A0A087YP70_POEFO Loading...

Rab GTPase-activating protein 1

May act as a GTPase-activating protein of RAB6A. May play a role in microtubule nucleation by centrosome. May participate in a RAB6A-mediated pathway involved in the metaphase-anaphase transition.

AlphaFold DB , UniProt , Accession A0A087YP70, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,090 aa.

						>A0A087YP70_POEFO|A0A087YP70
MDDKGSVGKISVSSDSVSTLNSEDFVLVSRLGDETPSSTNNGSDDEKTGLKVISEEGVSFKIVGNGSEQQLQRELEDVLMDPSVADAGLGSEAMSSLGPSDHGVLPNVTSPVPAGTDPLSSPPPKLEMVLPVQTAQESELNERSYRADESSSEGSPCSPIPDEDSVVFSQLTYLGCASVNAPRSEVEALRMMSILRGQCQLPLDVTLSVPGVSEGTVRLLDPHNNTEIANYPIYKILFCVRGHDGTPESDCFAFTESHHNAEIFRIHVFRCQIREAVSRILYSFATAFRRSAKKALLSSQQNAPLTPDSDLFTFTVSLEIREDDGKGTFSAVAKDKDKQSFKLRAGLDKKIVIYIQQTSNKELAIERCFGLLLSPGRNVKNSDMHLLDLESMGKSSDGKSYIITGSWNPNTPQFQAVNEETPKDKFMYMTTAVDLVITEVEEPVRFLLETRVRVCSPNDRLFWPFSKRSYTETFYLKLRQMERKERKSPSSDTLYEVVSLESETEREKRKTTASPSILPSGPGTMAPSPPEDDEEEDNDEPLLSGSGDVSKECAEKILETWGDLLSKWHMNLSVRPRQLPALVRSGIPEALRGEVWQLLAGCHNNDHLVEEYRTLITKESPQDSAITRDINRTFPAHDYFKDTGGDGQDSLYKICKAYSVYDQEIGYCQGQSFLAAVLLLHMPEEQAFSVLVKIMFDYGLRDLFKQNFEDLHCKFFQLERLMQEYIPDLYNHFLNVGLEAHMYASQWFLTLFTAKFPLYMVFHIIDLLLCEGISVIFNVALALLKTSKDDLLQTDFEGALKFFRVPVPKRYRSEENAKKLMELACSMKISQKKLKKFEKEYHTIREQQEQQEAPIERYERENRRLQEANMRLEQENDDLAHELVSSKIALRKDLDNAEEKADALNKELLLTKQKLIESEDEKRRLEEESAQLKEMCRRELDKSESEIKKNGSIIGEYKQICSQLSERLEKQQTATRGELEKIRSKVEGCEKCSSLFNKEGRVRAAVTTAPADGTEETDEEKEGLKNQLREMELELAQTKLQLVEAECKIQDLEHHLGLALNEVQAAKKTWFNRTLSSIKTVTGTQGKETT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	29.9	Very low	218 Å²	218	137.3 Å²	137.3	100%	1.074	79%	0.793	S	S	*	*				0	87.6	0	-72.5	168.6	174.2	0	0	107.2
2	D	34.7	Very low	29.6	Very low	143 Å²	143	137.8 Å²	137.8	77%	0.765	80%	0.799	S	S	*	*			cis	-134.3	129.9	1.9	-62.5	-55.2	0	0	0	108.3
3	D	30.9	Very low	29.4	Very low	109 Å²	109	135.4 Å²	135.4	58%	0.583	80%	0.795	S	S	*	*				62.6	129.7	65.5	-81.6	4.9	0	0	0	112.9
4	K	31.6	Very low	29.4	Very low	186 Å²	186	133.8 Å²	133.8	81%	0.809	80%	0.795	S	S	*	*			cis	-166.8	162.5	1.9	-125.3	162.5	-166.6	145.7	0	112.5
5	G	30	Very low	29.3	Very low	67 Å²	67	134.6 Å²	134.6	69%	0.691	79%	0.794	S	S	*	*			trans	108.9	114	169.1	0	0	0	0	0	113.2
6	S	30.8	Very low	29.3	Very low	119 Å²	119	132.8 Å²	132.8	83%	0.832	79%	0.79	S	S	*	*			cis	69.9	131.9	27.9	-144.4	0	0	0	0	112.9
7	V	29.3	Very low	29.2	Very low	132 Å²	132	133.1 Å²	133.1	80%	0.8	79%	0.793	S	S	*	*			cis	-134.8	147	25.8	177.6	0	0	0	0	112.1
8	G	26.3	Very low	28.9	Very low	73 Å²	73	132.4 Å²	132.4	75%	0.753	80%	0.796	S	S	*	*			trans	-127.5	120.5	167.3	0	0	0	0	0	113.7
9	K	29.2	Very low	28.9	Very low	195 Å²	195	132.4 Å²	132.4	85%	0.848	80%	0.796	S	S	*	*			trans	-152.5	150.3	160.3	-64.7	-168.2	178.1	-178.3	0	104.9
10	I	25.7	Very low	28.7	Very low	165 Å²	165	134.5 Å²	134.5	85%	0.846	80%	0.802	S	S	*	*			cis	-147.7	156.4	47.2	-75.1	166	0	0	0	109.8
11	S	27.2	Very low	28.6	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	80%	0.803	S	S	*	*			trans	-81.8	152.7	174.8	53.4	0	0	0	0	114.3
12	V	26	Very low	28.3	Very low	143 Å²	143	130.1 Å²	130.1	87%	0.867	79%	0.788	S	S	*	*			trans	-164.5	155.3	132.6	133.9	0	0	0	0	109.4
13	S	27.2	Very low	27.9	Very low	107 Å²	107	131.9 Å²	131.9	75%	0.748	79%	0.792	S	S	*	*			trans	-129.1	142.5	178.4	-177.4	0	0	0	0	109.3
14	S	28.7	Very low	27.7	Very low	113 Å²	113	134 Å²	134	79%	0.79	80%	0.803	S	S	*	*			trans	-154.4	151.4	169.9	-71.7	0	0	0	0	110
15	D	28.5	Very low	27.3	Very low	146 Å²	146	135 Å²	135	78%	0.781	81%	0.807	S	S	*	*			trans	-99.2	171.2	-167.4	-61.7	-73.4	0	0	0	115.8
16	S	28.6	Very low	27.1	Very low	106 Å²	106	138 Å²	138	74%	0.741	81%	0.813	S	S	*	*			trans	77.6	106	146.3	59.8	0	0	0	0	122
17	V	27.7	Very low	26.7	Very low	138 Å²	138	139.5 Å²	139.5	84%	0.836	81%	0.81	S	S	*	*				51.9	114.1	128.9	-171.6	0	0	0	0	120.2
18	S	24.7	Very low	26.5	Very low	120 Å²	120	139.1 Å²	139.1	84%	0.839	81%	0.808	S	S	*	*			trans	-151.3	132.3	130.5	58	0	0	0	0	111.1
19	T	28	Very low	26.3	Very low	132 Å²	132	141 Å²	141	81%	0.81	81%	0.809	S	S	*	*			trans	-107.4	125.5	173.7	47.2	0	0	0	0	109.5
20	L	25.8	Very low	26.1	Very low	174 Å²	174	143.4 Å²	143.4	91%	0.911	81%	0.813	S	S	*	*			trans	-144.4	138.6	167.5	-98.5	172.4	0	0	0	110.1
21	N	25.6	Very low	26.1	Very low	153 Å²	153	144.4 Å²	144.4	82%	0.818	82%	0.819	S	S	*	*			trans	-79.3	156	177.6	-60.6	-15.6	0	0	0	110.6
22	S	28.4	Very low	26.1	Very low	109 Å²	109	142.9 Å²	142.9	76%	0.762	82%	0.819	S	S	*	*			trans	-121.1	103.3	165.8	58.8	0	0	0	0	109.8
23	E	26.6	Very low	26.2	Very low	180 Å²	180	143.7 Å²	143.7	84%	0.841	82%	0.819	S	S	*	*			trans	-91.9	122.2	164.7	-62.5	179.9	138.7	0	0	108.1
24	D	26.1	Very low	26.2	Very low	152 Å²	152	147.8 Å²	147.8	81%	0.813	83%	0.826	S	S	*	*			trans	-110.8	112.6	174.3	-100.1	-42.2	0	0	0	109.7
25	F	24.1	Very low	26.1	Very low	207 Å²	207	148.2 Å²	148.2	91%	0.908	82%	0.824	S	S	*	*			trans	-121.6	124.6	172.6	-113.1	-78.7	0	0	0	109.6
26	V	24.4	Very low	26.7	Very low	132 Å²	132	146.3 Å²	146.3	80%	0.8	82%	0.82	S	S	*	*			trans	-122.8	108.2	-176.6	178.1	0	0	0	0	110.9
27	L	23.3	Very low	26.7	Very low	150 Å²	150	146.4 Å²	146.4	79%	0.785	82%	0.82	S	S	*	*			trans	-73.4	168.1	161.6	-69.2	151.7	0	0	0	108.8
28	V	24.1	Very low	26.8	Very low	124 Å²	124	144.3 Å²	144.3	75%	0.752	81%	0.812	S	S	*	*			cis	-164.5	169.9	37.7	-147	0	0	0	0	111.3
29	S	23.4	Very low	27.1	Very low	111 Å²	111	144 Å²	144	78%	0.776	81%	0.805	S	S	*	*			trans	87	134.9	141.9	-66.3	0	0	0	0	122.4
30	R	23.6	Very low	27.3	Very low	246 Å²	246	144.3 Å²	144.3	93%	0.928	80%	0.802	S	S	*	*			trans	-144	122.2	150.6	-101.7	-166.5	175.8	-162.1	0.6	111.2
31	L	26.2	Very low	27.5	Very low	187 Å²	187	143.5 Å²	143.5	98%	0.979	80%	0.798	S	S	*	*			trans	-173.7	135.4	164.1	-104.3	144.3	0	0	0	105.9
32	G	27.2	Very low	27.6	Very low	70 Å²	70	139.9 Å²	139.9	72%	0.722	80%	0.797	S	S	*	*			cis	-153.7	-159.5	-4.5	0	0	0	0	0	110.8
33	D	28.3	Very low	27.8	Very low	161 Å²	161	139.6 Å²	139.6	86%	0.861	80%	0.796	S	S	*	*			trans	-65.6	152.2	-179.3	-72.4	-66.3	0	0	0	114.9
34	E	26.6	Very low	28.1	Very low	193 Å²	193	138 Å²	138	90%	0.902	79%	0.792	S	S	*	*				-158.1	152.6	117.4	-83.4	-130.9	121.3	0	0	111.2
35	T	26.7	Very low	28.5	Very low	122 Å²	122	137.3 Å²	137.3	75%	0.748	79%	0.789	S	S	*	*			trans	-110.9	172.5	172	50.2	0	0	0	0	108.1
36	P	41.8	Very low	28.8	Very low	106 Å²	106	134.1 Å²	134.1	69%	0.688	78%	0.777	S	S	*	*			cis	-155.5	-172.9	30.7	43.2	-20	0	0	0	119.4
37	S	27.8	Very low	29	Very low	107 Å²	107	134.8 Å²	134.8	75%	0.748	77%	0.769	S	S	*	*			trans	69.1	153.8	146.4	67.4	0	0	0	0	121.1
38	S	30.5	Very low	29.2	Very low	95 Å²	95	134.2 Å²	134.2	66%	0.664	77%	0.772	S	S	*	*			cis	-170.9	167.2	-25.3	59.7	0	0	0	0	113.2
39	T	31	Very low	29.3	Very low	113 Å²	113	131.6 Å²	131.6	69%	0.693	77%	0.77	S	S	*	*			trans	70.9	105.5	145.5	44.3	0	0	0	0	124
40	N	32.1	Very low	29.3	Very low	139 Å²	139	134.4 Å²	134.4	74%	0.743	78%	0.775	S	S	*	*				100	148.3	109.5	-80.8	28.8	0	0	0	125.8
41	N	29.7	Very low	29.4	Very low	156 Å²	156	131.9 Å²	131.9	83%	0.834	77%	0.771	S	S	*	*			trans	74.7	130.7	166.3	-53.3	-17.3	0	0	0	116.4
42	G	28.2	Very low	29.4	Very low	77 Å²	77	128.1 Å²	128.1	79%	0.794	76%	0.756	S	S	*	*			cis	103.3	140.6	6.4	0	0	0	0	0	112.4
43	S	31.9	Very low	29.6	Very low	104 Å²	104	132.9 Å²	132.9	73%	0.727	76%	0.763	S	S	*	*			cis	-158.4	-168.3	-4.4	56.2	0	0	0	0	107.4
44	D	33.3	Very low	29.5	Very low	145 Å²	145	129.7 Å²	129.7	78%	0.775	75%	0.753	S	S	*	*			cis	-162.8	171.9	9.4	-96.3	-46.6	0	0	0	105.7
45	D	34.7	Very low	29.8	Very low	138 Å²	138	129.3 Å²	129.3	74%	0.738	75%	0.751	S	S	*	*			cis	-164.9	-149.7	-13.2	174.6	27.7	0	0	0	106
46	E	29.6	Very low	29.9	Very low	140 Å²	140	132.9 Å²	132.9	65%	0.654	76%	0.76	S	S	*	*			trans	89	66.3	168.1	-68.6	-89.2	74	0	0	118.6
47	K	29.7	Very low	29	Very low	147 Å²	147	131.5 Å²	131.5	64%	0.639	76%	0.764	S	S	*	*				85.1	103.4	124.6	-80.1	-172.1	-179	68.9	0	122.8
48	T	27.3	Very low	28.8	Very low	137 Å²	137	133 Å²	133	84%	0.84	77%	0.768	S	S	*	*				63	126.4	125.9	58.3	0	0	0	0	121.1
49	G	24.8	Very low	28.4	Very low	69 Å²	69	133.2 Å²	133.2	71%	0.711	77%	0.77	S	S	*	*			cis	145.7	121.2	-15.6	0	0	0	0	0	116
50	L	25.2	Very low	28	Very low	170 Å²	170	137.5 Å²	137.5	89%	0.89	78%	0.78	S	S	*	*			trans	-174	100.2	146.3	-122.2	75.8	0	0	0	105.3
51	K	25.7	Very low	27.6	Very low	194 Å²	194	139.6 Å²	139.6	84%	0.843	78%	0.782	S	S	*	*				61.8	122.1	81.4	-85.1	-148.2	165.3	-168.9	0	114.3
52	V	24.8	Very low	27.5	Very low	107 Å²	107	140.2 Å²	140.2	65%	0.648	78%	0.784	S	S	*	*			cis	-148.7	152.5	-5	171.4	0	0	0	0	109.4
53	I	31.7	Very low	27.4	Very low	170 Å²	170	142.3 Å²	142.3	87%	0.872	78%	0.781	S	S	*	*			trans	-129.1	125.7	156	-60.3	171.9	0	0	0	107.9
54	S	27.7	Very low	27.3	Very low	94 Å²	94	140.4 Å²	140.4	66%	0.657	78%	0.777	S	S	*	*			trans	169.7	122.7	149.6	56.9	0	0	0	0	112.7
55	E	31	Very low	27.4	Very low	185 Å²	185	141.6 Å²	141.6	86%	0.864	78%	0.783	S	S	*	*			trans	31.6	150.5	136.2	-69.3	171.4	146.3	0	0	125.2
56	E	29.2	Very low	27.4	Very low	198 Å²	198	138.8 Å²	138.8	93%	0.925	79%	0.787	S	S	*	*			trans	58.1	123.3	158.9	-67.1	-162.4	150.8	0	0	123.1
57	G	23.8	Very low	28.2	Very low	76 Å²	76	135.6 Å²	135.6	78%	0.784	78%	0.78	S	S	*	*				105	84.2	114	0	0	0	0	0	119.3
58	V	24.2	Very low	28.7	Very low	138 Å²	138	136.3 Å²	136.3	84%	0.836	79%	0.786	S	S	*	*			trans	-134.7	126.8	154.3	-178.2	0	0	0	0	110.4
59	S	21.1	Very low	29.4	Very low	100 Å²	100	136.4 Å²	136.4	70%	0.699	78%	0.777	S	S	*	*			trans	-83.5	147.5	177.3	168.8	0	0	0	0	112
60	F	22.7	Very low	30.3	Very low	204 Å²	204	138.3 Å²	138.3	90%	0.895	77%	0.767	S	S	*	*			trans	-115.8	145.5	151.3	-97.7	-92	0	0	0	110.9
61	K	23.6	Very low	31.1	Very low	182 Å²	182	136.5 Å²	136.5	79%	0.791	76%	0.758	S	S	*	*			trans	-85.3	136.1	-173.7	-64.7	174.6	177.5	177.3	0	111.2
62	I	26.8	Very low	31.7	Very low	170 Å²	170	133.6 Å²	133.6	87%	0.872	75%	0.747	S	S	*	*			trans	-80.9	128.2	153.4	-61.9	175.5	0	0	0	107.4
63	V	26.7	Very low	32.5	Very low	121 Å²	121	135.7 Å²	135.7	73%	0.733	74%	0.744	S	S	*	*			trans	-106.1	99.9	168.7	177	0	0	0	0	107.2
64	G	29.3	Very low	33.2	Very low	63 Å²	63	132.7 Å²	132.7	65%	0.649	73%	0.726	S	S	*	*			trans	-74.1	139.5	169.3	0	0	0	0	0	110.7
65	N	35.7	Very low	33.6	Very low	170 Å²	170	134.1 Å²	134.1	91%	0.909	73%	0.725	S	S	*	*			trans	-153.5	87.7	169.1	-120.1	-2	0	0	0	109.8
66	G	35.5	Very low	34	Very low	79 Å²	79	132.2 Å²	132.2	81%	0.814	72%	0.717	S	S	*	*			trans	-155.6	123.4	171.2	0	0	0	0	0	106.9
67	S	45.3	Very low	34.6	Very low	73 Å²	73	129.6 Å²	129.6	51%	0.51	71%	0.709	S	S	.	*			trans	-97.5	142.7	-168.4	57.9	0	0	0	0	112.7	Q69 Q70	S67-Q69 PolarHBondContact O-N 3.37Å; S67-Q70 PolarHBondContact O-N 3.23Å
68	E	41	Very low	35.7	Very low	162 Å²	162	132 Å²	132	76%	0.757	71%	0.708	S	S	*	*	H	α-helix	trans	-48	-32.6	177.5	-165.3	170.7	-158.3	0	0	113.1	Q70 Q72	E68-Q70 PolarHBondContact O-N 3.14Å; E68-Q72 WeakPolarHBondContact O-CB 3.22Å; E68-Q72 PolarHBondContact O-N 2.63Å; E68-Q72 VanDerWaalsContact O-N 3.08Å
69	Q	42	Very low	36.4	Very low	139 Å²	139	131.9 Å²	131.9	65%	0.65	70%	0.702	S	S	*	*	H	α-helix	trans	-70.7	-6	178.9	-62.8	-179.1	-6.4	0	0	115.6	S67 R73	S67-Q69 PolarHBondContact O-N 3.37Å; Q69-R73 PolarHBondContact O-NH2 3.41Å
70	Q	43.2	Very low	37.1	Very low	109 Å²	109	135 Å²	135	51%	0.509	71%	0.708	S	S	.	*	H	α-helix	trans	-96.1	-50.8	173	-176.7	165.1	-15.8	0	0	111	S67 E68 Q72 R73 E74	S67-Q70 PolarHBondContact O-N 3.23Å; E68-Q70 PolarHBondContact O-N 3.14Å; Q70-Q72 PolarHBondContact O-N 3.17Å; Q70-R73 WeakPolarHBondContact O-CB 3.42Å; Q70-R73 PolarHBondContact O-N 3.38Å; Q70-E74 VanDerWaalsContact CG-OE1 3.25Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.41Å; Q70-E74 PolarHBondContact NE2-OE1 3.26Å; Q70-E74 PolarHBondContact O-N 2.82Å; Q70-E74 VanDerWaalsContact O-N 3.09Å
71	L	41.4	Very low	37.9	Very low	133 Å²	133	133 Å²	133	70%	0.696	71%	0.706	S	S	*	*	H	α-helix	trans	-51.2	-41	170.5	-99.2	160.8	0	0	0	112.3	R73 L75	L71-R73 PolarHBondContact O-N 3.31Å; L71-L75 WeakPolarHBondContact O-CB 3.1Å; L71-L75 PolarHBondContact O-N 2.8Å
72	Q	39.5	Very low	38.6	Very low	132 Å²	132	129.8 Å²	129.8	62%	0.617	70%	0.704	S	S	*	*	H	α-helix	trans	-74.1	-7.6	-179.8	-161	160.4	32.9	0	0	114.3	E68 Q70	E68-Q72 WeakPolarHBondContact O-CB 3.22Å; E68-Q72 PolarHBondContact O-N 2.63Å; E68-Q72 VanDerWaalsContact O-N 3.08Å; Q70-Q72 PolarHBondContact O-N 3.17Å
73	R	41.6	Very low	38.6	Very low	152 Å²	152	126.8 Å²	126.8	57%	0.574	70%	0.698	S	S	*	*	H	α-helix	trans	-102.2	-41.6	178.2	-154.1	178.1	-51.1	155	15.8	111.7	Q69 Q70 L71 L75 E76 D77	Q69-R73 PolarHBondContact O-NH2 3.41Å; Q70-R73 WeakPolarHBondContact O-CB 3.42Å; Q70-R73 PolarHBondContact O-N 3.38Å; L71-R73 PolarHBondContact O-N 3.31Å; R73-L75 PolarHBondContact O-N 3.09Å; R73-E76 PolarHBondContact O-N 3.1Å; R73-E76 VanDerWaalsContact O-N 3.07Å; R73-D77 PolarHBondContact O-N 3.26Å
74	E	44.9	Very low	38.8	Very low	107 Å²	107	127.7 Å²	127.7	50%	0.5	70%	0.704	S	S	.	*	H	α-helix	trans	-62.2	-21.6	171.4	-69.5	164	-166.4	0	0	111.8	Q70 V78	Q70-E74 VanDerWaalsContact CG-OE1 3.25Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.41Å; Q70-E74 PolarHBondContact NE2-OE1 3.26Å; Q70-E74 PolarHBondContact O-N 2.82Å; Q70-E74 VanDerWaalsContact O-N 3.09Å; E74-V78 WeakPolarHBondContact O-CG2 3.45Å
75	L	37.4	Very low	38.8	Very low	124 Å²	124	129.3 Å²	129.3	65%	0.649	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-18.5	173.9	-160.5	68.3	0	0	0	114.6	L71 R73	L71-L75 WeakPolarHBondContact O-CB 3.1Å; L71-L75 PolarHBondContact O-N 2.8Å; R73-L75 PolarHBondContact O-N 3.09Å
76	E	39.6	Very low	38.4	Very low	145 Å²	145	128.5 Å²	128.5	68%	0.678	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-38	176.3	-72.6	-171.2	130.7	0	0	112.1	R73 V78 L79	R73-E76 PolarHBondContact O-N 3.1Å; R73-E76 VanDerWaalsContact O-N 3.07Å; E76-V78 PolarHBondContact O-N 3.12Å; E76-L79 PolarHBondContact O-N 3.01Å
77	D	41.8	Very low	38.1	Very low	143 Å²	143	129.1 Å²	129.1	77%	0.765	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-17.7	-178.6	-80.6	-21.8	0	0	0	114	R73	R73-D77 PolarHBondContact O-N 3.26Å
78	V	45.9	Very low	37.1	Very low	125 Å²	125	128.8 Å²	128.8	76%	0.758	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-10.2	179.9	177.1	0	0	0	0	112.9	E74 E76	E74-V78 WeakPolarHBondContact O-CG2 3.45Å; E76-V78 PolarHBondContact O-N 3.12Å
79	L	39.1	Very low	36.5	Very low	137 Å²	137	130.1 Å²	130.1	72%	0.717	72%	0.723	S	S	*	*	S	Bend	trans	-106.6	15.7	-168.5	-87.5	168.9	0	0	0	116	E76	E76-L79 PolarHBondContact O-N 3.01Å
80	M	35.7	Very low	35.7	Very low	166 Å²	166	126.8 Å²	126.8	82%	0.818	73%	0.726	S	S	*	*			trans	-126.7	107.3	-178.6	-71.9	-69	159.8	0	0	113.6
81	D	39.3	Very low	34.9	Very low	160 Å²	160	127.3 Å²	127.3	86%	0.856	74%	0.742	S	S	*	*			trans	-93.2	124.4	172.2	179.9	31.8	0	0	0	111
82	P	38.8	Very low	34.1	Very low	116 Å²	116	129.5 Å²	129.5	75%	0.753	75%	0.748	S	S	*	*			trans	-118.2	118.3	-179.3	36.2	-23.9	0	0	0	114.6
83	S	26.8	Very low	33.6	Very low	107 Å²	107	127.3 Å²	127.3	75%	0.748	75%	0.753	S	S	*	*			trans	-94.6	124.9	175.1	66	0	0	0	0	114.3
84	V	31.2	Very low	32.9	Very low	140 Å²	140	128.2 Å²	128.2	85%	0.848	77%	0.766	S	S	*	*			trans	71.2	119.1	144	-179.3	0	0	0	0	120.6
85	A	29.8	Very low	32.1	Very low	96 Å²	96	126.9 Å²	126.9	79%	0.793	77%	0.768	S	S	*	*			trans	68.3	160.1	154.6	0	0	0	0	0	118.4
86	D	27.3	Very low	31.7	Very low	153 Å²	153	126 Å²	126	82%	0.818	77%	0.772	S	S	*	*			cis	-147.4	165.6	3	-166.4	13.2	0	0	0	111.2
87	A	27.5	Very low	31.1	Very low	92 Å²	92	127.1 Å²	127.1	76%	0.76	78%	0.782	S	S	*	*			trans	34.2	144.1	160.2	0	0	0	0	0	122.3
88	G	25.4	Very low	30.2	Very low	66 Å²	66	123.5 Å²	123.5	68%	0.68	78%	0.779	S	S	*	*			cis	153.8	159.2	-0.1	0	0	0	0	0	112.3
89	L	27.8	Very low	30.2	Very low	190 Å²	190	123.2 Å²	123.2	100%	0.995	78%	0.78	S	S	*	*			trans	68.3	140.2	176.4	-52.3	166.7	0	0	0	116.6
90	G	25.1	Very low	29.9	Very low	69 Å²	69	121.5 Å²	121.5	71%	0.711	78%	0.779	S	S	*	*			cis	164.9	163.7	-9.3	0	0	0	0	0	113.4
91	S	26.1	Very low	29.8	Very low	120 Å²	120	119.6 Å²	119.6	84%	0.839	77%	0.772	S	S	*	*			trans	69.8	153.9	173	-109.5	0	0	0	0	117
92	E	25.6	Very low	29.4	Very low	179 Å²	179	120.2 Å²	120.2	84%	0.836	77%	0.769	S	S	*	*			cis	-134.7	167.6	7.6	-68.2	-163.5	121.5	0	0	114.5
93	A	28.1	Very low	28.9	Very low	86 Å²	86	118 Å²	118	71%	0.711	77%	0.768	S	S	*	*			trans	-13.3	160.4	148.7	0	0	0	0	0	120
94	M	28.4	Very low	29	Very low	172 Å²	172	119.7 Å²	119.7	85%	0.847	77%	0.773	S	S	*	*			cis	-168.8	179.8	10.1	-117.5	168.7	52.4	0	0	108.6
95	S	28.3	Very low	29.1	Very low	79 Å²	79	120.8 Å²	120.8	55%	0.552	77%	0.774	S	S	*	*			cis	-167.4	145.7	-5.9	47.3	0	0	0	0	111.1
96	S	28.4	Very low	29.8	Very low	105 Å²	105	122 Å²	122	73%	0.734	77%	0.774	S	S	*	*			trans	57.2	154.9	148.6	70.9	0	0	0	0	120.1
97	L	27.3	Very low	30	Very low	168 Å²	168	122.3 Å²	122.3	88%	0.88	78%	0.775	S	S	*	*			cis	-133.3	155.1	13.6	-73.7	160.8	0	0	0	112.1
98	G	22.5	Very low	30	Very low	68 Å²	68	123.8 Å²	123.8	70%	0.701	77%	0.774	S	S	*	*			trans	-110.7	-142.9	168	0	0	0	0	0	111.7
99	P	46.2	Very low	30.1	Very low	119 Å²	119	126.7 Å²	126.7	77%	0.773	78%	0.779	S	S	*	*			cis	-105	-143.6	-1.5	39.7	-25.9	0	0	0	110.4
100	S	32.3	Very low	30.2	Very low	101 Å²	101	122.9 Å²	122.9	71%	0.706	77%	0.769	S	S	*	*			cis	-171.1	157.2	4.2	36.5	0	0	0	0	109.1
101	D	32.7	Very low	30.8	Very low	125 Å²	125	125.8 Å²	125.8	67%	0.668	78%	0.775	S	S	*	*			cis	-171.3	170.2	-29	-144	-62.6	0	0	0	109.4
102	H	31.3	Very low	31	Very low	173 Å²	173	126.3 Å²	126.3	80%	0.801	77%	0.772	S	S	*	*			trans	66.8	144.3	168.7	-55.2	-4.1	0	0	0	117.9
103	G	28	Very low	31.8	Very low	71 Å²	71	123.5 Å²	123.5	73%	0.732	77%	0.77	S	S	*	*			cis	135	153.8	-0.5	0	0	0	0	0	112.4
104	V	29.8	Very low	31.8	Very low	141 Å²	141	124.3 Å²	124.3	86%	0.855	78%	0.776	S	S	*	*			cis	-155.4	149.3	-3.4	179	0	0	0	0	109
105	L	34.1	Very low	31.7	Very low	164 Å²	164	119.4 Å²	119.4	86%	0.859	77%	0.77	S	S	*	*			trans	-104.9	152.8	168.5	-94.8	172.1	0	0	0	111.8
106	P	44.6	Very low	31.6	Very low	121 Å²	121	122.7 Å²	122.7	79%	0.786	79%	0.787	S	S	*	*			trans	-135.5	155.9	151.7	36.3	-22.3	0	0	0	115.3
107	N	29.5	Very low	31.5	Very low	160 Å²	160	125.1 Å²	125.1	86%	0.856	79%	0.792	S	S	*	*			trans	-150.9	133.8	-178.9	176.8	22.9	0	0	0	109.4
108	V	28.3	Very low	32.1	Very low	122 Å²	122	122.1 Å²	122.1	74%	0.739	78%	0.783	S	S	*	*			trans	-147.2	105.2	-172.1	-176.1	0	0	0	0	115
109	T	26.9	Very low	32.2	Very low	128 Å²	128	126.2 Å²	126.2	79%	0.785	79%	0.787	S	S	*	*			trans	27	142.7	145.4	63.2	0	0	0	0	125.5
110	S	30.8	Very low	31.2	Very low	110 Å²	110	125.4 Å²	125.4	77%	0.769	79%	0.785	S	S	*	*			trans	-74.9	174.6	169.1	-29.3	0	0	0	0	115.9
111	P	38	Very low	30.8	Very low	129 Å²	129	126.2 Å²	126.2	84%	0.838	79%	0.79	S	S	*	*				-148.6	174.5	114.6	39.6	-24.3	0	0	0	116.4
112	V	30	Very low	30.6	Very low	131 Å²	131	125.5 Å²	125.5	79%	0.794	79%	0.792	S	S	*	*			trans	-144.9	149.3	174.5	-163	0	0	0	0	109.3
113	P	42.9	Very low	30.5	Very low	120 Å²	120	123 Å²	123	78%	0.779	79%	0.791	S	S	*	*				-154.2	144.3	119.2	36	-17.1	0	0	0	118.8
114	A	26.7	Very low	30.6	Very low	103 Å²	103	125.5 Å²	125.5	85%	0.851	80%	0.795	S	S	*	*			trans	61.3	134.5	141.3	0	0	0	0	0	124.3
115	G	26.6	Very low	30.3	Very low	69 Å²	69	127 Å²	127	71%	0.711	79%	0.79	S	S	*	*			trans	163.5	74.8	158.5	0	0	0	0	0	120.6
116	T	26.4	Very low	29.9	Very low	149 Å²	149	127.8 Å²	127.8	91%	0.914	79%	0.794	S	S	*	*			trans	54.2	123.5	154.5	51.5	0	0	0	0	123.5
117	D	27.3	Very low	28.9	Very low	156 Å²	156	129 Å²	129	83%	0.834	79%	0.789	S	S	*	*			trans	-74.2	175.2	158.9	-83.8	-61.5	0	0	0	113.6
118	P	38.2	Very low	28.5	Very low	105 Å²	105	130.1 Å²	130.1	68%	0.682	79%	0.792	S	S	*	*			cis	-141.7	177	15.7	43.2	-24.8	0	0	0	119.2
119	L	25.8	Very low	28.4	Very low	153 Å²	153	130.3 Å²	130.3	80%	0.801	79%	0.793	S	S	*	*			trans	81.2	122	148.2	-113.9	84.1	0	0	0	122.6
120	S	25	Very low	28.3	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	79%	0.793	S	S	*	*			trans	92.4	149	136.7	80.6	0	0	0	0	122.5
121	S	24.7	Very low	28.1	Very low	117 Å²	117	132 Å²	132	82%	0.818	80%	0.795	S	S	*	*			trans	80.5	164.7	171.6	91.2	0	0	0	0	115.9
122	P	28	Very low	27.4	Very low	110 Å²	110	132 Å²	132	71%	0.714	79%	0.792	S	S	*	*				-126.9	167.3	-111.4	35.4	-17	0	0	0	116.1
123	P	29.6	Very low	27.2	Very low	120 Å²	120	135.1 Å²	135.1	78%	0.779	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-66.4	149.5	168.6	29.5	-35.1	0	0	0	111.9
124	P	29.5	Very low	26.3	Very low	125 Å²	125	135.8 Å²	135.8	81%	0.812	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-80	159.5	-170.2	32.3	-36.7	0	0	0	114.1
125	K	23.1	Very low	26.3	Very low	173 Å²	173	135.6 Å²	135.6	75%	0.752	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-65.5	147.9	168.1	-62.7	177.1	175.3	-177.3	0	111.3	E127	K125-E127 HydrophobicContact CB-CG 4.47Å; K125-E127 HydrophobicContact CD-CG 4.42Å; K125-E127 IonicContact NZ-OE1 2.64Å; K125-E127 PolarHBondContact NZ-OE1 2.83Å
126	L	25.1	Very low	26.3	Very low	180 Å²	180	140.3 Å²	140.3	94%	0.942	80%	0.802	S	S	*	*			trans	-106.8	115.7	153.5	-81.8	163.7	0	0	0	108.1
127	E	23.7	Very low	26.1	Very low	145 Å²	145	140.9 Å²	140.9	68%	0.678	79%	0.794	S	S	*	*			trans	-93.2	128.3	174.9	-69	179.5	161	0	0	109.3	K125	K125-E127 HydrophobicContact CB-CG 4.47Å; K125-E127 HydrophobicContact CD-CG 4.42Å; K125-E127 IonicContact NZ-OE1 2.64Å; K125-E127 PolarHBondContact NZ-OE1 2.83Å
128	M	23	Very low	26	Very low	185 Å²	185	138.1 Å²	138.1	91%	0.911	79%	0.787	S	S	*	*			trans	-79.1	124	168.7	-83.3	172.9	51.7	0	0	109.5
129	V	25.8	Very low	25.3	Very low	125 Å²	125	141.6 Å²	141.6	76%	0.758	79%	0.794	S	S	*	*			trans	-116.7	120.4	172.3	179	0	0	0	0	109.2
130	L	24.3	Very low	25.3	Very low	151 Å²	151	141.1 Å²	141.1	79%	0.791	79%	0.791	S	S	*	*			trans	-82.9	129.4	170.7	-70.5	166.8	0	0	0	109.9	V132	L130-V132 PolarHBondContact O-N 2.9Å
131	P	26	Very low	25.4	Very low	124 Å²	124	142.9 Å²	142.9	81%	0.805	79%	0.793	S	S	*	*			trans	-88.1	103.6	169.6	32.6	-29.9	0	0	0	110.9
132	V	24.9	Very low	25.4	Very low	129 Å²	129	142.7 Å²	142.7	78%	0.782	78%	0.779	S	S	*	*			trans	-102.9	128.7	155.9	176.3	0	0	0	0	107.3	L130	L130-V132 PolarHBondContact O-N 2.9Å
133	Q	25.4	Very low	25.4	Very low	195 Å²	195	147.1 Å²	147.1	91%	0.911	78%	0.782	S	S	*	*			trans	-134.3	132.5	167.3	-76.2	-165.9	-16.7	0	0	111.7
134	T	23	Very low	25.2	Very low	134 Å²	134	145.6 Å²	145.6	82%	0.822	77%	0.774	S	S	*	*			trans	-86.4	154.9	173.6	46.2	0	0	0	0	111.1
135	A	26.9	Very low	25.1	Very low	100 Å²	100	150.2 Å²	150.2	83%	0.826	78%	0.777	S	S	*	*			trans	-78.3	152.9	-179.2	0	0	0	0	0	113.9
136	Q	25.8	Very low	25.3	Very low	167 Å²	167	152.6 Å²	152.6	78%	0.78	78%	0.781	S	S	*	*			trans	-152.7	140.6	152.7	-124.2	-173.2	-47.6	0	0	112.3
137	E	24	Very low	25.4	Very low	161 Å²	161	148.1 Å²	148.1	75%	0.752	77%	0.77	S	S	*	*			trans	14.9	145	137.8	-68.5	165.9	150.9	0	0	119.8
138	S	24.8	Very low	25.5	Very low	98 Å²	98	147.3 Å²	147.3	69%	0.685	77%	0.77	S	S	*	*			cis	-175.9	153	7	47.6	0	0	0	0	112.7
139	E	23.9	Very low	25.6	Very low	179 Å²	179	147.3 Å²	147.3	84%	0.836	77%	0.768	S	S	*	*			trans	60.4	152.1	158.6	-60.8	-179.8	179	0	0	118
140	L	25.5	Very low	25.6	Very low	142 Å²	142	147 Å²	147	74%	0.743	77%	0.771	S	S	*	*			cis	-145.1	153	25.4	-78.7	166.3	0	0	0	113
141	N	25.8	Very low	25.7	Very low	140 Å²	140	145.7 Å²	145.7	75%	0.749	78%	0.775	S	S	*	*			trans	18.6	151.3	140.1	-82.5	-17.6	0	0	0	122.7
142	E	26.7	Very low	25.8	Very low	114 Å²	114	145.5 Å²	145.5	53%	0.533	78%	0.776	S	S	.	*			cis	-162.8	155.6	18.4	-136.5	-171.5	-172.3	0	0	113.4
143	R	27.5	Very low	26.2	Very low	203 Å²	203	149.2 Å²	149.2	77%	0.766	79%	0.785	S	S	*	*			trans	56.9	136.6	153.4	-75	163.6	-174.9	148.3	3.7	118.8
144	S	25	Very low	26.2	Very low	87 Å²	87	143.1 Å²	143.1	61%	0.608	77%	0.774	S	S	*	*			cis	-169.8	-177.9	-3.2	-125.3	0	0	0	0	107.7
145	Y	27.5	Very low	26.6	Very low	223 Å²	223	142.3 Å²	142.3	88%	0.875	77%	0.774	S	S	*	*			cis	-135	-114.1	16.2	-117.1	-59.4	0	0	0	110.9
146	R	27.9	Very low	27.2	Very low	222 Å²	222	143.8 Å²	143.8	84%	0.838	78%	0.776	S	S	*	*			trans	-154	174	175.4	-57.7	-172.3	179.9	167.4	-4.1	107.7
147	A	25.9	Very low	27.2	Very low	86 Å²	86	141.5 Å²	141.5	71%	0.711	78%	0.777	S	S	*	*			cis	-156.8	172.4	17.4	0	0	0	0	0	109.9
148	D	26.4	Very low	27.5	Very low	129 Å²	129	138 Å²	138	69%	0.69	77%	0.769	S	S	*	*			cis	-165.6	-164	-38	-76.7	-37.9	0	0	0	102.6
149	E	25.2	Very low	28	Very low	185 Å²	185	139.5 Å²	139.5	86%	0.864	78%	0.777	S	S	*	*			cis	-161.1	115.2	3.8	178.5	175.9	-109.5	0	0	108
150	S	25.9	Very low	28.6	Very low	119 Å²	119	137.3 Å²	137.3	83%	0.832	77%	0.77	S	S	*	*			trans	-169.1	123.7	161.7	64.8	0	0	0	0	114.3
151	S	26.8	Very low	29.3	Very low	123 Å²	123	135.1 Å²	135.1	86%	0.86	76%	0.764	S	S	*	*			trans	-173.2	151.4	156.3	58.2	0	0	0	0	112.5
152	S	27.8	Very low	30.6	Very low	120 Å²	120	132.1 Å²	132.1	84%	0.839	75%	0.748	S	S	*	*			trans	-171.7	107.9	140.1	60.6	0	0	0	0	110.9
153	E	33.1	Very low	31.7	Very low	207 Å²	207	136.2 Å²	136.2	97%	0.967	77%	0.767	S	S	*	*			trans	-121.9	165.5	165.3	-91.4	-157.1	149.6	0	0	110.3
154	G	25.4	Very low	33.4	Very low	66 Å²	66	131.1 Å²	131.1	68%	0.68	76%	0.755	S	S	*	*			trans	171	140.3	167.1	0	0	0	0	0	110
155	S	30.9	Very low	36	Very low	118 Å²	118	128.3 Å²	128.3	83%	0.825	74%	0.736	S	S	*	*			cis	-155.2	165.3	3.2	-84.2	0	0	0	0	109.9
156	P	40.1	Very low	38.8	Very low	131 Å²	131	120.4 Å²	120.4	85%	0.851	71%	0.711	S	S	*	*			trans	-80.4	164.1	-166.8	32.5	-37.6	0	0	0	115.1
157	C	25.3	Very low	41.7	Very low	119 Å²	119	114 Å²	114	80%	0.804	70%	0.695	S	S	*	*			trans	-132.3	159.2	174	-162.9	0	0	0	0	111.2
158	S	30	Very low	44.7	Very low	86 Å²	86	110.6 Å²	110.6	60%	0.601	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-69	153.2	-175.6	50.9	0	0	0	0	114.1	I160	S158-I160 PolarHBondContact O-N 3.15Å
159	P	35.9	Very low	47.6	Very low	130 Å²	130	108.2 Å²	108.2	84%	0.844	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-62.5	128.1	172.6	27.6	-34.6	0	0	0	110.9
160	I	35.5	Very low	50.5	Low	133 Å²	133	104.2 Å²	104.2	68%	0.682	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-94.3	136.6	179.2	-56.4	175.4	0	0	0	108.1	S158	S158-I160 PolarHBondContact O-N 3.15Å
161	P	41.7	Very low	53.6	Low	96 Å²	96	98.7 Å²	98.7	62%	0.623	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-65.4	135.8	170.4	-16.9	30.6	0	0	0	110.9	E163	P161-E163 PolarHBondContact O-N 3Å
162	D	51.3	Low	56.7	Low	78 Å²	78	93.4 Å²	93.4	42%	0.417	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-60.8	120.3	177.7	-48.5	-88.5	0	0	0	110.2	D164 S165 R218	D162-D164 PolarHBondContact O-N 3.21Å; D162-S165 VanDerWaalsContact O-CB 3.23Å; D162-S165 WeakPolarHBondContact O-CB 3.45Å; D162-S165 PolarHBondContact O-N 2.8Å; D162-S165 PolarHBondContact O-OG 3.15Å; D162-R218 IonicContact OD2-CZ 3.31Å; D162-R218 IonicContact OD2-NH1 3.67Å; D162-R218 PolarHBondContact OD2-NH1 2.87Å; D162-R218 IonicContact OD2-NH2 2.73Å; D162-R218 PolarHBondContact OD2-NH2 2.91Å
163	E	51.7	Low	59.7	Low	200 Å²	200	89.4 Å²	89.4	94%	0.935	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-25	-164.7	-70.3	-164.2	130.4	0	0	115.2	P161 S165	P161-E163 PolarHBondContact O-N 3Å; E163-S165 VanDerWaalsContact C-N 3.32Å; E163-S165 PolarHBondContact O-N 2.66Å
164	D	62.7	Low	62.4	Low	95 Å²	95	80.5 Å²	80.5	51%	0.508	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	14	177.9	-87.2	-16.3	0	0	0	113.3	D162 G211 K293	D162-D164 PolarHBondContact O-N 3.21Å; D164-G211 VanDerWaalsContact O-CA 3.32Å; D164-G211 WeakPolarHBondContact O-CA 3.45Å; D164-G211 PolarHBondContact O-N 3.13Å; D164-K293 IonicContact OD2-NZ 3.02Å; D164-K293 PolarHBondContact OD2-NZ 3.41Å
165	S	78.9	Confident	65.4	Low	29 Å²	29	78.2 Å²	78.2	20%	0.203	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-87	136.9	-174.9	-60.1	0	0	0	0	115.3	D162 E163	D162-S165 VanDerWaalsContact O-CB 3.23Å; D162-S165 WeakPolarHBondContact O-CB 3.45Å; D162-S165 PolarHBondContact O-N 2.8Å; D162-S165 PolarHBondContact O-OG 3.15Å; E163-S165 VanDerWaalsContact C-N 3.32Å; E163-S165 PolarHBondContact O-N 2.66Å
166	V	86.8	Confident	68.2	Low	57 Å²	57	75.1 Å²	75.1	35%	0.345	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.6	176.8	-173	0	0	0	0	110.8	F168 V209	V166-F168 HydrophobicContact CB-CE2 4.15Å; V166-F168 HydrophobicContact CB-CZ 4.49Å; V166-F168 HydrophobicContact CG1-CD2 4.41Å; V166-F168 HydrophobicContact CG1-CE1 4.32Å; V166-F168 HydrophobicContact CG1-CE2 3.64Å; V166-F168 HydrophobicContact CG1-CZ 3.59Å; V166-V209 PolarHBondContact N-O 3.16Å; V166-V209 PolarHBondContact O-N 3.21Å
167	V	88.5	Confident	70.5	Confident	86 Å²	86	70.2 Å²	70.2	52%	0.521	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.3	-175.6	-174.9	0	0	0	0	111.8	T206 L207	V167-T206 HydrophobicContact CG1-CG2 3.29Å; V167-L207 CarbonylContact C-O 3.59Å; V167-L207 WeakPolarHBondContact CA-O 3.35Å
168	F	89.9	Confident	73.5	Confident	16 Å²	16	68.3 Å²	68.3	7%	0.07	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	108.2	-179.1	-61.3	-85.6	0	0	0	110.9	V166 L171 T206 L207 V209 R279 I280 S283	V166-F168 HydrophobicContact CB-CE2 4.15Å; V166-F168 HydrophobicContact CB-CZ 4.49Å; V166-F168 HydrophobicContact CG1-CD2 4.41Å; V166-F168 HydrophobicContact CG1-CE1 4.32Å; V166-F168 HydrophobicContact CG1-CE2 3.64Å; V166-F168 HydrophobicContact CG1-CZ 3.59Å; F168-L171 HydrophobicContact CB-CD1 3.96Å; F168-T206 CarbonylContact O-C 3.58Å; F168-T206 WeakPolarHBondContact O-CA 3.31Å; F168-L207 HydrophobicContact CB-CB 4.49Å; F168-L207 PolarHBondContact N-O 2.72Å; F168-L207 PolarHBondContact O-N 2.85Å; F168-V209 HydrophobicContact CD2-CG2 4.23Å; F168-V209 HydrophobicContact CE2-CB 4.4Å; F168-V209 HydrophobicContact CE2-CG2 4.16Å; F168-R279 HydrophobicContact CE1-CB 3.94Å; F168-I280 HydrophobicContact CB-CD1 4.29Å; F168-I280 HydrophobicContact CB-CG1 4.11Å; F168-I280 HydrophobicContact CD1-CD1 4.18Å; F168-I280 HydrophobicContact CD1-CG1 3.42Å; F168-I280 VanDerWaalsContact CD1-CG1 3.42Å; F168-I280 HydrophobicContact CD2-CG1 3.86Å; F168-I280 HydrophobicContact CE1-CG1 3.64Å; F168-I280 HydrophobicContact CE2-CG1 4.06Å; F168-I280 HydrophobicContact CG-CD1 4.22Å; F168-I280 HydrophobicContact CG-CG1 3.53Å; F168-I280 HydrophobicContact CZ-CB 4.46Å; F168-I280 HydrophobicContact CZ-CG1 3.94Å; F168-S283 WeakPolarHBondContact CZ-OG 3.5Å
169	S	86.7	Confident	76.2	Confident	78 Å²	78	64.5 Å²	64.5	55%	0.545	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	178	172.2	57.6	0	0	0	0	111.7	L171	S169-L171 VanDerWaalsContact C-N 3.32Å; S169-L171 PolarHBondContact O-N 2.64Å
170	Q	86.3	Confident	78.4	Confident	102 Å²	102	65.9 Å²	65.9	48%	0.477	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	60.7	39.2	-178.5	-56.6	-179.2	-13.5	0	0	113.5	Q272	Q170-Q272 HydrophobicContact CB-CB 4.13Å; Q170-Q272 HydrophobicContact CB-CG 4.33Å; Q170-Q272 WeakPolarHBondContact O-CG 3.44Å; Q170-Q272 PolarHBondContact O-N 2.79Å
171	L	90.2	Very high	80.8	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.01	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	145.3	171.9	-55.9	-177.1	0	0	0	109.6	F168 S169 D204 V205 L207 F252 R270 C271 I280	F168-L171 HydrophobicContact CB-CD1 3.96Å; S169-L171 VanDerWaalsContact C-N 3.32Å; S169-L171 PolarHBondContact O-N 2.64Å; L171-D204 WeakPolarHBondContact O-CA 3.46Å; L171-V205 HydrophobicContact CB-CG2 3.99Å; L171-V205 PolarHBondContact N-O 3.3Å; L171-V205 WeakPolarHBondContact O-CG2 3.16Å; L171-V205 PolarHBondContact O-N 3.41Å; L171-V205 VanDerWaalsContact O-O 3.13Å; L171-L207 HydrophobicContact CD1-CB 3.56Å; L171-L207 HydrophobicContact CD1-CD2 4.38Å; L171-F252 HydrophobicContact CD1-CE1 4.3Å; L171-F252 HydrophobicContact CD1-CZ 4.36Å; L171-F252 HydrophobicContact CD2-CE1 4.4Å; L171-R270 CarbonylContact C-O 3.59Å; L171-R270 WeakPolarHBondContact CA-O 3.13Å; L171-C271 HydrophobicContact CD2-CB 3.99Å; L171-C271 WeakPolarHBondContact CD2-SG 3.38Å; L171-I280 HydrophobicContact CD1-CD1 4Å; L171-I280 HydrophobicContact CD2-CD1 3.71Å; L171-I280 HydrophobicContact CG-CD1 4.49Å
172	T	90.9	Very high	82.8	Confident	13 Å²	13	58 Å²	58	8%	0.08	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.8	176.1	-52.5	0	0	0	0	108.2	P202 L203 D204 R270	T172-P202 HydrophobicContact CG2-CB 3.33Å; T172-L203 CarbonylContact C-O 3.6Å; T172-L203 WeakPolarHBondContact CA-O 3.35Å; T172-D204 WeakPolarHBondContact CB-OD1 3.33Å; T172-D204 PolarHBondContact OG1-OD1 2.86Å; T172-R270 PolarHBondContact N-O 2.79Å; T172-R270 PolarHBondContact O-N 3.03Å
173	Y	92.5	Very high	84.6	Confident	36 Å²	36	63 Å²	63	14%	0.141	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	125.9	174.1	-178.8	-128.3	0	0	0	109.7	G175 C176 L203 H267 V268 F269	Y173-G175 VanDerWaalsContact CE2-O 3.27Å; Y173-G175 WeakPolarHBondContact CE2-O 3.43Å; Y173-C176 WeakPolarHBondContact OH-CB 3.38Å; Y173-L203 HydrophobicContact CD1-CD2 4.38Å; Y173-L203 PolarHBondContact N-O 3.1Å; Y173-L203 PolarHBondContact O-N 3.16Å; Y173-H267 HydrophobicContact CE2-CB 4.14Å; Y173-H267 AromaticContact CZ-ND1 3.86Å; Y173-H267 PolarHBondContact OH-ND1 2.83Å; Y173-V268 VanDerWaalsContact CD2-O 3.32Å; Y173-V268 WeakPolarHBondContact CD2-O 3.48Å; Y173-F269 AromaticContact CD2-CD1 3.72Å; Y173-F269 HydrophobicContact CD2-CD1 3.72Å; Y173-F269 AromaticContact CD2-CE1 3.35Å; Y173-F269 HydrophobicContact CD2-CE1 3.35Å; Y173-F269 HydrophobicContact CD2-CE2 4.3Å; Y173-F269 HydrophobicContact CD2-CG 4.33Å; Y173-F269 AromaticContact CD2-CZ 3.68Å; Y173-F269 HydrophobicContact CD2-CZ 3.68Å; Y173-F269 HydrophobicContact CE2-CE1 4.03Å; Y173-F269 HydrophobicContact CE2-CE2 4.39Å; Y173-F269 AromaticContact CE2-CZ 3.88Å; Y173-F269 HydrophobicContact CE2-CZ 3.88Å; Y173-F269 HydrophobicContact CG-CD1 4.37Å; Y173-F269 HydrophobicContact CG-CE1 4.05Å
174	L	89	Confident	86.4	Confident	19 Å²	19	55.6 Å²	55.6	10%	0.099	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-12.6	-178.5	-61.2	-179.3	0	0	0	112.8	R196 C199 V268 R270	L174-R196 HydrophobicContact CD1-CB 3.97Å; L174-R196 HydrophobicContact CD1-CG 4.15Å; L174-C199 HydrophobicContact CB-CB 4.49Å; L174-C199 HydrophobicContact CD2-CB 4.07Å; L174-V268 HydrophobicContact CB-CB 4.41Å; L174-V268 HydrophobicContact CB-CG1 4.41Å; L174-V268 HydrophobicContact CD1-CG1 4.05Å; L174-V268 PolarHBondContact N-O 2.77Å; L174-R270 HydrophobicContact CD1-CB 4.04Å; L174-R270 HydrophobicContact CD2-CB 4.24Å; L174-R270 HydrophobicContact CG-CB 4.14Å
175	G	88.2	Confident	87.6	Confident	19 Å²	19	55.8 Å²	55.8	20%	0.196	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	120.3	-171.2	178.7	0	0	0	0	0	113.6	Y173 V268	Y173-G175 VanDerWaalsContact CE2-O 3.27Å; Y173-G175 WeakPolarHBondContact CE2-O 3.43Å; G175-V268 PolarHBondContact O-N 3.47Å
176	C	90	Very high	88.1	Confident	53 Å²	53	60 Å²	60	36%	0.358	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.8	177.3	59.5	0	0	0	0	112.8	Y173 I266	Y173-C176 WeakPolarHBondContact OH-CB 3.38Å; C176-I266 CarbonylContact C-O 3.53Å; C176-I266 WeakPolarHBondContact CA-O 3.32Å; C176-I266 WeakPolarHBondContact CB-O 3.43Å
177	A	89	Confident	88.2	Confident	27 Å²	27	59.1 Å²	59.1	22%	0.223	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	155.1	174.1	0	0	0	0	0	110.6	M191 L195 R265 I266	A177-M191 HydrophobicContact CB-SD 3.9Å; A177-L195 HydrophobicContact CB-CD1 4.17Å; A177-R265 CarbonylContact O-C 3.59Å; A177-R265 VanDerWaalsContact O-CA 3.29Å; A177-R265 WeakPolarHBondContact O-CA 3.48Å; A177-I266 HydrophobicContact CB-CG2 4.28Å; A177-I266 PolarHBondContact N-O 2.65Å; A177-I266 VanDerWaalsContact N-O 3.14Å; A177-I266 PolarHBondContact O-N 2.74Å
178	S	87.8	Confident	88.2	Confident	80 Å²	80	55.2 Å²	55.2	56%	0.559	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	142.9	170.6	-57.2	0	0	0	0	110.7	F264	S178-F264 CarbonylContact C-O 3.02Å; S178-F264 VanDerWaalsContact CA-O 3.31Å; S178-F264 WeakPolarHBondContact CA-O 3.37Å
179	V	86.7	Confident	88.2	Confident	5 Å²	5	56 Å²	56	3%	0.03	32%	0.316	C	S	.	.			trans	-133.1	133.4	-179.9	-68.9	0	0	0	0	112.1	E187 M191 T255 F264 I266	V179-E187 HydrophobicContact CG1-CG 4.45Å; V179-M191 HydrophobicContact CG1-CG 3.73Å; V179-M191 HydrophobicContact CG1-SD 4.41Å; V179-T255 HydrophobicContact CG2-CG2 4.14Å; V179-F264 HydrophobicContact CG2-CB 3.98Å; V179-F264 PolarHBondContact N-O 3.07Å; V179-I266 HydrophobicContact CG1-CB 3.99Å; V179-I266 HydrophobicContact CG1-CG2 3.71Å; V179-I266 HydrophobicContact CG2-CB 4.44Å
180	N	81.9	Confident	88.4	Confident	159 Å²	159	58.5 Å²	58.5	85%	0.85	31%	0.313	S	S	*	.	S	Bend	trans	-81.4	-20.1	-179.1	-62.4	1.6	0	0	0	112.7
181	A	85.4	Confident	88.6	Confident	43 Å²	43	54.3 Å²	54.3	36%	0.355	29%	0.294	S	S	.	.			trans	-126.1	76.8	-176.7	0	0	0	0	0	110.7	R183 S184	A181-R183 PolarHBondContact O-N 2.67Å; A181-S184 WeakPolarHBondContact O-CB 3.26Å; A181-S184 PolarHBondContact O-N 3.1Å
182	P	84.1	Confident	88.7	Confident	22 Å²	22	54.2 Å²	54.2	14%	0.143	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.1	-166.6	26.3	-37.8	0	0	0	115.9	L237 F238 T255 F264	P182-L237 HydrophobicContact CB-CD1 4.01Å; P182-L237 HydrophobicContact CG-CD1 4.35Å; P182-F238 WeakPolarHBondContact O-CB 3.48Å; P182-T255 WeakPolarHBondContact O-CB 3.4Å; P182-T255 WeakPolarHBondContact O-CG2 3.17Å; P182-T255 PolarHBondContact O-OG1 2.97Å; P182-F264 HydrophobicContact CB-CB 3.8Å; P182-F264 HydrophobicContact CB-CD1 3.93Å; P182-F264 HydrophobicContact CB-CD2 4.08Å; P182-F264 HydrophobicContact CB-CG 3.65Å; P182-F264 HydrophobicContact CG-CB 4.31Å; P182-F264 HydrophobicContact CG-CD1 3.91Å; P182-F264 HydrophobicContact CG-CD2 3.62Å; P182-F264 HydrophobicContact CG-CE1 4.11Å; P182-F264 HydrophobicContact CG-CE2 3.85Å; P182-F264 HydrophobicContact CG-CG 3.65Å; P182-F264 HydrophobicContact CG-CZ 4.09Å
183	R	88.6	Confident	88.6	Confident	183 Å²	183	56.2 Å²	56.2	69%	0.691	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	9.3	176.6	-63.1	-176.1	177.3	164.5	3.5	113.6	A181 F238	A181-R183 PolarHBondContact O-N 2.67Å; R183-F238 HydrophobicContact CG-CB 4.36Å
184	S	89.4	Confident	88.5	Confident	43 Å²	43	57.3 Å²	57.3	30%	0.301	32%	0.315	S	S	.	.			trans	-85.9	111.8	178.4	176.4	0	0	0	0	110.8	A181 V186 E187 A188	A181-S184 WeakPolarHBondContact O-CB 3.26Å; A181-S184 PolarHBondContact O-N 3.1Å; S184-V186 VanDerWaalsContact C-N 3.27Å; S184-V186 PolarHBondContact O-N 3.45Å; S184-E187 PolarHBondContact O-N 2.93Å; S184-E187 PolarHBondContact OG-N 2.78Å; S184-A188 WeakPolarHBondContact O-CB 3.33Å; S184-A188 PolarHBondContact O-N 2.56Å
185	E	89.1	Confident	88.5	Confident	99 Å²	99	57.4 Å²	57.4	46%	0.463	32%	0.316	S	S	.	.	H	α-helix	trans	-58.5	-39	174	-176.6	167	-136.6	0	0	111.9	E187 A188 L189 F238 V240	E185-E187 PolarHBondContact O-N 2.77Å; E185-A188 PolarHBondContact O-N 2.8Å; E185-L189 HydrophobicContact CG-CD1 3.94Å; E185-L189 HydrophobicContact CG-CG 4.4Å; E185-L189 WeakPolarHBondContact O-CB 3.26Å; E185-L189 VanDerWaalsContact O-CG 3.26Å; E185-L189 WeakPolarHBondContact O-CG 3.15Å; E185-L189 PolarHBondContact O-N 2.75Å; E185-F238 HydrophobicContact CB-CE1 4.19Å; E185-F238 HydrophobicContact CB-CZ 4.12Å; E185-V240 HydrophobicContact CG-CG2 4Å
186	V	88.8	Confident	88.4	Confident	117 Å²	117	60 Å²	60	71%	0.709	32%	0.32	S	S	*	.	H	α-helix	trans	-62.6	-44.2	178	-177.9	0	0	0	0	111.4	S184 R190	S184-V186 VanDerWaalsContact C-N 3.27Å; S184-V186 PolarHBondContact O-N 3.45Å; V186-R190 WeakPolarHBondContact O-CB 3.47Å; V186-R190 PolarHBondContact O-N 3.2Å
187	E	89.4	Confident	88.1	Confident	39 Å²	39	60.8 Å²	60.8	18%	0.182	34%	0.337	C	S	.	.	H	α-helix	trans	-70.6	-38.7	178.1	-177.8	64.9	172.5	0	0	111.5	V179 S184 E185 R190 M191	V179-E187 HydrophobicContact CG1-CG 4.45Å; S184-E187 PolarHBondContact O-N 2.93Å; S184-E187 PolarHBondContact OG-N 2.78Å; E185-E187 PolarHBondContact O-N 2.77Å; E187-R190 VanDerWaalsContact CD-NH2 3.31Å; E187-R190 WeakPolarHBondContact O-CB 3.26Å; E187-R190 PolarHBondContact O-N 3.32Å; E187-R190 IonicContact OE1-CZ 2.87Å; E187-R190 IonicContact OE1-NE 2.86Å; E187-R190 IonicContact OE1-NH2 3.18Å; E187-R190 PolarHBondContact OE1-NH2 3.42Å; E187-R190 IonicContact OE2-CZ 2.81Å; E187-R190 IonicContact OE2-NE 3.55Å; E187-R190 PolarHBondContact OE2-NE 3.05Å; E187-R190 IonicContact OE2-NH2 2.69Å; E187-R190 PolarHBondContact OE2-NH2 2.95Å; E187-R190 VanDerWaalsContact OE2-NH2 3.12Å; E187-M191 WeakPolarHBondContact O-CG 3.29Å; E187-M191 PolarHBondContact O-N 3.3Å
188	A	88.5	Confident	87.8	Confident	5 Å²	5	65.9 Å²	65.9	4%	0.041	36%	0.356	C	S	.	.	H	α-helix	trans	-66.7	-38.8	178.3	0	0	0	0	0	112.3	S184 E185 M191 M192 V240 I266	S184-A188 WeakPolarHBondContact O-CB 3.33Å; S184-A188 PolarHBondContact O-N 2.56Å; E185-A188 PolarHBondContact O-N 2.8Å; A188-M191 PolarHBondContact O-N 2.84Å; A188-M192 WeakPolarHBondContact O-CB 3.46Å; A188-M192 PolarHBondContact O-N 2.78Å; A188-V240 HydrophobicContact CB-CB 4.44Å; A188-V240 HydrophobicContact CB-CG1 3.72Å; A188-I266 HydrophobicContact CB-CD1 3.63Å
189	L	90.5	Very high	87.5	Confident	33 Å²	33	64 Å²	64	17%	0.173	34%	0.342	C	S	.	.	H	α-helix	trans	-66.5	-39.4	171.2	-71.5	169.1	0	0	0	112	E185 M192 S193 V240	E185-L189 HydrophobicContact CG-CD1 3.94Å; E185-L189 HydrophobicContact CG-CG 4.4Å; E185-L189 WeakPolarHBondContact O-CB 3.26Å; E185-L189 VanDerWaalsContact O-CG 3.26Å; E185-L189 WeakPolarHBondContact O-CG 3.15Å; E185-L189 PolarHBondContact O-N 2.75Å; L189-M192 PolarHBondContact O-N 3.03Å; L189-S193 PolarHBondContact O-N 3.36Å; L189-V240 HydrophobicContact CD2-CG2 4.23Å; L189-V240 HydrophobicContact CG-CG2 4.29Å
190	R	90.6	Very high	86.4	Confident	129 Å²	129	72.6 Å²	72.6	49%	0.487	38%	0.382	S	S	.	.	H	α-helix	trans	-59.5	-47.6	173.9	-171.2	179	74.7	97.2	-6.9	111.3	V186 E187 S193 I194	V186-R190 WeakPolarHBondContact O-CB 3.47Å; V186-R190 PolarHBondContact O-N 3.2Å; E187-R190 VanDerWaalsContact CD-NH2 3.31Å; E187-R190 WeakPolarHBondContact O-CB 3.26Å; E187-R190 PolarHBondContact O-N 3.32Å; E187-R190 IonicContact OE1-CZ 2.87Å; E187-R190 IonicContact OE1-NE 2.86Å; E187-R190 IonicContact OE1-NH2 3.18Å; E187-R190 PolarHBondContact OE1-NH2 3.42Å; E187-R190 IonicContact OE2-CZ 2.81Å; E187-R190 IonicContact OE2-NE 3.55Å; E187-R190 PolarHBondContact OE2-NE 3.05Å; E187-R190 IonicContact OE2-NH2 2.69Å; E187-R190 PolarHBondContact OE2-NH2 2.95Å; E187-R190 VanDerWaalsContact OE2-NH2 3.12Å; R190-S193 PolarHBondContact O-N 3.19Å; R190-I194 HydrophobicContact CG-CD1 4.01Å; R190-I194 VanDerWaalsContact O-CG1 3.31Å; R190-I194 WeakPolarHBondContact O-CG1 3.22Å; R190-I194 PolarHBondContact O-N 2.62Å; R190-I194 VanDerWaalsContact O-N 3.07Å
191	M	89.8	Confident	85.9	Confident	15 Å²	15	72.5 Å²	72.5	7%	0.074	38%	0.38	C	S	.	.	H	α-helix	trans	-63.7	-39.9	175.7	-71.7	-60.9	113.5	0	0	112.7	A177 V179 E187 A188 S193 I194 L195 I266	A177-M191 HydrophobicContact CB-SD 3.9Å; V179-M191 HydrophobicContact CG1-CG 3.73Å; V179-M191 HydrophobicContact CG1-SD 4.41Å; E187-M191 WeakPolarHBondContact O-CG 3.29Å; E187-M191 PolarHBondContact O-N 3.3Å; A188-M191 PolarHBondContact O-N 2.84Å; M191-S193 PolarHBondContact O-N 3.04Å; M191-I194 HydrophobicContact CE-CD1 3.93Å; M191-I194 PolarHBondContact O-N 3.47Å; M191-L195 WeakPolarHBondContact O-CB 3.4Å; M191-L195 PolarHBondContact O-N 3.01Å; M191-I266 HydrophobicContact CB-CD1 4.09Å; M191-I266 HydrophobicContact CB-CG2 3.77Å; M191-I266 HydrophobicContact CG-CG2 3.89Å
192	M	91.8	Very high	85.3	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-60	-44.1	176.9	-175.2	178.5	-64.3	0	0	111.8	A188 L189 R196 V240 E248 C251 A253 V268	A188-M192 WeakPolarHBondContact O-CB 3.46Å; A188-M192 PolarHBondContact O-N 2.78Å; L189-M192 PolarHBondContact O-N 3.03Å; M192-R196 WeakPolarHBondContact O-CB 3.49Å; M192-R196 PolarHBondContact O-N 3.39Å; M192-R196 VanDerWaalsContact O-N 3.1Å; M192-V240 HydrophobicContact CE-CG1 3.85Å; M192-E248 HydrophobicContact CG-CB 4.17Å; M192-E248 HydrophobicContact CG-CG 4.13Å; M192-E248 HydrophobicContact SD-CB 3.87Å; M192-E248 HydrophobicContact SD-CG 4.43Å; M192-C251 HydrophobicContact CE-CB 4.42Å; M192-C251 HydrophobicContact CG-CB 3.81Å; M192-C251 HydrophobicContact SD-CB 3.55Å; M192-C251 VanDerWaalsContact SD-CB 3.55Å; M192-A253 HydrophobicContact CE-CB 3.67Å; M192-V268 HydrophobicContact CB-CG1 4.31Å; M192-V268 HydrophobicContact CG-CG1 3.91Å
193	S	89.3	Confident	85.4	Confident	55 Å²	55	77.2 Å²	77.2	39%	0.385	40%	0.403	S	S	.	.	H	α-helix	trans	-67	-43.5	176.5	-159.8	0	0	0	0	112.1	L189 R190 M191 R196 G197 E248	L189-S193 PolarHBondContact O-N 3.36Å; R190-S193 PolarHBondContact O-N 3.19Å; M191-S193 PolarHBondContact O-N 3.04Å; S193-R196 PolarHBondContact O-N 3.46Å; S193-G197 PolarHBondContact O-N 3.4Å; S193-E248 WeakPolarHBondContact CB-OE1 3.41Å; S193-E248 PolarHBondContact OG-OE1 3.08Å
