	107 Å²	107	131 Å²	131	55%	0.549	70%	0.703	S	S	.	*			cis	-161.4	153.5	-5.1	-146.2	166.4	0	0	0	112.8
1117	Y	26.5	Very low	26.6	Very low	179 Å²	179	134.9 Å²	134.9	70%	0.702	71%	0.707	S	S	*	*			trans	61.3	152.3	158.3	-65.1	-35.9	0	0	0	119.3
1118	K	28	Very low	26.4	Very low	157 Å²	157	133.3 Å²	133.3	68%	0.683	70%	0.703	S	S	*	*			cis	-150.1	138.1	-0.2	-129.7	159	-173.1	-179.7	0	111.4
1119	N	27.4	Very low	26.2	Very low	117 Å²	117	133.8 Å²	133.8	63%	0.626	70%	0.701	S	S	*	*			trans	60.4	144.1	145.1	-67.7	17.7	0	0	0	119.9
1120	Q	28.6	Very low	25.9	Very low	146 Å²	146	133.7 Å²	133.7	68%	0.682	70%	0.701	S	S	*	*			cis	-156.8	157.6	-4.1	-122.1	161.4	-38.7	0	0	111
1121	N	30.2	Very low	25.7	Very low	131 Å²	131	136.1 Å²	136.1	70%	0.701	71%	0.705	S	S	*	*			trans	60.6	102.8	159.4	-58.6	5.8	0	0	0	115.7
1122	S	27.3	Very low	25.6	Very low	88 Å²	88	134.8 Å²	134.8	62%	0.615	70%	0.699	S	S	*	*			cis	61.5	142.3	27.2	117.6	0	0	0	0	111.8
1123	E	25.7	Very low	25.5	Very low	158 Å²	158	134.5 Å²	134.5	74%	0.738	70%	0.697	S	S	*	*			cis	-148	143.6	-4.5	-104.3	147.2	128.4	0	0	106.9
1124	S	25.5	Very low	25.4	Very low	86 Å²	86	133 Å²	133	60%	0.601	69%	0.69	S	S	*	*				71.7	152.9	71.1	113.3	0	0	0	0	115.5
1125	N	24.6	Very low	25.2	Very low	129 Å²	129	138.7 Å²	138.7	69%	0.69	70%	0.699	S	S	*	*			trans	82.8	106.3	178.4	-52.7	-50.1	0	0	0	116.1
1126	I	24.4	Very low	25.3	Very low	145 Å²	145	134.7 Å²	134.7	74%	0.744	69%	0.693	S	S	*	*				71.2	88.5	62.6	-58.2	164.2	0	0	0	112.2
1127	K	22.7	Very low	25.4	Very low	183 Å²	183	137.1 Å²	137.1	80%	0.796	71%	0.706	S	S	*	*				-173.1	145.9	117.9	-103.7	159.9	-173.6	174	0	113.9
1128	L	21.4	Very low	25.6	Very low	146 Å²	146	133.7 Å²	133.7	76%	0.764	71%	0.708	S	S	*	*			trans	52.9	124.7	142	-68.7	162.9	0	0	0	121.4
1129	V	22	Very low	25.5	Very low	122 Å²	122	130.7 Å²	130.7	74%	0.739	71%	0.707	S	S	*	*			trans	79.5	142.5	138.6	175.3	0	0	0	0	118.4
1130	S	21.6	Very low	25.6	Very low	94 Å²	94	132.6 Å²	132.6	66%	0.657	72%	0.717	S	S	*	*			trans	64.1	124.9	162.9	59.7	0	0	0	0	120.4
1131	L	22.3	Very low	25.7	Very low	149 Å²	149	134.6 Å²	134.6	78%	0.78	72%	0.724	S	S	*	*				56.2	135	128.3	-62.5	169.6	0	0	0	121.5
1132	N	23	Very low	25.5	Very low	124 Å²	124	135.6 Å²	135.6	66%	0.663	73%	0.727	S	S	*	*			trans	71.4	109.6	141.2	-68.8	-12.6	0	0	0	121
1133	L	23.9	Very low	25.5	Very low	139 Å²	139	140.6 Å²	140.6	73%	0.728	74%	0.738	S	S	*	*				74.2	133.5	120	-68.2	168.4	0	0	0	121.5
1134	N	24.8	Very low	25.7	Very low	112 Å²	112	139.8 Å²	139.8	60%	0.599	73%	0.728	S	S	*	*			trans	82.6	112.1	140.2	-76.6	-37.4	0	0	0	121.8
1135	R	27.8	Very low	25.9	Very low	221 Å²	221	144 Å²	144	83%	0.834	74%	0.743	S	S	*	*			trans	77.9	151.6	135.7	-60.2	169.7	-175.2	-172.2	-3.3	116.2
1136	S	27.8	Very low	26	Very low	96 Å²	96	142.5 Å²	142.5	67%	0.671	74%	0.742	S	S	*	*			cis	-148.1	143.2	11.8	-9.5	0	0	0	0	113.8
1137	I	28.1	Very low	26.2	Very low	157 Å²	157	143.5 Å²	143.5	81%	0.805	75%	0.748	S	S	*	*				51.9	124.3	127.8	-54	166.7	0	0	0	116.8
1138	S	30.9	Very low	26.6	Very low	108 Å²	108	144.5 Å²	144.5	76%	0.755	75%	0.753	S	S	*	*				-149.2	118.8	50.8	-162.8	0	0	0	0	111
1139	S	25.2	Very low	26.9	Very low	94 Å²	94	145.4 Å²	145.4	66%	0.657	76%	0.757	S	S	*	*				66.3	101.3	79.9	-168.6	0	0	0	0	115.7
1140	N	29.8	Very low	27.1	Very low	156 Å²	156	148 Å²	148	83%	0.834	76%	0.761	S	S	*	*	S	Bend	trans	176.8	-10	133.1	-91.2	-6.2	0	0	0	113.7
1141	K	29.8	Very low	27.6	Very low	189 Å²	189	153.4 Å²	153.4	82%	0.822	78%	0.777	S	S	*	*	S	Bend	trans	-92.5	8.9	-179.1	-141.2	178.8	-177.7	-172.8	0	115.4
1142	I	28	Very low	27.9	Very low	151 Å²	151	152.7 Å²	152.7	77%	0.774	77%	0.769	S	S	*	*			trans	-134.5	88.8	177.9	-54.6	178.8	0	0	0	109.4
1143	K	26.1	Very low	28.1	Very low	193 Å²	193	156.4 Å²	156.4	84%	0.839	77%	0.774	S	S	*	*	S	Bend	trans	-154.1	28	171.1	-143.9	178.7	-178.2	-178	0	115.4
1144	R	29.8	Very low	28.2	Very low	141 Å²	141	157.6 Å²	157.6	53%	0.532	78%	0.781	S	S	.	*	S	Bend	trans	-146.6	18.4	173.7	-123.3	177.5	-166.9	175.8	5	116	E93 L95	E93-R1144 IonicContact OE1-CZ 3.61Å; E93-R1144 IonicContact OE1-NE 2.79Å; E93-R1144 PolarHBondContact OE1-NE 3.38Å; E93-R1144 IonicContact OE1-NH2 3.08Å; E93-R1144 PolarHBondContact OE1-NH2 2.7Å; L95-R1144 VanDerWaalsContact CB-NH1 3.34Å
1145	L	29.5	Very low	28.5	Very low	176 Å²	176	161.9 Å²	161.9	92%	0.921	80%	0.797	S	S	*	*	S	Bend	trans	-132.8	19	-178.9	-82.6	171.3	0	0	0	113.8
1146	S	26.5	Very low	28.4	Very low	96 Å²	96	160 Å²	160	67%	0.671	80%	0.795	S	S	*	*	S	Bend	trans	-137.9	44.1	-173.7	65.9	0	0	0	0	113
1147	L	29.3	Very low	28.3	Very low	167 Å²	167	162.3 Å²	162.3	87%	0.874	80%	0.799	S	S	*	*	S	Bend	trans	-145.4	25.3	-176.8	-129.7	172.9	0	0	0	114.3
1148	K	31.5	Very low	28.3	Very low	203 Å²	203	162.3 Å²	162.3	88%	0.883	80%	0.801	S	S	*	*	S	Bend	trans	-148.3	6.2	175	-115	169.7	-172.9	174.4	0	116.2
1149	L	27.2	Very low	28	Very low	165 Å²	165	161.8 Å²	161.8	86%	0.864	79%	0.792	S	S	*	*	S	Bend	trans	-146.3	66.9	-179.1	-77.3	175.4	0	0	0	111.9
1150	E	26.6	Very low	27.9	Very low	176 Å²	176	164 Å²	164	82%	0.822	80%	0.797	S	S	*	*			trans	-176.4	63.6	148	-105.7	173.8	167	0	0	112.5
1151	Q	31.3	Very low	27.8	Very low	209 Å²	209	163.1 Å²	163.1	98%	0.977	80%	0.797	S	S	*	*			trans	-107.4	84.1	150.2	-86.8	-173.7	-34.2	0	0	107.4
1152	H	29.6	Very low	27.8	Very low	134 Å²	134	161.9 Å²	161.9	62%	0.62	80%	0.798	S	S	*	*			trans	-114.8	127.2	-172.8	-141.2	-6.1	0	0	0	109.3
1153	R	25.9	Very low	27.8	Very low	202 Å²	202	161.9 Å²	161.9	76%	0.762	80%	0.795	S	S	*	*			trans	56.6	96	163.2	-61.6	167.4	173.4	146.2	-2	116.4
1154	N	26.7	Very low	27.8	Very low	164 Å²	164	159.2 Å²	159.2	88%	0.877	79%	0.789	S	S	*	*				-169.7	90	124.5	-97.4	-14.5	0	0	0	111.2
1155	E	30.3	Very low	27.7	Very low	201 Å²	201	158.6 Å²	158.6	94%	0.939	80%	0.802	S	S	*	*			trans	-163.3	150.9	139.8	-111	159.2	-147.4	0	0	108.6
1156	K	25.8	Very low	27.7	Very low	183 Å²	183	156.9 Å²	156.9	80%	0.796	80%	0.798	S	S	*	*			trans	-159.2	123.9	-153.7	-162.8	-155.2	-179.7	-169	0	110.7
1157	L	25.9	Very low	27.7	Very low	143 Å²	143	159.3 Å²	159.3	75%	0.749	80%	0.803	S	S	*	*			trans	65.5	137.9	-171.1	-73.3	67.6	0	0	0	110.9
1158	N	28.9	Very low	27.6	Very low	158 Å²	158	155.8 Å²	155.8	85%	0.845	79%	0.793	S	S	*	*				-136.2	177.9	54	-147.7	6.2	0	0	0	115.9
1159	V	24.3	Very low	27.7	Very low	96 Å²	96	153.3 Å²	153.3	58%	0.582	79%	0.789	S	S	*	*			trans	-107.6	151.6	-157.4	163.8	0	0	0	0	112.8
1160	D	24.2	Very low	27.9	Very low	140 Å²	140	152.7 Å²	152.7	75%	0.749	78%	0.78	S	S	*	*			trans	66	152	161.5	-67.1	-18.4	0	0	0	123.1
1161	T	26.8	Very low	28.1	Very low	138 Å²	138	148.9 Å²	148.9	85%	0.847	76%	0.764	S	S	*	*			trans	68.3	142.1	166.6	22.3	0	0	0	0	117.2
1162	I	30.1	Very low	28.2	Very low	164 Å²	164	142.6 Å²	142.6	84%	0.841	74%	0.743	S	S	*	*			cis	-128.3	158.5	11.4	-64.4	-179.1	0	0	0	111.2
1163	H	27.1	Very low	28.5	Very low	151 Å²	151	141.4 Å²	141.4	70%	0.699	75%	0.745	S	S	*	*			trans	-103.2	165.1	-176.8	-151.5	-90.2	0	0	0	113.2
1164	N	26.1	Very low	29	Very low	136 Å²	136	136.9 Å²	136.9	73%	0.727	73%	0.733	S	S	*	*			trans	70.9	131.5	174.4	-45.9	-49.2	0	0	0	114.8
1165	T	27.7	Very low	29.4	Very low	129 Å²	129	130.9 Å²	130.9	79%	0.791	71%	0.706	S	S	*	*	S	Bend		-166.1	98	53.1	-66.6	0	0	0	0	111.1
1166	T	30.2	Very low	29.6	Very low	139 Å²	139	124.7 Å²	124.7	85%	0.853	68%	0.679	S	S	*	*			trans	-167.1	5.6	161.6	0.6	0	0	0	0	114.6	S1168	T1166-S1168 PolarHBondContact O-N 3.04Å
1167	L	26.3	Very low	30	Very low	148 Å²	148	119.5 Å²	119.5	78%	0.775	67%	0.666	S	S	*	*			trans	-88.5	63.6	-164.2	-159.8	80.6	0	0	0	113.6	I1171	L1167-I1171 HydrophobicContact CD1-CD1 4.02Å; L1167-I1171 HydrophobicContact CD2-CD1 4.04Å; L1167-I1171 HydrophobicContact CG-CD1 3.75Å
1168	S	27.4	Very low	30.5	Very low	93 Å²	93	117.3 Å²	117.3	65%	0.65	65%	0.654	S	S	*	*	S	Bend	trans	-130.3	-55.3	179.9	-168.1	0	0	0	0	113.9	T1166 F1170	T1166-S1168 PolarHBondContact O-N 3.04Å; S1168-F1170 PolarHBondContact O-N 3.36Å
1169	N	32.7	Very low	30.8	Very low	151 Å²	151	115.4 Å²	115.4	81%	0.807	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	9.6	-169.9	-74	-21.4	0	0	0	116.1
1170	F	31.3	Very low	31.3	Very low	152 Å²	152	116.4 Å²	116.4	67%	0.667	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	-13.4	-177.4	-152.5	-100	0	0	0	114.6	S1168	S1168-F1170 PolarHBondContact O-N 3.36Å
1171	I	31.9	Very low	31.9	Very low	96 Å²	96	114.9 Å²	114.9	49%	0.492	62%	0.621	S	S	.	*	S	Bend	trans	-92	-30.9	-168.4	-69.6	179.2	0	0	0	113.1	L1167 T1173 Q1174 A1175	L1167-I1171 HydrophobicContact CD1-CD1 4.02Å; L1167-I1171 HydrophobicContact CD2-CD1 4.04Å; L1167-I1171 HydrophobicContact CG-CD1 3.75Å; I1171-T1173 PolarHBondContact O-N 3.39Å; I1171-Q1174 PolarHBondContact O-N 3.25Å; I1171-A1175 WeakPolarHBondContact O-CB 3.49Å; I1171-A1175 PolarHBondContact O-N 3.36Å; I1171-A1175 VanDerWaalsContact O-N 3.08Å
1172	S	33	Very low	32.2	Very low	76 Å²	76	113.5 Å²	113.5	53%	0.531	60%	0.604	S	S	.	*	H	α-helix	trans	-61.1	-40.5	-178.3	50.7	0	0	0	0	113.4	A1175	S1172-A1175 PolarHBondContact O-N 3.04Å
1173	T	35.6	Very low	32.5	Very low	110 Å²	110	111.7 Å²	111.7	68%	0.675	59%	0.592	S	S	*	*	H	α-helix	trans	-76.8	-27.7	-175.7	-27.7	0	0	0	0	113.4	I1171	I1171-T1173 PolarHBondContact O-N 3.39Å
1174	Q	37.2	Very low	33	Very low	107 Å²	107	109.7 Å²	109.7	50%	0.5	58%	0.582	S	S	.	*	H	α-helix	trans	-81.9	-30.5	172.8	-70.9	-165.9	-9.8	0	0	112.3	I1171 N1176 S1177 I1178	I1171-Q1174 PolarHBondContact O-N 3.25Å; Q1174-N1176 PolarHBondContact O-N 3.41Å; Q1174-S1177 PolarHBondContact O-N 2.91Å; Q1174-I1178 HydrophobicContact CB-CD1 4.23Å; Q1174-I1178 WeakPolarHBondContact O-CB 3.49Å; Q1174-I1178 WeakPolarHBondContact O-CG1 3.5Å; Q1174-I1178 PolarHBondContact O-N 3.04Å
1175	A	33.6	Very low	33.4	Very low	37 Å²	37	107.3 Å²	107.3	31%	0.306	57%	0.566	S	S	.	*	H	α-helix	trans	-57.7	-40.8	-177.3	0	0	0	0	0	114	I1171 S1172 R1179	I1171-A1175 WeakPolarHBondContact O-CB 3.49Å; I1171-A1175 PolarHBondContact O-N 3.36Å; I1171-A1175 VanDerWaalsContact O-N 3.08Å; S1172-A1175 PolarHBondContact O-N 3.04Å; A1175-R1179 WeakPolarHBondContact O-CB 3.45Å; A1175-R1179 WeakPolarHBondContact O-CG 3.27Å; A1175-R1179 PolarHBondContact O-N 3.04Å
1176	N	34.6	Very low	33.6	Very low	71 Å²	71	104.9 Å²	104.9	38%	0.38	55%	0.548	S	S	.	.	H	α-helix	trans	-71.9	-40.4	178.2	-76.4	6.5	0	0	0	112.5	Q425 Q1174 I1178 R1179 Y1180	Q425-N1176 PolarHBondContact NE2-ND2 3.38Å; Q425-N1176 PolarHBondContact NE2-OD1 3.07Å; Q425-N1176 PolarHBondContact OE1-ND2 3.49Å; Q1174-N1176 PolarHBondContact O-N 3.41Å; N1176-I1178 VanDerWaalsContact C-N 3.31Å; N1176-I1178 PolarHBondContact O-N 3.18Å; N1176-R1179 PolarHBondContact O-N 3.09Å; N1176-Y1180 PolarHBondContact O-N 3.41Å
1177	S	35.7	Very low	33.7	Very low	74 Å²	74	102.7 Å²	102.7	52%	0.517	54%	0.538	S	S	.	.	H	α-helix	trans	-63.1	-39.2	175	-59.4	0	0	0	0	111.6	Q1174 L1181	Q1174-S1177 PolarHBondContact O-N 2.91Å; S1177-L1181 WeakPolarHBondContact O-CG 3.29Å; S1177-L1181 PolarHBondContact O-N 3.16Å
1178	I	35.9	Very low	34	Very low	97 Å²	97	103.1 Å²	103.1	50%	0.497	53%	0.534	S	S	.	.	H	α-helix	trans	-72.6	-41.1	177	-67.7	171.1	0	0	0	110.9	Q1174 N1176 Y1180 L1181 H1182	Q1174-I1178 HydrophobicContact CB-CD1 4.23Å; Q1174-I1178 WeakPolarHBondContact O-CB 3.49Å; Q1174-I1178 WeakPolarHBondContact O-CG1 3.5Å; Q1174-I1178 PolarHBondContact O-N 3.04Å; N1176-I1178 VanDerWaalsContact C-N 3.31Å; N1176-I1178 PolarHBondContact O-N 3.18Å; I1178-Y1180 PolarHBondContact O-N 2.95Å; I1178-L1181 PolarHBondContact O-N 2.91Å; I1178-H1182 WeakPolarHBondContact O-CB 3.23Å; I1178-H1182 PolarHBondContact O-N 3.27Å