194	I	89.7	Confident	85.4	Confident	58 Å²	58	72.4 Å²	72.4	30%	0.297	39%	0.391	S	S	.	.	H	α-helix	trans	-62.1	-53	178.8	-70.8	169.3	0	0	0	111.6	R190 M191 R196 G197 Q198	R190-I194 HydrophobicContact CG-CD1 4.01Å; R190-I194 VanDerWaalsContact O-CG1 3.31Å; R190-I194 WeakPolarHBondContact O-CG1 3.22Å; R190-I194 PolarHBondContact O-N 2.62Å; R190-I194 VanDerWaalsContact O-N 3.07Å; M191-I194 HydrophobicContact CE-CD1 3.93Å; M191-I194 PolarHBondContact O-N 3.47Å; I194-R196 VanDerWaalsContact C-N 3.31Å; I194-R196 PolarHBondContact O-N 2.82Å; I194-G197 CarbonylContact O-C 3.59Å; I194-G197 PolarHBondContact O-N 2.97Å; I194-Q198 HydrophobicContact CG2-CG 4.4Å; I194-Q198 WeakPolarHBondContact O-CB 3.1Å; I194-Q198 WeakPolarHBondContact O-CG 3.11Å; I194-Q198 PolarHBondContact O-N 3.32Å
195	L	89.1	Confident	85.5	Confident	21 Å²	21	70.4 Å²	70.4	11%	0.11	38%	0.377	C	S	.	.	H	α-helix	trans	-66.2	-33.7	-178.7	-72.6	167.2	0	0	0	111.8	A177 M191 G197 Q198 C199 V268	A177-L195 HydrophobicContact CB-CD1 4.17Å; M191-L195 WeakPolarHBondContact O-CB 3.4Å; M191-L195 PolarHBondContact O-N 3.01Å; L195-G197 VanDerWaalsContact C-N 3.3Å; L195-G197 PolarHBondContact O-N 3.5Å; L195-Q198 PolarHBondContact O-N 3.25Å; L195-C199 WeakPolarHBondContact O-CB 3.32Å; L195-C199 PolarHBondContact O-N 2.88Å; L195-V268 HydrophobicContact CB-CB 4.49Å; L195-V268 HydrophobicContact CB-CG2 4.42Å; L195-V268 HydrophobicContact CD1-CB 4.17Å; L195-V268 HydrophobicContact CD1-CG2 3.52Å
196	R	86.4	Confident	85.6	Confident	75 Å²	75	66.1 Å²	66.1	28%	0.283	36%	0.358	S	S	.	.	H	α-helix	trans	-65.8	-29.6	171.9	-168.3	178.8	-167.4	-73.9	0.5	113.2	L174 M192 S193 I194 P247 D250	L174-R196 HydrophobicContact CD1-CB 3.97Å; L174-R196 HydrophobicContact CD1-CG 4.15Å; M192-R196 WeakPolarHBondContact O-CB 3.49Å; M192-R196 PolarHBondContact O-N 3.39Å; M192-R196 VanDerWaalsContact O-N 3.1Å; S193-R196 PolarHBondContact O-N 3.46Å; I194-R196 VanDerWaalsContact C-N 3.31Å; I194-R196 PolarHBondContact O-N 2.82Å; R196-P247 PolarHBondContact NE-O 2.72Å; R196-P247 VanDerWaalsContact NE-O 3.17Å; R196-P247 PolarHBondContact NH2-O 3.24Å; R196-D250 IonicContact CZ-OD1 2.87Å; R196-D250 IonicContact NE-OD1 3.16Å; R196-D250 PolarHBondContact NE-OD1 2.86Å; R196-D250 VanDerWaalsContact NE-OD1 3.08Å; R196-D250 VanDerWaalsContact NH2-CG 3.29Å; R196-D250 IonicContact NH2-OD1 2.67Å; R196-D250 PolarHBondContact NH2-OD1 2.7Å; R196-D250 IonicContact NH2-OD2 2.79Å; R196-D250 PolarHBondContact NH2-OD2 2.67Å
197	G	83.3	Confident	85.7	Confident	69 Å²	69	60.6 Å²	60.6	71%	0.711	32%	0.324	S	S	*	.	H	α-helix	trans	-84.5	-21.6	174.1	0	0	0	0	0	114.9	S193 I194 L195	S193-G197 PolarHBondContact O-N 3.4Å; I194-G197 CarbonylContact O-C 3.59Å; I194-G197 PolarHBondContact O-N 2.97Å; L195-G197 VanDerWaalsContact C-N 3.3Å; L195-G197 PolarHBondContact O-N 3.5Å
198	Q	84.4	Confident	85.9	Confident	133 Å²	133	59.1 Å²	59.1	62%	0.621	32%	0.318	S	S	*	.	H	α-helix	trans	-105	-12.6	-174	-69.7	-179.8	-8.7	0	0	114.8	I194 L195 Q200	I194-Q198 HydrophobicContact CG2-CG 4.4Å; I194-Q198 WeakPolarHBondContact O-CB 3.1Å; I194-Q198 WeakPolarHBondContact O-CG 3.11Å; I194-Q198 PolarHBondContact O-N 3.32Å; L195-Q198 PolarHBondContact O-N 3.25Å; Q198-Q200 PolarHBondContact O-N 3.23Å; Q198-Q200 VanDerWaalsContact O-N 3.08Å
199	C	80.6	Confident	85.9	Confident	41 Å²	41	58.9 Å²	58.9	28%	0.277	32%	0.316	S	S	.	.			trans	-65.3	106.9	-179.4	-172.4	0	0	0	0	112.2	L174 L195	L174-C199 HydrophobicContact CB-CB 4.49Å; L174-C199 HydrophobicContact CD2-CB 4.07Å; L195-C199 WeakPolarHBondContact O-CB 3.32Å; L195-C199 PolarHBondContact O-N 2.88Å
200	Q	64.3	Low	85.7	Confident	186 Å²	186	57.4 Å²	57.4	87%	0.869	31%	0.309	S	S	*	.	S	Bend	trans	-94.5	-18.1	175.8	-61.5	-173.9	17.8	0	0	113.6	Q198	Q198-Q200 PolarHBondContact O-N 3.23Å; Q198-Q200 VanDerWaalsContact O-N 3.08Å
201	L	71.3	Confident	85	Confident	156 Å²	156	52.5 Å²	52.5	82%	0.817	30%	0.298	S	S	*	.	S	Bend	trans	-133.9	89.4	-177.8	-86.7	158.4	0	0	0	109
202	P	72.4	Confident	84.3	Confident	86 Å²	86	53.7 Å²	53.7	56%	0.558	31%	0.306	S	S	*	.			trans	-67	129.7	175.7	25.3	-32.1	0	0	0	110.9	T172	T172-P202 HydrophobicContact CG2-CB 3.33Å
203	L	85.5	Confident	83.5	Confident	79 Å²	79	54.7 Å²	54.7	41%	0.414	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	111.1	172.6	-179	68.8	0	0	0	109.2	T172 Y173 V205 I228	T172-L203 CarbonylContact C-O 3.6Å; T172-L203 WeakPolarHBondContact CA-O 3.35Å; Y173-L203 HydrophobicContact CD1-CD2 4.38Å; Y173-L203 PolarHBondContact N-O 3.1Å; Y173-L203 PolarHBondContact O-N 3.16Å; L203-V205 HydrophobicContact CD2-CG1 4.04Å; L203-V205 HydrophobicContact CG-CG1 3.89Å; L203-I228 HydrophobicContact CD2-CG2 4.47Å
204	D	89.4	Confident	82.7	Confident	82 Å²	82	58 Å²	58	44%	0.439	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	133.4	174.4	-78	-21.4	0	0	0	111	L171 T172 P222	L171-D204 WeakPolarHBondContact O-CA 3.46Å; T172-D204 WeakPolarHBondContact CB-OD1 3.33Å; T172-D204 PolarHBondContact OG1-OD1 2.86Å; D204-P222 WeakPolarHBondContact O-CD 2.94Å
205	V	91.3	Very high	82.3	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.4	-166.3	-66.8	0	0	0	0	111.5	L171 L203 L219 I228 F269	L171-V205 HydrophobicContact CB-CG2 3.99Å; L171-V205 PolarHBondContact N-O 3.3Å; L171-V205 WeakPolarHBondContact O-CG2 3.16Å; L171-V205 PolarHBondContact O-N 3.41Å; L171-V205 VanDerWaalsContact O-O 3.13Å; L203-V205 HydrophobicContact CD2-CG1 4.04Å; L203-V205 HydrophobicContact CG-CG1 3.89Å; V205-L219 HydrophobicContact CB-CD1 3.82Å; V205-L219 HydrophobicContact CB-CD2 4.46Å; V205-L219 HydrophobicContact CB-CG 3.98Å; V205-L219 HydrophobicContact CG1-CD1 4.34Å; V205-L219 HydrophobicContact CG1-CD2 4.08Å; V205-L219 HydrophobicContact CG1-CG 4.03Å; V205-L219 HydrophobicContact CG2-CD1 3.81Å; V205-L219 HydrophobicContact CG2-CG 4.4Å; V205-I228 HydrophobicContact CG1-CD1 3.9Å; V205-F269 HydrophobicContact CG2-CD1 4.37Å
206	T	90.3	Very high	82.2	Confident	9 Å²	9	56.5 Å²	56.5	6%	0.055	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.6	171.1	-66	0	0	0	0	109	V167 F168 L220	V167-T206 HydrophobicContact CG1-CG2 3.29Å; F168-T206 CarbonylContact O-C 3.58Å; F168-T206 WeakPolarHBondContact O-CA 3.31Å; T206-L220 PolarHBondContact N-O 2.65Å; T206-L220 PolarHBondContact O-N 2.96Å
207	L	92.4	Very high	82.4	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.2	-177.5	-172.1	81.3	0	0	0	110.5	V167 F168 L171 V209 V217 L219 F252 I280 F284	V167-L207 CarbonylContact C-O 3.59Å; V167-L207 WeakPolarHBondContact CA-O 3.35Å; F168-L207 HydrophobicContact CB-CB 4.49Å; F168-L207 PolarHBondContact N-O 2.72Å; F168-L207 PolarHBondContact O-N 2.85Å; L171-L207 HydrophobicContact CD1-CB 3.56Å; L171-L207 HydrophobicContact CD1-CD2 4.38Å; L207-V209 HydrophobicContact CD2-CG2 3.59Å; L207-V209 HydrophobicContact CG-CG2 3.94Å; L207-V217 HydrophobicContact CD1-CG1 3.5Å; L207-V217 HydrophobicContact CG-CG1 4.01Å; L207-L219 HydrophobicContact CB-CD1 4.41Å; L207-L219 HydrophobicContact CD1-CD1 3.65Å; L207-F252 HydrophobicContact CD2-CE2 4.37Å; L207-F252 HydrophobicContact CD2-CZ 4Å; L207-I280 HydrophobicContact CD2-CG2 4.05Å; L207-F284 HydrophobicContact CD2-CE2 3.82Å; L207-F284 HydrophobicContact CD2-CZ 4.09Å
208	S	92.3	Very high	82.8	Confident	8 Å²	8	52.7 Å²	52.7	6%	0.056	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	115.4	169.2	-175.1	0	0	0	0	109.6	V217 R218	S208-V217 CarbonylContact O-C 3.59Å; S208-V217 VanDerWaalsContact O-CA 3.29Å; S208-V217 WeakPolarHBondContact O-CA 3.24Å; S208-R218 PolarHBondContact N-O 2.74Å; S208-R218 PolarHBondContact O-N 2.73Å
209	V	89.7	Confident	83.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.9	176.1	-176	0	0	0	0	108.7	V166 F168 L207 V217 F284 A287	V166-V209 PolarHBondContact N-O 3.16Å; V166-V209 PolarHBondContact O-N 3.21Å; F168-V209 HydrophobicContact CD2-CG2 4.23Å; F168-V209 HydrophobicContact CE2-CB 4.4Å; F168-V209 HydrophobicContact CE2-CG2 4.16Å; L207-V209 HydrophobicContact CD2-CG2 3.59Å; L207-V209 HydrophobicContact CG-CG2 3.94Å; V209-V217 HydrophobicContact CG1-CG2 4.44Å; V209-V217 HydrophobicContact CG2-CG1 4.36Å; V209-F284 HydrophobicContact CG1-CD1 4.44Å; V209-F284 HydrophobicContact CG1-CG 4.39Å; V209-F284 HydrophobicContact CG2-CD2 4.34Å; V209-F284 HydrophobicContact CG2-CE2 4.03Å; V209-F284 HydrophobicContact CG2-CZ 4.24Å; V209-A287 HydrophobicContact CG1-CB 4.39Å
210	P	86.8	Confident	83.5	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.019	25%	0.247	C	C	.	.			trans	-69.2	150.6	-178.4	31.1	-36.7	0	0	0	111.3	V212 I233 A287	P210-V212 HydrophobicContact CB-CG2 4.44Å; P210-V212 PolarHBondContact O-N 3.04Å; P210-I233 HydrophobicContact CG-CD1 4.26Å; P210-I233 HydrophobicContact CG-CG1 3.75Å; P210-A287 VanDerWaalsContact O-CB 3.28Å; P210-A287 WeakPolarHBondContact O-CB 3.49Å
211	G	74.8	Confident	84.6	Confident	25 Å²	25	38.7 Å²	38.7	26%	0.258	22%	0.216	S	C	.	.	S	Bend	trans	-75.4	3	173.4	0	0	0	0	0	115.2	D164	D164-G211 VanDerWaalsContact O-CA 3.32Å; D164-G211 WeakPolarHBondContact O-CA 3.45Å; D164-G211 PolarHBondContact O-N 3.13Å
212	V	75.5	Confident	85.3	Confident	41 Å²	41	33.8 Å²	33.8	25%	0.248	19%	0.193	C	C	.	.	S	Bend	trans	-136.6	152.2	-170.8	-66	0	0	0	0	112.6	P210 E214 G215	P210-V212 HydrophobicContact CB-CG2 4.44Å; P210-V212 PolarHBondContact O-N 3.04Å; V212-E214 VanDerWaalsContact C-N 3.31Å; V212-E214 PolarHBondContact O-N 3.49Å; V212-G215 PolarHBondContact O-N 3.1Å
213	S	74.3	Confident	85.7	Confident	20 Å²	20	37.8 Å²	37.8	14%	0.14	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-20.9	-176.7	46.4	0	0	0	0	115.2	I233 A287	S213-I233 WeakPolarHBondContact O-CG2 3.29Å; S213-A287 WeakPolarHBondContact CA-O 3.45Å; S213-A287 VanDerWaalsContact CB-O 3.29Å; S213-A287 WeakPolarHBondContact CB-O 3.19Å; S213-A287 PolarHBondContact N-O 2.91Å
214	E	73.4	Confident	85.6	Confident	126 Å²	126	38 Å²	38	59%	0.589	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-9.3	178.2	-63.6	174.2	162.3	0	0	112.5	V212	V212-E214 VanDerWaalsContact C-N 3.31Å; V212-E214 PolarHBondContact O-N 3.49Å
215	G	80.8	Confident	85	Confident	11 Å²	11	39.4 Å²	39.4	11%	0.113	21%	0.213	C	C	.	.			trans	-80.9	171.1	-173.2	0	0	0	0	0	115	V212 I233	V212-G215 PolarHBondContact O-N 3.1Å; G215-I233 WeakPolarHBondContact O-CB 3.19Å; G215-I233 VanDerWaalsContact O-CG1 3.27Å; G215-I233 WeakPolarHBondContact O-CG1 3.45Å; G215-I233 PolarHBondContact O-N 2.81Å
216	T	86.8	Confident	84.7	Confident	36 Å²	36	43.1 Å²	43.1	22%	0.221	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.3	177.7	-45.7	0	0	0	0	110.8	R218 N230 P232	T216-R218 PolarHBondContact O-N 3.27Å; T216-N230 HydrophobicContact CG2-CB 3.66Å; T216-P232 HydrophobicContact CG2-CG 4.22Å
217	V	90.4	Very high	84.4	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	118.3	169.6	179	0	0	0	0	108	L207 S208 V209 N230 Y231 I233 I236 F284	L207-V217 HydrophobicContact CD1-CG1 3.5Å; L207-V217 HydrophobicContact CG-CG1 4.01Å; S208-V217 CarbonylContact O-C 3.59Å; S208-V217 VanDerWaalsContact O-CA 3.29Å; S208-V217 WeakPolarHBondContact O-CA 3.24Å; V209-V217 HydrophobicContact CG1-CG2 4.44Å; V209-V217 HydrophobicContact CG2-CG1 4.36Å; V217-N230 CarbonylContact O-C 3.56Å; V217-N230 WeakPolarHBondContact O-CA 3.41Å; V217-Y231 WeakPolarHBondContact CB-O 3.48Å; V217-Y231 PolarHBondContact N-O 2.76Å; V217-Y231 PolarHBondContact O-N 3.43Å; V217-I233 HydrophobicContact CG2-CD1 3.43Å; V217-I233 VanDerWaalsContact CG2-CD1 3.43Å; V217-I233 HydrophobicContact CG2-CG1 4.08Å; V217-I236 HydrophobicContact CB-CD1 4.42Å; V217-I236 HydrophobicContact CG2-CD1 4Å; V217-F284 HydrophobicContact CG1-CE1 4.45Å; V217-F284 HydrophobicContact CG1-CZ 4.21Å; V217-F284 HydrophobicContact CG2-CE1 3.84Å; V217-F284 HydrophobicContact CG2-CZ 4.38Å
218	R	91.4	Very high	84.2	Confident	63 Å²	63	50.7 Å²	50.7	24%	0.238	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	135.6	-178.5	-61	-179.1	176.9	105.6	2.7	110.5	D162 S208 T216 L220 E227 N230	D162-R218 IonicContact OD2-CZ 3.31Å; D162-R218 IonicContact OD2-NH1 3.67Å; D162-R218 PolarHBondContact OD2-NH1 2.87Å; D162-R218 IonicContact OD2-NH2 2.73Å; D162-R218 PolarHBondContact OD2-NH2 2.91Å; S208-R218 PolarHBondContact N-O 2.74Å; S208-R218 PolarHBondContact O-N 2.73Å; T216-R218 PolarHBondContact O-N 3.27Å; R218-L220 HydrophobicContact CB-CD2 3.95Å; R218-L220 HydrophobicContact CB-CG 4.45Å; R218-E227 HydrophobicContact CB-CG 4.49Å; R218-E227 WeakPolarHBondContact CD-OE2 3.09Å; R218-E227 VanDerWaalsContact CG-OE2 3.28Å; R218-E227 WeakPolarHBondContact CG-OE2 3.41Å; R218-E227 IonicContact NE-OE2 3.95Å; R218-E227 PolarHBondContact NE-OE2 3.45Å; R218-N230 HydrophobicContact CG-CB 4.4Å
219	L	91.6	Very high	83.9	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.2	173.6	-160.1	70	0	0	0	108.1	V205 L207 I228 A229 Y231 F269	V205-L219 HydrophobicContact CB-CD1 3.82Å; V205-L219 HydrophobicContact CB-CD2 4.46Å; V205-L219 HydrophobicContact CB-CG 3.98Å; V205-L219 HydrophobicContact CG1-CD1 4.34Å; V205-L219 HydrophobicContact CG1-CD2 4.08Å; V205-L219 HydrophobicContact CG1-CG 4.03Å; V205-L219 HydrophobicContact CG2-CD1 3.81Å; V205-L219 HydrophobicContact CG2-CG 4.4Å; L207-L219 HydrophobicContact CB-CD1 4.41Å; L207-L219 HydrophobicContact CD1-CD1 3.65Å; L219-I228 WeakPolarHBondContact O-CB 3.46Å; L219-I228 PolarHBondContact O-N 2.9Å; L219-A229 HydrophobicContact CB-CB 4.31Å; L219-A229 WeakPolarHBondContact CB-O 3.48Å; L219-A229 PolarHBondContact N-O 3.05Å; L219-A229 PolarHBondContact O-N 2.65Å; L219-Y231 HydrophobicContact CB-CE2 4.39Å; L219-F269 HydrophobicContact CD1-CE1 3.69Å; L219-F269 HydrophobicContact CD1-CZ 4.39Å; L219-F269 HydrophobicContact CD2-CE1 4.09Å
220	L	89.9	Confident	83.9	Confident	25 Å²	25	55.1 Å²	55.1	13%	0.131	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.4	-169.4	-50.9	179.8	0	0	0	111.6	T206 R218 T226 E227	T206-L220 PolarHBondContact N-O 2.65Å; T206-L220 PolarHBondContact O-N 2.96Å; R218-L220 HydrophobicContact CB-CD2 3.95Å; R218-L220 HydrophobicContact CB-CG 4.45Å; L220-T226 CarbonylContact C-O 3.59Å; L220-T226 VanDerWaalsContact CA-O 3.27Å; L220-T226 WeakPolarHBondContact CA-O 3.43Å; L220-E227 HydrophobicContact CD2-CB 4.12Å; L220-E227 HydrophobicContact CD2-CG 4.3Å
221	D	87.1	Confident	84.1	Confident	40 Å²	40	55.9 Å²	55.9	21%	0.214	30%	0.301	C	S	.	.			trans	-70.2	122.8	168.8	171.3	-6.7	0	0	0	109.8	H223 N224 N225 T226 I228	D221-H223 PolarHBondContact O-N 2.77Å; D221-H223 WeakPolarHBondContact OD1-CB 3.36Å; D221-H223 IonicContact OD1-CG 3.15Å; D221-H223 PolarHBondContact OD1-N 3.05Å; D221-H223 IonicContact OD1-ND1 3.89Å; D221-H223 PolarHBondContact OD1-ND1 2.61Å; D221-N224 WeakPolarHBondContact CB-OD1 3.37Å; D221-N224 PolarHBondContact O-N 3.06Å; D221-N224 PolarHBondContact OD2-ND2 2.75Å; D221-N224 PolarHBondContact OD2-OD1 2.77Å; D221-N225 WeakPolarHBondContact O-CA 3.27Å; D221-N225 PolarHBondContact O-N 2.8Å; D221-T226 PolarHBondContact N-O 2.84Å; D221-I228 HydrophobicContact CB-CD1 4.08Å; D221-I228 HydrophobicContact CB-CG1 4.25Å
222	P	85.1	Confident	84.6	Confident	52 Å²	52	55.4 Å²	55.4	34%	0.338	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-18.5	-178	-24.9	34.1	0	0	0	116.1	D204	D204-P222 WeakPolarHBondContact O-CD 2.94Å
223	H	81.9	Confident	85	Confident	170 Å²	170	53.7 Å²	53.7	79%	0.787	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-27.5	-172.9	-53.9	87.4	0	0	0	113.9	D221	D221-H223 PolarHBondContact O-N 2.77Å; D221-H223 WeakPolarHBondContact OD1-CB 3.36Å; D221-H223 IonicContact OD1-CG 3.15Å; D221-H223 PolarHBondContact OD1-N 3.05Å; D221-H223 IonicContact OD1-ND1 3.89Å; D221-H223 PolarHBondContact OD1-ND1 2.61Å
224	N	82.3	Confident	85.2	Confident	85 Å²	85	57.6 Å²	57.6	46%	0.455	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	-4.1	-171.8	58.6	39	0	0	0	113.6	D221 T226	D221-N224 WeakPolarHBondContact CB-OD1 3.37Å; D221-N224 PolarHBondContact O-N 3.06Å; D221-N224 PolarHBondContact OD2-ND2 2.75Å; D221-N224 PolarHBondContact OD2-OD1 2.77Å; N224-T226 HydrophobicContact CB-CG2 4.36Å; N224-T226 PolarHBondContact O-N 2.92Å; N224-T226 VanDerWaalsContact OD1-CB 3.31Å; N224-T226 WeakPolarHBondContact OD1-CB 3.48Å; N224-T226 WeakPolarHBondContact OD1-CG2 3.35Å; N224-T226 PolarHBondContact OD1-N 2.84Å; N224-T226 PolarHBondContact OD1-OG1 2.83Å
225	N	77.6	Confident	85.7	Confident	111 Å²	111	55.1 Å²	55.1	59%	0.594	28%	0.283	S	S	*	.			trans	55.3	22.8	-175.3	-64.5	-48.4	0	0	0	114.7	D221	D221-N225 WeakPolarHBondContact O-CA 3.27Å; D221-N225 PolarHBondContact O-N 2.8Å
226	T	83.5	Confident	86	Confident	79 Å²	79	55 Å²	55	49%	0.485	28%	0.28	S	S	.	.			trans	-71	145.5	170.4	60.4	0	0	0	0	110.4	L220 D221 N224 I228	L220-T226 CarbonylContact C-O 3.59Å; L220-T226 VanDerWaalsContact CA-O 3.27Å; L220-T226 WeakPolarHBondContact CA-O 3.43Å; D221-T226 PolarHBondContact N-O 2.84Å; N224-T226 HydrophobicContact CB-CG2 4.36Å; N224-T226 PolarHBondContact O-N 2.92Å; N224-T226 VanDerWaalsContact OD1-CB 3.31Å; N224-T226 WeakPolarHBondContact OD1-CB 3.48Å; N224-T226 WeakPolarHBondContact OD1-CG2 3.35Å; N224-T226 PolarHBondContact OD1-N 2.84Å; N224-T226 PolarHBondContact OD1-OG1 2.83Å; T226-I228 PolarHBondContact O-N 2.78Å
227	E	86	Confident	86	Confident	91 Å²	91	55.7 Å²	55.7	43%	0.425	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	117.3	-179.2	-166.6	-179.5	97.1	0	0	110.4	R218 L220 N230	R218-E227 HydrophobicContact CB-CG 4.49Å; R218-E227 WeakPolarHBondContact CD-OE2 3.09Å; R218-E227 VanDerWaalsContact CG-OE2 3.28Å; R218-E227 WeakPolarHBondContact CG-OE2 3.41Å; R218-E227 IonicContact NE-OE2 3.95Å; R218-E227 PolarHBondContact NE-OE2 3.45Å; L220-E227 HydrophobicContact CD2-CB 4.12Å; L220-E227 HydrophobicContact CD2-CG 4.3Å; E227-N230 HydrophobicContact CG-CB 4.42Å; E227-N230 WeakPolarHBondContact OE1-CB 3.45Å; E227-N230 PolarHBondContact OE1-ND2 2.85Å
228	I	87.1	Confident	85.9	Confident	77 Å²	77	58.5 Å²	58.5	40%	0.395	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-42.1	175.6	-58	170	0	0	0	109.9	L203 V205 L219 D221 T226	L203-I228 HydrophobicContact CD2-CG2 4.47Å; V205-I228 HydrophobicContact CG1-CD1 3.9Å; L219-I228 WeakPolarHBondContact O-CB 3.46Å; L219-I228 PolarHBondContact O-N 2.9Å; D221-I228 HydrophobicContact CB-CD1 4.08Å; D221-I228 HydrophobicContact CB-CG1 4.25Å; T226-I228 PolarHBondContact O-N 2.78Å
229	A	85.7	Confident	86	Confident	25 Å²	25	57 Å²	57	21%	0.207	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	157.2	179.6	0	0	0	0	0	110.2	L219 Y231	L219-A229 HydrophobicContact CB-CB 4.31Å; L219-A229 WeakPolarHBondContact CB-O 3.48Å; L219-A229 PolarHBondContact N-O 3.05Å; L219-A229 PolarHBondContact O-N 2.65Å; A229-Y231 HydrophobicContact CB-CE2 3.86Å
230	N	90.3	Very high	86	Confident	75 Å²	75	57.1 Å²	57.1	40%	0.401	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.6	172.3	73.3	72.6	0	0	0	111.6	T216 V217 R218 E227	T216-N230 HydrophobicContact CG2-CB 3.66Å; V217-N230 CarbonylContact O-C 3.56Å; V217-N230 WeakPolarHBondContact O-CA 3.41Å; R218-N230 HydrophobicContact CG-CB 4.4Å; E227-N230 HydrophobicContact CG-CB 4.42Å; E227-N230 WeakPolarHBondContact OE1-CB 3.45Å; E227-N230 PolarHBondContact OE1-ND2 2.85Å
231	Y	89.8	Confident	86.2	Confident	19 Å²	19	60.2 Å²	60.2	8%	0.075	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	98.5	-171.8	-54.6	-75.6	0	0	0	108.5	V217 L219 A229 I233 F254 E256 H267	V217-Y231 WeakPolarHBondContact CB-O 3.48Å; V217-Y231 PolarHBondContact N-O 2.76Å; V217-Y231 PolarHBondContact O-N 3.43Å; L219-Y231 HydrophobicContact CB-CE2 4.39Å; A229-Y231 HydrophobicContact CB-CE2 3.86Å; Y231-I233 PolarHBondContact O-N 2.8Å; Y231-F254 HydrophobicContact CD1-CE2 4.16Å; Y231-F254 HydrophobicContact CD1-CZ 4.35Å; Y231-F254 HydrophobicContact CD2-CE2 4.33Å; Y231-F254 AromaticContact CD2-CZ 3.74Å; Y231-F254 HydrophobicContact CD2-CZ 3.74Å; Y231-F254 HydrophobicContact CE2-CZ 4.06Å; Y231-F254 HydrophobicContact CG-CE2 4.02Å; Y231-F254 AromaticContact CG-CZ 3.89Å; Y231-F254 HydrophobicContact CG-CZ 3.89Å; Y231-E256 WeakPolarHBondContact CD1-OE2 3.32Å; Y231-H267 AromaticContact CE1-CE1 3.83Å; Y231-H267 AromaticContact CZ-ND1 3.93Å; Y231-H267 PolarHBondContact OH-ND1 3.14Å
232	P	87.3	Confident	86.2	Confident	15 Å²	15	58.4 Å²	58.4	10%	0.097	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	134.7	178	-24.2	33.2	0	0	0	111.4	T216 Y234 K235	T216-P232 HydrophobicContact CG2-CG 4.22Å; P232-Y234 HydrophobicContact CB-CD1 3.59Å; P232-Y234 HydrophobicContact CB-CE1 3.25Å; P232-Y234 HydrophobicContact CB-CG 4.43Å; P232-Y234 HydrophobicContact CG-CE1 4.09Å; P232-Y234 PolarHBondContact O-N 2.92Å; P232-K235 HydrophobicContact CB-CG 4.35Å; P232-K235 HydrophobicContact CG-CD 4.3Å; P232-K235 PolarHBondContact O-N 3.06Å
233	I	83.3	Confident	86.3	Confident	6 Å²	6	60.3 Å²	60.3	3%	0.031	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-54.2	-34.3	-175.1	-76.2	-71.5	0	0	0	112.1	P210 S213 G215 V217 Y231 K235 I236 F284 A287 F288	P210-I233 HydrophobicContact CG-CD1 4.26Å; P210-I233 HydrophobicContact CG-CG1 3.75Å; S213-I233 WeakPolarHBondContact O-CG2 3.29Å; G215-I233 WeakPolarHBondContact O-CB 3.19Å; G215-I233 VanDerWaalsContact O-CG1 3.27Å; G215-I233 WeakPolarHBondContact O-CG1 3.45Å; G215-I233 PolarHBondContact O-N 2.81Å; V217-I233 HydrophobicContact CG2-CD1 3.43Å; V217-I233 VanDerWaalsContact CG2-CD1 3.43Å; V217-I233 HydrophobicContact CG2-CG1 4.08Å; Y231-I233 PolarHBondContact O-N 2.8Å; I233-K235 VanDerWaalsContact C-N 3.3Å; I233-K235 PolarHBondContact O-N 2.81Å; I233-I236 PolarHBondContact O-N 2.87Å; I233-F284 HydrophobicContact CD1-CD1 4.46Å; I233-A287 HydrophobicContact CD1-CB 3.56Å; I233-A287 HydrophobicContact CG1-CB 4.09Å; I233-F288 HydrophobicContact CD1-CE1 4.38Å; I233-F288 HydrophobicContact CG2-CD1 3.78Å; I233-F288 HydrophobicContact CG2-CE1 3.88Å
234	Y	78.4	Confident	86.2	Confident	102 Å²	102	56.7 Å²	56.7	40%	0.4	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-69.6	-18	178.6	72.5	-95.3	0	0	0	115.1	P232	P232-Y234 HydrophobicContact CB-CD1 3.59Å; P232-Y234 HydrophobicContact CB-CE1 3.25Å; P232-Y234 HydrophobicContact CB-CG 4.43Å; P232-Y234 HydrophobicContact CG-CE1 4.09Å; P232-Y234 PolarHBondContact O-N 2.92Å
235	K	83.8	Confident	86	Confident	73 Å²	73	56.1 Å²	56.1	32%	0.317	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-87.1	-16.7	174.3	-64.3	-168.5	-176	176.6	0	113.2	P232 I233 E256 S257	P232-K235 HydrophobicContact CB-CG 4.35Å; P232-K235 HydrophobicContact CG-CD 4.3Å; P232-K235 PolarHBondContact O-N 3.06Å; I233-K235 VanDerWaalsContact C-N 3.3Å; I233-K235 PolarHBondContact O-N 2.81Å; K235-E256 HydrophobicContact CB-CG 3.75Å; K235-E256 WeakPolarHBondContact CD-OE1 3.37Å; K235-E256 WeakPolarHBondContact O-CA 3.22Å; K235-S257 PolarHBondContact O-N 2.6Å
236	I	87.8	Confident	86.4	Confident	10 Å²	10	53.1 Å²	53.1	5%	0.051	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.6	-177.7	-54.3	180	0	0	0	109.2	V217 I233 F254 T255 F284 F288	V217-I236 HydrophobicContact CB-CD1 4.42Å; V217-I236 HydrophobicContact CG2-CD1 4Å; I233-I236 PolarHBondContact O-N 2.87Å; I236-F254 HydrophobicContact CD1-CD2 4.14Å; I236-F254 HydrophobicContact CD1-CE2 4.12Å; I236-F254 HydrophobicContact CD1-CZ 4.49Å; I236-F254 HydrophobicContact CG1-CD2 4.2Å; I236-F254 HydrophobicContact CG1-CE2 4.35Å; I236-F254 HydrophobicContact CG2-CB 3.77Å; I236-F254 HydrophobicContact CG2-CD2 3.87Å; I236-F254 HydrophobicContact CG2-CG 4.04Å; I236-T255 CarbonylContact C-O 3.59Å; I236-T255 VanDerWaalsContact CA-O 3.32Å; I236-T255 WeakPolarHBondContact CA-O 3.26Å; I236-F284 HydrophobicContact CD1-CE1 3.85Å; I236-F288 HydrophobicContact CB-CE1 4.24Å; I236-F288 HydrophobicContact CB-CZ 4.04Å; I236-F288 HydrophobicContact CG2-CE1 4.48Å; I236-F288 HydrophobicContact CG2-CZ 3.81Å
237	L	85.4	Confident	86.3	Confident	49 Å²	49	53.2 Å²	53.2	26%	0.257	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-30.2	-166.3	-61.3	174.8	0	0	0	114.1	P182 T255 F264	P182-L237 HydrophobicContact CB-CD1 4.01Å; P182-L237 HydrophobicContact CG-CD1 4.35Å; L237-T255 PolarHBondContact N-O 3.09Å; L237-F264 HydrophobicContact CD1-CD1 3.38Å; L237-F264 HydrophobicContact CD1-CE1 3.56Å; L237-F264 HydrophobicContact CD1-CG 4.45Å
238	F	90	Very high	86.3	Confident	59 Å²	59	50 Å²	50	26%	0.259	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	147.7	-176.7	-169.8	-114.9	0	0	0	110	P182 R183 E185 V240 F254 T255	P182-F238 WeakPolarHBondContact O-CB 3.48Å; R183-F238 HydrophobicContact CG-CB 4.36Å; E185-F238 HydrophobicContact CB-CE1 4.19Å; E185-F238 HydrophobicContact CB-CZ 4.12Å; F238-V240 HydrophobicContact CE1-CB 4.08Å; F238-F254 CarbonylContact O-C 3.55Å; F238-F254 WeakPolarHBondContact O-CA 3.17Å; F238-F254 WeakPolarHBondContact O-CB 3.32Å; F238-T255 WeakPolarHBondContact CB-OG1 3.07Å; F238-T255 PolarHBondContact N-OG1 3.33Å; F238-T255 PolarHBondContact O-N 2.62Å
239	C	92.2	Very high	86.3	Confident	31 Å²	31	47.2 Å²	47.2	21%	0.209	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.3	176.4	-67	0	0	0	0	109.8	A253 F254 L281	C239-A253 CarbonylContact C-O 2.94Å; C239-A253 WeakPolarHBondContact CA-O 3.44Å; C239-F254 HydrophobicContact CB-CB 4.42Å; C239-F254 WeakPolarHBondContact SG-CB 3.28Å; C239-L281 HydrophobicContact CB-CD2 3.78Å
240	V	92.4	Very high	86.5	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.03	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152.5	-173.6	64.6	0	0	0	0	111.2	E185 A188 L189 M192 F238 F252 A253	E185-V240 HydrophobicContact CG-CG2 4Å; A188-V240 HydrophobicContact CB-CB 4.44Å; A188-V240 HydrophobicContact CB-CG1 3.72Å; L189-V240 HydrophobicContact CD2-CG2 4.23Å; L189-V240 HydrophobicContact CG-CG2 4.29Å; M192-V240 HydrophobicContact CE-CG1 3.85Å; F238-V240 HydrophobicContact CE1-CB 4.08Å; V240-F252 CarbonylContact O-C 3.6Å; V240-F252 VanDerWaalsContact O-CA 3.28Å; V240-F252 WeakPolarHBondContact O-CA 3.33Å; V240-F252 WeakPolarHBondContact O-CB 3.39Å; V240-A253 HydrophobicContact CG1-CB 3.87Å; V240-A253 PolarHBondContact N-O 3.38Å; V240-A253 PolarHBondContact O-N 2.87Å
241	R	92.9	Very high	86.6	Confident	90 Å²	90	43.6 Å²	43.6	34%	0.34	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	151.4	167.8	57.9	-176.7	-158.5	118.1	12.3	110.4	D244 V277 L281	R241-D244 IonicContact CZ-OD2 3.6Å; R241-D244 IonicContact NH1-OD1 2.86Å; R241-D244 IonicContact NH1-OD2 3.15Å; R241-D244 PolarHBondContact NH1-OD2 2.95Å; R241-D244 IonicContact NH2-OD2 3.6Å; R241-D244 PolarHBondContact NH2-OD2 3.42Å; R241-V277 HydrophobicContact CB-CG1 3.55Å; R241-L281 HydrophobicContact CB-CD1 3.62Å; R241-L281 HydrophobicContact CG-CD1 4.04Å
242	G	88.4	Confident	86.8	Confident	2 Å²	2	42.7 Å²	42.7	2%	0.021	23%	0.232	C	C	.	.			trans	-62.6	154.3	166.4	0	0	0	0	0	112.2	E248 C251	G242-E248 WeakPolarHBondContact CA-O 3.47Å; G242-C251 PolarHBondContact N-O 3.27Å
243	H	86.9	Confident	87.2	Confident	93 Å²	93	42 Å²	42	43%	0.431	23%	0.228	S	C	.	.			trans	-77.6	139	-174.9	-76.7	173.7	0	0	0	112.8	G245 T246 S249	H243-G245 PolarHBondContact O-N 3.44Å; H243-G245 VanDerWaalsContact O-N 3.08Å; H243-T246 HydrophobicContact CB-CG2 3.72Å; H243-T246 PolarHBondContact O-N 3.16Å; H243-T246 PolarHBondContact O-OG1 2.96Å; H243-S249 WeakPolarHBondContact O-CB 3.42Å
244	D	80.3	Confident	87.7	Confident	94 Å²	94	41.7 Å²	41.7	50%	0.503	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	113.1	179.5	-74.7	-63	0	0	0	111.7	R241 R274	R241-D244 IonicContact CZ-OD2 3.6Å; R241-D244 IonicContact NH1-OD1 2.86Å; R241-D244 IonicContact NH1-OD2 3.15Å; R241-D244 PolarHBondContact NH1-OD2 2.95Å; R241-D244 IonicContact NH2-OD2 3.6Å; R241-D244 PolarHBondContact NH2-OD2 3.42Å; D244-R274 IonicContact OD1-CZ 3.34Å; D244-R274 IonicContact OD1-NE 2.7Å; D244-R274 IonicContact OD1-NH2 3.63Å; D244-R274 PolarHBondContact OD1-NH2 3.09Å
245	G	77	Confident	88.4	Confident	72 Å²	72	37 Å²	37	74%	0.742	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	105.7	-8.7	-177.6	0	0	0	0	0	114.9	H243	H243-G245 PolarHBondContact O-N 3.44Å; H243-G245 VanDerWaalsContact O-N 3.08Å
246	T	85.4	Confident	88.6	Confident	48 Å²	48	34.1 Å²	34.1	29%	0.294	20%	0.196	S	C	.	.	S	Bend	trans	-90.8	160.9	169.9	83.8	0	0	0	0	110.4	H243 E248 S249	H243-T246 HydrophobicContact CB-CG2 3.72Å; H243-T246 PolarHBondContact O-N 3.16Å; H243-T246 PolarHBondContact O-OG1 2.96Å; T246-E248 WeakPolarHBondContact CB-OE2 3.27Å; T246-E248 PolarHBondContact O-N 2.78Å; T246-E248 PolarHBondContact OG1-N 3.25Å; T246-E248 PolarHBondContact OG1-OE2 2.82Å; T246-S249 VanDerWaalsContact O-CB 3.26Å; T246-S249 WeakPolarHBondContact O-CB 2.97Å; T246-S249 PolarHBondContact O-N 3.21Å; T246-S249 PolarHBondContact O-OG 2.8Å
247	P	81.9	Confident	88.4	Confident	82 Å²	82	35.3 Å²	35.3	53%	0.532	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-60.3	-25.4	176.6	21.9	-31.3	0	0	0	113	R196 S249	R196-P247 PolarHBondContact NE-O 2.72Å; R196-P247 VanDerWaalsContact NE-O 3.17Å; R196-P247 PolarHBondContact NH2-O 3.24Å; P247-S249 PolarHBondContact O-N 3.02Å
248	E	86.7	Confident	87.3	Confident	23 Å²	23	35 Å²	35	11%	0.107	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-73.3	-3.3	175.2	-56.1	73.4	-159.5	0	0	113.9	M192 S193 G242 T246 D250 C251	M192-E248 HydrophobicContact CG-CB 4.17Å; M192-E248 HydrophobicContact CG-CG 4.13Å; M192-E248 HydrophobicContact SD-CB 3.87Å; M192-E248 HydrophobicContact SD-CG 4.43Å; S193-E248 WeakPolarHBondContact CB-OE1 3.41Å; S193-E248 PolarHBondContact OG-OE1 3.08Å; G242-E248 WeakPolarHBondContact CA-O 3.47Å; T246-E248 WeakPolarHBondContact CB-OE2 3.27Å; T246-E248 PolarHBondContact O-N 2.78Å; T246-E248 PolarHBondContact OG1-N 3.25Å; T246-E248 PolarHBondContact OG1-OE2 2.82Å; E248-D250 PolarHBondContact O-N 2.89Å; E248-C251 WeakPolarHBondContact O-CB 3.37Å; E248-C251 PolarHBondContact O-N 3.39Å
249	S	87.4	Confident	85.5	Confident	19 Å²	19	39.4 Å²	39.4	13%	0.133	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-60.7	-10.7	-178.5	57	0	0	0	0	115.4	H243 T246 P247 R274	H243-S249 WeakPolarHBondContact O-CB 3.42Å; T246-S249 VanDerWaalsContact O-CB 3.26Å; T246-S249 WeakPolarHBondContact O-CB 2.97Å; T246-S249 PolarHBondContact O-N 3.21Å; T246-S249 PolarHBondContact O-OG 2.8Å; P247-S249 PolarHBondContact O-N 3.02Å; S249-R274 WeakPolarHBondContact O-CG 3.5Å
250	D	89.6	Confident	83.3	Confident	23 Å²	23	43.9 Å²	43.9	12%	0.123	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-95.7	5.6	170.2	64.7	-3.9	0	0	0	114.3	R196 E248 R270 C271	R196-D250 IonicContact CZ-OD1 2.87Å; R196-D250 IonicContact NE-OD1 3.16Å; R196-D250 PolarHBondContact NE-OD1 2.86Å; R196-D250 VanDerWaalsContact NE-OD1 3.08Å; R196-D250 VanDerWaalsContact NH2-CG 3.29Å; R196-D250 IonicContact NH2-OD1 2.67Å; R196-D250 PolarHBondContact NH2-OD1 2.7Å; R196-D250 IonicContact NH2-OD2 2.79Å; R196-D250 PolarHBondContact NH2-OD2 2.67Å; E248-D250 PolarHBondContact O-N 2.89Å; D250-R270 IonicContact OD1-NE 2.63Å; D250-R270 IonicContact OD2-CZ 2.65Å; D250-R270 IonicContact OD2-NE 3.19Å; D250-R270 PolarHBondContact OD2-NE 2.87Å; D250-R270 IonicContact OD2-NH2 3.07Å; D250-R270 PolarHBondContact OD2-NH2 3.18Å; D250-C271 PolarHBondContact O-N 3.27Å
251	C	92.3	Very high	81.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	153.7	-176.3	-66.2	0	0	0	0	114.3	M192 G242 E248 F269	M192-C251 HydrophobicContact CE-CB 4.42Å; M192-C251 HydrophobicContact CG-CB 3.81Å; M192-C251 HydrophobicContact SD-CB 3.55Å; M192-C251 VanDerWaalsContact SD-CB 3.55Å; G242-C251 PolarHBondContact N-O 3.27Å; E248-C251 WeakPolarHBondContact O-CB 3.37Å; E248-C251 PolarHBondContact O-N 3.39Å; C251-F269 CarbonylContact C-O 3.46Å; C251-F269 VanDerWaalsContact CA-O 3.22Å; C251-F269 WeakPolarHBondContact CA-O 3.27Å; C251-F269 WeakPolarHBondContact CB-O 3.11Å
252	F	94.5	Very high	79.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	162.8	163	74.6	-85.9	0	0	0	110.2	L171 L207 V240 F254 F269 V277 I280 F284	L171-F252 HydrophobicContact CD1-CE1 4.3Å; L171-F252 HydrophobicContact CD1-CZ 4.36Å; L171-F252 HydrophobicContact CD2-CE1 4.4Å; L207-F252 HydrophobicContact CD2-CE2 4.37Å; L207-F252 HydrophobicContact CD2-CZ 4Å; V240-F252 CarbonylContact O-C 3.6Å; V240-F252 VanDerWaalsContact O-CA 3.28Å; V240-F252 WeakPolarHBondContact O-CA 3.33Å; V240-F252 WeakPolarHBondContact O-CB 3.39Å; F252-F254 HydrophobicContact CE2-CD1 4.43Å; F252-F269 HydrophobicContact CD1-CB 3.97Å; F252-F269 HydrophobicContact CD2-CB 4.47Å; F252-F269 HydrophobicContact CD2-CD2 4.24Å; F252-F269 HydrophobicContact CE1-CB 3.43Å; F252-F269 VanDerWaalsContact CE1-CB 3.43Å; F252-F269 HydrophobicContact CE1-CG 4.15Å; F252-F269 HydrophobicContact CE2-CB 3.99Å; F252-F269 AromaticContact CE2-CD2 3.57Å; F252-F269 HydrophobicContact CE2-CD2 3.57Å; F252-F269 HydrophobicContact CE2-CE2 4.32Å; F252-F269 AromaticContact CE2-CG 3.95Å; F252-F269 HydrophobicContact CE2-CG 3.95Å; F252-F269 HydrophobicContact CG-CB 4.46Å; F252-F269 HydrophobicContact CZ-CB 3.42Å; F252-F269 VanDerWaalsContact CZ-CB 3.42Å; F252-F269 HydrophobicContact CZ-CD1 4.39Å; F252-F269 AromaticContact CZ-CD2 3.74Å; F252-F269 HydrophobicContact CZ-CD2 3.74Å; F252-F269 AromaticContact CZ-CG 3.6Å; F252-F269 HydrophobicContact CZ-CG 3.6Å; F252-F269 PolarHBondContact N-O 2.8Å; F252-F269 PolarHBondContact O-N 3.09Å; F252-F269 VanDerWaalsContact O-O 3.04Å; F252-V277 HydrophobicContact CB-CG1 4.2Å; F252-I280 HydrophobicContact CD1-CD1 4.25Å; F252-I280 HydrophobicContact CD1-CG2 4.33Å; F252-I280 HydrophobicContact CD2-CG2 4.22Å; F252-I280 HydrophobicContact CE1-CD1 3.73Å; F252-I280 HydrophobicContact CE1-CG2 3.98Å; F252-I280 HydrophobicContact CE2-CG2 3.88Å; F252-I280 HydrophobicContact CG-CG2 4.45Å; F252-I280 HydrophobicContact CZ-CD1 4.37Å; F252-I280 HydrophobicContact CZ-CG2 3.76Å; F252-F284 HydrophobicContact CE2-CE2 4.12Å
253	A	94.3	Very high	79.2	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	157.6	174.7	0	0	0	0	0	111.4	M192 C239 V240 I266 H267 V268	M192-A253 HydrophobicContact CE-CB 3.67Å; C239-A253 CarbonylContact C-O 2.94Å; C239-A253 WeakPolarHBondContact CA-O 3.44Å; V240-A253 HydrophobicContact CG1-CB 3.87Å; V240-A253 PolarHBondContact N-O 3.38Å; V240-A253 PolarHBondContact O-N 2.87Å; A253-I266 HydrophobicContact CB-CD1 3.83Å; A253-I266 HydrophobicContact CB-CG1 3.9Å; A253-H267 WeakPolarHBondContact CA-O 3.42Å; A253-H267 WeakPolarHBondContact CB-O 3.37Å; A253-V268 HydrophobicContact CB-CB 4.36Å; A253-V268 HydrophobicContact CB-CG1 4.44Å; A253-V268 HydrophobicContact CB-CG2 3.91Å
254	F	94.6	Very high	79.3	Confident	1 Å²	1	53.2 Å²	53.2	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	154.2	169.7	66.1	-106.4	0	0	0	111.7	Y231 I236 F238 C239 F252 I266 H267 F269 F284	Y231-F254 HydrophobicContact CD1-CE2 4.16Å; Y231-F254 HydrophobicContact CD1-CZ 4.35Å; Y231-F254 HydrophobicContact CD2-CE2 4.33Å; Y231-F254 AromaticContact CD2-CZ 3.74Å; Y231-F254 HydrophobicContact CD2-CZ 3.74Å; Y231-F254 HydrophobicContact CE2-CZ 4.06Å; Y231-F254 HydrophobicContact CG-CE2 4.02Å; Y231-F254 AromaticContact CG-CZ 3.89Å; Y231-F254 HydrophobicContact CG-CZ 3.89Å; I236-F254 HydrophobicContact CD1-CD2 4.14Å; I236-F254 HydrophobicContact CD1-CE2 4.12Å; I236-F254 HydrophobicContact CD1-CZ 4.49Å; I236-F254 HydrophobicContact CG1-CD2 4.2Å; I236-F254 HydrophobicContact CG1-CE2 4.35Å; I236-F254 HydrophobicContact CG2-CB 3.77Å; I236-F254 HydrophobicContact CG2-CD2 3.87Å; I236-F254 HydrophobicContact CG2-CG 4.04Å; F238-F254 CarbonylContact O-C 3.55Å; F238-F254 WeakPolarHBondContact O-CA 3.17Å; F238-F254 WeakPolarHBondContact O-CB 3.32Å; C239-F254 HydrophobicContact CB-CB 4.42Å; C239-F254 WeakPolarHBondContact SG-CB 3.28Å; F252-F254 HydrophobicContact CE2-CD1 4.43Å; F254-I266 CarbonylContact O-C 3.57Å; F254-I266 WeakPolarHBondContact O-CA 3.27Å; F254-H267 HydrophobicContact CD2-CB 4.29Å; F254-H267 HydrophobicContact CE1-CB 4.48Å; F254-H267 HydrophobicContact CE2-CB 3.95Å; F254-H267 HydrophobicContact CZ-CB 4.05Å; F254-H267 PolarHBondContact N-O 2.8Å; F254-H267 PolarHBondContact O-N 3.42Å; F254-F269 HydrophobicContact CD1-CD2 4.47Å; F254-F269 AromaticContact CD1-CE2 3.85Å; F254-F269 HydrophobicContact CD1-CE2 3.85Å; F254-F269 HydrophobicContact CE1-CD2 4.28Å; F254-F269 AromaticContact CE1-CE2 3.33Å; F254-F269 HydrophobicContact CE1-CE2 3.33Å; F254-F269 AromaticContact CE1-CZ 3.81Å; F254-F269 HydrophobicContact CE1-CZ 3.81Å; F254-F269 AromaticContact CZ-CE2 3.95Å; F254-F269 HydrophobicContact CZ-CE2 3.95Å; F254-F269 HydrophobicContact CZ-CZ 4.14Å; F254-F284 HydrophobicContact CD1-CE1 4.31Å; F254-F284 AromaticContact CD1-CZ 3.77Å; F254-F284 HydrophobicContact CD1-CZ 3.77Å; F254-F284 HydrophobicContact CE1-CZ 4.01Å
255	T	91.8	Very high	79.7	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140	176.6	55.4	0	0	0	0	111.8	V179 P182 I236 L237 F238 R265 I266	V179-T255 HydrophobicContact CG2-CG2 4.14Å; P182-T255 WeakPolarHBondContact O-CB 3.4Å; P182-T255 WeakPolarHBondContact O-CG2 3.17Å; P182-T255 PolarHBondContact O-OG1 2.97Å; I236-T255 CarbonylContact C-O 3.59Å; I236-T255 VanDerWaalsContact CA-O 3.32Å; I236-T255 WeakPolarHBondContact CA-O 3.26Å; L237-T255 PolarHBondContact N-O 3.09Å; F238-T255 WeakPolarHBondContact CB-OG1 3.07Å; F238-T255 PolarHBondContact N-OG1 3.33Å; F238-T255 PolarHBondContact O-N 2.62Å; T255-R265 CarbonylContact C-O 3.54Å; T255-R265 WeakPolarHBondContact CA-O 3.45Å; T255-I266 HydrophobicContact CG2-CB 3.95Å; T255-I266 HydrophobicContact CG2-CD1 4.28Å; T255-I266 HydrophobicContact CG2-CG1 3.93Å
256	E	89.8	Confident	80.5	Confident	13 Å²	13	49.2 Å²	49.2	6%	0.061	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147.1	178.8	-163.5	-163.3	-168.4	0	0	110.5	Y231 K235 F264 R265	Y231-E256 WeakPolarHBondContact CD1-OE2 3.32Å; K235-E256 HydrophobicContact CB-CG 3.75Å; K235-E256 WeakPolarHBondContact CD-OE1 3.37Å; K235-E256 WeakPolarHBondContact O-CA 3.22Å; E256-F264 CarbonylContact O-C 3.57Å; E256-F264 VanDerWaalsContact O-CA 3.3Å; E256-F264 WeakPolarHBondContact O-CA 3.5Å; E256-R265 PolarHBondContact N-O 2.85Å; E256-R265 PolarHBondContact O-N 2.85Å
257	S	82.4	Confident	80.9	Confident	34 Å²	34	47.2 Å²	47.2	24%	0.238	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.6	162.3	46.6	0	0	0	0	111.5	K235	K235-S257 PolarHBondContact O-N 2.6Å
258	H	63	Low	81.4	Confident	42 Å²	42	43.3 Å²	43.3	19%	0.194	22%	0.224	C	C	.	.			trans	-121.7	104.9	-169.8	174.5	-73.6	0	0	0	112.1	I263 R265	H258-I263 PolarHBondContact N-O 2.7Å; H258-R265 HydrophobicContact CB-CG 4.28Å; H258-R265 PolarHBondContact CD2-NH1 2.92Å; H258-R265 VanDerWaalsContact CE1-CZ 3.44Å; H258-R265 PolarHBondContact CE1-NH2 3.03Å; H258-R265 VanDerWaalsContact CE1-NH2 3.26Å; H258-R265 VanDerWaalsContact NE2-CZ 3.34Å; H258-R265 PolarHBondContact NE2-NH1 3.21Å
259	H	51.1	Low	81.8	Confident	153 Å²	153	42.2 Å²	42.2	71%	0.708	22%	0.218	S	C	*	.	S	Bend	trans	58.1	95.5	176.6	-65.7	76	0	0	0	113.7
260	N	47.5	Very low	81.9	Confident	125 Å²	125	46.4 Å²	46.4	67%	0.668	23%	0.231	S	C	*	.	S	Bend	trans	60.7	161.6	-166.4	-62.1	-12.1	0	0	0	113.2	E262	N260-E262 PolarHBondContact O-N 2.81Å; N260-E262 VanDerWaalsContact O-N 3.07Å
261	A	55.9	Low	82	Confident	76 Å²	76	45.4 Å²	45.4	63%	0.628	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	7.1	-162	0	0	0	0	0	115.6	F264	A261-F264 VanDerWaalsContact O-CZ 3.26Å; A261-F264 WeakPolarHBondContact O-CZ 3.39Å
262	E	57.1	Low	81.6	Confident	179 Å²	179	51 Å²	51	84%	0.836	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-16.4	-169.7	-60	-176.7	150.8	0	0	114	N260	N260-E262 PolarHBondContact O-N 2.81Å; N260-E262 VanDerWaalsContact O-N 3.07Å
263	I	74.6	Confident	81	Confident	84 Å²	84	54.9 Å²	54.9	43%	0.431	27%	0.272	S	S	.	.			trans	-116.9	118.6	-178.8	-59.7	175.1	0	0	0	109.9	H258	H258-I263 PolarHBondContact N-O 2.7Å
264	F	87.9	Confident	80.2	Confident	46 Å²	46	59.8 Å²	59.8	20%	0.202	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	141.9	173.8	-48.7	-76.4	0	0	0	111.1	S178 V179 P182 L237 E256 A261	S178-F264 CarbonylContact C-O 3.02Å; S178-F264 VanDerWaalsContact CA-O 3.31Å; S178-F264 WeakPolarHBondContact CA-O 3.37Å; V179-F264 HydrophobicContact CG2-CB 3.98Å; V179-F264 PolarHBondContact N-O 3.07Å; P182-F264 HydrophobicContact CB-CB 3.8Å; P182-F264 HydrophobicContact CB-CD1 3.93Å; P182-F264 HydrophobicContact CB-CD2 4.08Å; P182-F264 HydrophobicContact CB-CG 3.65Å; P182-F264 HydrophobicContact CG-CB 4.31Å; P182-F264 HydrophobicContact CG-CD1 3.91Å; P182-F264 HydrophobicContact CG-CD2 3.62Å; P182-F264 HydrophobicContact CG-CE1 4.11Å; P182-F264 HydrophobicContact CG-CE2 3.85Å; P182-F264 HydrophobicContact CG-CG 3.65Å; P182-F264 HydrophobicContact CG-CZ 4.09Å; L237-F264 HydrophobicContact CD1-CD1 3.38Å; L237-F264 HydrophobicContact CD1-CE1 3.56Å; L237-F264 HydrophobicContact CD1-CG 4.45Å; E256-F264 CarbonylContact O-C 3.57Å; E256-F264 VanDerWaalsContact O-CA 3.3Å; E256-F264 WeakPolarHBondContact O-CA 3.5Å; A261-F264 VanDerWaalsContact O-CZ 3.26Å; A261-F264 WeakPolarHBondContact O-CZ 3.39Å
265	R	89.6	Confident	79.4	Confident	82 Å²	82	66 Å²	66	31%	0.309	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.3	173.9	-69.4	-176	177.9	165.7	5.4	110.7	A177 T255 E256 H258	A177-R265 CarbonylContact O-C 3.59Å; A177-R265 VanDerWaalsContact O-CA 3.29Å; A177-R265 WeakPolarHBondContact O-CA 3.48Å; T255-R265 CarbonylContact C-O 3.54Å; T255-R265 WeakPolarHBondContact CA-O 3.45Å; E256-R265 PolarHBondContact N-O 2.85Å; E256-R265 PolarHBondContact O-N 2.85Å; H258-R265 HydrophobicContact CB-CG 4.28Å; H258-R265 PolarHBondContact CD2-NH1 2.92Å; H258-R265 VanDerWaalsContact CE1-CZ 3.44Å; H258-R265 PolarHBondContact CE1-NH2 3.03Å; H258-R265 VanDerWaalsContact CE1-NH2 3.26Å; H258-R265 VanDerWaalsContact NE2-CZ 3.34Å; H258-R265 PolarHBondContact NE2-NH1 3.21Å
266	I	92.9	Very high	78.9	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	136.4	165.3	-166.8	170	0	0	0	109.7	C176 A177 V179 A188 M191 A253 F254 T255 V268	C176-I266 CarbonylContact C-O 3.53Å; C176-I266 WeakPolarHBondContact CA-O 3.32Å; C176-I266 WeakPolarHBondContact CB-O 3.43Å; A177-I266 HydrophobicContact CB-CG2 4.28Å; A177-I266 PolarHBondContact N-O 2.65Å; A177-I266 VanDerWaalsContact N-O 3.14Å; A177-I266 PolarHBondContact O-N 2.74Å; V179-I266 HydrophobicContact CG1-CB 3.99Å; V179-I266 HydrophobicContact CG1-CG2 3.71Å; V179-I266 HydrophobicContact CG2-CB 4.44Å; A188-I266 HydrophobicContact CB-CD1 3.63Å; M191-I266 HydrophobicContact CB-CD1 4.09Å; M191-I266 HydrophobicContact CB-CG2 3.77Å; M191-I266 HydrophobicContact CG-CG2 3.89Å; A253-I266 HydrophobicContact CB-CD1 3.83Å; A253-I266 HydrophobicContact CB-CG1 3.9Å; F254-I266 CarbonylContact O-C 3.57Å; F254-I266 WeakPolarHBondContact O-CA 3.27Å; T255-I266 HydrophobicContact CG2-CB 3.95Å; T255-I266 HydrophobicContact CG2-CD1 4.28Å; T255-I266 HydrophobicContact CG2-CG1 3.93Å; I266-V268 HydrophobicContact CG1-CG2 4.28Å
267	H	93.2	Very high	78.8	Confident	6 Å²	6	66.4 Å²	66.4	3%	0.028	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.3	176.7	-68.1	-95.9	0	0	0	108.5	Y173 Y231 A253 F254 F269	Y173-H267 HydrophobicContact CE2-CB 4.14Å; Y173-H267 AromaticContact CZ-ND1 3.86Å; Y173-H267 PolarHBondContact OH-ND1 2.83Å; Y231-H267 AromaticContact CE1-CE1 3.83Å; Y231-H267 AromaticContact CZ-ND1 3.93Å; Y231-H267 PolarHBondContact OH-ND1 3.14Å; A253-H267 WeakPolarHBondContact CA-O 3.42Å; A253-H267 WeakPolarHBondContact CB-O 3.37Å; F254-H267 HydrophobicContact CD2-CB 4.29Å; F254-H267 HydrophobicContact CE1-CB 4.48Å; F254-H267 HydrophobicContact CE2-CB 3.95Å; F254-H267 HydrophobicContact CZ-CB 4.05Å; F254-H267 PolarHBondContact N-O 2.8Å; F254-H267 PolarHBondContact O-N 3.42Å; H267-F269 HydrophobicContact CB-CE2 3.71Å; H267-F269 HydrophobicContact CB-CZ 4.14Å
268	V	93.4	Very high	78.8	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.6	-171.9	-173	0	0	0	0	111	Y173 L174 G175 M192 L195 A253 I266	Y173-V268 VanDerWaalsContact CD2-O 3.32Å; Y173-V268 WeakPolarHBondContact CD2-O 3.48Å; L174-V268 HydrophobicContact CB-CB 4.41Å; L174-V268 HydrophobicContact CB-CG1 4.41Å; L174-V268 HydrophobicContact CD1-CG1 4.05Å; L174-V268 PolarHBondContact N-O 2.77Å; G175-V268 PolarHBondContact O-N 3.47Å; M192-V268 HydrophobicContact CB-CG1 4.31Å; M192-V268 HydrophobicContact CG-CG1 3.91Å; L195-V268 HydrophobicContact CB-CB 4.49Å; L195-V268 HydrophobicContact CB-CG2 4.42Å; L195-V268 HydrophobicContact CD1-CB 4.17Å; L195-V268 HydrophobicContact CD1-CG2 3.52Å; A253-V268 HydrophobicContact CB-CB 4.36Å; A253-V268 HydrophobicContact CB-CG1 4.44Å; A253-V268 HydrophobicContact CB-CG2 3.91Å; I266-V268 HydrophobicContact CG1-CG2 4.28Å
269	F	94	Very high	79.9	Confident	0 Å²	0	74 Å²	74	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.2	-176	-57.7	-93.6	0	0	0	110.6	Y173 V205 L219 C251 F252 F254 H267	Y173-F269 AromaticContact CD2-CD1 3.72Å; Y173-F269 HydrophobicContact CD2-CD1 3.72Å; Y173-F269 AromaticContact CD2-CE1 3.35Å; Y173-F269 HydrophobicContact CD2-CE1 3.35Å; Y173-F269 HydrophobicContact CD2-CE2 4.3Å; Y173-F269 HydrophobicContact CD2-CG 4.33Å; Y173-F269 AromaticContact CD2-CZ 3.68Å; Y173-F269 HydrophobicContact CD2-CZ 3.68Å; Y173-F269 HydrophobicContact CE2-CE1 4.03Å; Y173-F269 HydrophobicContact CE2-CE2 4.39Å; Y173-F269 AromaticContact CE2-CZ 3.88Å; Y173-F269 HydrophobicContact CE2-CZ 3.88Å; Y173-F269 HydrophobicContact CG-CD1 4.37Å; Y173-F269 HydrophobicContact CG-CE1 4.05Å; V205-F269 HydrophobicContact CG2-CD1 4.37Å; L219-F269 HydrophobicContact CD1-CE1 3.69Å; L219-F269 HydrophobicContact CD1-CZ 4.39Å; L219-F269 HydrophobicContact CD2-CE1 4.09Å; C251-F269 CarbonylContact C-O 3.46Å; C251-F269 VanDerWaalsContact CA-O 3.22Å; C251-F269 WeakPolarHBondContact CA-O 3.27Å; C251-F269 WeakPolarHBondContact CB-O 3.11Å; F252-F269 HydrophobicContact CD1-CB 3.97Å; F252-F269 HydrophobicContact CD2-CB 4.47Å; F252-F269 HydrophobicContact CD2-CD2 4.24Å; F252-F269 HydrophobicContact CE1-CB 3.43Å; F252-F269 VanDerWaalsContact CE1-CB 3.43Å; F252-F269 HydrophobicContact CE1-CG 4.15Å; F252-F269 HydrophobicContact CE2-CB 3.99Å; F252-F269 AromaticContact CE2-CD2 3.57Å; F252-F269 HydrophobicContact CE2-CD2 3.57Å; F252-F269 HydrophobicContact CE2-CE2 4.32Å; F252-F269 AromaticContact CE2-CG 3.95Å; F252-F269 HydrophobicContact CE2-CG 3.95Å; F252-F269 HydrophobicContact CG-CB 4.46Å; F252-F269 HydrophobicContact CZ-CB 3.42Å; F252-F269 VanDerWaalsContact CZ-CB 3.42Å; F252-F269 HydrophobicContact CZ-CD1 4.39Å; F252-F269 AromaticContact CZ-CD2 3.74Å; F252-F269 HydrophobicContact CZ-CD2 3.74Å; F252-F269 AromaticContact CZ-CG 3.6Å; F252-F269 HydrophobicContact CZ-CG 3.6Å; F252-F269 PolarHBondContact N-O 2.8Å; F252-F269 PolarHBondContact O-N 3.09Å; F252-F269 VanDerWaalsContact O-O 3.04Å; F254-F269 HydrophobicContact CD1-CD2 4.47Å; F254-F269 AromaticContact CD1-CE2 3.85Å; F254-F269 HydrophobicContact CD1-CE2 3.85Å; F254-F269 HydrophobicContact CE1-CD2 4.28Å; F254-F269 AromaticContact CE1-CE2 3.33Å; F254-F269 HydrophobicContact CE1-CE2 3.33Å; F254-F269 AromaticContact CE1-CZ 3.81Å; F254-F269 HydrophobicContact CE1-CZ 3.81Å; F254-F269 AromaticContact CZ-CE2 3.95Å; F254-F269 HydrophobicContact CZ-CE2 3.95Å; F254-F269 HydrophobicContact CZ-CZ 4.14Å; H267-F269 HydrophobicContact CB-CE2 3.71Å; H267-F269 HydrophobicContact CB-CZ 4.14Å
270	R	91.4	Very high	81.6	Confident	107 Å²	107	66.7 Å²	66.7	40%	0.404	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134	173.4	-171.2	176.9	-176.4	-143.5	-9	109.7	L171 T172 L174 D250	L171-R270 CarbonylContact C-O 3.59Å; L171-R270 WeakPolarHBondContact CA-O 3.13Å; T172-R270 PolarHBondContact N-O 2.79Å; T172-R270 PolarHBondContact O-N 3.03Å; L174-R270 HydrophobicContact CD1-CB 4.04Å; L174-R270 HydrophobicContact CD2-CB 4.24Å; L174-R270 HydrophobicContact CG-CB 4.14Å; D250-R270 IonicContact OD1-NE 2.63Å; D250-R270 IonicContact OD2-CZ 2.65Å; D250-R270 IonicContact OD2-NE 3.19Å; D250-R270 PolarHBondContact OD2-NE 2.87Å; D250-R270 IonicContact OD2-NH2 3.07Å; D250-R270 PolarHBondContact OD2-NH2 3.18Å
271	C	90.3	Very high	83.6	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.014	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	134.3	173.4	-57.3	0	0	0	0	109.6	L171 D250 I273 A276 V277	L171-C271 HydrophobicContact CD2-CB 3.99Å; L171-C271 WeakPolarHBondContact CD2-SG 3.38Å; D250-C271 PolarHBondContact O-N 3.27Å; C271-I273 VanDerWaalsContact CB-O 3.23Å; C271-I273 WeakPolarHBondContact CB-O 3.47Å; C271-I273 PolarHBondContact O-N 3.17Å; C271-A276 HydrophobicContact CB-CB 4.34Å; C271-V277 HydrophobicContact CB-CG2 4Å; C271-V277 WeakPolarHBondContact SG-CG2 3.31Å
272	Q	84.2	Confident	85	Confident	116 Å²	116	65.6 Å²	65.6	54%	0.542	30%	0.296	S	S	.	.	S	Bend	trans	-71.3	-20.5	171	-61.1	176.9	11.1	0	0	111.9	Q170	Q170-Q272 HydrophobicContact CB-CB 4.13Å; Q170-Q272 HydrophobicContact CB-CG 4.33Å; Q170-Q272 WeakPolarHBondContact O-CG 3.44Å; Q170-Q272 PolarHBondContact O-N 2.79Å
273	I	82.2	Confident	86.3	Confident	83 Å²	83	57.8 Å²	57.8	43%	0.426	26%	0.262	S	S	.	.	S	Bend	trans	-113.4	116.2	172.9	-59.2	173.4	0	0	0	108.5	C271 E275 A276	C271-I273 VanDerWaalsContact CB-O 3.23Å; C271-I273 WeakPolarHBondContact CB-O 3.47Å; C271-I273 PolarHBondContact O-N 3.17Å; I273-E275 VanDerWaalsContact C-N 3.29Å; I273-E275 HydrophobicContact CG2-CB 4.29Å; I273-E275 WeakPolarHBondContact CG2-OE2 3.41Å; I273-E275 PolarHBondContact O-N 3.25Å; I273-A276 HydrophobicContact CB-CB 4.2Å; I273-A276 HydrophobicContact CG2-CB 4.44Å; I273-A276 VanDerWaalsContact O-CB 3.23Å; I273-A276 WeakPolarHBondContact O-CB 3.45Å; I273-A276 PolarHBondContact O-N 2.94Å
274	R	76.9	Confident	87	Confident	102 Å²	102	53.9 Å²	53.9	39%	0.385	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-38.2	-175.9	176.8	168.1	170.6	-171.3	-5.6	112.7	D244 S249 A276 V277	D244-R274 IonicContact OD1-CZ 3.34Å; D244-R274 IonicContact OD1-NE 2.7Å; D244-R274 IonicContact OD1-NH2 3.63Å; D244-R274 PolarHBondContact OD1-NH2 3.09Å; S249-R274 WeakPolarHBondContact O-CG 3.5Å; R274-A276 PolarHBondContact O-N 2.71Å; R274-V277 WeakPolarHBondContact O-CB 3.25Å; R274-V277 PolarHBondContact O-N 3.19Å
275	E	78.6	Confident	86.6	Confident	133 Å²	133	53.9 Å²	53.9	62%	0.621	25%	0.25	S	S	*	.	H	α-helix	trans	-67.3	-18	179.3	-62	69.8	-154.4	0	0	112.7	I273	I273-E275 VanDerWaalsContact C-N 3.29Å; I273-E275 HydrophobicContact CG2-CB 4.29Å; I273-E275 WeakPolarHBondContact CG2-OE2 3.41Å; I273-E275 PolarHBondContact O-N 3.25Å
276	A	81.5	Confident	86.1	Confident	19 Å²	19	52.1 Å²	52.1	16%	0.157	25%	0.249	C	C	.	.	H	α-helix	trans	-69.1	-32.2	176.7	0	0	0	0	0	112.3	C271 I273 R274 S278 R279 I280	C271-A276 HydrophobicContact CB-CB 4.34Å; I273-A276 HydrophobicContact CB-CB 4.2Å; I273-A276 HydrophobicContact CG2-CB 4.44Å; I273-A276 VanDerWaalsContact O-CB 3.23Å; I273-A276 WeakPolarHBondContact O-CB 3.45Å; I273-A276 PolarHBondContact O-N 2.94Å; R274-A276 PolarHBondContact O-N 2.71Å; A276-S278 VanDerWaalsContact C-N 3.28Å; A276-S278 PolarHBondContact O-N 3.35Å; A276-R279 WeakPolarHBondContact O-CA 3.42Å; A276-R279 PolarHBondContact O-N 2.91Å; A276-I280 HydrophobicContact CB-CD1 4.28Å; A276-I280 WeakPolarHBondContact O-CD1 3.44Å; A276-I280 VanDerWaalsContact O-CG1 3.31Å; A276-I280 WeakPolarHBondContact O-CG1 3.25Å; A276-I280 PolarHBondContact O-N 3.32Å
277	V	86.3	Confident	85.4	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.024	25%	0.248	C	C	.	.	H	α-helix	trans	-49.5	-50	176.3	170.1	0	0	0	0	111.1	R241 F252 C271 R274 R279 I280 L281	R241-V277 HydrophobicContact CB-CG1 3.55Å; F252-V277 HydrophobicContact CB-CG1 4.2Å; C271-V277 HydrophobicContact CB-CG2 4Å; C271-V277 WeakPolarHBondContact SG-CG2 3.31Å; R274-V277 WeakPolarHBondContact O-CB 3.25Å; R274-V277 PolarHBondContact O-N 3.19Å; V277-R279 VanDerWaalsContact C-N 3.33Å; V277-R279 PolarHBondContact O-N 3.21Å; V277-I280 PolarHBondContact O-N 3Å; V277-L281 PolarHBondContact O-N 2.84Å
278	S	83.4	Confident	84.6	Confident	66 Å²	66	55.6 Å²	55.6	46%	0.462	26%	0.264	S	S	.	.	H	α-helix	trans	-68	-30.4	-179.6	-59.3	0	0	0	0	113	A276 Y282	A276-S278 VanDerWaalsContact C-N 3.28Å; A276-S278 PolarHBondContact O-N 3.35Å; S278-Y282 VanDerWaalsContact O-CB 3.28Å; S278-Y282 WeakPolarHBondContact O-CB 3.21Å; S278-Y282 PolarHBondContact O-N 3.42Å
279	R	85.3	Confident	83	Confident	170 Å²	170	61.6 Å²	61.6	64%	0.642	29%	0.286	S	S	*	.	H	α-helix	trans	-75.2	-39.3	175.7	-66.4	-177.6	61.9	-160	-5.8	112	F168 A276 V277 Y282 S283	F168-R279 HydrophobicContact CE1-CB 3.94Å; A276-R279 WeakPolarHBondContact O-CA 3.42Å; A276-R279 PolarHBondContact O-N 2.91Å; V277-R279 VanDerWaalsContact C-N 3.33Å; V277-R279 PolarHBondContact O-N 3.21Å; R279-Y282 PolarHBondContact O-N 3.39Å; R279-S283 PolarHBondContact O-N 2.99Å
280	I	88.3	Confident	80.6	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-51.4	175.6	-68.9	160.3	0	0	0	109.4	F168 L171 L207 F252 A276 V277 Y282 S283 F284	F168-I280 HydrophobicContact CB-CD1 4.29Å; F168-I280 HydrophobicContact CB-CG1 4.11Å; F168-I280 HydrophobicContact CD1-CD1 4.18Å; F168-I280 HydrophobicContact CD1-CG1 3.42Å; F168-I280 VanDerWaalsContact CD1-CG1 3.42Å; F168-I280 HydrophobicContact CD2-CG1 3.86Å; F168-I280 HydrophobicContact CE1-CG1 3.64Å; F168-I280 HydrophobicContact CE2-CG1 4.06Å; F168-I280 HydrophobicContact CG-CD1 4.22Å; F168-I280 HydrophobicContact CG-CG1 3.53Å; F168-I280 HydrophobicContact CZ-CB 4.46Å; F168-I280 HydrophobicContact CZ-CG1 3.94Å; L171-I280 HydrophobicContact CD1-CD1 4Å; L171-I280 HydrophobicContact CD2-CD1 3.71Å; L171-I280 HydrophobicContact CG-CD1 4.49Å; L207-I280 HydrophobicContact CD2-CG2 4.05Å; F252-I280 HydrophobicContact CD1-CD1 4.25Å; F252-I280 HydrophobicContact CD1-CG2 4.33Å; F252-I280 HydrophobicContact CD2-CG2 4.22Å; F252-I280 HydrophobicContact CE1-CD1 3.73Å; F252-I280 HydrophobicContact CE1-CG2 3.98Å; F252-I280 HydrophobicContact CE2-CG2 3.88Å; F252-I280 HydrophobicContact CG-CG2 4.45Å; F252-I280 HydrophobicContact CZ-CD1 4.37Å; F252-I280 HydrophobicContact CZ-CG2 3.76Å; A276-I280 HydrophobicContact CB-CD1 4.28Å; A276-I280 WeakPolarHBondContact O-CD1 3.44Å; A276-I280 VanDerWaalsContact O-CG1 3.31Å; A276-I280 WeakPolarHBondContact O-CG1 3.25Å; A276-I280 PolarHBondContact O-N 3.32Å; V277-I280 PolarHBondContact O-N 3Å; I280-Y282 VanDerWaalsContact C-N 3.28Å; I280-Y282 PolarHBondContact O-N 2.7Å; I280-S283 WeakPolarHBondContact O-CB 3.26Å; I280-S283 PolarHBondContact O-N 3.36Å; I280-F284 HydrophobicContact CG2-CD2 3.73Å; I280-F284 HydrophobicContact CG2-CE2 3.63Å; I280-F284 WeakPolarHBondContact O-CD2 3.37Å; I280-F284 PolarHBondContact O-N 2.88Å
281	L	89.3	Confident	78	Confident	30 Å²	30	64 Å²	64	16%	0.157	31%	0.305	C	S	.	.	H	α-helix	trans	-64.1	-30.4	175.6	-69.6	-171.4	0	0	0	113.1	C239 R241 V277 F284 A285	C239-L281 HydrophobicContact CB-CD2 3.78Å; R241-L281 HydrophobicContact CB-CD1 3.62Å; R241-L281 HydrophobicContact CG-CD1 4.04Å; V277-L281 PolarHBondContact O-N 2.84Å; L281-F284 HydrophobicContact CD2-CD2 4.47Å; L281-A285 WeakPolarHBondContact O-CB 3.48Å; L281-A285 PolarHBondContact O-N 3.16Å
282	Y	84.4	Confident	75.3	Confident	148 Å²	148	67.9 Å²	67.9	58%	0.58	34%	0.337	S	S	*	.	H	α-helix	trans	-66	-39.8	170.5	-174.4	-84.5	0	0	0	112.2	S278 R279 I280 A285 T286	S278-Y282 VanDerWaalsContact O-CB 3.28Å; S278-Y282 WeakPolarHBondContact O-CB 3.21Å; S278-Y282 PolarHBondContact O-N 3.42Å; R279-Y282 PolarHBondContact O-N 3.39Å; I280-Y282 VanDerWaalsContact C-N 3.28Å; I280-Y282 PolarHBondContact O-N 2.7Å; Y282-A285 CarbonylContact O-C 3.55Å; Y282-A285 PolarHBondContact O-N 2.86Å; Y282-T286 WeakPolarHBondContact O-CB 3.17Å; Y282-T286 PolarHBondContact O-N 2.63Å; Y282-T286 PolarHBondContact O-OG1 3.03Å
283	S	85.8	Confident	72.9	Confident	15 Å²	15	69.5 Å²	69.5	11%	0.105	34%	0.343	C	S	.	.	H	α-helix	trans	-67.6	-43.3	174.5	-76.6	0	0	0	0	112.1	F168 R279 I280 A285 T286 A287	F168-S283 WeakPolarHBondContact CZ-OG 3.5Å; R279-S283 PolarHBondContact O-N 2.99Å; I280-S283 WeakPolarHBondContact O-CB 3.26Å; I280-S283 PolarHBondContact O-N 3.36Å; S283-A285 PolarHBondContact O-N 2.88Å; S283-T286 CarbonylContact O-C 3.55Å; S283-T286 WeakPolarHBondContact O-CA 3.47Å; S283-T286 WeakPolarHBondContact O-CB 3.33Å; S283-T286 PolarHBondContact O-N 3.13Å; S283-A287 PolarHBondContact O-N 3.41Å
284	F	88.1	Confident	70.6	Confident	1 Å²	1	75.2 Å²	75.2	0%	0.004	36%	0.364	C	S	.	.	H	α-helix	trans	-56.6	-49.7	168.9	-85.3	-76.6	0	0	0	111	L207 V209 V217 I233 I236 F252 F254 I280 L281 T286 A287 F288	L207-F284 HydrophobicContact CD2-CE2 3.82Å; L207-F284 HydrophobicContact CD2-CZ 4.09Å; V209-F284 HydrophobicContact CG1-CD1 4.44Å; V209-F284 HydrophobicContact CG1-CG 4.39Å; V209-F284 HydrophobicContact CG2-CD2 4.34Å; V209-F284 HydrophobicContact CG2-CE2 4.03Å; V209-F284 HydrophobicContact CG2-CZ 4.24Å; V217-F284 HydrophobicContact CG1-CE1 4.45Å; V217-F284 HydrophobicContact CG1-CZ 4.21Å; V217-F284 HydrophobicContact CG2-CE1 3.84Å; V217-F284 HydrophobicContact CG2-CZ 4.38Å; I233-F284 HydrophobicContact CD1-CD1 4.46Å; I236-F284 HydrophobicContact CD1-CE1 3.85Å; F252-F284 HydrophobicContact CE2-CE2 4.12Å; F254-F284 HydrophobicContact CD1-CE1 4.31Å; F254-F284 AromaticContact CD1-CZ 3.77Å; F254-F284 HydrophobicContact CD1-CZ 3.77Å; F254-F284 HydrophobicContact CE1-CZ 4.01Å; I280-F284 HydrophobicContact CG2-CD2 3.73Å; I280-F284 HydrophobicContact CG2-CE2 3.63Å; I280-F284 WeakPolarHBondContact O-CD2 3.37Å; I280-F284 PolarHBondContact O-N 2.88Å; L281-F284 HydrophobicContact CD2-CD2 4.47Å; F284-T286 PolarHBondContact O-N 3.35Å; F284-A287 PolarHBondContact O-N 2.99Å; F284-A287 VanDerWaalsContact O-N 3.17Å; F284-F288 VanDerWaalsContact C-CD2 3.49Å; F284-F288 HydrophobicContact CB-CD2 4.21Å; F284-F288 HydrophobicContact CB-CE2 3.86Å; F284-F288 AromaticContact CD1-CE2 3.98Å; F284-F288 HydrophobicContact CD1-CE2 3.98Å; F284-F288 HydrophobicContact CD1-CZ 4.04Å; F284-F288 HydrophobicContact CG-CE2 4.37Å; F284-F288 WeakPolarHBondContact O-CB 3.4Å; F284-F288 WeakPolarHBondContact O-CD2 3.08Å; F284-F288 VanDerWaalsContact O-CG 3.29Å; F284-F288 WeakPolarHBondContact O-CG 3.24Å; F284-F288 PolarHBondContact O-N 3.42Å
285	A	80.2	Confident	68.4	Low	47 Å²	47	75.3 Å²	75.3	39%	0.388	39%	0.387	S	S	.	.	H	α-helix	trans	-68.6	0.5	174.5	0	0	0	0	0	114.1	L281 Y282 S283 R289	L281-A285 WeakPolarHBondContact O-CB 3.48Å; L281-A285 PolarHBondContact O-N 3.16Å; Y282-A285 CarbonylContact O-C 3.55Å; Y282-A285 PolarHBondContact O-N 2.86Å; S283-A285 PolarHBondContact O-N 2.88Å; A285-R289 WeakPolarHBondContact O-CB 3.37Å; A285-R289 PolarHBondContact O-NE 3.38Å; A285-R289 PolarHBondContact O-NH2 3.35Å
286	T	78.6	Confident	66.2	Low	45 Å²	45	77.1 Å²	77.1	28%	0.276	40%	0.4	S	S	.	.	H	α-helix	trans	-100.5	-43	169.3	-57.2	0	0	0	0	109.9	Y282 S283 F284 F288 R289	Y282-T286 WeakPolarHBondContact O-CB 3.17Å; Y282-T286 PolarHBondContact O-N 2.63Å; Y282-T286 PolarHBondContact O-OG1 3.03Å; S283-T286 CarbonylContact O-C 3.55Å; S283-T286 WeakPolarHBondContact O-CA 3.47Å; S283-T286 WeakPolarHBondContact O-CB 3.33Å; S283-T286 PolarHBondContact O-N 3.13Å; F284-T286 PolarHBondContact O-N 3.35Å; T286-F288 VanDerWaalsContact C-N 3.34Å; T286-F288 PolarHBondContact O-N 2.99Å; T286-R289 WeakPolarHBondContact O-CB 3.35Å; T286-R289 PolarHBondContact O-N 3.23Å; T286-R289 PolarHBondContact OG1-NH2 3.4Å
287	A	78.8	Confident	63.7	Low	0 Å²	0	84.4 Å²	84.4	0%	0	44%	0.435	C	S	.	.	H	α-helix	trans	-57.9	-43.2	168.6	0	0	0	0	0	112.4	V209 P210 S213 I233 S283 F284 R289	V209-A287 HydrophobicContact CG1-CB 4.39Å; P210-A287 VanDerWaalsContact O-CB 3.28Å; P210-A287 WeakPolarHBondContact O-CB 3.49Å; S213-A287 WeakPolarHBondContact CA-O 3.45Å; S213-A287 VanDerWaalsContact CB-O 3.29Å; S213-A287 WeakPolarHBondContact CB-O 3.19Å; S213-A287 PolarHBondContact N-O 2.91Å; I233-A287 HydrophobicContact CD1-CB 3.56Å; I233-A287 HydrophobicContact CG1-CB 4.09Å; S283-A287 PolarHBondContact O-N 3.41Å; F284-A287 PolarHBondContact O-N 2.99Å; F284-A287 VanDerWaalsContact O-N 3.17Å; A287-R289 PolarHBondContact O-N 3.37Å
288	F	75.9	Confident	61.2	Low	80 Å²	80	89.5 Å²	89.5	35%	0.351	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-9.2	174.1	-60.5	-48.7	0	0	0	113.8	I233 I236 F284 T286 R290	I233-F288 HydrophobicContact CD1-CE1 4.38Å; I233-F288 HydrophobicContact CG2-CD1 3.78Å; I233-F288 HydrophobicContact CG2-CE1 3.88Å; I236-F288 HydrophobicContact CB-CE1 4.24Å; I236-F288 HydrophobicContact CB-CZ 4.04Å; I236-F288 HydrophobicContact CG2-CE1 4.48Å; I236-F288 HydrophobicContact CG2-CZ 3.81Å; F284-F288 VanDerWaalsContact C-CD2 3.49Å; F284-F288 HydrophobicContact CB-CD2 4.21Å; F284-F288 HydrophobicContact CB-CE2 3.86Å; F284-F288 AromaticContact CD1-CE2 3.98Å; F284-F288 HydrophobicContact CD1-CE2 3.98Å; F284-F288 HydrophobicContact CD1-CZ 4.04Å; F284-F288 HydrophobicContact CG-CE2 4.37Å; F284-F288 WeakPolarHBondContact O-CB 3.4Å; F284-F288 WeakPolarHBondContact O-CD2 3.08Å; F284-F288 VanDerWaalsContact O-CG 3.29Å; F284-F288 WeakPolarHBondContact O-CG 3.24Å; F284-F288 PolarHBondContact O-N 3.42Å; T286-F288 VanDerWaalsContact C-N 3.34Å; T286-F288 PolarHBondContact O-N 2.99Å; F288-R290 PolarHBondContact O-N 2.95Å
289	R	59.7	Low	58.7	Low	125 Å²	125	92.1 Å²	92.1	47%	0.472	49%	0.489	S	S	.	.	S	Bend	trans	-85.1	111	-177.8	-119.8	-178.6	-66.3	171.9	7.6	110	A285 T286 A287 S291	A285-R289 WeakPolarHBondContact O-CB 3.37Å; A285-R289 PolarHBondContact O-NE 3.38Å; A285-R289 PolarHBondContact O-NH2 3.35Å; T286-R289 WeakPolarHBondContact O-CB 3.35Å; T286-R289 PolarHBondContact O-N 3.23Å; T286-R289 PolarHBondContact OG1-NH2 3.4Å; A287-R289 PolarHBondContact O-N 3.37Å; R289-S291 WeakPolarHBondContact O-CA 3.46Å; R289-S291 PolarHBondContact O-N 3.04Å
290	R	43.6	Very low	56.4	Low	95 Å²	95	92.9 Å²	92.9	36%	0.358	50%	0.5	S	S	.	.			trans	-19.6	97.8	162.8	-58	-169.5	119.7	-174.4	-17	111.8	F288 A292 E366 V436 I437 V440	F288-R290 PolarHBondContact O-N 2.95Å; R290-A292 VanDerWaalsContact C-N 3.34Å; R290-A292 PolarHBondContact O-N 3.1Å; R290-E366 VanDerWaalsContact CB-OE1 3.29Å; R290-E366 WeakPolarHBondContact CB-OE1 3.39Å; R290-E366 VanDerWaalsContact CD-OE1 3.31Å; R290-E366 WeakPolarHBondContact CD-OE1 3.5Å; R290-E366 WeakPolarHBondContact CG-OE1 3.35Å; R290-E366 IonicContact CZ-OE1 3.64Å; R290-E366 IonicContact CZ-OE2 2.71Å; R290-E366 VanDerWaalsContact CZ-OE2 3.24Å; R290-E366 IonicContact NE-OE1 3.78Å; R290-E366 PolarHBondContact NE-OE1 2.86Å; R290-E366 IonicContact NE-OE2 3.34Å; R290-E366 PolarHBondContact NE-OE2 3.37Å; R290-E366 IonicContact NH2-OE1 2.72Å; R290-E366 IonicContact NH2-OE2 3.12Å; R290-E366 PolarHBondContact NH2-OE2 3.12Å; R290-V436 VanDerWaalsContact NH2-CG1 3.29Å; R290-I437 PolarHBondContact NH2-O 3.49Å; R290-V440 PolarHBondContact NH1-O 3.05Å; R290-V440 PolarHBondContact NH2-O 3.35Å
291	S	36.8	Very low	53.7	Low	62 Å²	62	102.1 Å²	102.1	43%	0.434	54%	0.543	S	S	.	.			trans	-84.3	73.4	-163.1	67.2	0	0	0	0	112.7	R289 K293	R289-S291 WeakPolarHBondContact O-CA 3.46Å; R289-S291 PolarHBondContact O-N 3.04Å; S291-K293 PolarHBondContact O-N 3.32Å
292	A	33.4	Very low	51	Low	85 Å²	85	108.3 Å²	108.3	70%	0.702	58%	0.577	S	S	*	*			trans	-69.5	61.4	177	0	0	0	0	0	113.3	R290 K294	R290-A292 VanDerWaalsContact C-N 3.34Å; R290-A292 PolarHBondContact O-N 3.1Å; A292-K294 PolarHBondContact O-N 3.13Å
293	K	33.2	Very low	48.3	Very low	149 Å²	149	105.1 Å²	105.1	65%	0.648	58%	0.581	S	S	*	*			trans	-65	96.6	169.6	-83.3	-176.6	175.6	175.6	0	108.5	D164 S291 A295	D164-K293 IonicContact OD2-NZ 3.02Å; D164-K293 PolarHBondContact OD2-NZ 3.41Å; S291-K293 PolarHBondContact O-N 3.32Å; K293-A295 PolarHBondContact O-N 3.33Å
294	K	35.3	Very low	45.9	Very low	204 Å²	204	110.3 Å²	110.3	89%	0.887	61%	0.614	S	S	*	*			trans	-55.8	102.1	176.1	-94.7	-178.3	172.8	173.6	0	111.4	A292 L296	A292-K294 PolarHBondContact O-N 3.13Å; K294-L296 PolarHBondContact O-N 3.29Å
295	A	29.4	Very low	43.3	Very low	103 Å²	103	118.5 Å²	118.5	85%	0.851	66%	0.657	S	S	*	*			trans	-73.9	90.1	172.6	0	0	0	0	0	110.8	K293 L297	K293-A295 PolarHBondContact O-N 3.33Å; A295-L297 PolarHBondContact O-N 2.91Å
296	L	32.6	Very low	41.1	Very low	172 Å²	172	120.6 Å²	120.6	90%	0.901	67%	0.665	S	S	*	*			trans	-84.5	90.1	171.2	-173.6	90.9	0	0	0	110.1	K294	K294-L296 PolarHBondContact O-N 3.29Å
297	L	30.2	Very low	39.2	Very low	172 Å²	172	123.9 Å²	123.9	90%	0.901	69%	0.688	S	S	*	*			trans	-142.9	151.1	163.6	-106.1	177.7	0	0	0	112.6	A295	A295-L297 PolarHBondContact O-N 2.91Å
298	S	34	Very low	37.8	Very low	111 Å²	111	132 Å²	132	78%	0.776	73%	0.731	S	S	*	*			trans	-114.8	124.1	-165.6	57	0	0	0	0	113.1
299	S	30.2	Very low	37.1	Very low	121 Å²	121	131 Å²	131	85%	0.846	73%	0.734	S	S	*	*			trans	-154.8	129.8	153.8	57	0	0	0	0	110.3
300	Q	36.1	Very low	38	Very low	186 Å²	186	128.7 Å²	128.7	87%	0.869	73%	0.731	S	S	*	*			trans	-76.6	128.5	-180	-62.8	168.9	-60	0	0	111.2
301	Q	31.5	Very low	40	Very low	193 Å²	193	126.9 Å²	126.9	90%	0.902	73%	0.728	S	S	*	*			trans	-153.1	123.7	145.2	-111.6	167.9	27.5	0	0	108.8	A303	Q301-A303 PolarHBondContact O-N 3.15Å
302	N	33.1	Very low	42.6	Very low	160 Å²	160	124 Å²	124	86%	0.856	71%	0.708	S	S	*	*			trans	-81.6	113.7	-168.8	-65.5	-7.1	0	0	0	111.4
303	A	28.5	Very low	45.3	Very low	81 Å²	81	120.9 Å²	120.9	67%	0.669	68%	0.68	S	S	*	*			trans	-94.8	147.9	150.1	0	0	0	0	0	108.9	Q301 L305	Q301-A303 PolarHBondContact O-N 3.15Å; A303-L305 PolarHBondContact O-N 3.18Å
304	P	34.3	Very low	48.2	Very low	125 Å²	125	113.8 Å²	113.8	81%	0.812	65%	0.649	S	S	*	*			trans	-71.7	114.6	-178.6	28.4	-33.3	0	0	0	111.1	T306	P304-T306 PolarHBondContact O-N 3.23Å; P304-T306 VanDerWaalsContact O-N 3.14Å
305	L	34.7	Very low	51	Low	173 Å²	173	105.7 Å²	105.7	91%	0.906	62%	0.616	S	S	*	*			trans	-66.5	107	167.9	-74.8	164.4	0	0	0	109.4	A303	A303-L305 PolarHBondContact O-N 3.18Å
306	T	33	Very low	54.1	Low	91 Å²	91	100.8 Å²	100.8	56%	0.558	58%	0.576	S	S	*	*			trans	-73.5	136.8	164.9	48.1	0	0	0	0	109.6	P304	P304-T306 PolarHBondContact O-N 3.23Å; P304-T306 VanDerWaalsContact O-N 3.14Å
307	P	39.4	Very low	57	Low	114 Å²	114	93.5 Å²	93.5	74%	0.74	54%	0.539	S	S	*	.			trans	-70.9	149.4	180	31.1	-35.7	0	0	0	111.8	S309	P307-S309 PolarHBondContact O-N 3.1Å
308	D	49.5	Very low	60	Low	171 Å²	171	85.3 Å²	85.3	91%	0.914	50%	0.496	S	S	*	.	S	Bend	trans	13.2	76.7	164.4	-57.5	-23.7	0	0	0	115.4
309	S	60	Low	62.8	Low	58 Å²	58	81.4 Å²	81.4	41%	0.406	47%	0.466	S	S	.	.			trans	-112.4	133.6	172.6	-167.7	0	0	0	0	109.7	P307 L311 N360	P307-S309 PolarHBondContact O-N 3.1Å; S309-L311 PolarHBondContact O-N 2.82Å; S309-L311 VanDerWaalsContact O-N 3.09Å; S309-N360 PolarHBondContact O-ND2 3.05Å
310	D	79.6	Confident	65.7	Low	77 Å²	77	75.7 Å²	75.7	41%	0.412	43%	0.426	S	S	.	.	S	Bend	trans	-63.6	-7.2	172.3	-67.4	-8.5	0	0	0	113.2	K477 L478	D310-K477 HydrophobicContact CB-CD 4.49Å; D310-K477 HydrophobicContact CB-CG 3.87Å; D310-K477 CarbonylContact O-C 3.57Å; D310-K477 WeakPolarHBondContact O-CA 3.18Å; D310-K477 WeakPolarHBondContact OD2-CE 3.39Å; D310-L478 VanDerWaalsContact CB-O 3.25Å; D310-L478 WeakPolarHBondContact CB-O 3.37Å; D310-L478 PolarHBondContact O-N 2.78Å
311	L	86.3	Confident	68.3	Low	57 Å²	57	70.4 Å²	70.4	30%	0.298	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.3	-167.5	-160.7	69.6	0	0	0	113.1	S309 N360 Y475 K477	S309-L311 PolarHBondContact O-N 2.82Å; S309-L311 VanDerWaalsContact O-N 3.09Å; L311-N360 PolarHBondContact O-ND2 2.75Å; L311-Y475 HydrophobicContact CD2-CD1 4.2Å; L311-K477 HydrophobicContact CD1-CB 4.04Å; L311-K477 HydrophobicContact CD1-CG 4.48Å
312	F	89.5	Confident	71.1	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.009	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.6	-179.8	-64.2	-105	0	0	0	109	F314 N360 K361 L363 L476 L478	F312-F314 HydrophobicContact CB-CE2 3.91Å; F312-N360 HydrophobicContact CD1-CB 3.71Å; F312-N360 HydrophobicContact CE1-CB 3.91Å; F312-N360 HydrophobicContact CG-CB 4.18Å; F312-K361 HydrophobicContact CE1-CB 4.43Å; F312-K361 WeakPolarHBondContact CE1-O 3.35Å; F312-L363 HydrophobicContact CD1-CD1 3.49Å; F312-L363 VanDerWaalsContact CD1-CD1 3.49Å; F312-L363 HydrophobicContact CD1-CD2 4.36Å; F312-L363 HydrophobicContact CD1-CG 3.73Å; F312-L363 HydrophobicContact CE1-CD1 3.75Å; F312-L363 HydrophobicContact CE1-CD2 3.84Å; F312-L363 HydrophobicContact CE1-CG 3.73Å; F312-L363 HydrophobicContact CG-CD1 3.97Å; F312-L363 HydrophobicContact CZ-CD1 4.42Å; F312-L363 HydrophobicContact CZ-CD2 4.47Å; F312-L476 HydrophobicContact CB-CB 4.4Å; F312-L476 PolarHBondContact N-O 2.7Å; F312-L476 PolarHBondContact O-N 2.74Å; F312-L478 HydrophobicContact CD2-CB 4.16Å; F312-L478 HydrophobicContact CD2-CD1 3.76Å; F312-L478 HydrophobicContact CD2-CG 3.96Å; F312-L478 HydrophobicContact CE2-CB 3.96Å; F312-L478 HydrophobicContact CE2-CD1 3.77Å; F312-L478 HydrophobicContact CE2-CG 4.14Å; F312-L478 HydrophobicContact CG-CD1 4.31Å; F312-L478 HydrophobicContact CZ-CD1 4.28Å
313	T	90.5	Very high	73.7	Confident	18 Å²	18	55.7 Å²	55.7	11%	0.11	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.5	-175.9	-48.3	0	0	0	0	111.1	Q357 T358 S359 T473 F474 Y475	T313-Q357 CarbonylContact O-C 3.55Å; T313-Q357 WeakPolarHBondContact O-CA 3.22Å; T313-Q357 WeakPolarHBondContact O-CG 3.49Å; T313-T358 WeakPolarHBondContact CB-OG1 3.14Å; T313-T358 WeakPolarHBondContact CG2-OG1 3.3Å; T313-T358 PolarHBondContact O-N 2.93Å; T313-T358 PolarHBondContact O-OG1 2.88Å; T313-S359 WeakPolarHBondContact CB-OG 3.49Å; T313-S359 PolarHBondContact N-OG 2.88Å; T313-S359 PolarHBondContact OG1-OG 3.18Å; T313-T473 HydrophobicContact CG2-CG2 3.33Å; T313-F474 CarbonylContact C-O 3.56Å; T313-F474 WeakPolarHBondContact CA-O 3.36Å; T313-Y475 HydrophobicContact CG2-CD1 4.17Å; T313-Y475 HydrophobicContact CG2-CE1 3.93Å
314	F	93.8	Very high	76.1	Confident	1 Å²	1	54.9 Å²	54.9	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.5	178.3	-66.7	-93.3	0	0	0	110.2	F312 V316 I355 Q356 Q357 L363 I437 F446 T473 F474 L476	F312-F314 HydrophobicContact CB-CE2 3.91Å; F314-V316 HydrophobicContact CB-CG2 4.5Å; F314-I355 HydrophobicContact CD1-CG2 4.15Å; F314-Q356 CarbonylContact C-O 3.55Å; F314-Q356 WeakPolarHBondContact CA-O 3.42Å; F314-Q357 HydrophobicContact CD1-CB 3.91Å; F314-Q357 HydrophobicContact CD1-CG 4.09Å; F314-Q357 HydrophobicContact CE1-CB 3.77Å; F314-Q357 HydrophobicContact CE1-CG 3.79Å; F314-Q357 HydrophobicContact CE2-CG 4.45Å; F314-Q357 HydrophobicContact CZ-CB 4.46Å; F314-Q357 HydrophobicContact CZ-CG 3.99Å; F314-L363 HydrophobicContact CZ-CD1 4.36Å; F314-I437 HydrophobicContact CZ-CD1 4.34Å; F314-F446 HydrophobicContact CB-CE1 3.88Å; F314-F446 HydrophobicContact CB-CZ 4.19Å; F314-F446 HydrophobicContact CD1-CZ 4.38Å; F314-F446 HydrophobicContact CD2-CE1 4.23Å; F314-F446 HydrophobicContact CD2-CZ 4.08Å; F314-F446 HydrophobicContact CG-CE1 4.11Å; F314-F446 AromaticContact CG-CZ 3.97Å; F314-F446 HydrophobicContact CG-CZ 3.97Å; F314-T473 CarbonylContact O-C 3.57Å; F314-F474 PolarHBondContact N-O 3.01Å; F314-F474 PolarHBondContact O-N 3.48Å; F314-L476 HydrophobicContact CD2-CB 4.25Å; F314-L476 HydrophobicContact CE2-CB 4.11Å; F314-L476 HydrophobicContact CE2-CD2 3.8Å; F314-L476 HydrophobicContact CZ-CD2 4.5Å
315	T	94.1	Very high	77.8	Confident	33 Å²	33	52.1 Å²	52.1	20%	0.202	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	117.7	168.6	-59.3	0	0	0	0	108.7	Q356 T358 T471	T315-Q356 PolarHBondContact N-O 2.87Å; T315-Q356 PolarHBondContact O-N 3.32Å; T315-T358 WeakPolarHBondContact OG1-CG2 3.36Å; T315-T471 HydrophobicContact CG2-CG2 3.51Å
316	V	95.1	Very high	79.6	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.7	-177.9	-175.8	0	0	0	0	108.8	F314 I353 Y354 I355 F446 L448 T471 E472 F474	F314-V316 HydrophobicContact CB-CG2 4.5Å; V316-I353 HydrophobicContact CG1-CG2 3.52Å; V316-Y354 CarbonylContact C-O 3.53Å; V316-Y354 VanDerWaalsContact CA-O 3.32Å; V316-Y354 WeakPolarHBondContact CA-O 3.35Å; V316-I355 HydrophobicContact CG1-CG1 4.22Å; V316-I355 HydrophobicContact CG2-CG1 4.44Å; V316-I355 HydrophobicContact CG2-CG2 4.28Å; V316-F446 HydrophobicContact CG2-CB 4.33Å; V316-F446 HydrophobicContact CG2-CD1 3.82Å; V316-F446 HydrophobicContact CG2-CE1 4.3Å; V316-F446 HydrophobicContact CG2-CG 4.08Å; V316-L448 HydrophobicContact CB-CD2 4.44Å; V316-L448 HydrophobicContact CG1-CD1 3.87Å; V316-L448 HydrophobicContact CG1-CD2 4.01Å; V316-L448 HydrophobicContact CG1-CG 4.41Å; V316-T471 WeakPolarHBondContact O-CA 3.32Å; V316-E472 PolarHBondContact N-O 2.8Å; V316-E472 PolarHBondContact O-N 2.85Å; V316-F474 HydrophobicContact CB-CD2 3.99Å; V316-F474 HydrophobicContact CB-CE2 3.84Å; V316-F474 HydrophobicContact CG2-CD2 3.65Å; V316-F474 HydrophobicContact CG2-CE2 3.92Å
317	S	93.1	Very high	81.2	Confident	19 Å²	19	50.9 Å²	50.9	13%	0.133	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129	-179.1	-56.8	0	0	0	0	111.8	I353 Y354 Y470 T471	S317-I353 CarbonylContact O-C 3.57Å; S317-I353 VanDerWaalsContact O-CA 3.28Å; S317-I353 WeakPolarHBondContact O-CA 3.38Å; S317-Y354 PolarHBondContact N-O 3.06Å; S317-Y354 PolarHBondContact O-N 2.73Å; S317-Y470 CarbonylContact C-O 3.09Å; S317-Y470 WeakPolarHBondContact CA-O 3.17Å; S317-T471 WeakPolarHBondContact CB-OG1 3.38Å; S317-T471 VanDerWaalsContact OG-CG2 3.29Å; S317-T471 WeakPolarHBondContact OG-CG2 3.37Å; S317-T471 PolarHBondContact OG-OG1 2.97Å
318	L	93.8	Very high	83	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119	175.8	161.8	59.8	0	0	0	110.2	I320 F341 I351 I353 L448 T450 S469 Y470	L318-I320 HydrophobicContact CD1-CG1 4.18Å; L318-F341 HydrophobicContact CG-CE2 4.5Å; L318-I351 HydrophobicContact CD1-CD1 4.23Å; L318-I351 HydrophobicContact CD1-CG2 3.75Å; L318-I353 HydrophobicContact CB-CD1 3.87Å; L318-I353 HydrophobicContact CD1-CD1 3.68Å; L318-I353 HydrophobicContact CG-CD1 4.32Å; L318-L448 HydrophobicContact CB-CD2 4.07Å; L318-L448 HydrophobicContact CD2-CB 4.38Å; L318-T450 HydrophobicContact CD2-CG2 3.78Å; L318-S469 CarbonylContact O-C 3.59Å; L318-S469 VanDerWaalsContact O-CA 3.26Å; L318-S469 WeakPolarHBondContact O-CA 3.32Å; L318-S469 WeakPolarHBondContact O-CB 3.44Å; L318-Y470 PolarHBondContact N-O 3.3Å; L318-Y470 PolarHBondContact O-N 2.99Å
319	E	92.3	Very high	84.8	Confident	29 Å²	29	44.2 Å²	44.2	14%	0.136	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.5	169	-174.5	-167.6	167.5	0	0	109.4	R321 A331 V352 Y354	E319-R321 VanDerWaalsContact CD-NH2 3.27Å; E319-R321 HydrophobicContact CG-CG 4.39Å; E319-R321 IonicContact OE1-CZ 2.65Å; E319-R321 IonicContact OE1-NE 3.94Å; E319-R321 PolarHBondContact OE1-NE 2.92Å; E319-R321 IonicContact OE1-NH2 3.62Å; E319-R321 PolarHBondContact OE1-NH2 3.32Å; E319-R321 IonicContact OE2-CZ 2.62Å; E319-R321 IonicContact OE2-NE 2.85Å; E319-R321 IonicContact OE2-NH2 3.33Å; E319-R321 PolarHBondContact OE2-NH2 3.1Å; E319-A331 HydrophobicContact CG-CB 4.37Å; E319-A331 WeakPolarHBondContact OE1-CB 3.4Å; E319-V352 HydrophobicContact CB-CB 4.35Å; E319-V352 PolarHBondContact N-O 3.45Å; E319-V352 PolarHBondContact O-N 2.89Å; E319-Y354 HydrophobicContact CB-CE2 3.94Å; E319-Y354 WeakPolarHBondContact OE2-CE2 3.36Å; E319-Y354 PolarHBondContact OE2-OH 2.84Å
320	I	92	Very high	85.9	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.4	170.7	-47.7	176.2	0	0	0	108	L318 V332 F341 L343 I351 M429	L318-I320 HydrophobicContact CD1-CG1 4.18Å; I320-V332 HydrophobicContact CB-CB 4.28Å; I320-V332 HydrophobicContact CB-CG2 3.99Å; I320-V332 HydrophobicContact CG2-CG2 3.9Å; I320-V332 WeakPolarHBondContact O-CB 3.45Å; I320-V332 WeakPolarHBondContact O-CG2 3.2Å; I320-V332 PolarHBondContact O-N 2.81Å; I320-F341 HydrophobicContact CD1-CB 4.06Å; I320-F341 HydrophobicContact CD1-CD1 4.17Å; I320-F341 HydrophobicContact CD1-CD2 3.59Å; I320-F341 HydrophobicContact CD1-CE2 3.96Å; I320-F341 HydrophobicContact CD1-CG 3.69Å; I320-F341 HydrophobicContact CD1-CZ 4.4Å; I320-F341 HydrophobicContact CG1-CD1 4.46Å; I320-F341 HydrophobicContact CG1-CD2 4.37Å; I320-F341 HydrophobicContact CG1-CE1 4.41Å; I320-F341 HydrophobicContact CG1-CE2 4.29Å; I320-F341 HydrophobicContact CG1-CG 4.44Å; I320-F341 HydrophobicContact CG1-CZ 4.31Å; I320-L343 HydrophobicContact CD1-CD2 4.13Å; I320-L343 HydrophobicContact CG2-CD2 3.89Å; I320-I351 HydrophobicContact CB-CD1 4.47Å; I320-I351 HydrophobicContact CD1-CD1 4.5Å; I320-I351 HydrophobicContact CG1-CD1 3.92Å; I320-I351 HydrophobicContact CG2-CD1 4.16Å; I320-M429 HydrophobicContact CD1-CE 3.68Å
321	R	90.8	Very high	86.2	Confident	76 Å²	76	40.4 Å²	40.4	29%	0.287	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.3	170.6	-54.9	-173.1	172.6	152.6	9.7	110.1	E319 F329 S330 A331 K349 K350 Y354	E319-R321 VanDerWaalsContact CD-NH2 3.27Å; E319-R321 HydrophobicContact CG-CG 4.39Å; E319-R321 IonicContact OE1-CZ 2.65Å; E319-R321 IonicContact OE1-NE 3.94Å; E319-R321 PolarHBondContact OE1-NE 2.92Å; E319-R321 IonicContact OE1-NH2 3.62Å; E319-R321 PolarHBondContact OE1-NH2 3.32Å; E319-R321 IonicContact OE2-CZ 2.62Å; E319-R321 IonicContact OE2-NE 2.85Å; E319-R321 IonicContact OE2-NH2 3.33Å; E319-R321 PolarHBondContact OE2-NH2 3.1Å; R321-F329 HydrophobicContact CB-CB 3.93Å; R321-S330 CarbonylContact C-O 3.59Å; R321-S330 VanDerWaalsContact CA-O 3.27Å; R321-S330 WeakPolarHBondContact CA-O 3.27Å; R321-A331 HydrophobicContact CG-CB 4.42Å; R321-K349 CarbonylContact O-C 3.55Å; R321-K349 WeakPolarHBondContact O-CA 3.48Å; R321-K349 WeakPolarHBondContact O-CB 3.31Å; R321-K350 HydrophobicContact CB-CB 4.49Å; R321-K350 PolarHBondContact N-O 3.11Å; R321-K350 PolarHBondContact O-N 2.79Å; R321-Y354 PolarHBondContact NH2-OH 2.79Å
322	E	90.5	Very high	86.1	Confident	5 Å²	5	38.1 Å²	38.1	2%	0.023	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.9	175.1	-67.6	-176	141.6	0	0	110.1	D324 F329 S330 V332 L343 R344 D348 K349	E322-D324 PolarHBondContact O-N 2.89Å; E322-F329 CarbonylContact O-C 3.57Å; E322-F329 WeakPolarHBondContact O-CA 3.3Å; E322-S330 PolarHBondContact N-O 2.66Å; E322-S330 PolarHBondContact O-N 2.8Å; E322-S330 PolarHBondContact O-OG 2.88Å; E322-V332 HydrophobicContact CG-CG2 3.68Å; E322-L343 WeakPolarHBondContact OE1-CA 3.47Å; E322-R344 VanDerWaalsContact CB-NH2 3.26Å; E322-R344 PolarHBondContact OE1-N 2.88Å; E322-R344 IonicContact OE2-CZ 2.71Å; E322-R344 IonicContact OE2-NE 3.16Å; E322-R344 PolarHBondContact OE2-NE 2.99Å; E322-R344 IonicContact OE2-NH2 3.81Å; E322-R344 PolarHBondContact OE2-NH2 2.86Å; E322-D348 WeakPolarHBondContact CA-O 3.35Å; E322-K349 HydrophobicContact CG-CD 4.01Å; E322-K349 HydrophobicContact CG-CG 4.07Å; E322-K349 IonicContact OE1-NZ 3.23Å; E322-K349 PolarHBondContact OE1-NZ 2.88Å
323	D	87.2	Confident	85.2	Confident	39 Å²	39	38.9 Å²	38.9	21%	0.209	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	138.9	168.2	-169.8	8.4	0	0	0	110.6	G325 G327 F329 R344 D348	D323-G325 PolarHBondContact OD1-N 2.99Å; D323-G327 PolarHBondContact OD1-N 3.09Å; D323-F329 HydrophobicContact CB-CE1 4.21Å; D323-F329 HydrophobicContact CB-CZ 4.22Å; D323-R344 PolarHBondContact O-NH2 3.47Å; D323-D348 PolarHBondContact N-O 3.05Å
324	D	78.6	Confident	84.3	Confident	64 Å²	64	38.9 Å²	38.9	34%	0.342	23%	0.232	S	C	.	.			trans	-95.9	1.2	173.9	64.9	18.4	0	0	0	112.9	E322 K326 T328	E322-D324 PolarHBondContact O-N 2.89Å; D324-K326 VanDerWaalsContact C-N 3.35Å; D324-K326 WeakPolarHBondContact OD1-CA 3.24Å; D324-K326 VanDerWaalsContact OD1-CB 3.26Å; D324-K326 WeakPolarHBondContact OD1-CB 3.14Å; D324-K326 PolarHBondContact OD1-N 3.11Å; D324-T328 VanDerWaalsContact CG-OG1 3.23Å; D324-T328 PolarHBondContact N-O 3.45Å; D324-T328 VanDerWaalsContact N-O 3.09Å; D324-T328 PolarHBondContact OD1-OG1 3.01Å; D324-T328 VanDerWaalsContact OD1-OG1 3.04Å; D324-T328 PolarHBondContact OD2-OG1 3.01Å
325	G	70.1	Confident	83	Confident	66 Å²	66	39.9 Å²	39.9	68%	0.68	24%	0.238	S	C	*	.	S	Bend	trans	83.7	10	-179	0	0	0	0	0	113.5	D323	D323-G325 PolarHBondContact OD1-N 2.99Å
326	K	72.4	Confident	81.1	Confident	179 Å²	179	45 Å²	45	78%	0.778	26%	0.257	S	S	*	.	S	Bend	trans	-116.9	8.2	175.3	-52.3	178.9	-178.8	178.9	0	112.4	D324 T328	D324-K326 VanDerWaalsContact C-N 3.35Å; D324-K326 WeakPolarHBondContact OD1-CA 3.24Å; D324-K326 VanDerWaalsContact OD1-CB 3.26Å; D324-K326 WeakPolarHBondContact OD1-CB 3.14Å; D324-K326 PolarHBondContact OD1-N 3.11Å; K326-T328 VanDerWaalsContact C-N 3.35Å
327	G	67.4	Low	79.1	Confident	60 Å²	60	51.9 Å²	51.9	62%	0.619	29%	0.294	S	S	*	.	S	Bend	trans	82	11.8	-173.1	0	0	0	0	0	113.6	D323	D323-G327 PolarHBondContact OD1-N 3.09Å
328	T	77.2	Confident	77.5	Confident	78 Å²	78	55.7 Å²	55.7	48%	0.479	31%	0.308	S	S	.	.			trans	-114.9	130.2	178	33.3	0	0	0	0	112.2	D324 K326 S330	D324-T328 VanDerWaalsContact CG-OG1 3.23Å; D324-T328 PolarHBondContact N-O 3.45Å; D324-T328 VanDerWaalsContact N-O 3.09Å; D324-T328 PolarHBondContact OD1-OG1 3.01Å; D324-T328 VanDerWaalsContact OD1-OG1 3.04Å; D324-T328 PolarHBondContact OD2-OG1 3.01Å; K326-T328 VanDerWaalsContact C-N 3.35Å; T328-S330 PolarHBondContact O-N 2.77Å
329	F	86.6	Confident	76.3	Confident	67 Å²	67	61 Å²	61	29%	0.294	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	110.6	-177.9	-78.4	-96.5	0	0	0	110.9	R321 E322 D323 D348 K350	R321-F329 HydrophobicContact CB-CB 3.93Å; E322-F329 CarbonylContact O-C 3.57Å; E322-F329 WeakPolarHBondContact O-CA 3.3Å; D323-F329 HydrophobicContact CB-CE1 4.21Å; D323-F329 HydrophobicContact CB-CZ 4.22Å; F329-D348 HydrophobicContact CE1-CB 4.25Å; F329-D348 HydrophobicContact CZ-CB 4.23Å; F329-K350 HydrophobicContact CB-CD 4.32Å; F329-K350 HydrophobicContact CD1-CB 4.18Å; F329-K350 HydrophobicContact CD1-CD 3.79Å; F329-K350 HydrophobicContact CD1-CG 3.64Å; F329-K350 HydrophobicContact CD2-CD 3.96Å; F329-K350 HydrophobicContact CE1-CD 4.08Å; F329-K350 HydrophobicContact CE1-CG 3.76Å; F329-K350 HydrophobicContact CE2-CD 4.26Å; F329-K350 HydrophobicContact CG-CD 3.73Å; F329-K350 HydrophobicContact CG-CG 4.12Å; F329-K350 HydrophobicContact CZ-CD 4.31Å; F329-K350 HydrophobicContact CZ-CG 4.34Å
330	S	83.8	Confident	75.8	Confident	34 Å²	34	59.9 Å²	59.9	24%	0.238	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.2	-174.6	76.1	0	0	0	0	111.8	R321 E322 T328 V332	R321-S330 CarbonylContact C-O 3.59Å; R321-S330 VanDerWaalsContact CA-O 3.27Å; R321-S330 WeakPolarHBondContact CA-O 3.27Å; E322-S330 PolarHBondContact N-O 2.66Å; E322-S330 PolarHBondContact O-N 2.8Å; E322-S330 PolarHBondContact O-OG 2.88Å; T328-S330 PolarHBondContact O-N 2.77Å; S330-V332 PolarHBondContact O-N 2.88Å
331	A	84.4	Confident	75.5	Confident	21 Å²	21	59.9 Å²	59.9	17%	0.174	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	133.1	-178.7	0	0	0	0	0	112.7	E319 R321 K467	E319-A331 HydrophobicContact CG-CB 4.37Å; E319-A331 WeakPolarHBondContact OE1-CB 3.4Å; R321-A331 HydrophobicContact CG-CB 4.42Å; A331-K467 HydrophobicContact CB-CD 4.23Å; A331-K467 WeakPolarHBondContact O-CE 3.3Å; A331-K467 PolarHBondContact O-NZ 2.82Å
332	V	84.5	Confident	75.2	Confident	9 Å²	9	57.8 Å²	57.8	6%	0.055	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-65.7	146.8	-176	168.8	0	0	0	0	112	I320 E322 S330 F341 K342 L343	I320-V332 HydrophobicContact CB-CB 4.28Å; I320-V332 HydrophobicContact CB-CG2 3.99Å; I320-V332 HydrophobicContact CG2-CG2 3.9Å; I320-V332 WeakPolarHBondContact O-CB 3.45Å; I320-V332 WeakPolarHBondContact O-CG2 3.2Å; I320-V332 PolarHBondContact O-N 2.81Å; E322-V332 HydrophobicContact CG-CG2 3.68Å; S330-V332 PolarHBondContact O-N 2.88Å; V332-F341 HydrophobicContact CB-CD1 4.41Å; V332-F341 HydrophobicContact CG1-CB 4.11Å; V332-F341 HydrophobicContact CG1-CD1 3.92Å; V332-F341 HydrophobicContact CG1-CG 4.49Å; V332-K342 WeakPolarHBondContact CG1-O 3.42Å; V332-L343 HydrophobicContact CG1-CD2 3.95Å; V332-L343 HydrophobicContact CG2-CD2 3.85Å
333	A	71	Confident	75.1	Confident	18 Å²	18	57.5 Å²	57.5	15%	0.149	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-77.1	125.5	172.5	0	0	0	0	0	111.2	K342 F465	A333-K342 PolarHBondContact O-N 3.28Å; A333-F465 HydrophobicContact CB-CB 4.35Å
334	K	70.8	Confident	75	Confident	17 Å²	17	58.3 Å²	58.3	7%	0.074	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-94.2	134.5	170.4	-158	-177.7	-168.9	-167	0	109.6	Q339 S340 F341 F465	K334-Q339 WeakPolarHBondContact CE-O 3.49Å; K334-Q339 VanDerWaalsContact CE-OE1 3.26Å; K334-S340 CarbonylContact C-O 3.28Å; K334-S340 WeakPolarHBondContact CA-O 3.44Å; K334-F341 HydrophobicContact CB-CD1 4.49Å; K334-F341 HydrophobicContact CG-CD1 4.43Å; K334-F465 WeakPolarHBondContact O-CB 3.33Å
335	D	66.9	Low	75.4	Confident	22 Å²	22	56.3 Å²	56.3	12%	0.118	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-66	131.7	171.5	-154.2	-50.6	0	0	0	109.9	D337 Q339 S340 K342	D335-D337 PolarHBondContact OD1-N 2.9Å; D335-D337 VanDerWaalsContact OD1-N 3.15Å; D335-Q339 WeakPolarHBondContact O-CA 3.32Å; D335-Q339 PolarHBondContact O-N 2.8Å; D335-S340 PolarHBondContact N-O 2.77Å; D335-K342 WeakPolarHBondContact OD2-CE 3.16Å; D335-K342 IonicContact OD2-NZ 3.57Å; D335-K342 PolarHBondContact OD2-NZ 2.88Å
336	K	54.3	Low	75.9	Confident	140 Å²	140	55.7 Å²	55.7	61%	0.609	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-39.6	-178.7	-82	-172	173.3	-177.2	0	111.5
337	D	53.4	Low	76.5	Confident	145 Å²	145	49.6 Å²	49.6	78%	0.775	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-21.2	-163.4	-49.4	-30.5	0	0	0	110.9	D335	D335-D337 PolarHBondContact OD1-N 2.9Å; D335-D337 VanDerWaalsContact OD1-N 3.15Å
338	K	59.7	Low	77.5	Confident	100 Å²	100	49.9 Å²	49.9	44%	0.435	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	3.4	179.6	-59.3	-158.1	172.6	-154.9	0	115.4	S340	K338-S340 PolarHBondContact O-N 2.82Å
339	Q	68	Low	78.2	Confident	112 Å²	112	46.3 Å²	46.3	52%	0.523	25%	0.247	S	C	.	.			trans	53.3	22.7	179.4	-64.9	-71.4	-16.4	0	0	115	K334 D335	K334-Q339 WeakPolarHBondContact CE-O 3.49Å; K334-Q339 VanDerWaalsContact CE-OE1 3.26Å; D335-Q339 WeakPolarHBondContact O-CA 3.32Å; D335-Q339 PolarHBondContact O-N 2.8Å
340	S	82	Confident	78.5	Confident	4 Å²	4	45.2 Å²	45.2	3%	0.028	24%	0.242	C	C	.	.			trans	-99.1	142.4	-174.2	54.2	0	0	0	0	113.2	K334 D335 K338 R451	K334-S340 CarbonylContact C-O 3.28Å; K334-S340 WeakPolarHBondContact CA-O 3.44Å; D335-S340 PolarHBondContact N-O 2.77Å; K338-S340 PolarHBondContact O-N 2.82Å; S340-R451 CarbonylContact C-O 3.5Å; S340-R451 WeakPolarHBondContact CA-O 3.38Å
341	F	86.8	Confident	79	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.009	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	132.6	169.4	-70.6	-69.9	0	0	0	110.6	L318 I320 V332 K334 L343 T450 R451 V452 R453	L318-F341 HydrophobicContact CG-CE2 4.5Å; I320-F341 HydrophobicContact CD1-CB 4.06Å; I320-F341 HydrophobicContact CD1-CD1 4.17Å; I320-F341 HydrophobicContact CD1-CD2 3.59Å; I320-F341 HydrophobicContact CD1-CE2 3.96Å; I320-F341 HydrophobicContact CD1-CG 3.69Å; I320-F341 HydrophobicContact CD1-CZ 4.4Å; I320-F341 HydrophobicContact CG1-CD1 4.46Å; I320-F341 HydrophobicContact CG1-CD2 4.37Å; I320-F341 HydrophobicContact CG1-CE1 4.41Å; I320-F341 HydrophobicContact CG1-CE2 4.29Å; I320-F341 HydrophobicContact CG1-CG 4.44Å; I320-F341 HydrophobicContact CG1-CZ 4.31Å; V332-F341 HydrophobicContact CB-CD1 4.41Å; V332-F341 HydrophobicContact CG1-CB 4.11Å; V332-F341 HydrophobicContact CG1-CD1 3.92Å; V332-F341 HydrophobicContact CG1-CG 4.49Å; K334-F341 HydrophobicContact CB-CD1 4.49Å; K334-F341 HydrophobicContact CG-CD1 4.43Å; F341-L343 HydrophobicContact CB-CD2 4.46Å; F341-T450 HydrophobicContact CE2-CG2 4.07Å; F341-R451 PolarHBondContact N-O 3.49Å; F341-V452 HydrophobicContact CB-CG2 4.5Å; F341-R453 PolarHBondContact O-N 3.35Å
342	K	84.7	Confident	79.4	Confident	31 Å²	31	42.7 Å²	42.7	14%	0.135	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	94.8	175.6	-68.3	179.9	-179.3	171.1	0	110.3	V332 A333 D335 R453 F462	V332-K342 WeakPolarHBondContact CG1-O 3.42Å; A333-K342 PolarHBondContact O-N 3.28Å; D335-K342 WeakPolarHBondContact OD2-CE 3.16Å; D335-K342 IonicContact OD2-NZ 3.57Å; D335-K342 PolarHBondContact OD2-NZ 2.88Å; K342-R453 CarbonylContact C-O 3.6Å; K342-R453 WeakPolarHBondContact CA-O 3.39Å; K342-F462 HydrophobicContact CB-CE1 4.12Å
343	L	87.8	Confident	79.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	153.7	178.9	-55.8	-176.5	0	0	0	111	I320 E322 V332 F341 K349 W407 V452 R453 V454 C455	I320-L343 HydrophobicContact CD1-CD2 4.13Å; I320-L343 HydrophobicContact CG2-CD2 3.89Å; E322-L343 WeakPolarHBondContact OE1-CA 3.47Å; V332-L343 HydrophobicContact CG1-CD2 3.95Å; V332-L343 HydrophobicContact CG2-CD2 3.85Å; F341-L343 HydrophobicContact CB-CD2 4.46Å; L343-K349 HydrophobicContact CD1-CD 4.33Å; L343-K349 HydrophobicContact CD2-CD 4.28Å; L343-W407 HydrophobicContact CD1-CH2 3.46Å; L343-W407 VanDerWaalsContact CD1-CH2 3.46Å; L343-W407 HydrophobicContact CD1-CZ3 3.83Å; L343-V452 HydrophobicContact CD1-CG1 3.59Å; L343-V452 HydrophobicContact CG-CG1 3.98Å; L343-R453 PolarHBondContact N-O 3.08Å; L343-V454 CarbonylContact O-C 3.53Å; L343-V454 WeakPolarHBondContact O-CA 3.34Å; L343-C455 PolarHBondContact O-N 2.95Å