1179	R	34.7	Very low	34	Very low	119 Å²	119	106.2 Å²	106.2	45%	0.449	53%	0.531	S	S	.	.	H	α-helix	trans	-57.3	-49.5	174.1	-83	177.2	171.9	163	-7	112.2	A1175 N1176 L1181 H1182 E1183	A1175-R1179 WeakPolarHBondContact O-CB 3.45Å; A1175-R1179 WeakPolarHBondContact O-CG 3.27Å; A1175-R1179 PolarHBondContact O-N 3.04Å; N1176-R1179 PolarHBondContact O-N 3.09Å; R1179-L1181 VanDerWaalsContact C-N 3.28Å; R1179-L1181 PolarHBondContact O-N 3.03Å; R1179-H1182 PolarHBondContact O-N 2.84Å; R1179-H1182 VanDerWaalsContact O-N 3.09Å; R1179-E1183 WeakPolarHBondContact O-CG 3.37Å; R1179-E1183 PolarHBondContact O-N 3.41Å
1180	Y	35.6	Very low	33.8	Very low	116 Å²	116	104.7 Å²	104.7	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-63.9	-30.3	179.5	-173.5	-113.4	0	0	0	113.4	N772 N1176 I1178 K1184	N772-Y1180 PolarHBondContact OD1-OH 3.18Å; N1176-Y1180 PolarHBondContact O-N 3.41Å; I1178-Y1180 PolarHBondContact O-N 2.95Å; Y1180-K1184 HydrophobicContact CE1-CD 4.46Å; Y1180-K1184 PolarHBondContact O-N 3.42Å; Y1180-K1184 PolarHBondContact OH-NZ 3.04Å
1181	L	35.6	Very low	33.7	Very low	109 Å²	109	101.7 Å²	101.7	57%	0.571	52%	0.517	S	S	*	.	H	α-helix	trans	-77.7	-36.6	171.6	-72.5	170.4	0	0	0	112.5	S1177 I1178 R1179 K1184 E1185	S1177-L1181 WeakPolarHBondContact O-CG 3.29Å; S1177-L1181 PolarHBondContact O-N 3.16Å; I1178-L1181 PolarHBondContact O-N 2.91Å; R1179-L1181 VanDerWaalsContact C-N 3.28Å; R1179-L1181 PolarHBondContact O-N 3.03Å; L1181-K1184 CarbonylContact O-C 3.58Å; L1181-K1184 PolarHBondContact O-N 3.2Å; L1181-E1185 PolarHBondContact O-N 2.9Å
1182	H	33	Very low	33.5	Very low	109 Å²	109	105.3 Å²	105.3	51%	0.505	53%	0.532	S	S	.	.	H	α-helix	trans	-70.6	-37.1	-179.4	-157.4	-105.3	0	0	0	111.6	I1178 R1179 E1185 L1186	I1178-H1182 WeakPolarHBondContact O-CB 3.23Å; I1178-H1182 PolarHBondContact O-N 3.27Å; R1179-H1182 PolarHBondContact O-N 2.84Å; R1179-H1182 VanDerWaalsContact O-N 3.09Å; H1182-E1185 PolarHBondContact O-N 3.25Å; H1182-L1186 WeakPolarHBondContact ND1-CD1 3.46Å; H1182-L1186 VanDerWaalsContact O-CB 3.31Å; H1182-L1186 WeakPolarHBondContact O-CB 3.15Å; H1182-L1186 VanDerWaalsContact O-CG 3.27Å; H1182-L1186 WeakPolarHBondContact O-CG 3.44Å; H1182-L1186 PolarHBondContact O-N 3.29Å
1183	E	37.1	Very low	33.2	Very low	126 Å²	126	111 Å²	111	59%	0.589	55%	0.547	S	S	*	.	H	α-helix	trans	-66.5	-38.1	172	-71.3	169.2	177.7	0	0	111.9	R1179 L1186 S1187	R1179-E1183 WeakPolarHBondContact O-CG 3.37Å; R1179-E1183 PolarHBondContact O-N 3.41Å; E1183-L1186 PolarHBondContact O-N 2.88Å; E1183-S1187 WeakPolarHBondContact O-CB 3.22Å; E1183-S1187 PolarHBondContact O-N 3.25Å
1184	K	38.5	Very low	32.9	Very low	109 Å²	109	113.4 Å²	113.4	47%	0.474	55%	0.551	S	S	.	*	H	α-helix	trans	-71.9	-23.8	172.6	-94.8	173.1	170.6	169.1	0	114.1	Y1180 L1181	Y1180-K1184 HydrophobicContact CE1-CD 4.46Å; Y1180-K1184 PolarHBondContact O-N 3.42Å; Y1180-K1184 PolarHBondContact OH-NZ 3.04Å; L1181-K1184 CarbonylContact O-C 3.58Å; L1181-K1184 PolarHBondContact O-N 3.2Å
1185	E	34.5	Very low	32.4	Very low	85 Å²	85	117.8 Å²	117.8	40%	0.397	57%	0.568	S	S	.	*	H	α-helix	trans	-81.2	-39.2	169.3	-83	-111.4	100.6	0	0	112.3	L1181 H1182 K1188 R1189	L1181-E1185 PolarHBondContact O-N 2.9Å; H1182-E1185 PolarHBondContact O-N 3.25Å; E1185-K1188 CarbonylContact O-C 3.23Å; E1185-K1188 WeakPolarHBondContact O-CA 3.5Å; E1185-K1188 WeakPolarHBondContact O-CB 3.44Å; E1185-K1188 PolarHBondContact O-N 3.14Å; E1185-R1189 PolarHBondContact O-N 2.74Å; E1185-R1189 VanDerWaalsContact O-N 3.07Å; E1185-R1189 IonicContact OE1-CZ 2.77Å; E1185-R1189 IonicContact OE1-NH1 2.62Å; E1185-R1189 IonicContact OE1-NH2 2.96Å; E1185-R1189 PolarHBondContact OE1-NH2 3.1Å; E1185-R1189 IonicContact OE2-CZ 3.68Å; E1185-R1189 IonicContact OE2-NH1 2.65Å; E1185-R1189 PolarHBondContact OE2-NH1 3.48Å; E1185-R1189 IonicContact OE2-NH2 3.94Å; E1185-R1189 PolarHBondContact OE2-NH2 2.77Å
1186	L	31.5	Very low	32	Very low	78 Å²	78	123.7 Å²	123.7	41%	0.408	59%	0.593	S	S	.	*	H	α-helix	trans	-64.9	-45	178.2	-79.5	166.5	0	0	0	111.5	H1182 E1183 K1188 R1189 Q1190	H1182-L1186 WeakPolarHBondContact ND1-CD1 3.46Å; H1182-L1186 VanDerWaalsContact O-CB 3.31Å; H1182-L1186 WeakPolarHBondContact O-CB 3.15Å; H1182-L1186 VanDerWaalsContact O-CG 3.27Å; H1182-L1186 WeakPolarHBondContact O-CG 3.44Å; H1182-L1186 PolarHBondContact O-N 3.29Å; E1183-L1186 PolarHBondContact O-N 2.88Å; L1186-K1188 PolarHBondContact O-N 2.82Å; L1186-R1189 PolarHBondContact O-N 2.96Å; L1186-Q1190 PolarHBondContact O-N 3.46Å
1187	S	31.6	Very low	31.6	Very low	94 Å²	94	127 Å²	127	66%	0.657	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-4.6	170.8	-175.6	0	0	0	0	113.8	E1183	E1183-S1187 WeakPolarHBondContact O-CB 3.22Å; E1183-S1187 PolarHBondContact O-N 3.25Å
1188	K	33.7	Very low	31.2	Very low	156 Å²	156	130.3 Å²	130.3	68%	0.678	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	2.9	170	-74.9	-175.3	172.9	-175.1	0	113.8	E1185 L1186	E1185-K1188 CarbonylContact O-C 3.23Å; E1185-K1188 WeakPolarHBondContact O-CA 3.5Å; E1185-K1188 WeakPolarHBondContact O-CB 3.44Å; E1185-K1188 PolarHBondContact O-N 3.14Å; L1186-K1188 PolarHBondContact O-N 2.82Å
1189	R	27.7	Very low	30.8	Very low	159 Å²	159	132.6 Å²	132.6	60%	0.6	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	-17.8	176.4	-70.5	-172.7	-179.5	128.9	16.4	114.3	E1185 L1186 S1191	E1185-R1189 PolarHBondContact O-N 2.74Å; E1185-R1189 VanDerWaalsContact O-N 3.07Å; E1185-R1189 IonicContact OE1-CZ 2.77Å; E1185-R1189 IonicContact OE1-NH1 2.62Å; E1185-R1189 IonicContact OE1-NH2 2.96Å; E1185-R1189 PolarHBondContact OE1-NH2 3.1Å; E1185-R1189 IonicContact OE2-CZ 3.68Å; E1185-R1189 IonicContact OE2-NH1 2.65Å; E1185-R1189 PolarHBondContact OE2-NH1 3.48Å; E1185-R1189 IonicContact OE2-NH2 3.94Å; E1185-R1189 PolarHBondContact OE2-NH2 2.77Å; L1186-R1189 PolarHBondContact O-N 2.96Å; R1189-S1191 PolarHBondContact O-N 2.73Å
1190	Q	27.9	Very low	30.4	Very low	118 Å²	118	134.7 Å²	134.7	55%	0.551	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	58.4	170.3	-80.6	-178.4	-65	0	0	113.6	E463 L1186	E463-Q1190 PolarHBondContact OE1-NE2 2.71Å; L1186-Q1190 PolarHBondContact O-N 3.46Å
1191	S	29.3	Very low	30	Very low	90 Å²	90	136.4 Å²	136.4	63%	0.629	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.5	20.5	160.4	86.1	0	0	0	0	114.1	R1189	R1189-S1191 PolarHBondContact O-N 2.73Å
1192	H	28.2	Very low	29.6	Very low	172 Å²	172	140.5 Å²	140.5	80%	0.796	68%	0.676	S	S	*	*	S	Bend	trans	-144.6	21.2	172.7	-136.7	69.7	0	0	0	116.6
1193	F	26.2	Very low	29.3	Very low	194 Å²	194	143 Å²	143	85%	0.851	69%	0.687	S	S	*	*	S	Bend	trans	-138.9	141.7	149.3	-86.3	-95.2	0	0	0	105.2
1194	E	28.9	Very low	28.7	Very low	162 Å²	162	143.8 Å²	143.8	76%	0.757	70%	0.695	S	S	*	*			cis	-104	141.2	3.7	-59.5	-168.1	130.2	0	0	113.5
1195	K	25.8	Very low	28.1	Very low	198 Å²	198	144.9 Å²	144.9	86%	0.861	71%	0.705	S	S	*	*			trans	-146	55.7	163.2	-159.9	179	-175.1	176.6	0	111.5
1196	I	25.6	Very low	27.8	Very low	162 Å²	162	147.2 Å²	147.2	83%	0.831	72%	0.72	S	S	*	*			trans	-157.4	72	167	-90.3	136.3	0	0	0	109.7
1197	I	26.5	Very low	27.6	Very low	140 Å²	140	154.7 Å²	154.7	72%	0.718	74%	0.742	S	S	*	*	S	Bend	trans	-155.9	117.7	149.9	-62.9	-168	0	0	0	105.2
1198	I	28.6	Very low	27.7	Very low	143 Å²	143	154.8 Å²	154.8	73%	0.733	74%	0.741	S	S	*	*			cis	-125	136.5	-23.5	-81.7	152.8	0	0	0	105.8
1199	D	26.5	Very low	27.5	Very low	146 Å²	146	153.8 Å²	153.8	78%	0.781	74%	0.743	S	S	*	*			trans	-108	141.3	151.2	-173.4	13.8	0	0	0	107.7
1200	K	25.5	Very low	27.4	Very low	162 Å²	162	155 Å²	155	70%	0.704	75%	0.753	S	S	*	*			trans	63.4	100.2	-171	-52.4	176.6	-174.9	178.3	0	115.4
1201	N	27.8	Very low	27.4	Very low	152 Å²	152	156.7 Å²	156.7	81%	0.813	77%	0.765	S	S	*	*				-143.5	94.8	96.7	-110	-17.4	0	0	0	112	Q1203	N1201-Q1203 PolarHBondContact O-N 3.19Å
1202	K	27.3	Very low	27.6	Very low	196 Å²	196	158.2 Å²	158.2	85%	0.852	77%	0.773	S	S	*	*			trans	-73	113	154.6	-75.2	178.6	178.6	174.6	0	107.2
1203	Q	26	Very low	27.5	Very low	161 Å²	161	154.7 Å²	154.7	75%	0.752	76%	0.763	S	S	*	*			trans	-169.8	132.9	143.6	-111.9	169	88.2	0	0	112.6	N1201	N1201-Q1203 PolarHBondContact O-N 3.19Å
1204	L	25.7	Very low	27.5	Very low	143 Å²	143	152.6 Å²	152.6	75%	0.749	76%	0.759	S	S	*	*			trans	65.9	150.9	153	-52.2	171	0	0	0	119.3
1205	I	26	Very low	27.5	Very low	132 Å²	132	148.4 Å²	148.4	68%	0.677	76%	0.76	S	S	*	*			cis	-156.8	157.4	-46.5	-135.7	175.5	0	0	0	108.9
1206	N	27	Very low	27.6	Very low	134 Å²	134	147.4 Å²	147.4	72%	0.717	76%	0.755	S	S	*	*			trans	49	109.2	163.7	-62.7	-12.7	0	0	0	121.2
1207	R	28.8	Very low	27.7	Very low	234 Å²	234	146.3 Å²	146.3	88%	0.883	75%	0.749	S	S	*	*				21.7	158.4	99.8	-85.9	-174.3	178.5	-173.8	0.4	119.1
1208	P	33.9	Very low	27.8	Very low	97 Å²	97	147.9 Å²	147.9	63%	0.63	75%	0.751	S	S	*	*			cis	-144.6	-168.2	-8.5	30.8	-5.6	0	0	0	115.6
1209	N	27.5	Very low	27.8	Very low	134 Å²	134	145.9 Å²	145.9	72%	0.717	75%	0.75	S	S	*	*			trans	112.7	131.6	135.1	-79.5	-18.5	0	0	0	122.1
1210	K	27.5	Very low	27.9	Very low	186 Å²	186	143.3 Å²	143.3	81%	0.809	75%	0.749	S	S	*	*			trans	78.1	100.2	145.2	-73	176.4	178.8	-176.4	0	121.5
1211	L	27.9	Very low	28.1	Very low	153 Å²	153	140.4 Å²	140.4	80%	0.801	75%	0.749	S	S	*	*				-45.8	146.6	129.8	-87.9	75.6	0	0	0	110.7
1212	P	32.4	Very low	28.1	Very low	122 Å²	122	137.7 Å²	137.7	79%	0.792	74%	0.742	S	S	*	*				-148.9	-174.1	80.6	35.8	-15.3	0	0	0	116.3
1213	T	26.7	Very low	28.2	Very low	98 Å²	98	136 Å²	136	60%	0.601	74%	0.737	S	S	*	*			cis	-177.8	143.8	-45.7	-81.2	0	0	0	0	109.3
1214	I	26.3	Very low	28.3	Very low	150 Å²	150	136 Å²	136	77%	0.769	74%	0.736	S	S	*	*			trans	73.3	134.2	169.1	-77.7	162.1	0	0	0	117.8
1215	G	28.5	Very low	28.3	Very low	74 Å²	74	133.6 Å²	133.6	76%	0.763	73%	0.732	S	S	*	*			trans	-157	-9.6	179.6	0	0	0	0	0	118.8
1216	K	28.4	Very low	28.4	Very low	176 Å²	176	135.3 Å²	135.3	77%	0.765	74%	0.742	S	S	*	*			trans	53.5	139.8	158	-85.3	179.9	176.1	177.8	0	122
1217	I	27.5	Very low	28.4	Very low	139 Å²	139	134.9 Å²	134.9	71%	0.713	74%	0.744	S	S	*	*			trans	80.3	131.6	141.7	-73.8	170	0	0	0	116.5
1218	K	28.9	Very low	28.4	Very low	174 Å²	174	131.2 Å²	131.2	76%	0.757	74%	0.737	S	S	*	*			cis	-150.8	167.1	3.1	-128	175.2	-163.8	176.5	0	113.9
1219	S	27.4	Very low	28.1	Very low	100 Å²	100	135.9 Å²	135.9	70%	0.699	75%	0.75	S	S	*	*			trans	-27.9	160.1	157	57.5	0	0	0	0	117.4
1220	A	30	Very low	27.9	Very low	93 Å²	93	133.1 Å²	133.1	77%	0.769	74%	0.741	S	S	*	*			cis	-158.8	178.7	24.8	0	0	0	0	0	111.2
1221	S	28.9	Very low	27.8	Very low	100 Å²	100	130.4 Å²	130.4	70%	0.699	74%	0.74	S	S	*	*			cis	-159.3	149.5	-1.5	40.6	0	0	0	0	110.8
1222	S	28	Very low	27.7	Very low	95 Å²	95	130.5 Å²	130.5	66%	0.664	74%	0.741	S	S	*	*			trans	51	123.5	150.3	53.9	0	0	0	0	120.7
1223	H	28.1	Very low	27.3	Very low	162 Å²	162	132.2 Å²	132.2	75%	0.75	74%	0.742	S	S	*	*				67.7	144.2	60.2	-68	-30.5	0	0	0	113.3
1224	Q	28.4	Very low	27.2	Very low	159 Å²	159	133.4 Å²	133.4	74%	0.743	75%	0.749	S	S	*	*			cis	-162.5	177	5.4	-111.9	153	14.4	0	0	106.7
1225	S	26.7	Very low	27.2	Very low	94 Å²	94	133 Å²	133	66%	0.657	75%	0.748	S	S	*	*			cis	-158.3	158.6	-6.7	37.9	0	0	0	0	107.1
1226	L	26.8	Very low	27.1	Very low	167 Å²	167	133.8 Å²	133.8	87%	0.874	73%	0.732	S	S	*	*			cis	74.3	84.6	28.2	-75	167.5	0	0	0	116.8
1227	T	28.3	Very low	26.9	Very low	126 Å²	126	130.1 Å²	130.1	77%	0.773	72%	0.72	S	S	*	*			trans	-140.9	130.7	151.5	46.6	0	0	0	0	108.5