344	R	85.7	Confident	81	Confident	55 Å²	55	44.1 Å²	44.1	21%	0.208	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.9	170.6	-69.7	171.3	-69.9	152.8	9.2	109.2	E322 D323 L347 K349 F462	E322-R344 VanDerWaalsContact CB-NH2 3.26Å; E322-R344 PolarHBondContact OE1-N 2.88Å; E322-R344 IonicContact OE2-CZ 2.71Å; E322-R344 IonicContact OE2-NE 3.16Å; E322-R344 PolarHBondContact OE2-NE 2.99Å; E322-R344 IonicContact OE2-NH2 3.81Å; E322-R344 PolarHBondContact OE2-NH2 2.86Å; D323-R344 PolarHBondContact O-NH2 3.47Å; R344-L347 HydrophobicContact CB-CD1 3.83Å; R344-L347 HydrophobicContact CB-CG 4.33Å; R344-L347 VanDerWaalsContact NH1-CD1 3.33Å; R344-K349 PolarHBondContact O-NZ 2.89Å; R344-F462 HydrophobicContact CG-CE1 4.12Å; R344-F462 HydrophobicContact CG-CE2 3.94Å; R344-F462 HydrophobicContact CG-CZ 3.51Å
345	A	85.6	Confident	82.1	Confident	22 Å²	22	43.3 Å²	43.3	18%	0.182	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	139.3	176.5	0	0	0	0	0	111.5	L347 N418 V454 C455 P457	A345-L347 PolarHBondContact O-N 2.86Å; A345-N418 WeakPolarHBondContact CB-O 3.45Å; A345-V454 HydrophobicContact CB-CG1 3.82Å; A345-C455 PolarHBondContact N-O 2.64Å; A345-P457 WeakPolarHBondContact O-CG 3.29Å
346	G	81.4	Confident	83.4	Confident	54 Å²	54	46 Å²	46	56%	0.557	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.8	16.5	168.3	0	0	0	0	0	117
347	L	85.6	Confident	85.1	Confident	51 Å²	51	41 Å²	41	27%	0.267	21%	0.212	S	C	.	.			trans	-108.9	138.5	171.5	-62.5	-176.9	0	0	0	111.5	R344 A345 K349	R344-L347 HydrophobicContact CB-CD1 3.83Å; R344-L347 HydrophobicContact CB-CG 4.33Å; R344-L347 VanDerWaalsContact NH1-CD1 3.33Å; A345-L347 PolarHBondContact O-N 2.86Å; L347-K349 WeakPolarHBondContact O-CG 3.46Å; L347-K349 PolarHBondContact O-NZ 2.84Å
348	D	88	Confident	86.6	Confident	66 Å²	66	37.6 Å²	37.6	35%	0.353	20%	0.196	S	C	.	.			trans	-55.7	140.2	170.6	-76.1	-67.7	0	0	0	112.4	E322 D323 F329 N408 P409	E322-D348 WeakPolarHBondContact CA-O 3.35Å; D323-D348 PolarHBondContact N-O 3.05Å; F329-D348 HydrophobicContact CE1-CB 4.25Å; F329-D348 HydrophobicContact CZ-CB 4.23Å; D348-N408 WeakPolarHBondContact OD1-CA 3.35Å; D348-P409 WeakPolarHBondContact OD1-CD 3.4Å
349	K	91.2	Very high	87.6	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	160.4	-174.4	-40.6	-162.2	-167	-56.8	0	111.3	R321 E322 L343 R344 L347 W407	R321-K349 CarbonylContact O-C 3.55Å; R321-K349 WeakPolarHBondContact O-CA 3.48Å; R321-K349 WeakPolarHBondContact O-CB 3.31Å; E322-K349 HydrophobicContact CG-CD 4.01Å; E322-K349 HydrophobicContact CG-CG 4.07Å; E322-K349 IonicContact OE1-NZ 3.23Å; E322-K349 PolarHBondContact OE1-NZ 2.88Å; L343-K349 HydrophobicContact CD1-CD 4.33Å; L343-K349 HydrophobicContact CD2-CD 4.28Å; R344-K349 PolarHBondContact O-NZ 2.89Å; L347-K349 WeakPolarHBondContact O-CG 3.46Å; L347-K349 PolarHBondContact O-NZ 2.84Å; K349-W407 HydrophobicContact CB-CB 4.19Å; K349-W407 HydrophobicContact CB-CD2 4.09Å; K349-W407 HydrophobicContact CB-CE3 3.85Å; K349-W407 HydrophobicContact CB-CG 4.3Å; K349-W407 HydrophobicContact CD-CD2 4.11Å; K349-W407 HydrophobicContact CD-CE3 3.75Å; K349-W407 HydrophobicContact CD-CH2 3.9Å; K349-W407 HydrophobicContact CD-CZ2 4.2Å; K349-W407 HydrophobicContact CD-CZ3 3.67Å; K349-W407 HydrophobicContact CG-CD2 4.26Å; K349-W407 HydrophobicContact CG-CE3 4.18Å; K349-W407 PolarHBondContact N-O 2.87Å; K349-W407 PolarHBondContact O-N 3.45Å
350	K	93	Very high	88.1	Confident	45 Å²	45	32.1 Å²	32.1	20%	0.196	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.2	170	-68.4	-177.7	179.5	-152.5	0	109.6	R321 F329 E390 T404 G405	R321-K350 HydrophobicContact CB-CB 4.49Å; R321-K350 PolarHBondContact N-O 3.11Å; R321-K350 PolarHBondContact O-N 2.79Å; F329-K350 HydrophobicContact CB-CD 4.32Å; F329-K350 HydrophobicContact CD1-CB 4.18Å; F329-K350 HydrophobicContact CD1-CD 3.79Å; F329-K350 HydrophobicContact CD1-CG 3.64Å; F329-K350 HydrophobicContact CD2-CD 3.96Å; F329-K350 HydrophobicContact CE1-CD 4.08Å; F329-K350 HydrophobicContact CE1-CG 3.76Å; F329-K350 HydrophobicContact CE2-CD 4.26Å; F329-K350 HydrophobicContact CG-CD 3.73Å; F329-K350 HydrophobicContact CG-CG 4.12Å; F329-K350 HydrophobicContact CZ-CD 4.31Å; F329-K350 HydrophobicContact CZ-CG 4.34Å; K350-E390 VanDerWaalsContact CD-OE2 3.32Å; K350-E390 WeakPolarHBondContact CD-OE2 3.49Å; K350-E390 WeakPolarHBondContact CE-OE1 3.11Å; K350-E390 VanDerWaalsContact CE-OE2 3.23Å; K350-E390 WeakPolarHBondContact CE-OE2 3.33Å; K350-E390 IonicContact NZ-OE1 2.77Å; K350-E390 PolarHBondContact NZ-OE1 3.08Å; K350-E390 IonicContact NZ-OE2 3.21Å; K350-E390 PolarHBondContact NZ-OE2 2.92Å; K350-T404 HydrophobicContact CB-CG2 4.27Å; K350-T404 HydrophobicContact CD-CG2 4.32Å; K350-G405 WeakPolarHBondContact CA-O 3.46Å
351	I	93.6	Very high	87.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	117.6	170.9	-63.3	-57.4	0	0	0	106.8	L318 I320 I353 L371 L387 T404 G405 W407 T431	L318-I351 HydrophobicContact CD1-CD1 4.23Å; L318-I351 HydrophobicContact CD1-CG2 3.75Å; I320-I351 HydrophobicContact CB-CD1 4.47Å; I320-I351 HydrophobicContact CD1-CD1 4.5Å; I320-I351 HydrophobicContact CG1-CD1 3.92Å; I320-I351 HydrophobicContact CG2-CD1 4.16Å; I351-I353 HydrophobicContact CG2-CD1 3.89Å; I351-I353 HydrophobicContact CG2-CG1 4.24Å; I351-L371 HydrophobicContact CB-CD2 4.25Å; I351-L371 HydrophobicContact CG2-CD1 4.15Å; I351-L371 HydrophobicContact CG2-CD2 4.01Å; I351-L371 HydrophobicContact CG2-CG 4.38Å; I351-L387 HydrophobicContact CB-CD1 3.9Å; I351-L387 HydrophobicContact CG1-CD1 3.54Å; I351-T404 WeakPolarHBondContact O-CA 3.45Å; I351-G405 PolarHBondContact N-O 3.2Å; I351-G405 PolarHBondContact O-N 2.97Å; I351-W407 HydrophobicContact CD1-CE3 3.97Å; I351-W407 HydrophobicContact CD1-CZ3 4.36Å; I351-W407 HydrophobicContact CG1-CE3 4.35Å; I351-T431 HydrophobicContact CG2-CG2 3.92Å
352	V	94.3	Very high	87.6	Confident	2 Å²	2	42 Å²	42	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116.9	175.6	-171.6	0	0	0	0	108.3	E319 Y354 I402 I403 T404	E319-V352 HydrophobicContact CB-CB 4.35Å; E319-V352 PolarHBondContact N-O 3.45Å; E319-V352 PolarHBondContact O-N 2.89Å; V352-Y354 HydrophobicContact CB-CE2 4.25Å; V352-Y354 HydrophobicContact CG1-CD2 4.28Å; V352-Y354 HydrophobicContact CG1-CE1 4.28Å; V352-Y354 HydrophobicContact CG1-CE2 3.65Å; V352-I402 HydrophobicContact CG1-CG2 3.71Å; V352-I403 CarbonylContact C-O 3.4Å; V352-I403 WeakPolarHBondContact CA-O 3.35Å; V352-T404 HydrophobicContact CG2-CG2 4.05Å
353	I	95.3	Very high	87.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.1	172.8	-49.5	-59.4	0	0	0	109.6	V316 S317 L318 I351 I355 L371 I402 I403 T431 V433 L448	V316-I353 HydrophobicContact CG1-CG2 3.52Å; S317-I353 CarbonylContact O-C 3.57Å; S317-I353 VanDerWaalsContact O-CA 3.28Å; S317-I353 WeakPolarHBondContact O-CA 3.38Å; L318-I353 HydrophobicContact CB-CD1 3.87Å; L318-I353 HydrophobicContact CD1-CD1 3.68Å; L318-I353 HydrophobicContact CG-CD1 4.32Å; I351-I353 HydrophobicContact CG2-CD1 3.89Å; I351-I353 HydrophobicContact CG2-CG1 4.24Å; I353-I355 HydrophobicContact CG2-CD1 4.09Å; I353-I355 HydrophobicContact CG2-CG1 3.75Å; I353-L371 HydrophobicContact CD1-CD1 4.36Å; I353-L371 HydrophobicContact CG1-CD1 3.61Å; I353-I402 CarbonylContact O-C 3.59Å; I353-I402 WeakPolarHBondContact O-CA 3.49Å; I353-I403 HydrophobicContact CB-CB 4.34Å; I353-I403 PolarHBondContact N-O 2.99Å; I353-I403 PolarHBondContact O-N 2.96Å; I353-T431 HydrophobicContact CD1-CG2 4.14Å; I353-V433 HydrophobicContact CG2-CG1 4.25Å; I353-L448 HydrophobicContact CD1-CD1 4.41Å
354	Y	94	Very high	87.4	Confident	56 Å²	56	42.8 Å²	42.8	22%	0.22	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127	170.8	-53.6	-99.4	0	0	0	109	V316 S317 E319 R321 V352 Y401 I402	V316-Y354 CarbonylContact C-O 3.53Å; V316-Y354 VanDerWaalsContact CA-O 3.32Å; V316-Y354 WeakPolarHBondContact CA-O 3.35Å; S317-Y354 PolarHBondContact N-O 3.06Å; S317-Y354 PolarHBondContact O-N 2.73Å; E319-Y354 HydrophobicContact CB-CE2 3.94Å; E319-Y354 WeakPolarHBondContact OE2-CE2 3.36Å; E319-Y354 PolarHBondContact OE2-OH 2.84Å; R321-Y354 PolarHBondContact NH2-OH 2.79Å; V352-Y354 HydrophobicContact CB-CE2 4.25Å; V352-Y354 HydrophobicContact CG1-CD2 4.28Å; V352-Y354 HydrophobicContact CG1-CE1 4.28Å; V352-Y354 HydrophobicContact CG1-CE2 3.65Å; Y354-Y401 CarbonylContact C-O 3.5Å; Y354-Y401 VanDerWaalsContact CA-O 3.32Å; Y354-Y401 WeakPolarHBondContact CA-O 3.46Å; Y354-I402 HydrophobicContact CD1-CD1 4.21Å; Y354-I402 HydrophobicContact CD1-CG1 3.88Å; Y354-I402 HydrophobicContact CD1-CG2 4.2Å; Y354-I402 HydrophobicContact CE1-CD1 4.04Å; Y354-I402 HydrophobicContact CE1-CG1 4.15Å; Y354-I402 HydrophobicContact CE1-CG2 4.03Å
355	I	93.8	Very high	87.5	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	113.2	-176.1	-52.8	-169.2	0	0	0	109.3	F314 V316 I353 I365 S400 Y401 I403 V433 L435	F314-I355 HydrophobicContact CD1-CG2 4.15Å; V316-I355 HydrophobicContact CG1-CG1 4.22Å; V316-I355 HydrophobicContact CG2-CG1 4.44Å; V316-I355 HydrophobicContact CG2-CG2 4.28Å; I353-I355 HydrophobicContact CG2-CD1 4.09Å; I353-I355 HydrophobicContact CG2-CG1 3.75Å; I355-I365 HydrophobicContact CB-CD1 4.25Å; I355-I365 HydrophobicContact CG2-CD1 3.69Å; I355-S400 CarbonylContact O-C 3.5Å; I355-S400 WeakPolarHBondContact O-CA 3.37Å; I355-Y401 PolarHBondContact N-O 3.26Å; I355-Y401 PolarHBondContact O-N 3.05Å; I355-I403 HydrophobicContact CD1-CD1 3.67Å; I355-I403 HydrophobicContact CG1-CD1 4.34Å; I355-V433 HydrophobicContact CD1-CG1 3.96Å; I355-V433 HydrophobicContact CD1-CG2 4.36Å; I355-L435 HydrophobicContact CD1-CD1 3.47Å; I355-L435 VanDerWaalsContact CD1-CD1 3.47Å; I355-L435 HydrophobicContact CD1-CD2 4.22Å; I355-L435 HydrophobicContact CD1-CG 4.29Å; I355-L435 HydrophobicContact CG2-CD1 4.44Å
356	Q	92.6	Very high	87.1	Confident	79 Å²	79	40.5 Å²	40.5	37%	0.369	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.4	179.8	176	170.8	-1.7	0	0	110.1	F314 T315 T358	F314-Q356 CarbonylContact C-O 3.55Å; F314-Q356 WeakPolarHBondContact CA-O 3.42Å; T315-Q356 PolarHBondContact N-O 2.87Å; T315-Q356 PolarHBondContact O-N 3.32Å; Q356-T358 HydrophobicContact CG-CG2 4.1Å
357	Q	90.6	Very high	87.1	Confident	35 Å²	35	42.5 Å²	42.5	16%	0.164	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135.9	167.2	-163	-179.4	-33.2	0	0	109.7	T313 F314 S359 K361	T313-Q357 CarbonylContact O-C 3.55Å; T313-Q357 WeakPolarHBondContact O-CA 3.22Å; T313-Q357 WeakPolarHBondContact O-CG 3.49Å; F314-Q357 HydrophobicContact CD1-CB 3.91Å; F314-Q357 HydrophobicContact CD1-CG 4.09Å; F314-Q357 HydrophobicContact CE1-CB 3.77Å; F314-Q357 HydrophobicContact CE1-CG 3.79Å; F314-Q357 HydrophobicContact CE2-CG 4.45Å; F314-Q357 HydrophobicContact CZ-CB 4.46Å; F314-Q357 HydrophobicContact CZ-CG 3.99Å; Q357-S359 PolarHBondContact NE2-O 2.92Å; Q357-K361 PolarHBondContact NE2-O 2.82Å
358	T	84.6	Confident	87.2	Confident	72 Å²	72	40.2 Å²	40.2	44%	0.442	20%	0.201	S	C	.	.			trans	-122	-8.2	-172.1	53.1	0	0	0	0	114.3	T313 T315 Q356	T313-T358 WeakPolarHBondContact CB-OG1 3.14Å; T313-T358 WeakPolarHBondContact CG2-OG1 3.3Å; T313-T358 PolarHBondContact O-N 2.93Å; T313-T358 PolarHBondContact O-OG1 2.88Å; T315-T358 WeakPolarHBondContact OG1-CG2 3.36Å; Q356-T358 HydrophobicContact CG-CG2 4.1Å
359	S	81.5	Confident	86.9	Confident	41 Å²	41	41 Å²	41	29%	0.287	20%	0.201	S	C	.	.	S	Bend	trans	-145.3	165.2	176.3	74.9	0	0	0	0	112.3	T313 Q357	T313-S359 WeakPolarHBondContact CB-OG 3.49Å; T313-S359 PolarHBondContact N-OG 2.88Å; T313-S359 PolarHBondContact OG1-OG 3.18Å; Q357-S359 PolarHBondContact NE2-O 2.92Å
360	N	78	Confident	86.6	Confident	57 Å²	57	41 Å²	41	31%	0.305	20%	0.203	S	C	.	.	S	Bend	trans	63.8	-174.8	175.7	-148.4	-23.3	0	0	0	114.5	S309 L311 F312 E362	S309-N360 PolarHBondContact O-ND2 3.05Å; L311-N360 PolarHBondContact O-ND2 2.75Å; F312-N360 HydrophobicContact CD1-CB 3.71Å; F312-N360 HydrophobicContact CE1-CB 3.91Å; F312-N360 HydrophobicContact CG-CB 4.18Å; N360-E362 PolarHBondContact O-N 2.83Å
361	K	78.8	Confident	86.6	Confident	95 Å²	95	39 Å²	39	41%	0.413	19%	0.194	S	C	.	.	S	Bend	trans	-58.5	128.8	173.7	176.2	-169	171	-172	0	109.9	F312 Q357 L363 E439	F312-K361 HydrophobicContact CE1-CB 4.43Å; F312-K361 WeakPolarHBondContact CE1-O 3.35Å; Q357-K361 PolarHBondContact NE2-O 2.82Å; K361-L363 PolarHBondContact O-N 3.05Å; K361-E439 IonicContact NZ-OE1 2.65Å; K361-E439 PolarHBondContact NZ-OE1 2.91Å; K361-E439 IonicContact NZ-OE2 2.74Å; K361-E439 PolarHBondContact NZ-OE2 2.9Å
362	E	80.4	Confident	86.6	Confident	119 Å²	119	39.8 Å²	39.8	56%	0.556	20%	0.198	S	C	*	.			trans	-59.2	121	176.6	-172.9	178.2	-173	0	0	111.1	N360 K394	N360-E362 PolarHBondContact O-N 2.83Å; E362-K394 IonicContact OE1-NZ 3.53Å; E362-K394 PolarHBondContact OE1-NZ 3.1Å
363	L	85.9	Confident	86.5	Confident	5 Å²	5	39.7 Å²	39.7	3%	0.026	20%	0.198	C	C	.	.			trans	-97.6	113.8	172.5	-58	178.9	0	0	0	108.1	F312 F314 K361 I365 I437 V440 L478	F312-L363 HydrophobicContact CD1-CD1 3.49Å; F312-L363 VanDerWaalsContact CD1-CD1 3.49Å; F312-L363 HydrophobicContact CD1-CD2 4.36Å; F312-L363 HydrophobicContact CD1-CG 3.73Å; F312-L363 HydrophobicContact CE1-CD1 3.75Å; F312-L363 HydrophobicContact CE1-CD2 3.84Å; F312-L363 HydrophobicContact CE1-CG 3.73Å; F312-L363 HydrophobicContact CG-CD1 3.97Å; F312-L363 HydrophobicContact CZ-CD1 4.42Å; F312-L363 HydrophobicContact CZ-CD2 4.47Å; F314-L363 HydrophobicContact CZ-CD1 4.36Å; K361-L363 PolarHBondContact O-N 3.05Å; L363-I365 PolarHBondContact O-N 3.31Å; L363-I437 HydrophobicContact CB-CG2 3.49Å; L363-I437 VanDerWaalsContact CB-CG2 3.49Å; L363-I437 HydrophobicContact CD1-CG2 4.12Å; L363-I437 HydrophobicContact CG-CG2 4.41Å; L363-V440 HydrophobicContact CD1-CG2 4.31Å; L363-L478 HydrophobicContact CD1-CD1 3.62Å
364	A	82.4	Confident	86.4	Confident	42 Å²	42	39.9 Å²	39.9	35%	0.347	20%	0.199	S	C	.	.			trans	-66.7	132	179.5	0	0	0	0	0	110.6	T438	A364-T438 PolarHBondContact O-N 2.73Å; A364-T438 PolarHBondContact O-OG1 3.03Å; A364-T438 VanDerWaalsContact O-OG1 3.05Å
365	I	86.5	Confident	86.2	Confident	8 Å²	8	39.1 Å²	39.1	4%	0.041	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.6	172.9	-55.2	170.5	0	0	0	106.8	I355 L363 M392 Y401 L435 I437	I355-I365 HydrophobicContact CB-CD1 4.25Å; I355-I365 HydrophobicContact CG2-CD1 3.69Å; L363-I365 PolarHBondContact O-N 3.31Å; I365-M392 HydrophobicContact CB-CE 4.22Å; I365-M392 HydrophobicContact CG2-CE 3.62Å; I365-Y401 HydrophobicContact CB-CD1 4.16Å; I365-Y401 HydrophobicContact CB-CD2 4.13Å; I365-Y401 HydrophobicContact CB-CE1 3.93Å; I365-Y401 HydrophobicContact CB-CE2 3.91Å; I365-Y401 HydrophobicContact CB-CG 4.22Å; I365-Y401 HydrophobicContact CD1-CD2 3.64Å; I365-Y401 HydrophobicContact CD1-CE2 4.04Å; I365-Y401 HydrophobicContact CD1-CG 4.05Å; I365-Y401 HydrophobicContact CG1-CD2 4.1Å; I365-Y401 HydrophobicContact CG1-CE2 3.99Å; I365-Y401 PolarHBondContact N-OH 3.06Å; I365-Y401 VanDerWaalsContact O-CE1 3.22Å; I365-Y401 WeakPolarHBondContact O-CE1 3.2Å; I365-Y401 PolarHBondContact O-OH 3.24Å; I365-Y401 VanDerWaalsContact O-OH 3.14Å; I365-L435 HydrophobicContact CD1-CD1 3.9Å; I365-L435 HydrophobicContact CG1-CD1 4.39Å; I365-L435 HydrophobicContact CG2-CB 4.17Å; I365-L435 HydrophobicContact CG2-CD1 3.92Å; I365-L435 HydrophobicContact CG2-CD2 4.08Å; I365-L435 HydrophobicContact CG2-CG 4.29Å; I365-I437 HydrophobicContact CG1-CG1 4.43Å
366	E	78.6	Confident	85.7	Confident	20 Å²	20	40.4 Å²	40.4	9%	0.093	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-32.4	-167.3	-57.9	177.9	153.2	0	0	113.4	R290 V436 T438	R290-E366 VanDerWaalsContact CB-OE1 3.29Å; R290-E366 WeakPolarHBondContact CB-OE1 3.39Å; R290-E366 VanDerWaalsContact CD-OE1 3.31Å; R290-E366 WeakPolarHBondContact CD-OE1 3.5Å; R290-E366 WeakPolarHBondContact CG-OE1 3.35Å; R290-E366 IonicContact CZ-OE1 3.64Å; R290-E366 IonicContact CZ-OE2 2.71Å; R290-E366 VanDerWaalsContact CZ-OE2 3.24Å; R290-E366 IonicContact NE-OE1 3.78Å; R290-E366 PolarHBondContact NE-OE1 2.86Å; R290-E366 IonicContact NE-OE2 3.34Å; R290-E366 PolarHBondContact NE-OE2 3.37Å; R290-E366 IonicContact NH2-OE1 2.72Å; R290-E366 IonicContact NH2-OE2 3.12Å; R290-E366 PolarHBondContact NH2-OE2 3.12Å; E366-V436 PolarHBondContact N-O 2.98Å; E366-V436 VanDerWaalsContact OE2-CG1 3.29Å; E366-V436 WeakPolarHBondContact OE2-CG1 3.47Å; E366-T438 VanDerWaalsContact CD-OG1 3.26Å; E366-T438 WeakPolarHBondContact CG-OG1 3.34Å; E366-T438 VanDerWaalsContact OE1-CA 3.25Å; E366-T438 WeakPolarHBondContact OE1-CA 3.5Å; E366-T438 VanDerWaalsContact OE1-CB 3.3Å; E366-T438 WeakPolarHBondContact OE1-CB 3.32Å; E366-T438 WeakPolarHBondContact OE1-CG2 3.29Å; E366-T438 PolarHBondContact OE1-OG1 2.58Å
367	R	81.2	Confident	85.3	Confident	96 Å²	96	41.9 Å²	41.9	36%	0.362	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	145.2	175.9	56.5	-174.4	-173.6	107.2	3.7	110.1	V436	R367-V436 HydrophobicContact CG-CB 3.94Å; R367-V436 HydrophobicContact CG-CG2 4.05Å; R367-V436 PolarHBondContact O-N 3.13Å
368	C	86.9	Confident	84.8	Confident	4 Å²	4	47.3 Å²	47.3	3%	0.027	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	133.5	154.3	-178.3	0	0	0	0	107.7	G370 L389 M392 I403 D434 L435	C368-G370 PolarHBondContact SG-O 3.2Å; C368-G370 VanDerWaalsContact SG-O 3.35Å; C368-L389 HydrophobicContact CB-CD2 4.3Å; C368-M392 HydrophobicContact CB-CG 4.14Å; C368-I403 HydrophobicContact CB-CD1 4.04Å; C368-I403 HydrophobicContact CB-CG1 4.37Å; C368-I403 HydrophobicContact CB-CG2 4.07Å; C368-D434 CarbonylContact C-O 3.56Å; C368-D434 WeakPolarHBondContact CA-O 3.32Å; C368-L435 HydrophobicContact CB-CD2 4.03Å
369	F	82.1	Confident	84.7	Confident	81 Å²	81	45.2 Å²	45.2	36%	0.355	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	-6.5	175.6	74.2	-87.2	0	0	0	113.9	D434 V436 P443	F369-D434 HydrophobicContact CD1-CB 3.93Å; F369-D434 VanDerWaalsContact CD1-O 3.27Å; F369-D434 WeakPolarHBondContact CD1-O 3.45Å; F369-D434 HydrophobicContact CD2-CB 4.27Å; F369-D434 HydrophobicContact CE1-CB 3.63Å; F369-D434 HydrophobicContact CE2-CB 3.97Å; F369-D434 HydrophobicContact CG-CB 4.27Å; F369-D434 HydrophobicContact CZ-CB 3.66Å; F369-D434 PolarHBondContact N-O 3.32Å; F369-V436 HydrophobicContact CD1-CG2 3.7Å; F369-V436 HydrophobicContact CE1-CG2 3.94Å; F369-P443 HydrophobicContact CE1-CB 3.43Å; F369-P443 VanDerWaalsContact CE1-CB 3.43Å; F369-P443 HydrophobicContact CE1-CG 4.45Å; F369-P443 HydrophobicContact CZ-CB 3.53Å; F369-P443 HydrophobicContact CZ-CG 4.1Å
370	G	85	Confident	84.6	Confident	4 Å²	4	50.2 Å²	50.2	4%	0.041	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	130.6	169.2	0	0	0	0	0	110.5	C368 V433 D434	C368-G370 PolarHBondContact SG-O 3.2Å; C368-G370 VanDerWaalsContact SG-O 3.35Å; G370-V433 WeakPolarHBondContact O-CA 3.1Å; G370-D434 PolarHBondContact O-N 3.14Å
371	L	93.1	Very high	84.7	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	110.4	161.6	176.6	65.6	0	0	0	105.2	I351 I353 L387 I403 T431 A432 V433	I351-L371 HydrophobicContact CB-CD2 4.25Å; I351-L371 HydrophobicContact CG2-CD1 4.15Å; I351-L371 HydrophobicContact CG2-CD2 4.01Å; I351-L371 HydrophobicContact CG2-CG 4.38Å; I353-L371 HydrophobicContact CD1-CD1 4.36Å; I353-L371 HydrophobicContact CG1-CD1 3.61Å; L371-L387 HydrophobicContact CD2-CD1 4.43Å; L371-L387 HydrophobicContact CG-CD1 4.33Å; L371-L387 WeakPolarHBondContact O-CB 3.37Å; L371-L387 PolarHBondContact O-N 3.41Å; L371-I403 HydrophobicContact CD2-CG2 4.34Å; L371-T431 HydrophobicContact CD1-CG2 4.13Å; L371-A432 CarbonylContact C-O 3.54Å; L371-A432 WeakPolarHBondContact CA-O 3.28Å; L371-V433 HydrophobicContact CD1-CB 4.04Å; L371-V433 HydrophobicContact CD1-CG2 4.22Å
372	L	93.4	Very high	84.7	Confident	17 Å²	17	53 Å²	53	9%	0.089	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	151.2	-167.8	-49.4	91.5	0	0	0	111.3	M384 H385 L386 T431 A432 D434	L372-M384 HydrophobicContact CB-CB 4.16Å; L372-M384 HydrophobicContact CB-CE 3.76Å; L372-M384 HydrophobicContact CD2-CB 4.04Å; L372-H385 CarbonylContact C-O 3.46Å; L372-H385 WeakPolarHBondContact CA-O 3.5Å; L372-H385 WeakPolarHBondContact CB-O 3.29Å; L372-L386 HydrophobicContact CG-CD1 4.28Å; L372-T431 CarbonylContact O-C 3.52Å; L372-T431 VanDerWaalsContact O-CA 3.32Å; L372-T431 WeakPolarHBondContact O-CA 3.05Å; L372-A432 HydrophobicContact CB-CB 4.29Å; L372-A432 HydrophobicContact CD1-CB 4.14Å; L372-A432 PolarHBondContact N-O 2.8Å; L372-A432 PolarHBondContact O-N 3.34Å; L372-D434 WeakPolarHBondContact CD1-OD2 3.32Å
373	L	93	Very high	84.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.4	-176.7	-164.8	69.6	0	0	0	110.6	H385 L387 W407 F414 M429 T431	L373-H385 PolarHBondContact N-O 3.23Å; L373-H385 PolarHBondContact O-N 2.83Å; L373-L387 HydrophobicContact CB-CD1 4.12Å; L373-L387 HydrophobicContact CB-CD2 4.09Å; L373-L387 HydrophobicContact CB-CG 4.08Å; L373-L387 HydrophobicContact CD2-CD1 4.44Å; L373-L387 HydrophobicContact CD2-CD2 4.26Å; L373-W407 HydrophobicContact CD2-CD2 3.56Å; L373-W407 HydrophobicContact CD2-CE3 3.6Å; L373-W407 HydrophobicContact CD2-CG 4.03Å; L373-W407 HydrophobicContact CD2-CH2 4.29Å; L373-W407 HydrophobicContact CD2-CZ2 4.3Å; L373-W407 HydrophobicContact CD2-CZ3 3.94Å; L373-F414 HydrophobicContact CB-CE1 3.83Å; L373-F414 HydrophobicContact CB-CZ 4.27Å; L373-F414 HydrophobicContact CD2-CD1 4.25Å; L373-F414 HydrophobicContact CD2-CE1 4.15Å; L373-F414 HydrophobicContact CG-CE1 4.32Å; L373-M429 HydrophobicContact CD1-CE 3.85Å; L373-M429 HydrophobicContact CD1-CG 3.79Å; L373-M429 HydrophobicContact CD1-SD 3.72Å; L373-M429 HydrophobicContact CD2-SD 4.32Å; L373-M429 HydrophobicContact CG-CG 4.31Å; L373-M429 HydrophobicContact CG-SD 4.27Å; L373-T431 HydrophobicContact CD1-CG2 4.37Å; L373-T431 WeakPolarHBondContact CD1-OG1 3.23Å
374	S	92.5	Very high	84.9	Confident	5 Å²	5	51.1 Å²	51.1	4%	0.035	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	147.4	169.7	-160.3	0	0	0	0	113.3	D383 M384 M429 T430	S374-D383 VanDerWaalsContact CB-O 3.29Å; S374-D383 WeakPolarHBondContact CB-O 3.43Å; S374-D383 PolarHBondContact OG-O 3.03Å; S374-M384 WeakPolarHBondContact CB-SD 3.49Å; S374-M429 WeakPolarHBondContact O-CA 3.21Å; S374-T430 PolarHBondContact N-O 2.76Å; S374-T430 PolarHBondContact O-N 3.44Å
375	P	89.3	Confident	85.2	Confident	40 Å²	40	51.6 Å²	51.6	26%	0.26	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	138.6	163.4	26.9	-36.7	0	0	0	112.2	A416 V417 M427	P375-A416 HydrophobicContact CB-CB 4.07Å; P375-A416 HydrophobicContact CG-CB 4.08Å; P375-V417 HydrophobicContact CB-CG1 4.1Å; P375-M427 HydrophobicContact CB-CE 3.78Å
376	G	83.6	Confident	85.3	Confident	27 Å²	27	56.3 Å²	56.3	28%	0.278	29%	0.29	S	S	.	.	S	Bend	trans	118.3	-162.2	170	0	0	0	0	0	115.4	Y428 M429 T430	G376-Y428 PolarHBondContact N-O 3.22Å; G376-Y428 CarbonylContact O-C 3.52Å; G376-Y428 VanDerWaalsContact O-C 3.28Å; G376-Y428 WeakPolarHBondContact O-CB 3.35Å; G376-M429 PolarHBondContact O-N 3.36Å; G376-T430 PolarHBondContact O-OG1 2.93Å
377	R	84.5	Confident	85.8	Confident	111 Å²	111	55.6 Å²	55.6	42%	0.419	29%	0.287	S	S	.	.	S	Bend	trans	-135.7	156.9	172.7	-70.5	-170.8	112.3	156.3	10.4	108.9	V379 Y428 E449	R377-V379 PolarHBondContact O-N 3.02Å; R377-V379 VanDerWaalsContact O-N 3.07Å; R377-Y428 VanDerWaalsContact CG-CB 3.47Å; R377-Y428 HydrophobicContact CG-CD1 3.83Å; R377-Y428 HydrophobicContact CG-CD2 3.7Å; R377-Y428 HydrophobicContact CG-CE1 4.48Å; R377-Y428 HydrophobicContact CG-CE2 4.37Å; R377-Y428 HydrophobicContact CG-CG 3.4Å; R377-Y428 PolarHBondContact NH1-OH 3.3Å; R377-E449 WeakPolarHBondContact CA-OE1 3.34Å; R377-E449 WeakPolarHBondContact CB-OE1 3.15Å; R377-E449 IonicContact CZ-OE2 3.36Å; R377-E449 IonicContact NE-OE2 3.08Å; R377-E449 PolarHBondContact NE-OE2 3.43Å; R377-E449 IonicContact NH2-OE2 2.79Å; R377-E449 PolarHBondContact NH2-OE2 3.14Å
378	N	80	Confident	86.1	Confident	149 Å²	149	57 Å²	57	80%	0.797	30%	0.301	S	S	*	.	S	Bend	trans	48.3	35.7	-179.7	-55.4	-43.2	0	0	0	112.4	E449	N378-E449 PolarHBondContact N-OE1 3.35Å
379	V	83.1	Confident	86.1	Confident	28 Å²	28	59.1 Å²	59.1	17%	0.17	31%	0.312	C	S	.	.			trans	-67	136.4	-170	-177.2	0	0	0	0	110.1	R377 D383 M384	R377-V379 PolarHBondContact O-N 3.02Å; R377-V379 VanDerWaalsContact O-N 3.07Å; V379-D383 HydrophobicContact CG1-CB 3.73Å; V379-M384 HydrophobicContact CB-SD 3.99Å; V379-M384 HydrophobicContact CG1-CG 4.2Å; V379-M384 HydrophobicContact CG1-SD 3.85Å
380	K	78.9	Confident	86.3	Confident	145 Å²	145	59.6 Å²	59.6	63%	0.63	32%	0.315	S	S	*	.			trans	-67.9	150.8	179.4	-60.4	178.5	178.1	179.1	0	110.7	S382 D383	K380-S382 WeakPolarHBondContact CB-OG 3.48Å; K380-S382 PolarHBondContact O-N 3.08Å; K380-S382 VanDerWaalsContact O-N 3.09Å; K380-D383 WeakPolarHBondContact CB-OD2 3.43Å; K380-D383 PolarHBondContact O-N 3.15Å
381	N	78.8	Confident	86.4	Confident	119 Å²	119	62 Å²	62	64%	0.636	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-58.5	-24.6	177.4	-70	-25.3	0	0	0	113.8	D383 R445	N381-D383 VanDerWaalsContact C-N 3.33Å; N381-R445 PolarHBondContact OD1-NH1 2.91Å
382	S	78.9	Confident	86	Confident	92 Å²	92	63.8 Å²	63.8	64%	0.643	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-69.4	-26.8	173.1	47.1	0	0	0	0	114	K380	K380-S382 WeakPolarHBondContact CB-OG 3.48Å; K380-S382 PolarHBondContact O-N 3.08Å; K380-S382 VanDerWaalsContact O-N 3.09Å
383	D	83.4	Confident	85.5	Confident	71 Å²	71	64 Å²	64	38%	0.38	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-103.7	6.1	-168	-40.4	-20	0	0	0	110.7	S374 V379 K380 N381 H385	S374-D383 VanDerWaalsContact CB-O 3.29Å; S374-D383 WeakPolarHBondContact CB-O 3.43Å; S374-D383 PolarHBondContact OG-O 3.03Å; V379-D383 HydrophobicContact CG1-CB 3.73Å; K380-D383 WeakPolarHBondContact CB-OD2 3.43Å; K380-D383 PolarHBondContact O-N 3.15Å; N381-D383 VanDerWaalsContact C-N 3.33Å; D383-H385 PolarHBondContact O-CE1 3.39Å; D383-H385 VanDerWaalsContact O-CE1 3.23Å; D383-H385 PolarHBondContact O-ND1 3.04Å
384	M	87.8	Confident	85.1	Confident	13 Å²	13	68.3 Å²	68.3	6%	0.064	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-95	118.1	179	-71.6	-63.7	-54.7	0	0	110.5	L372 S374 V379 T430 A432	L372-M384 HydrophobicContact CB-CB 4.16Å; L372-M384 HydrophobicContact CB-CE 3.76Å; L372-M384 HydrophobicContact CD2-CB 4.04Å; S374-M384 WeakPolarHBondContact CB-SD 3.49Å; V379-M384 HydrophobicContact CB-SD 3.99Å; V379-M384 HydrophobicContact CG1-CG 4.2Å; V379-M384 HydrophobicContact CG1-SD 3.85Å; M384-T430 HydrophobicContact CE-CG2 4.29Å; M384-T430 HydrophobicContact SD-CG2 4.11Å; M384-A432 HydrophobicContact CE-CB 3.81Å
385	H	88.7	Confident	84.6	Confident	53 Å²	53	69.2 Å²	69.2	25%	0.245	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.4	-172.7	-58.1	88.8	0	0	0	111.2	L372 L373 D383 Q413 F414	L372-H385 CarbonylContact C-O 3.46Å; L372-H385 WeakPolarHBondContact CA-O 3.5Å; L372-H385 WeakPolarHBondContact CB-O 3.29Å; L373-H385 PolarHBondContact N-O 3.23Å; L373-H385 PolarHBondContact O-N 2.83Å; D383-H385 PolarHBondContact O-CE1 3.39Å; D383-H385 VanDerWaalsContact O-CE1 3.23Å; D383-H385 PolarHBondContact O-ND1 3.04Å; H385-Q413 HydrophobicContact CB-CB 4.42Å; H385-Q413 VanDerWaalsContact CD2-CG 3.45Å; H385-Q413 WeakPolarHBondContact CD2-CG 3.34Å; H385-F414 HydrophobicContact CB-CE1 3.73Å; H385-F414 HydrophobicContact CB-CZ 3.79Å
386	L	89.4	Confident	83.9	Confident	106 Å²	106	73.9 Å²	73.9	56%	0.555	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	132.5	-179.9	-176.4	64	0	0	0	111.2	L372	L372-L386 HydrophobicContact CG-CD1 4.28Å
387	L	88.9	Confident	83.4	Confident	5 Å²	5	76.5 Å²	76.5	3%	0.026	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-88.9	148.5	167.1	-61.5	-179.2	0	0	0	110.3	I351 L371 L373 L389 W407 F414	I351-L387 HydrophobicContact CB-CD1 3.9Å; I351-L387 HydrophobicContact CG1-CD1 3.54Å; L371-L387 HydrophobicContact CD2-CD1 4.43Å; L371-L387 HydrophobicContact CG-CD1 4.33Å; L371-L387 WeakPolarHBondContact O-CB 3.37Å; L371-L387 PolarHBondContact O-N 3.41Å; L373-L387 HydrophobicContact CB-CD1 4.12Å; L373-L387 HydrophobicContact CB-CD2 4.09Å; L373-L387 HydrophobicContact CB-CG 4.08Å; L373-L387 HydrophobicContact CD2-CD1 4.44Å; L373-L387 HydrophobicContact CD2-CD2 4.26Å; L387-L389 PolarHBondContact O-N 2.97Å; L387-L389 VanDerWaalsContact O-N 3.12Å; L387-W407 HydrophobicContact CD1-CB 4.49Å; L387-W407 HydrophobicContact CD2-CB 3.95Å; L387-W407 HydrophobicContact CD2-CG 4.4Å; L387-F414 HydrophobicContact CD2-CE1 4.34Å; L387-F414 HydrophobicContact CD2-CE2 3.57Å; L387-F414 HydrophobicContact CD2-CZ 3.44Å; L387-F414 VanDerWaalsContact CD2-CZ 3.44Å
388	D	86.9	Confident	83	Confident	126 Å²	126	72.8 Å²	72.8	67%	0.674	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	110.3	172.1	-75.1	-55	0	0	0	109.8	E390 G405 S406	D388-E390 PolarHBondContact O-N 3.07Å; D388-G405 CarbonylContact O-C 3.57Å; D388-G405 WeakPolarHBondContact O-CA 3.48Å; D388-S406 PolarHBondContact O-N 3.19Å; D388-S406 PolarHBondContact O-OG 3.03Å
389	L	87.2	Confident	82.8	Confident	48 Å²	48	71.7 Å²	71.7	25%	0.251	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	114.9	179.1	-177.5	72.2	0	0	0	110	C368 L387 I403 T404	C368-L389 HydrophobicContact CB-CD2 4.3Å; L387-L389 PolarHBondContact O-N 2.97Å; L387-L389 VanDerWaalsContact O-N 3.12Å; L389-I403 HydrophobicContact CD1-CG2 3.59Å; L389-T404 WeakPolarHBondContact CD1-O 3.48Å
390	E	85.5	Confident	83	Confident	91 Å²	91	71.1 Å²	71.1	43%	0.425	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-39.9	179.1	-60.2	-168.8	138.2	0	0	112.6	K350 D388 T404	K350-E390 VanDerWaalsContact CD-OE2 3.32Å; K350-E390 WeakPolarHBondContact CD-OE2 3.49Å; K350-E390 WeakPolarHBondContact CE-OE1 3.11Å; K350-E390 VanDerWaalsContact CE-OE2 3.23Å; K350-E390 WeakPolarHBondContact CE-OE2 3.33Å; K350-E390 IonicContact NZ-OE1 2.77Å; K350-E390 PolarHBondContact NZ-OE1 3.08Å; K350-E390 IonicContact NZ-OE2 3.21Å; K350-E390 PolarHBondContact NZ-OE2 2.92Å; D388-E390 PolarHBondContact O-N 3.07Å; E390-T404 HydrophobicContact CB-CG2 4.5Å; E390-T404 PolarHBondContact N-O 3.42Å; E390-T404 WeakPolarHBondContact OE2-CG2 3.5Å
391	S	86.8	Confident	83.5	Confident	56 Å²	56	65.5 Å²	65.5	39%	0.392	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	142.1	-174.1	69.6	0	0	0	0	112.1	I403 T404	S391-I403 WeakPolarHBondContact O-CA 3.32Å; S391-T404 PolarHBondContact N-O 2.89Å; S391-T404 PolarHBondContact O-N 2.88Å; S391-T404 WeakPolarHBondContact OG-CB 3.22Å; S391-T404 PolarHBondContact OG-OG1 3.47Å
392	M	85.4	Confident	84.2	Confident	37 Å²	37	62.2 Å²	62.2	18%	0.182	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.7	162.8	-177.4	-90	-166.5	0	0	108.4	I365 C368 Y401 I402 I403	I365-M392 HydrophobicContact CB-CE 4.22Å; I365-M392 HydrophobicContact CG2-CE 3.62Å; C368-M392 HydrophobicContact CB-CG 4.14Å; M392-Y401 HydrophobicContact CE-CD1 3.54Å; M392-Y401 HydrophobicContact CE-CE1 3.91Å; M392-Y401 HydrophobicContact CE-CG 4.46Å; M392-Y401 HydrophobicContact SD-CD1 4.34Å; M392-I402 WeakPolarHBondContact CA-O 3.46Å; M392-I403 HydrophobicContact CB-CG1 4.41Å; M392-I403 HydrophobicContact CG-CD1 4.48Å; M392-I403 HydrophobicContact CG-CG1 3.75Å
393	G	83.9	Confident	84.9	Confident	23 Å²	23	57.9 Å²	57.9	24%	0.237	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.2	172.4	176.2	0	0	0	0	0	113	Y401 I402	G393-Y401 CarbonylContact O-C 3.52Å; G393-Y401 WeakPolarHBondContact O-CA 3.32Å; G393-I402 PolarHBondContact N-O 2.87Å; G393-I402 PolarHBondContact O-N 3.32Å
394	K	83.4	Confident	85.4	Confident	90 Å²	90	55.3 Å²	55.3	39%	0.391	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	141	177.3	-129.1	178.9	-166.8	-158.2	0	111.7	E362 G398 S400 Y401	E362-K394 IonicContact OE1-NZ 3.53Å; E362-K394 PolarHBondContact OE1-NZ 3.1Å; K394-G398 WeakPolarHBondContact CD-O 3.48Å; K394-G398 WeakPolarHBondContact CE-O 3.38Å; K394-G398 PolarHBondContact NZ-O 2.98Å; K394-S400 WeakPolarHBondContact CG-O 3.33Å; K394-Y401 HydrophobicContact CD-CE2 4.31Å; K394-Y401 HydrophobicContact CG-CD1 4.3Å; K394-Y401 HydrophobicContact CG-CD2 4.21Å; K394-Y401 HydrophobicContact CG-CE1 4.29Å; K394-Y401 HydrophobicContact CG-CE2 4.18Å; K394-Y401 HydrophobicContact CG-CG 4.3Å
395	S	82.4	Confident	85.7	Confident	24 Å²	24	54.7 Å²	54.7	17%	0.168	31%	0.306	C	S	.	.			trans	-54	152.5	170.5	167.7	0	0	0	0	111.5	D397 G398 S400	S395-D397 VanDerWaalsContact CB-OD1 3.32Å; S395-D397 WeakPolarHBondContact CB-OD1 3.46Å; S395-D397 PolarHBondContact O-N 3.14Å; S395-D397 VanDerWaalsContact O-N 3.16Å; S395-D397 PolarHBondContact OG-N 3.2Å; S395-D397 PolarHBondContact OG-OD1 3.36Å; S395-G398 WeakPolarHBondContact O-CA 3.31Å; S395-G398 PolarHBondContact O-N 3.01Å; S395-S400 VanDerWaalsContact CB-O 3.26Å; S395-S400 WeakPolarHBondContact CB-O 3.5Å; S395-S400 VanDerWaalsContact CB-OG 3.26Å; S395-S400 WeakPolarHBondContact CB-OG 3.43Å; S395-S400 PolarHBondContact N-O 3.33Å
396	S	74.7	Confident	85.8	Confident	138 Å²	138	53.8 Å²	53.8	97%	0.965	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.3	178.8	56.2	0	0	0	0	114.3
397	D	73.3	Confident	85.8	Confident	81 Å²	81	48.8 Å²	48.8	43%	0.433	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-4.4	171.2	84.1	-33.1	0	0	0	113.8	S395 K399	S395-D397 VanDerWaalsContact CB-OD1 3.32Å; S395-D397 WeakPolarHBondContact CB-OD1 3.46Å; S395-D397 PolarHBondContact O-N 3.14Å; S395-D397 VanDerWaalsContact O-N 3.16Å; S395-D397 PolarHBondContact OG-N 3.2Å; S395-D397 PolarHBondContact OG-OD1 3.36Å; D397-K399 VanDerWaalsContact C-N 3.3Å; D397-K399 PolarHBondContact O-N 2.96Å; D397-K399 PolarHBondContact OD1-N 3.21Å; D397-K399 VanDerWaalsContact OD1-N 3.13Å; D397-K399 VanDerWaalsContact OD2-CD 3.22Å; D397-K399 WeakPolarHBondContact OD2-CD 3.38Å; D397-K399 WeakPolarHBondContact OD2-CG 3.5Å; D397-K399 IonicContact OD2-NZ 3.41Å
398	G	74.6	Confident	85.7	Confident	34 Å²	34	51.9 Å²	51.9	35%	0.351	30%	0.296	S	S	.	.	S	Bend	trans	74.3	5.8	178.2	0	0	0	0	0	115.9	K394 S395	K394-G398 WeakPolarHBondContact CD-O 3.48Å; K394-G398 WeakPolarHBondContact CE-O 3.38Å; K394-G398 PolarHBondContact NZ-O 2.98Å; S395-G398 WeakPolarHBondContact O-CA 3.31Å; S395-G398 PolarHBondContact O-N 3.01Å
399	K	76.2	Confident	85.5	Confident	126 Å²	126	46.6 Å²	46.6	55%	0.548	27%	0.268	S	S	.	.	S	Bend	trans	-101.1	-27	-170.5	-61	-178.1	-160.7	147.4	0	115.3	D397	D397-K399 VanDerWaalsContact C-N 3.3Å; D397-K399 PolarHBondContact O-N 2.96Å; D397-K399 PolarHBondContact OD1-N 3.21Å; D397-K399 VanDerWaalsContact OD1-N 3.13Å; D397-K399 VanDerWaalsContact OD2-CD 3.22Å; D397-K399 WeakPolarHBondContact OD2-CD 3.38Å; D397-K399 WeakPolarHBondContact OD2-CG 3.5Å; D397-K399 IonicContact OD2-NZ 3.41Å
400	S	87.1	Confident	85.2	Confident	15 Å²	15	50.4 Å²	50.4	11%	0.105	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	154.4	179.2	61.2	0	0	0	0	111.3	I355 K394 S395	I355-S400 CarbonylContact O-C 3.5Å; I355-S400 WeakPolarHBondContact O-CA 3.37Å; K394-S400 WeakPolarHBondContact CG-O 3.33Å; S395-S400 VanDerWaalsContact CB-O 3.26Å; S395-S400 WeakPolarHBondContact CB-O 3.5Å; S395-S400 VanDerWaalsContact CB-OG 3.26Å; S395-S400 WeakPolarHBondContact CB-OG 3.43Å; S395-S400 PolarHBondContact N-O 3.33Å
401	Y	90.8	Very high	85.1	Confident	28 Å²	28	48 Å²	48	11%	0.11	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	138.5	164.6	-72.8	-102.1	0	0	0	109.1	Y354 I355 I365 M392 G393 K394	Y354-Y401 CarbonylContact C-O 3.5Å; Y354-Y401 VanDerWaalsContact CA-O 3.32Å; Y354-Y401 WeakPolarHBondContact CA-O 3.46Å; I355-Y401 PolarHBondContact N-O 3.26Å; I355-Y401 PolarHBondContact O-N 3.05Å; I365-Y401 HydrophobicContact CB-CD1 4.16Å; I365-Y401 HydrophobicContact CB-CD2 4.13Å; I365-Y401 HydrophobicContact CB-CE1 3.93Å; I365-Y401 HydrophobicContact CB-CE2 3.91Å; I365-Y401 HydrophobicContact CB-CG 4.22Å; I365-Y401 HydrophobicContact CD1-CD2 3.64Å; I365-Y401 HydrophobicContact CD1-CE2 4.04Å; I365-Y401 HydrophobicContact CD1-CG 4.05Å; I365-Y401 HydrophobicContact CG1-CD2 4.1Å; I365-Y401 HydrophobicContact CG1-CE2 3.99Å; I365-Y401 PolarHBondContact N-OH 3.06Å; I365-Y401 VanDerWaalsContact O-CE1 3.22Å; I365-Y401 WeakPolarHBondContact O-CE1 3.2Å; I365-Y401 PolarHBondContact O-OH 3.24Å; I365-Y401 VanDerWaalsContact O-OH 3.14Å; M392-Y401 HydrophobicContact CE-CD1 3.54Å; M392-Y401 HydrophobicContact CE-CE1 3.91Å; M392-Y401 HydrophobicContact CE-CG 4.46Å; M392-Y401 HydrophobicContact SD-CD1 4.34Å; G393-Y401 CarbonylContact O-C 3.52Å; G393-Y401 WeakPolarHBondContact O-CA 3.32Å; K394-Y401 HydrophobicContact CD-CE2 4.31Å; K394-Y401 HydrophobicContact CG-CD1 4.3Å; K394-Y401 HydrophobicContact CG-CD2 4.21Å; K394-Y401 HydrophobicContact CG-CE1 4.29Å; K394-Y401 HydrophobicContact CG-CE2 4.18Å; K394-Y401 HydrophobicContact CG-CG 4.3Å
402	I	93	Very high	84.7	Confident	50 Å²	50	50.2 Å²	50.2	26%	0.256	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.6	177.9	-47.4	-178	0	0	0	107.4	V352 I353 Y354 M392 G393	V352-I402 HydrophobicContact CG1-CG2 3.71Å; I353-I402 CarbonylContact O-C 3.59Å; I353-I402 WeakPolarHBondContact O-CA 3.49Å; Y354-I402 HydrophobicContact CD1-CD1 4.21Å; Y354-I402 HydrophobicContact CD1-CG1 3.88Å; Y354-I402 HydrophobicContact CD1-CG2 4.2Å; Y354-I402 HydrophobicContact CE1-CD1 4.04Å; Y354-I402 HydrophobicContact CE1-CG1 4.15Å; Y354-I402 HydrophobicContact CE1-CG2 4.03Å; M392-I402 WeakPolarHBondContact CA-O 3.46Å; G393-I402 PolarHBondContact N-O 2.87Å; G393-I402 PolarHBondContact O-N 3.32Å
403	I	93.8	Very high	84.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	116.9	-176.8	-60.6	168.3	0	0	0	106.9	V352 I353 I355 C368 L371 L389 S391 M392 V433 L435	V352-I403 CarbonylContact C-O 3.4Å; V352-I403 WeakPolarHBondContact CA-O 3.35Å; I353-I403 HydrophobicContact CB-CB 4.34Å; I353-I403 PolarHBondContact N-O 2.99Å; I353-I403 PolarHBondContact O-N 2.96Å; I355-I403 HydrophobicContact CD1-CD1 3.67Å; I355-I403 HydrophobicContact CG1-CD1 4.34Å; C368-I403 HydrophobicContact CB-CD1 4.04Å; C368-I403 HydrophobicContact CB-CG1 4.37Å; C368-I403 HydrophobicContact CB-CG2 4.07Å; L371-I403 HydrophobicContact CD2-CG2 4.34Å; L389-I403 HydrophobicContact CD1-CG2 3.59Å; S391-I403 WeakPolarHBondContact O-CA 3.32Å; M392-I403 HydrophobicContact CB-CG1 4.41Å; M392-I403 HydrophobicContact CG-CD1 4.48Å; M392-I403 HydrophobicContact CG-CG1 3.75Å; I403-V433 HydrophobicContact CD1-CG2 3.72Å; I403-V433 HydrophobicContact CG2-CG2 4.34Å; I403-L435 HydrophobicContact CD1-CD2 3.66Å
404	T	93.9	Very high	84.5	Confident	17 Å²	17	51.9 Å²	51.9	10%	0.104	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.3	-178.6	-50.8	0	0	0	0	109.9	K350 I351 V352 L389 E390 S391	K350-T404 HydrophobicContact CB-CG2 4.27Å; K350-T404 HydrophobicContact CD-CG2 4.32Å; I351-T404 WeakPolarHBondContact O-CA 3.45Å; V352-T404 HydrophobicContact CG2-CG2 4.05Å; L389-T404 WeakPolarHBondContact CD1-O 3.48Å; E390-T404 HydrophobicContact CB-CG2 4.5Å; E390-T404 PolarHBondContact N-O 3.42Å; E390-T404 WeakPolarHBondContact OE2-CG2 3.5Å; S391-T404 PolarHBondContact N-O 2.89Å; S391-T404 PolarHBondContact O-N 2.88Å; S391-T404 WeakPolarHBondContact OG-CB 3.22Å; S391-T404 PolarHBondContact OG-OG1 3.47Å
405	G	93.6	Very high	84.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148	166.9	0	0	0	0	0	112.4	K350 I351 D388	K350-G405 WeakPolarHBondContact CA-O 3.46Å; I351-G405 PolarHBondContact N-O 3.2Å; I351-G405 PolarHBondContact O-N 2.97Å; D388-G405 CarbonylContact O-C 3.57Å; D388-G405 WeakPolarHBondContact O-CA 3.48Å
406	S	90.6	Very high	84.1	Confident	35 Å²	35	54 Å²	54	25%	0.245	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	140.7	177.1	48.7	0	0	0	0	111.7	D388	D388-S406 PolarHBondContact O-N 3.19Å; D388-S406 PolarHBondContact O-OG 3.03Å
407	W	90.3	Very high	84.4	Confident	1 Å²	1	47.4 Å²	47.4	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	103.9	176.1	166.2	18.4	0	0	0	108.7	L343 K349 I351 L373 L387 F414 V417 N418 M429	L343-W407 HydrophobicContact CD1-CH2 3.46Å; L343-W407 VanDerWaalsContact CD1-CH2 3.46Å; L343-W407 HydrophobicContact CD1-CZ3 3.83Å; K349-W407 HydrophobicContact CB-CB 4.19Å; K349-W407 HydrophobicContact CB-CD2 4.09Å; K349-W407 HydrophobicContact CB-CE3 3.85Å; K349-W407 HydrophobicContact CB-CG 4.3Å; K349-W407 HydrophobicContact CD-CD2 4.11Å; K349-W407 HydrophobicContact CD-CE3 3.75Å; K349-W407 HydrophobicContact CD-CH2 3.9Å; K349-W407 HydrophobicContact CD-CZ2 4.2Å; K349-W407 HydrophobicContact CD-CZ3 3.67Å; K349-W407 HydrophobicContact CG-CD2 4.26Å; K349-W407 HydrophobicContact CG-CE3 4.18Å; K349-W407 PolarHBondContact N-O 2.87Å; K349-W407 PolarHBondContact O-N 3.45Å; I351-W407 HydrophobicContact CD1-CE3 3.97Å; I351-W407 HydrophobicContact CD1-CZ3 4.36Å; I351-W407 HydrophobicContact CG1-CE3 4.35Å; L373-W407 HydrophobicContact CD2-CD2 3.56Å; L373-W407 HydrophobicContact CD2-CE3 3.6Å; L373-W407 HydrophobicContact CD2-CG 4.03Å; L373-W407 HydrophobicContact CD2-CH2 4.29Å; L373-W407 HydrophobicContact CD2-CZ2 4.3Å; L373-W407 HydrophobicContact CD2-CZ3 3.94Å; L387-W407 HydrophobicContact CD1-CB 4.49Å; L387-W407 HydrophobicContact CD2-CB 3.95Å; L387-W407 HydrophobicContact CD2-CG 4.4Å; W407-F414 AromaticContact CD1-CD2 3.47Å; W407-F414 VanDerWaalsContact CD1-CD2 3.47Å; W407-F414 AromaticContact CD1-CG 3.86Å; W407-F414 AromaticContact NE1-CD2 3.7Å; W407-F414 AromaticContact NE1-CG 3.6Å; W407-V417 HydrophobicContact CH2-CB 3.95Å; W407-V417 HydrophobicContact CH2-CG2 4.05Å; W407-V417 HydrophobicContact CZ2-CB 3.72Å; W407-V417 HydrophobicContact CZ2-CG2 3.42Å; W407-V417 VanDerWaalsContact CZ2-CG2 3.42Å; W407-N418 PolarHBondContact NE1-ND2 3.43Å; W407-M429 HydrophobicContact CH2-SD 3.92Å; W407-M429 HydrophobicContact CZ3-SD 3.87Å
408	N	86.5	Confident	84.9	Confident	70 Å²	70	44.2 Å²	44.2	37%	0.374	25%	0.249	S	C	.	.			trans	-80.7	128.6	175.2	-174.5	-32.1	0	0	0	110.1	D348 N410	D348-N408 WeakPolarHBondContact OD1-CA 3.35Å; N408-N410 VanDerWaalsContact C-N 3.28Å; N408-N410 PolarHBondContact O-N 2.8Å; N408-N410 VanDerWaalsContact OD1-CB 3.29Å; N408-N410 WeakPolarHBondContact OD1-CB 3.46Å; N408-N410 PolarHBondContact OD1-N 3.38Å; N408-N410 PolarHBondContact OD1-ND2 3.16Å
409	P	81.7	Confident	85.3	Confident	14 Å²	14	47.7 Å²	47.7	9%	0.091	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.4	-177.1	33.4	-38.2	0	0	0	113.2	D348 T411 N418	D348-P409 WeakPolarHBondContact OD1-CD 3.4Å; P409-T411 VanDerWaalsContact C-N 3.35Å; P409-N418 VanDerWaalsContact CB-OD1 3.27Å; P409-N418 WeakPolarHBondContact CB-OD1 3.23Å
410	N	81.1	Confident	85.6	Confident	129 Å²	129	46.4 Å²	46.4	69%	0.69	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-9.8	-179.7	-52.8	-84	0	0	0	112.7	N408 P412	N408-N410 VanDerWaalsContact C-N 3.28Å; N408-N410 PolarHBondContact O-N 2.8Å; N408-N410 VanDerWaalsContact OD1-CB 3.29Å; N408-N410 WeakPolarHBondContact OD1-CB 3.46Å; N408-N410 PolarHBondContact OD1-N 3.38Å; N408-N410 PolarHBondContact OD1-ND2 3.16Å; N410-P412 WeakPolarHBondContact O-CD 3.46Å
411	T	83.3	Confident	85.4	Confident	40 Å²	40	46.4 Å²	46.4	25%	0.245	25%	0.251	C	S	.	.	S	Bend	trans	-68.1	118.6	175.7	-61.8	0	0	0	0	109.6	P409 Q413 F414	P409-T411 VanDerWaalsContact C-N 3.35Å; T411-Q413 HydrophobicContact CG2-CB 4.42Å; T411-Q413 PolarHBondContact O-N 2.7Å; T411-Q413 VanDerWaalsContact O-N 3.09Å; T411-F414 HydrophobicContact CG2-CD2 3.79Å; T411-F414 HydrophobicContact CG2-CE2 3.97Å; T411-F414 PolarHBondContact O-N 3.45Å
412	P	80	Confident	84.9	Confident	103 Å²	103	49.2 Å²	49.2	67%	0.669	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-57.2	-33.1	-170.8	-28.6	35.9	0	0	0	114.6	N410 F414 Q415	N410-P412 WeakPolarHBondContact O-CD 3.46Å; P412-F414 PolarHBondContact O-N 3.4Å; P412-F414 VanDerWaalsContact O-N 3.16Å; P412-Q415 VanDerWaalsContact O-CB 3.27Å; P412-Q415 WeakPolarHBondContact O-CB 3.13Å; P412-Q415 PolarHBondContact O-N 2.74Å
413	Q	80.6	Confident	83.7	Confident	88 Å²	88	52.5 Å²	52.5	41%	0.411	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-64.9	-18	178.8	-60.6	129.6	-36.8	0	0	113.2	H385 T411	H385-Q413 HydrophobicContact CB-CB 4.42Å; H385-Q413 VanDerWaalsContact CD2-CG 3.45Å; H385-Q413 WeakPolarHBondContact CD2-CG 3.34Å; T411-Q413 HydrophobicContact CG2-CB 4.42Å; T411-Q413 PolarHBondContact O-N 2.7Å; T411-Q413 VanDerWaalsContact O-N 3.09Å
414	F	83.1	Confident	82.5	Confident	6 Å²	6	59.4 Å²	59.4	3%	0.026	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-104	11.8	176	-56.3	-43.9	0	0	0	113.5	L373 H385 L387 W407 T411 P412 A416 V417 N418	L373-F414 HydrophobicContact CB-CE1 3.83Å; L373-F414 HydrophobicContact CB-CZ 4.27Å; L373-F414 HydrophobicContact CD2-CD1 4.25Å; L373-F414 HydrophobicContact CD2-CE1 4.15Å; L373-F414 HydrophobicContact CG-CE1 4.32Å; H385-F414 HydrophobicContact CB-CE1 3.73Å; H385-F414 HydrophobicContact CB-CZ 3.79Å; L387-F414 HydrophobicContact CD2-CE1 4.34Å; L387-F414 HydrophobicContact CD2-CE2 3.57Å; L387-F414 HydrophobicContact CD2-CZ 3.44Å; L387-F414 VanDerWaalsContact CD2-CZ 3.44Å; W407-F414 AromaticContact CD1-CD2 3.47Å; W407-F414 VanDerWaalsContact CD1-CD2 3.47Å; W407-F414 AromaticContact CD1-CG 3.86Å; W407-F414 AromaticContact NE1-CD2 3.7Å; W407-F414 AromaticContact NE1-CG 3.6Å; T411-F414 HydrophobicContact CG2-CD2 3.79Å; T411-F414 HydrophobicContact CG2-CE2 3.97Å; T411-F414 PolarHBondContact O-N 3.45Å; P412-F414 PolarHBondContact O-N 3.4Å; P412-F414 VanDerWaalsContact O-N 3.16Å; F414-A416 VanDerWaalsContact C-N 3.35Å; F414-A416 PolarHBondContact O-N 3.47Å; F414-V417 HydrophobicContact CB-CG2 3.8Å; F414-V417 HydrophobicContact CD1-CG2 4.24Å; F414-V417 HydrophobicContact CG-CG2 4.43Å; F414-V417 VanDerWaalsContact O-CG2 3.26Å; F414-V417 WeakPolarHBondContact O-CG2 3.28Å; F414-V417 PolarHBondContact O-N 3.3Å; F414-N418 PolarHBondContact O-N 3.13Å; F414-N418 PolarHBondContact O-ND2 3.48Å
415	Q	80.8	Confident	81.7	Confident	110 Å²	110	65.4 Å²	65.4	51%	0.514	35%	0.347	S	S	.	.	S	Bend	trans	-56.9	-46.5	177.5	179.8	173.9	-22.2	0	0	111.7	P412 V417 N418 E419	P412-Q415 VanDerWaalsContact O-CB 3.27Å; P412-Q415 WeakPolarHBondContact O-CB 3.13Å; P412-Q415 PolarHBondContact O-N 2.74Å; Q415-V417 VanDerWaalsContact C-N 3.27Å; Q415-V417 PolarHBondContact O-N 3.3Å; Q415-N418 CarbonylContact O-C 3.59Å; Q415-N418 WeakPolarHBondContact O-CA 3.41Å; Q415-N418 PolarHBondContact O-N 3.42Å; Q415-E419 HydrophobicContact CG-CG 4.13Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.18Å; Q415-E419 PolarHBondContact NE2-OE1 3.06Å; Q415-E419 PolarHBondContact O-N 3Å
416	A	78.4	Confident	81.2	Confident	48 Å²	48	68.6 Å²	68.6	40%	0.397	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.4	-179	0	0	0	0	0	114.1	P375 F414 N418 M427	P375-A416 HydrophobicContact CB-CB 4.07Å; P375-A416 HydrophobicContact CG-CB 4.08Å; F414-A416 VanDerWaalsContact C-N 3.35Å; F414-A416 PolarHBondContact O-N 3.47Å; A416-N418 VanDerWaalsContact C-N 3.3Å; A416-M427 VanDerWaalsContact O-CE 3.27Å; A416-M427 WeakPolarHBondContact O-CE 3.38Å; A416-M427 VanDerWaalsContact O-SD 3.4Å
417	V	79.8	Confident	81	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	9.3	173.7	-75.1	0	0	0	0	113.2	P375 W407 F414 Q415 M427 M429 V454	P375-V417 HydrophobicContact CB-CG1 4.1Å; W407-V417 HydrophobicContact CH2-CB 3.95Å; W407-V417 HydrophobicContact CH2-CG2 4.05Å; W407-V417 HydrophobicContact CZ2-CB 3.72Å; W407-V417 HydrophobicContact CZ2-CG2 3.42Å; W407-V417 VanDerWaalsContact CZ2-CG2 3.42Å; F414-V417 HydrophobicContact CB-CG2 3.8Å; F414-V417 HydrophobicContact CD1-CG2 4.24Å; F414-V417 HydrophobicContact CG-CG2 4.43Å; F414-V417 VanDerWaalsContact O-CG2 3.26Å; F414-V417 WeakPolarHBondContact O-CG2 3.28Å; F414-V417 PolarHBondContact O-N 3.3Å; Q415-V417 VanDerWaalsContact C-N 3.27Å; Q415-V417 PolarHBondContact O-N 3.3Å; V417-M427 HydrophobicContact CB-CE 4.37Å; V417-M427 HydrophobicContact CB-SD 4.5Å; V417-M427 HydrophobicContact CG1-CE 3.46Å; V417-M427 VanDerWaalsContact CG1-CE 3.46Å; V417-M427 HydrophobicContact CG1-SD 3.96Å; V417-M429 HydrophobicContact CG1-CB 4.46Å; V417-M429 HydrophobicContact CG1-CG 4.07Å; V417-M429 HydrophobicContact CG1-SD 4.22Å; V417-V454 WeakPolarHBondContact O-CG2 3.45Å
418	N	83.3	Confident	81	Confident	15 Å²	15	70.9 Å²	70.9	8%	0.08	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-11.2	174.1	-78.9	-76.1	0	0	0	114.3	A345 W407 P409 F414 Q415 A416	A345-N418 WeakPolarHBondContact CB-O 3.45Å; W407-N418 PolarHBondContact NE1-ND2 3.43Å; P409-N418 VanDerWaalsContact CB-OD1 3.27Å; P409-N418 WeakPolarHBondContact CB-OD1 3.23Å; F414-N418 PolarHBondContact O-N 3.13Å; F414-N418 PolarHBondContact O-ND2 3.48Å; Q415-N418 CarbonylContact O-C 3.59Å; Q415-N418 WeakPolarHBondContact O-CA 3.41Å; Q415-N418 PolarHBondContact O-N 3.42Å; A416-N418 VanDerWaalsContact C-N 3.3Å
419	E	83.4	Confident	81.3	Confident	107 Å²	107	67.5 Å²	67.5	50%	0.5	35%	0.348	S	S	.	.	S	Bend	trans	-75.7	139.9	172.4	-75.7	179.9	176.2	0	0	112.2	Q415 T421 V454	Q415-E419 HydrophobicContact CG-CG 4.13Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.18Å; Q415-E419 PolarHBondContact NE2-OE1 3.06Å; Q415-E419 PolarHBondContact O-N 3Å; E419-T421 PolarHBondContact O-N 2.9Å; E419-V454 WeakPolarHBondContact O-CB 3.33Å
420	E	83	Confident	81.8	Confident	99 Å²	99	67 Å²	67	46%	0.463	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-64.6	120.4	-175.6	-178.3	164.5	-162.6	0	0	112.1	S456	E420-S456 VanDerWaalsContact OE1-CB 3.28Å; E420-S456 WeakPolarHBondContact OE1-CB 3.3Å; E420-S456 PolarHBondContact OE1-N 2.81Å; E420-S456 WeakPolarHBondContact OE2-CB 3.25Å
421	T	82.7	Confident	82.5	Confident	15 Å²	15	60.9 Å²	60.9	9%	0.092	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-79	133.7	-179.4	-45.1	0	0	0	0	110.2	E419 K423 K425 R453 V454	E419-T421 PolarHBondContact O-N 2.9Å; T421-K423 PolarHBondContact O-N 3.09Å; T421-K425 HydrophobicContact CG2-CB 4.39Å; T421-R453 HydrophobicContact CG2-CG 4.49Å; T421-V454 PolarHBondContact N-O 2.7Å; T421-V454 PolarHBondContact OG1-N 3.22Å
422	P	80.1	Confident	83	Confident	86 Å²	86	59 Å²	59	56%	0.558	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-52.4	140.6	176.4	-28.5	35.5	0	0	0	112.9	D424 K425	P422-D424 PolarHBondContact O-N 2.87Å; P422-K425 HydrophobicContact CB-CB 4.38Å; P422-K425 HydrophobicContact CB-CG 4.39Å; P422-K425 PolarHBondContact O-N 3.2Å
423	K	67.3	Low	83.7	Confident	120 Å²	120	54.1 Å²	54.1	52%	0.522	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.9	-163.5	-63.6	-155.1	177.4	-152.4	0	116.3	T421 R453 D459	T421-K423 PolarHBondContact O-N 3.09Å; K423-R453 PolarHBondContact O-NH1 2.85Å; K423-R453 PolarHBondContact O-NH2 3.36Å; K423-D459 IonicContact NZ-OD1 2.66Å; K423-D459 IonicContact NZ-OD2 3.26Å; K423-D459 PolarHBondContact NZ-OD2 3.46Å
424	D	69.6	Low	84.3	Confident	144 Å²	144	50.5 Å²	50.5	77%	0.77	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-18.2	177.4	-56.1	-63.6	0	0	0	112.7	P422 R453	P422-D424 PolarHBondContact O-N 2.87Å; D424-R453 PolarHBondContact O-NH2 2.76Å
425	K	77.6	Confident	84.7	Confident	144 Å²	144	50.2 Å²	50.2	63%	0.626	25%	0.251	S	S	*	.			trans	-90.7	170.7	-179.7	-60.7	-162.4	175.4	-165.3	0	112.7	T421 P422 R453	T421-K425 HydrophobicContact CG2-CB 4.39Å; P422-K425 HydrophobicContact CB-CB 4.38Å; P422-K425 HydrophobicContact CB-CG 4.39Å; P422-K425 PolarHBondContact O-N 3.2Å; K425-R453 VanDerWaalsContact O-CZ 3.23Å; K425-R453 PolarHBondContact O-NE 3.36Å; K425-R453 PolarHBondContact O-NH2 3.2Å
426	F	82.2	Confident	84.9	Confident	67 Å²	67	46 Å²	46	29%	0.294	23%	0.232	S	C	.	.			trans	-140.7	157.7	166.5	53	-97.9	0	0	0	107.4	Y428 R451 V452	F426-Y428 HydrophobicContact CD2-CE2 4.21Å; F426-Y428 HydrophobicContact CE2-CD2 4.43Å; F426-Y428 HydrophobicContact CE2-CE1 4.37Å; F426-Y428 AromaticContact CE2-CE2 3.62Å; F426-Y428 HydrophobicContact CE2-CE2 3.62Å; F426-Y428 AromaticContact CE2-CZ 3.56Å; F426-Y428 WeakPolarHBondContact CE2-OH 3.07Å; F426-R451 HydrophobicContact CD2-CB 4.44Å; F426-R451 HydrophobicContact CD2-CG 3.95Å; F426-R451 HydrophobicContact CE2-CG 4.15Å; F426-V452 WeakPolarHBondContact CA-O 3.29Å; F426-V452 WeakPolarHBondContact CB-O 3.31Å
427	M	86.9	Confident	85.4	Confident	36 Å²	36	43.7 Å²	43.7	18%	0.177	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	174.1	165.1	70.7	-174.6	-57.6	0	0	109.8	P375 A416 V417 V452 V454	P375-M427 HydrophobicContact CB-CE 3.78Å; A416-M427 VanDerWaalsContact O-CE 3.27Å; A416-M427 WeakPolarHBondContact O-CE 3.38Å; A416-M427 VanDerWaalsContact O-SD 3.4Å; V417-M427 HydrophobicContact CB-CE 4.37Å; V417-M427 HydrophobicContact CB-SD 4.5Å; V417-M427 HydrophobicContact CG1-CE 3.46Å; V417-M427 VanDerWaalsContact CG1-CE 3.46Å; V417-M427 HydrophobicContact CG1-SD 3.96Å; M427-V452 HydrophobicContact CG-CB 3.91Å; M427-V452 HydrophobicContact CG-CG1 4.18Å; M427-V452 PolarHBondContact N-O 2.66Å; M427-V452 PolarHBondContact O-N 3.12Å; M427-V452 HydrophobicContact SD-CG1 4.41Å; M427-V454 HydrophobicContact SD-CG2 4.37Å
428	Y	90.2	Very high	85.5	Confident	47 Å²	47	45 Å²	45	18%	0.184	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	156.7	166.2	-69.1	-82.8	0	0	0	110.3	G376 R377 F426 T450 R451	G376-Y428 PolarHBondContact N-O 3.22Å; G376-Y428 CarbonylContact O-C 3.52Å; G376-Y428 VanDerWaalsContact O-C 3.28Å; G376-Y428 WeakPolarHBondContact O-CB 3.35Å; R377-Y428 VanDerWaalsContact CG-CB 3.47Å; R377-Y428 HydrophobicContact CG-CD1 3.83Å; R377-Y428 HydrophobicContact CG-CD2 3.7Å; R377-Y428 HydrophobicContact CG-CE1 4.48Å; R377-Y428 HydrophobicContact CG-CE2 4.37Å; R377-Y428 HydrophobicContact CG-CG 3.4Å; R377-Y428 PolarHBondContact NH1-OH 3.3Å; F426-Y428 HydrophobicContact CD2-CE2 4.21Å; F426-Y428 HydrophobicContact CE2-CD2 4.43Å; F426-Y428 HydrophobicContact CE2-CE1 4.37Å; F426-Y428 AromaticContact CE2-CE2 3.62Å; F426-Y428 HydrophobicContact CE2-CE2 3.62Å; F426-Y428 AromaticContact CE2-CZ 3.56Å; F426-Y428 WeakPolarHBondContact CE2-OH 3.07Å; Y428-T450 CarbonylContact C-O 3.47Å; Y428-T450 WeakPolarHBondContact CA-O 3.47Å; Y428-R451 HydrophobicContact CD1-CG 3.86Å; Y428-R451 HydrophobicContact CE1-CB 4.49Å; Y428-R451 HydrophobicContact CE1-CG 3.32Å; Y428-R451 PolarHBondContact OH-NE 3.23Å; Y428-R451 VanDerWaalsContact OH-NE 3.16Å; Y428-R451 PolarHBondContact OH-NH2 3.45Å
429	M	91.7	Very high	85.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	123.2	178	-173.7	-176.1	78.7	0	0	108.6	I320 L373 S374 G376 W407 V417 T450 V452	I320-M429 HydrophobicContact CD1-CE 3.68Å; L373-M429 HydrophobicContact CD1-CE 3.85Å; L373-M429 HydrophobicContact CD1-CG 3.79Å; L373-M429 HydrophobicContact CD1-SD 3.72Å; L373-M429 HydrophobicContact CD2-SD 4.32Å; L373-M429 HydrophobicContact CG-CG 4.31Å; L373-M429 HydrophobicContact CG-SD 4.27Å; S374-M429 WeakPolarHBondContact O-CA 3.21Å; G376-M429 PolarHBondContact O-N 3.36Å; W407-M429 HydrophobicContact CH2-SD 3.92Å; W407-M429 HydrophobicContact CZ3-SD 3.87Å; V417-M429 HydrophobicContact CG1-CB 4.46Å; V417-M429 HydrophobicContact CG1-CG 4.07Å; V417-M429 HydrophobicContact CG1-SD 4.22Å; M429-T450 PolarHBondContact N-O 2.89Å; M429-T450 PolarHBondContact O-N 3.08Å; M429-T450 PolarHBondContact O-OG1 3.2Å; M429-V452 HydrophobicContact CB-CB 4.41Å; M429-V452 HydrophobicContact CB-CG2 3.59Å; M429-V452 HydrophobicContact CE-CG2 4.06Å; M429-V452 HydrophobicContact CG-CG2 4.45Å; M429-V452 HydrophobicContact SD-CG2 4.02Å
430	T	93.4	Very high	85.4	Confident	4 Å²	4	41.7 Å²	41.7	3%	0.025	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	129.6	176.4	-62.1	0	0	0	0	109.2	S374 G376 M384 L447 L448	S374-T430 PolarHBondContact N-O 2.76Å; S374-T430 PolarHBondContact O-N 3.44Å; G376-T430 PolarHBondContact O-OG1 2.93Å; M384-T430 HydrophobicContact CE-CG2 4.29Å; M384-T430 HydrophobicContact SD-CG2 4.11Å; T430-L447 HydrophobicContact CG2-CD2 3.69Å; T430-L448 WeakPolarHBondContact CA-O 3.09Å
431	T	94.5	Very high	85.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.9	172.1	-49.6	0	0	0	0	108.7	I351 I353 L371 L372 L373 L448	I351-T431 HydrophobicContact CG2-CG2 3.92Å; I353-T431 HydrophobicContact CD1-CG2 4.14Å; L371-T431 HydrophobicContact CD1-CG2 4.13Å; L372-T431 CarbonylContact O-C 3.52Å; L372-T431 VanDerWaalsContact O-CA 3.32Å; L372-T431 WeakPolarHBondContact O-CA 3.05Å; L373-T431 HydrophobicContact CD1-CG2 4.37Å; L373-T431 WeakPolarHBondContact CD1-OG1 3.23Å; T431-L448 PolarHBondContact N-O 3.22Å; T431-L448 PolarHBondContact O-N 3.37Å
432	A	94.1	Very high	85.2	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142.9	175.1	0	0	0	0	0	110.5	L371 L372 M384 R445 F446 L447	L371-A432 CarbonylContact C-O 3.54Å; L371-A432 WeakPolarHBondContact CA-O 3.28Å; L372-A432 HydrophobicContact CB-CB 4.29Å; L372-A432 HydrophobicContact CD1-CB 4.14Å; L372-A432 PolarHBondContact N-O 2.8Å; L372-A432 PolarHBondContact O-N 3.34Å; M384-A432 HydrophobicContact CE-CB 3.81Å; A432-R445 HydrophobicContact CB-CG 4.31Å; A432-F446 CarbonylContact C-O 3.53Å; A432-F446 WeakPolarHBondContact CA-O 3.45Å; A432-L447 HydrophobicContact CB-CD2 3.64Å; A432-L447 HydrophobicContact CB-CG 4.4Å
433	V	95.1	Very high	85.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121.5	171.3	63.9	0	0	0	0	110.4	I353 I355 G370 L371 I403 L435 R445 F446	I353-V433 HydrophobicContact CG2-CG1 4.25Å; I355-V433 HydrophobicContact CD1-CG1 3.96Å; I355-V433 HydrophobicContact CD1-CG2 4.36Å; G370-V433 WeakPolarHBondContact O-CA 3.1Å; L371-V433 HydrophobicContact CD1-CB 4.04Å; L371-V433 HydrophobicContact CD1-CG2 4.22Å; I403-V433 HydrophobicContact CD1-CG2 3.72Å; I403-V433 HydrophobicContact CG2-CG2 4.34Å; V433-L435 HydrophobicContact CG2-CD2 3.85Å; V433-R445 WeakPolarHBondContact O-CA 3.41Å; V433-F446 HydrophobicContact CG1-CB 3.79Å; V433-F446 HydrophobicContact CG1-CD2 4.36Å; V433-F446 PolarHBondContact N-O 2.77Å; V433-F446 PolarHBondContact O-N 2.92Å
434	D	92.5	Very high	86.5	Confident	12 Å²	12	41 Å²	41	6%	0.064	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.9	-170.8	-70.6	-13.4	0	0	0	110.2	C368 F369 G370 L372 R445	C368-D434 CarbonylContact C-O 3.56Å; C368-D434 WeakPolarHBondContact CA-O 3.32Å; F369-D434 HydrophobicContact CD1-CB 3.93Å; F369-D434 VanDerWaalsContact CD1-O 3.27Å; F369-D434 WeakPolarHBondContact CD1-O 3.45Å; F369-D434 HydrophobicContact CD2-CB 4.27Å; F369-D434 HydrophobicContact CE1-CB 3.63Å; F369-D434 HydrophobicContact CE2-CB 3.97Å; F369-D434 HydrophobicContact CG-CB 4.27Å; F369-D434 HydrophobicContact CZ-CB 3.66Å; F369-D434 PolarHBondContact N-O 3.32Å; G370-D434 PolarHBondContact O-N 3.14Å; L372-D434 WeakPolarHBondContact CD1-OD2 3.32Å; D434-R445 WeakPolarHBondContact OD1-CB 3.27Å; D434-R445 VanDerWaalsContact OD1-CG 3.3Å; D434-R445 WeakPolarHBondContact OD1-CG 3.33Å; D434-R445 IonicContact OD1-CZ 3.73Å; D434-R445 IonicContact OD1-NE 3.59Å; D434-R445 PolarHBondContact OD1-NE 3.46Å; D434-R445 IonicContact OD1-NH2 3.45Å; D434-R445 PolarHBondContact OD1-NH2 2.64Å; D434-R445 IonicContact OD2-CZ 2.76Å; D434-R445 IonicContact OD2-NE 3.77Å; D434-R445 IonicContact OD2-NH2 2.7Å; D434-R445 PolarHBondContact OD2-NH2 2.65Å
435	L	91.4	Very high	87.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	146.6	-173.5	-55	-174.3	0	0	0	112	I355 I365 C368 I403 V433 I437 P443 V444 F446	I355-L435 HydrophobicContact CD1-CD1 3.47Å; I355-L435 VanDerWaalsContact CD1-CD1 3.47Å; I355-L435 HydrophobicContact CD1-CD2 4.22Å; I355-L435 HydrophobicContact CD1-CG 4.29Å; I355-L435 HydrophobicContact CG2-CD1 4.44Å; I365-L435 HydrophobicContact CD1-CD1 3.9Å; I365-L435 HydrophobicContact CG1-CD1 4.39Å; I365-L435 HydrophobicContact CG2-CB 4.17Å; I365-L435 HydrophobicContact CG2-CD1 3.92Å; I365-L435 HydrophobicContact CG2-CD2 4.08Å; I365-L435 HydrophobicContact CG2-CG 4.29Å; C368-L435 HydrophobicContact CB-CD2 4.03Å; I403-L435 HydrophobicContact CD1-CD2 3.66Å; V433-L435 HydrophobicContact CG2-CD2 3.85Å; L435-I437 HydrophobicContact CB-CG1 4.07Å; L435-P443 CarbonylContact O-C 3.42Å; L435-P443 WeakPolarHBondContact O-CA 3.41Å; L435-V444 PolarHBondContact N-O 3.47Å; L435-V444 PolarHBondContact O-N 3.43Å; L435-F446 HydrophobicContact CD1-CD2 3.86Å; L435-F446 HydrophobicContact CD1-CE2 3.53Å; L435-F446 HydrophobicContact CG-CD2 4.27Å; L435-F446 HydrophobicContact CG-CE2 4.23Å
436	V	86.6	Confident	88.5	Confident	21 Å²	21	30.3 Å²	30.3	13%	0.127	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.9	160.4	-175.6	0	0	0	0	107.9	R290 E366 R367 F369	R290-V436 VanDerWaalsContact NH2-CG1 3.29Å; E366-V436 PolarHBondContact N-O 2.98Å; E366-V436 VanDerWaalsContact OE2-CG1 3.29Å; E366-V436 WeakPolarHBondContact OE2-CG1 3.47Å; R367-V436 HydrophobicContact CG-CB 3.94Å; R367-V436 HydrophobicContact CG-CG2 4.05Å; R367-V436 PolarHBondContact O-N 3.13Å; F369-V436 HydrophobicContact CD1-CG2 3.7Å; F369-V436 HydrophobicContact CE1-CG2 3.94Å
437	I	88.9	Confident	89	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.2	-173.2	-56.7	-173.6	0	0	0	109.1	R290 F314 L363 I365 L435 V440 V444 F446	R290-I437 PolarHBondContact NH2-O 3.49Å; F314-I437 HydrophobicContact CZ-CD1 4.34Å; L363-I437 HydrophobicContact CB-CG2 3.49Å; L363-I437 VanDerWaalsContact CB-CG2 3.49Å; L363-I437 HydrophobicContact CD1-CG2 4.12Å; L363-I437 HydrophobicContact CG-CG2 4.41Å; I365-I437 HydrophobicContact CG1-CG1 4.43Å; L435-I437 HydrophobicContact CB-CG1 4.07Å; I437-V440 HydrophobicContact CB-CB 4.36Å; I437-V440 HydrophobicContact CB-CG2 3.95Å; I437-V440 HydrophobicContact CG2-CG2 3.87Å; I437-V440 WeakPolarHBondContact O-CB 3.32Å; I437-V440 PolarHBondContact O-N 2.83Å; I437-V444 HydrophobicContact CD1-CB 3.92Å; I437-V444 HydrophobicContact CD1-CG1 4.39Å; I437-V444 HydrophobicContact CD1-CG2 3.89Å; I437-V444 HydrophobicContact CG1-CG2 4.39Å; I437-F446 HydrophobicContact CD1-CE2 4.43Å
438	T	80.5	Confident	89.3	Confident	28 Å²	28	29 Å²	29	17%	0.172	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	146.6	-178.7	-50	0	0	0	0	111.4	A364 E366 V440	A364-T438 PolarHBondContact O-N 2.73Å; A364-T438 PolarHBondContact O-OG1 3.03Å; A364-T438 VanDerWaalsContact O-OG1 3.05Å; E366-T438 VanDerWaalsContact CD-OG1 3.26Å; E366-T438 WeakPolarHBondContact CG-OG1 3.34Å; E366-T438 VanDerWaalsContact OE1-CA 3.25Å; E366-T438 WeakPolarHBondContact OE1-CA 3.5Å; E366-T438 VanDerWaalsContact OE1-CB 3.3Å; E366-T438 WeakPolarHBondContact OE1-CB 3.32Å; E366-T438 WeakPolarHBondContact OE1-CG2 3.29Å; E366-T438 PolarHBondContact OE1-OG1 2.58Å; T438-V440 PolarHBondContact O-N 2.82Å
439	E	80.7	Confident	89.4	Confident	51 Å²	51	28.5 Å²	28.5	24%	0.238	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	-15.3	-173.5	-56.1	178.7	-175.4	0	0	115.6	K361 L494 Y495	K361-E439 IonicContact NZ-OE1 2.65Å; K361-E439 PolarHBondContact NZ-OE1 2.91Å; K361-E439 IonicContact NZ-OE2 2.74Å; K361-E439 PolarHBondContact NZ-OE2 2.9Å; E439-L494 CarbonylContact O-C 3.48Å; E439-L494 WeakPolarHBondContact O-CA 3.44Å; E439-L494 WeakPolarHBondContact O-CD1 3.41Å; E439-Y495 HydrophobicContact CB-CD2 3.85Å; E439-Y495 HydrophobicContact CB-CE2 4.18Å; E439-Y495 PolarHBondContact O-N 2.86Å; E439-Y495 WeakPolarHBondContact OE2-CE2 3.12Å
440	V	84	Confident	89.3	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.006	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-81.5	141	169.8	-166.2	0	0	0	0	110.2	R290 L363 I437 T438 E442 V444 L478 Y495 V497	R290-V440 PolarHBondContact NH1-O 3.05Å; R290-V440 PolarHBondContact NH2-O 3.35Å; L363-V440 HydrophobicContact CD1-CG2 4.31Å; I437-V440 HydrophobicContact CB-CB 4.36Å; I437-V440 HydrophobicContact CB-CG2 3.95Å; I437-V440 HydrophobicContact CG2-CG2 3.87Å; I437-V440 WeakPolarHBondContact O-CB 3.32Å; I437-V440 PolarHBondContact O-N 2.83Å; T438-V440 PolarHBondContact O-N 2.82Å; V440-E442 WeakPolarHBondContact CG1-O 3.29Å; V440-V444 HydrophobicContact CG1-CG2 4.45Å; V440-L478 HydrophobicContact CG1-CD2 4.15Å; V440-L478 HydrophobicContact CG2-CD1 3.86Å; V440-L478 HydrophobicContact CG2-CD2 4.35Å; V440-Y495 WeakPolarHBondContact CA-O 3.38Å; V440-V497 HydrophobicContact CG1-CG2 3.54Å
441	E	78.5	Confident	89.1	Confident	110 Å²	110	31.9 Å²	31.9	51%	0.514	16%	0.156	S	C	.	.	S	Bend	trans	-80	-45.7	176.6	-175.4	154.2	-136.4	0	0	112.4	M481 L494 Y495	E441-M481 WeakPolarHBondContact OE2-CE 3.49Å; E441-M481 VanDerWaalsContact OE2-SD 3.41Å; E441-L494 HydrophobicContact CB-CD2 4.03Å; E441-L494 HydrophobicContact CB-CG 4.24Å; E441-L494 HydrophobicContact CG-CD2 4.3Å; E441-Y495 PolarHBondContact N-O 2.93Å
442	E	82.7	Confident	88.8	Confident	115 Å²	115	31.9 Å²	31.9	54%	0.537	16%	0.156	S	C	.	.	S	Bend	trans	-95	152.5	-177.5	-63.8	-161	143.2	0	0	113.6	V440 V497	V440-E442 WeakPolarHBondContact CG1-O 3.29Å; E442-V497 HydrophobicContact CB-CG2 4.15Å
443	P	85.8	Confident	88.5	Confident	77 Å²	77	33.9 Å²	33.9	50%	0.5	16%	0.164	S	C	.	.			trans	-70.2	142.1	172.8	29.3	-34.3	0	0	0	112.3	F369 L435	F369-P443 HydrophobicContact CE1-CB 3.43Å; F369-P443 VanDerWaalsContact CE1-CB 3.43Å; F369-P443 HydrophobicContact CE1-CG 4.45Å; F369-P443 HydrophobicContact CZ-CB 3.53Å; F369-P443 HydrophobicContact CZ-CG 4.1Å; L435-P443 CarbonylContact O-C 3.42Å; L435-P443 WeakPolarHBondContact O-CA 3.41Å
444	V	90.4	Very high	88.1	Confident	4 Å²	4	33.9 Å²	33.9	2%	0.024	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.6	-177.4	-175.6	0	0	0	0	110	L435 I437 V440 F446 L476 V497 L500	L435-V444 PolarHBondContact N-O 3.47Å; L435-V444 PolarHBondContact O-N 3.43Å; I437-V444 HydrophobicContact CD1-CB 3.92Å; I437-V444 HydrophobicContact CD1-CG1 4.39Å; I437-V444 HydrophobicContact CD1-CG2 3.89Å; I437-V444 HydrophobicContact CG1-CG2 4.39Å; V440-V444 HydrophobicContact CG1-CG2 4.45Å; V444-F446 HydrophobicContact CB-CE2 4.22Å; V444-F446 HydrophobicContact CG1-CD2 4.2Å; V444-F446 HydrophobicContact CG1-CE1 4.31Å; V444-F446 HydrophobicContact CG1-CE2 3.56Å; V444-F446 HydrophobicContact CG1-CZ 3.65Å; V444-L476 HydrophobicContact CG1-CD1 4.04Å; V444-L476 HydrophobicContact CG1-CD2 4.42Å; V444-L476 HydrophobicContact CG2-CD1 4.21Å; V444-L476 HydrophobicContact CG2-CD2 4.21Å; V444-V497 HydrophobicContact CG2-CG2 4.3Å; V444-L500 HydrophobicContact CG1-CD1 4.44Å; V444-L500 HydrophobicContact CG1-CD2 3.87Å
445	R	93.6	Very high	87.6	Confident	63 Å²	63	34 Å²	34	24%	0.238	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	111.3	178.9	169.2	170.9	-74.7	-162.8	-5.6	110.7	N381 A432 V433 D434 L447 L500	N381-R445 PolarHBondContact OD1-NH1 2.91Å; A432-R445 HydrophobicContact CB-CG 4.31Å; V433-R445 WeakPolarHBondContact O-CA 3.41Å; D434-R445 WeakPolarHBondContact OD1-CB 3.27Å; D434-R445 VanDerWaalsContact OD1-CG 3.3Å; D434-R445 WeakPolarHBondContact OD1-CG 3.33Å; D434-R445 IonicContact OD1-CZ 3.73Å; D434-R445 IonicContact OD1-NE 3.59Å; D434-R445 PolarHBondContact OD1-NE 3.46Å; D434-R445 IonicContact OD1-NH2 3.45Å; D434-R445 PolarHBondContact OD1-NH2 2.64Å; D434-R445 IonicContact OD2-CZ 2.76Å; D434-R445 IonicContact OD2-NE 3.77Å; D434-R445 IonicContact OD2-NH2 2.7Å; D434-R445 PolarHBondContact OD2-NH2 2.65Å; R445-L447 HydrophobicContact CG-CD1 4.26Å; R445-L447 HydrophobicContact CG-CG 4.04Å; R445-L500 WeakPolarHBondContact O-CD2 3.49Å
446	F	94.8	Very high	87	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	133.1	172.1	-58.8	-92.4	0	0	0	110.1	F314 V316 A432 V433 L435 I437 V444 F474 L500	F314-F446 HydrophobicContact CB-CE1 3.88Å; F314-F446 HydrophobicContact CB-CZ 4.19Å; F314-F446 HydrophobicContact CD1-CZ 4.38Å; F314-F446 HydrophobicContact CD2-CE1 4.23Å; F314-F446 HydrophobicContact CD2-CZ 4.08Å; F314-F446 HydrophobicContact CG-CE1 4.11Å; F314-F446 AromaticContact CG-CZ 3.97Å; F314-F446 HydrophobicContact CG-CZ 3.97Å; V316-F446 HydrophobicContact CG2-CB 4.33Å; V316-F446 HydrophobicContact CG2-CD1 3.82Å; V316-F446 HydrophobicContact CG2-CE1 4.3Å; V316-F446 HydrophobicContact CG2-CG 4.08Å; A432-F446 CarbonylContact C-O 3.53Å; A432-F446 WeakPolarHBondContact CA-O 3.45Å; V433-F446 HydrophobicContact CG1-CB 3.79Å; V433-F446 HydrophobicContact CG1-CD2 4.36Å; V433-F446 PolarHBondContact N-O 2.77Å; V433-F446 PolarHBondContact O-N 2.92Å; L435-F446 HydrophobicContact CD1-CD2 3.86Å; L435-F446 HydrophobicContact CD1-CE2 3.53Å; L435-F446 HydrophobicContact CG-CD2 4.27Å; L435-F446 HydrophobicContact CG-CE2 4.23Å; I437-F446 HydrophobicContact CD1-CE2 4.43Å; V444-F446 HydrophobicContact CB-CE2 4.22Å; V444-F446 HydrophobicContact CG1-CD2 4.2Å; V444-F446 HydrophobicContact CG1-CE1 4.31Å; V444-F446 HydrophobicContact CG1-CE2 3.56Å; V444-F446 HydrophobicContact CG1-CZ 3.65Å; F446-F474 HydrophobicContact CB-CE1 4.44Å; F446-F474 HydrophobicContact CB-CE2 4.32Å; F446-F474 HydrophobicContact CB-CZ 4.19Å; F446-F474 HydrophobicContact CD1-CB 3.83Å; F446-F474 AromaticContact CD1-CD1 3.84Å; F446-F474 HydrophobicContact CD1-CD1 3.84Å; F446-F474 AromaticContact CD1-CD2 3.76Å; F446-F474 HydrophobicContact CD1-CD2 3.76Å; F446-F474 HydrophobicContact CD1-CE1 4.29Å; F446-F474 HydrophobicContact CD1-CE2 4.22Å; F446-F474 AromaticContact CD1-CG 3.55Å; F446-F474 HydrophobicContact CD1-CG 3.55Å; F446-F474 HydrophobicContact CD1-CZ 4.46Å; F446-F474 HydrophobicContact CE1-CB 3.8Å; F446-F474 HydrophobicContact CE1-CD2 4.47Å; F446-F474 HydrophobicContact CE1-CG 4.07Å; F446-L500 HydrophobicContact CD1-CD1 4.24Å; F446-L500 HydrophobicContact CD1-CD2 4.23Å; F446-L500 HydrophobicContact CE1-CD1 3.87Å; F446-L500 HydrophobicContact CE1-CD2 4.46Å
447	L	93.4	Very high	86.1	Confident	76 Å²	76	37.9 Å²	37.9	40%	0.398	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116.3	-171.9	-82.4	158.9	0	0	0	111.6	T430 A432 R445 F474	T430-L447 HydrophobicContact CG2-CD2 3.69Å; A432-L447 HydrophobicContact CB-CD2 3.64Å; A432-L447 HydrophobicContact CB-CG 4.4Å; R445-L447 HydrophobicContact CG-CD1 4.26Å; R445-L447 HydrophobicContact CG-CG 4.04Å; L447-F474 WeakPolarHBondContact O-CZ 3.46Å
448	L	93.2	Very high	84.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	114.1	178.9	-54.1	103	0	0	0	110.5	V316 L318 I353 T430 T431 Y470 E472	V316-L448 HydrophobicContact CB-CD2 4.44Å; V316-L448 HydrophobicContact CG1-CD1 3.87Å; V316-L448 HydrophobicContact CG1-CD2 4.01Å; V316-L448 HydrophobicContact CG1-CG 4.41Å; L318-L448 HydrophobicContact CB-CD2 4.07Å; L318-L448 HydrophobicContact CD2-CB 4.38Å; I353-L448 HydrophobicContact CD1-CD1 4.41Å; T430-L448 WeakPolarHBondContact CA-O 3.09Å; T431-L448 PolarHBondContact N-O 3.22Å; T431-L448 PolarHBondContact O-N 3.37Å; L448-Y470 HydrophobicContact CB-CD1 4.47Å; L448-Y470 HydrophobicContact CD2-CD1 3.9Å; L448-Y470 HydrophobicContact CD2-CE1 4.24Å; L448-E472 HydrophobicContact CD2-CB 4.06Å
449	E	91.9	Very high	84.2	Confident	36 Å²	36	45.2 Å²	45.2	17%	0.168	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	129.2	170.7	-62	-160	141.5	0	0	111.1	R377 N378	R377-E449 WeakPolarHBondContact CA-OE1 3.34Å; R377-E449 WeakPolarHBondContact CB-OE1 3.15Å; R377-E449 IonicContact CZ-OE2 3.36Å; R377-E449 IonicContact NE-OE2 3.08Å; R377-E449 PolarHBondContact NE-OE2 3.43Å; R377-E449 IonicContact NH2-OE2 2.79Å; R377-E449 PolarHBondContact NH2-OE2 3.14Å; N378-E449 PolarHBondContact N-OE1 3.35Å
450	T	90.1	Very high	82.7	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.4	-179.2	63.3	0	0	0	0	112.8	L318 F341 Y428 M429 Y470	L318-T450 HydrophobicContact CD2-CG2 3.78Å; F341-T450 HydrophobicContact CE2-CG2 4.07Å; Y428-T450 CarbonylContact C-O 3.47Å; Y428-T450 WeakPolarHBondContact CA-O 3.47Å; M429-T450 PolarHBondContact N-O 2.89Å; M429-T450 PolarHBondContact O-N 3.08Å; M429-T450 PolarHBondContact O-OG1 3.2Å; T450-Y470 HydrophobicContact CG2-CD1 3.88Å; T450-Y470 HydrophobicContact CG2-CD2 3.75Å; T450-Y470 HydrophobicContact CG2-CE1 4.35Å; T450-Y470 HydrophobicContact CG2-CE2 4.25Å; T450-Y470 HydrophobicContact CG2-CG 3.58Å
451	R	88.8	Confident	81	Confident	73 Å²	73	59.5 Å²	59.5	28%	0.275	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	132.8	169.6	-73.9	-178.7	173.5	173.5	-5.2	108.8	S340 F341 F426 Y428	S340-R451 CarbonylContact C-O 3.5Å; S340-R451 WeakPolarHBondContact CA-O 3.38Å; F341-R451 PolarHBondContact N-O 3.49Å; F426-R451 HydrophobicContact CD2-CB 4.44Å; F426-R451 HydrophobicContact CD2-CG 3.95Å; F426-R451 HydrophobicContact CE2-CG 4.15Å; Y428-R451 HydrophobicContact CD1-CG 3.86Å; Y428-R451 HydrophobicContact CE1-CB 4.49Å; Y428-R451 HydrophobicContact CE1-CG 3.32Å; Y428-R451 PolarHBondContact OH-NE 3.23Å; Y428-R451 VanDerWaalsContact OH-NE 3.16Å; Y428-R451 PolarHBondContact OH-NH2 3.45Å
452	V	88.5	Confident	79.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	142.1	179.8	173.1	0	0	0	0	109.3	F341 L343 F426 M427 M429 V454	F341-V452 HydrophobicContact CB-CG2 4.5Å; L343-V452 HydrophobicContact CD1-CG1 3.59Å; L343-V452 HydrophobicContact CG-CG1 3.98Å; F426-V452 WeakPolarHBondContact CA-O 3.29Å; F426-V452 WeakPolarHBondContact CB-O 3.31Å; M427-V452 HydrophobicContact CG-CB 3.91Å; M427-V452 HydrophobicContact CG-CG1 4.18Å; M427-V452 PolarHBondContact N-O 2.66Å; M427-V452 PolarHBondContact O-N 3.12Å; M427-V452 HydrophobicContact SD-CG1 4.41Å; M429-V452 HydrophobicContact CB-CB 4.41Å; M429-V452 HydrophobicContact CB-CG2 3.59Å; M429-V452 HydrophobicContact CE-CG2 4.06Å; M429-V452 HydrophobicContact CG-CG2 4.45Å; M429-V452 HydrophobicContact SD-CG2 4.02Å; V452-V454 HydrophobicContact CG1-CG2 4.36Å
453	R	86.8	Confident	78	Confident	41 Å²	41	62 Å²	62	16%	0.155	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	120.4	165.3	-179.7	179.6	-72.4	-176.1	-7.9	107.9	F341 K342 L343 T421 K423 D424 K425	F341-R453 PolarHBondContact O-N 3.35Å; K342-R453 CarbonylContact C-O 3.6Å; K342-R453 WeakPolarHBondContact CA-O 3.39Å; L343-R453 PolarHBondContact N-O 3.08Å; T421-R453 HydrophobicContact CG2-CG 4.49Å; K423-R453 PolarHBondContact O-NH1 2.85Å; K423-R453 PolarHBondContact O-NH2 3.36Å; D424-R453 PolarHBondContact O-NH2 2.76Å; K425-R453 VanDerWaalsContact O-CZ 3.23Å; K425-R453 PolarHBondContact O-NE 3.36Å; K425-R453 PolarHBondContact O-NH2 3.2Å
454	V	87.1	Confident	76	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128.4	169.9	-172.6	0	0	0	0	107.8	L343 A345 V417 E419 T421 M427 V452	L343-V454 CarbonylContact O-C 3.53Å; L343-V454 WeakPolarHBondContact O-CA 3.34Å; A345-V454 HydrophobicContact CB-CG1 3.82Å; V417-V454 WeakPolarHBondContact O-CG2 3.45Å; E419-V454 WeakPolarHBondContact O-CB 3.33Å; T421-V454 PolarHBondContact N-O 2.7Å; T421-V454 PolarHBondContact OG1-N 3.22Å; M427-V454 HydrophobicContact SD-CG2 4.37Å; V452-V454 HydrophobicContact CG1-CG2 4.36Å
455	C	82.6	Confident	73.9	Confident	16 Å²	16	67.4 Å²	67.4	11%	0.108	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	154.9	178.3	-62.8	0	0	0	0	110.6	L343 A345 F462	L343-C455 PolarHBondContact O-N 2.95Å; A345-C455 PolarHBondContact N-O 2.64Å; C455-F462 HydrophobicContact CB-CE2 4.37Å; C455-F462 HydrophobicContact CB-CZ 4.17Å
456	S	78.8	Confident	72.1	Confident	30 Å²	30	66.4 Å²	66.4	21%	0.21	32%	0.323	C	S	.	.			trans	-52.9	135.9	167.1	-168.1	0	0	0	0	111	E420 N458 D459	E420-S456 VanDerWaalsContact OE1-CB 3.28Å; E420-S456 WeakPolarHBondContact OE1-CB 3.3Å; E420-S456 PolarHBondContact OE1-N 2.81Å; E420-S456 WeakPolarHBondContact OE2-CB 3.25Å; S456-N458 PolarHBondContact O-N 2.96Å; S456-D459 PolarHBondContact O-N 2.87Å; S456-D459 VanDerWaalsContact O-N 3.11Å
457	P	67.5	Low	70.6	Confident	71 Å²	71	72.5 Å²	72.5	46%	0.461	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-17.5	171.6	-27.6	36.7	0	0	0	114.4	A345	A345-P457 WeakPolarHBondContact O-CG 3.29Å
458	N	63.6	Low	69.3	Low	142 Å²	142	77.5 Å²	77.5	76%	0.759	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-1.6	-179.1	-67.9	-55.6	0	0	0	114.8	S456 R460	S456-N458 PolarHBondContact O-N 2.96Å; N458-R460 PolarHBondContact O-N 2.81Å
459	D	65.4	Low	68.7	Low	40 Å²	40	79.5 Å²	79.5	21%	0.214	38%	0.377	C	S	.	.			trans	-72.3	130.9	-177.3	-155.2	-20.6	0	0	0	111.9	K423 S456 L461	K423-D459 IonicContact NZ-OD1 2.66Å; K423-D459 IonicContact NZ-OD2 3.26Å; K423-D459 PolarHBondContact NZ-OD2 3.46Å; S456-D459 PolarHBondContact O-N 2.87Å; S456-D459 VanDerWaalsContact O-N 3.11Å; D459-L461 PolarHBondContact O-N 3.23Å; D459-L461 VanDerWaalsContact O-N 3.1Å
460	R	49.7	Very low	68.4	Low	229 Å²	229	79.6 Å²	79.6	86%	0.864	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	11.5	-168.3	-67.3	-174	172.6	-164.1	-2.2	114.4	N458	N458-R460 PolarHBondContact O-N 2.81Å
461	L	47.7	Very low	68.4	Low	123 Å²	123	82.8 Å²	82.8	64%	0.644	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	6.4	-167.9	-79	162.2	0	0	0	115.3	D459 W463	D459-L461 PolarHBondContact O-N 3.23Å; D459-L461 VanDerWaalsContact O-N 3.1Å; L461-W463 PolarHBondContact O-N 2.97Å
462	F	54.1	Low	68.5	Low	81 Å²	81	79.6 Å²	79.6	36%	0.355	38%	0.384	S	S	.	.			trans	-76.4	57.3	174.5	-71.6	-84.7	0	0	0	113.4	K342 R344 C455	K342-F462 HydrophobicContact CB-CE1 4.12Å; R344-F462 HydrophobicContact CG-CE1 4.12Å; R344-F462 HydrophobicContact CG-CE2 3.94Å; R344-F462 HydrophobicContact CG-CZ 3.51Å; C455-F462 HydrophobicContact CB-CE2 4.37Å; C455-F462 HydrophobicContact CB-CZ 4.17Å
463	W	43.8	Very low	68.7	Low	196 Å²	196	80.7 Å²	80.7	74%	0.742	39%	0.39	S	S	*	.			trans	-87.4	166	167.1	-81	93.7	0	0	0	110.9	L461 F465	L461-W463 PolarHBondContact O-N 2.97Å; W463-F465 WeakPolarHBondContact O-CD2 3.05Å; W463-F465 PolarHBondContact O-N 3Å
464	P	44.1	Very low	69.1	Low	123 Å²	123	78.9 Å²	78.9	80%	0.799	38%	0.384	S	S	*	.			trans	-80	80.2	-156.5	31.6	-37.2	0	0	0	113.9
465	F	47	Very low	69.3	Low	73 Å²	73	80.7 Å²	80.7	32%	0.32	39%	0.391	S	S	.	.			trans	-68	164.1	161.1	-59	-81.4	0	0	0	110.9	A333 K334 W463 K467	A333-F465 HydrophobicContact CB-CB 4.35Å; K334-F465 WeakPolarHBondContact O-CB 3.33Å; W463-F465 WeakPolarHBondContact O-CD2 3.05Å; W463-F465 PolarHBondContact O-N 3Å; F465-K467 PolarHBondContact O-N 3.2Å; F465-K467 VanDerWaalsContact O-N 3.15Å
466	S	54.8	Low	69.8	Low	41 Å²	41	80 Å²	80	29%	0.287	39%	0.386	S	S	.	.			trans	-68.8	115.8	-172.1	-161.2	0	0	0	0	110.9	R468	S466-R468 PolarHBondContact O-N 3.33Å; S466-R468 WeakPolarHBondContact OG-CG 3.09Å; S466-R468 PolarHBondContact OG-NE 2.7Å; S466-R468 VanDerWaalsContact OG-NE 3.17Å
467	K	64.4	Low	70.3	Confident	129 Å²	129	82.3 Å²	82.3	56%	0.561	39%	0.392	S	S	*	.			trans	-66.4	99.3	164.2	-65.9	-176.1	173.4	-144.3	0	108.1	A331 F465	A331-K467 HydrophobicContact CB-CD 4.23Å; A331-K467 WeakPolarHBondContact O-CE 3.3Å; A331-K467 PolarHBondContact O-NZ 2.82Å; F465-K467 PolarHBondContact O-N 3.2Å; F465-K467 VanDerWaalsContact O-N 3.15Å
468	R	65.7	Low	71.3	Confident	180 Å²	180	78.9 Å²	78.9	68%	0.679	37%	0.37	S	S	*	.			trans	-138.3	139.7	177.3	-75.2	179.2	-174.8	-155.7	-3.3	108.3	S466	S466-R468 PolarHBondContact O-N 3.33Å; S466-R468 WeakPolarHBondContact OG-CG 3.09Å; S466-R468 PolarHBondContact OG-NE 2.7Å; S466-R468 VanDerWaalsContact OG-NE 3.17Å
469	S	79.5	Confident	72.3	Confident	42 Å²	42	78.5 Å²	78.5	29%	0.294	36%	0.358	S	S	.	.			trans	-59.2	158.6	165.5	52.1	0	0	0	0	111.2	L318 T471	L318-S469 CarbonylContact O-C 3.59Å; L318-S469 VanDerWaalsContact O-CA 3.26Å; L318-S469 WeakPolarHBondContact O-CA 3.32Å; L318-S469 WeakPolarHBondContact O-CB 3.44Å; S469-T471 PolarHBondContact OG-OG1 2.88Å
470	Y	86.3	Confident	73.1	Confident	39 Å²	39	81.8 Å²	81.8	15%	0.153	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	144	149	-174.4	-90.2	0	0	0	107.6	S317 L318 L448 T450 E472	S317-Y470 CarbonylContact C-O 3.09Å; S317-Y470 WeakPolarHBondContact CA-O 3.17Å; L318-Y470 PolarHBondContact N-O 3.3Å; L318-Y470 PolarHBondContact O-N 2.99Å; L448-Y470 HydrophobicContact CB-CD1 4.47Å; L448-Y470 HydrophobicContact CD2-CD1 3.9Å; L448-Y470 HydrophobicContact CD2-CE1 4.24Å; T450-Y470 HydrophobicContact CG2-CD1 3.88Å; T450-Y470 HydrophobicContact CG2-CD2 3.75Å; T450-Y470 HydrophobicContact CG2-CE1 4.35Å; T450-Y470 HydrophobicContact CG2-CE2 4.25Å; T450-Y470 HydrophobicContact CG2-CG 3.58Å; Y470-E472 HydrophobicContact CE1-CB 3.95Å; Y470-E472 WeakPolarHBondContact CE1-OE2 3.3Å; Y470-E472 PolarHBondContact OH-OE2 3.4Å
471	T	89.4	Confident	74.2	Confident	70 Å²	70	74.3 Å²	74.3	43%	0.429	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	133.1	-178.6	-63.6	0	0	0	0	108.6	T315 V316 S317 S469	T315-T471 HydrophobicContact CG2-CG2 3.51Å; V316-T471 WeakPolarHBondContact O-CA 3.32Å; S317-T471 WeakPolarHBondContact CB-OG1 3.38Å; S317-T471 VanDerWaalsContact OG-CG2 3.29Å; S317-T471 WeakPolarHBondContact OG-CG2 3.37Å; S317-T471 PolarHBondContact OG-OG1 2.97Å; S469-T471 PolarHBondContact OG-OG1 2.88Å
472	E	91.1	Very high	74.6	Confident	6 Å²	6	77.4 Å²	77.4	3%	0.028	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	134.7	-173.7	-170.4	70.2	-124.6	0	0	108	V316 L448 Y470 F474 E503 T504	V316-E472 PolarHBondContact N-O 2.8Å; V316-E472 PolarHBondContact O-N 2.85Å; L448-E472 HydrophobicContact CD2-CB 4.06Å; Y470-E472 HydrophobicContact CE1-CB 3.95Å; Y470-E472 WeakPolarHBondContact CE1-OE2 3.3Å; Y470-E472 PolarHBondContact OH-OE2 3.4Å; E472-F474 HydrophobicContact CB-CD2 4.36Å; E472-F474 HydrophobicContact CB-CE2 3.74Å; E472-F474 HydrophobicContact CB-CZ 4.4Å; E472-F474 HydrophobicContact CG-CD2 4.08Å; E472-F474 HydrophobicContact CG-CE2 3.47Å; E472-F474 VanDerWaalsContact CG-CE2 3.47Å; E472-F474 HydrophobicContact CG-CZ 3.77Å; E472-E503 PolarHBondContact OE1-N 3.38Å; E472-T504 WeakPolarHBondContact OE1-CB 3.46Å; E472-T504 WeakPolarHBondContact OE1-CG2 3.22Å; E472-T504 PolarHBondContact OE1-N 2.86Å; E472-T504 PolarHBondContact OE1-OG1 3.44Å; E472-T504 WeakPolarHBondContact OE2-CG2 3.41Å; E472-T504 PolarHBondContact OE2-OG1 2.74Å
473	T	94.2	Very high	74.4	Confident	22 Å²	22	83.7 Å²	83.7	14%	0.135	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	145	170.3	-43.9	0	0	0	0	108.9	T313 F314 Y475 S502 E503	T313-T473 HydrophobicContact CG2-CG2 3.33Å; F314-T473 CarbonylContact O-C 3.57Å; T473-Y475 HydrophobicContact CG2-CE2 4.36Å; T473-S502 CarbonylContact O-C 3.37Å; T473-S502 WeakPolarHBondContact O-CA 3.34Å; T473-E503 WeakPolarHBondContact CB-OE2 2.9Å; T473-E503 WeakPolarHBondContact O-CB 3.35Å; T473-E503 PolarHBondContact O-N 2.78Å; T473-E503 PolarHBondContact OG1-OE2 3.27Å
474	F	93.9	Very high	74.4	Confident	4 Å²	4	83.7 Å²	83.7	2%	0.018	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.7	177.7	-72.7	-96.3	0	0	0	110.4	T313 F314 V316 F446 L447 E472 L500 E501	T313-F474 CarbonylContact C-O 3.56Å; T313-F474 WeakPolarHBondContact CA-O 3.36Å; F314-F474 PolarHBondContact N-O 3.01Å; F314-F474 PolarHBondContact O-N 3.48Å; V316-F474 HydrophobicContact CB-CD2 3.99Å; V316-F474 HydrophobicContact CB-CE2 3.84Å; V316-F474 HydrophobicContact CG2-CD2 3.65Å; V316-F474 HydrophobicContact CG2-CE2 3.92Å; F446-F474 HydrophobicContact CB-CE1 4.44Å; F446-F474 HydrophobicContact CB-CE2 4.32Å; F446-F474 HydrophobicContact CB-CZ 4.19Å; F446-F474 HydrophobicContact CD1-CB 3.83Å; F446-F474 AromaticContact CD1-CD1 3.84Å; F446-F474 HydrophobicContact CD1-CD1 3.84Å; F446-F474 AromaticContact CD1-CD2 3.76Å; F446-F474 HydrophobicContact CD1-CD2 3.76Å; F446-F474 HydrophobicContact CD1-CE1 4.29Å; F446-F474 HydrophobicContact CD1-CE2 4.22Å; F446-F474 AromaticContact CD1-CG 3.55Å; F446-F474 HydrophobicContact CD1-CG 3.55Å; F446-F474 HydrophobicContact CD1-CZ 4.46Å; F446-F474 HydrophobicContact CE1-CB 3.8Å; F446-F474 HydrophobicContact CE1-CD2 4.47Å; F446-F474 HydrophobicContact CE1-CG 4.07Å; L447-F474 WeakPolarHBondContact O-CZ 3.46Å; E472-F474 HydrophobicContact CB-CD2 4.36Å; E472-F474 HydrophobicContact CB-CE2 3.74Å; E472-F474 HydrophobicContact CB-CZ 4.4Å; E472-F474 HydrophobicContact CG-CD2 4.08Å; E472-F474 HydrophobicContact CG-CE2 3.47Å; E472-F474 VanDerWaalsContact CG-CE2 3.47Å; E472-F474 HydrophobicContact CG-CZ 3.77Å; F474-L500 HydrophobicContact CB-CD1 4.04Å; F474-L500 HydrophobicContact CD1-CD1 4.19Å; F474-L500 HydrophobicContact CD1-CG 4.27Å; F474-E501 CarbonylContact C-O 3.58Å; F474-E501 WeakPolarHBondContact CA-O 3.25Å
475	Y	92.7	Very high	74.2	Confident	38 Å²	38	86.6 Å²	86.6	15%	0.149	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	96.7	-177.4	-62.7	-82.9	0	0	0	107.9	L311 T313 T473 L500 E501 E503	L311-Y475 HydrophobicContact CD2-CD1 4.2Å; T313-Y475 HydrophobicContact CG2-CD1 4.17Å; T313-Y475 HydrophobicContact CG2-CE1 3.93Å; T473-Y475 HydrophobicContact CG2-CE2 4.36Å; Y475-L500 WeakPolarHBondContact O-CA 3.39Å; Y475-E501 PolarHBondContact N-O 2.88Å; Y475-E501 PolarHBondContact O-N 3.35Å; Y475-E503 HydrophobicContact CE2-CB 4.19Å; Y475-E503 HydrophobicContact CE2-CG 4.48Å; Y475-E503 PolarHBondContact OH-OE1 2.79Å
476	L	92.4	Very high	73.8	Confident	0 Å²	0	94.4 Å²	94.4	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	117.6	176.6	178.7	67.8	0	0	0	108.6	F312 F314 V444 L478 V497 L500	F312-L476 HydrophobicContact CB-CB 4.4Å; F312-L476 PolarHBondContact N-O 2.7Å; F312-L476 PolarHBondContact O-N 2.74Å; F314-L476 HydrophobicContact CD2-CB 4.25Å; F314-L476 HydrophobicContact CE2-CB 4.11Å; F314-L476 HydrophobicContact CE2-CD2 3.8Å; F314-L476 HydrophobicContact CZ-CD2 4.5Å; V444-L476 HydrophobicContact CG1-CD1 4.04Å; V444-L476 HydrophobicContact CG1-CD2 4.42Å; V444-L476 HydrophobicContact CG2-CD1 4.21Å; V444-L476 HydrophobicContact CG2-CD2 4.21Å; L476-L478 HydrophobicContact CD1-CD2 4.07Å; L476-L478 HydrophobicContact CD2-CD1 4.19Å; L476-L478 HydrophobicContact CD2-CD2 3.97Å; L476-L478 HydrophobicContact CD2-CG 4.13Å; L476-L478 HydrophobicContact CG-CD2 3.84Å; L476-L478 HydrophobicContact CG-CG 4.02Å; L476-V497 HydrophobicContact CD1-CG1 3.9Å; L476-L500 HydrophobicContact CB-CD1 3.87Å; L476-L500 HydrophobicContact CD1-CB 4.22Å; L476-L500 HydrophobicContact CD1-CD1 4.05Å
477	K	89.9	Confident	73.2	Confident	79 Å²	79	103.1 Å²	103.1	34%	0.343	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.4	173	-167.7	-178.9	178.7	-176.7	0	110.1	D310 L311 V498 S499	D310-K477 HydrophobicContact CB-CD 4.49Å; D310-K477 HydrophobicContact CB-CG 3.87Å; D310-K477 CarbonylContact O-C 3.57Å; D310-K477 WeakPolarHBondContact O-CA 3.18Å; D310-K477 WeakPolarHBondContact OD2-CE 3.39Å; L311-K477 HydrophobicContact CD1-CB 4.04Å; L311-K477 HydrophobicContact CD1-CG 4.48Å; K477-V498 HydrophobicContact CB-CB 4.26Å; K477-V498 HydrophobicContact CD-CB 4.28Å; K477-V498 HydrophobicContact CD-CG1 4.07Å; K477-V498 HydrophobicContact CG-CB 4.15Å; K477-V498 HydrophobicContact CG-CG1 4.49Å; K477-V498 PolarHBondContact O-N 2.79Å; K477-S499 PolarHBondContact N-O 3.16Å; K477-S499 PolarHBondContact O-N 3.41Å
478	L	87.9	Confident	71.8	Confident	0 Å²	0	100.9 Å²	100.9	0%	0	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.6	-176.3	-65.2	-174.5	0	0	0	111.2	D310 F312 L363 V440 L476 Y495 E496 V497	D310-L478 VanDerWaalsContact CB-O 3.25Å; D310-L478 WeakPolarHBondContact CB-O 3.37Å; D310-L478 PolarHBondContact O-N 2.78Å; F312-L478 HydrophobicContact CD2-CB 4.16Å; F312-L478 HydrophobicContact CD2-CD1 3.76Å; F312-L478 HydrophobicContact CD2-CG 3.96Å; F312-L478 HydrophobicContact CE2-CB 3.96Å; F312-L478 HydrophobicContact CE2-CD1 3.77Å; F312-L478 HydrophobicContact CE2-CG 4.14Å; F312-L478 HydrophobicContact CG-CD1 4.31Å; F312-L478 HydrophobicContact CZ-CD1 4.28Å; L363-L478 HydrophobicContact CD1-CD1 3.62Å; V440-L478 HydrophobicContact CG1-CD2 4.15Å; V440-L478 HydrophobicContact CG2-CD1 3.86Å; V440-L478 HydrophobicContact CG2-CD2 4.35Å; L476-L478 HydrophobicContact CD1-CD2 4.07Å; L476-L478 HydrophobicContact CD2-CD1 4.19Å; L476-L478 HydrophobicContact CD2-CD2 3.97Å; L476-L478 HydrophobicContact CD2-CG 4.13Å; L476-L478 HydrophobicContact CG-CD2 3.84Å; L476-L478 HydrophobicContact CG-CG 4.02Å; L478-Y495 HydrophobicContact CB-CD1 3.84Å; L478-Y495 HydrophobicContact CB-CG 4.18Å; L478-Y495 HydrophobicContact CD1-CD1 4.43Å; L478-Y495 HydrophobicContact CD1-CG 4.1Å; L478-E496 CarbonylContact C-O 3.59Å; L478-E496 VanDerWaalsContact CA-O 3.29Å; L478-E496 WeakPolarHBondContact CA-O 3.22Å; L478-V497 HydrophobicContact CD2-CB 4.4Å; L478-V497 HydrophobicContact CD2-CG2 3.89Å
479	R	84.4	Confident	70.9	Confident	133 Å²	133	99.1 Å²	99.1	50%	0.502	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.2	172.1	177.2	-173.1	-66	140.7	-9.7	109.8	Y495 E496 V498	R479-Y495 CarbonylContact O-C 3.51Å; R479-Y495 WeakPolarHBondContact O-CA 3.47Å; R479-E496 HydrophobicContact CB-CB 4.4Å; R479-E496 VanDerWaalsContact CD-OE2 3.3Å; R479-E496 WeakPolarHBondContact CD-OE2 3.27Å; R479-E496 IonicContact CZ-OE2 3.23Å; R479-E496 PolarHBondContact N-O 2.89Å; R479-E496 IonicContact NE-OE2 2.78Å; R479-E496 IonicContact NH1-OE1 3.93Å; R479-E496 IonicContact NH1-OE2 2.7Å; R479-E496 PolarHBondContact NH1-OE2 2.83Å; R479-E496 PolarHBondContact O-N 3.39Å; R479-V498 HydrophobicContact CB-CG2 3.54Å
480	Q	82	Confident	69	Low	109 Å²	109	101.7 Å²	101.7	51%	0.509	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.8	171.2	171.7	165.7	-7.2	0	0	111.8	T493 Y495	Q480-T493 HydrophobicContact CB-CG2 4.49Å; Q480-T493 HydrophobicContact CG-CG2 3.81Å; Q480-Y495 HydrophobicContact CB-CD1 4.29Å; Q480-Y495 HydrophobicContact CB-CE1 4.02Å
481	M	72	Confident	67.1	Low	73 Å²	73	104.8 Å²	104.8	36%	0.36	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127	179.1	-56.2	175.1	93.4	0	0	112.2	E441 R483 L494 E496	E441-M481 WeakPolarHBondContact OE2-CE 3.49Å; E441-M481 VanDerWaalsContact OE2-SD 3.41Å; M481-R483 PolarHBondContact O-N 2.95Å; M481-L494 PolarHBondContact N-O 2.89Å; M481-L494 HydrophobicContact SD-CD2 4.02Å; M481-L494 HydrophobicContact SD-CG 4.4Å; M481-E496 HydrophobicContact CG-CB 4.12Å; M481-E496 HydrophobicContact SD-CB 4.13Å