1228	H	28.4	Very low	26.8	Very low	157 Å²	157	127.6 Å²	127.6	73%	0.727	71%	0.708	S	S	*	*			cis	-143.2	131.9	-3.5	-125.1	-87.8	0	0	0	109.9	S1230	H1228-S1230 PolarHBondContact ND1-OG 2.82Å
1229	Q	26.9	Very low	26.7	Very low	194 Å²	194	124.5 Å²	124.5	91%	0.907	70%	0.704	S	S	*	*			trans	-96.7	116.8	154.4	-92.6	-169.8	-20.9	0	0	107.7
1230	S	24.2	Very low	26.7	Very low	77 Å²	77	127.2 Å²	127.2	54%	0.538	71%	0.711	S	S	.	*			trans	-161.6	146.5	172	-64.2	0	0	0	0	111.2	H1228	H1228-S1230 PolarHBondContact ND1-OG 2.82Å
1231	T	25.5	Very low	26.5	Very low	128 Å²	128	128.8 Å²	128.8	79%	0.785	70%	0.698	S	S	*	*			trans	57.3	140.8	156.8	51.3	0	0	0	0	120.3
1232	L	24.9	Very low	26.3	Very low	156 Å²	156	130.3 Å²	130.3	82%	0.817	70%	0.697	S	S	*	*			cis	-159.9	171.5	-33	-145.1	117.6	0	0	0	108.1
1233	I	25.1	Very low	26.3	Very low	157 Å²	157	137 Å²	137	81%	0.805	71%	0.707	S	S	*	*			trans	-75.3	128.1	171.5	-63.1	163.6	0	0	0	109.8
1234	V	23.8	Very low	26.2	Very low	123 Å²	123	135.3 Å²	135.3	75%	0.745	70%	0.697	S	S	*	*			trans	-170.5	156.2	148.7	134.8	0	0	0	0	109.3
1235	D	25.8	Very low	26.3	Very low	142 Å²	142	132.8 Å²	132.8	76%	0.759	69%	0.688	S	S	*	*			trans	56.4	85	172.6	-69.2	-2	0	0	0	118.9
1236	Q	27.2	Very low	26.3	Very low	90 Å²	90	133 Å²	133	42%	0.421	69%	0.688	S	S	.	*			trans	-67.5	122.8	153.1	-56.9	166.1	-73.6	0	0	109.9	F864 T868	F864-Q1236 HydrophobicContact CD1-CB 4.25Å; F864-Q1236 HydrophobicContact CE1-CB 4.48Å; T868-Q1236 PolarHBondContact OG1-OE1 3.08Å
1237	L	23.5	Very low	26.7	Very low	100 Å²	100	129.8 Å²	129.8	52%	0.524	68%	0.675	S	S	.	*			trans	-168.9	114.1	143.3	-107.4	168	0	0	0	113.1	L861 N865	L861-L1237 HydrophobicContact CD2-CD2 3.52Å; N865-L1237 WeakPolarHBondContact OD1-CD2 3.33Å
1238	D	25.2	Very low	26.8	Very low	85 Å²	85	129.5 Å²	129.5	46%	0.455	66%	0.66	S	S	.	*			trans	41.2	80.2	150.6	-154.5	9.6	0	0	0	120	L861	L861-D1238 HydrophobicContact CD2-CB 4.31Å
1239	T	26.8	Very low	27	Very low	109 Å²	109	129.1 Å²	129.1	67%	0.669	66%	0.657	S	S	*	*			trans	-122.7	-1	165.2	43	0	0	0	0	114.6	Y1241	T1239-Y1241 PolarHBondContact O-N 3.18Å
1240	N	27.4	Very low	27.4	Very low	157 Å²	157	125.5 Å²	125.5	84%	0.84	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	6.5	-173.5	-75.7	-34.8	0	0	0	115.1
1241	Y	25.9	Very low	27.8	Very low	127 Å²	127	127.3 Å²	127.3	50%	0.498	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.8	5.6	176.2	-132.2	-93.5	0	0	0	114.3	I897 T1239	I897-Y1241 HydrophobicContact CD1-CD1 4.46Å; I897-Y1241 HydrophobicContact CD1-CE1 4.22Å; T1239-Y1241 PolarHBondContact O-N 3.18Å
1242	I	26.3	Very low	28.3	Very low	132 Å²	132	123 Å²	123	68%	0.677	61%	0.611	S	S	*	*			trans	-121.3	53.6	-173.3	-41.7	-179.5	0	0	0	112
1243	R	27.3	Very low	28.8	Very low	236 Å²	236	118.5 Å²	118.5	89%	0.891	59%	0.588	S	S	*	*	S	Bend	trans	-129.2	18.5	168.8	-74.2	-169.8	175.3	-172.4	-1.4	114.5
1244	K	26.7	Very low	29.3	Very low	125 Å²	125	119 Å²	119	54%	0.543	58%	0.584	S	S	.	*	S	Bend	trans	-132.9	44.6	176.3	-76.9	-167.2	169.4	-169.6	0	113.8	P896 I897	P896-K1244 PolarHBondContact O-NZ 2.75Å; I897-K1244 HydrophobicContact CB-CB 4.34Å; I897-K1244 HydrophobicContact CD1-CB 4.33Å; I897-K1244 HydrophobicContact CG2-CB 4.46Å; I897-K1244 WeakPolarHBondContact CG2-O 3.31Å
1245	I	28.7	Very low	30	Very low	106 Å²	106	115 Å²	115	54%	0.544	56%	0.558	S	S	.	*	S	Bend	trans	-137.9	132	171	-61	-177.2	0	0	0	107.8
1246	P	28.2	Very low	30.2	Very low	100 Å²	100	112.7 Å²	112.7	65%	0.649	54%	0.542	S	S	*	.			trans	-71.3	135.3	-169.2	27.3	-35.5	0	0	0	113.4
1247	T	34.2	Very low	30.5	Very low	99 Å²	99	114.3 Å²	114.3	61%	0.607	55%	0.552	S	S	*	*			trans	-123.7	67.6	-170	43.5	0	0	0	0	114	K1249 N1250	T1247-K1249 PolarHBondContact O-N 3.17Å; T1247-N1250 PolarHBondContact O-N 3.38Å
1248	Y	29.8	Very low	30.9	Very low	119 Å²	119	116.4 Å²	116.4	47%	0.467	56%	0.564	S	S	.	*	H	α-helix	trans	-40.8	-21.5	160.1	-113.1	-132.4	0	0	0	114.5	L1006 I1252	L1006-Y1248 PolarHBondContact O-OH 3.09Å; Y1248-I1252 WeakPolarHBondContact O-CG1 3.3Å; Y1248-I1252 PolarHBondContact O-N 2.87Å
1249	K	33	Very low	31.3	Very low	149 Å²	149	116.6 Å²	116.6	65%	0.648	56%	0.564	S	S	*	*	H	α-helix	trans	-68.3	-41.8	-177.8	-162.9	173.1	-179.5	-175.7	0	113.9	T1247 Y1251 I1252 D1253	T1247-K1249 PolarHBondContact O-N 3.17Å; K1249-Y1251 VanDerWaalsContact C-N 3.34Å; K1249-Y1251 PolarHBondContact O-N 3.25Å; K1249-I1252 PolarHBondContact O-N 2.98Å; K1249-D1253 PolarHBondContact O-N 3.28Å
1250	N	35.2	Very low	31.4	Very low	118 Å²	118	117.7 Å²	117.7	63%	0.631	56%	0.564	S	S	*	*	H	α-helix	trans	-70.9	-31.6	179.2	-81.8	11.4	0	0	0	112.1	T1247 D1253 K1254	T1247-N1250 PolarHBondContact O-N 3.38Å; N1250-D1253 PolarHBondContact O-N 3.09Å; N1250-K1254 PolarHBondContact O-N 3.12Å
1251	Y	34.1	Very low	31.6	Very low	116 Å²	116	118.4 Å²	118.4	46%	0.455	56%	0.563	S	S	.	*	H	α-helix	trans	-64.2	-47.9	173.5	-162.1	-111.1	0	0	0	110.6	L1006 K1249 D1253 K1254 I1255	L1006-Y1251 HydrophobicContact CB-CE1 4.48Å; K1249-Y1251 VanDerWaalsContact C-N 3.34Å; K1249-Y1251 PolarHBondContact O-N 3.25Å; Y1251-D1253 VanDerWaalsContact C-N 3.34Å; Y1251-D1253 PolarHBondContact O-N 2.91Å; Y1251-K1254 PolarHBondContact O-N 3.16Å; Y1251-I1255 HydrophobicContact CD1-CD1 3.52Å; Y1251-I1255 HydrophobicContact CE1-CD1 3.4Å; Y1251-I1255 HydrophobicContact CE2-CD1 4.46Å; Y1251-I1255 HydrophobicContact CG-CD1 4.12Å; Y1251-I1255 WeakPolarHBondContact O-CB 3.4Å; Y1251-I1255 VanDerWaalsContact O-CG1 3.26Å; Y1251-I1255 WeakPolarHBondContact O-CG1 3.37Å; Y1251-I1255 PolarHBondContact O-N 3.03Å
1252	I	35	Very low	31.7	Very low	38 Å²	38	121.9 Å²	121.9	20%	0.195	58%	0.581	C	S	.	*	H	α-helix	trans	-58.9	-41.3	174	-73.5	170.8	0	0	0	112.1	Y1248 K1249 I1255 K1256	Y1248-I1252 WeakPolarHBondContact O-CG1 3.3Å; Y1248-I1252 PolarHBondContact O-N 2.87Å; K1249-I1252 PolarHBondContact O-N 2.98Å; I1252-I1255 PolarHBondContact O-N 3.23Å; I1252-K1256 HydrophobicContact CG2-CD 4.33Å; I1252-K1256 VanDerWaalsContact CG2-CE 3.46Å; I1252-K1256 VanDerWaalsContact O-CG 3.31Å; I1252-K1256 WeakPolarHBondContact O-CG 3.38Å; I1252-K1256 PolarHBondContact O-N 3.07Å
1253	D	35.4	Very low	31.8	Very low	61 Å²	61	122.6 Å²	122.6	33%	0.326	59%	0.586	S	S	.	*	H	α-helix	trans	-79.5	-27.7	-176.2	-67.1	-25.5	0	0	0	113.4	K1249 N1250 Y1251 K1256	K1249-D1253 PolarHBondContact O-N 3.28Å; N1250-D1253 PolarHBondContact O-N 3.09Å; Y1251-D1253 VanDerWaalsContact C-N 3.34Å; Y1251-D1253 PolarHBondContact O-N 2.91Å; D1253-K1256 WeakPolarHBondContact OD1-CD 3.45Å; D1253-K1256 WeakPolarHBondContact OD1-CE 3.41Å; D1253-K1256 IonicContact OD1-NZ 3.53Å; D1253-K1256 PolarHBondContact OD1-NZ 3.26Å
1254	K	36.3	Very low	32	Very low	168 Å²	168	120.7 Å²	120.7	73%	0.73	59%	0.587	S	S	*	*	H	α-helix	trans	-66.2	-44.9	164.1	-103.7	-171.4	173.1	-173.3	0	111.8	N1250 Y1251 K1256 L1257 N1258	N1250-K1254 PolarHBondContact O-N 3.12Å; Y1251-K1254 PolarHBondContact O-N 3.16Å; K1254-K1256 VanDerWaalsContact C-N 3.3Å; K1254-K1256 PolarHBondContact O-N 3.1Å; K1254-L1257 PolarHBondContact O-N 3.04Å; K1254-L1257 VanDerWaalsContact O-N 3.13Å; K1254-N1258 PolarHBondContact O-N 3.33Å
1255	I	37.7	Very low	32.1	Very low	39 Å²	39	118.4 Å²	118.4	20%	0.2	60%	0.599	C	S	.	*	H	α-helix	trans	-66.9	-31.3	-178.5	-70.2	170.4	0	0	0	111.9	Y1002 Y1251 I1252 L1257 I1259	Y1002-I1255 HydrophobicContact CE1-CG2 3.55Å; Y1002-I1255 HydrophobicContact CE2-CG2 4.42Å; Y1002-I1255 VanDerWaalsContact CZ-CG2 3.45Å; Y1002-I1255 WeakPolarHBondContact OH-CG2 3.39Å; Y1251-I1255 HydrophobicContact CD1-CD1 3.52Å; Y1251-I1255 HydrophobicContact CE1-CD1 3.4Å; Y1251-I1255 HydrophobicContact CE2-CD1 4.46Å; Y1251-I1255 HydrophobicContact CG-CD1 4.12Å; Y1251-I1255 WeakPolarHBondContact O-CB 3.4Å; Y1251-I1255 VanDerWaalsContact O-CG1 3.26Å; Y1251-I1255 WeakPolarHBondContact O-CG1 3.37Å; Y1251-I1255 PolarHBondContact O-N 3.03Å; I1252-I1255 PolarHBondContact O-N 3.23Å; I1255-L1257 VanDerWaalsContact C-N 3.31Å; I1255-L1257 PolarHBondContact O-N 3.35Å; I1255-I1259 HydrophobicContact CG2-CD1 3.76Å; I1255-I1259 WeakPolarHBondContact O-CD1 3.33Å; I1255-I1259 WeakPolarHBondContact O-CG1 3.2Å
1256	K	30.2	Very low	32	Very low	93 Å²	93	120.2 Å²	120.2	40%	0.404	61%	0.61	S	S	.	*	H	α-helix	trans	-62.1	-32.9	171.5	-78.3	170.6	-169	160.9	0	113.7	I1252 D1253 K1254 I1260	I1252-K1256 HydrophobicContact CG2-CD 4.33Å; I1252-K1256 VanDerWaalsContact CG2-CE 3.46Å; I1252-K1256 VanDerWaalsContact O-CG 3.31Å; I1252-K1256 WeakPolarHBondContact O-CG 3.38Å; I1252-K1256 PolarHBondContact O-N 3.07Å; D1253-K1256 WeakPolarHBondContact OD1-CD 3.45Å; D1253-K1256 WeakPolarHBondContact OD1-CE 3.41Å; D1253-K1256 IonicContact OD1-NZ 3.53Å; D1253-K1256 PolarHBondContact OD1-NZ 3.26Å; K1254-K1256 VanDerWaalsContact C-N 3.3Å; K1254-K1256 PolarHBondContact O-N 3.1Å; K1256-I1260 WeakPolarHBondContact O-CD1 3.41Å; K1256-I1260 WeakPolarHBondContact O-CG1 3.5Å
1257	L	33.2	Very low	32.1	Very low	124 Å²	124	120.3 Å²	120.3	65%	0.649	61%	0.613	S	S	*	*	H	α-helix	trans	-72.4	-40.9	-179.6	-79.8	162.7	0	0	0	111.8	K1254 I1255 I1259 I1260	K1254-L1257 PolarHBondContact O-N 3.04Å; K1254-L1257 VanDerWaalsContact O-N 3.13Å; I1255-L1257 VanDerWaalsContact C-N 3.31Å; I1255-L1257 PolarHBondContact O-N 3.35Å; L1257-I1259 PolarHBondContact O-N 2.82Å; L1257-I1259 VanDerWaalsContact O-N 3.16Å; L1257-I1260 PolarHBondContact O-N 3.34Å
1258	N	33.2	Very low	31.9	Very low	143 Å²	143	124.9 Å²	124.9	77%	0.765	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-1.5	178.8	-70.5	6	0	0	0	114.3	K1254	K1254-N1258 PolarHBondContact O-N 3.33Å
1259	I	32	Very low	31.7	Very low	89 Å²	89	125.9 Å²	125.9	46%	0.456	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.1	1.8	-177.7	-72.1	176.2	0	0	0	112.3	Y1002 I1255 L1257	Y1002-I1259 HydrophobicContact CE2-CD1 3.53Å; Y1002-I1259 WeakPolarHBondContact OH-CD1 3.16Å; I1255-I1259 HydrophobicContact CG2-CD1 3.76Å; I1255-I1259 WeakPolarHBondContact O-CD1 3.33Å; I1255-I1259 WeakPolarHBondContact O-CG1 3.2Å; L1257-I1259 PolarHBondContact O-N 2.82Å; L1257-I1259 VanDerWaalsContact O-N 3.16Å
1260	I	30.3	Very low	31.4	Very low	132 Å²	132	128.1 Å²	128.1	68%	0.677	65%	0.649	S	S	*	*	S	Bend	trans	-98	-7.1	-179.3	-70.5	170.7	0	0	0	112.7	K1256 L1257	K1256-I1260 WeakPolarHBondContact O-CD1 3.41Å; K1256-I1260 WeakPolarHBondContact O-CG1 3.5Å; L1257-I1260 PolarHBondContact O-N 3.34Å
1261	Q	31.8	Very low	31.1	Very low	172 Å²	172	131.6 Å²	131.6	80%	0.804	66%	0.661	S	S	*	*	S	Bend	trans	-104.9	5.2	-172.1	-110.9	-179.7	-11.2	0	0	117.2
1262	F	28.2	Very low	30.9	Very low	201 Å²	201	132.5 Å²	132.5	88%	0.882	67%	0.673	S	S	*	*			trans	-132.6	86.5	172.6	-94.3	-86.3	0	0	0	111.6
1263	N	26.3	Very low	30.5	Very low	146 Å²	146	138 Å²	138	78%	0.781	70%	0.698	S	S	*	*			trans	-153	63.3	174	-100.8	-34.1	0	0	0	110.6
1264	E	31.7	Very low	30.3	Very low	196 Å²	196	143.5 Å²	143.5	92%	0.916	72%	0.721	S	S	*	*			trans	-168.5	160.5	160.4	-115.9	160.2	-140.8	0	0	111.4
1265	G	28.9	Very low	30	Very low	77 Å²	77	143.5 Å²	143.5	79%	0.794	72%	0.724	S	S	*	*			trans	77.7	78.4	159.2	0	0	0	0	0	117.9
1266	D	27.9	Very low	29.7	Very low	144 Å²	144	147.7 Å²	147.7	77%	0.77	74%	0.74	S	S	*	*			trans	-52.1	155.7	158.8	-96.4	-64.4	0	0	0	113.5
1267	S	29.5	Very low	30	Very low	102 Å²	102	145.9 Å²	145.9	71%	0.713	74%	0.739	S	S	*	*				138.8	75.9	124.1	65.7	0	0	0	0	116.8
1268	H	30.3	Very low	30.1	Very low	196 Å²	196	145.1 Å²	145.1	91%	0.907	74%	0.736	S	S	*	*			trans	-159.9	83.6	134.3	-113.8	-72.8	0	0	0	112.5
1269	L	26.4	Very low	30.3	Very low	140 Å²	140	145.9 Å²	145.9	73%	0.733	73%	0.734	S	S	*	*			trans	-78.7	121.4	167.1	-73.7	98	0	0	0	110.7