482	E	56.1	Low	65.3	Low	187 Å²	187	108.8 Å²	108.8	87%	0.874	53%	0.525	S	S	*	.			trans	-85.1	100.4	171.7	-71.8	-159.9	155.9	0	0	111.9	K484	E482-K484 PolarHBondContact O-N 2.86Å
483	R	50.9	Low	64.1	Low	213 Å²	213	109.9 Å²	109.9	80%	0.804	53%	0.532	S	S	*	.			trans	-78.3	103.1	177.8	-149	176.6	-153.1	160.7	12.7	111.2	M481 E485	M481-R483 PolarHBondContact O-N 2.95Å; R483-E485 PolarHBondContact O-N 3.37Å
484	K	42.8	Very low	63.3	Low	197 Å²	197	110.9 Å²	110.9	86%	0.857	54%	0.536	S	S	*	.			trans	-59.4	126.7	173.2	-84.8	179.1	176.9	169.6	0	111.2	E482	E482-K484 PolarHBondContact O-N 2.86Å
485	E	41.4	Very low	62.8	Low	184 Å²	184	112.1 Å²	112.1	86%	0.86	54%	0.541	S	S	*	.			trans	61	99.1	173.1	-55.7	-158.7	152.4	0	0	118.6	R483	R483-E485 PolarHBondContact O-N 3.37Å
486	R	37.3	Very low	62.5	Low	237 Å²	237	113.6 Å²	113.6	89%	0.894	55%	0.549	S	S	*	.				-157.9	146.3	123.5	-103.5	158.8	-153	-153.1	5.4	110.7	S488	R486-S488 PolarHBondContact O-N 2.72Å
487	K	43.8	Very low	62.3	Low	223 Å²	223	115.3 Å²	115.3	97%	0.97	56%	0.56	S	S	*	*			trans	-91.4	90.8	-177.6	-70.9	-178.3	179.3	175.2	0	111.4
488	S	34.5	Very low	62.1	Low	82 Å²	82	114.4 Å²	114.4	57%	0.573	56%	0.561	S	S	*	*			trans	-149.5	123.8	169.5	45.2	0	0	0	0	110.7	R486 S490	R486-S488 PolarHBondContact O-N 2.72Å; S488-S490 PolarHBondContact O-N 2.92Å; S488-S490 VanDerWaalsContact O-N 3.08Å
489	P	45.8	Very low	62.2	Low	144 Å²	144	116.3 Å²	116.3	94%	0.935	57%	0.574	S	S	*	*	S	Bend	trans	-88	71.1	-170	35.5	-36.4	0	0	0	113.5
490	S	39.4	Very low	62.5	Low	96 Å²	96	112.3 Å²	112.3	67%	0.671	56%	0.563	S	S	*	*	S	Bend	trans	-154.8	137.9	160.6	53.4	0	0	0	0	109.2	S488 D492	S488-S490 PolarHBondContact O-N 2.92Å; S488-S490 VanDerWaalsContact O-N 3.08Å; S490-D492 PolarHBondContact O-N 2.73Å; S490-D492 VanDerWaalsContact O-N 3.07Å
491	S	47.7	Very low	62.8	Low	103 Å²	103	109.5 Å²	109.5	72%	0.72	55%	0.549	S	S	*	.			trans	-75	94	-168.8	54.3	0	0	0	0	113.6	T493	S491-T493 VanDerWaalsContact C-N 3.29Å; S491-T493 PolarHBondContact O-N 2.91Å
492	D	51.5	Low	63.7	Low	155 Å²	155	106.2 Å²	106.2	83%	0.829	53%	0.534	S	S	*	.			trans	-78.6	81.8	155.5	-79.5	-9.3	0	0	0	108.5	S490	S490-D492 PolarHBondContact O-N 2.73Å; S490-D492 VanDerWaalsContact O-N 3.07Å
493	T	65.7	Low	65.1	Low	29 Å²	29	99.7 Å²	99.7	18%	0.178	50%	0.503	C	S	.	.			trans	-77.4	127.4	166.3	-58.7	0	0	0	0	108.3	Q480 S491 Y495	Q480-T493 HydrophobicContact CB-CG2 4.49Å; Q480-T493 HydrophobicContact CG-CG2 3.81Å; S491-T493 VanDerWaalsContact C-N 3.29Å; S491-T493 PolarHBondContact O-N 2.91Å; T493-Y495 HydrophobicContact CG2-CD2 4.29Å; T493-Y495 HydrophobicContact CG2-CE1 4.2Å; T493-Y495 HydrophobicContact CG2-CE2 3.67Å
494	L	77.8	Confident	66.4	Low	42 Å²	42	91.8 Å²	91.8	22%	0.22	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.9	173.3	-160.7	75.9	0	0	0	109.7	E439 E441 M481	E439-L494 CarbonylContact O-C 3.48Å; E439-L494 WeakPolarHBondContact O-CA 3.44Å; E439-L494 WeakPolarHBondContact O-CD1 3.41Å; E441-L494 HydrophobicContact CB-CD2 4.03Å; E441-L494 HydrophobicContact CB-CG 4.24Å; E441-L494 HydrophobicContact CG-CD2 4.3Å; M481-L494 PolarHBondContact N-O 2.89Å; M481-L494 HydrophobicContact SD-CD2 4.02Å; M481-L494 HydrophobicContact SD-CG 4.4Å
495	Y	83.1	Confident	68.1	Low	31 Å²	31	86.9 Å²	86.9	12%	0.122	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.2	-176.5	-69.1	-78.1	0	0	0	112.3	E439 V440 E441 L478 R479 Q480 T493	E439-Y495 HydrophobicContact CB-CD2 3.85Å; E439-Y495 HydrophobicContact CB-CE2 4.18Å; E439-Y495 PolarHBondContact O-N 2.86Å; E439-Y495 WeakPolarHBondContact OE2-CE2 3.12Å; V440-Y495 WeakPolarHBondContact CA-O 3.38Å; E441-Y495 PolarHBondContact N-O 2.93Å; L478-Y495 HydrophobicContact CB-CD1 3.84Å; L478-Y495 HydrophobicContact CB-CG 4.18Å; L478-Y495 HydrophobicContact CD1-CD1 4.43Å; L478-Y495 HydrophobicContact CD1-CG 4.1Å; R479-Y495 CarbonylContact O-C 3.51Å; R479-Y495 WeakPolarHBondContact O-CA 3.47Å; Q480-Y495 HydrophobicContact CB-CD1 4.29Å; Q480-Y495 HydrophobicContact CB-CE1 4.02Å; T493-Y495 HydrophobicContact CG2-CD2 4.29Å; T493-Y495 HydrophobicContact CG2-CE1 4.2Å; T493-Y495 HydrophobicContact CG2-CE2 3.67Å
496	E	85.4	Confident	69.6	Low	68 Å²	68	82.4 Å²	82.4	32%	0.318	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	140.3	167.4	176.5	-171.9	-128.4	0	0	109.4	L478 R479 M481	L478-E496 CarbonylContact C-O 3.59Å; L478-E496 VanDerWaalsContact CA-O 3.29Å; L478-E496 WeakPolarHBondContact CA-O 3.22Å; R479-E496 HydrophobicContact CB-CB 4.4Å; R479-E496 VanDerWaalsContact CD-OE2 3.3Å; R479-E496 WeakPolarHBondContact CD-OE2 3.27Å; R479-E496 IonicContact CZ-OE2 3.23Å; R479-E496 PolarHBondContact N-O 2.89Å; R479-E496 IonicContact NE-OE2 2.78Å; R479-E496 IonicContact NH1-OE1 3.93Å; R479-E496 IonicContact NH1-OE2 2.7Å; R479-E496 PolarHBondContact NH1-OE2 2.83Å; R479-E496 PolarHBondContact O-N 3.39Å; M481-E496 HydrophobicContact CG-CB 4.12Å; M481-E496 HydrophobicContact SD-CB 4.13Å
497	V	88.5	Confident	71.1	Confident	36 Å²	36	76 Å²	76	22%	0.218	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	119	175.2	-179.7	0	0	0	0	109.4	V440 E442 V444 L476 L478	V440-V497 HydrophobicContact CG1-CG2 3.54Å; E442-V497 HydrophobicContact CB-CG2 4.15Å; V444-V497 HydrophobicContact CG2-CG2 4.3Å; L476-V497 HydrophobicContact CD1-CG1 3.9Å; L478-V497 HydrophobicContact CD2-CB 4.4Å; L478-V497 HydrophobicContact CD2-CG2 3.89Å
498	V	87	Confident	72	Confident	61 Å²	61	70.3 Å²	70.3	37%	0.37	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-40.9	179.8	-178.5	0	0	0	0	111.3	K477 R479	K477-V498 HydrophobicContact CB-CB 4.26Å; K477-V498 HydrophobicContact CD-CB 4.28Å; K477-V498 HydrophobicContact CD-CG1 4.07Å; K477-V498 HydrophobicContact CG-CB 4.15Å; K477-V498 HydrophobicContact CG-CG1 4.49Å; K477-V498 PolarHBondContact O-N 2.79Å; R479-V498 HydrophobicContact CB-CG2 3.54Å
499	S	88.9	Confident	72.9	Confident	39 Å²	39	72.4 Å²	72.4	27%	0.273	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	159.8	170.6	63.6	0	0	0	0	111.4	K477	K477-S499 PolarHBondContact N-O 3.16Å; K477-S499 PolarHBondContact O-N 3.41Å
500	L	90.3	Very high	73	Confident	50 Å²	50	69.5 Å²	69.5	26%	0.262	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.4	165.7	176.9	69.7	0	0	0	107.4	V444 R445 F446 F474 Y475 L476	V444-L500 HydrophobicContact CG1-CD1 4.44Å; V444-L500 HydrophobicContact CG1-CD2 3.87Å; R445-L500 WeakPolarHBondContact O-CD2 3.49Å; F446-L500 HydrophobicContact CD1-CD1 4.24Å; F446-L500 HydrophobicContact CD1-CD2 4.23Å; F446-L500 HydrophobicContact CE1-CD1 3.87Å; F446-L500 HydrophobicContact CE1-CD2 4.46Å; F474-L500 HydrophobicContact CB-CD1 4.04Å; F474-L500 HydrophobicContact CD1-CD1 4.19Å; F474-L500 HydrophobicContact CD1-CG 4.27Å; Y475-L500 WeakPolarHBondContact O-CA 3.39Å; L476-L500 HydrophobicContact CB-CD1 3.87Å; L476-L500 HydrophobicContact CD1-CB 4.22Å; L476-L500 HydrophobicContact CD1-CD1 4.05Å
501	E	89.8	Confident	73.1	Confident	49 Å²	49	70.9 Å²	70.9	23%	0.229	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.7	-178.7	-59.3	-177	-169	0	0	110.4	F474 Y475 R509	F474-E501 CarbonylContact C-O 3.58Å; F474-E501 WeakPolarHBondContact CA-O 3.25Å; Y475-E501 PolarHBondContact N-O 2.88Å; Y475-E501 PolarHBondContact O-N 3.35Å; E501-R509 IonicContact OE1-CZ 3.66Å; E501-R509 IonicContact OE1-NH1 2.72Å; E501-R509 PolarHBondContact OE1-NH1 3.01Å; E501-R509 IonicContact OE2-CZ 3.34Å; E501-R509 IonicContact OE2-NH1 3.03Å; E501-R509 PolarHBondContact OE2-NH1 3.2Å
502	S	90.1	Very high	72.8	Confident	5 Å²	5	69.7 Å²	69.7	4%	0.035	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	162.6	170.6	65.2	0	0	0	0	112.1	T473 E505 R506	T473-S502 CarbonylContact O-C 3.37Å; T473-S502 WeakPolarHBondContact O-CA 3.34Å; S502-E505 VanDerWaalsContact CB-OE2 3.27Å; S502-E505 WeakPolarHBondContact CB-OE2 3.5Å; S502-E505 PolarHBondContact N-OE2 2.67Å; S502-E505 PolarHBondContact O-N 2.85Å; S502-E505 VanDerWaalsContact OG-CB 3.3Å; S502-E505 WeakPolarHBondContact OG-CB 3.41Å; S502-E505 WeakPolarHBondContact OG-CG 3.19Å; S502-E505 PolarHBondContact OG-N 3.23Å; S502-E505 VanDerWaalsContact OG-N 3.09Å; S502-E505 PolarHBondContact OG-OE2 2.82Å; S502-R506 VanDerWaalsContact O-CB 3.27Å; S502-R506 WeakPolarHBondContact O-CB 3.44Å; S502-R506 PolarHBondContact O-N 3.29Å
503	E	85.9	Confident	71.8	Confident	49 Å²	49	64.7 Å²	64.7	23%	0.229	33%	0.331	C	S	.	.	H	α-helix	trans	-68.8	-38.6	176.7	-173.8	135.3	-102	0	0	111	E472 T473 Y475 R506 E507	E472-E503 PolarHBondContact OE1-N 3.38Å; T473-E503 WeakPolarHBondContact CB-OE2 2.9Å; T473-E503 WeakPolarHBondContact O-CB 3.35Å; T473-E503 PolarHBondContact O-N 2.78Å; T473-E503 PolarHBondContact OG1-OE2 3.27Å; Y475-E503 HydrophobicContact CE2-CB 4.19Å; Y475-E503 HydrophobicContact CE2-CG 4.48Å; Y475-E503 PolarHBondContact OH-OE1 2.79Å; E503-R506 CarbonylContact O-C 3.55Å; E503-R506 PolarHBondContact O-N 3.39Å; E503-E507 HydrophobicContact CG-CG 4.41Å; E503-E507 WeakPolarHBondContact O-CA 3.16Å; E503-E507 VanDerWaalsContact O-CB 3.24Å; E503-E507 WeakPolarHBondContact O-CB 3.49Å; E503-E507 VanDerWaalsContact O-CG 3.31Å; E503-E507 WeakPolarHBondContact O-CG 3.4Å; E503-E507 PolarHBondContact O-N 2.73Å
504	T	78.5	Confident	70	Confident	48 Å²	48	68.7 Å²	68.7	29%	0.294	36%	0.36	S	S	.	.	H	α-helix	trans	-69.5	-29	173.2	55.5	0	0	0	0	113.2	E472 K508	E472-T504 WeakPolarHBondContact OE1-CB 3.46Å; E472-T504 WeakPolarHBondContact OE1-CG2 3.22Å; E472-T504 PolarHBondContact OE1-N 2.86Å; E472-T504 PolarHBondContact OE1-OG1 3.44Å; E472-T504 WeakPolarHBondContact OE2-CG2 3.41Å; E472-T504 PolarHBondContact OE2-OG1 2.74Å; T504-K508 WeakPolarHBondContact O-CB 3.42Å; T504-K508 VanDerWaalsContact O-CD 3.25Å; T504-K508 WeakPolarHBondContact O-CD 3.5Å; T504-K508 VanDerWaalsContact O-CE 3.31Å; T504-K508 WeakPolarHBondContact O-CE 3.43Å; T504-K508 WeakPolarHBondContact O-CG 3.36Å; T504-K508 PolarHBondContact O-N 2.94Å
505	E	77.1	Confident	68.2	Low	94 Å²	94	72.3 Å²	72.3	44%	0.439	39%	0.386	S	S	.	.	H	α-helix	trans	-69.7	-44.7	166.9	-74.2	162.8	134.7	0	0	111.8	S502 E507 K508 R509	S502-E505 VanDerWaalsContact CB-OE2 3.27Å; S502-E505 WeakPolarHBondContact CB-OE2 3.5Å; S502-E505 PolarHBondContact N-OE2 2.67Å; S502-E505 PolarHBondContact O-N 2.85Å; S502-E505 VanDerWaalsContact OG-CB 3.3Å; S502-E505 WeakPolarHBondContact OG-CB 3.41Å; S502-E505 WeakPolarHBondContact OG-CG 3.19Å; S502-E505 PolarHBondContact OG-N 3.23Å; S502-E505 VanDerWaalsContact OG-N 3.09Å; S502-E505 PolarHBondContact OG-OE2 2.82Å; E505-E507 VanDerWaalsContact C-N 3.26Å; E505-E507 PolarHBondContact O-N 2.83Å; E505-K508 PolarHBondContact O-N 2.81Å; E505-R509 WeakPolarHBondContact O-CB 3.3Å; E505-R509 WeakPolarHBondContact O-CG 3.25Å; E505-R509 PolarHBondContact O-N 2.77Å
506	R	74	Confident	65.6	Low	90 Å²	90	76.8 Å²	76.8	34%	0.34	42%	0.422	S	S	.	.	H	α-helix	trans	-67.7	-26.8	177.5	-162.9	175.9	-178.5	-162.2	1.5	112.4	S502 E503 K510	S502-R506 VanDerWaalsContact O-CB 3.27Å; S502-R506 WeakPolarHBondContact O-CB 3.44Å; S502-R506 PolarHBondContact O-N 3.29Å; E503-R506 CarbonylContact O-C 3.55Å; E503-R506 PolarHBondContact O-N 3.39Å; R506-K510 WeakPolarHBondContact O-CD 3.43Å; R506-K510 WeakPolarHBondContact O-CG 3.43Å; R506-K510 PolarHBondContact O-N 3.02Å
507	E	68.1	Low	63.2	Low	102 Å²	102	81.3 Å²	81.3	48%	0.477	45%	0.446	S	S	.	.	H	α-helix	trans	-80.9	-38.5	172.7	-77.6	-167.1	156.8	0	0	112.1	E503 E505 R509 K510 T511	E503-E507 HydrophobicContact CG-CG 4.41Å; E503-E507 WeakPolarHBondContact O-CA 3.16Å; E503-E507 VanDerWaalsContact O-CB 3.24Å; E503-E507 WeakPolarHBondContact O-CB 3.49Å; E503-E507 VanDerWaalsContact O-CG 3.31Å; E503-E507 WeakPolarHBondContact O-CG 3.4Å; E503-E507 PolarHBondContact O-N 2.73Å; E505-E507 VanDerWaalsContact C-N 3.26Å; E505-E507 PolarHBondContact O-N 2.83Å; E507-R509 PolarHBondContact O-N 3.42Å; E507-K510 HydrophobicContact CG-CD 4.3Å; E507-K510 CarbonylContact O-C 3.55Å; E507-K510 WeakPolarHBondContact O-CA 3.48Å; E507-K510 PolarHBondContact O-N 2.95Å; E507-T511 PolarHBondContact O-N 2.95Å; E507-T511 PolarHBondContact O-OG1 3.04Å
508	K	63.7	Low	60.5	Low	104 Å²	104	87.4 Å²	87.4	45%	0.452	48%	0.477	S	S	.	.	H	α-helix	trans	-52.8	-48.6	165.4	-70.9	157.5	-155.2	156.5	0	109.8	T504 E505 K510 T511 T512	T504-K508 WeakPolarHBondContact O-CB 3.42Å; T504-K508 VanDerWaalsContact O-CD 3.25Å; T504-K508 WeakPolarHBondContact O-CD 3.5Å; T504-K508 VanDerWaalsContact O-CE 3.31Å; T504-K508 WeakPolarHBondContact O-CE 3.43Å; T504-K508 WeakPolarHBondContact O-CG 3.36Å; T504-K508 PolarHBondContact O-N 2.94Å; E505-K508 PolarHBondContact O-N 2.81Å; K508-K510 VanDerWaalsContact C-N 3.28Å; K508-K510 PolarHBondContact O-N 3.38Å; K508-T511 WeakPolarHBondContact CA-OG1 3.25Å; K508-T511 PolarHBondContact O-N 3.09Å; K508-T511 PolarHBondContact O-OG1 3.49Å; K508-T512 PolarHBondContact O-N 3.47Å; K508-T512 PolarHBondContact O-OG1 3.45Å
509	R	53.7	Low	58.5	Low	125 Å²	125	90 Å²	90	47%	0.472	50%	0.495	S	S	.	.	H	α-helix	trans	-64.2	-19.2	173.9	-72.9	175.9	171	-175.6	-3.3	115.1	E501 E505 E507 T512 A513	E501-R509 IonicContact OE1-CZ 3.66Å; E501-R509 IonicContact OE1-NH1 2.72Å; E501-R509 PolarHBondContact OE1-NH1 3.01Å; E501-R509 IonicContact OE2-CZ 3.34Å; E501-R509 IonicContact OE2-NH1 3.03Å; E501-R509 PolarHBondContact OE2-NH1 3.2Å; E505-R509 WeakPolarHBondContact O-CB 3.3Å; E505-R509 WeakPolarHBondContact O-CG 3.25Å; E505-R509 PolarHBondContact O-N 2.77Å; E507-R509 PolarHBondContact O-N 3.42Å; R509-T512 WeakPolarHBondContact CA-OG1 3.45Å; R509-T512 CarbonylContact O-C 3.54Å; R509-T512 PolarHBondContact O-OG1 3.4Å; R509-A513 WeakPolarHBondContact O-CB 3.47Å; R509-A513 PolarHBondContact O-N 2.91Å; R509-A513 VanDerWaalsContact O-N 3.08Å
510	K	47.2	Very low	55.8	Low	84 Å²	84	94.3 Å²	94.3	37%	0.365	53%	0.525	S	S	.	.	H	α-helix	trans	-92.6	-27.7	171.7	-72.7	160.8	-175.3	168.7	0	112.6	R506 E507 K508 T512 A513	R506-K510 WeakPolarHBondContact O-CD 3.43Å; R506-K510 WeakPolarHBondContact O-CG 3.43Å; R506-K510 PolarHBondContact O-N 3.02Å; E507-K510 HydrophobicContact CG-CD 4.3Å; E507-K510 CarbonylContact O-C 3.55Å; E507-K510 WeakPolarHBondContact O-CA 3.48Å; E507-K510 PolarHBondContact O-N 2.95Å; K508-K510 VanDerWaalsContact C-N 3.28Å; K508-K510 PolarHBondContact O-N 3.38Å; K510-T512 PolarHBondContact O-N 3.3Å; K510-A513 CarbonylContact C-O 3.54Å; K510-A513 WeakPolarHBondContact CA-O 3.44Å; K510-A513 CarbonylContact O-C 3.52Å; K510-A513 PolarHBondContact O-N 3.48Å
511	T	42.3	Very low	52.8	Low	124 Å²	124	95.4 Å²	95.4	76%	0.761	55%	0.549	S	S	*	.	H	α-helix	trans	-70.3	-17.8	166.3	53.1	0	0	0	0	111.6	E507 K508	E507-T511 PolarHBondContact O-N 2.95Å; E507-T511 PolarHBondContact O-OG1 3.04Å; K508-T511 WeakPolarHBondContact CA-OG1 3.25Å; K508-T511 PolarHBondContact O-N 3.09Å; K508-T511 PolarHBondContact O-OG1 3.49Å
512	T	39.4	Very low	50.5	Low	78 Å²	78	99.7 Å²	99.7	48%	0.479	58%	0.581	S	S	.	*	S	Bend	trans	-100.8	2.6	162.3	55.7	0	0	0	0	114.5	K508 R509 K510 D548	K508-T512 PolarHBondContact O-N 3.47Å; K508-T512 PolarHBondContact O-OG1 3.45Å; R509-T512 WeakPolarHBondContact CA-OG1 3.45Å; R509-T512 CarbonylContact O-C 3.54Å; R509-T512 PolarHBondContact O-OG1 3.4Å; K510-T512 PolarHBondContact O-N 3.3Å; T512-D548 WeakPolarHBondContact CB-OD2 3.3Å; T512-D548 WeakPolarHBondContact CG2-OD2 3.44Å; T512-D548 PolarHBondContact OG1-OD2 3.18Å
513	A	31.7	Very low	47.7	Very low	51 Å²	51	102.9 Å²	102.9	42%	0.421	62%	0.615	S	S	.	*	S	Bend	trans	-144.8	98.3	174.1	0	0	0	0	0	112.9	R509 K510	R509-A513 WeakPolarHBondContact O-CB 3.47Å; R509-A513 PolarHBondContact O-N 2.91Å; R509-A513 VanDerWaalsContact O-N 3.08Å; K510-A513 CarbonylContact C-O 3.54Å; K510-A513 WeakPolarHBondContact CA-O 3.44Å; K510-A513 CarbonylContact O-C 3.52Å; K510-A513 PolarHBondContact O-N 3.48Å
514	S	28.6	Very low	45	Very low	112 Å²	112	107.5 Å²	107.5	78%	0.783	65%	0.647	S	S	*	*			trans	-45	132	-170.1	-53.7	0	0	0	0	116.5
515	P	38.1	Very low	43.1	Very low	119 Å²	119	114.2 Å²	114.2	77%	0.773	68%	0.677	S	S	*	*			trans	-74.1	129	176.1	30.1	-34.1	0	0	0	112.3
516	S	29.7	Very low	40.8	Very low	124 Å²	124	114.3 Å²	114.3	87%	0.867	69%	0.693	S	S	*	*			trans	-96.6	130.1	171.6	-72	0	0	0	0	112
517	I	33.7	Very low	39	Very low	163 Å²	163	116.1 Å²	116.1	84%	0.836	72%	0.717	S	S	*	*			trans	-130.6	132.5	166.8	-65.8	179.7	0	0	0	108.7
518	L	32.6	Very low	36.9	Very low	164 Å²	164	116.6 Å²	116.6	86%	0.859	73%	0.732	S	S	*	*			trans	-87	150.3	176.1	-78	167.2	0	0	0	111.9
519	P	45.2	Very low	35.4	Very low	115 Å²	115	117.2 Å²	117.2	75%	0.747	75%	0.746	S	S	*	*			trans	-97.3	154	-159.8	36.8	-37.2	0	0	0	115.5
520	S	31.8	Very low	34.6	Very low	130 Å²	130	116.4 Å²	116.4	91%	0.909	76%	0.757	S	S	*	*			trans	-175.4	139.2	134.6	40.7	0	0	0	0	112.5
521	G	27.5	Very low	33.9	Very low	73 Å²	73	121.3 Å²	121.3	75%	0.753	78%	0.781	S	S	*	*			trans	130.8	117.3	173.7	0	0	0	0	0	114.1
522	P	41.3	Very low	33.4	Very low	139 Å²	139	122.5 Å²	122.5	90%	0.903	78%	0.783	S	S	*	*			trans	-95.9	128.6	-176.3	34.1	-31.8	0	0	0	114.4
523	G	31.8	Very low	33.5	Very low	73 Å²	73	126.6 Å²	126.6	75%	0.753	80%	0.802	S	S	*	*			trans	100.5	117.5	148	0	0	0	0	0	118.2
524	T	28.7	Very low	33.7	Very low	146 Å²	146	131.5 Å²	131.5	90%	0.896	82%	0.816	S	S	*	*				-175.7	149.6	124.2	-70.9	0	0	0	0	108.2
525	M	39.8	Very low	34.4	Very low	189 Å²	189	135.4 Å²	135.4	93%	0.931	82%	0.822	S	S	*	*			trans	-83.3	133.8	-179.9	-54.7	177.6	-165.7	0	0	112.1
526	A	28.2	Very low	34.4	Very low	95 Å²	95	139 Å²	139	79%	0.785	83%	0.828	S	S	*	*			trans	-156.2	153.6	161.9	0	0	0	0	0	109.4
527	P	35.7	Very low	35	Very low	129 Å²	129	139.1 Å²	139.1	84%	0.838	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-87.8	161.1	-167.6	34.9	-36.7	0	0	0	114.8
528	S	25.1	Very low	35.6	Very low	112 Å²	112	135.9 Å²	135.9	78%	0.783	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-65.1	152.1	171.8	-46.3	0	0	0	0	112.9
529	P	32.3	Very low	36.9	Very low	117 Å²	117	131.5 Å²	131.5	76%	0.76	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-67.3	162.6	161.5	-11.1	27.8	0	0	0	111.5
530	P	35.5	Very low	38.1	Very low	108 Å²	108	132.2 Å²	132.2	70%	0.701	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-74.6	165	174.6	33.6	-35.6	0	0	0	112.5
531	E	34.1	Very low	40.1	Very low	187 Å²	187	128.9 Å²	128.9	87%	0.874	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-79.3	120.2	165.4	-64.8	163.6	140.8	0	0	107.8
532	D	31.4	Very low	42.5	Very low	148 Å²	148	126.6 Å²	126.6	79%	0.791	72%	0.72	S	S	*	*			trans	-91.5	107.3	175.7	-84.1	-34.8	0	0	0	110	E534	D532-E534 PolarHBondContact O-N 3.21Å; D532-E534 VanDerWaalsContact O-N 3.1Å
533	D	40.3	Very low	44.3	Very low	165 Å²	165	125.4 Å²	125.4	88%	0.882	71%	0.706	S	S	*	*			trans	-72	89.5	173.3	-71.9	-52	0	0	0	111.6
534	E	37.1	Very low	46.5	Very low	153 Å²	153	122.5 Å²	122.5	72%	0.715	67%	0.674	S	S	*	*			trans	-117.6	48.6	166.5	-76.4	-156.5	166.4	0	0	113.1	D532	D532-E534 PolarHBondContact O-N 3.21Å; D532-E534 VanDerWaalsContact O-N 3.1Å
535	E	42.1	Very low	48.8	Very low	195 Å²	195	115.8 Å²	115.8	91%	0.911	63%	0.634	S	S	*	*			trans	-94.3	64.6	160.7	-73.8	-151.3	158.3	0	0	112.1	D537	E535-D537 PolarHBondContact O-N 3.32Å
536	E	39.5	Very low	50.5	Low	193 Å²	193	107.4 Å²	107.4	90%	0.902	59%	0.594	S	S	*	*			trans	-73.9	91.2	168.4	-79.8	-161.8	146.8	0	0	111.8	N538	E536-N538 PolarHBondContact O-N 2.96Å
537	D	41.2	Very low	52.2	Low	128 Å²	128	103.4 Å²	103.4	68%	0.684	56%	0.562	S	S	*	*			trans	36.6	55.4	148.7	-152.9	22.3	0	0	0	117.6	E535 D539	E535-D537 PolarHBondContact O-N 3.32Å; D537-D539 PolarHBondContact O-N 3.03Å; D537-D539 VanDerWaalsContact O-N 3.16Å
538	N	46.5	Very low	53.5	Low	94 Å²	94	101.5 Å²	101.5	50%	0.503	54%	0.544	S	S	.	.			trans	-72.8	103.8	159.3	-176.9	-0.4	0	0	0	109.1	E536 E540 K809	E536-N538 PolarHBondContact O-N 2.96Å; N538-E540 PolarHBondContact ND2-OE2 3.46Å; N538-E540 PolarHBondContact O-N 3.05Å; N538-E540 VanDerWaalsContact OD1-CB 3.3Å; N538-E540 WeakPolarHBondContact OD1-CB 3.4Å; N538-E540 VanDerWaalsContact OD1-CG 3.32Å; N538-E540 WeakPolarHBondContact OD1-CG 3.47Å; N538-E540 PolarHBondContact OD1-N 3.49Å; N538-K809 PolarHBondContact O-NZ 3.32Å
539	D	59.1	Low	55.7	Low	73 Å²	73	97.5 Å²	97.5	39%	0.39	52%	0.515	S	S	.	.			trans	-71.9	-5.8	-177.2	-137.4	-12.2	0	0	0	114.3	D537 K801	D537-D539 PolarHBondContact O-N 3.03Å; D537-D539 VanDerWaalsContact O-N 3.16Å; D539-K801 WeakPolarHBondContact OD1-CE 3.4Å; D539-K801 IonicContact OD1-NZ 3.42Å; D539-K801 PolarHBondContact OD1-NZ 3.08Å; D539-K801 IonicContact OD2-NZ 2.73Å; D539-K801 PolarHBondContact OD2-NZ 3.13Å
540	E	71.4	Confident	57.4	Low	129 Å²	129	94.7 Å²	94.7	60%	0.603	50%	0.498	S	S	*	.	S	Bend	trans	-66.8	134.6	177.4	-66.9	-178.5	143.7	0	0	112.1	N538 K809	N538-E540 PolarHBondContact ND2-OE2 3.46Å; N538-E540 PolarHBondContact O-N 3.05Å; N538-E540 VanDerWaalsContact OD1-CB 3.3Å; N538-E540 WeakPolarHBondContact OD1-CB 3.4Å; N538-E540 VanDerWaalsContact OD1-CG 3.32Å; N538-E540 WeakPolarHBondContact OD1-CG 3.47Å; N538-E540 PolarHBondContact OD1-N 3.49Å; E540-K809 WeakPolarHBondContact O-CE 3.49Å; E540-K809 PolarHBondContact O-NZ 2.93Å
541	P	72.4	Confident	59	Low	61 Å²	61	97.6 Å²	97.6	40%	0.396	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-66	151.3	171.9	30.1	-34.9	0	0	0	110.8	L543 V805	P541-L543 PolarHBondContact O-N 3.39Å; P541-V805 HydrophobicContact CB-CG2 4.15Å
542	L	78.9	Confident	60.4	Low	24 Å²	24	97.2 Å²	97.2	13%	0.126	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-60.2	130.1	177.7	-124.4	-172.4	0	0	0	110.7	S544 S546 P757 P808 K809	L542-S544 PolarHBondContact O-N 3.31Å; L542-S546 VanDerWaalsContact CD2-OG 3.25Å; L542-S546 WeakPolarHBondContact CD2-OG 3.21Å; L542-P757 HydrophobicContact CD1-CG 3.97Å; L542-P808 HydrophobicContact CB-CB 4.33Å; L542-P808 HydrophobicContact CD1-CB 4.39Å; L542-K809 HydrophobicContact CB-CG 4.46Å; L542-K809 HydrophobicContact CD1-CG 4.21Å; L542-K809 HydrophobicContact CG-CG 3.97Å
543	L	79.1	Confident	62.6	Low	115 Å²	115	92.1 Å²	92.1	60%	0.602	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-62.6	135.1	170.6	-69	176.5	0	0	0	109.7	P541 S546 A636	P541-L543 PolarHBondContact O-N 3.39Å; L543-S546 VanDerWaalsContact O-CB 3.27Å; L543-S546 WeakPolarHBondContact O-CB 3.47Å; L543-S546 PolarHBondContact O-OG 3.19Å; L543-A636 HydrophobicContact CB-CB 3.94Å; L543-A636 HydrophobicContact CD1-CB 4.22Å
544	S	78.8	Confident	64.5	Low	12 Å²	12	87.2 Å²	87.2	8%	0.084	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	148.9	177.2	-156.9	0	0	0	0	110.4	L542 F634 F673 A754	L542-S544 PolarHBondContact O-N 3.31Å; S544-F634 WeakPolarHBondContact O-CA 3.25Å; S544-F634 WeakPolarHBondContact OG-CD1 3.4Å; S544-F634 WeakPolarHBondContact OG-CE1 3.47Å; S544-F673 WeakPolarHBondContact OG-CD1 3.47Å; S544-F673 VanDerWaalsContact OG-CE1 3.32Å; S544-F673 WeakPolarHBondContact OG-CE1 3.15Å; S544-A754 WeakPolarHBondContact CB-O 3.34Å; S544-A754 PolarHBondContact OG-O 3.37Å
545	G	76.1	Confident	66.5	Low	5 Å²	5	87.3 Å²	87.3	5%	0.052	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	14.7	-175.5	0	0	0	0	0	114.3	L758	G545-L758 WeakPolarHBondContact O-CD1 3.23Å
546	S	75.3	Confident	68.4	Low	12 Å²	12	85.7 Å²	85.7	8%	0.084	45%	0.447	C	S	.	.			trans	-92.9	159.8	-179.9	57.6	0	0	0	0	113.3	L542 L543 P757 L758	L542-S546 VanDerWaalsContact CD2-OG 3.25Å; L542-S546 WeakPolarHBondContact CD2-OG 3.21Å; L543-S546 VanDerWaalsContact O-CB 3.27Å; L543-S546 WeakPolarHBondContact O-CB 3.47Å; L543-S546 PolarHBondContact O-OG 3.19Å; S546-P757 CarbonylContact O-C 3.58Å; S546-P757 VanDerWaalsContact O-CA 3.22Å; S546-P757 WeakPolarHBondContact O-CA 3.33Å; S546-P757 WeakPolarHBondContact O-CB 3.48Å; S546-L758 PolarHBondContact O-N 2.66Å
547	G	64.8	Low	70.6	Confident	11 Å²	11	80.2 Å²	80.2	11%	0.113	42%	0.423	C	S	.	.	S	Bend	trans	103.3	114.9	-178.7	0	0	0	0	0	110.5
548	D	63	Low	72.8	Confident	89 Å²	89	77.5 Å²	77.5	48%	0.476	41%	0.408	S	S	.	.			trans	-64.6	137.3	173.3	-58.4	-27.4	0	0	0	108.7	T512	T512-D548 WeakPolarHBondContact CB-OD2 3.3Å; T512-D548 WeakPolarHBondContact CG2-OD2 3.44Å; T512-D548 PolarHBondContact OG1-OD2 3.18Å
549	V	69.9	Low	74.8	Confident	29 Å²	29	78.9 Å²	78.9	18%	0.176	41%	0.411	C	S	.	.			trans	-118.5	115	176.6	-176.6	0	0	0	0	107.8	K551 E589 L758 Y759 F762	V549-K551 PolarHBondContact O-N 3.09Å; V549-E589 HydrophobicContact CG1-CG 4.24Å; V549-E589 WeakPolarHBondContact CG1-OE2 3.35Å; V549-L758 HydrophobicContact CG2-CB 4.13Å; V549-Y759 HydrophobicContact CG1-CD2 4.27Å; V549-F762 HydrophobicContact CB-CE2 4.47Å; V549-F762 HydrophobicContact CG1-CD2 4.28Å; V549-F762 HydrophobicContact CG1-CE2 4.36Å; V549-F762 HydrophobicContact CG2-CD2 4.24Å; V549-F762 HydrophobicContact CG2-CE2 3.9Å
550	S	68.6	Low	76.4	Confident	57 Å²	57	78.9 Å²	78.9	40%	0.399	41%	0.414	S	S	.	.			trans	-68.6	127.7	-178.4	-173.4	0	0	0	0	111.5	E552	S550-E552 VanDerWaalsContact C-N 3.3Å; S550-E552 PolarHBondContact OG-N 2.86Å
551	K	69.4	Low	77.5	Confident	169 Å²	169	72.9 Å²	72.9	74%	0.735	39%	0.386	S	S	*	.			trans	-83.8	-7.2	171.1	-68.8	-179.6	-179.9	-175.4	0	112.5	V549 C553 E589	V549-K551 PolarHBondContact O-N 3.09Å; K551-C553 PolarHBondContact O-N 3.1Å; K551-E589 HydrophobicContact CG-CG 3.95Å
552	E	64.4	Low	78.4	Confident	179 Å²	179	71.4 Å²	71.4	84%	0.836	38%	0.382	S	S	*	.			trans	-80.2	117.8	175.5	-62	-170.8	169.7	0	0	110.5	S550	S550-E552 VanDerWaalsContact C-N 3.3Å; S550-E552 PolarHBondContact OG-N 2.86Å
553	C	76.7	Confident	79	Confident	42 Å²	42	74.9 Å²	74.9	28%	0.284	40%	0.4	S	S	.	.			trans	-120.1	138.8	176.2	-166.9	0	0	0	0	109.9	K551 E555 L558 P588	K551-C553 PolarHBondContact O-N 3.1Å; C553-E555 PolarHBondContact O-N 3.36Å; C553-L558 HydrophobicContact CB-CD1 4.17Å; C553-L558 HydrophobicContact CB-CD2 3.89Å; C553-L558 HydrophobicContact CB-CG 3.93Å; C553-P588 HydrophobicContact CB-CB 4.36Å
554	A	79.6	Confident	79.7	Confident	62 Å²	62	69.6 Å²	69.6	51%	0.512	37%	0.373	S	S	.	.			trans	-63.4	133.1	179.6	0	0	0	0	0	110.8	K556 I557 L558	A554-K556 VanDerWaalsContact C-N 3.26Å; A554-K556 PolarHBondContact O-N 2.82Å; A554-K556 VanDerWaalsContact O-N 3.09Å; A554-I557 HydrophobicContact CB-CD1 4.1Å; A554-I557 HydrophobicContact CB-CG1 4.27Å; A554-I557 WeakPolarHBondContact O-CA 3.5Å; A554-I557 WeakPolarHBondContact O-CB 3.46Å; A554-I557 PolarHBondContact O-N 3.01Å; A554-L558 PolarHBondContact O-N 2.89Å
555	E	80.6	Confident	80.4	Confident	154 Å²	154	69.5 Å²	69.5	72%	0.72	37%	0.371	S	S	*	.	H	α-helix	trans	-46	-46.2	-175.4	-173.5	173.9	-141.8	0	0	113	C553 I557 L558 E559	C553-E555 PolarHBondContact O-N 3.36Å; E555-I557 VanDerWaalsContact C-N 3.28Å; E555-I557 PolarHBondContact O-N 2.96Å; E555-L558 CarbonylContact O-C 3.56Å; E555-L558 WeakPolarHBondContact O-CA 3.16Å; E555-L558 WeakPolarHBondContact O-CB 3.37Å; E555-L558 PolarHBondContact O-N 3.32Å; E555-L558 VanDerWaalsContact O-N 3.1Å; E555-E559 WeakPolarHBondContact O-CG 3.27Å; E555-E559 PolarHBondContact O-N 2.97Å
556	K	81.8	Confident	81.2	Confident	162 Å²	162	72.8 Å²	72.8	70%	0.704	39%	0.393	S	S	*	.	H	α-helix	trans	-61.4	-30.6	178.1	-61.8	179.5	-178	176.1	0	114.6	A554 E559 T560	A554-K556 VanDerWaalsContact C-N 3.26Å; A554-K556 PolarHBondContact O-N 2.82Å; A554-K556 VanDerWaalsContact O-N 3.09Å; K556-E559 WeakPolarHBondContact CA-OE2 3.22Å; K556-T560 WeakPolarHBondContact O-CG2 3.37Å; K556-T560 PolarHBondContact O-N 2.87Å; K556-T560 VanDerWaalsContact O-N 3.12Å; K556-T560 PolarHBondContact O-OG1 3.2Å
557	I	85.6	Confident	81.9	Confident	78 Å²	78	77.1 Å²	77.1	40%	0.4	41%	0.411	S	S	.	.	H	α-helix	trans	-72.5	-46	175.5	-60.4	176	0	0	0	108.5	A554 E555 E559 T560 W561 P588	A554-I557 HydrophobicContact CB-CD1 4.1Å; A554-I557 HydrophobicContact CB-CG1 4.27Å; A554-I557 WeakPolarHBondContact O-CA 3.5Å; A554-I557 WeakPolarHBondContact O-CB 3.46Å; A554-I557 PolarHBondContact O-N 3.01Å; E555-I557 VanDerWaalsContact C-N 3.28Å; E555-I557 PolarHBondContact O-N 2.96Å; I557-E559 PolarHBondContact O-N 3.02Å; I557-T560 PolarHBondContact O-N 3.28Å; I557-T560 PolarHBondContact O-OG1 3.06Å; I557-W561 PolarHBondContact O-N 3.26Å; I557-P588 HydrophobicContact CG2-CG 3.92Å
558	L	87.3	Confident	83.3	Confident	70 Å²	70	76.8 Å²	76.8	37%	0.366	41%	0.406	S	S	.	.	H	α-helix	trans	-60.9	-40.5	174.4	-63.2	175.9	0	0	0	112.2	C553 A554 E555 W561 G562 P588 L591	C553-L558 HydrophobicContact CB-CD1 4.17Å; C553-L558 HydrophobicContact CB-CD2 3.89Å; C553-L558 HydrophobicContact CB-CG 3.93Å; A554-L558 PolarHBondContact O-N 2.89Å; E555-L558 CarbonylContact O-C 3.56Å; E555-L558 WeakPolarHBondContact O-CA 3.16Å; E555-L558 WeakPolarHBondContact O-CB 3.37Å; E555-L558 PolarHBondContact O-N 3.32Å; E555-L558 VanDerWaalsContact O-N 3.1Å; L558-W561 PolarHBondContact O-N 3.49Å; L558-G562 PolarHBondContact O-N 2.91Å; L558-P588 HydrophobicContact CD2-CB 4.04Å; L558-P588 HydrophobicContact CD2-CG 4.37Å; L558-L591 HydrophobicContact CD2-CD1 4.24Å
559	E	88.6	Confident	84.6	Confident	123 Å²	123	76.4 Å²	76.4	58%	0.575	40%	0.401	S	S	*	.	H	α-helix	trans	-54.9	-55.4	170.9	-72.6	-179.7	138.8	0	0	110.8	E555 K556 I557 W561 G562 D563	E555-E559 WeakPolarHBondContact O-CG 3.27Å; E555-E559 PolarHBondContact O-N 2.97Å; K556-E559 WeakPolarHBondContact CA-OE2 3.22Å; I557-E559 PolarHBondContact O-N 3.02Å; E559-W561 VanDerWaalsContact C-N 3.3Å; E559-W561 PolarHBondContact O-N 2.82Å; E559-G562 PolarHBondContact O-N 3.24Å; E559-D563 WeakPolarHBondContact O-CB 3.18Å; E559-D563 PolarHBondContact O-N 3.32Å
560	T	92.3	Very high	85.6	Confident	73 Å²	73	82.6 Å²	82.6	45%	0.448	43%	0.43	S	S	.	.	H	α-helix	trans	-63.5	-32.5	-178.1	55.3	0	0	0	0	113.9	K556 I557 L564	K556-T560 WeakPolarHBondContact O-CG2 3.37Å; K556-T560 PolarHBondContact O-N 2.87Å; K556-T560 VanDerWaalsContact O-N 3.12Å; K556-T560 PolarHBondContact O-OG1 3.2Å; I557-T560 PolarHBondContact O-N 3.28Å; I557-T560 PolarHBondContact O-OG1 3.06Å; T560-L564 PolarHBondContact O-N 3.33Å; T560-L564 VanDerWaalsContact O-N 3.16Å
561	W	94.1	Very high	86.6	Confident	4 Å²	4	83.6 Å²	83.6	2%	0.015	43%	0.431	C	S	.	.	H	α-helix	trans	-75.2	-43.3	174.5	-86.3	98.8	0	0	0	112.7	I557 L558 E559 D563 L564 L565 L579 L582 V583 I587 P588 L591 V595	I557-W561 PolarHBondContact O-N 3.26Å; L558-W561 PolarHBondContact O-N 3.49Å; E559-W561 VanDerWaalsContact C-N 3.3Å; E559-W561 PolarHBondContact O-N 2.82Å; W561-D563 VanDerWaalsContact C-N 3.27Å; W561-D563 PolarHBondContact O-N 3.48Å; W561-L564 PolarHBondContact O-N 3.24Å; W561-L564 VanDerWaalsContact O-N 3.1Å; W561-L565 WeakPolarHBondContact O-CB 3.38Å; W561-L565 WeakPolarHBondContact O-CG 3.45Å; W561-L565 PolarHBondContact O-N 2.85Å; W561-L579 HydrophobicContact CH2-CD1 4.09Å; W561-L579 HydrophobicContact CZ3-CD1 3.86Å; W561-L582 HydrophobicContact CD2-CD1 4.33Å; W561-L582 HydrophobicContact CH2-CB 4.01Å; W561-L582 HydrophobicContact CZ2-CB 3.51Å; W561-V583 HydrophobicContact CH2-CG2 3.89Å; W561-I587 HydrophobicContact CH2-CB 4.42Å; W561-I587 HydrophobicContact CH2-CD1 4.37Å; W561-I587 HydrophobicContact CH2-CG1 3.76Å; W561-I587 HydrophobicContact CH2-CG2 4.29Å; W561-I587 HydrophobicContact CZ2-CB 4.32Å; W561-I587 HydrophobicContact CZ2-CG1 3.95Å; W561-I587 HydrophobicContact CZ2-CG2 4.4Å; W561-P588 HydrophobicContact CG-CG 4.12Å; W561-P588 VanDerWaalsContact NE1-CD 3.32Å; W561-L591 HydrophobicContact CB-CD1 3.55Å; W561-L591 HydrophobicContact CG-CD1 4.11Å; W561-V595 HydrophobicContact CE3-CG2 4.28Å; W561-V595 HydrophobicContact CH2-CG1 4.48Å; W561-V595 HydrophobicContact CZ3-CG1 4.02Å; W561-V595 HydrophobicContact CZ3-CG2 4.06Å
562	G	90.9	Very high	87.5	Confident	30 Å²	30	78 Å²	78	31%	0.309	41%	0.409	S	S	.	.	H	α-helix	trans	-62.3	-36.4	174.5	0	0	0	0	0	112.3	L558 E559 L564 L565 S566	L558-G562 PolarHBondContact O-N 2.91Å; E559-G562 PolarHBondContact O-N 3.24Å; G562-L564 VanDerWaalsContact C-N 3.33Å; G562-L565 PolarHBondContact O-N 3.45Å; G562-S566 VanDerWaalsContact O-CB 3.27Å; G562-S566 WeakPolarHBondContact O-CB 3.34Å; G562-S566 PolarHBondContact O-N 3.14Å; G562-S566 PolarHBondContact O-OG 3.04Å
563	D	91.8	Very high	88.5	Confident	97 Å²	97	74.3 Å²	74.3	52%	0.519	40%	0.403	S	S	.	.	H	α-helix	trans	-70.4	-27.7	175.3	-161.9	41.6	0	0	0	111.8	E559 W561 K567	E559-D563 WeakPolarHBondContact O-CB 3.18Å; E559-D563 PolarHBondContact O-N 3.32Å; W561-D563 VanDerWaalsContact C-N 3.27Å; W561-D563 PolarHBondContact O-N 3.48Å; D563-K567 WeakPolarHBondContact O-CD 3.2Å; D563-K567 VanDerWaalsContact O-CG 3.29Å; D563-K567 WeakPolarHBondContact O-CG 3.42Å; D563-K567 PolarHBondContact O-NZ 3.28Å; D563-K567 IonicContact OD1-NZ 3.96Å; D563-K567 PolarHBondContact OD1-NZ 3.19Å; D563-K567 IonicContact OD2-NZ 2.64Å; D563-K567 PolarHBondContact OD2-NZ 2.84Å
564	L	94.1	Very high	89.1	Confident	4 Å²	4	76.4 Å²	76.4	2%	0.021	41%	0.414	C	S	.	.	H	α-helix	trans	-77.4	-47.7	169.9	-174.7	149.7	0	0	0	112	T560 W561 G562 S566 K567 W568 P576 Q578 L579 L582	T560-L564 PolarHBondContact O-N 3.33Å; T560-L564 VanDerWaalsContact O-N 3.16Å; W561-L564 PolarHBondContact O-N 3.24Å; W561-L564 VanDerWaalsContact O-N 3.1Å; G562-L564 VanDerWaalsContact C-N 3.33Å; L564-S566 VanDerWaalsContact C-N 3.33Å; L564-S566 PolarHBondContact O-N 3.17Å; L564-K567 PolarHBondContact O-N 3.12Å; L564-K567 VanDerWaalsContact O-N 3.1Å; L564-W568 HydrophobicContact CD2-CE3 3.98Å; L564-W568 PolarHBondContact O-N 3.35Å; L564-P576 HydrophobicContact CD1-CB 4.21Å; L564-P576 HydrophobicContact CD2-CB 4.35Å; L564-P576 HydrophobicContact CD2-CG 3.94Å; L564-P576 HydrophobicContact CG-CB 4.05Å; L564-P576 HydrophobicContact CG-CG 4.08Å; L564-Q578 HydrophobicContact CD1-CB 4.2Å; L564-L579 HydrophobicContact CD1-CB 4.1Å; L564-L579 HydrophobicContact CD1-CD1 4.42Å; L564-L579 HydrophobicContact CD2-CD1 4Å; L564-L582 HydrophobicContact CD1-CD1 3.88Å
565	L	93.9	Very high	89.7	Confident	9 Å²	9	78.3 Å²	78.3	5%	0.047	41%	0.408	C	S	.	.	H	α-helix	trans	-59.5	-43.1	179.2	-80.1	163.9	0	0	0	111.4	W561 G562 K567 W568 H569 L591 E594 V595 L598	W561-L565 WeakPolarHBondContact O-CB 3.38Å; W561-L565 WeakPolarHBondContact O-CG 3.45Å; W561-L565 PolarHBondContact O-N 2.85Å; G562-L565 PolarHBondContact O-N 3.45Å; L565-K567 VanDerWaalsContact C-N 3.27Å; L565-K567 PolarHBondContact O-N 3.02Å; L565-W568 PolarHBondContact O-N 2.82Å; L565-W568 VanDerWaalsContact O-N 3.11Å; L565-H569 PolarHBondContact O-N 2.99Å; L565-H569 PolarHBondContact O-ND1 3.12Å; L565-L591 HydrophobicContact CD1-CD1 4.19Å; L565-L591 HydrophobicContact CD1-CD2 4.33Å; L565-E594 WeakPolarHBondContact CD1-OE2 3.34Å; L565-E594 HydrophobicContact CD2-CG 4.34Å; L565-V595 HydrophobicContact CD1-CG2 4.39Å; L565-V595 HydrophobicContact CD2-CG2 4.05Å; L565-L598 HydrophobicContact CD2-CD1 3.59Å
566	S	92	Very high	90.3	Very high	74 Å²	74	72.1 Å²	72.1	52%	0.517	38%	0.381	S	S	.	.	H	α-helix	trans	-57.4	-39.9	174.6	-61.6	0	0	0	0	112	G562 L564 M570	G562-S566 VanDerWaalsContact O-CB 3.27Å; G562-S566 WeakPolarHBondContact O-CB 3.34Å; G562-S566 PolarHBondContact O-N 3.14Å; G562-S566 PolarHBondContact O-OG 3.04Å; L564-S566 VanDerWaalsContact C-N 3.33Å; L564-S566 PolarHBondContact O-N 3.17Å; S566-M570 WeakPolarHBondContact O-CG 3.45Å
567	K	91.2	Very high	90.7	Very high	104 Å²	104	76.5 Å²	76.5	45%	0.452	39%	0.393	S	S	.	.	H	α-helix	trans	-73.7	-32.4	177.1	-66.4	175.6	-170.2	82	0	112.4	D563 L564 L565	D563-K567 WeakPolarHBondContact O-CD 3.2Å; D563-K567 VanDerWaalsContact O-CG 3.29Å; D563-K567 WeakPolarHBondContact O-CG 3.42Å; D563-K567 PolarHBondContact O-NZ 3.28Å; D563-K567 IonicContact OD1-NZ 3.96Å; D563-K567 PolarHBondContact OD1-NZ 3.19Å; D563-K567 IonicContact OD2-NZ 2.64Å; D563-K567 PolarHBondContact OD2-NZ 2.84Å; L564-K567 PolarHBondContact O-N 3.12Å; L564-K567 VanDerWaalsContact O-N 3.1Å; L565-K567 VanDerWaalsContact C-N 3.27Å; L565-K567 PolarHBondContact O-N 3.02Å
568	W	93.4	Very high	91	Very high	4 Å²	4	79 Å²	79	2%	0.015	40%	0.403	C	S	.	.	H	α-helix	trans	-72.7	-40	177.1	-159.3	-8.2	0	0	0	111.6	L564 L565 M570 N571 L572 R575 P576 L579 V595 L598 L599	L564-W568 HydrophobicContact CD2-CE3 3.98Å; L564-W568 PolarHBondContact O-N 3.35Å; L565-W568 PolarHBondContact O-N 2.82Å; L565-W568 VanDerWaalsContact O-N 3.11Å; W568-M570 PolarHBondContact O-N 2.85Å; W568-N571 CarbonylContact O-C 3.52Å; W568-N571 WeakPolarHBondContact O-CA 3.46Å; W568-N571 PolarHBondContact O-N 3.39Å; W568-L572 PolarHBondContact NE1-O 3.37Å; W568-L572 PolarHBondContact O-N 2.84Å; W568-L572 VanDerWaalsContact O-N 3.08Å; W568-R575 HydrophobicContact CH2-CG 4.41Å; W568-R575 HydrophobicContact CZ2-CG 3.79Å; W568-P576 HydrophobicContact CB-CG 3.76Å; W568-P576 HydrophobicContact CD2-CG 4.24Å; W568-P576 HydrophobicContact CG-CG 3.9Å; W568-L579 HydrophobicContact CE3-CD1 4.41Å; W568-L579 HydrophobicContact CE3-CD2 4.17Å; W568-L579 HydrophobicContact CH2-CD2 3.52Å; W568-L579 HydrophobicContact CZ2-CD2 4.21Å; W568-L579 HydrophobicContact CZ3-CD1 3.82Å; W568-L579 HydrophobicContact CZ3-CD2 3.48Å; W568-L579 VanDerWaalsContact CZ3-CD2 3.48Å; W568-L579 HydrophobicContact CZ3-CG 4.31Å; W568-V595 HydrophobicContact CZ3-CG1 4.4Å; W568-L598 HydrophobicContact CD2-CB 4.5Å; W568-L598 HydrophobicContact CD2-CD1 4.25Å; W568-L598 HydrophobicContact CE3-CB 4.34Å; W568-L598 HydrophobicContact CE3-CD1 4.04Å; W568-L598 HydrophobicContact CH2-CB 3.58Å; W568-L598 HydrophobicContact CZ2-CB 3.77Å; W568-L598 WeakPolarHBondContact CZ2-O 3.07Å; W568-L598 HydrophobicContact CZ3-CB 3.9Å; W568-L598 HydrophobicContact CZ3-CD1 4.29Å; W568-L599 HydrophobicContact CH2-CD2 3.9Å; W568-L599 HydrophobicContact CH2-CG 4.03Å
569	H	91.6	Very high	91.3	Very high	81 Å²	81	75.7 Å²	75.7	38%	0.375	39%	0.386	S	S	.	.	H	α-helix	trans	-61.1	-26.2	174.9	-76.9	99.8	0	0	0	113.9	L565 N571 E594	L565-H569 PolarHBondContact O-N 2.99Å; L565-H569 PolarHBondContact O-ND1 3.12Å; H569-N571 VanDerWaalsContact C-N 3.27Å; H569-N571 PolarHBondContact O-N 3.41Å; H569-E594 IonicContact CE1-OE1 2.76Å; H569-E594 PolarHBondContact CE1-OE1 3.27Å; H569-E594 IonicContact NE2-OE1 3.75Å
570	M	90.2	Very high	91.5	Very high	159 Å²	159	72.3 Å²	72.3	78%	0.783	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-17.4	172	-62.5	-62.5	98.5	0	0	113.6	S566 W568	S566-M570 WeakPolarHBondContact O-CG 3.45Å; W568-M570 PolarHBondContact O-N 2.85Å
571	N	89.9	Confident	91.6	Very high	77 Å²	77	71.8 Å²	71.8	41%	0.412	38%	0.378	S	S	.	.			trans	-158.2	82.7	171.8	-174.8	2.8	0	0	0	111.8	W568 H569 S573 V574	W568-N571 CarbonylContact O-C 3.52Å; W568-N571 WeakPolarHBondContact O-CA 3.46Å; W568-N571 PolarHBondContact O-N 3.39Å; H569-N571 VanDerWaalsContact C-N 3.27Å; H569-N571 PolarHBondContact O-N 3.41Å; N571-S573 PolarHBondContact O-N 3.16Å; N571-S573 VanDerWaalsContact O-N 3.08Å; N571-S573 PolarHBondContact OD1-N 2.97Å; N571-S573 PolarHBondContact OD1-OG 2.85Å; N571-V574 WeakPolarHBondContact ND2-CG2 3.27Å; N571-V574 PolarHBondContact O-N 2.85Å; N571-V574 VanDerWaalsContact O-N 3.12Å
572	L	88.6	Confident	91.5	Very high	51 Å²	51	73.6 Å²	73.6	27%	0.267	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.3	-177.8	-63.5	174.5	0	0	0	113.5	W568 V574 L598	W568-L572 PolarHBondContact NE1-O 3.37Å; W568-L572 PolarHBondContact O-N 2.84Å; W568-L572 VanDerWaalsContact O-N 3.08Å; L572-V574 VanDerWaalsContact C-N 3.26Å; L572-V574 PolarHBondContact O-N 3.43Å; L572-L598 HydrophobicContact CD2-CD2 3.67Å
573	S	85.6	Confident	91.7	Very high	102 Å²	102	72.1 Å²	72.1	71%	0.713	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-11.9	-179.9	75.8	0	0	0	0	115.1	N571	N571-S573 PolarHBondContact O-N 3.16Å; N571-S573 VanDerWaalsContact O-N 3.08Å; N571-S573 PolarHBondContact OD1-N 2.97Å; N571-S573 PolarHBondContact OD1-OG 2.85Å
574	V	89.3	Confident	91.8	Very high	87 Å²	87	72.4 Å²	72.4	53%	0.527	37%	0.367	S	S	.	.	S	Bend	trans	-129.7	105.3	-176.8	-177.6	0	0	0	0	111.3	N571 L572	N571-V574 WeakPolarHBondContact ND2-CG2 3.27Å; N571-V574 PolarHBondContact O-N 2.85Å; N571-V574 VanDerWaalsContact O-N 3.12Å; L572-V574 VanDerWaalsContact C-N 3.26Å; L572-V574 PolarHBondContact O-N 3.43Å
575	R	91.6	Very high	91.6	Very high	102 Å²	102	77 Å²	77	39%	0.385	40%	0.399	S	S	.	.			trans	-53.9	126.2	173.1	-70.6	-178.1	176.5	-168.6	-2.4	111	W568 L579 L599 Y698 L769 C770	W568-R575 HydrophobicContact CH2-CG 4.41Å; W568-R575 HydrophobicContact CZ2-CG 3.79Å; R575-L579 HydrophobicContact CB-CD2 4.02Å; R575-L579 HydrophobicContact CG-CD2 4.1Å; R575-L599 PolarHBondContact NH2-O 2.96Å; R575-Y698 PolarHBondContact NH2-OH 2.93Å; R575-L769 PolarHBondContact NH1-O 3.06Å; R575-L769 PolarHBondContact NH2-O 2.83Å; R575-C770 PolarHBondContact NH1-O 2.79Å
576	P	92.4	Very high	91.5	Very high	24 Å²	24	77.1 Å²	77.1	16%	0.156	40%	0.402	C	S	.	.			trans	-60.7	143	-179.9	-27.2	35.5	0	0	0	113.6	L564 W568 Q578 L579	L564-P576 HydrophobicContact CD1-CB 4.21Å; L564-P576 HydrophobicContact CD2-CB 4.35Å; L564-P576 HydrophobicContact CD2-CG 3.94Å; L564-P576 HydrophobicContact CG-CB 4.05Å; L564-P576 HydrophobicContact CG-CG 4.08Å; W568-P576 HydrophobicContact CB-CG 3.76Å; W568-P576 HydrophobicContact CD2-CG 4.24Å; W568-P576 HydrophobicContact CG-CG 3.9Å; P576-Q578 PolarHBondContact O-N 2.96Å; P576-L579 WeakPolarHBondContact O-CB 3.44Å; P576-L579 PolarHBondContact O-N 2.99Å
577	R	90.9	Very high	91.6	Very high	253 Å²	253	73.9 Å²	73.9	96%	0.955	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.5	-176.2	-68.6	-174.7	-179.8	178.4	0.8	115.1
578	Q	91.6	Very high	91.6	Very high	131 Å²	131	69.4 Å²	69.4	61%	0.612	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-14.6	179.1	-71.8	166	-35.2	0	0	112.9	L564 P576 A581 L582	L564-Q578 HydrophobicContact CD1-CB 4.2Å; P576-Q578 PolarHBondContact O-N 2.96Å; Q578-A581 WeakPolarHBondContact O-CB 3.28Å; Q578-A581 PolarHBondContact O-N 3.42Å; Q578-A581 VanDerWaalsContact O-N 3.1Å; Q578-L582 PolarHBondContact O-N 3.15Å
579	L	93.6	Very high	91.4	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-55.6	-49.4	-172.5	177.6	68.2	0	0	0	113.3	W561 L564 W568 R575 P576 A581 L582 V583 L599	W561-L579 HydrophobicContact CH2-CD1 4.09Å; W561-L579 HydrophobicContact CZ3-CD1 3.86Å; L564-L579 HydrophobicContact CD1-CB 4.1Å; L564-L579 HydrophobicContact CD1-CD1 4.42Å; L564-L579 HydrophobicContact CD2-CD1 4Å; W568-L579 HydrophobicContact CE3-CD1 4.41Å; W568-L579 HydrophobicContact CE3-CD2 4.17Å; W568-L579 HydrophobicContact CH2-CD2 3.52Å; W568-L579 HydrophobicContact CZ2-CD2 4.21Å; W568-L579 HydrophobicContact CZ3-CD1 3.82Å; W568-L579 HydrophobicContact CZ3-CD2 3.48Å; W568-L579 VanDerWaalsContact CZ3-CD2 3.48Å; W568-L579 HydrophobicContact CZ3-CG 4.31Å; R575-L579 HydrophobicContact CB-CD2 4.02Å; R575-L579 HydrophobicContact CG-CD2 4.1Å; P576-L579 WeakPolarHBondContact O-CB 3.44Å; P576-L579 PolarHBondContact O-N 2.99Å; L579-A581 PolarHBondContact O-N 3.36Å; L579-L582 PolarHBondContact O-N 3.22Å; L579-L582 VanDerWaalsContact O-N 3.15Å; L579-V583 HydrophobicContact CD1-CG2 3.76Å; L579-V583 HydrophobicContact CG-CG2 4.05Å; L579-V583 VanDerWaalsContact O-CG2 3.3Å; L579-V583 WeakPolarHBondContact O-CG2 3.37Å; L579-V583 PolarHBondContact O-N 3.31Å; L579-L599 HydrophobicContact CD2-CD2 3.79Å
580	P	93.4	Very high	91.3	Very high	52 Å²	52	70.9 Å²	70.9	34%	0.338	38%	0.383	S	S	.	.	H	α-helix	trans	-64.5	-25.9	-178.7	-21	34.3	0	0	0	113.4	R584	P580-R584 VanDerWaalsContact O-CD 3.24Å; P580-R584 WeakPolarHBondContact O-CD 3.27Å; P580-R584 WeakPolarHBondContact O-CG 3.26Å; P580-R584 PolarHBondContact O-N 2.97Å
581	A	92.8	Very high	91.4	Very high	62 Å²	62	64.8 Å²	64.8	51%	0.512	35%	0.353	S	S	.	.	H	α-helix	trans	-74	-40	176.3	0	0	0	0	0	111.7	Q578 L579 S585	Q578-A581 WeakPolarHBondContact O-CB 3.28Å; Q578-A581 PolarHBondContact O-N 3.42Å; Q578-A581 VanDerWaalsContact O-N 3.1Å; L579-A581 PolarHBondContact O-N 3.36Å; A581-S585 PolarHBondContact O-OG 3.32Å
582	L	93.4	Very high	91.7	Very high	42 Å²	42	61.4 Å²	61.4	22%	0.22	34%	0.335	C	S	.	.	H	α-helix	trans	-73.1	-40.6	176.4	-63.5	-172.6	0	0	0	112.2	W561 L564 Q578 L579 R584 S585 G586	W561-L582 HydrophobicContact CD2-CD1 4.33Å; W561-L582 HydrophobicContact CH2-CB 4.01Å; W561-L582 HydrophobicContact CZ2-CB 3.51Å; L564-L582 HydrophobicContact CD1-CD1 3.88Å; Q578-L582 PolarHBondContact O-N 3.15Å; L579-L582 PolarHBondContact O-N 3.22Å; L579-L582 VanDerWaalsContact O-N 3.15Å; L582-R584 VanDerWaalsContact C-N 3.27Å; L582-R584 PolarHBondContact O-N 2.85Å; L582-S585 WeakPolarHBondContact O-CB 3.27Å; L582-S585 PolarHBondContact O-N 2.73Å; L582-G586 PolarHBondContact O-N 2.83Å