1270	K	26.9	Very low	30.6	Very low	195 Å²	195	145.4 Å²	145.4	85%	0.848	73%	0.733	S	S	*	*	S	Bend	trans	-179.8	96.2	137.8	-100.2	158.3	-176.1	179.3	0	111.1
1271	H	27.9	Very low	31	Very low	191 Å²	191	145.3 Å²	145.3	88%	0.884	73%	0.727	S	S	*	*	S	Bend	trans	166.3	-13.4	144.9	-96.9	-69.9	0	0	0	112.4	H1273	H1271-H1273 PolarHBondContact O-N 3.36Å
1272	I	29.5	Very low	31.4	Very low	136 Å²	136	142 Å²	142	70%	0.697	72%	0.715	S	S	*	*			trans	-70.6	91.3	175.6	-54	170.6	0	0	0	110.8
1273	H	27.9	Very low	31.8	Very low	154 Å²	154	139 Å²	139	71%	0.713	70%	0.699	S	S	*	*			trans	-136.2	-8	174.7	-129.8	-79.2	0	0	0	116.8	H1271	H1271-H1273 PolarHBondContact O-N 3.36Å
1274	H	30.3	Very low	32.8	Very low	175 Å²	175	138.1 Å²	138.1	81%	0.81	69%	0.688	S	S	*	*	S	Bend	trans	-94.1	-36	-175.6	-121.3	-114.8	0	0	0	115.4	K1276 S1277	H1274-K1276 VanDerWaalsContact C-N 3.25Å; H1274-K1276 PolarHBondContact O-N 3.08Å; H1274-S1277 VanDerWaalsContact O-CB 3.28Å; H1274-S1277 WeakPolarHBondContact O-CB 3.31Å; H1274-S1277 PolarHBondContact O-N 3.31Å; H1274-S1277 VanDerWaalsContact O-N 3.15Å
1275	E	30.8	Very low	33.6	Very low	169 Å²	169	132.3 Å²	132.3	79%	0.79	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-21.5	-179.1	-65.1	-170.4	113.3	0	0	114	S1277	E1275-S1277 PolarHBondContact O-N 2.72Å
1276	K	31.2	Very low	34.5	Very low	127 Å²	127	132.9 Å²	132.9	55%	0.552	65%	0.645	S	S	*	*	H	α-helix	trans	-64.6	-2.4	172.8	-74	178.6	179.3	168.2	0	113.4	H1274 N1280	H1274-K1276 VanDerWaalsContact C-N 3.25Å; H1274-K1276 PolarHBondContact O-N 3.08Å; K1276-N1280 WeakPolarHBondContact O-CB 3.33Å; K1276-N1280 PolarHBondContact O-ND2 3.06Å
1277	S	36	Very low	35.6	Very low	55 Å²	55	130.1 Å²	130.1	39%	0.385	63%	0.627	S	S	.	*	H	α-helix	trans	-77.9	-49.5	176.3	-167.7	0	0	0	0	113.7	H1274 E1275 N1280 K1281	H1274-S1277 VanDerWaalsContact O-CB 3.28Å; H1274-S1277 WeakPolarHBondContact O-CB 3.31Å; H1274-S1277 PolarHBondContact O-N 3.31Å; H1274-S1277 VanDerWaalsContact O-N 3.15Å; E1275-S1277 PolarHBondContact O-N 2.72Å; S1277-N1280 CarbonylContact O-C 3.56Å; S1277-N1280 WeakPolarHBondContact O-CA 3.35Å; S1277-N1280 WeakPolarHBondContact O-CB 3.32Å; S1277-N1280 PolarHBondContact O-N 2.94Å; S1277-N1280 VanDerWaalsContact O-N 3.12Å; S1277-K1281 PolarHBondContact O-N 3.2Å
1278	N	36.2	Very low	36.7	Very low	107 Å²	107	131.8 Å²	131.8	57%	0.572	62%	0.621	S	S	*	*	H	α-helix	trans	-73.9	-37.5	-169.4	-79.2	-14	0	0	0	113.8	N1280 K1281 L1282	N1278-N1280 VanDerWaalsContact C-N 3.29Å; N1278-N1280 PolarHBondContact O-N 3.2Å; N1278-K1281 WeakPolarHBondContact O-CB 3.45Å; N1278-K1281 PolarHBondContact O-N 2.96Å; N1278-K1281 VanDerWaalsContact O-N 3.14Å; N1278-L1282 PolarHBondContact O-N 3.41Å
1279	H	37	Very low	37.7	Very low	159 Å²	159	130.4 Å²	130.4	74%	0.736	61%	0.608	S	S	*	*	H	α-helix	trans	-64.5	-33.8	168.1	-100.4	42.5	0	0	0	112.1	Y1283	H1279-Y1283 VanDerWaalsContact O-CB 3.28Å; H1279-Y1283 WeakPolarHBondContact O-CB 3.5Å; H1279-Y1283 PolarHBondContact O-N 3.19Å
1280	N	37.3	Very low	38.8	Very low	79 Å²	79	126.4 Å²	126.4	42%	0.422	59%	0.591	S	S	.	*	H	α-helix	trans	-69.2	-31.9	170.2	-95.2	-65.2	0	0	0	113	K1276 S1277 N1278 K1284	K1276-N1280 WeakPolarHBondContact O-CB 3.33Å; K1276-N1280 PolarHBondContact O-ND2 3.06Å; S1277-N1280 CarbonylContact O-C 3.56Å; S1277-N1280 WeakPolarHBondContact O-CA 3.35Å; S1277-N1280 WeakPolarHBondContact O-CB 3.32Å; S1277-N1280 PolarHBondContact O-N 2.94Å; S1277-N1280 VanDerWaalsContact O-N 3.12Å; N1278-N1280 VanDerWaalsContact C-N 3.29Å; N1278-N1280 PolarHBondContact O-N 3.2Å; N1280-K1284 WeakPolarHBondContact O-CB 3.36Å; N1280-K1284 WeakPolarHBondContact O-CG 3.24Å; N1280-K1284 PolarHBondContact O-N 3.24Å
1281	K	39.9	Very low	40.2	Very low	130 Å²	130	120.7 Å²	120.7	57%	0.565	57%	0.569	S	S	*	*	H	α-helix	trans	-63.8	-49.7	172.2	-74.5	-178.5	-174.9	169.8	0	110.2	S1277 N1278 Y1283 K1284 H1285	S1277-K1281 PolarHBondContact O-N 3.2Å; N1278-K1281 WeakPolarHBondContact O-CB 3.45Å; N1278-K1281 PolarHBondContact O-N 2.96Å; N1278-K1281 VanDerWaalsContact O-N 3.14Å; K1281-Y1283 PolarHBondContact O-N 3.37Å; K1281-K1284 PolarHBondContact O-N 2.89Å; K1281-H1285 VanDerWaalsContact O-CB 3.24Å; K1281-H1285 WeakPolarHBondContact O-CB 3.46Å; K1281-H1285 PolarHBondContact O-N 3.12Å
1282	L	39.1	Very low	41.2	Very low	104 Å²	104	115.6 Å²	115.6	55%	0.545	55%	0.547	S	S	.	.	H	α-helix	trans	-61.7	-44.9	176.8	-176.6	60.4	0	0	0	111.7	N1278 H1285 I1286	N1278-L1282 PolarHBondContact O-N 3.41Å; L1282-H1285 PolarHBondContact O-N 2.7Å; L1282-I1286 HydrophobicContact CD1-CD1 4.22Å; L1282-I1286 HydrophobicContact CD1-CG1 4.45Å; L1282-I1286 HydrophobicContact CG-CD1 4.07Å; L1282-I1286 WeakPolarHBondContact O-CG1 3.39Å; L1282-I1286 PolarHBondContact O-N 3.02Å
1283	Y	37.9	Very low	42	Very low	138 Å²	138	113.4 Å²	113.4	54%	0.541	54%	0.537	S	S	.	.	H	α-helix	trans	-65.3	-41.4	177.5	-168.9	-102.8	0	0	0	112.6	H1279 K1281 H1285 I1286 Q1287	H1279-Y1283 VanDerWaalsContact O-CB 3.28Å; H1279-Y1283 WeakPolarHBondContact O-CB 3.5Å; H1279-Y1283 PolarHBondContact O-N 3.19Å; K1281-Y1283 PolarHBondContact O-N 3.37Å; Y1283-H1285 VanDerWaalsContact C-N 3.33Å; Y1283-H1285 PolarHBondContact O-N 3.06Å; Y1283-I1286 PolarHBondContact O-N 3.2Å; Y1283-Q1287 HydrophobicContact CD1-CG 4.25Å; Y1283-Q1287 HydrophobicContact CE1-CG 4.01Å; Y1283-Q1287 WeakPolarHBondContact O-CB 3.03Å; Y1283-Q1287 WeakPolarHBondContact O-CG 3.33Å; Y1283-Q1287 PolarHBondContact O-N 3.22Å
1284	K	47	Very low	43.3	Very low	126 Å²	126	114.8 Å²	114.8	55%	0.548	54%	0.536	S	S	.	.	H	α-helix	trans	-65.9	-32.7	171.7	-76.4	174.9	178.6	177.9	0	112.2	N1280 K1281 K1288	N1280-K1284 WeakPolarHBondContact O-CB 3.36Å; N1280-K1284 WeakPolarHBondContact O-CG 3.24Å; N1280-K1284 PolarHBondContact O-N 3.24Å; K1281-K1284 PolarHBondContact O-N 2.89Å; K1284-K1288 VanDerWaalsContact O-CB 3.29Å; K1284-K1288 WeakPolarHBondContact O-CB 3.16Å; K1284-K1288 WeakPolarHBondContact O-CG 3.14Å; K1284-K1288 PolarHBondContact O-N 2.81Å
1285	H	47	Very low	44.1	Very low	75 Å²	75	113.4 Å²	113.4	35%	0.347	52%	0.523	S	S	.	.	H	α-helix	trans	-70.5	-45.2	176.4	-167.3	111.5	0	0	0	110.7	K1281 L1282 Y1283 K1288 R1289 M1333	K1281-H1285 VanDerWaalsContact O-CB 3.24Å; K1281-H1285 WeakPolarHBondContact O-CB 3.46Å; K1281-H1285 PolarHBondContact O-N 3.12Å; L1282-H1285 PolarHBondContact O-N 2.7Å; Y1283-H1285 VanDerWaalsContact C-N 3.33Å; Y1283-H1285 PolarHBondContact O-N 3.06Å; H1285-K1288 PolarHBondContact O-N 2.92Å; H1285-R1289 WeakPolarHBondContact O-CB 3.45Å; H1285-R1289 PolarHBondContact O-N 3.41Å; H1285-M1333 VanDerWaalsContact CE1-SD 3.6Å
1286	I	48.5	Very low	44.7	Very low	89 Å²	89	109.3 Å²	109.3	46%	0.456	51%	0.505	S	S	.	.	H	α-helix	trans	-60.9	-46.8	171.5	-67.5	168.2	0	0	0	110.3	L1282 Y1283 K1288 R1289 C1290	L1282-I1286 HydrophobicContact CD1-CD1 4.22Å; L1282-I1286 HydrophobicContact CD1-CG1 4.45Å; L1282-I1286 HydrophobicContact CG-CD1 4.07Å; L1282-I1286 WeakPolarHBondContact O-CG1 3.39Å; L1282-I1286 PolarHBondContact O-N 3.02Å; Y1283-I1286 PolarHBondContact O-N 3.2Å; I1286-K1288 PolarHBondContact O-N 3.11Å; I1286-R1289 PolarHBondContact O-N 2.76Å; I1286-C1290 WeakPolarHBondContact O-CB 3.47Å; I1286-C1290 PolarHBondContact O-N 3.46Å; I1286-C1290 PolarHBondContact O-SG 2.96Å
1287	Q	52.3	Low	45.4	Very low	86 Å²	86	106.8 Å²	106.8	40%	0.402	49%	0.494	S	S	.	.	H	α-helix	trans	-60	-45.2	174.6	-79	-166.4	-15.3	0	0	112.4	Y1283 R1289 C1290 I1291	Y1283-Q1287 HydrophobicContact CD1-CG 4.25Å; Y1283-Q1287 HydrophobicContact CE1-CG 4.01Å; Y1283-Q1287 WeakPolarHBondContact O-CB 3.03Å; Y1283-Q1287 WeakPolarHBondContact O-CG 3.33Å; Y1283-Q1287 PolarHBondContact O-N 3.22Å; Q1287-R1289 PolarHBondContact O-N 2.94Å; Q1287-C1290 PolarHBondContact O-N 2.98Å; Q1287-I1291 WeakPolarHBondContact O-CB 3.07Å; Q1287-I1291 WeakPolarHBondContact O-CD1 3.24Å; Q1287-I1291 WeakPolarHBondContact O-CG1 3.47Å; Q1287-I1291 PolarHBondContact O-N 3Å
1288	K	51	Low	46	Very low	137 Å²	137	112.1 Å²	112.1	60%	0.596	51%	0.511	S	S	*	.	H	α-helix	trans	-57.4	-48.8	174.1	-84.2	-177.3	176.2	-175.9	0	110.5	K1284 H1285 I1286 C1290 I1291 I1292	K1284-K1288 VanDerWaalsContact O-CB 3.29Å; K1284-K1288 WeakPolarHBondContact O-CB 3.16Å; K1284-K1288 WeakPolarHBondContact O-CG 3.14Å; K1284-K1288 PolarHBondContact O-N 2.81Å; H1285-K1288 PolarHBondContact O-N 2.92Å; I1286-K1288 PolarHBondContact O-N 3.11Å; K1288-C1290 PolarHBondContact O-N 2.79Å; K1288-I1291 PolarHBondContact O-N 2.73Å; K1288-I1291 VanDerWaalsContact O-N 3.17Å; K1288-I1292 WeakPolarHBondContact O-CB 3.29Å; K1288-I1292 VanDerWaalsContact O-CG1 3.29Å; K1288-I1292 WeakPolarHBondContact O-CG1 3.33Å; K1288-I1292 PolarHBondContact O-N 3.45Å
1289	R	51.1	Low	46.5	Very low	167 Å²	167	111.5 Å²	111.5	63%	0.63	51%	0.506	S	S	*	.	H	α-helix	trans	-63.1	-41.7	179.1	-157.3	163.7	-179.4	157	-4.4	111.5	H1285 I1286 Q1287 I1292 L1293	H1285-R1289 WeakPolarHBondContact O-CB 3.45Å; H1285-R1289 PolarHBondContact O-N 3.41Å; I1286-R1289 PolarHBondContact O-N 2.76Å; Q1287-R1289 PolarHBondContact O-N 2.94Å; R1289-I1292 PolarHBondContact O-N 2.85Å; R1289-L1293 WeakPolarHBondContact O-CB 3.09Å; R1289-L1293 VanDerWaalsContact O-CG 3.26Å; R1289-L1293 WeakPolarHBondContact O-CG 3.28Å; R1289-L1293 PolarHBondContact O-N 3.34Å
1290	C	49.3	Very low	46.7	Very low	55 Å²	55	112.1 Å²	112.1	37%	0.372	50%	0.502	S	S	.	.	H	α-helix	trans	-65.9	-36.2	172	-70	0	0	0	0	113.5	I1286 Q1287 K1288 R1294	I1286-C1290 WeakPolarHBondContact O-CB 3.47Å; I1286-C1290 PolarHBondContact O-N 3.46Å; I1286-C1290 PolarHBondContact O-SG 2.96Å; Q1287-C1290 PolarHBondContact O-N 2.98Å; K1288-C1290 PolarHBondContact O-N 2.79Å; C1290-R1294 VanDerWaalsContact O-CB 3.28Å; C1290-R1294 WeakPolarHBondContact O-CB 3.47Å; C1290-R1294 WeakPolarHBondContact O-CG 3.22Å; C1290-R1294 PolarHBondContact O-N 3.02Å
1291	I	57	Low	47	Very low	76 Å²	76	116.9 Å²	116.9	39%	0.39	52%	0.519	S	S	.	.	H	α-helix	trans	-70	-39.7	175.5	-73.2	163.8	0	0	0	110.6	Q1287 K1288 R1294 R1295	Q1287-I1291 WeakPolarHBondContact O-CB 3.07Å; Q1287-I1291 WeakPolarHBondContact O-CD1 3.24Å; Q1287-I1291 WeakPolarHBondContact O-CG1 3.47Å; Q1287-I1291 PolarHBondContact O-N 3Å; K1288-I1291 PolarHBondContact O-N 2.73Å; K1288-I1291 VanDerWaalsContact O-N 3.17Å; I1291-R1294 PolarHBondContact O-N 3.42Å; I1291-R1295 WeakPolarHBondContact O-CB 3.46Å; I1291-R1295 WeakPolarHBondContact O-CG 3.46Å; I1291-R1295 PolarHBondContact O-N 3.09Å
1292	I	49.8	Very low	47.2	Very low	83 Å²	83	112.4 Å²	112.4	43%	0.426	50%	0.504	S	S	.	.	H	α-helix	trans	-62.4	-49.1	172.6	-69.6	163.8	0	0	0	109.7	K1288 R1289 R1294 R1295 M1296	K1288-I1292 WeakPolarHBondContact O-CB 3.29Å; K1288-I1292 VanDerWaalsContact O-CG1 3.29Å; K1288-I1292 WeakPolarHBondContact O-CG1 3.33Å; K1288-I1292 PolarHBondContact O-N 3.45Å; R1289-I1292 PolarHBondContact O-N 2.85Å; I1292-R1294 PolarHBondContact O-N 3.22Å; I1292-R1295 CarbonylContact O-C 3.57Å; I1292-R1295 PolarHBondContact O-N 3.31Å; I1292-R1295 VanDerWaalsContact O-N 3.14Å; I1292-M1296 HydrophobicContact CG2-CG 4.49Å; I1292-M1296 HydrophobicContact CG2-SD 4.23Å; I1292-M1296 WeakPolarHBondContact O-CB 3.31Å; I1292-M1296 WeakPolarHBondContact O-CG 3.42Å; I1292-M1296 PolarHBondContact O-N 3.2Å
1293	L	46.5	Very low	47.2	Very low	90 Å²	90	111.8 Å²	111.8	47%	0.471	51%	0.506	S	S	.	.	H	α-helix	trans	-61.3	-39	175.7	-71.5	168.1	0	0	0	112.6	R1289 K1297	R1289-L1293 WeakPolarHBondContact O-CB 3.09Å; R1289-L1293 VanDerWaalsContact O-CG 3.26Å; R1289-L1293 WeakPolarHBondContact O-CG 3.28Å; R1289-L1293 PolarHBondContact O-N 3.34Å; L1293-K1297 WeakPolarHBondContact O-CB 3.41Å; L1293-K1297 WeakPolarHBondContact O-CG 3.39Å; L1293-K1297 PolarHBondContact O-N 2.76Å
1294	R	53.7	Low	47.5	Very low	183 Å²	183	108.2 Å²	108.2	69%	0.691	51%	0.506	S	S	*	.	H	α-helix	trans	-67	-37.9	173.3	-77	171.3	177	174.6	-0.2	112.2	C1290 I1291 I1292 K1297 K1298	C1290-R1294 VanDerWaalsContact O-CB 3.28Å; C1290-R1294 WeakPolarHBondContact O-CB 3.47Å; C1290-R1294 WeakPolarHBondContact O-CG 3.22Å; C1290-R1294 PolarHBondContact O-N 3.02Å; I1291-R1294 PolarHBondContact O-N 3.42Å; I1292-R1294 PolarHBondContact O-N 3.22Å; R1294-K1297 PolarHBondContact O-N 3.31Å; R1294-K1298 PolarHBondContact O-N 3.41Å
1295	R	47.1	Very low	47.3	Very low	147 Å²	147	105.7 Å²	105.7	56%	0.555	50%	0.497	S	S	*	.	H	α-helix	trans	-67.7	-45.4	173.3	-81	-178.9	170.6	152.3	1	111.4	I1291 I1292 K1297 K1298 I1299	I1291-R1295 WeakPolarHBondContact O-CB 3.46Å; I1291-R1295 WeakPolarHBondContact O-CG 3.46Å; I1291-R1295 PolarHBondContact O-N 3.09Å; I1292-R1295 CarbonylContact O-C 3.57Å; I1292-R1295 PolarHBondContact O-N 3.31Å; I1292-R1295 VanDerWaalsContact O-N 3.14Å; R1295-K1297 VanDerWaalsContact C-N 3.33Å; R1295-K1297 PolarHBondContact O-N 2.97Å; R1295-K1298 CarbonylContact O-C 3.59Å; R1295-K1298 PolarHBondContact O-N 3.23Å; R1295-K1298 VanDerWaalsContact O-N 3.1Å; R1295-I1299 WeakPolarHBondContact O-CB 3.46Å; R1295-I1299 VanDerWaalsContact O-CG1 3.25Å; R1295-I1299 WeakPolarHBondContact O-CG1 3.38Å; R1295-I1299 PolarHBondContact O-N 3.45Å
1296	M	43.1	Very low	46.9	Very low	83 Å²	83	110.6 Å²	110.6	41%	0.409	51%	0.513	S	S	.	.	H	α-helix	trans	-58.9	-40.8	172.4	-75.4	-178.7	147.6	0	0	112.1	I1292 I1299 R1300 L1322	I1292-M1296 HydrophobicContact CG2-CG 4.49Å; I1292-M1296 HydrophobicContact CG2-SD 4.23Å; I1292-M1296 WeakPolarHBondContact O-CB 3.31Å; I1292-M1296 WeakPolarHBondContact O-CG 3.42Å; I1292-M1296 PolarHBondContact O-N 3.2Å; M1296-I1299 PolarHBondContact O-N 2.81Å; M1296-R1300 WeakPolarHBondContact O-CB 3.46Å; M1296-R1300 PolarHBondContact O-N 3.21Å; M1296-L1322 HydrophobicContact CE-CD2 3.95Å
1297	K	46.9	Very low	46.5	Very low	73 Å²	73	115.5 Å²	115.5	32%	0.317	53%	0.525	S	S	.	.	H	α-helix	trans	-64.5	-39.9	171.9	-78.7	177	175	174.5	0	112.4	T839 G840 M841 L1293 R1294 R1295 K1301	T839-K1297 WeakPolarHBondContact O-CE 3.41Å; T839-K1297 PolarHBondContact O-NZ 3.1Å; G840-K1297 PolarHBondContact O-NZ 3.24Å; G840-K1297 VanDerWaalsContact O-NZ 3.08Å; M841-K1297 PolarHBondContact SD-NZ 3.48Å; L1293-K1297 WeakPolarHBondContact O-CB 3.41Å; L1293-K1297 WeakPolarHBondContact O-CG 3.39Å; L1293-K1297 PolarHBondContact O-N 2.76Å; R1294-K1297 PolarHBondContact O-N 3.31Å; R1295-K1297 VanDerWaalsContact C-N 3.33Å; R1295-K1297 PolarHBondContact O-N 2.97Å; K1297-K1301 WeakPolarHBondContact O-CB 3.48Å; K1297-K1301 WeakPolarHBondContact O-CG 3.24Å; K1297-K1301 PolarHBondContact O-N 2.85Å
1298	K	48.6	Very low	45.9	Very low	168 Å²	168	118.5 Å²	118.5	73%	0.73	54%	0.537	S	S	*	.	H	α-helix	trans	-66	-40.6	172.2	-84.6	-166.2	172.7	-172.1	0	112.7	R1294 R1295 K1301 S1302	R1294-K1298 PolarHBondContact O-N 3.41Å; R1295-K1298 CarbonylContact O-C 3.59Å; R1295-K1298 PolarHBondContact O-N 3.23Å; R1295-K1298 VanDerWaalsContact O-N 3.1Å; K1298-K1301 CarbonylContact O-C 3.49Å; K1298-K1301 PolarHBondContact O-N 2.89Å; K1298-S1302 PolarHBondContact O-N 3.41Å
1299	I	46.3	Very low	45.3	Very low	94 Å²	94	115.4 Å²	115.4	48%	0.482	53%	0.533	S	S	.	.	H	α-helix	trans	-62.9	-50.4	176.6	-72.3	166.3	0	0	0	110.1	R1295 M1296 K1301 S1302 I1305	R1295-I1299 WeakPolarHBondContact O-CB 3.46Å; R1295-I1299 VanDerWaalsContact O-CG1 3.25Å; R1295-I1299 WeakPolarHBondContact O-CG1 3.38Å; R1295-I1299 PolarHBondContact O-N 3.45Å; M1296-I1299 PolarHBondContact O-N 2.81Å; I1299-K1301 PolarHBondContact O-N 2.93Å; I1299-S1302 WeakPolarHBondContact O-CB 3.26Å; I1299-S1302 PolarHBondContact O-N 2.85Å; I1299-S1302 VanDerWaalsContact O-N 3.1Å; I1299-I1305 HydrophobicContact CB-CD1 4.42Å; I1299-I1305 HydrophobicContact CG2-CD1 3.67Å
1300	R	42.3	Very low	44.6	Very low	171 Å²	171	114.6 Å²	114.6	65%	0.645	54%	0.54	S	S	*	.	H	α-helix	trans	-61.6	-25.2	174.2	-77	-176.3	173.2	176	-0.9	113.7	M1296	M1296-R1300 WeakPolarHBondContact O-CB 3.46Å; M1296-R1300 PolarHBondContact O-N 3.21Å
1301	K	43.6	Very low	44.1	Very low	179 Å²	179	117.5 Å²	117.5	78%	0.778	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-3.9	175.2	-74	-170.3	175.1	-168.6	0	114.6	K1297 K1298 I1299 P1303	K1297-K1301 WeakPolarHBondContact O-CB 3.48Å; K1297-K1301 WeakPolarHBondContact O-CG 3.24Å; K1297-K1301 PolarHBondContact O-N 2.85Å; K1298-K1301 CarbonylContact O-C 3.49Å; K1298-K1301 PolarHBondContact O-N 2.89Å; I1299-K1301 PolarHBondContact O-N 2.93Å; K1301-P1303 WeakPolarHBondContact O-CD 3.42Å
1302	S	42.6	Very low	42.9	Very low	37 Å²	37	117.9 Å²	117.9	26%	0.259	57%	0.565	S	S	.	*			trans	-69.9	122.2	-177.1	178	0	0	0	0	112.4	K1298 I1299 A1304 I1305 R1306	K1298-S1302 PolarHBondContact O-N 3.41Å; I1299-S1302 WeakPolarHBondContact O-CB 3.26Å; I1299-S1302 PolarHBondContact O-N 2.85Å; I1299-S1302 VanDerWaalsContact O-N 3.1Å; S1302-A1304 PolarHBondContact O-N 3.33Å; S1302-I1305 PolarHBondContact O-N 3.04Å; S1302-I1305 VanDerWaalsContact O-N 3.12Å; S1302-R1306 PolarHBondContact O-N 2.89Å; S1302-R1306 VanDerWaalsContact O-N 3.09Å
1303	P	39.5	Very low	42	Very low	90 Å²	90	124 Å²	124	58%	0.584	59%	0.592	S	S	*	*	H	α-helix	trans	-61.3	-30.8	177	-24.7	35.4	0	0	0	113.5	K1301 I1305 R1306 R1307	K1301-P1303 WeakPolarHBondContact O-CD 3.42Å; P1303-I1305 VanDerWaalsContact C-N 3.34Å; P1303-R1306 PolarHBondContact O-N 3.33Å; P1303-R1307 WeakPolarHBondContact O-CG 3.39Å; P1303-R1307 PolarHBondContact O-N 2.89Å
1304	A	44.5	Very low	41.5	Very low	64 Å²	64	121.7 Å²	121.7	53%	0.529	58%	0.583	S	S	.	*	H	α-helix	trans	-65.7	-37.7	176.1	0	0	0	0	0	111.8	S1302 R1307 K1308	S1302-A1304 PolarHBondContact O-N 3.33Å; A1304-R1307 PolarHBondContact O-N 2.95Å; A1304-K1308 PolarHBondContact O-N 2.99Å
1305	I	42.7	Very low	40.7	Very low	72 Å²	72	119.9 Å²	119.9	37%	0.369	58%	0.583	S	S	.	*	H	α-helix	trans	-74.5	-38.1	178.4	-62.8	-178.5	0	0	0	110.6	I1299 S1302 P1303 R1307 K1308 S1309	I1299-I1305 HydrophobicContact CB-CD1 4.42Å; I1299-I1305 HydrophobicContact CG2-CD1 3.67Å; S1302-I1305 PolarHBondContact O-N 3.04Å; S1302-I1305 VanDerWaalsContact O-N 3.12Å; P1303-I1305 VanDerWaalsContact C-N 3.34Å; I1305-R1307 VanDerWaalsContact C-N 3.27Å; I1305-R1307 PolarHBondContact O-N 3.3Å; I1305-K1308 PolarHBondContact O-N 3.3Å; I1305-S1309 WeakPolarHBondContact O-CB 3.47Å; I1305-S1309 PolarHBondContact O-N 2.97Å; I1305-S1309 PolarHBondContact O-OG 3.23Å
1306	R	38.8	Very low	40.4	Very low	179 Å²	179	115.7 Å²	115.7	68%	0.675	58%	0.576	S	S	*	*	H	α-helix	trans	-58.4	-36.2	169.1	-94.2	-176.6	167.6	-177.6	-5.8	113	S1302 P1303 S1309 L1310	S1302-R1306 PolarHBondContact O-N 2.89Å; S1302-R1306 VanDerWaalsContact O-N 3.09Å; P1303-R1306 PolarHBondContact O-N 3.33Å; R1306-S1309 WeakPolarHBondContact CA-OG 3.43Å; R1306-S1309 PolarHBondContact O-OG 2.61Å; R1306-S1309 VanDerWaalsContact O-OG 3.05Å; R1306-L1310 PolarHBondContact O-N 3.45Å
1307	R	40.4	Very low	40.1	Very low	192 Å²	192	119.2 Å²	119.2	73%	0.725	59%	0.589	S	S	*	*	H	α-helix	trans	-71.9	-39.4	175.6	-71.7	175.8	-175.4	164.3	3	112.8	P1303 A1304 I1305 T1311	P1303-R1307 WeakPolarHBondContact O-CG 3.39Å; P1303-R1307 PolarHBondContact O-N 2.89Å; A1304-R1307 PolarHBondContact O-N 2.95Å; I1305-R1307 VanDerWaalsContact C-N 3.27Å; I1305-R1307 PolarHBondContact O-N 3.3Å; R1307-T1311 PolarHBondContact O-OG1 2.96Å; R1307-T1311 VanDerWaalsContact O-OG1 3.05Å
1308	K	38.4	Very low	39.6	Very low	148 Å²	148	120.7 Å²	120.7	64%	0.643	60%	0.6	S	S	*	*	H	α-helix	trans	-73.4	-22.3	173.2	-71.8	-167.8	174.7	-174	0	113.3	A1304 I1305 T1311	A1304-K1308 PolarHBondContact O-N 2.99Å; I1305-K1308 PolarHBondContact O-N 3.3Å; K1308-T1311 PolarHBondContact O-OG1 2.88Å
1309	S	38.3	Very low	39.3	Very low	73 Å²	73	114.9 Å²	114.9	51%	0.51	58%	0.58	S	S	.	*	H	α-helix	trans	-82.1	-15.2	174.7	70.9	0	0	0	0	114.6	I1305 R1306 T1311	I1305-S1309 WeakPolarHBondContact O-CB 3.47Å; I1305-S1309 PolarHBondContact O-N 2.97Å; I1305-S1309 PolarHBondContact O-OG 3.23Å; R1306-S1309 WeakPolarHBondContact CA-OG 3.43Å; R1306-S1309 PolarHBondContact O-OG 2.61Å; R1306-S1309 VanDerWaalsContact O-OG 3.05Å; S1309-T1311 VanDerWaalsContact C-N 3.33Å
1310	L	37	Very low	39	Very low	149 Å²	149	115.1 Å²	115.1	78%	0.78	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-0.8	176.5	-91	161	0	0	0	113.6	R1306	R1306-L1310 PolarHBondContact O-N 3.45Å
1311	T	40.1	Very low	38.8	Very low	117 Å²	117	111.2 Å²	111.2	72%	0.718	57%	0.572	S	S	*	*	S	Bend	trans	-131.9	4	-167.5	40.9	0	0	0	0	114.8	R1307 K1308 S1309	R1307-T1311 PolarHBondContact O-OG1 2.96Å; R1307-T1311 VanDerWaalsContact O-OG1 3.05Å; K1308-T1311 PolarHBondContact O-OG1 2.88Å; S1309-T1311 VanDerWaalsContact C-N 3.33Å
1312	C	30.6	Very low	38.7	Very low	84 Å²	84	106.5 Å²	106.5	57%	0.568	56%	0.555	S	S	*	*			trans	-133.4	118.2	-177.9	-167.4	0	0	0	0	112.3	S1314	C1312-S1314 VanDerWaalsContact C-N 3.25Å; C1312-S1314 PolarHBondContact O-N 3.08Å
1313	Q	31.3	Very low	39	Very low	212 Å²	212	108.4 Å²	108.4	99%	0.991	56%	0.562	S	S	*	*			trans	-78.9	12	-173	-70.5	-178.7	-27.1	0	0	115.3
1314	S	35.7	Very low	39.2	Very low	41 Å²	41	108 Å²	108	29%	0.287	56%	0.558	S	S	.	*			trans	-119	95.7	-176.1	63.8	0	0	0	0	113.6	C1312 S1316	C1312-S1314 VanDerWaalsContact C-N 3.25Å; C1312-S1314 PolarHBondContact O-N 3.08Å; S1314-S1316 PolarHBondContact O-N 3.08Å
1315	Q	36.8	Very low	38.9	Very low	145 Å²	145	109.8 Å²	109.8	68%	0.678	56%	0.558	S	S	*	*	H	α-helix	trans	-63.4	-28	172.4	-66.9	-179.7	-78.9	0	0	112.5	K1317 L1318 S1319	Q1315-K1317 PolarHBondContact O-N 2.9Å; Q1315-L1318 PolarHBondContact O-N 3.16Å; Q1315-L1318 VanDerWaalsContact O-N 3.14Å; Q1315-S1319 PolarHBondContact O-N 3.02Å; Q1315-S1319 VanDerWaalsContact O-N 3.17Å
1316	S	40.9	Very low	39	Very low	59 Å²	59	112.1 Å²	112.1	41%	0.413	57%	0.568	S	S	.	*	H	α-helix	trans	-63.8	-31.5	-176.3	53.2	0	0	0	0	114.8	S1314 L1318 S1319 K1320	S1314-S1316 PolarHBondContact O-N 3.08Å; S1316-L1318 VanDerWaalsContact C-N 3.3Å; S1316-L1318 PolarHBondContact O-N 3.09Å; S1316-S1319 PolarHBondContact O-OG 3.49Å; S1316-S1319 VanDerWaalsContact O-OG 3.09Å; S1316-K1320 WeakPolarHBondContact O-CB 3.47Å; S1316-K1320 WeakPolarHBondContact O-CG 3.3Å; S1316-K1320 PolarHBondContact O-N 3.44Å
1317	K	37.8	Very low	39.3	Very low	156 Å²	156	109.8 Å²	109.8	68%	0.678	56%	0.559	S	S	*	*	H	α-helix	trans	-68.4	-32.1	175.1	-73.1	-171.6	174.3	-176.2	0	112	Q1315 V1321	Q1315-K1317 PolarHBondContact O-N 2.9Å; K1317-V1321 WeakPolarHBondContact O-CG2 3.44Å; K1317-V1321 PolarHBondContact O-N 3.01Å; K1317-V1321 VanDerWaalsContact O-N 3.11Å
1318	L	36.2	Very low	39.3	Very low	105 Å²	105	105.5 Å²	105.5	55%	0.55	55%	0.55	S	S	.	.	H	α-helix	trans	-81.5	-33.8	-178.7	-138.4	159.2	0	0	0	111.6	Q1315 S1316 L1322	Q1315-L1318 PolarHBondContact O-N 3.16Å; Q1315-L1318 VanDerWaalsContact O-N 3.14Å; S1316-L1318 VanDerWaalsContact C-N 3.3Å; S1316-L1318 PolarHBondContact O-N 3.09Å; L1318-L1322 HydrophobicContact CD2-CD1 4.09Å; L1318-L1322 WeakPolarHBondContact O-CG 3.15Å; L1318-L1322 PolarHBondContact O-N 2.81Å; L1318-L1322 VanDerWaalsContact O-N 3.12Å