583	V	95	Very high	92	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-57.7	-40.1	175.7	172.7	0	0	0	0	111.5	W561 L579 S585 G586 I587 H763 D766 L767 C770	W561-V583 HydrophobicContact CH2-CG2 3.89Å; L579-V583 HydrophobicContact CD1-CG2 3.76Å; L579-V583 HydrophobicContact CG-CG2 4.05Å; L579-V583 VanDerWaalsContact O-CG2 3.3Å; L579-V583 WeakPolarHBondContact O-CG2 3.37Å; L579-V583 PolarHBondContact O-N 3.31Å; V583-S585 VanDerWaalsContact C-N 3.26Å; V583-S585 PolarHBondContact O-N 3.48Å; V583-G586 WeakPolarHBondContact O-CA 3.4Å; V583-G586 PolarHBondContact O-N 3.29Å; V583-I587 HydrophobicContact CG1-CD1 4.49Å; V583-I587 HydrophobicContact CG2-CD1 4.21Å; V583-I587 HydrophobicContact CG2-CG1 4.33Å; V583-H763 PolarHBondContact O-NE2 3.47Å; V583-D766 HydrophobicContact CG1-CB 4.08Å; V583-D766 WeakPolarHBondContact CG1-O 3.29Å; V583-L767 HydrophobicContact CG1-CD2 4.26Å; V583-C770 HydrophobicContact CB-CB 4.29Å; V583-C770 HydrophobicContact CG1-CB 3.71Å; V583-C770 HydrophobicContact CG2-CB 4.22Å
584	R	93	Very high	92.4	Very high	103 Å²	103	58.3 Å²	58.3	39%	0.389	31%	0.311	S	S	.	.	H	α-helix	trans	-63.7	-30.3	176.4	-72.7	168.5	-176.5	-163.8	-5	113.4	P580 L582 G586 H763 L767 E771 C825	P580-R584 VanDerWaalsContact O-CD 3.24Å; P580-R584 WeakPolarHBondContact O-CD 3.27Å; P580-R584 WeakPolarHBondContact O-CG 3.26Å; P580-R584 PolarHBondContact O-N 2.97Å; L582-R584 VanDerWaalsContact C-N 3.27Å; L582-R584 PolarHBondContact O-N 2.85Å; R584-G586 PolarHBondContact O-N 2.87Å; R584-H763 PolarHBondContact O-CE1 3.3Å; R584-H763 PolarHBondContact O-NE2 2.86Å; R584-L767 HydrophobicContact CG-CD2 3.81Å; R584-E771 IonicContact CZ-OE1 2.85Å; R584-E771 IonicContact CZ-OE2 3.99Å; R584-E771 IonicContact NE-OE1 3.69Å; R584-E771 PolarHBondContact NE-OE1 3.5Å; R584-E771 IonicContact NH2-OE1 2.8Å; R584-E771 PolarHBondContact NH2-OE1 3.36Å; R584-E771 IonicContact NH2-OE2 3.96Å; R584-E771 PolarHBondContact NH2-OE2 3.12Å; R584-C825 HydrophobicContact CG-CB 4.39Å
585	S	90.2	Very high	92.7	Very high	100 Å²	100	54.2 Å²	54.2	70%	0.699	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-3.9	172	-55.6	0	0	0	0	113.9	A581 L582 V583	A581-S585 PolarHBondContact O-OG 3.32Å; L582-S585 WeakPolarHBondContact O-CB 3.27Å; L582-S585 PolarHBondContact O-N 2.73Å; V583-S585 VanDerWaalsContact C-N 3.26Å; V583-S585 PolarHBondContact O-N 3.48Å
586	G	91.4	Very high	92.9	Very high	12 Å²	12	49.3 Å²	49.3	12%	0.124	27%	0.267	C	S	.	.			trans	94.1	138.8	-175.3	0	0	0	0	0	112.3	L582 V583 R584 H763	L582-G586 PolarHBondContact O-N 2.83Å; V583-G586 WeakPolarHBondContact O-CA 3.4Å; V583-G586 PolarHBondContact O-N 3.29Å; R584-G586 PolarHBondContact O-N 2.87Å; G586-H763 PolarHBondContact N-NE2 3.49Å
587	I	94.1	Very high	93.1	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	27%	0.269	C	S	.	.			trans	-83.8	133.5	173.8	-53.9	179.4	0	0	0	108.6	W561 V583 E589 L591 R592 V595 L599 D766	W561-I587 HydrophobicContact CH2-CB 4.42Å; W561-I587 HydrophobicContact CH2-CD1 4.37Å; W561-I587 HydrophobicContact CH2-CG1 3.76Å; W561-I587 HydrophobicContact CH2-CG2 4.29Å; W561-I587 HydrophobicContact CZ2-CB 4.32Å; W561-I587 HydrophobicContact CZ2-CG1 3.95Å; W561-I587 HydrophobicContact CZ2-CG2 4.4Å; V583-I587 HydrophobicContact CG1-CD1 4.49Å; V583-I587 HydrophobicContact CG2-CD1 4.21Å; V583-I587 HydrophobicContact CG2-CG1 4.33Å; I587-E589 PolarHBondContact O-N 3.36Å; I587-L591 HydrophobicContact CG2-CB 4.41Å; I587-R592 HydrophobicContact CB-CG 3.97Å; I587-R592 HydrophobicContact CG2-CG 3.83Å; I587-R592 VanDerWaalsContact O-CZ 3.23Å; I587-R592 PolarHBondContact O-NH2 3.42Å; I587-V595 HydrophobicContact CD1-CB 4.28Å; I587-V595 HydrophobicContact CD1-CG1 3.7Å; I587-V595 HydrophobicContact CG2-CB 4.17Å; I587-V595 HydrophobicContact CG2-CG1 4.44Å; I587-V595 HydrophobicContact CG2-CG2 4.15Å; I587-L599 HydrophobicContact CD1-CD1 4.29Å; I587-D766 HydrophobicContact CD1-CB 3.7Å; I587-D766 WeakPolarHBondContact CD1-OD1 3.43Å; I587-D766 HydrophobicContact CG1-CB 3.83Å; I587-D766 VanDerWaalsContact CG1-CG 3.43Å; I587-D766 PolarHBondContact N-OD2 3.27Å
588	P	92.7	Very high	93.3	Very high	10 Å²	10	38.7 Å²	38.7	7%	0.065	23%	0.227	C	C	.	.			trans	-57.5	133.7	173.1	-27	36.1	0	0	0	111.6	C553 I557 L558 W561 A590 L591 R592	C553-P588 HydrophobicContact CB-CB 4.36Å; I557-P588 HydrophobicContact CG2-CG 3.92Å; L558-P588 HydrophobicContact CD2-CB 4.04Å; L558-P588 HydrophobicContact CD2-CG 4.37Å; W561-P588 HydrophobicContact CG-CG 4.12Å; W561-P588 VanDerWaalsContact NE1-CD 3.32Å; P588-A590 VanDerWaalsContact C-N 3.31Å; P588-A590 PolarHBondContact O-N 2.88Å; P588-L591 HydrophobicContact CB-CD1 4.17Å; P588-L591 HydrophobicContact CB-CG 4.25Å; P588-L591 HydrophobicContact CG-CD1 4.13Å; P588-L591 WeakPolarHBondContact O-CA 3.2Å; P588-L591 PolarHBondContact O-N 3.49Å; P588-R592 PolarHBondContact O-N 3.32Å
589	E	89	Confident	93.4	Very high	30 Å²	30	32.7 Å²	32.7	14%	0.14	20%	0.199	C	C	.	.	H	α-helix	trans	-48.3	-49.8	-174.2	-174.9	70.4	168.4	0	0	113.1	V549 K551 I587 L591 R592 H681 F762	V549-E589 HydrophobicContact CG1-CG 4.24Å; V549-E589 WeakPolarHBondContact CG1-OE2 3.35Å; K551-E589 HydrophobicContact CG-CG 3.95Å; I587-E589 PolarHBondContact O-N 3.36Å; E589-L591 PolarHBondContact O-N 2.95Å; E589-L591 VanDerWaalsContact O-N 3.09Å; E589-R592 PolarHBondContact O-N 2.91Å; E589-R592 IonicContact OE2-CZ 2.92Å; E589-R592 IonicContact OE2-NH1 2.82Å; E589-R592 PolarHBondContact OE2-NH1 3.23Å; E589-H681 IonicContact OE1-NE2 2.85Å; E589-H681 IonicContact OE2-NE2 3.78Å; E589-H681 PolarHBondContact OE2-NE2 3.42Å; E589-F762 WeakPolarHBondContact OE1-CE2 3.5Å; E589-F762 WeakPolarHBondContact OE2-CD2 3.39Å
590	A	88.2	Confident	93.5	Very high	87 Å²	87	33 Å²	33	72%	0.719	20%	0.201	S	C	*	.	H	α-helix	trans	-65	-11.8	-179.8	0	0	0	0	0	115	P588	P588-A590 VanDerWaalsContact C-N 3.31Å; P588-A590 PolarHBondContact O-N 2.88Å
591	L	93.4	Very high	93.3	Very high	31 Å²	31	32.4 Å²	32.4	16%	0.162	20%	0.204	C	C	.	.	H	α-helix	trans	-107.2	-11.3	179.7	-57.7	-178.4	0	0	0	113.1	L558 W561 L565 I587 P588 E589 G593 E594 V595	L558-L591 HydrophobicContact CD2-CD1 4.24Å; W561-L591 HydrophobicContact CB-CD1 3.55Å; W561-L591 HydrophobicContact CG-CD1 4.11Å; L565-L591 HydrophobicContact CD1-CD1 4.19Å; L565-L591 HydrophobicContact CD1-CD2 4.33Å; I587-L591 HydrophobicContact CG2-CB 4.41Å; P588-L591 HydrophobicContact CB-CD1 4.17Å; P588-L591 HydrophobicContact CB-CG 4.25Å; P588-L591 HydrophobicContact CG-CD1 4.13Å; P588-L591 WeakPolarHBondContact O-CA 3.2Å; P588-L591 PolarHBondContact O-N 3.49Å; E589-L591 PolarHBondContact O-N 2.95Å; E589-L591 VanDerWaalsContact O-N 3.09Å; L591-G593 VanDerWaalsContact C-N 3.33Å; L591-G593 PolarHBondContact O-N 3.25Å; L591-E594 PolarHBondContact O-N 2.89Å; L591-V595 HydrophobicContact CB-CG2 4.21Å; L591-V595 WeakPolarHBondContact O-CG2 3.36Å; L591-V595 PolarHBondContact O-N 3.05Å
592	R	95.6	Very high	93	Very high	6 Å²	6	29.7 Å²	29.7	2%	0.023	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-42.8	-177	-80.3	-179.7	165.2	129.3	3.3	112.8	I587 P588 E589 E594 V595 W596 H681 F762 D766	I587-R592 HydrophobicContact CB-CG 3.97Å; I587-R592 HydrophobicContact CG2-CG 3.83Å; I587-R592 VanDerWaalsContact O-CZ 3.23Å; I587-R592 PolarHBondContact O-NH2 3.42Å; P588-R592 PolarHBondContact O-N 3.32Å; E589-R592 PolarHBondContact O-N 2.91Å; E589-R592 IonicContact OE2-CZ 2.92Å; E589-R592 IonicContact OE2-NH1 2.82Å; E589-R592 PolarHBondContact OE2-NH1 3.23Å; R592-E594 VanDerWaalsContact C-N 3.3Å; R592-E594 PolarHBondContact O-N 2.83Å; R592-V595 PolarHBondContact O-N 3.06Å; R592-W596 HydrophobicContact CB-CD2 4.21Å; R592-W596 HydrophobicContact CB-CZ2 4.18Å; R592-W596 HydrophobicContact CG-CZ2 4.04Å; R592-W596 WeakPolarHBondContact O-CB 3.48Å; R592-W596 PolarHBondContact O-N 2.82Å; R592-H681 HydrophobicContact CB-CB 4.45Å; R592-H681 VanDerWaalsContact CB-CD2 3.47Å; R592-H681 WeakPolarHBondContact CB-CD2 3.45Å; R592-H681 WeakPolarHBondContact CD-NE2 3.16Å; R592-F762 VanDerWaalsContact CZ-CB 3.49Å; R592-D766 IonicContact CZ-OD1 3.21Å; R592-D766 IonicContact CZ-OD2 2.7Å; R592-D766 IonicContact NE-OD1 3.71Å; R592-D766 PolarHBondContact NE-OD1 3.05Å; R592-D766 IonicContact NE-OD2 2.81Å; R592-D766 PolarHBondContact NE-OD2 2.97Å; R592-D766 IonicContact NH2-OD1 2.77Å; R592-D766 IonicContact NH2-OD2 2.8Å; R592-D766 PolarHBondContact NH2-OD2 3.12Å
593	G	94.3	Very high	92.1	Very high	11 Å²	11	31.1 Å²	31.1	11%	0.113	19%	0.187	C	C	.	.	H	α-helix	trans	-54.5	-42.5	178.1	0	0	0	0	0	113.8	L591 Q597 H681	L591-G593 VanDerWaalsContact C-N 3.33Å; L591-G593 PolarHBondContact O-N 3.25Å; G593-Q597 WeakPolarHBondContact O-CG 3.42Å; G593-Q597 PolarHBondContact O-NE2 3.4Å; G593-H681 WeakPolarHBondContact CA-O 3.29Å
594	E	94.1	Very high	90.7	Very high	77 Å²	77	37.8 Å²	37.8	36%	0.36	22%	0.223	S	C	.	.	H	α-helix	trans	-77.1	-52.3	177	-178.6	-178.4	-145.8	0	0	111.3	L565 H569 L591 R592 W596 Q597 L598	L565-E594 WeakPolarHBondContact CD1-OE2 3.34Å; L565-E594 HydrophobicContact CD2-CG 4.34Å; H569-E594 IonicContact CE1-OE1 2.76Å; H569-E594 PolarHBondContact CE1-OE1 3.27Å; H569-E594 IonicContact NE2-OE1 3.75Å; L591-E594 PolarHBondContact O-N 2.89Å; R592-E594 VanDerWaalsContact C-N 3.3Å; R592-E594 PolarHBondContact O-N 2.83Å; E594-W596 VanDerWaalsContact C-N 3.33Å; E594-W596 PolarHBondContact O-N 2.84Å; E594-Q597 PolarHBondContact O-N 2.99Å; E594-L598 HydrophobicContact CG-CD1 4.17Å; E594-L598 WeakPolarHBondContact O-CG 3.42Å; E594-L598 PolarHBondContact O-N 3.17Å
595	V	95.8	Very high	90	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-35.8	-173.9	-178	0	0	0	0	111.9	W561 L565 W568 I587 L591 R592 L598 L599	W561-V595 HydrophobicContact CE3-CG2 4.28Å; W561-V595 HydrophobicContact CH2-CG1 4.48Å; W561-V595 HydrophobicContact CZ3-CG1 4.02Å; W561-V595 HydrophobicContact CZ3-CG2 4.06Å; L565-V595 HydrophobicContact CD1-CG2 4.39Å; L565-V595 HydrophobicContact CD2-CG2 4.05Å; W568-V595 HydrophobicContact CZ3-CG1 4.4Å; I587-V595 HydrophobicContact CD1-CB 4.28Å; I587-V595 HydrophobicContact CD1-CG1 3.7Å; I587-V595 HydrophobicContact CG2-CB 4.17Å; I587-V595 HydrophobicContact CG2-CG1 4.44Å; I587-V595 HydrophobicContact CG2-CG2 4.15Å; L591-V595 HydrophobicContact CB-CG2 4.21Å; L591-V595 WeakPolarHBondContact O-CG2 3.36Å; L591-V595 PolarHBondContact O-N 3.05Å; R592-V595 PolarHBondContact O-N 3.06Å; V595-L598 PolarHBondContact O-N 3.44Å; V595-L599 HydrophobicContact CG1-CD1 4Å; V595-L599 HydrophobicContact CG1-CG 4.23Å; V595-L599 WeakPolarHBondContact O-CB 3.43Å; V595-L599 VanDerWaalsContact O-CG 3.27Å; V595-L599 WeakPolarHBondContact O-CG 3.42Å; V595-L599 PolarHBondContact O-N 2.81Å
596	W	97.1	Very high	89.6	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-40.9	175.7	-69.4	-0.2	0	0	0	111.9	R592 E594 L599 A600 V677 L678 H681 M682 F762 I765 D766 L769	R592-W596 HydrophobicContact CB-CD2 4.21Å; R592-W596 HydrophobicContact CB-CZ2 4.18Å; R592-W596 HydrophobicContact CG-CZ2 4.04Å; R592-W596 WeakPolarHBondContact O-CB 3.48Å; R592-W596 PolarHBondContact O-N 2.82Å; E594-W596 VanDerWaalsContact C-N 3.33Å; E594-W596 PolarHBondContact O-N 2.84Å; W596-L599 PolarHBondContact O-N 2.99Å; W596-A600 VanDerWaalsContact O-CB 3.22Å; W596-A600 WeakPolarHBondContact O-CB 3.29Å; W596-A600 PolarHBondContact O-N 2.94Å; W596-V677 HydrophobicContact CH2-CG1 3.73Å; W596-V677 HydrophobicContact CZ3-CG1 3.91Å; W596-L678 HydrophobicContact CE3-CD2 3.85Å; W596-L678 HydrophobicContact CZ3-CD2 4.08Å; W596-H681 HydrophobicContact CE3-CB 4.33Å; W596-H681 AromaticContact CH2-CE1 3.43Å; W596-H681 VanDerWaalsContact CH2-CE1 3.43Å; W596-H681 WeakPolarHBondContact CH2-CE1 3.28Å; W596-H681 AromaticContact CH2-ND1 3.44Å; W596-H681 WeakPolarHBondContact CH2-ND1 3.32Å; W596-H681 HydrophobicContact CZ3-CB 4.12Å; W596-H681 AromaticContact CZ3-CE1 3.82Å; W596-H681 AromaticContact CZ3-CG 3.76Å; W596-H681 AromaticContact CZ3-ND1 3.3Å; W596-H681 VanDerWaalsContact CZ3-ND1 3.3Å; W596-H681 WeakPolarHBondContact CZ3-ND1 3.45Å; W596-M682 HydrophobicContact CB-CE 4.2Å; W596-M682 HydrophobicContact CE3-CE 3.85Å; W596-F762 HydrophobicContact CH2-CB 4.44Å; W596-F762 HydrophobicContact CH2-CD1 4.42Å; W596-F762 HydrophobicContact CZ2-CB 4.29Å; W596-I765 HydrophobicContact CD2-CG2 3.89Å; W596-I765 HydrophobicContact CE3-CG2 4.06Å; W596-I765 HydrophobicContact CH2-CB 4.07Å; W596-I765 HydrophobicContact CH2-CG2 3.9Å; W596-I765 HydrophobicContact CZ2-CB 3.81Å; W596-I765 HydrophobicContact CZ2-CG2 3.71Å; W596-I765 HydrophobicContact CZ3-CG2 4.07Å; W596-D766 PolarHBondContact NE1-OD1 2.84Å; W596-L769 HydrophobicContact CB-CD1 3.57Å; W596-L769 HydrophobicContact CD2-CD1 4.22Å; W596-L769 HydrophobicContact CG-CD1 3.61Å
597	Q	95.1	Very high	89.6	Confident	42 Å²	42	41.8 Å²	41.8	20%	0.196	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-39.8	173.6	-72.7	177.7	78.3	0	0	111.9	G593 E594 A600 G601 C602 M682 Q686 V690	G593-Q597 WeakPolarHBondContact O-CG 3.42Å; G593-Q597 PolarHBondContact O-NE2 3.4Å; E594-Q597 PolarHBondContact O-N 2.99Å; Q597-A600 PolarHBondContact O-N 3.38Å; Q597-G601 PolarHBondContact O-N 2.86Å; Q597-C602 HydrophobicContact CB-CB 4.28Å; Q597-C602 HydrophobicContact CG-CB 4.42Å; Q597-C602 PolarHBondContact O-N 2.64Å; Q597-M682 HydrophobicContact CG-SD 3.93Å; Q597-Q686 VanDerWaalsContact OE1-CG 3.27Å; Q597-V690 HydrophobicContact CG-CG2 3.82Å
598	L	94.6	Very high	89.3	Confident	12 Å²	12	42 Å²	42	6%	0.063	24%	0.238	C	C	.	.	H	α-helix	trans	-66.1	-40.1	175	-68.9	-178.9	0	0	0	112.6	L565 W568 L572 E594 V595 G601 H603	L565-L598 HydrophobicContact CD2-CD1 3.59Å; W568-L598 HydrophobicContact CD2-CB 4.5Å; W568-L598 HydrophobicContact CD2-CD1 4.25Å; W568-L598 HydrophobicContact CE3-CB 4.34Å; W568-L598 HydrophobicContact CE3-CD1 4.04Å; W568-L598 HydrophobicContact CH2-CB 3.58Å; W568-L598 HydrophobicContact CZ2-CB 3.77Å; W568-L598 WeakPolarHBondContact CZ2-O 3.07Å; W568-L598 HydrophobicContact CZ3-CB 3.9Å; W568-L598 HydrophobicContact CZ3-CD1 4.29Å; L572-L598 HydrophobicContact CD2-CD2 3.67Å; E594-L598 HydrophobicContact CG-CD1 4.17Å; E594-L598 WeakPolarHBondContact O-CG 3.42Å; E594-L598 PolarHBondContact O-N 3.17Å; V595-L598 PolarHBondContact O-N 3.44Å; L598-G601 PolarHBondContact O-N 3.49Å; L598-H603 HydrophobicContact CD2-CB 4.33Å
599	L	95.3	Very high	89.2	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-66.9	-44.5	174.4	-75.1	170.9	0	0	0	111.7	W568 R575 L579 I587 V595 W596 G601 Y698 L769 C770	W568-L599 HydrophobicContact CH2-CD2 3.9Å; W568-L599 HydrophobicContact CH2-CG 4.03Å; R575-L599 PolarHBondContact NH2-O 2.96Å; L579-L599 HydrophobicContact CD2-CD2 3.79Å; I587-L599 HydrophobicContact CD1-CD1 4.29Å; V595-L599 HydrophobicContact CG1-CD1 4Å; V595-L599 HydrophobicContact CG1-CG 4.23Å; V595-L599 WeakPolarHBondContact O-CB 3.43Å; V595-L599 VanDerWaalsContact O-CG 3.27Å; V595-L599 WeakPolarHBondContact O-CG 3.42Å; V595-L599 PolarHBondContact O-N 2.81Å; W596-L599 PolarHBondContact O-N 2.99Å; L599-G601 PolarHBondContact O-N 2.82Å; L599-Y698 PolarHBondContact O-OH 3.47Å; L599-Y698 VanDerWaalsContact O-OH 3.12Å; L599-L769 HydrophobicContact CB-CB 3.75Å; L599-L769 HydrophobicContact CD1-CB 3.82Å; L599-L769 HydrophobicContact CG-CB 4.39Å; L599-C770 HydrophobicContact CD1-CB 4.38Å; L599-C770 HydrophobicContact CD2-CB 4.14Å
600	A	94.1	Very high	89.3	Confident	6 Å²	6	45.9 Å²	45.9	5%	0.05	26%	0.256	C	S	.	.	H	α-helix	trans	-71.8	-13.2	178.5	0	0	0	0	0	114	W596 Q597 V690 K693 L769	W596-A600 VanDerWaalsContact O-CB 3.22Å; W596-A600 WeakPolarHBondContact O-CB 3.29Å; W596-A600 PolarHBondContact O-N 2.94Å; Q597-A600 PolarHBondContact O-N 3.38Å; A600-V690 HydrophobicContact CB-CG1 4.16Å; A600-V690 HydrophobicContact CB-CG2 4.27Å; A600-K693 HydrophobicContact CB-CB 4.19Å; A600-L769 HydrophobicContact CB-CD2 4.32Å
601	G	90.7	Very high	89.6	Confident	39 Å²	39	44.6 Å²	44.6	40%	0.402	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	28.7	-176.2	0	0	0	0	0	113.6	Q597 L598 L599	Q597-G601 PolarHBondContact O-N 2.86Å; L598-G601 PolarHBondContact O-N 3.49Å; L599-G601 PolarHBondContact O-N 2.82Å
602	C	85.3	Confident	89.7	Confident	6 Å²	6	43.2 Å²	43.2	4%	0.041	23%	0.228	C	C	.	.			trans	-88.6	1.8	-177.7	-67.2	0	0	0	0	114.5	Q597 N604 N605 V690 K693	Q597-C602 HydrophobicContact CB-CB 4.28Å; Q597-C602 HydrophobicContact CG-CB 4.42Å; Q597-C602 PolarHBondContact O-N 2.64Å; C602-N604 PolarHBondContact O-N 3.05Å; C602-N605 PolarHBondContact O-N 3.27Å; C602-V690 HydrophobicContact CB-CG2 4.19Å; C602-K693 WeakPolarHBondContact SG-CG 3.46Å
603	H	74.5	Confident	89.7	Confident	71 Å²	71	48.1 Å²	48.1	33%	0.329	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	122.5	-176.6	52.3	-99.1	0	0	0	111.4	L598 N605	L598-H603 HydrophobicContact CD2-CB 4.33Å; H603-N605 VanDerWaalsContact C-N 3.33Å; H603-N605 PolarHBondContact O-N 2.76Å
604	N	65.3	Low	89.8	Confident	140 Å²	140	51 Å²	51	75%	0.749	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	37.3	-179.9	-49.8	-0.2	0	0	0	114.1	C602 D606	C602-N604 PolarHBondContact O-N 3.05Å; N604-D606 PolarHBondContact O-N 2.7Å
605	N	78.5	Confident	89.9	Confident	46 Å²	46	47.6 Å²	47.6	25%	0.246	25%	0.246	C	C	.	.			trans	-82.4	62.4	175.3	-164.9	-9	0	0	0	112.2	C602 H603 H607 L608 V609	C602-N605 PolarHBondContact O-N 3.27Å; H603-N605 VanDerWaalsContact C-N 3.33Å; H603-N605 PolarHBondContact O-N 2.76Å; N605-H607 PolarHBondContact O-N 2.68Å; N605-H607 VanDerWaalsContact O-N 3.08Å; N605-L608 VanDerWaalsContact ND2-CD1 3.29Å; N605-L608 WeakPolarHBondContact ND2-CD1 3.44Å; N605-L608 PolarHBondContact O-N 3.02Å; N605-L608 VanDerWaalsContact O-N 3.14Å; N605-L608 PolarHBondContact OD1-N 2.7Å; N605-V609 PolarHBondContact O-N 2.93Å
606	D	83.1	Confident	89.9	Confident	119 Å²	119	49.7 Å²	49.7	64%	0.636	26%	0.257	S	S	*	.	H	α-helix	trans	-58.7	-24.1	-177	-56.7	-14.9	0	0	0	112.5	N604 V609 E610	N604-D606 PolarHBondContact O-N 2.7Å; D606-V609 PolarHBondContact O-N 3.07Å; D606-E610 PolarHBondContact O-N 3.18Å
607	H	89.9	Confident	89.9	Confident	134 Å²	134	55 Å²	55	62%	0.62	29%	0.289	S	S	*	.	H	α-helix	trans	-65.8	-51.5	174.7	-173.4	-66.6	0	0	0	112.3	N605 V609 E610 E611	N605-H607 PolarHBondContact O-N 2.68Å; N605-H607 VanDerWaalsContact O-N 3.08Å; H607-V609 PolarHBondContact O-N 3.31Å; H607-E610 PolarHBondContact O-N 2.86Å; H607-E611 IonicContact CE1-OE2 3.16Å; H607-E611 PolarHBondContact CE1-OE2 2.89Å; H607-E611 VanDerWaalsContact CE1-OE2 3.26Å; H607-E611 IonicContact ND1-OE2 2.69Å; H607-E611 PolarHBondContact ND1-OE2 3.42Å; H607-E611 WeakPolarHBondContact O-CB 3.41Å; H607-E611 PolarHBondContact O-N 3.34Å
608	L	88.9	Confident	89.8	Confident	10 Å²	10	57.6 Å²	57.6	5%	0.052	30%	0.3	C	S	.	.	H	α-helix	trans	-63.9	-28.3	177.5	-81.5	-175	0	0	0	111.9	N605 Y612 Y661 F688 V692	N605-L608 VanDerWaalsContact ND2-CD1 3.29Å; N605-L608 WeakPolarHBondContact ND2-CD1 3.44Å; N605-L608 PolarHBondContact O-N 3.02Å; N605-L608 VanDerWaalsContact O-N 3.14Å; N605-L608 PolarHBondContact OD1-N 2.7Å; L608-Y612 WeakPolarHBondContact O-CB 3.16Å; L608-Y612 PolarHBondContact O-N 2.77Å; L608-Y661 HydrophobicContact CD2-CE2 4.13Å; L608-F688 HydrophobicContact CD2-CE1 4.38Å; L608-V692 HydrophobicContact CD1-CB 4.27Å; L608-V692 HydrophobicContact CD1-CG1 4.1Å; L608-V692 HydrophobicContact CD2-CG1 4.45Å
609	V	90.4	Very high	89.8	Confident	16 Å²	16	65.5 Å²	65.5	10%	0.097	34%	0.336	C	S	.	.	H	α-helix	trans	-68.8	-47.6	175.8	171.8	0	0	0	0	111.7	N605 D606 H607 Y612 R613 E685	N605-V609 PolarHBondContact O-N 2.93Å; D606-V609 PolarHBondContact O-N 3.07Å; H607-V609 PolarHBondContact O-N 3.31Å; V609-Y612 WeakPolarHBondContact O-CB 3.47Å; V609-Y612 PolarHBondContact O-N 3Å; V609-R613 VanDerWaalsContact CG1-NH2 3.27Å; V609-R613 WeakPolarHBondContact O-CG 3.43Å; V609-R613 PolarHBondContact O-N 2.82Å; V609-R613 VanDerWaalsContact O-N 3.17Å; V609-E685 HydrophobicContact CG1-CB 4.25Å; V609-E685 HydrophobicContact CG1-CG 4.39Å; V609-E685 VanDerWaalsContact CG1-OE2 3.31Å; V609-E685 WeakPolarHBondContact CG1-OE2 3.42Å; V609-E685 HydrophobicContact CG2-CB 4.22Å
610	E	91.7	Very high	89.8	Confident	106 Å²	106	66 Å²	66	50%	0.495	34%	0.341	S	S	.	.	H	α-helix	trans	-73.4	-32.9	178.7	-163.8	63	-166.3	0	0	112.2	D606 H607 R613 T614	D606-E610 PolarHBondContact O-N 3.18Å; H607-E610 PolarHBondContact O-N 2.86Å; E610-R613 PolarHBondContact O-N 3.28Å; E610-R613 WeakPolarHBondContact OE2-CD 3.35Å; E610-R613 IonicContact OE2-CZ 2.64Å; E610-R613 IonicContact OE2-NE 3.24Å; E610-R613 IonicContact OE2-NH1 2.7Å; E610-R613 PolarHBondContact OE2-NH1 3.3Å; E610-T614 PolarHBondContact O-N 2.7Å; E610-T614 VanDerWaalsContact O-N 3.13Å; E610-T614 PolarHBondContact O-OG1 2.72Å
611	E	93.6	Very high	89.5	Confident	60 Å²	60	71.4 Å²	71.4	28%	0.28	38%	0.375	S	S	.	.	H	α-helix	trans	-64.3	-41.1	170.3	-172.7	167.4	-161	0	0	111.2	H607 R613 T614 L615 Y661	H607-E611 IonicContact CE1-OE2 3.16Å; H607-E611 PolarHBondContact CE1-OE2 2.89Å; H607-E611 VanDerWaalsContact CE1-OE2 3.26Å; H607-E611 IonicContact ND1-OE2 2.69Å; H607-E611 PolarHBondContact ND1-OE2 3.42Å; H607-E611 WeakPolarHBondContact O-CB 3.41Å; H607-E611 PolarHBondContact O-N 3.34Å; E611-R613 PolarHBondContact O-N 3.38Å; E611-T614 CarbonylContact O-C 3.5Å; E611-T614 WeakPolarHBondContact O-CA 3.42Å; E611-T614 WeakPolarHBondContact O-CB 3.27Å; E611-T614 PolarHBondContact O-N 3.04Å; E611-T614 VanDerWaalsContact O-N 3.08Å; E611-L615 HydrophobicContact CG-CD1 4.01Å; E611-L615 HydrophobicContact CG-CG 4.38Å; E611-L615 VanDerWaalsContact O-CG 3.24Å; E611-L615 WeakPolarHBondContact O-CG 3.49Å; E611-L615 PolarHBondContact O-N 3.14Å; E611-Y661 WeakPolarHBondContact OE1-CE2 3.28Å
612	Y	96.4	Very high	89.6	Confident	1 Å²	1	72.2 Å²	72.2	0%	0.004	37%	0.368	C	S	.	.	H	α-helix	trans	-57.7	-48.5	173.9	180	-106.7	0	0	0	112.6	L608 V609 T614 L615 I616 K653 I654 A657 E684 E685 F688	L608-Y612 WeakPolarHBondContact O-CB 3.16Å; L608-Y612 PolarHBondContact O-N 2.77Å; V609-Y612 WeakPolarHBondContact O-CB 3.47Å; V609-Y612 PolarHBondContact O-N 3Å; Y612-T614 PolarHBondContact O-N 3.47Å; Y612-L615 PolarHBondContact O-N 2.92Å; Y612-I616 HydrophobicContact CD1-CG2 4.41Å; Y612-I616 HydrophobicContact CD2-CG2 4.28Å; Y612-I616 HydrophobicContact CE1-CG2 3.9Å; Y612-I616 HydrophobicContact CE2-CG2 3.77Å; Y612-I616 PolarHBondContact O-N 2.94Å; Y612-K653 VanDerWaalsContact OH-C 3.32Å; Y612-K653 WeakPolarHBondContact OH-CB 3.49Å; Y612-I654 HydrophobicContact CE2-CG1 4.46Å; Y612-I654 PolarHBondContact OH-N 2.86Å; Y612-A657 HydrophobicContact CD2-CB 3.56Å; Y612-A657 HydrophobicContact CE2-CB 3.4Å; Y612-E684 HydrophobicContact CE1-CG 3.97Å; Y612-E684 WeakPolarHBondContact CE1-OE1 3.3Å; Y612-E684 VanDerWaalsContact OH-CG 3.24Å; Y612-E684 WeakPolarHBondContact OH-CG 3.45Å; Y612-E684 PolarHBondContact OH-OE1 3.1Å; Y612-E685 HydrophobicContact CD1-CB 4.4Å; Y612-E685 HydrophobicContact CD1-CG 4.07Å; Y612-E685 HydrophobicContact CE1-CG 4.4Å; Y612-F688 HydrophobicContact CD2-CB 3.63Å; Y612-F688 AromaticContact CD2-CD1 3.41Å; Y612-F688 HydrophobicContact CD2-CD1 3.41Å; Y612-F688 VanDerWaalsContact CD2-CD1 3.41Å; Y612-F688 AromaticContact CD2-CD2 3.58Å; Y612-F688 HydrophobicContact CD2-CD2 3.58Å; Y612-F688 AromaticContact CD2-CE1 3.89Å; Y612-F688 HydrophobicContact CD2-CE1 3.89Å; Y612-F688 HydrophobicContact CD2-CE2 4.05Å; Y612-F688 AromaticContact CD2-CG 3.23Å; Y612-F688 HydrophobicContact CD2-CG 3.23Å; Y612-F688 HydrophobicContact CD2-CZ 4.19Å; Y612-F688 HydrophobicContact CE2-CB 3.7Å; Y612-F688 HydrophobicContact CE2-CD1 4.31Å; Y612-F688 AromaticContact CE2-CD2 3.82Å; Y612-F688 HydrophobicContact CE2-CD2 3.82Å; Y612-F688 AromaticContact CE2-CG 3.68Å; Y612-F688 HydrophobicContact CE2-CG 3.68Å; Y612-F688 HydrophobicContact CG-CB 4.3Å; Y612-F688 AromaticContact CG-CD1 3.86Å; Y612-F688 HydrophobicContact CG-CD1 3.86Å; Y612-F688 HydrophobicContact CG-CE1 4.37Å; Y612-F688 HydrophobicContact CG-CG 4.06Å
613	R	94.9	Very high	89.9	Confident	110 Å²	110	74.7 Å²	74.7	42%	0.415	38%	0.381	S	S	.	.	H	α-helix	trans	-58	-32.7	174.7	-67.1	170.2	-171.6	152	4	112.5	V609 E610 E611 I616 E685	V609-R613 VanDerWaalsContact CG1-NH2 3.27Å; V609-R613 WeakPolarHBondContact O-CG 3.43Å; V609-R613 PolarHBondContact O-N 2.82Å; V609-R613 VanDerWaalsContact O-N 3.17Å; E610-R613 PolarHBondContact O-N 3.28Å; E610-R613 WeakPolarHBondContact OE2-CD 3.35Å; E610-R613 IonicContact OE2-CZ 2.64Å; E610-R613 IonicContact OE2-NE 3.24Å; E610-R613 IonicContact OE2-NH1 2.7Å; E610-R613 PolarHBondContact OE2-NH1 3.3Å; E611-R613 PolarHBondContact O-N 3.38Å; R613-I616 WeakPolarHBondContact O-CG1 3.4Å; R613-E685 IonicContact CZ-OE1 2.67Å; R613-E685 IonicContact NE-OE1 3.69Å; R613-E685 PolarHBondContact NE-OE1 2.91Å; R613-E685 IonicContact NH2-OE1 2.86Å; R613-E685 PolarHBondContact NH2-OE1 3.41Å; R613-E685 IonicContact NH2-OE2 3.15Å; R613-E685 PolarHBondContact NH2-OE2 2.96Å
614	T	95.9	Very high	90.7	Very high	71 Å²	71	75.8 Å²	75.8	44%	0.436	40%	0.397	S	S	.	.	H	α-helix	trans	-78	-28.5	175	-54.4	0	0	0	0	112.7	E610 E611 Y612 T617	E610-T614 PolarHBondContact O-N 2.7Å; E610-T614 VanDerWaalsContact O-N 3.13Å; E610-T614 PolarHBondContact O-OG1 2.72Å; E611-T614 CarbonylContact O-C 3.5Å; E611-T614 WeakPolarHBondContact O-CA 3.42Å; E611-T614 WeakPolarHBondContact O-CB 3.27Å; E611-T614 PolarHBondContact O-N 3.04Å; E611-T614 VanDerWaalsContact O-N 3.08Å; Y612-T614 PolarHBondContact O-N 3.47Å; T614-T617 PolarHBondContact O-OG1 3.43Å; T614-T617 VanDerWaalsContact O-OG1 3.05Å
615	L	96.4	Very high	92	Very high	5 Å²	5	70.2 Å²	70.2	3%	0.026	37%	0.37	C	S	.	.	H	α-helix	trans	-78.5	-40.6	-179.3	-73.9	162.5	0	0	0	112.7	E611 Y612 T617 K618 A657 V660 Y661 F688	E611-L615 HydrophobicContact CG-CD1 4.01Å; E611-L615 HydrophobicContact CG-CG 4.38Å; E611-L615 VanDerWaalsContact O-CG 3.24Å; E611-L615 WeakPolarHBondContact O-CG 3.49Å; E611-L615 PolarHBondContact O-N 3.14Å; Y612-L615 PolarHBondContact O-N 2.92Å; L615-T617 PolarHBondContact O-N 3.39Å; L615-K618 WeakPolarHBondContact O-CB 3.32Å; L615-K618 PolarHBondContact O-N 3.45Å; L615-K618 VanDerWaalsContact O-N 3.09Å; L615-A657 HydrophobicContact CB-CB 3.77Å; L615-A657 HydrophobicContact CD1-CB 4.42Å; L615-V660 HydrophobicContact CD2-CB 4Å; L615-V660 HydrophobicContact CD2-CG1 3.86Å; L615-Y661 HydrophobicContact CD1-CD2 3.94Å; L615-Y661 HydrophobicContact CD1-CG 4.32Å; L615-F688 HydrophobicContact CD1-CE1 4.28Å; L615-F688 HydrophobicContact CD1-CE2 4.38Å; L615-F688 HydrophobicContact CD1-CZ 3.64Å
616	I	96.4	Very high	92.8	Very high	45 Å²	45	68 Å²	68	23%	0.231	36%	0.358	C	S	.	.	H	α-helix	trans	-62.2	-26.1	-177.4	58.5	175.5	0	0	0	113.5	Y612 R613 K618 K653 K656 A657	Y612-I616 HydrophobicContact CD1-CG2 4.41Å; Y612-I616 HydrophobicContact CD2-CG2 4.28Å; Y612-I616 HydrophobicContact CE1-CG2 3.9Å; Y612-I616 HydrophobicContact CE2-CG2 3.77Å; Y612-I616 PolarHBondContact O-N 2.94Å; R613-I616 WeakPolarHBondContact O-CG1 3.4Å; I616-K618 VanDerWaalsContact C-N 3.35Å; I616-K653 HydrophobicContact CG2-CB 3.95Å; I616-K656 PolarHBondContact O-NZ 3.16Å; I616-A657 HydrophobicContact CG2-CB 4.05Å
617	T	95.9	Very high	93.3	Very high	111 Å²	111	65 Å²	65	68%	0.681	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-17.5	177.9	62.1	0	0	0	0	113.7	T614 L615	T614-T617 PolarHBondContact O-OG1 3.43Å; T614-T617 VanDerWaalsContact O-OG1 3.05Å; L615-T617 PolarHBondContact O-N 3.39Å
618	K	94.9	Very high	93.5	Very high	96 Å²	96	65.3 Å²	65.3	42%	0.417	34%	0.34	S	S	.	.	S	Bend	trans	-80.4	156.9	175.5	-60.3	172.4	-175.6	174.6	0	110.3	L615 I616 K656 V660	L615-K618 WeakPolarHBondContact O-CB 3.32Å; L615-K618 PolarHBondContact O-N 3.45Å; L615-K618 VanDerWaalsContact O-N 3.09Å; I616-K618 VanDerWaalsContact C-N 3.35Å; K618-K656 WeakPolarHBondContact O-CE 3.31Å; K618-K656 PolarHBondContact O-NZ 2.86Å; K618-V660 HydrophobicContact CB-CG1 4.04Å; K618-V660 HydrophobicContact CD-CG1 3.58Å; K618-V660 HydrophobicContact CG-CG1 4.46Å
619	E	93.6	Very high	93.7	Very high	178 Å²	178	64.8 Å²	64.8	83%	0.832	34%	0.338	S	S	*	.			trans	-82.9	157.4	171.9	-62.5	-167.8	153.1	0	0	111.7	V660	E619-V660 VanDerWaalsContact O-CG2 3.31Å; E619-V660 WeakPolarHBondContact O-CG2 3.28Å
620	S	94.4	Very high	93.9	Very high	16 Å²	16	64.5 Å²	64.5	11%	0.112	34%	0.335	C	S	.	.			trans	-113.8	131.2	177.1	175.3	0	0	0	0	110.4	Q622 S659	S620-Q622 PolarHBondContact O-N 3.05Å; S620-Q622 VanDerWaalsContact O-N 3.13Å; S620-Q622 PolarHBondContact OG-N 3.03Å; S620-Q622 VanDerWaalsContact OG-N 3.16Å; S620-S659 VanDerWaalsContact CB-OG 3.31Å; S620-S659 WeakPolarHBondContact CB-OG 3.35Å; S620-S659 PolarHBondContact OG-OG 2.94Å
621	P	89.3	Confident	93.8	Very high	119 Å²	119	63.8 Å²	63.8	77%	0.773	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-4.3	173.5	30.7	-35.4	0	0	0	113.2
622	Q	92.5	Very high	93.7	Very high	56 Å²	56	66.2 Å²	66.2	26%	0.262	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	16.8	-173.6	-67.7	168.5	-58.5	0	0	113.1	S620 S624 A625 I626 G666 Y667	S620-Q622 PolarHBondContact O-N 3.05Å; S620-Q622 VanDerWaalsContact O-N 3.13Å; S620-Q622 PolarHBondContact OG-N 3.03Å; S620-Q622 VanDerWaalsContact OG-N 3.16Å; Q622-S624 VanDerWaalsContact C-N 3.32Å; Q622-S624 PolarHBondContact O-N 2.93Å; Q622-A625 WeakPolarHBondContact O-CA 3.48Å; Q622-A625 WeakPolarHBondContact O-CB 3.41Å; Q622-A625 PolarHBondContact O-N 2.94Å; Q622-I626 HydrophobicContact CB-CD1 4.5Å; Q622-I626 PolarHBondContact O-N 3.23Å; Q622-G666 VanDerWaalsContact OE1-CA 3.27Å; Q622-Y667 PolarHBondContact NE2-O 2.82Å
623	D	91.6	Very high	93.6	Very high	58 Å²	58	66.2 Å²	66.2	31%	0.31	34%	0.341	S	S	.	.	H	α-helix	trans	-48.1	-50.1	-177.2	-169.3	-70.2	0	0	0	113.1	A625 I626 T627 Y652	D623-A625 PolarHBondContact O-N 3.27Å; D623-A625 VanDerWaalsContact O-N 3.15Å; D623-I626 WeakPolarHBondContact O-CB 3.46Å; D623-I626 PolarHBondContact O-N 3.28Å; D623-T627 WeakPolarHBondContact O-CB 3.47Å; D623-T627 PolarHBondContact O-N 3.11Å; D623-T627 PolarHBondContact O-OG1 2.6Å; D623-T627 PolarHBondContact OD1-OG1 3.05Å; D623-T627 VanDerWaalsContact OD1-OG1 3.04Å; D623-Y652 VanDerWaalsContact OD2-CE2 3.25Å; D623-Y652 WeakPolarHBondContact OD2-CE2 3.46Å; D623-Y652 VanDerWaalsContact OD2-CZ 3.3Å; D623-Y652 PolarHBondContact OD2-OH 2.98Å
624	S	91.5	Very high	93.5	Very high	94 Å²	94	61 Å²	61	66%	0.657	32%	0.322	S	S	*	.	H	α-helix	trans	-61.1	-27.6	-179.6	63.8	0	0	0	0	113.8	Q622 R628	Q622-S624 VanDerWaalsContact C-N 3.32Å; Q622-S624 PolarHBondContact O-N 2.93Å; S624-R628 WeakPolarHBondContact O-CB 3.15Å; S624-R628 PolarHBondContact O-N 2.96Å
625	A	92	Very high	93	Very high	23 Å²	23	60.2 Å²	60.2	19%	0.19	32%	0.318	C	S	.	.	H	α-helix	trans	-79.2	-39.5	174	0	0	0	0	0	111.9	Q622 D623 D629 Y667	Q622-A625 WeakPolarHBondContact O-CA 3.48Å; Q622-A625 WeakPolarHBondContact O-CB 3.41Å; Q622-A625 PolarHBondContact O-N 2.94Å; D623-A625 PolarHBondContact O-N 3.27Å; D623-A625 VanDerWaalsContact O-N 3.15Å; A625-D629 WeakPolarHBondContact O-CB 3.28Å; A625-D629 PolarHBondContact O-N 3.13Å; A625-D629 VanDerWaalsContact O-N 3.17Å; A625-Y667 HydrophobicContact CB-CD1 4.42Å
626	I	96.3	Very high	92.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63.5	-55.3	175.6	-65.9	163.1	0	0	0	110	Q622 D623 R628 D629 I630 Y652 C655 Y667	Q622-I626 HydrophobicContact CB-CD1 4.5Å; Q622-I626 PolarHBondContact O-N 3.23Å; D623-I626 WeakPolarHBondContact O-CB 3.46Å; D623-I626 PolarHBondContact O-N 3.28Å; I626-R628 VanDerWaalsContact C-N 3.3Å; I626-R628 PolarHBondContact O-N 3.24Å; I626-D629 WeakPolarHBondContact O-CA 3.25Å; I626-D629 PolarHBondContact O-N 3.48Å; I626-I630 HydrophobicContact CG2-CD1 3.66Å; I626-I630 HydrophobicContact CG2-CG1 4.44Å; I626-I630 WeakPolarHBondContact O-CG1 3.37Å; I626-I630 PolarHBondContact O-N 3.25Å; I626-Y652 HydrophobicContact CG2-CD2 3.97Å; I626-Y652 HydrophobicContact CG2-CE2 4.45Å; I626-C655 HydrophobicContact CG1-CB 4.32Å; I626-C655 HydrophobicContact CG2-CB 3.64Å; I626-Y667 HydrophobicContact CD1-CG 4.23Å; I626-Y667 HydrophobicContact CG1-CD1 3.67Å; I626-Y667 HydrophobicContact CG1-CD2 3.82Å; I626-Y667 HydrophobicContact CG1-CE1 4.24Å; I626-Y667 HydrophobicContact CG1-CE2 4.36Å; I626-Y667 HydrophobicContact CG1-CG 3.45Å; I626-Y667 VanDerWaalsContact CG1-CG 3.45Å
627	T	93.4	Very high	91.9	Very high	55 Å²	55	62.8 Å²	62.8	34%	0.337	34%	0.338	S	S	.	.	H	α-helix	trans	-59.7	-38.2	-178.7	-62.7	0	0	0	0	111.9	D623 D629 N631	D623-T627 WeakPolarHBondContact O-CB 3.47Å; D623-T627 PolarHBondContact O-N 3.11Å; D623-T627 PolarHBondContact O-OG1 2.6Å; D623-T627 PolarHBondContact OD1-OG1 3.05Å; D623-T627 VanDerWaalsContact OD1-OG1 3.04Å; T627-D629 VanDerWaalsContact C-N 3.35Å; T627-D629 PolarHBondContact O-N 3.35Å; T627-N631 PolarHBondContact O-N 3.07Å; T627-N631 PolarHBondContact O-ND2 3.33Å
628	R	93.1	Very high	91.5	Very high	141 Å²	141	62.5 Å²	62.5	53%	0.532	33%	0.332	S	S	.	.	H	α-helix	trans	-66.2	-33.8	173.2	-177.6	-179.3	66.5	-158.8	-1.2	113.1	S624 I626	S624-R628 WeakPolarHBondContact O-CB 3.15Å; S624-R628 PolarHBondContact O-N 2.96Å; I626-R628 VanDerWaalsContact C-N 3.3Å; I626-R628 PolarHBondContact O-N 3.24Å
629	D	94.1	Very high	91.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-77.4	-35.8	178.9	-92.4	7.1	0	0	0	112.8	A625 I626 T627 R632 T633 Y667 Q669 G670	A625-D629 WeakPolarHBondContact O-CB 3.28Å; A625-D629 PolarHBondContact O-N 3.13Å; A625-D629 VanDerWaalsContact O-N 3.17Å; I626-D629 WeakPolarHBondContact O-CA 3.25Å; I626-D629 PolarHBondContact O-N 3.48Å; T627-D629 VanDerWaalsContact C-N 3.35Å; T627-D629 PolarHBondContact O-N 3.35Å; D629-R632 CarbonylContact O-C 3.49Å; D629-R632 WeakPolarHBondContact O-CG 3.39Å; D629-R632 PolarHBondContact O-N 2.97Å; D629-R632 VanDerWaalsContact O-N 3.15Å; D629-R632 IonicContact OD1-CZ 3.64Å; D629-R632 IonicContact OD1-NE 2.93Å; D629-R632 PolarHBondContact OD1-NE 3.32Å; D629-R632 IonicContact OD1-NH2 3.16Å; D629-R632 PolarHBondContact OD1-NH2 2.88Å; D629-T633 WeakPolarHBondContact O-CB 3.5Å; D629-T633 PolarHBondContact O-N 3.16Å; D629-T633 PolarHBondContact O-OG1 2.94Å; D629-Y667 HydrophobicContact CB-CE1 4.25Å; D629-Y667 VanDerWaalsContact CB-OH 3.28Å; D629-Y667 WeakPolarHBondContact CB-OH 3.29Å; D629-Y667 WeakPolarHBondContact OD2-CE1 3.23Å; D629-Y667 PolarHBondContact OD2-OH 3.09Å; D629-Q669 WeakPolarHBondContact OD2-CA 3.33Å; D629-Q669 WeakPolarHBondContact OD2-CG 3.49Å; D629-G670 PolarHBondContact OD2-N 3.09Å
630	I	94.4	Very high	91.2	Very high	10 Å²	10	54.1 Å²	54.1	5%	0.051	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-44.9	177.6	-69.3	168.7	0	0	0	111.1	I626 R632 T633 Q648 L651 Y652	I626-I630 HydrophobicContact CG2-CD1 3.66Å; I626-I630 HydrophobicContact CG2-CG1 4.44Å; I626-I630 WeakPolarHBondContact O-CG1 3.37Å; I626-I630 PolarHBondContact O-N 3.25Å; I630-R632 PolarHBondContact O-N 3.41Å; I630-T633 PolarHBondContact O-N 3.2Å; I630-Q648 HydrophobicContact CG2-CB 4.02Å; I630-Q648 HydrophobicContact CG2-CG 4.1Å; I630-L651 HydrophobicContact CD1-CG 4.41Å; I630-L651 HydrophobicContact CG1-CD2 4.04Å; I630-L651 HydrophobicContact CG1-CG 4.08Å; I630-L651 HydrophobicContact CG2-CD2 4.33Å; I630-Y652 HydrophobicContact CD1-CD2 4.16Å; I630-Y652 HydrophobicContact CD1-CG 4.39Å
631	N	90.1	Very high	90.9	Very high	91 Å²	91	57.9 Å²	57.9	49%	0.487	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-12.5	175.4	-75.6	-51.3	0	0	0	114.7	T627	T627-N631 PolarHBondContact O-N 3.07Å; T627-N631 PolarHBondContact O-ND2 3.33Å
632	R	91.4	Very high	90.7	Very high	110 Å²	110	56.8 Å²	56.8	42%	0.415	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	3.9	173.5	64	-179.9	-177.7	167.1	0.6	114	D629 I630 Q669 F673	D629-R632 CarbonylContact O-C 3.49Å; D629-R632 WeakPolarHBondContact O-CG 3.39Å; D629-R632 PolarHBondContact O-N 2.97Å; D629-R632 VanDerWaalsContact O-N 3.15Å; D629-R632 IonicContact OD1-CZ 3.64Å; D629-R632 IonicContact OD1-NE 2.93Å; D629-R632 PolarHBondContact OD1-NE 3.32Å; D629-R632 IonicContact OD1-NH2 3.16Å; D629-R632 PolarHBondContact OD1-NH2 2.88Å; I630-R632 PolarHBondContact O-N 3.41Å; R632-Q669 VanDerWaalsContact NH2-CD 3.25Å; R632-F673 HydrophobicContact CG-CZ 4.36Å; R632-F673 VanDerWaalsContact O-CE1 3.31Å; R632-F673 WeakPolarHBondContact O-CE1 3.27Å; R632-F673 VanDerWaalsContact O-CZ 3.3Å; R632-F673 WeakPolarHBondContact O-CZ 3.43Å
633	T	94	Very high	90.4	Very high	1 Å²	1	60 Å²	60	1%	0.006	32%	0.317	C	S	.	.	S	Bend	trans	-91.7	113.1	179.9	-62.6	0	0	0	0	110.1	D629 I630 P635 L651 S672 F673 A676	D629-T633 WeakPolarHBondContact O-CB 3.5Å; D629-T633 PolarHBondContact O-N 3.16Å; D629-T633 PolarHBondContact O-OG1 2.94Å; I630-T633 PolarHBondContact O-N 3.2Å; T633-P635 VanDerWaalsContact C-CD 3.4Å; T633-L651 HydrophobicContact CG2-CD2 3.8Å; T633-S672 WeakPolarHBondContact OG1-CB 3.13Å; T633-S672 PolarHBondContact OG1-OG 3.16Å; T633-F673 HydrophobicContact CG2-CD1 3.94Å; T633-F673 HydrophobicContact CG2-CE1 4.39Å; T633-F673 HydrophobicContact CG2-CG 4.21Å; T633-A676 HydrophobicContact CG2-CB 3.63Å
634	F	91.3	Very high	90	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	48.3	43.4	178.7	-57.2	-18.2	0	0	0	116.1	S544 A636 H637 F640 F673 A676 V677 L680 T753 L758	S544-F634 WeakPolarHBondContact O-CA 3.25Å; S544-F634 WeakPolarHBondContact OG-CD1 3.4Å; S544-F634 WeakPolarHBondContact OG-CE1 3.47Å; F634-A636 PolarHBondContact O-N 3.32Å; F634-H637 HydrophobicContact CB-CB 4.03Å; F634-H637 WeakPolarHBondContact O-CB 3.5Å; F634-H637 PolarHBondContact O-N 3.27Å; F634-F640 HydrophobicContact CB-CB 4.34Å; F634-F640 HydrophobicContact CB-CD2 3.73Å; F634-F640 HydrophobicContact CB-CE2 4.46Å; F634-F640 HydrophobicContact CB-CG 4.36Å; F634-F640 HydrophobicContact CD2-CD2 4Å; F634-F640 AromaticContact CD2-CE2 3.87Å; F634-F640 HydrophobicContact CD2-CE2 3.87Å; F634-F640 HydrophobicContact CG-CD2 4.4Å; F634-F673 AromaticContact CD1-CD1 3.93Å; F634-F673 HydrophobicContact CD1-CD1 3.93Å; F634-F673 HydrophobicContact CD1-CE1 4.46Å; F634-F673 HydrophobicContact CE1-CB 4.5Å; F634-F673 AromaticContact CE1-CD1 3.73Å; F634-F673 HydrophobicContact CE1-CD1 3.73Å; F634-F673 HydrophobicContact CZ-CB 4.49Å; F634-F673 HydrophobicContact CZ-CD1 4.48Å; F634-A676 HydrophobicContact CD2-CB 3.58Å; F634-A676 HydrophobicContact CE2-CB 3.6Å; F634-V677 HydrophobicContact CE2-CG2 3.65Å; F634-V677 HydrophobicContact CZ-CG2 3.56Å; F634-L680 HydrophobicContact CD2-CD1 4.48Å; F634-T753 WeakPolarHBondContact CE1-O 3.28Å; F634-L758 HydrophobicContact CD1-CD2 4.48Å; F634-L758 HydrophobicContact CD2-CD2 4.3Å; F634-L758 HydrophobicContact CE1-CD2 3.99Å; F634-L758 HydrophobicContact CE2-CD2 3.8Å; F634-L758 HydrophobicContact CZ-CD2 3.63Å
635	P	87	Confident	89.9	Confident	56 Å²	56	57 Å²	57	36%	0.364	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-11.8	-175.3	31.3	-38.2	0	0	0	113.9	T633	T633-P635 VanDerWaalsContact C-CD 3.4Å
636	A	80.6	Confident	89.9	Confident	54 Å²	54	62 Å²	62	45%	0.446	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.5	173.7	0	0	0	0	0	113.6	L543 F634	L543-A636 HydrophobicContact CB-CB 3.94Å; L543-A636 HydrophobicContact CD1-CB 4.22Å; F634-A636 PolarHBondContact O-N 3.32Å
637	H	88.7	Confident	89.7	Confident	49 Å²	49	62.1 Å²	62.1	23%	0.227	34%	0.339	C	S	.	.	S	Bend	trans	-101.3	134.8	-176.6	-175.1	-91.5	0	0	0	111.4	F634 Y639 F640 K641 L680	F634-H637 HydrophobicContact CB-CB 4.03Å; F634-H637 WeakPolarHBondContact O-CB 3.5Å; F634-H637 PolarHBondContact O-N 3.27Å; H637-Y639 PolarHBondContact ND1-N 3.12Å; H637-Y639 PolarHBondContact O-N 3.48Å; H637-F640 HydrophobicContact CB-CD2 4.35Å; H637-F640 AromaticContact ND1-CD2 3.79Å; H637-F640 PolarHBondContact O-N 3.31Å; H637-K641 PolarHBondContact O-N 2.89Å; H637-L680 WeakPolarHBondContact CE1-CD2 3.36Å
638	D	87.4	Confident	89.7	Confident	105 Å²	105	60.5 Å²	60.5	56%	0.561	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-31	-171.8	-82.9	-45.9	0	0	0	115	K641	D638-K641 WeakPolarHBondContact O-CE 3.17Å; D638-K641 WeakPolarHBondContact OD1-CE 3.5Å; D638-K641 IonicContact OD1-NZ 3.49Å; D638-K641 PolarHBondContact OD1-NZ 3.41Å
639	Y	89.9	Confident	89.9	Confident	96 Å²	96	57.1 Å²	57.1	38%	0.376	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.2	179.3	-168.6	-117.1	0	0	0	114.5	H637 G647 L679 L680	H637-Y639 PolarHBondContact ND1-N 3.12Å; H637-Y639 PolarHBondContact O-N 3.48Å; Y639-G647 VanDerWaalsContact CZ-CA 3.48Å; Y639-G647 WeakPolarHBondContact O-CA 3.27Å; Y639-L679 HydrophobicContact CE1-CD2 4.13Å; Y639-L679 HydrophobicContact CE1-CG 4.06Å; Y639-L680 HydrophobicContact CD1-CD2 4Å; Y639-L680 HydrophobicContact CG-CD2 4.41Å
640	F	92.6	Very high	90	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.009	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-7.8	-174.4	-61	-64.6	0	0	0	114.4	F634 H637 D642 G647 Q648 L651 A676 L679 L680	F634-F640 HydrophobicContact CB-CB 4.34Å; F634-F640 HydrophobicContact CB-CD2 3.73Å; F634-F640 HydrophobicContact CB-CE2 4.46Å; F634-F640 HydrophobicContact CB-CG 4.36Å; F634-F640 HydrophobicContact CD2-CD2 4Å; F634-F640 AromaticContact CD2-CE2 3.87Å; F634-F640 HydrophobicContact CD2-CE2 3.87Å; F634-F640 HydrophobicContact CG-CD2 4.4Å; H637-F640 HydrophobicContact CB-CD2 4.35Å; H637-F640 AromaticContact ND1-CD2 3.79Å; H637-F640 PolarHBondContact O-N 3.31Å; F640-D642 VanDerWaalsContact C-N 3.33Å; F640-D642 PolarHBondContact O-N 2.92Å; F640-G647 WeakPolarHBondContact CE1-O 3.43Å; F640-Q648 PolarHBondContact O-NE2 2.99Å; F640-L651 HydrophobicContact CD1-CD2 4.35Å; F640-L651 HydrophobicContact CE1-CB 4.31Å; F640-L651 HydrophobicContact CE1-CD2 4.2Å; F640-A676 HydrophobicContact CE1-CB 4.3Å; F640-A676 HydrophobicContact CE2-CB 3.87Å; F640-A676 HydrophobicContact CZ-CB 3.67Å; F640-L679 HydrophobicContact CE1-CD2 3.97Å; F640-L679 HydrophobicContact CZ-CD2 4.2Å; F640-L680 HydrophobicContact CD2-CD2 4.43Å; F640-L680 HydrophobicContact CE2-CD1 4.1Å; F640-L680 HydrophobicContact CE2-CD2 3.61Å; F640-L680 HydrophobicContact CE2-CG 3.75Å; F640-L680 HydrophobicContact CZ-CD2 4.16Å; F640-L680 HydrophobicContact CZ-CG 4.25Å
641	K	87.1	Confident	90.2	Very high	96 Å²	96	57.3 Å²	57.3	42%	0.417	32%	0.323	S	S	.	.	S	Bend	trans	-64.3	-32.4	-179.6	68.2	-177.6	175.5	-171.5	0	114	H637 D638	H637-K641 PolarHBondContact O-N 2.89Å; D638-K641 WeakPolarHBondContact O-CE 3.17Å; D638-K641 WeakPolarHBondContact OD1-CE 3.5Å; D638-K641 IonicContact OD1-NZ 3.49Å; D638-K641 PolarHBondContact OD1-NZ 3.41Å
642	D	86.6	Confident	90.5	Very high	96 Å²	96	55.8 Å²	55.8	51%	0.513	31%	0.31	S	S	.	.	S	Bend	trans	-88.6	115.4	-169.8	-64.7	-49.6	0	0	0	110.5	F640 G644 G645	F640-D642 VanDerWaalsContact C-N 3.33Å; F640-D642 PolarHBondContact O-N 2.92Å; D642-G644 PolarHBondContact O-N 3.38Å; D642-G645 PolarHBondContact O-N 2.96Å
643	T	86.4	Confident	90.8	Very high	122 Å²	122	53 Å²	53	75%	0.748	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	116.6	-176.6	-51.6	0	0	0	0	111.2	G645	T643-G645 VanDerWaalsContact C-N 3.33Å
644	G	81.9	Confident	91	Very high	64 Å²	64	53 Å²	53	66%	0.66	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	12.4	-175.8	0	0	0	0	0	115.2	D642 Q648	D642-G644 PolarHBondContact O-N 3.38Å; G644-Q648 VanDerWaalsContact N-OE1 3.08Å
645	G	89.9	Confident	91.3	Very high	26 Å²	26	53 Å²	53	27%	0.268	30%	0.301	S	S	.	.	S	Bend	trans	-75	162.2	167.6	0	0	0	0	0	112.8	D642 T643 G647 Q648 D649	D642-G645 PolarHBondContact O-N 2.96Å; T643-G645 VanDerWaalsContact C-N 3.33Å; G645-G647 PolarHBondContact O-N 3.07Å; G645-Q648 PolarHBondContact O-N 2.87Å; G645-D649 PolarHBondContact O-N 3.11Å; G645-D649 VanDerWaalsContact O-N 3.15Å
646	D	91.4	Very high	91.8	Very high	129 Å²	129	51.7 Å²	51.7	69%	0.69	29%	0.29	S	S	*	.	H	α-helix	trans	-46.6	-39	-172.2	-58.9	-10	0	0	0	114.8	D649 S650	D646-D649 PolarHBondContact O-N 3.05Å; D646-S650 WeakPolarHBondContact O-CB 3.37Å; D646-S650 PolarHBondContact O-N 2.97Å; D646-S650 PolarHBondContact O-OG 2.98Å
647	G	92.3	Very high	92.7	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-69.4	-34.8	179	0	0	0	0	0	113.7	Y639 F640 G645 L651	Y639-G647 VanDerWaalsContact CZ-CA 3.48Å; Y639-G647 WeakPolarHBondContact O-CA 3.27Å; F640-G647 WeakPolarHBondContact CE1-O 3.43Å; G645-G647 PolarHBondContact O-N 3.07Å; G647-L651 WeakPolarHBondContact O-CB 3.32Å; G647-L651 PolarHBondContact O-N 2.65Å; G647-L651 VanDerWaalsContact O-N 3.12Å
648	Q	94.3	Very high	93.1	Very high	21 Å²	21	46.8 Å²	46.8	10%	0.098	26%	0.258	C	S	.	.	H	α-helix	trans	-72.8	-38.8	172.8	-67.6	-164.7	-1.4	0	0	111.8	I630 F640 G644 G645 L651 Y652	I630-Q648 HydrophobicContact CG2-CB 4.02Å; I630-Q648 HydrophobicContact CG2-CG 4.1Å; F640-Q648 PolarHBondContact O-NE2 2.99Å; G644-Q648 VanDerWaalsContact N-OE1 3.08Å; G645-Q648 PolarHBondContact O-N 2.87Å; Q648-L651 PolarHBondContact O-N 3.36Å; Q648-Y652 WeakPolarHBondContact O-CB 3.36Å; Q648-Y652 PolarHBondContact O-N 3.21Å