1319	S	41	Very low	39.3	Very low	45 Å²	45	100.1 Å²	100.1	32%	0.315	53%	0.533	S	S	.	.	H	α-helix	trans	-67.2	-43.8	168.1	60.4	0	0	0	0	111.9	Q1315 S1316 V1321 L1322 I1323	Q1315-S1319 PolarHBondContact O-N 3.02Å; Q1315-S1319 VanDerWaalsContact O-N 3.17Å; S1316-S1319 PolarHBondContact O-OG 3.49Å; S1316-S1319 VanDerWaalsContact O-OG 3.09Å; S1319-V1321 PolarHBondContact O-N 2.86Å; S1319-L1322 PolarHBondContact O-N 2.96Å; S1319-L1322 VanDerWaalsContact O-N 3.09Å; S1319-I1323 WeakPolarHBondContact O-CG1 3.34Å; S1319-I1323 PolarHBondContact O-N 2.85Å
1320	K	39.9	Very low	39.4	Very low	99 Å²	99	100.4 Å²	100.4	43%	0.43	53%	0.529	S	S	.	.	H	α-helix	trans	-59.2	-41.8	175.4	-75.4	-166.8	174.6	-157.3	0	112.8	H344 S1316 L1322 I1323 V1324	H344-K1320 PolarHBondContact CD2-NZ 3.5Å; H344-K1320 WeakPolarHBondContact NE2-CE 3.25Å; H344-K1320 PolarHBondContact NE2-NZ 3.3Å; S1316-K1320 WeakPolarHBondContact O-CB 3.47Å; S1316-K1320 WeakPolarHBondContact O-CG 3.3Å; S1316-K1320 PolarHBondContact O-N 3.44Å; K1320-L1322 PolarHBondContact O-N 3.03Å; K1320-I1323 PolarHBondContact O-N 3.15Å; K1320-V1324 WeakPolarHBondContact O-CB 3.49Å; K1320-V1324 VanDerWaalsContact O-CG2 3.28Å; K1320-V1324 WeakPolarHBondContact O-CG2 3.48Å; K1320-V1324 PolarHBondContact O-N 3.27Å
1321	V	39.4	Very low	39.6	Very low	89 Å²	89	97 Å²	97	54%	0.539	51%	0.514	S	S	.	.	H	α-helix	trans	-64.3	-37.5	174	170.2	0	0	0	0	112.2	K1317 S1319 N1325	K1317-V1321 WeakPolarHBondContact O-CG2 3.44Å; K1317-V1321 PolarHBondContact O-N 3.01Å; K1317-V1321 VanDerWaalsContact O-N 3.11Å; S1319-V1321 PolarHBondContact O-N 2.86Å; V1321-N1325 WeakPolarHBondContact O-CB 3.47Å; V1321-N1325 PolarHBondContact O-N 3.34Å; V1321-N1325 PolarHBondContact O-ND2 2.81Å
1322	L	41.1	Very low	39.3	Very low	80 Å²	80	95.9 Å²	95.9	42%	0.419	51%	0.507	S	S	.	.	H	α-helix	trans	-67.2	-45.7	174.8	-77.8	165.1	0	0	0	112.1	M1296 L1318 S1319 K1320 V1324 N1325 Q1326	M1296-L1322 HydrophobicContact CE-CD2 3.95Å; L1318-L1322 HydrophobicContact CD2-CD1 4.09Å; L1318-L1322 WeakPolarHBondContact O-CG 3.15Å; L1318-L1322 PolarHBondContact O-N 2.81Å; L1318-L1322 VanDerWaalsContact O-N 3.12Å; S1319-L1322 PolarHBondContact O-N 2.96Å; S1319-L1322 VanDerWaalsContact O-N 3.09Å; K1320-L1322 PolarHBondContact O-N 3.03Å; L1322-V1324 PolarHBondContact O-N 3.2Å; L1322-N1325 PolarHBondContact O-N 2.97Å; L1322-Q1326 WeakPolarHBondContact O-CB 3.41Å; L1322-Q1326 PolarHBondContact O-N 3.42Å
1323	I	48.1	Very low	39.5	Very low	77 Å²	77	96.4 Å²	96.4	40%	0.395	50%	0.503	S	S	.	.	H	α-helix	trans	-63.4	-41.2	178.2	-67.2	164.1	0	0	0	111	S1319 K1320 Q1326 R1327	S1319-I1323 WeakPolarHBondContact O-CG1 3.34Å; S1319-I1323 PolarHBondContact O-N 2.85Å; K1320-I1323 PolarHBondContact O-N 3.15Å; I1323-Q1326 PolarHBondContact O-N 2.86Å; I1323-R1327 HydrophobicContact CG2-CG 4.39Å; I1323-R1327 WeakPolarHBondContact O-CB 3.49Å; I1323-R1327 WeakPolarHBondContact O-CG 3.33Å; I1323-R1327 PolarHBondContact O-N 3.44Å
1324	V	43.5	Very low	40	Very low	82 Å²	82	94.7 Å²	94.7	50%	0.497	49%	0.492	S	S	.	.	H	α-helix	trans	-65.1	-42.9	175.7	167.9	0	0	0	0	111.4	K1320 L1322 Q1326 L1328	K1320-V1324 WeakPolarHBondContact O-CB 3.49Å; K1320-V1324 VanDerWaalsContact O-CG2 3.28Å; K1320-V1324 WeakPolarHBondContact O-CG2 3.48Å; K1320-V1324 PolarHBondContact O-N 3.27Å; L1322-V1324 PolarHBondContact O-N 3.2Å; V1324-Q1326 VanDerWaalsContact C-N 3.29Å; V1324-Q1326 PolarHBondContact O-N 3.5Å; V1324-L1328 HydrophobicContact CG1-CD1 4.02Å; V1324-L1328 WeakPolarHBondContact O-CB 3.31Å; V1324-L1328 PolarHBondContact O-N 2.84Å
1325	N	39.2	Very low	39.9	Very low	101 Å²	101	98.5 Å²	98.5	54%	0.54	51%	0.509	S	S	.	.	H	α-helix	trans	-66.4	-31	174.6	-82.9	-88.2	0	0	0	112.8	V1321 L1322 A1329	V1321-N1325 WeakPolarHBondContact O-CB 3.47Å; V1321-N1325 PolarHBondContact O-N 3.34Å; V1321-N1325 PolarHBondContact O-ND2 2.81Å; L1322-N1325 PolarHBondContact O-N 2.97Å; N1325-A1329 WeakPolarHBondContact O-CB 3.38Å; N1325-A1329 PolarHBondContact O-N 3.43Å; N1325-A1329 VanDerWaalsContact O-N 3.08Å
1326	Q	45.2	Very low	39.8	Very low	122 Å²	122	98 Å²	98	57%	0.57	51%	0.511	S	S	*	.	H	α-helix	trans	-74.6	-48.8	176.9	-169.7	164.3	-19.7	0	0	110.9	L1322 I1323 V1324 L1328 A1329 D1330	L1322-Q1326 WeakPolarHBondContact O-CB 3.41Å; L1322-Q1326 PolarHBondContact O-N 3.42Å; I1323-Q1326 PolarHBondContact O-N 2.86Å; V1324-Q1326 VanDerWaalsContact C-N 3.29Å; V1324-Q1326 PolarHBondContact O-N 3.5Å; Q1326-L1328 VanDerWaalsContact C-N 3.32Å; Q1326-L1328 PolarHBondContact O-N 3.09Å; Q1326-A1329 CarbonylContact O-C 2.95Å; Q1326-A1329 WeakPolarHBondContact O-CA 3.47Å; Q1326-A1329 WeakPolarHBondContact O-CB 3.11Å; Q1326-A1329 PolarHBondContact O-N 2.85Å; Q1326-D1330 PolarHBondContact O-N 3.06Å
1327	R	44.2	Very low	39.4	Very low	129 Å²	129	100.7 Å²	100.7	49%	0.487	53%	0.53	S	S	.	.	H	α-helix	trans	-54.7	-43.9	170.9	-75.4	-178.2	172.8	-178.3	-2.4	111.9	E287 I1323 A1329 D1330 T1331	E287-R1327 IonicContact OE1-CZ 2.7Å; E287-R1327 IonicContact OE1-NH1 3.57Å; E287-R1327 PolarHBondContact OE1-NH1 2.91Å; E287-R1327 IonicContact OE1-NH2 2.95Å; E287-R1327 PolarHBondContact OE1-NH2 3.42Å; I1323-R1327 HydrophobicContact CG2-CG 4.39Å; I1323-R1327 WeakPolarHBondContact O-CB 3.49Å; I1323-R1327 WeakPolarHBondContact O-CG 3.33Å; I1323-R1327 PolarHBondContact O-N 3.44Å; R1327-A1329 VanDerWaalsContact C-N 3.35Å; R1327-A1329 PolarHBondContact O-N 3.25Å; R1327-D1330 PolarHBondContact O-N 3.46Å; R1327-T1331 PolarHBondContact O-N 3.11Å; R1327-T1331 PolarHBondContact O-OG1 3.34Å; R1327-T1331 VanDerWaalsContact O-OG1 3.05Å
1328	L	41.6	Very low	39	Very low	102 Å²	102	101.4 Å²	101.4	53%	0.534	54%	0.54	S	S	.	.	H	α-helix	trans	-61.4	-38.9	173.7	-94.5	154.6	0	0	0	113.1	V1324 Q1326 T1332	V1324-L1328 HydrophobicContact CG1-CD1 4.02Å; V1324-L1328 WeakPolarHBondContact O-CB 3.31Å; V1324-L1328 PolarHBondContact O-N 2.84Å; Q1326-L1328 VanDerWaalsContact C-N 3.32Å; Q1326-L1328 PolarHBondContact O-N 3.09Å; L1328-T1332 WeakPolarHBondContact O-CB 3.45Å; L1328-T1332 WeakPolarHBondContact O-CG2 3.39Å; L1328-T1332 PolarHBondContact O-N 3.09Å; L1328-T1332 PolarHBondContact O-OG1 2.92Å
1329	A	37.7	Very low	38.6	Very low	35 Å²	35	105.1 Å²	105.1	29%	0.289	56%	0.557	S	S	.	*	H	α-helix	trans	-68.5	-37.6	174.7	0	0	0	0	0	112.1	N1325 Q1326 R1327 T1332 M1333	N1325-A1329 WeakPolarHBondContact O-CB 3.38Å; N1325-A1329 PolarHBondContact O-N 3.43Å; N1325-A1329 VanDerWaalsContact O-N 3.08Å; Q1326-A1329 CarbonylContact O-C 2.95Å; Q1326-A1329 WeakPolarHBondContact O-CA 3.47Å; Q1326-A1329 WeakPolarHBondContact O-CB 3.11Å; Q1326-A1329 PolarHBondContact O-N 2.85Å; R1327-A1329 VanDerWaalsContact C-N 3.35Å; R1327-A1329 PolarHBondContact O-N 3.25Å; A1329-T1332 PolarHBondContact O-OG1 3.05Å; A1329-M1333 WeakPolarHBondContact O-CB 3.46Å; A1329-M1333 VanDerWaalsContact O-CG 3.29Å; A1329-M1333 WeakPolarHBondContact O-CG 3.28Å; A1329-M1333 PolarHBondContact O-N 2.92Å
1330	D	41.1	Very low	38.2	Very low	80 Å²	80	108.3 Å²	108.3	43%	0.428	57%	0.57	S	S	.	*	H	α-helix	trans	-74.6	-34.9	179.9	-61.7	-31.5	0	0	0	111.8	Q1326 R1327 M1333 K1334	Q1326-D1330 PolarHBondContact O-N 3.06Å; R1327-D1330 PolarHBondContact O-N 3.46Å; D1330-M1333 PolarHBondContact O-N 3.17Å; D1330-K1334 PolarHBondContact O-N 3.35Å
1331	T	39.7	Very low	37.6	Very low	77 Å²	77	110.5 Å²	110.5	47%	0.472	59%	0.586	S	S	.	*	H	α-helix	trans	-67.1	-49.1	170.6	-57.2	0	0	0	0	110.8	R1327 M1333 K1334 D1335	R1327-T1331 PolarHBondContact O-N 3.11Å; R1327-T1331 PolarHBondContact O-OG1 3.34Å; R1327-T1331 VanDerWaalsContact O-OG1 3.05Å; T1331-M1333 PolarHBondContact O-N 3.05Å; T1331-K1334 PolarHBondContact O-N 2.99Å; T1331-D1335 PolarHBondContact O-N 2.82Å
1332	T	34	Very low	37.3	Very low	94 Å²	94	112 Å²	112	58%	0.577	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	3.8	176.5	56	0	0	0	0	114.6	L1328 A1329 N1336	L1328-T1332 WeakPolarHBondContact O-CB 3.45Å; L1328-T1332 WeakPolarHBondContact O-CG2 3.39Å; L1328-T1332 PolarHBondContact O-N 3.09Å; L1328-T1332 PolarHBondContact O-OG1 2.92Å; A1329-T1332 PolarHBondContact O-OG1 3.05Å; T1332-N1336 PolarHBondContact O-ND2 3.25Å
1333	M	35.2	Very low	37	Very low	95 Å²	95	115.2 Å²	115.2	47%	0.468	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.8	-8.1	166.6	-77.9	-171.5	-178.5	0	0	114.1	H1285 A1329 D1330 T1331	H1285-M1333 VanDerWaalsContact CE1-SD 3.6Å; A1329-M1333 WeakPolarHBondContact O-CB 3.46Å; A1329-M1333 VanDerWaalsContact O-CG 3.29Å; A1329-M1333 WeakPolarHBondContact O-CG 3.28Å; A1329-M1333 PolarHBondContact O-N 2.92Å; D1330-M1333 PolarHBondContact O-N 3.17Å; T1331-M1333 PolarHBondContact O-N 3.05Å
1334	K	42.2	Very low	36.2	Very low	176 Å²	176	117.5 Å²	117.5	77%	0.765	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-38.3	174.1	-72.8	178	179.4	-179.6	0	112.3	D1330 T1331 N1336	D1330-K1334 PolarHBondContact O-N 3.35Å; T1331-K1334 PolarHBondContact O-N 2.99Å; K1334-N1336 PolarHBondContact O-N 2.66Å
1335	D	34.1	Very low	35.5	Very low	120 Å²	120	123 Å²	123	64%	0.642	63%	0.634	S	S	*	*			trans	-92.1	100.8	-179.7	-51.5	-41	0	0	0	110.3	T1331	T1331-D1335 PolarHBondContact O-N 2.82Å
1336	N	33	Very low	35.2	Very low	136 Å²	136	124.5 Å²	124.5	73%	0.727	64%	0.642	S	S	*	*			trans	-146.7	50.3	175.2	-90.4	-99.6	0	0	0	112.5	T1332 K1334	T1332-N1336 PolarHBondContact O-ND2 3.25Å; K1334-N1336 PolarHBondContact O-N 2.66Å
1337	S	33.5	Very low	34.5	Very low	114 Å²	114	124.9 Å²	124.9	80%	0.797	66%	0.657	S	S	*	*	S	Bend	trans	-70.4	159.5	145.8	48.1	0	0	0	0	109.4
1338	L	28.4	Very low	33.6	Very low	172 Å²	172	128.3 Å²	128.3	90%	0.901	67%	0.67	S	S	*	*			trans	-65.7	135.4	-167.9	-62.6	101.7	0	0	0	113.2
1339	M	28.3	Very low	32.9	Very low	183 Å²	183	132.6 Å²	132.6	90%	0.901	68%	0.684	S	S	*	*			trans	-161.2	178.2	143.8	-108.1	-54.2	163.6	0	0	112
1340	N	32.1	Very low	32.5	Very low	111 Å²	111	139.2 Å²	139.2	59%	0.594	71%	0.714	S	S	*	*			trans	-87.9	153.5	-147.1	-150.7	-22.1	0	0	0	116.2	N1342	N1340-N1342 PolarHBondContact O-N 2.61Å
1341	L	28	Very low	32	Very low	146 Å²	146	144.1 Å²	144.1	76%	0.764	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-5.5	-167.2	-125.2	163.2	0	0	0	114.9
1342	N	32.8	Very low	31.3	Very low	120 Å²	120	149 Å²	149	64%	0.642	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-33.7	-174.9	-80.1	-17.1	0	0	0	114.3	N1340 V1344 Y1345	N1340-N1342 PolarHBondContact O-N 2.61Å; N1342-V1344 VanDerWaalsContact C-N 3.29Å; N1342-V1344 PolarHBondContact O-N 2.92Å; N1342-Y1345 VanDerWaalsContact O-CB 3.24Å; N1342-Y1345 WeakPolarHBondContact O-CB 3.41Å; N1342-Y1345 PolarHBondContact O-N 3.07Å
1343	E	34.7	Very low	31.2	Very low	148 Å²	148	148.4 Å²	148.4	69%	0.692	75%	0.754	S	S	*	*	H	α-helix	trans	-66.4	-33.5	-172.4	-60.3	-174.2	137.7	0	0	112.5	Y1345 N1346	E1343-Y1345 PolarHBondContact O-N 3.02Å; E1343-Y1345 VanDerWaalsContact O-N 3.07Å; E1343-N1346 PolarHBondContact O-N 2.97Å
1344	V	32.5	Very low	31	Very low	124 Å²	124	149.3 Å²	149.3	75%	0.752	77%	0.77	S	S	*	*	H	α-helix	trans	-63	-13.9	175	-176.5	0	0	0	0	112.7	N1342	N1342-V1344 VanDerWaalsContact C-N 3.29Å; N1342-V1344 PolarHBondContact O-N 2.92Å
1345	Y	29	Very low	30.3	Very low	199 Å²	199	147.6 Å²	147.6	78%	0.78	77%	0.769	S	S	*	*	H	α-helix	trans	-84	-30.6	178.2	-151.5	-88.4	0	0	0	113.3	N1342 E1343	N1342-Y1345 VanDerWaalsContact O-CB 3.24Å; N1342-Y1345 WeakPolarHBondContact O-CB 3.41Å; N1342-Y1345 PolarHBondContact O-N 3.07Å; E1343-Y1345 PolarHBondContact O-N 3.02Å; E1343-Y1345 VanDerWaalsContact O-N 3.07Å
1346	N	32.2	Very low	30.3	Very low	132 Å²	132	151.3 Å²	151.3	71%	0.706	78%	0.779	S	S	*	*	H	α-helix	trans	-84.5	-29.4	-167	-75.9	-17.1	0	0	0	114.6	E1343 R1348	E1343-N1346 PolarHBondContact O-N 2.97Å; N1346-R1348 PolarHBondContact O-N 2.8Å
1347	C	29.6	Very low	30.2	Very low	129 Å²	129	152.2 Å²	152.2	87%	0.872	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	40.6	-179.2	-63.9	0	0	0	0	114.3
1348	R	25.4	Very low	30	Very low	201 Å²	201	152.5 Å²	152.5	76%	0.758	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.1	13.5	-174.2	-133.2	-174	-149.7	134.7	22.7	116.8	N1346	N1346-R1348 PolarHBondContact O-N 2.8Å
1349	K	28.5	Very low	30.1	Very low	193 Å²	193	151.1 Å²	151.1	84%	0.839	78%	0.775	S	S	*	*			trans	-129	102.1	165.5	-78.1	-177	175.8	178.6	0	109.8
1350	L	28.5	Very low	30.2	Very low	174 Å²	174	149.3 Å²	149.3	91%	0.911	77%	0.769	S	S	*	*	S	Bend	trans	175.9	151.3	146	-98.3	161.2	0	0	0	110.7
1351	K	29.5	Very low	30.2	Very low	183 Å²	183	149.8 Å²	149.8	80%	0.796	77%	0.772	S	S	*	*			trans	58.8	54	174.6	-67.5	-172.4	175.1	177.9	0	117.8
1352	D	26.7	Very low	30.3	Very low	178 Å²	178	150.8 Å²	150.8	95%	0.952	77%	0.77	S	S	*	*			trans	-82.8	94.4	132	-97.9	-44.9	0	0	0	107.8
1353	S	31	Very low	30.1	Very low	82 Å²	82	152.2 Å²	152.2	57%	0.573	78%	0.777	S	S	*	*			trans	-162.7	137	174.8	59.4	0	0	0	0	113.6
1354	S	30.5	Very low	29.8	Very low	115 Å²	115	151.2 Å²	151.2	80%	0.804	78%	0.781	S	S	*	*			trans	55.7	80.4	162.6	61.7	0	0	0	0	119.5
1355	D	28.2	Very low	29.5	Very low	139 Å²	139	152.3 Å²	152.3	74%	0.743	78%	0.783	S	S	*	*			trans	-67.4	129	137.7	-91.7	-41.8	0	0	0	108.4
1356	K	33.4	Very low	29.4	Very low	198 Å²	198	148.4 Å²	148.4	86%	0.861	79%	0.785	S	S	*	*			trans	173.9	160.7	144.5	-99.9	157.1	-168.8	174.6	0	115.1
1357	N	32.2	Very low	29.2	Very low	155 Å²	155	149.5 Å²	149.5	83%	0.829	79%	0.789	S	S	*	*			trans	75.2	128.6	164.7	-65.9	3.4	0	0	0	118.8
1358	T	28.3	Very low	29.1	Very low	121 Å²	121	149.8 Å²	149.8	74%	0.742	78%	0.781	S	S	*	*			trans	-104.7	169.1	-166.7	46.5	0	0	0	0	112.8
1359	N	29.7	Very low	29.1	Very low	142 Å²	142	147.8 Å²	147.8	76%	0.759	79%	0.786	S	S	*	*			trans	106.1	154.3	150.2	-64.4	-12.4	0	0	0	119.3
1360	N	32.3	Very low	29.1	Very low	145 Å²	145	143.9 Å²	143.9	78%	0.775	77%	0.774	S	S	*	*			trans	79.1	100.3	166.7	-62.9	1.9	0	0	0	118.7
1361	D	31.3	Very low	29.1	Very low	122 Å²	122	143.7 Å²	143.7	65%	0.652	77%	0.773	S	S	*	*			trans	24.1	132	131.9	-81.1	-67.1	0	0	0	122.1
1362	K	30	Very low	28.9	Very low	167 Å²	167	141 Å²	141	73%	0.726	77%	0.768	S	S	*	*			trans	45.3	102.1	133.7	-54.9	173.5	-172	106.3	0	118
1363	N	29.1	Very low	29	Very low	149 Å²	149	137.3 Å²	137.3	80%	0.797	76%	0.762	S	S	*	*				-173	156	113.1	-98	-20.1	0	0	0	113.2
1364	T	28.2	Very low	29	Very low	127 Å²	127	138 Å²	138	78%	0.779	77%	0.766	S	S	*	*			trans	49	139.7	149.7	53.5	0	0	0	0	122.3
1365	D	26.6	Very low	29	Very low	148 Å²	148	138.7 Å²	138.7	79%	0.791	76%	0.757	S	S	*	*			trans	-65.6	179.2	167.1	-54.7	-89.2	0	0	0	114.3
1366	S	27	Very low	29	Very low	117 Å²	117	140.9 Å²	140.9	82%	0.818	76%	0.756	S	S	*	*			trans	72.6	75.7	163.7	65.5	0	0	0	0	119.1
1367	I	26.3	Very low	28.8	Very low	154 Å²	154	136.9 Å²	136.9	79%	0.79	74%	0.744	S	S	*	*			trans	-136	116.8	157.1	-64	-173.3	0	0	0	110
1368	L	27.5	Very low	28.7	Very low	135 Å²	135	135.7 Å²	135.7	71%	0.707	74%	0.742	S	S	*	*			trans	50.5	132.9	167.4	-82.4	69.2	0	0	0	118.8	N1370	L1368-N1370 HydrophobicContact CD2-CB 4.12Å; L1368-N1370 HydrophobicContact CG-CB 4.17Å
1369	N	26.1	Very low	28.8	Very low	159 Å²	159	133.5 Å²	133.5	85%	0.85	74%	0.736	S	S	*	*			cis	48.5	65.1	-3.1	-84.6	15	0	0	0	117.4
1370	N	28.3	Very low	28.9	Very low	112 Å²	112	133.3 Å²	133.3	60%	0.599	73%	0.733	S	S	*	*			trans	-175.8	156.9	137.8	-100.4	-44	0	0	0	111.8	L1368 N1372	L1368-N1370 HydrophobicContact CD2-CB 4.12Å; L1368-N1370 HydrophobicContact CG-CB 4.17Å; N1370-N1372 PolarHBondContact OD1-ND2 2.75Å
1371	L	29.1	Very low	28.7	Very low	170 Å²	170	133.4 Å²	133.4	89%	0.89	73%	0.734	S	S	*	*			trans	95.2	80.4	-164.3	-63.7	166.9	0	0	0	112.5
1372	N	25.6	Very low	28.8	Very low	127 Å²	127	132 Å²	132	68%	0.679	73%	0.734	S	S	*	*			cis	60.2	136	19.6	-87.3	-18.5	0	0	0	116.8	N1370	N1370-N1372 PolarHBondContact OD1-ND2 2.75Å
1373	A	28.9	Very low	28.8	Very low	100 Å²	100	128.7 Å²	128.7	83%	0.826	73%	0.732	S	S	*	*			trans	60.9	141.5	-176	0	0	0	0	0	113.7
1374	S	29.6	Very low	29	Very low	96 Å²	96	128 Å²	128	67%	0.671	73%	0.728	S	S	*	*			cis	-167.3	-177.4	-0.2	47.1	0	0	0	0	106.5
1375	H	30.9	Very low	29	Very low	130 Å²	130	125.4 Å²	125.4	60%	0.602	72%	0.715	S	S	*	*			cis	-157	142.5	17.5	-114.6	-66.6	0	0	0	108.2
1376	Y	29.5	Very low	29.2	Very low	185 Å²	185	124.7 Å²	124.7	73%	0.725	71%	0.71	S	S	*	*			trans	57.9	152.8	132.1	-67.9	-174.2	0	0	0	121.9
1377	D	28.8	Very low	29.3	Very low	114 Å²	114	123.2 Å²	123.2	61%	0.61	70%	0.696	S	S	*	*			cis	-168.1	163.3	-14	-110.6	-5	0	0	0	111.3
1378	V	29.6	Very low	29.4	Very low	129 Å²	129	121.9 Å²	121.9	78%	0.782	69%	0.69	S	S	*	*			trans	65.3	143.9	149.9	167.5	0	0	0	0	116.3
1379	A	30.6	Very low	29.6	Very low	76 Å²	76	121 Å²	121	63%	0.628	69%	0.686	S	S	*	*			cis	-137.2	139.6	17.3	0	0	0	0	0	111.5
1380	I	30.8	Very low	29.9	Very low	137 Å²	137	118.4 Å²	118.4	70%	0.703	68%	0.68	S	S	*	*				83.7	113.5	92.2	-68.9	178.3	0	0	0	115.2
1381	N	29.8	Very low	30.2	Very low	147 Å²	147	120 Å²	120	79%	0.786	69%	0.689	S	S	*	*			trans	63.1	151.8	147.9	-64.8	11.5	0	0	0	120.7
1382	S	32.3	Very low	30.4	Very low	94 Å²	94	119.2 Å²	119.2	66%	0.657	69%	0.686	S	S	*	*			cis	-162.6	145.4	-10.7	39.4	0	0	0	0	111.8
1383	S	30.7	Very low	30.8	Very low	97 Å²	97	117.7 Å²	117.7	68%	0.678	68%	0.683	S	S	*	*			trans	57.3	156.1	140.7	83.1	0	0	0	0	119.1
1384	D	32.3	Very low	31.2	Very low	134 Å²	134	119.1 Å²	119.1	72%	0.717	68%	0.676	S	S	*	*			cis	-154	167.1	15	-86.8	-61.8	0	0	0	108.9
1385	S	29.6	Very low	31.5	Very low	73 Å²	73	122.9 Å²	122.9	51%	0.51	68%	0.683	S	S	.	*			cis	-179.2	152.5	-18.2	61.5	0	0	0	0	110.8
1386	I	30.9	Very low	31.4	Very low	132 Å²	132	122.4 Å²	122.4	68%	0.677	68%	0.684	S	S	*	*			trans	61.6	140.9	137	-67	168.6	0	0	0	119.9
1387	T	28.8	Very low	31.6	Very low	86 Å²	86	118 Å²	118	53%	0.528	68%	0.68	S	S	.	*			cis	-173.7	151.1	-22.5	40.7	0	0	0	0	111.1	I1421	T1387-I1421 HydrophobicContact CG2-CD1 4.48Å
1388	L	28.3	Very low	31.9	Very low	127 Å²	127	120.8 Å²	120.8	67%	0.665	69%	0.687	S	S	*	*			trans	65.7	169.3	140.5	-65.2	166.5	0	0	0	119.9
1389	D	31.3	Very low	32.1	Very low	116 Å²	116	121.5 Å²	121.5	62%	0.62	69%	0.685	S	S	*	*			cis	-153.7	-177.2	11	-145.8	-30.5	0	0	0	114.4	N1391	D1389-N1391 PolarHBondContact OD1-ND2 3.1Å
1390	S	33.1	Very low	32.2	Very low	105 Å²	105	125 Å²	125	73%	0.734	69%	0.691	S	S	*	*			trans	75.6	114.2	174.2	68.9	0	0	0	0	116.4
1391	N	33.3	Very low	32.2	Very low	145 Å²	145	123.4 Å²	123.4	78%	0.775	69%	0.688	S	S	*	*			cis	76.2	109.8	20.7	-60.1	-52.4	0	0	0	117.8	D1389	D1389-N1391 PolarHBondContact OD1-ND2 3.1Å
1392	D	34.4	Very low	32.4	Very low	154 Å²	154	121.9 Å²	121.9	82%	0.824	69%	0.689	S	S	*	*				-166	140.7	116.4	-152.3	11.4	0	0	0	112.2
1393	P	34.3	Very low	32.5	Very low	95 Å²	95	122 Å²	122	62%	0.617	69%	0.69	S	S	*	*			trans	-124	-154.7	-179.6	42.9	-29.5	0	0	0	115
1394	N	36.9	Very low	32.8	Very low	129 Å²	129	122.1 Å²	122.1	69%	0.69	69%	0.689	S	S	*	*			trans	81.1	152.8	-179.4	-45.5	-64.1	0	0	0	115.1
1395	E	34.6	Very low	32.9	Very low	175 Å²	175	125 Å²	125	82%	0.818	69%	0.694	S	S	*	*			cis	-117.3	155.7	-6.5	-76.2	-167.9	114.4	0	0	109.8
1396	I	30.5	Very low	33.2	Very low	120 Å²	120	126.5 Å²	126.5	62%	0.615	71%	0.705	S	S	*	*			cis	91.2	104.1	35	-63.2	177.1	0	0	0	115.1
1397	S	33.2	Very low	33.3	Very low	93 Å²	93	124.8 Å²	124.8	65%	0.65	71%	0.705	S	S	*	*			trans	80.9	162.6	151.8	89.2	0	0	0	0	118.5
1398	K	35.1	Very low	33.2	Very low	172 Å²	172	127.4 Å²	127.4	75%	0.748	72%	0.715	S	S	*	*			cis	-165.3	177.3	7.8	-134.8	156.2	-148.4	157.8	0	110.6
1399	I	33.1	Very low	33.3	Very low	145 Å²	145	129.6 Å²	129.6	74%	0.744	72%	0.719	S	S	*	*			trans	72.1	135.9	146.4	-79.3	162.6	0	0	0	117.9
1400	I	33.1	Very low	33.2	Very low	148 Å²	148	131 Å²	131	76%	0.759	72%	0.722	S	S	*	*			cis	-151.9	176.5	-10.2	-135.5	168.1	0	0	0	114.2
1401	T	31.3	Very low	33	Very low	105 Å²	105	131.3 Å²	131.3	64%	0.644	72%	0.724	S	S	*	*			trans	-78.1	153.8	-163.4	54.3	0	0	0	0	119.4
1402	S	34.1	Very low	32.8	Very low	114 Å²	114	128.7 Å²	128.7	80%	0.797	72%	0.717	S	S	*	*				-166.5	116.4	116.5	58.8	0	0	0	0	110.5
1403	S	33.1	Very low	32.6	Very low	96 Å²	96	126.4 Å²	126.4	67%	0.671	71%	0.709	S	S	*	*			cis	87.9	147.5	45.5	-67.6	0	0	0	0	113.9
1404	P	38.5	Very low	32.3	Very low	101 Å²	101	128.6 Å²	128.6	66%	0.656	72%	0.715	S	S	*	*			cis	-145.3	-170.1	-26.3	36.6	-15.9	0	0	0	115
1405	K	34.5	Very low	32	Very low	193 Å²	193	127.4 Å²	127.4	84%	0.839	72%	0.718	S	S	*	*			trans	78.5	143.3	164.5	-57.1	164.9	-175.6	178.1	0	116.5
1406	S	34.7	Very low	31.8	Very low	106 Å²	106	122.3 Å²	122.3	74%	0.741	71%	0.712	S	S	*	*			cis	-171.4	153.2	-15.2	46.5	0	0	0	0	107.4
1407	S	32.4	Very low	31.8	Very low	96 Å²	96	126 Å²	126	67%	0.671	72%	0.724	S	S	*	*			cis	-153.3	142	6.6	0.8	0	0	0	0	107.2
1408	L	27.8	Very low	31.6	Very low	140 Å²	140	128.3 Å²	128.3	73%	0.733	73%	0.728	S	S	*	*				52.4	130.1	89.7	-67.6	159.5	0	0	0	113.4	Q1410	L1408-Q1410 HydrophobicContact CD2-CG 4.15Å
1409	K	30.9	Very low	31.4	Very low	174 Å²	174	127.3 Å²	127.3	76%	0.757	73%	0.731	S	S	*	*			cis	-127.8	148.8	26.1	-76.4	-167.9	166.4	-171.4	0	112.8
1410	Q	28.1	Very low	31.2	Very low	144 Å²	144	127.3 Å²	127.3	67%	0.673	73%	0.728	S	S	*	*				48.3	132.6	88.1	-41.2	166.5	-60.8	0	0	111.5	L1408	L1408-Q1410 HydrophobicContact CD2-CG 4.15Å
1411	S	29.1	Very low	31	Very low	112 Å²	112	124 Å²	124	78%	0.783	71%	0.712	S	S	*	*			cis	-167	162.9	42.4	40	0	0	0	0	109.8
1412	S	29.1	Very low	30.9	Very low	91 Å²	91	123.4 Å²	123.4	64%	0.636	71%	0.712	S	S	*	*			cis	-173.6	179.2	-8.2	48.3	0	0	0	0	109.4
1413	T	29.5	Very low	30.6	Very low	105 Å²	105	123 Å²	123	64%	0.644	70%	0.704	S	S	*	*			trans	46.6	135.8	137.4	59.4	0	0	0	0	120.5
1414	D	28.8	Very low	30.3	Very low	141 Å²	141	126.7 Å²	126.7	75%	0.754	71%	0.711	S	S	*	*			cis	-166.6	-171.7	-1.7	-110.7	-12	0	0	0	110.1
1415	S	30.5	Very low	29.6	Very low	105 Å²	105	126.3 Å²	126.3	73%	0.734	71%	0.711	S	S	*	*			trans	19.2	131.4	151.4	62.8	0	0	0	0	119.4
1416	G	29.7	Very low	29.2	Very low	67 Å²	67	126 Å²	126	69%	0.691	71%	0.709	S	S	*	*			cis	129.4	-171.9	17.3	0	0	0	0	0	110
1417	F	31.3	Very low	28.8	Very low	198 Å²	198	125.9 Å²	125.9	87%	0.868	70%	0.704	S	S	*	*			trans	63.7	99.9	177.8	-69.9	-80.9	0	0	0	116.6
1418	D	28.6	Very low	28.6	Very low	141 Å²	141	129.8 Å²	129.8	75%	0.754	71%	0.709	S	S	*	*			trans	-46.9	153.1	145.6	-46.9	-94.9	0	0	0	112.9
1419	D	31.1	Very low	28.5	Very low	151 Å²	151	128.8 Å²	128.8	81%	0.807	70%	0.704	S	S	*	*			trans	165.9	108.8	138.2	-83.1	-15.3	0	0	0	107.3
1420	E	28.9	Very low	28.4	Very low	145 Å²	145	125.8 Å²	125.8	68%	0.678	70%	0.703	S	S	*	*				87.9	161.6	76	-137.9	-165.4	-134.6	0	0	113.6
1421	I	29.3	Very low	28.3	Very low	80 Å²	80	124.7 Å²	124.7	41%	0.41	70%	0.701	S	S	.	*			trans	66.5	79.3	166.2	-50.8	-177.4	0	0	0	118.5	T1387	T1387-I1421 HydrophobicContact CG2-CD1 4.48Å
1422	S	27.8	Very low	28.3	Very low	92 Å²	92	126.6 Å²	126.6	64%	0.643	70%	0.702	S	S	*	*				76.2	178.6	120.9	91.1	0	0	0	0	123.2
1423	T	28.6	Very low	28.3	Very low	105 Å²	105	127.1 Å²	127.1	64%	0.644	70%	0.698	S	S	*	*			trans	58.6	106.2	164.1	47.4	0	0	0	0	122.8
1424	Q	26.4	Very low	28.1	Very low	174 Å²	174	129.9 Å²	129.9	81%	0.813	71%	0.708	S	S	*	*				65	103.3	125.3	-62.8	-174.3	11.7	0	0	122
1425	S	25.4	Very low	28.1	Very low	93 Å²	93	127.6 Å²	127.6	65%	0.65	70%	0.703	S	S	*	*				37.9	96.9	128.3	56.8	0	0	0	0	121
1426	K	25.6	Very low	28	Very low	186 Å²	186	127.4 Å²	127.4	81%	0.809	70%	0.702	S	S	*	*			trans	-132.5	121.3	138.2	-63.8	-177.4	-177.7	176.1	0	105.5
1427	T	26.9	Very low	27.9	Very low	104 Å²	104	129.3 Å²	129.3	64%	0.638	70%	0.699	S	S	*	*			cis	62.9	64.3	16.1	39.1	0	0	0	0	115.8
1428	F	26.5	Very low	27.5	Very low	177 Å²	177	125.8 Å²	125.8	78%	0.776	69%	0.694	S	S	*	*			trans	-110.9	126.2	138.1	-80.5	-98.4	0	0	0	106
1429	L	27.3	Very low	27.4	Very low	120 Å²	120	125.6 Å²	125.6	63%	0.628	69%	0.692	S	S	*	*			cis	62.8	104.3	19.8	-56.6	173.1	0	0	0	115.1
1430	P	28.5	Very low	27.1	Very low	111 Å²	111	124.6 Å²	124.6	72%	0.721	69%	0.686	S	S	*	*				-67.1	130.7	119.9	-1.9	22.3	0	0	0	108
1431	L	25	Very low	26.9	Very low	120 Å²	120	127 Å²	127	63%	0.628	69%	0.689	S	S	*	*				56.2	107.9	53.9	-57.2	160.3	0	0	0	108.9
1432	D	30.2	Very low	26.7	Very low	153 Å²	153	129.4 Å²	129.4	82%	0.818	70%	0.703	S	S	*	*			cis	-117.2	174.7	30.7	-76.4	-50.5	0	0	0	114.7
1433	N	27.7	Very low	26.8	Very low	101 Å²	101	132.3 Å²	132.3	54%	0.54	71%	0.711	S	S	.	*			cis	175.7	137.2	-42.7	-115.6	-46.5	0	0	0	107.2
1434	L	26.9	Very low	26.7	Very low	164 Å²	164	131.2 Å²	131.2	86%	0.859	71%	0.708	S	S	*	*			trans	62.9	152.6	166	-59.6	159.8	0	0	0	115.4
1435	S	28.8	Very low	26.9	Very low	92 Å²	92	132.2 Å²	132.2	64%	0.643	71%	0.706	S	S	*	*			cis	-156.1	130.2	-2.9	34	0	0	0	0	107.1
1436	S	26.7	Very low	27	Very low	102 Å²	102	133 Å²	133	71%	0.713	70%	0.703	S	S	*	*				38.2	133.9	99.8	77.7	0	0	0	0	114.8
1437	V	27.8	Very low	27.3	Very low	106 Å²	106	132.2 Å²	132.2	64%	0.642	70%	0.699	S	S	*	*			cis	-148.8	132.2	34.6	-176.9	0	0	0	0	106.2	I1439	V1437-I1439 HydrophobicContact CG1-CD1 4.38Å
1438	T	24	Very low	27.4	Very low	125 Å²	125	131.5 Å²	131.5	77%	0.767	70%	0.704	S	S	*	*				49.2	160.4	86.3	-19.2	0	0	0	0	115.3
1439	I	25.4	Very low	27.6	Very low	137 Å²	137	130 Å²	130	70%	0.703	70%	0.702	S	S	*	*			trans	71.9	84.5	164.2	-53.4	172.8	0	0	0	116	V1437	V1437-I1439 HydrophobicContact CG1-CD1 4.38Å
1440	N	24.5	Very low	27.6	Very low	129 Å²	129	128.5 Å²	128.5	69%	0.69	70%	0.702	S	S	*	*				76.4	154.1	114.7	-124.2	-24.3	0	0	0	121.4
1441	R	25.3	Very low	27.7	Very low	196 Å²	196	130.7 Å²	130.7	74%	0.74	71%	0.707	S	S	*	*			trans	72.1	101.2	153.8	-69.9	170.2	-177.4	163.1	-0.5	120.6
1442	N	25.9	Very low	27.9	Very low	131 Å²	131	127.9 Å²	127.9	70%	0.701	71%	0.707	S	S	*	*				83.8	142.1	114.1	-65.9	6.3	0	0	0	120.1
1443	N	28.9	Very low	27.9	Very low	152 Å²	152	128.7 Å²	128.7	81%	0.813	71%	0.71	S	S	*	*			trans	66.5	144.9	157.3	-59.2	-7.2	0	0	0	116.2
1444	S	26.7	Very low	28.1	Very low	82 Å²	82	128.8 Å²	128.8	57%	0.573	72%	0.719	S	S	*	*			cis	168.4	172.8	-11.7	-173.5	0	0	0	0	104
1445	Y	30.4	Very low	28.1	Very low	195 Å²	195	128.3 Å²	128.3	77%	0.765	72%	0.716	S	S	*	*			trans	83.2	99.9	176.7	-56.6	-68.9	0	0	0	113.4
1446	D	29	Very low	28.1	Very low	110 Å²	110	129.6 Å²	129.6	59%	0.588	72%	0.724	S	S	*	*				87.1	135.4	69.4	-84	8	0	0	0	110.2
1447	K	30.8	Very low	28.1	Very low	170 Å²	170	129 Å²	129	74%	0.739	72%	0.72	S	S	*	*			cis	-143.7	144	10.2	-110.8	146.2	179	120.6	0	108.4
1448	A	28.8	Very low	28.1	Very low	88 Å²	88	132.6 Å²	132.6	73%	0.727	73%	0.727	S	S	*	*				59.5	141.9	102.7	0	0	0	0	0	114.4
1449	I	30.5	Very low	28.4	Very low	147 Å²	147	133.8 Å²	133.8	75%	0.754	73%	0.727	S	S	*	*			cis	-144.9	128.4	33.4	-69.3	173.4	0	0	0	107.3
1450	S	28.2	Very low	28.6	Very low	87 Å²	87	133 Å²	133	61%	0.608	73%	0.725	S	S	*	*				57.2	139.7	94.2	128.4	0	0	0	0	114.9
1451	N	29.6	Very low	28.7	Very low	158 Å²	158	132.2 Å²	132.2	85%	0.845	73%	0.729	S	S	*	*			cis	-162.3	165.5	9	-102.3	-18	0	0	0	111
1452	G	30.9	Very low	28.9	Very low	61 Å²	61	128.4 Å²	128.4	63%	0.629	73%	0.732	S	S	*	*			trans	125.5	101.6	169.4	0	0	0	0	0	113.3
1453	I	30.4	Very low	29	Very low	169 Å²	169	130.9 Å²	130.9	87%	0.867	74%	0.737	S	S	*	*				70.7	121.5	63.4	-56.5	165.2	0	0	0	110.3
1454	S	31.3	Very low	28.9	Very low	104 Å²	104	132 Å²	132	73%	0.727	74%	0.739	S	S	*	*			cis	-145	-175.1	24	-153.6	0	0	0	0	115.7
1455	L	25.8	Very low	28.8	Very low	153 Å²	153	137.4 Å²	137.4	80%	0.801	75%	0.753	S	S	*	*			trans	-44.7	163.4	173.5	-83	57	0	0	0	115.4
1456	C	29.6	Very low	28.6	Very low	119 Å²	119	135 Å²	135	80%	0.804	76%	0.758	S	S	*	*			cis	-141.6	176.5	27.4	-146.5	0	0	0	0	115.4
1457	S	27	Very low	28.4	Very low	91 Å²	91	136.5 Å²	136.5	64%	0.636	77%	0.766	S	S	*	*			trans	-146.3	-169.4	-166.9	64	0	0	0	0	113.2
1458	F	26.9	Very low	28.3	Very low	181 Å²	181	134.8 Å²	134.8	79%	0.794	77%	0.774	S	S	*	*			trans	80.9	142.4	-171.2	-74.5	-116.9	0	0	0	114.2
1459	I	30.6	Very low	28.2	Very low	149 Å²	149	141 Å²	141	76%	0.764	78%	0.779	S	S	*	*			cis	-121.8	148.8	13.9	-66.6	175.7	0	0	0	113.4
1460	N	30	Very low	28.1	Very low	122 Å²	122	141.1 Å²	141.1	65%	0.652	78%	0.781	S	S	*	*			trans	-27	145.1	167.4	-50.2	-45.9	0	0	0	117.4
1461	S	25.6	Very low	28.2	Very low	112 Å²	112	143 Å²	143	78%	0.783	79%	0.789	S	S	*	*			cis	71.1	82.4	34.1	-61.3	0	0	0	0	117.2
1462	S	31	Very low	28.1	Very low	116 Å²	116	139.7 Å²	139.7	81%	0.811	77%	0.771	S	S	*	*			trans	178.5	157.8	152.8	-87.2	0	0	0	0	111.1
1463	K	27	Very low	28.1	Very low	183 Å²	183	140.5 Å²	140.5	80%	0.796	76%	0.761	S	S	*	*			cis	-173.3	157.8	-34.5	-135.7	176.7	-176.8	177.4	0	107.7
1464	M	27	Very low	28.1	Very low	175 Å²	175	136.4 Å²	136.4	86%	0.862	74%	0.744	S	S	*	*			trans	72.1	136.3	159.7	-63.1	-178.9	67.2	0	0	121.2
1465	F	23.7	Very low	28	Very low	195 Å²	195	137.4 Å²	137.4	86%	0.855	74%	0.735	S	S	*	*			trans	-70.9	150.7	163.3	-77.4	-130.8	0	0	0	111.7
1466	V	27.1	Very low	28.2	Very low	144 Å²	144	136.4 Å²	136.4	87%	0.873	73%	0.725	S	S	*	*			trans	-143	146.4	132.3	179.8	0	0	0	0	108.9
1467	N	25.6	Very low	28.2	Very low	142 Å²	142	138.7 Å²	138.7	76%	0.759	72%	0.723	S	S	*	*			trans	-82.3	139.4	175	-109.2	-44.9	0	0	0	111.9
1468	C	28.1	Very low	28.1	Very low	134 Å²	134	145.4 Å²	145.4	91%	0.905	74%	0.735	S	S	*	*			trans	-142.5	140.8	151.6	-99.2	0	0	0	0	110.1
1469	R	27.2	Very low	28.1	Very low	218 Å²	218	147.6 Å²	147.6	82%	0.823	74%	0.739	S	S	*	*			trans	-111.3	144.9	-176	-89.1	-179.1	169.8	171	-4.1	111.2
1470	N	27.9	Very low	27.8	Very low	151 Å²	151	146.4 Å²	146.4	81%	0.807	73%	0.734	S	S	*	*			trans	64.4	157.4	163.7	-48.3	-14.3	0	0	0	113.5
1471	T	30	Very low	27.9	Very low	127 Å²	127	148 Å²	148	78%	0.779	74%	0.741	S	S	*	*			cis	-126.9	-179.3	10	48.3	0	0	0	0	111.9
1472	D	28.4	Very low	28	Very low	88 Å²	88	147.5 Å²	147.5	47%	0.471	73%	0.73	S	S	.	*			trans	-48.2	156.7	168.7	-48.6	-95.5	0	0	0	112.5	F5	F5-D1472 VanDerWaalsContact CE1-OD1 3.32Å; F5-D1472 WeakPolarHBondContact CE1-OD1 3.33Å; F5-D1472 WeakPolarHBondContact CE1-OD2 3.16Å; F5-D1472 WeakPolarHBondContact CZ-OD2 3.14Å
1473	D	29.2	Very low	28	Very low	77 Å²	77	147.6 Å²	147.6	41%	0.412	72%	0.721	S	S	.	*				-178.5	-164.7	69	-105.6	-62.2	0	0	0	112	K8 L9	K8-D1473 WeakPolarHBondContact CB-OD2 3.5Å; L9-D1473 HydrophobicContact CB-CB 3.72Å; L9-D1473 PolarHBondContact N-OD1 2.92Å; L9-D1473 VanDerWaalsContact N-OD1 3.14Å; L9-D1473 PolarHBondContact N-OD2 2.64Å
1474	T	31.7	Very low	28	Very low	83 Å²	83	147.5 Å²	147.5	51%	0.509	72%	0.721	S	S	.	*			trans	117	168.4	134.8	83.4	0	0	0	0	119.3	L9	L9-T1474 HydrophobicContact CB-CG2 3.82Å; L9-T1474 WeakPolarHBondContact O-CA 3.42Å
1475	K	27.7	Very low	28.2	Very low	126 Å²	126	148.8 Å²	148.8	55%	0.548	72%	0.722	S	S	.	*			trans	-115.3	161.5	-163.5	-56.8	166.5	-179.5	158.4	0	110.4	T10	T10-K1475 WeakPolarHBondContact OG1-CE 3.45Å; T10-K1475 PolarHBondContact OG1-NZ 2.64Å
1476	F	30.1	Very low	28.7	Very low	132 Å²	132	145.9 Å²	145.9	58%	0.579	72%	0.716	S	S	*	*				174.8	125.2	113.6	-106.3	-102.5	0	0	0	107.2	P11 L12	P11-F1476 WeakPolarHBondContact O-CE2 3.17Å; L12-F1476 WeakPolarHBondContact O-CE2 3.28Å; L12-F1476 WeakPolarHBondContact O-CZ 3.12Å
1477	H	30.2	Very low	28.7	Very low	167 Å²	167	147.2 Å²	147.2	77%	0.773	72%	0.717	S	S	*	*				64	131.4	79.1	-103.4	-83.9	0	0	0	115.2
1478	R	25.3	Very low	29	Very low	232 Å²	232	149.4 Å²	149.4	88%	0.875	72%	0.72	S	S	*	*			trans	-56.3	142.5	174.8	-63.3	170.9	174.5	155	-4.9	111.1
1479	Y	26.1	Very low	29.1	Very low	226 Å²	226	150.8 Å²	150.8	89%	0.886	71%	0.711	S	S	*	*			trans	-135.1	156	136.5	-114	-86.2	0	0	0	110.5
1480	N	26	Very low	29.3	Very low	124 Å²	124	147.3 Å²	147.3	66%	0.663	71%	0.707	S	S	*	*			trans	-121.3	118.4	-175.7	174.7	65.7	0	0	0	109.3	N1482	N1480-N1482 PolarHBondContact ND2-OD1 2.86Å
1481	I	30.3	Very low	29.6	Very low	156 Å²	156	144.9 Å²	144.9	80%	0.8	70%	0.702	S	S	*	*			trans	-139.8	91.3	168.9	-57.1	179.8	0	0	0	104.2
1482	N	28.5	Very low	29.7	Very low	102 Å²	102	149.1 Å²	149.1	55%	0.545	70%	0.704	S	S	.	*				56.8	125.2	81.3	-85.6	51.7	0	0	0	115.2	N1480	N1480-N1482 PolarHBondContact ND2-OD1 2.86Å
1483	D	29.9	Very low	30	Very low	117 Å²	117	150 Å²	150	63%	0.626	71%	0.707	S	S	*	*			trans	55.4	122.2	145.7	-65.6	-70.3	0	0	0	121.7
1484	K	28.6	Very low	30.3	Very low	181 Å²	181	150 Å²	150	79%	0.787	72%	0.718	S	S	*	*			trans	41.6	110.9	135.6	-55.8	174	-173.6	173.1	0	117.9
1485	F	30.7	Very low	30.2	Very low	203 Å²	203	153.2 Å²	153.2	89%	0.89	73%	0.733	S	S	*	*				-141.9	159.5	129	-117.6	-81	0	0	0	112.7
1486	N	33.5	Very low	30.2	Very low	134 Å²	134	157.3 Å²	157.3	72%	0.717	76%	0.76	S	S	*	*			trans	-70.8	150.7	-149.7	-79.9	-65.1	0	0	0	118.3	K1488	N1486-K1488 PolarHBondContact O-N 3.48Å; N1486-K1488 VanDerWaalsContact O-N 3.07Å
1487	L	28	Very low	30.2	Very low	171 Å²	171	158.6 Å²	158.6	90%	0.895	77%	0.769	S	S	*	*	S	Bend	trans	-51.8	102.1	148.7	-72.5	157.7	0	0	0	110.8
1488	K	31.9	Very low	30.2	Very low	189 Å²	189	158.1 Å²	158.1	82%	0.822	77%	0.769	S	S	*	*			trans	-166.4	-2	152.6	-117.9	170.9	-175.9	178.6	0	117.5	N1486	N1486-K1488 PolarHBondContact O-N 3.48Å; N1486-K1488 VanDerWaalsContact O-N 3.07Å
1489	F	29.6	Very low	30.5	Very low	163 Å²	163	154 Å²	154	72%	0.715	76%	0.763	S	S	*	*	S	Bend	trans	-101	-28.6	-175.7	-157	-103.9	0	0	0	115.1	I1493	F1489-I1493 HydrophobicContact CD1-CD1 4.33Å; F1489-I1493 HydrophobicContact CE1-CD1 4Å
1490	L	32.4	Very low	30.8	Very low	144 Å²	144	149.8 Å²	149.8	75%	0.754	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-82.5	-10.9	-175.8	-69.9	172.8	0	0	0	114.6	R1492	L1490-R1492 PolarHBondContact O-N 2.94Å; L1490-R1492 VanDerWaalsContact O-N 3.12Å
1491	S	33.4	Very low	31.1	Very low	100 Å²	100	151.4 Å²	151.4	70%	0.699	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-81	24.5	174.1	65.1	0	0	0	0	113.7
1492	R	32.5	Very low	31.1	Very low	216 Å²	216	151.1 Å²	151.1	82%	0.815	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-139.2	1.2	176.7	-110.5	-177.5	-179.9	172.3	-0.6	114.2	L1490	L1490-R1492 PolarHBondContact O-N 2.94Å; L1490-R1492 VanDerWaalsContact O-N 3.12Å
1493	I	34.1	Very low	31.3	Very low	106 Å²	106	154.6 Å²	154.6	54%	0.544	77%	0.774	S	S	.	*	S	Bend	trans	-120.9	23.2	177.3	-49.7	175.1	0	0	0	109.1	F1489	F1489-I1493 HydrophobicContact CD1-CD1 4.33Å; F1489-I1493 HydrophobicContact CE1-CD1 4Å
1494	A	34.7	Very low	31.4	Very low	77 Å²	77	157.5 Å²	157.5	64%	0.636	79%	0.786	S	S	*	*	S	Bend	trans	-120.5	17.1	173.3	0	0	0	0	0	111.3
1495	N	29.7	Very low	31.6	Very low	152 Å²	152	155.5 Å²	155.5	81%	0.813	79%	0.786	S	S	*	*			trans	-131.6	14.4	179.8	-82.5	8.7	0	0	0	111.6
1496	D	29.2	Very low	31.7	Very low	211 Å²	211	151.2 Å²	151.2	100%	1.128	78%	0.776	S	S	*	*			trans	-134.3	0	168.5	-82.5	-43.5	0	0	0	106.8

Retrieved 1,496 of 1,496 residues in 1598.1 ms (Link to these results)

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