649	D	95.9	Very high	93.6	Very high	70 Å²	70	42.1 Å²	42.1	37%	0.374	23%	0.233	S	C	.	.	H	α-helix	trans	-65.2	-47.7	176.8	174.3	50	0	0	0	111.9	G645 D646 L651 Y652 K653	G645-D649 PolarHBondContact O-N 3.11Å; G645-D649 VanDerWaalsContact O-N 3.15Å; D646-D649 PolarHBondContact O-N 3.05Å; D649-L651 VanDerWaalsContact C-N 3.31Å; D649-L651 PolarHBondContact O-N 3.03Å; D649-Y652 WeakPolarHBondContact O-CB 2.94Å; D649-Y652 PolarHBondContact O-N 3.3Å; D649-K653 VanDerWaalsContact CG-CE 3.46Å; D649-K653 WeakPolarHBondContact O-CG 3.43Å; D649-K653 PolarHBondContact O-N 2.9Å; D649-K653 VanDerWaalsContact OD1-CE 3.32Å; D649-K653 WeakPolarHBondContact OD1-CE 3.3Å; D649-K653 IonicContact OD1-NZ 3.14Å; D649-K653 WeakPolarHBondContact OD2-CE 3.49Å; D649-K653 IonicContact OD2-NZ 3.66Å; D649-K653 PolarHBondContact OD2-NZ 2.91Å
650	S	97.4	Very high	93.9	Very high	14 Å²	14	38.5 Å²	38.5	10%	0.098	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-41.9	174.3	-55.6	0	0	0	0	111.8	D646 K653 I654 E684	D646-S650 WeakPolarHBondContact O-CB 3.37Å; D646-S650 PolarHBondContact O-N 2.97Å; D646-S650 PolarHBondContact O-OG 2.98Å; S650-K653 PolarHBondContact O-N 3Å; S650-I654 VanDerWaalsContact O-CG1 3.28Å; S650-I654 WeakPolarHBondContact O-CG1 3.47Å; S650-I654 PolarHBondContact O-N 3.13Å; S650-E684 WeakPolarHBondContact CA-OE2 3.45Å; S650-E684 WeakPolarHBondContact CB-OE2 3.45Å; S650-E684 PolarHBondContact OG-OE2 3.44Å
651	L	97.4	Very high	94.1	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-41.4	176.1	-177.6	60.5	0	0	0	112	I630 T633 F640 G647 Q648 D649 I654 C655 A675 A676 L679	I630-L651 HydrophobicContact CD1-CG 4.41Å; I630-L651 HydrophobicContact CG1-CD2 4.04Å; I630-L651 HydrophobicContact CG1-CG 4.08Å; I630-L651 HydrophobicContact CG2-CD2 4.33Å; T633-L651 HydrophobicContact CG2-CD2 3.8Å; F640-L651 HydrophobicContact CD1-CD2 4.35Å; F640-L651 HydrophobicContact CE1-CB 4.31Å; F640-L651 HydrophobicContact CE1-CD2 4.2Å; G647-L651 WeakPolarHBondContact O-CB 3.32Å; G647-L651 PolarHBondContact O-N 2.65Å; G647-L651 VanDerWaalsContact O-N 3.12Å; Q648-L651 PolarHBondContact O-N 3.36Å; D649-L651 VanDerWaalsContact C-N 3.31Å; D649-L651 PolarHBondContact O-N 3.03Å; L651-I654 PolarHBondContact O-N 3.1Å; L651-C655 PolarHBondContact O-N 2.91Å; L651-C655 PolarHBondContact O-SG 2.83Å; L651-A675 HydrophobicContact CD1-CB 3.62Å; L651-A676 HydrophobicContact CD1-CB 4.02Å; L651-A676 HydrophobicContact CD2-CB 4.1Å; L651-L679 HydrophobicContact CB-CD2 4.19Å
652	Y	97.3	Very high	94.6	Very high	59 Å²	59	37.3 Å²	37.3	23%	0.231	21%	0.214	C	C	.	.	H	α-helix	trans	-58.3	-51.2	173.6	171.1	-97.1	0	0	0	111.3	D623 I626 I630 Q648 D649 I654 C655 K656	D623-Y652 VanDerWaalsContact OD2-CE2 3.25Å; D623-Y652 WeakPolarHBondContact OD2-CE2 3.46Å; D623-Y652 VanDerWaalsContact OD2-CZ 3.3Å; D623-Y652 PolarHBondContact OD2-OH 2.98Å; I626-Y652 HydrophobicContact CG2-CD2 3.97Å; I626-Y652 HydrophobicContact CG2-CE2 4.45Å; I630-Y652 HydrophobicContact CD1-CD2 4.16Å; I630-Y652 HydrophobicContact CD1-CG 4.39Å; Q648-Y652 WeakPolarHBondContact O-CB 3.36Å; Q648-Y652 PolarHBondContact O-N 3.21Å; D649-Y652 WeakPolarHBondContact O-CB 2.94Å; D649-Y652 PolarHBondContact O-N 3.3Å; Y652-I654 VanDerWaalsContact C-N 3.35Å; Y652-I654 PolarHBondContact O-N 3.23Å; Y652-C655 PolarHBondContact O-N 3.09Å; Y652-K656 HydrophobicContact CE1-CD 3.84Å; Y652-K656 WeakPolarHBondContact O-CB 3.35Å; Y652-K656 PolarHBondContact O-N 2.96Å
653	K	97.9	Very high	94.8	Very high	51 Å²	51	40.8 Å²	40.8	22%	0.222	23%	0.228	C	C	.	.	H	α-helix	trans	-59.1	-42.2	177.6	-65.8	165.8	-168.2	154.3	0	112.6	Y612 I616 D649 S650 A657 E684	Y612-K653 VanDerWaalsContact OH-C 3.32Å; Y612-K653 WeakPolarHBondContact OH-CB 3.49Å; I616-K653 HydrophobicContact CG2-CB 3.95Å; D649-K653 VanDerWaalsContact CG-CE 3.46Å; D649-K653 WeakPolarHBondContact O-CG 3.43Å; D649-K653 PolarHBondContact O-N 2.9Å; D649-K653 VanDerWaalsContact OD1-CE 3.32Å; D649-K653 WeakPolarHBondContact OD1-CE 3.3Å; D649-K653 IonicContact OD1-NZ 3.14Å; D649-K653 WeakPolarHBondContact OD2-CE 3.49Å; D649-K653 IonicContact OD2-NZ 3.66Å; D649-K653 PolarHBondContact OD2-NZ 2.91Å; S650-K653 PolarHBondContact O-N 3Å; K653-A657 VanDerWaalsContact O-CB 3.24Å; K653-A657 WeakPolarHBondContact O-CB 3.27Å; K653-A657 PolarHBondContact O-N 3.42Å; K653-E684 WeakPolarHBondContact CD-OE1 3.31Å; K653-E684 WeakPolarHBondContact CD-OE2 3.44Å; K653-E684 IonicContact NZ-OE2 2.7Å; K653-E684 PolarHBondContact NZ-OE2 3.19Å
654	I	98.2	Very high	95.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.8	-49.9	176.9	-66.9	164.1	0	0	0	111.2	Y612 S650 L651 Y652 Y658 A675 L679 E684 A687 F688 L691	Y612-I654 HydrophobicContact CE2-CG1 4.46Å; Y612-I654 PolarHBondContact OH-N 2.86Å; S650-I654 VanDerWaalsContact O-CG1 3.28Å; S650-I654 WeakPolarHBondContact O-CG1 3.47Å; S650-I654 PolarHBondContact O-N 3.13Å; L651-I654 PolarHBondContact O-N 3.1Å; Y652-I654 VanDerWaalsContact C-N 3.35Å; Y652-I654 PolarHBondContact O-N 3.23Å; I654-Y658 PolarHBondContact O-N 2.76Å; I654-A675 HydrophobicContact CG2-CB 3.9Å; I654-L679 HydrophobicContact CD1-CB 4.3Å; I654-L679 HydrophobicContact CD1-CD1 4.14Å; I654-L679 HydrophobicContact CD1-CD2 4.2Å; I654-L679 HydrophobicContact CD1-CG 4.45Å; I654-E684 HydrophobicContact CD1-CG 4.26Å; I654-E684 HydrophobicContact CG1-CG 4.06Å; I654-A687 HydrophobicContact CD1-CB 3.84Å; I654-F688 HydrophobicContact CG1-CB 4.44Å; I654-F688 HydrophobicContact CG2-CB 4.37Å; I654-L691 HydrophobicContact CG2-CD2 3.69Å
655	C	98.1	Very high	95.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.5	-39.2	179.7	-68.7	0	0	0	0	112.4	I626 L651 Y652 Y658 S659 Y667	I626-C655 HydrophobicContact CG1-CB 4.32Å; I626-C655 HydrophobicContact CG2-CB 3.64Å; L651-C655 PolarHBondContact O-N 2.91Å; L651-C655 PolarHBondContact O-SG 2.83Å; Y652-C655 PolarHBondContact O-N 3.09Å; C655-Y658 PolarHBondContact O-N 2.74Å; C655-S659 PolarHBondContact O-N 2.8Å; C655-Y667 HydrophobicContact CB-CD2 3.89Å; C655-Y667 HydrophobicContact CB-CE2 3.84Å
656	K	97.6	Very high	95.9	Very high	30 Å²	30	38.5 Å²	38.5	13%	0.13	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-52.3	174.4	-169.8	-163.6	-170.9	-158.3	0	111.1	I616 K618 Y652 Y658 S659 V660	I616-K656 PolarHBondContact O-NZ 3.16Å; K618-K656 WeakPolarHBondContact O-CE 3.31Å; K618-K656 PolarHBondContact O-NZ 2.86Å; Y652-K656 HydrophobicContact CE1-CD 3.84Å; Y652-K656 WeakPolarHBondContact O-CB 3.35Å; Y652-K656 PolarHBondContact O-N 2.96Å; K656-Y658 VanDerWaalsContact C-N 3.33Å; K656-Y658 PolarHBondContact O-N 3.19Å; K656-S659 WeakPolarHBondContact O-CB 3.38Å; K656-S659 PolarHBondContact O-N 2.81Å; K656-S659 VanDerWaalsContact O-N 3.15Å; K656-S659 PolarHBondContact O-OG 2.86Å; K656-V660 PolarHBondContact O-N 3.06Å
657	A	97.9	Very high	96.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60	-41.8	178.1	0	0	0	0	0	112.2	Y612 L615 I616 K653 S659 V660 Y661 F688	Y612-A657 HydrophobicContact CD2-CB 3.56Å; Y612-A657 HydrophobicContact CE2-CB 3.4Å; L615-A657 HydrophobicContact CB-CB 3.77Å; L615-A657 HydrophobicContact CD1-CB 4.42Å; I616-A657 HydrophobicContact CG2-CB 4.05Å; K653-A657 VanDerWaalsContact O-CB 3.24Å; K653-A657 WeakPolarHBondContact O-CB 3.27Å; K653-A657 PolarHBondContact O-N 3.42Å; A657-S659 VanDerWaalsContact C-N 3.34Å; A657-S659 PolarHBondContact O-N 2.89Å; A657-V660 PolarHBondContact O-N 3.35Å; A657-Y661 WeakPolarHBondContact O-CB 3.29Å; A657-Y661 PolarHBondContact O-N 3.23Å; A657-F688 HydrophobicContact CB-CD2 4.1Å; A657-F688 HydrophobicContact CB-CE2 3.86Å
658	Y	98.1	Very high	96.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.6	-44.3	175.4	-171.2	-82.2	0	0	0	111.8	I654 C655 K656 V660 Y661 D662 Q671 L691 V692 M695 F696	I654-Y658 PolarHBondContact O-N 2.76Å; C655-Y658 PolarHBondContact O-N 2.74Å; K656-Y658 VanDerWaalsContact C-N 3.33Å; K656-Y658 PolarHBondContact O-N 3.19Å; Y658-V660 PolarHBondContact O-N 3.3Å; Y658-Y661 PolarHBondContact O-N 2.93Å; Y658-Y661 VanDerWaalsContact O-N 3.13Å; Y658-D662 HydrophobicContact CD1-CB 4.25Å; Y658-D662 HydrophobicContact CE1-CB 3.49Å; Y658-D662 VanDerWaalsContact CE1-CB 3.49Å; Y658-D662 HydrophobicContact CE2-CB 4.47Å; Y658-D662 PolarHBondContact O-N 2.87Å; Y658-D662 PolarHBondContact OH-OD2 3.07Å; Y658-Q671 VanDerWaalsContact CE1-NE2 3.27Å; Y658-L691 HydrophobicContact CD2-CD2 4.1Å; Y658-L691 HydrophobicContact CD2-CG 4.2Å; Y658-L691 HydrophobicContact CG-CD2 4.4Å; Y658-V692 HydrophobicContact CD2-CG2 4.27Å; Y658-V692 HydrophobicContact CE2-CG2 4.42Å; Y658-M695 HydrophobicContact CE1-CE 4.08Å; Y658-M695 HydrophobicContact CE2-CB 3.78Å; Y658-M695 HydrophobicContact CE2-CG 3.61Å; Y658-M695 VanDerWaalsContact OH-CB 3.22Å; Y658-M695 WeakPolarHBondContact OH-CB 3.32Å; Y658-M695 WeakPolarHBondContact OH-CE 3.41Å; Y658-F696 HydrophobicContact CE2-CE2 4.32Å; Y658-F696 WeakPolarHBondContact OH-CE2 3.38Å
659	S	97.4	Very high	95.8	Very high	6 Å²	6	37.8 Å²	37.8	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-60.9	-26	-179.7	76.8	0	0	0	0	114.3	S620 C655 K656 A657	S620-S659 VanDerWaalsContact CB-OG 3.31Å; S620-S659 WeakPolarHBondContact CB-OG 3.35Å; S620-S659 PolarHBondContact OG-OG 2.94Å; C655-S659 PolarHBondContact O-N 2.8Å; K656-S659 WeakPolarHBondContact O-CB 3.38Å; K656-S659 PolarHBondContact O-N 2.81Å; K656-S659 VanDerWaalsContact O-N 3.15Å; K656-S659 PolarHBondContact O-OG 2.86Å; A657-S659 VanDerWaalsContact C-N 3.34Å; A657-S659 PolarHBondContact O-N 2.89Å
660	V	96.9	Very high	95.4	Very high	20 Å²	20	34.7 Å²	34.7	12%	0.121	16%	0.164	C	C	.	.	H	α-helix	trans	-94.5	-23.4	178.9	-176.6	0	0	0	0	111.9	L615 K618 E619 K656 A657 Y658 Q663	L615-V660 HydrophobicContact CD2-CB 4Å; L615-V660 HydrophobicContact CD2-CG1 3.86Å; K618-V660 HydrophobicContact CB-CG1 4.04Å; K618-V660 HydrophobicContact CD-CG1 3.58Å; K618-V660 HydrophobicContact CG-CG1 4.46Å; E619-V660 VanDerWaalsContact O-CG2 3.31Å; E619-V660 WeakPolarHBondContact O-CG2 3.28Å; K656-V660 PolarHBondContact O-N 3.06Å; A657-V660 PolarHBondContact O-N 3.35Å; Y658-V660 PolarHBondContact O-N 3.3Å; V660-Q663 WeakPolarHBondContact O-CG 3.42Å; V660-Q663 PolarHBondContact O-NE2 2.9Å
661	Y	96.7	Very high	95.2	Very high	69 Å²	69	34.3 Å²	34.3	27%	0.271	16%	0.161	S	C	.	.	H	α-helix	trans	-75	-53.9	174.2	-176.8	-102.9	0	0	0	111.7	L608 E611 L615 A657 Y658 Q663 F688 V692 F696	L608-Y661 HydrophobicContact CD2-CE2 4.13Å; E611-Y661 WeakPolarHBondContact OE1-CE2 3.28Å; L615-Y661 HydrophobicContact CD1-CD2 3.94Å; L615-Y661 HydrophobicContact CD1-CG 4.32Å; A657-Y661 WeakPolarHBondContact O-CB 3.29Å; A657-Y661 PolarHBondContact O-N 3.23Å; Y658-Y661 PolarHBondContact O-N 2.93Å; Y658-Y661 VanDerWaalsContact O-N 3.13Å; Y661-Q663 PolarHBondContact O-N 3.35Å; Y661-F688 HydrophobicContact CG-CZ 4.32Å; Y661-V692 HydrophobicContact CD1-CG1 4.45Å; Y661-V692 HydrophobicContact CD1-CG2 4.05Å; Y661-V692 HydrophobicContact CE1-CB 4.46Å; Y661-V692 HydrophobicContact CE1-CG1 3.6Å; Y661-V692 HydrophobicContact CE1-CG2 3.97Å; Y661-F696 HydrophobicContact CD1-CE2 4.08Å; Y661-F696 HydrophobicContact CD1-CZ 4.38Å; Y661-F696 HydrophobicContact CE1-CD2 4.41Å; Y661-F696 AromaticContact CE1-CE2 3.79Å; Y661-F696 HydrophobicContact CE1-CE2 3.79Å; Y661-F696 HydrophobicContact CE1-CZ 4.06Å
662	D	96.1	Very high	95.1	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	16%	0.161	C	C	.	.			trans	-90.8	75.3	-178.4	-167.9	-14.3	0	0	0	111.5	Y658 E664 I665 G666 F696 R701	Y658-D662 HydrophobicContact CD1-CB 4.25Å; Y658-D662 HydrophobicContact CE1-CB 3.49Å; Y658-D662 VanDerWaalsContact CE1-CB 3.49Å; Y658-D662 HydrophobicContact CE2-CB 4.47Å; Y658-D662 PolarHBondContact O-N 2.87Å; Y658-D662 PolarHBondContact OH-OD2 3.07Å; D662-E664 PolarHBondContact O-N 3.04Å; D662-E664 PolarHBondContact OD1-N 3.26Å; D662-I665 PolarHBondContact O-N 3.01Å; D662-I665 WeakPolarHBondContact OD2-CD1 3.42Å; D662-I665 WeakPolarHBondContact OD2-CG1 3.4Å; D662-G666 VanDerWaalsContact O-CA 3.3Å; D662-G666 WeakPolarHBondContact O-CA 3.49Å; D662-G666 PolarHBondContact O-N 3.41Å; D662-F696 HydrophobicContact CB-CE2 4.18Å; D662-F696 HydrophobicContact CB-CZ 4.08Å; D662-R701 VanDerWaalsContact CG-NH2 3.3Å; D662-R701 IonicContact OD1-CZ 2.69Å; D662-R701 IonicContact OD1-NE 3.49Å; D662-R701 IonicContact OD1-NH2 3.53Å; D662-R701 PolarHBondContact OD1-NH2 3.21Å; D662-R701 IonicContact OD2-CZ 2.75Å; D662-R701 IonicContact OD2-NE 3.57Å; D662-R701 PolarHBondContact OD2-NE 3.15Å; D662-R701 IonicContact OD2-NH2 3.89Å; D662-R701 PolarHBondContact OD2-NH2 3.2Å
663	Q	92.6	Very high	95.1	Very high	170 Å²	170	32.1 Å²	32.1	79%	0.794	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-8.2	-176.7	-60.8	179.4	5.1	0	0	114.6	V660 Y661	V660-Q663 WeakPolarHBondContact O-CG 3.42Å; V660-Q663 PolarHBondContact O-NE2 2.9Å; Y661-Q663 PolarHBondContact O-N 3.35Å
664	E	92.7	Very high	95.1	Very high	122 Å²	122	29.8 Å²	29.8	57%	0.57	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-32.5	-179.9	-166.7	-172.7	171.8	0	0	112.4	D662 R701 K705	D662-E664 PolarHBondContact O-N 3.04Å; D662-E664 PolarHBondContact OD1-N 3.26Å; E664-R701 IonicContact OE2-CZ 3.44Å; E664-R701 IonicContact OE2-NH1 2.7Å; E664-R701 PolarHBondContact OE2-NH1 3.36Å; E664-R701 IonicContact OE2-NH2 2.66Å; E664-R701 PolarHBondContact OE2-NH2 2.9Å; E664-K705 WeakPolarHBondContact OE1-CE 3.37Å; E664-K705 IonicContact OE1-NZ 3.59Å; E664-K705 PolarHBondContact OE1-NZ 3.38Å; E664-K705 WeakPolarHBondContact OE2-CE 3.42Å; E664-K705 IonicContact OE2-NZ 3.27Å; E664-K705 PolarHBondContact OE2-NZ 3.41Å
665	I	93.3	Very high	95.1	Very high	35 Å²	35	29.8 Å²	29.8	18%	0.179	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-18.8	-177.4	63.8	176.5	0	0	0	114	D662 M695 R701 F704 K705	D662-I665 PolarHBondContact O-N 3.01Å; D662-I665 WeakPolarHBondContact OD2-CD1 3.42Å; D662-I665 WeakPolarHBondContact OD2-CG1 3.4Å; I665-M695 HydrophobicContact CD1-CE 4.18Å; I665-R701 HydrophobicContact CD1-CB 3.73Å; I665-F704 HydrophobicContact CD1-CB 4.36Å; I665-K705 HydrophobicContact CG2-CG 4.21Å
666	G	94.4	Very high	95	Very high	6 Å²	6	29.8 Å²	29.8	6%	0.062	14%	0.143	C	C	.	.			trans	63.2	-152.8	-177.4	0	0	0	0	0	113.9	Q622 D662 C668	Q622-G666 VanDerWaalsContact OE1-CA 3.27Å; D662-G666 VanDerWaalsContact O-CA 3.3Å; D662-G666 WeakPolarHBondContact O-CA 3.49Å; D662-G666 PolarHBondContact O-N 3.41Å; G666-C668 PolarHBondContact O-N 3.18Å
667	Y	96.3	Very high	95	Very high	10 Å²	10	28.4 Å²	28.4	4%	0.039	14%	0.136	C	C	.	.	S	Bend	trans	-66.1	125.4	170.6	178	-103.8	0	0	0	111.2	Q622 A625 I626 D629 C655 Q671 S672	Q622-Y667 PolarHBondContact NE2-O 2.82Å; A625-Y667 HydrophobicContact CB-CD1 4.42Å; I626-Y667 HydrophobicContact CD1-CG 4.23Å; I626-Y667 HydrophobicContact CG1-CD1 3.67Å; I626-Y667 HydrophobicContact CG1-CD2 3.82Å; I626-Y667 HydrophobicContact CG1-CE1 4.24Å; I626-Y667 HydrophobicContact CG1-CE2 4.36Å; I626-Y667 HydrophobicContact CG1-CG 3.45Å; I626-Y667 VanDerWaalsContact CG1-CG 3.45Å; D629-Y667 HydrophobicContact CB-CE1 4.25Å; D629-Y667 VanDerWaalsContact CB-OH 3.28Å; D629-Y667 WeakPolarHBondContact CB-OH 3.29Å; D629-Y667 WeakPolarHBondContact OD2-CE1 3.23Å; D629-Y667 PolarHBondContact OD2-OH 3.09Å; C655-Y667 HydrophobicContact CB-CD2 3.89Å; C655-Y667 HydrophobicContact CB-CE2 3.84Å; Y667-Q671 HydrophobicContact CD2-CB 4.39Å; Y667-Q671 HydrophobicContact CE2-CB 3.84Å; Y667-S672 WeakPolarHBondContact OH-CB 3.45Å; Y667-S672 PolarHBondContact OH-N 3Å; Y667-S672 PolarHBondContact OH-OG 3.05Å
668	C	92.3	Very high	95	Very high	9 Å²	9	28.4 Å²	28.4	6%	0.061	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-98.3	133.1	178.2	-74.5	0	0	0	0	111.4	G666 G670 Q671 F704	G666-C668 PolarHBondContact O-N 3.18Å; C668-G670 PolarHBondContact O-N 3.44Å; C668-Q671 HydrophobicContact CB-CB 4.3Å; C668-Q671 VanDerWaalsContact N-OE1 3.13Å; C668-Q671 WeakPolarHBondContact O-CB 3.38Å; C668-Q671 PolarHBondContact O-N 2.91Å; C668-F704 HydrophobicContact CB-CD1 3.7Å; C668-F704 HydrophobicContact CB-CD2 4.39Å; C668-F704 HydrophobicContact CB-CE1 3.56Å; C668-F704 HydrophobicContact CB-CE2 4.26Å; C668-F704 HydrophobicContact CB-CG 4.13Å; C668-F704 HydrophobicContact CB-CZ 3.84Å; C668-F704 VanDerWaalsContact SG-CG 3.57Å
669	Q	87.4	Confident	95	Very high	118 Å²	118	29 Å²	29	55%	0.551	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	125.1	-176	-167.7	-173.2	-88.4	0	0	111.5	D629 R632	D629-Q669 WeakPolarHBondContact OD2-CA 3.33Å; D629-Q669 WeakPolarHBondContact OD2-CG 3.49Å; R632-Q669 VanDerWaalsContact NH2-CD 3.25Å
670	G	86.6	Confident	94.9	Very high	5 Å²	5	30.9 Å²	30.9	5%	0.052	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	-1.2	-174.8	0	0	0	0	0	115.3	D629 C668 S672 F673	D629-G670 PolarHBondContact OD2-N 3.09Å; C668-G670 PolarHBondContact O-N 3.44Å; G670-S672 PolarHBondContact O-N 2.82Å; G670-F673 PolarHBondContact O-N 3.46Å
671	Q	93.9	Very high	94.8	Very high	5 Å²	5	31.3 Å²	31.3	2%	0.023	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-27.9	174.1	-174.9	-177.9	10.1	0	0	112.1	Y658 Y667 C668 F673 L674 A675 L691	Y658-Q671 VanDerWaalsContact CE1-NE2 3.27Å; Y667-Q671 HydrophobicContact CD2-CB 4.39Å; Y667-Q671 HydrophobicContact CE2-CB 3.84Å; C668-Q671 HydrophobicContact CB-CB 4.3Å; C668-Q671 VanDerWaalsContact N-OE1 3.13Å; C668-Q671 WeakPolarHBondContact O-CB 3.38Å; C668-Q671 PolarHBondContact O-N 2.91Å; Q671-F673 VanDerWaalsContact C-N 3.27Å; Q671-F673 PolarHBondContact O-N 3.44Å; Q671-L674 PolarHBondContact O-N 2.68Å; Q671-L674 VanDerWaalsContact O-N 3.1Å; Q671-A675 PolarHBondContact O-N 3.24Å; Q671-L691 HydrophobicContact CG-CD1 4.19Å
672	S	96.3	Very high	94.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-53.8	-38.3	173.4	59	0	0	0	0	113.4	T633 Y667 G670 L674 A675 A676	T633-S672 WeakPolarHBondContact OG1-CB 3.13Å; T633-S672 PolarHBondContact OG1-OG 3.16Å; Y667-S672 WeakPolarHBondContact OH-CB 3.45Å; Y667-S672 PolarHBondContact OH-N 3Å; Y667-S672 PolarHBondContact OH-OG 3.05Å; G670-S672 PolarHBondContact O-N 2.82Å; S672-L674 VanDerWaalsContact C-N 3.32Å; S672-L674 PolarHBondContact O-N 3.09Å; S672-A675 PolarHBondContact O-N 3.16Å; S672-A676 VanDerWaalsContact O-CB 3.27Å; S672-A676 WeakPolarHBondContact O-CB 3.49Å; S672-A676 PolarHBondContact O-N 3Å
673	F	96.5	Very high	94.6	Very high	15 Å²	15	32.3 Å²	32.3	7%	0.066	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-36.8	178.2	-64.2	-88.8	0	0	0	111.9	S544 R632 T633 F634 G670 Q671 V677 T753 A754	S544-F673 WeakPolarHBondContact OG-CD1 3.47Å; S544-F673 VanDerWaalsContact OG-CE1 3.32Å; S544-F673 WeakPolarHBondContact OG-CE1 3.15Å; R632-F673 HydrophobicContact CG-CZ 4.36Å; R632-F673 VanDerWaalsContact O-CE1 3.31Å; R632-F673 WeakPolarHBondContact O-CE1 3.27Å; R632-F673 VanDerWaalsContact O-CZ 3.3Å; R632-F673 WeakPolarHBondContact O-CZ 3.43Å; T633-F673 HydrophobicContact CG2-CD1 3.94Å; T633-F673 HydrophobicContact CG2-CE1 4.39Å; T633-F673 HydrophobicContact CG2-CG 4.21Å; F634-F673 AromaticContact CD1-CD1 3.93Å; F634-F673 HydrophobicContact CD1-CD1 3.93Å; F634-F673 HydrophobicContact CD1-CE1 4.46Å; F634-F673 HydrophobicContact CE1-CB 4.5Å; F634-F673 AromaticContact CE1-CD1 3.73Å; F634-F673 HydrophobicContact CE1-CD1 3.73Å; F634-F673 HydrophobicContact CZ-CB 4.49Å; F634-F673 HydrophobicContact CZ-CD1 4.48Å; G670-F673 PolarHBondContact O-N 3.46Å; Q671-F673 VanDerWaalsContact C-N 3.27Å; Q671-F673 PolarHBondContact O-N 3.44Å; F673-V677 WeakPolarHBondContact O-CG2 3.5Å; F673-V677 PolarHBondContact O-N 3.12Å; F673-V677 VanDerWaalsContact O-N 3.16Å; F673-T753 WeakPolarHBondContact CB-OG1 3.37Å; F673-A754 HydrophobicContact CB-CB 4.49Å; F673-A754 HydrophobicContact CD1-CB 4.22Å; F673-A754 HydrophobicContact CD2-CB 3.83Å; F673-A754 HydrophobicContact CE1-CB 4.37Å; F673-A754 HydrophobicContact CE2-CB 4.03Å; F673-A754 HydrophobicContact CG-CB 3.94Å; F673-A754 HydrophobicContact CZ-CB 4.29Å
674	L	97.4	Very high	94.8	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-70.4	-45.1	173.7	177.4	61.4	0	0	0	111.7	Q671 S672 A676 V677 L678 L691 I694 L700 L751 T753 I765	Q671-L674 PolarHBondContact O-N 2.68Å; Q671-L674 VanDerWaalsContact O-N 3.1Å; S672-L674 VanDerWaalsContact C-N 3.32Å; S672-L674 PolarHBondContact O-N 3.09Å; L674-A676 VanDerWaalsContact C-N 3.27Å; L674-A676 PolarHBondContact O-N 2.87Å; L674-V677 PolarHBondContact O-N 3.3Å; L674-L678 WeakPolarHBondContact O-CG 3.4Å; L674-L678 PolarHBondContact O-N 3.33Å; L674-L678 VanDerWaalsContact O-N 3.16Å; L674-L691 HydrophobicContact CD2-CD1 3.81Å; L674-L691 HydrophobicContact CG-CD1 4.01Å; L674-I694 HydrophobicContact CD1-CD1 4.15Å; L674-I694 HydrophobicContact CD2-CB 4.44Å; L674-I694 HydrophobicContact CD2-CD1 4.49Å; L674-I694 HydrophobicContact CD2-CG2 3.85Å; L674-L700 HydrophobicContact CD2-CD2 3.64Å; L674-L751 HydrophobicContact CD1-CD1 4.12Å; L674-L751 HydrophobicContact CD2-CD1 4.16Å; L674-T753 HydrophobicContact CD1-CG2 4.37Å; L674-I765 HydrophobicContact CD1-CD1 3.87Å
675	A	97.9	Very high	94.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.4	-40.6	176.2	0	0	0	0	0	111.8	L651 I654 Q671 S672 L678 L679 L691	L651-A675 HydrophobicContact CD1-CB 3.62Å; I654-A675 HydrophobicContact CG2-CB 3.9Å; Q671-A675 PolarHBondContact O-N 3.24Å; S672-A675 PolarHBondContact O-N 3.16Å; A675-L678 PolarHBondContact O-N 2.74Å; A675-L679 WeakPolarHBondContact O-CB 3.34Å; A675-L679 PolarHBondContact O-N 3.39Å; A675-L691 HydrophobicContact CB-CD2 4.04Å
676	A	97.4	Very high	95	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.7	-41	175.9	0	0	0	0	0	112.7	T633 F634 F640 L651 S672 L674 L678 L679 L680	T633-A676 HydrophobicContact CG2-CB 3.63Å; F634-A676 HydrophobicContact CD2-CB 3.58Å; F634-A676 HydrophobicContact CE2-CB 3.6Å; F640-A676 HydrophobicContact CE1-CB 4.3Å; F640-A676 HydrophobicContact CE2-CB 3.87Å; F640-A676 HydrophobicContact CZ-CB 3.67Å; L651-A676 HydrophobicContact CD1-CB 4.02Å; L651-A676 HydrophobicContact CD2-CB 4.1Å; S672-A676 VanDerWaalsContact O-CB 3.27Å; S672-A676 WeakPolarHBondContact O-CB 3.49Å; S672-A676 PolarHBondContact O-N 3Å; L674-A676 VanDerWaalsContact C-N 3.27Å; L674-A676 PolarHBondContact O-N 2.87Å; A676-L678 VanDerWaalsContact C-N 3.3Å; A676-L678 PolarHBondContact O-N 2.65Å; A676-L679 PolarHBondContact O-N 3.08Å; A676-L680 WeakPolarHBondContact O-CG 3.04Å; A676-L680 PolarHBondContact O-N 3.24Å
677	V	97.2	Very high	95.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.7	-39.6	174.5	169.5	0	0	0	0	111.9	W596 F634 F673 L674 H681 T753 V761 F762 I765	W596-V677 HydrophobicContact CH2-CG1 3.73Å; W596-V677 HydrophobicContact CZ3-CG1 3.91Å; F634-V677 HydrophobicContact CE2-CG2 3.65Å; F634-V677 HydrophobicContact CZ-CG2 3.56Å; F673-V677 WeakPolarHBondContact O-CG2 3.5Å; F673-V677 PolarHBondContact O-N 3.12Å; F673-V677 VanDerWaalsContact O-N 3.16Å; L674-V677 PolarHBondContact O-N 3.3Å; V677-H681 PolarHBondContact O-ND1 2.8Å; V677-T753 HydrophobicContact CG2-CG2 3.98Å; V677-V761 HydrophobicContact CG2-CG1 3.85Å; V677-F762 HydrophobicContact CB-CE1 4.47Å; V677-F762 HydrophobicContact CG1-CD1 3.76Å; V677-F762 HydrophobicContact CG1-CE1 3.87Å; V677-F762 HydrophobicContact CG2-CE1 4.15Å; V677-I765 HydrophobicContact CG1-CG1 4.1Å
678	L	97.8	Very high	95.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.6	-47.2	176.6	-62.9	173.9	0	0	0	111.2	W596 L674 A675 A676 L680 H681 M682 A687 V690 L691 I694	W596-L678 HydrophobicContact CE3-CD2 3.85Å; W596-L678 HydrophobicContact CZ3-CD2 4.08Å; L674-L678 WeakPolarHBondContact O-CG 3.4Å; L674-L678 PolarHBondContact O-N 3.33Å; L674-L678 VanDerWaalsContact O-N 3.16Å; A675-L678 PolarHBondContact O-N 2.74Å; A676-L678 VanDerWaalsContact C-N 3.3Å; A676-L678 PolarHBondContact O-N 2.65Å; L678-L680 PolarHBondContact O-N 3.03Å; L678-H681 PolarHBondContact O-N 3.24Å; L678-M682 HydrophobicContact CB-CE 4.39Å; L678-M682 HydrophobicContact CD2-CE 4.06Å; L678-M682 PolarHBondContact O-N 3.19Å; L678-M682 VanDerWaalsContact O-N 3.11Å; L678-A687 HydrophobicContact CB-CB 3.95Å; L678-A687 WeakPolarHBondContact CD1-O 3.32Å; L678-V690 HydrophobicContact CD1-CB 4.17Å; L678-V690 HydrophobicContact CD1-CG1 4.04Å; L678-V690 HydrophobicContact CD2-CB 4.27Å; L678-V690 HydrophobicContact CD2-CG1 3.6Å; L678-V690 HydrophobicContact CG-CG1 4.46Å; L678-L691 HydrophobicContact CD1-CB 3.85Å; L678-L691 HydrophobicContact CD1-CD1 4.45Å; L678-I694 HydrophobicContact CD1-CD1 4.3Å; L678-I694 HydrophobicContact CD2-CD1 4.24Å
679	L	97.3	Very high	95.3	Very high	13 Å²	13	22 Å²	22	7%	0.068	11%	0.113	C	C	.	.	H	α-helix	trans	-62.3	-25.9	-179.1	-179.3	62	0	0	0	113.8	Y639 F640 L651 I654 A675 A676 H681 A687	Y639-L679 HydrophobicContact CE1-CD2 4.13Å; Y639-L679 HydrophobicContact CE1-CG 4.06Å; F640-L679 HydrophobicContact CE1-CD2 3.97Å; F640-L679 HydrophobicContact CZ-CD2 4.2Å; L651-L679 HydrophobicContact CB-CD2 4.19Å; I654-L679 HydrophobicContact CD1-CB 4.3Å; I654-L679 HydrophobicContact CD1-CD1 4.14Å; I654-L679 HydrophobicContact CD1-CD2 4.2Å; I654-L679 HydrophobicContact CD1-CG 4.45Å; A675-L679 WeakPolarHBondContact O-CB 3.34Å; A675-L679 PolarHBondContact O-N 3.39Å; A676-L679 PolarHBondContact O-N 3.08Å; L679-H681 PolarHBondContact O-N 2.89Å; L679-A687 HydrophobicContact CB-CB 4.27Å
680	L	95.3	Very high	95.8	Very high	45 Å²	45	16.4 Å²	16.4	24%	0.236	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.4	172	-72.3	177.4	0	0	0	114.2	F634 H637 Y639 F640 A676 L678 L758 F762	F634-L680 HydrophobicContact CD2-CD1 4.48Å; H637-L680 WeakPolarHBondContact CE1-CD2 3.36Å; Y639-L680 HydrophobicContact CD1-CD2 4Å; Y639-L680 HydrophobicContact CG-CD2 4.41Å; F640-L680 HydrophobicContact CD2-CD2 4.43Å; F640-L680 HydrophobicContact CE2-CD1 4.1Å; F640-L680 HydrophobicContact CE2-CD2 3.61Å; F640-L680 HydrophobicContact CE2-CG 3.75Å; F640-L680 HydrophobicContact CZ-CD2 4.16Å; F640-L680 HydrophobicContact CZ-CG 4.25Å; A676-L680 WeakPolarHBondContact O-CG 3.04Å; A676-L680 PolarHBondContact O-N 3.24Å; L678-L680 PolarHBondContact O-N 3.03Å; L680-L758 HydrophobicContact CD1-CD1 4.29Å; L680-F762 HydrophobicContact CD1-CZ 4.05Å
681	H	95.3	Very high	96.3	Very high	30 Å²	30	16.1 Å²	16.1	14%	0.139	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-18.8	-173.1	-63.1	94.4	0	0	0	114.3	E589 R592 G593 W596 V677 L678 L679 F762	E589-H681 IonicContact OE1-NE2 2.85Å; E589-H681 IonicContact OE2-NE2 3.78Å; E589-H681 PolarHBondContact OE2-NE2 3.42Å; R592-H681 HydrophobicContact CB-CB 4.45Å; R592-H681 VanDerWaalsContact CB-CD2 3.47Å; R592-H681 WeakPolarHBondContact CB-CD2 3.45Å; R592-H681 WeakPolarHBondContact CD-NE2 3.16Å; G593-H681 WeakPolarHBondContact CA-O 3.29Å; W596-H681 HydrophobicContact CE3-CB 4.33Å; W596-H681 AromaticContact CH2-CE1 3.43Å; W596-H681 VanDerWaalsContact CH2-CE1 3.43Å; W596-H681 WeakPolarHBondContact CH2-CE1 3.28Å; W596-H681 AromaticContact CH2-ND1 3.44Å; W596-H681 WeakPolarHBondContact CH2-ND1 3.32Å; W596-H681 HydrophobicContact CZ3-CB 4.12Å; W596-H681 AromaticContact CZ3-CE1 3.82Å; W596-H681 AromaticContact CZ3-CG 3.76Å; W596-H681 AromaticContact CZ3-ND1 3.3Å; W596-H681 VanDerWaalsContact CZ3-ND1 3.3Å; W596-H681 WeakPolarHBondContact CZ3-ND1 3.45Å; V677-H681 PolarHBondContact O-ND1 2.8Å; L678-H681 PolarHBondContact O-N 3.24Å; L679-H681 PolarHBondContact O-N 2.89Å; H681-F762 AromaticContact CE1-CD1 3.72Å; H681-F762 AromaticContact CE1-CD2 3.55Å; H681-F762 AromaticContact CE1-CE1 3.62Å; H681-F762 AromaticContact CE1-CE2 3.44Å; H681-F762 VanDerWaalsContact CE1-CE2 3.44Å; H681-F762 WeakPolarHBondContact CE1-CE2 3.36Å; H681-F762 AromaticContact CE1-CG 3.7Å; H681-F762 AromaticContact CE1-CZ 3.48Å; H681-F762 VanDerWaalsContact CE1-CZ 3.48Å; H681-F762 WeakPolarHBondContact CE1-CZ 3.42Å; H681-F762 AromaticContact NE2-CD2 3.52Å; H681-F762 AromaticContact NE2-CE2 3.57Å; H681-F762 AromaticContact NE2-CG 3.99Å
682	M	94.5	Very high	96.5	Very high	10 Å²	10	16.1 Å²	16.1	5%	0.049	9%	0.085	C	C	.	.	S	Bend	trans	-149.4	157.8	-178.7	72.2	-163.1	77.3	0	0	111.2	W596 Q597 L678 Q686 A687 V690	W596-M682 HydrophobicContact CB-CE 4.2Å; W596-M682 HydrophobicContact CE3-CE 3.85Å; Q597-M682 HydrophobicContact CG-SD 3.93Å; L678-M682 HydrophobicContact CB-CE 4.39Å; L678-M682 HydrophobicContact CD2-CE 4.06Å; L678-M682 PolarHBondContact O-N 3.19Å; L678-M682 VanDerWaalsContact O-N 3.11Å; M682-Q686 HydrophobicContact CB-CB 4.21Å; M682-Q686 HydrophobicContact CG-CB 3.94Å; M682-Q686 HydrophobicContact SD-CB 4.04Å; M682-A687 HydrophobicContact CG-CB 3.92Å; M682-V690 HydrophobicContact CE-CG2 4.26Å; M682-V690 HydrophobicContact SD-CB 4.13Å; M682-V690 HydrophobicContact SD-CG2 3.65Å
683	P	94.7	Very high	96.4	Very high	84 Å²	84	18.1 Å²	18.1	55%	0.545	9%	0.094	S	C	.	.			trans	-66.7	164.2	-177.4	-13.9	27.8	0	0	0	113.3	E685 Q686 A687	P683-E685 PolarHBondContact O-N 2.88Å; P683-Q686 VanDerWaalsContact CB-OE1 3.32Å; P683-Q686 PolarHBondContact O-N 3.37Å; P683-A687 PolarHBondContact O-N 2.84Å
684	E	95.7	Very high	96.5	Very high	39 Å²	39	17.5 Å²	17.5	18%	0.182	9%	0.091	C	C	.	.	H	α-helix	trans	-43.6	-53	-173.2	-168.3	-176.8	102	0	0	114.1	Y612 S650 K653 I654 Q686 A687 F688	Y612-E684 HydrophobicContact CE1-CG 3.97Å; Y612-E684 WeakPolarHBondContact CE1-OE1 3.3Å; Y612-E684 VanDerWaalsContact OH-CG 3.24Å; Y612-E684 WeakPolarHBondContact OH-CG 3.45Å; Y612-E684 PolarHBondContact OH-OE1 3.1Å; S650-E684 WeakPolarHBondContact CA-OE2 3.45Å; S650-E684 WeakPolarHBondContact CB-OE2 3.45Å; S650-E684 PolarHBondContact OG-OE2 3.44Å; K653-E684 WeakPolarHBondContact CD-OE1 3.31Å; K653-E684 WeakPolarHBondContact CD-OE2 3.44Å; K653-E684 IonicContact NZ-OE2 2.7Å; K653-E684 PolarHBondContact NZ-OE2 3.19Å; I654-E684 HydrophobicContact CD1-CG 4.26Å; I654-E684 HydrophobicContact CG1-CG 4.06Å; E684-Q686 PolarHBondContact O-N 3.31Å; E684-A687 PolarHBondContact O-N 3.02Å; E684-F688 PolarHBondContact O-N 3.42Å
685	E	94.9	Very high	96.4	Very high	48 Å²	48	17.4 Å²	17.4	22%	0.224	9%	0.09	C	C	.	.	H	α-helix	trans	-66.1	-35.8	-177.5	-51.1	-179.6	142.5	0	0	112.8	V609 Y612 R613 P683 S689	V609-E685 HydrophobicContact CG1-CB 4.25Å; V609-E685 HydrophobicContact CG1-CG 4.39Å; V609-E685 VanDerWaalsContact CG1-OE2 3.31Å; V609-E685 WeakPolarHBondContact CG1-OE2 3.42Å; V609-E685 HydrophobicContact CG2-CB 4.22Å; Y612-E685 HydrophobicContact CD1-CB 4.4Å; Y612-E685 HydrophobicContact CD1-CG 4.07Å; Y612-E685 HydrophobicContact CE1-CG 4.4Å; R613-E685 IonicContact CZ-OE1 2.67Å; R613-E685 IonicContact NE-OE1 3.69Å; R613-E685 PolarHBondContact NE-OE1 2.91Å; R613-E685 IonicContact NH2-OE1 2.86Å; R613-E685 PolarHBondContact NH2-OE1 3.41Å; R613-E685 IonicContact NH2-OE2 3.15Å; R613-E685 PolarHBondContact NH2-OE2 2.96Å; P683-E685 PolarHBondContact O-N 2.88Å; E685-S689 PolarHBondContact O-N 3.24Å; E685-S689 VanDerWaalsContact O-N 3.13Å; E685-S689 PolarHBondContact O-OG 3.25Å
686	Q	95.2	Very high	96.3	Very high	44 Å²	44	20.9 Å²	20.9	21%	0.206	11%	0.106	C	C	.	.	H	α-helix	trans	-78.5	-35.8	178.4	-68.9	71.9	47.6	0	0	111	Q597 M682 P683 E684 S689 V690	Q597-Q686 VanDerWaalsContact OE1-CG 3.27Å; M682-Q686 HydrophobicContact CB-CB 4.21Å; M682-Q686 HydrophobicContact CG-CB 3.94Å; M682-Q686 HydrophobicContact SD-CB 4.04Å; P683-Q686 VanDerWaalsContact CB-OE1 3.32Å; P683-Q686 PolarHBondContact O-N 3.37Å; E684-Q686 PolarHBondContact O-N 3.31Å; Q686-S689 WeakPolarHBondContact O-CB 3.27Å; Q686-S689 PolarHBondContact O-N 3.42Å; Q686-S689 VanDerWaalsContact O-N 3.16Å; Q686-V690 PolarHBondContact O-N 3.44Å
687	A	97.1	Very high	96.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.4	-41.9	174.9	0	0	0	0	0	111.2	I654 L678 L679 M682 P683 E684 L691	I654-A687 HydrophobicContact CD1-CB 3.84Å; L678-A687 HydrophobicContact CB-CB 3.95Å; L678-A687 WeakPolarHBondContact CD1-O 3.32Å; L679-A687 HydrophobicContact CB-CB 4.27Å; M682-A687 HydrophobicContact CG-CB 3.92Å; P683-A687 PolarHBondContact O-N 2.84Å; E684-A687 PolarHBondContact O-N 3.02Å; A687-L691 VanDerWaalsContact O-CB 3.29Å; A687-L691 WeakPolarHBondContact O-CB 3.19Å; A687-L691 PolarHBondContact O-N 3.45Å
688	F	97.4	Very high	96.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.8	-46.8	168.7	172.1	-100.6	0	0	0	112.2	L608 Y612 L615 I654 A657 Y661 E684 V690 L691 V692	L608-F688 HydrophobicContact CD2-CE1 4.38Å; Y612-F688 HydrophobicContact CD2-CB 3.63Å; Y612-F688 AromaticContact CD2-CD1 3.41Å; Y612-F688 HydrophobicContact CD2-CD1 3.41Å; Y612-F688 VanDerWaalsContact CD2-CD1 3.41Å; Y612-F688 AromaticContact CD2-CD2 3.58Å; Y612-F688 HydrophobicContact CD2-CD2 3.58Å; Y612-F688 AromaticContact CD2-CE1 3.89Å; Y612-F688 HydrophobicContact CD2-CE1 3.89Å; Y612-F688 HydrophobicContact CD2-CE2 4.05Å; Y612-F688 AromaticContact CD2-CG 3.23Å; Y612-F688 HydrophobicContact CD2-CG 3.23Å; Y612-F688 HydrophobicContact CD2-CZ 4.19Å; Y612-F688 HydrophobicContact CE2-CB 3.7Å; Y612-F688 HydrophobicContact CE2-CD1 4.31Å; Y612-F688 AromaticContact CE2-CD2 3.82Å; Y612-F688 HydrophobicContact CE2-CD2 3.82Å; Y612-F688 AromaticContact CE2-CG 3.68Å; Y612-F688 HydrophobicContact CE2-CG 3.68Å; Y612-F688 HydrophobicContact CG-CB 4.3Å; Y612-F688 AromaticContact CG-CD1 3.86Å; Y612-F688 HydrophobicContact CG-CD1 3.86Å; Y612-F688 HydrophobicContact CG-CE1 4.37Å; Y612-F688 HydrophobicContact CG-CG 4.06Å; L615-F688 HydrophobicContact CD1-CE1 4.28Å; L615-F688 HydrophobicContact CD1-CE2 4.38Å; L615-F688 HydrophobicContact CD1-CZ 3.64Å; I654-F688 HydrophobicContact CG1-CB 4.44Å; I654-F688 HydrophobicContact CG2-CB 4.37Å; A657-F688 HydrophobicContact CB-CD2 4.1Å; A657-F688 HydrophobicContact CB-CE2 3.86Å; Y661-F688 HydrophobicContact CG-CZ 4.32Å; E684-F688 PolarHBondContact O-N 3.42Å; F688-V690 PolarHBondContact O-N 3.35Å; F688-L691 WeakPolarHBondContact O-CB 3.38Å; F688-L691 PolarHBondContact O-N 3.06Å; F688-L691 VanDerWaalsContact O-N 3.15Å; F688-V692 HydrophobicContact CD1-CG2 4.41Å; F688-V692 HydrophobicContact CD2-CG2 4.32Å; F688-V692 HydrophobicContact CE1-CG2 3.95Å; F688-V692 HydrophobicContact CE2-CG2 3.84Å; F688-V692 HydrophobicContact CZ-CG2 3.64Å; F688-V692 WeakPolarHBondContact O-CG2 3.47Å; F688-V692 PolarHBondContact O-N 2.92Å
689	S	96.3	Very high	96	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.028	15%	0.149	C	C	.	.	H	α-helix	trans	-59.9	-42.7	-179.3	-61.7	0	0	0	0	112.6	E685 Q686 K693	E685-S689 PolarHBondContact O-N 3.24Å; E685-S689 VanDerWaalsContact O-N 3.13Å; E685-S689 PolarHBondContact O-OG 3.25Å; Q686-S689 WeakPolarHBondContact O-CB 3.27Å; Q686-S689 PolarHBondContact O-N 3.42Å; Q686-S689 VanDerWaalsContact O-N 3.16Å; S689-K693 PolarHBondContact O-N 2.95Å
690	V	96.8	Very high	96	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-72.3	-34.4	175.6	177.5	0	0	0	0	111.6	Q597 A600 C602 L678 M682 Q686 F688 K693 I694	Q597-V690 HydrophobicContact CG-CG2 3.82Å; A600-V690 HydrophobicContact CB-CG1 4.16Å; A600-V690 HydrophobicContact CB-CG2 4.27Å; C602-V690 HydrophobicContact CB-CG2 4.19Å; L678-V690 HydrophobicContact CD1-CB 4.17Å; L678-V690 HydrophobicContact CD1-CG1 4.04Å; L678-V690 HydrophobicContact CD2-CB 4.27Å; L678-V690 HydrophobicContact CD2-CG1 3.6Å; L678-V690 HydrophobicContact CG-CG1 4.46Å; M682-V690 HydrophobicContact CE-CG2 4.26Å; M682-V690 HydrophobicContact SD-CB 4.13Å; M682-V690 HydrophobicContact SD-CG2 3.65Å; Q686-V690 PolarHBondContact O-N 3.44Å; F688-V690 PolarHBondContact O-N 3.35Å; V690-K693 PolarHBondContact O-N 3.19Å; V690-I694 HydrophobicContact CG1-CD1 4.09Å; V690-I694 HydrophobicContact CG1-CG1 4.37Å; V690-I694 WeakPolarHBondContact O-CG1 3.46Å; V690-I694 PolarHBondContact O-N 3.03Å
691	L	97.7	Very high	96	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.9	-47.7	174	-179.3	65.2	0	0	0	111.3	I654 Y658 Q671 L674 A675 L678 A687 F688 K693 I694 M695	I654-L691 HydrophobicContact CG2-CD2 3.69Å; Y658-L691 HydrophobicContact CD2-CD2 4.1Å; Y658-L691 HydrophobicContact CD2-CG 4.2Å; Y658-L691 HydrophobicContact CG-CD2 4.4Å; Q671-L691 HydrophobicContact CG-CD1 4.19Å; L674-L691 HydrophobicContact CD2-CD1 3.81Å; L674-L691 HydrophobicContact CG-CD1 4.01Å; A675-L691 HydrophobicContact CB-CD2 4.04Å; L678-L691 HydrophobicContact CD1-CB 3.85Å; L678-L691 HydrophobicContact CD1-CD1 4.45Å; A687-L691 VanDerWaalsContact O-CB 3.29Å; A687-L691 WeakPolarHBondContact O-CB 3.19Å; A687-L691 PolarHBondContact O-N 3.45Å; F688-L691 WeakPolarHBondContact O-CB 3.38Å; F688-L691 PolarHBondContact O-N 3.06Å; F688-L691 VanDerWaalsContact O-N 3.15Å; L691-K693 VanDerWaalsContact C-N 3.26Å; L691-K693 PolarHBondContact O-N 2.63Å; L691-I694 PolarHBondContact O-N 3.02Å; L691-M695 HydrophobicContact CD1-CG 4.31Å; L691-M695 WeakPolarHBondContact O-CB 3.45Å; L691-M695 VanDerWaalsContact O-CG 3.29Å; L691-M695 WeakPolarHBondContact O-CG 3.49Å; L691-M695 PolarHBondContact O-N 3.22Å
692	V	96.8	Very high	96	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.03	15%	0.147	C	C	.	.	H	α-helix	trans	-56.3	-43	174.1	169.4	0	0	0	0	110.6	L608 Y658 Y661 F688 M695 F696	L608-V692 HydrophobicContact CD1-CB 4.27Å; L608-V692 HydrophobicContact CD1-CG1 4.1Å; L608-V692 HydrophobicContact CD2-CG1 4.45Å; Y658-V692 HydrophobicContact CD2-CG2 4.27Å; Y658-V692 HydrophobicContact CE2-CG2 4.42Å; Y661-V692 HydrophobicContact CD1-CG1 4.45Å; Y661-V692 HydrophobicContact CD1-CG2 4.05Å; Y661-V692 HydrophobicContact CE1-CB 4.46Å; Y661-V692 HydrophobicContact CE1-CG1 3.6Å; Y661-V692 HydrophobicContact CE1-CG2 3.97Å; F688-V692 HydrophobicContact CD1-CG2 4.41Å; F688-V692 HydrophobicContact CD2-CG2 4.32Å; F688-V692 HydrophobicContact CE1-CG2 3.95Å; F688-V692 HydrophobicContact CE2-CG2 3.84Å; F688-V692 HydrophobicContact CZ-CG2 3.64Å; F688-V692 WeakPolarHBondContact O-CG2 3.47Å; F688-V692 PolarHBondContact O-N 2.92Å; V692-M695 PolarHBondContact O-N 2.88Å; V692-F696 HydrophobicContact CG1-CD2 4.17Å; V692-F696 WeakPolarHBondContact O-CD2 3.44Å; V692-F696 PolarHBondContact O-N 2.94Å
693	K	96	Very high	96	Very high	42 Å²	42	27.9 Å²	27.9	18%	0.183	15%	0.145	C	C	.	.	H	α-helix	trans	-63.7	-44.8	175.2	-72.9	-57.5	-172.5	-177.7	0	113.8	A600 C602 S689 V690 L691 M695 D697 Y698	A600-K693 HydrophobicContact CB-CB 4.19Å; C602-K693 WeakPolarHBondContact SG-CG 3.46Å; S689-K693 PolarHBondContact O-N 2.95Å; V690-K693 PolarHBondContact O-N 3.19Å; L691-K693 VanDerWaalsContact C-N 3.26Å; L691-K693 PolarHBondContact O-N 2.63Å; K693-M695 VanDerWaalsContact C-N 3.28Å; K693-M695 PolarHBondContact O-N 3.44Å; K693-D697 HydrophobicContact CD-CB 4.04Å; K693-D697 WeakPolarHBondContact CD-OD1 3.27Å; K693-D697 IonicContact NZ-OD1 3.36Å; K693-D697 PolarHBondContact NZ-OD1 3.47Å; K693-D697 IonicContact NZ-OD2 3.77Å; K693-D697 PolarHBondContact NZ-OD2 3.31Å; K693-D697 WeakPolarHBondContact O-CA 3.38Å; K693-D697 WeakPolarHBondContact O-CB 3.38Å; K693-D697 PolarHBondContact O-N 3.25Å; K693-Y698 WeakPolarHBondContact O-CD2 3.49Å; K693-Y698 PolarHBondContact O-N 3.04Å; K693-Y698 VanDerWaalsContact O-N 3.14Å
694	I	97.3	Very high	95.9	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-63.6	-38.2	177.7	-65.6	172.1	0	0	0	111	L674 L678 V690 L691 Y698 L700 L751 L768 L769	L674-I694 HydrophobicContact CD1-CD1 4.15Å; L674-I694 HydrophobicContact CD2-CB 4.44Å; L674-I694 HydrophobicContact CD2-CD1 4.49Å; L674-I694 HydrophobicContact CD2-CG2 3.85Å; L678-I694 HydrophobicContact CD1-CD1 4.3Å; L678-I694 HydrophobicContact CD2-CD1 4.24Å; V690-I694 HydrophobicContact CG1-CD1 4.09Å; V690-I694 HydrophobicContact CG1-CG1 4.37Å; V690-I694 WeakPolarHBondContact O-CG1 3.46Å; V690-I694 PolarHBondContact O-N 3.03Å; L691-I694 PolarHBondContact O-N 3.02Å; I694-Y698 WeakPolarHBondContact O-CB 3.29Å; I694-L700 HydrophobicContact CG2-CB 4.23Å; I694-L700 HydrophobicContact CG2-CD2 3.9Å; I694-L700 WeakPolarHBondContact O-CB 3.43Å; I694-L700 PolarHBondContact O-N 2.87Å; I694-L751 HydrophobicContact CG2-CD1 3.94Å; I694-L768 HydrophobicContact CG1-CD2 4.48Å; I694-L768 HydrophobicContact CG2-CD2 4.22Å; I694-L769 HydrophobicContact CD1-CD2 4.08Å; I694-L769 HydrophobicContact CG1-CD2 3.79Å
695	M	96.6	Very high	95.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-69.1	-50.9	178.9	-68	-63.6	-76.2	0	0	112.4	Y658 I665 L691 V692 K693 L700 R701 F704	Y658-M695 HydrophobicContact CE1-CE 4.08Å; Y658-M695 HydrophobicContact CE2-CB 3.78Å; Y658-M695 HydrophobicContact CE2-CG 3.61Å; Y658-M695 VanDerWaalsContact OH-CB 3.22Å; Y658-M695 WeakPolarHBondContact OH-CB 3.32Å; Y658-M695 WeakPolarHBondContact OH-CE 3.41Å; I665-M695 HydrophobicContact CD1-CE 4.18Å; L691-M695 HydrophobicContact CD1-CG 4.31Å; L691-M695 WeakPolarHBondContact O-CB 3.45Å; L691-M695 VanDerWaalsContact O-CG 3.29Å; L691-M695 WeakPolarHBondContact O-CG 3.49Å; L691-M695 PolarHBondContact O-N 3.22Å; V692-M695 PolarHBondContact O-N 2.88Å; K693-M695 VanDerWaalsContact C-N 3.28Å; K693-M695 PolarHBondContact O-N 3.44Å; M695-L700 PolarHBondContact O-N 2.82Å; M695-L700 HydrophobicContact SD-CB 4.07Å; M695-L700 HydrophobicContact SD-CD2 3.76Å; M695-L700 HydrophobicContact SD-CG 3.8Å; M695-R701 HydrophobicContact CB-CB 4.22Å; M695-R701 HydrophobicContact CE-CB 3.91Å; M695-R701 VanDerWaalsContact O-CB 3.31Å; M695-R701 WeakPolarHBondContact O-CB 3.36Å; M695-R701 WeakPolarHBondContact O-CG 3.36Å; M695-R701 PolarHBondContact O-N 2.89Å; M695-F704 HydrophobicContact CE-CE2 4.44Å
696	F	95.4	Very high	95.4	Very high	73 Å²	73	30.6 Å²	30.6	32%	0.32	15%	0.149	S	C	.	.	H	α-helix	trans	-89.1	-63.9	-175.5	-73.6	-103.9	0	0	0	113.3	Y658 Y661 D662 V692 Y698 G699	Y658-F696 HydrophobicContact CE2-CE2 4.32Å; Y658-F696 WeakPolarHBondContact OH-CE2 3.38Å; Y661-F696 HydrophobicContact CD1-CE2 4.08Å; Y661-F696 HydrophobicContact CD1-CZ 4.38Å; Y661-F696 HydrophobicContact CE1-CD2 4.41Å; Y661-F696 AromaticContact CE1-CE2 3.79Å; Y661-F696 HydrophobicContact CE1-CE2 3.79Å; Y661-F696 HydrophobicContact CE1-CZ 4.06Å; D662-F696 HydrophobicContact CB-CE2 4.18Å; D662-F696 HydrophobicContact CB-CZ 4.08Å; V692-F696 HydrophobicContact CG1-CD2 4.17Å; V692-F696 WeakPolarHBondContact O-CD2 3.44Å; V692-F696 PolarHBondContact O-N 2.94Å; F696-Y698 VanDerWaalsContact C-N 3.35Å; F696-Y698 PolarHBondContact O-N 3.46Å; F696-G699 PolarHBondContact O-N 3.18Å
697	D	95.4	Very high	95	Very high	105 Å²	105	35 Å²	35	56%	0.561	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-29.1	-173.3	-69.5	54.3	0	0	0	113.6	K693	K693-D697 HydrophobicContact CD-CB 4.04Å; K693-D697 WeakPolarHBondContact CD-OD1 3.27Å; K693-D697 IonicContact NZ-OD1 3.36Å; K693-D697 PolarHBondContact NZ-OD1 3.47Å; K693-D697 IonicContact NZ-OD2 3.77Å; K693-D697 PolarHBondContact NZ-OD2 3.31Å; K693-D697 WeakPolarHBondContact O-CA 3.38Å; K693-D697 WeakPolarHBondContact O-CB 3.38Å; K693-D697 PolarHBondContact O-N 3.25Å
698	Y	95.8	Very high	94.7	Very high	40 Å²	40	39.1 Å²	39.1	16%	0.157	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-0.4	176.2	-67.6	-106	0	0	0	113.5	R575 L599 K693 I694 F696 L700 L768 L769	R575-Y698 PolarHBondContact NH2-OH 2.93Å; L599-Y698 PolarHBondContact O-OH 3.47Å; L599-Y698 VanDerWaalsContact O-OH 3.12Å; K693-Y698 WeakPolarHBondContact O-CD2 3.49Å; K693-Y698 PolarHBondContact O-N 3.04Å; K693-Y698 VanDerWaalsContact O-N 3.14Å; I694-Y698 WeakPolarHBondContact O-CB 3.29Å; F696-Y698 VanDerWaalsContact C-N 3.35Å; F696-Y698 PolarHBondContact O-N 3.46Å; Y698-L700 PolarHBondContact O-N 3.13Å; Y698-L768 WeakPolarHBondContact CE1-O 3.41Å; Y698-L769 HydrophobicContact CE1-CD2 4.23Å; Y698-L769 HydrophobicContact CE2-CD2 4.02Å; Y698-L769 PolarHBondContact OH-O 2.86Å
699	G	95	Very high	94.5	Very high	19 Å²	19	41 Å²	41	20%	0.196	20%	0.201	C	C	.	.			trans	72	19.7	172	0	0	0	0	0	116	F696 R701 D702	F696-G699 PolarHBondContact O-N 3.18Å; G699-R701 VanDerWaalsContact C-N 3.27Å; G699-R701 PolarHBondContact O-N 3.16Å; G699-D702 PolarHBondContact O-N 3.38Å
700	L	96.3	Very high	94.5	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-32.2	176	177.9	59	0	0	0	111.8	L674 I694 M695 Y698 D702 L703 F704 L751 I773	L674-L700 HydrophobicContact CD2-CD2 3.64Å; I694-L700 HydrophobicContact CG2-CB 4.23Å; I694-L700 HydrophobicContact CG2-CD2 3.9Å; I694-L700 WeakPolarHBondContact O-CB 3.43Å; I694-L700 PolarHBondContact O-N 2.87Å; M695-L700 PolarHBondContact O-N 2.82Å; M695-L700 HydrophobicContact SD-CB 4.07Å; M695-L700 HydrophobicContact SD-CD2 3.76Å; M695-L700 HydrophobicContact SD-CG 3.8Å; Y698-L700 PolarHBondContact O-N 3.13Å; L700-D702 VanDerWaalsContact C-N 3.27Å; L700-D702 PolarHBondContact O-N 2.94Å; L700-L703 HydrophobicContact CD1-CD1 3.89Å; L700-L703 HydrophobicContact CD1-CG 4.49Å; L700-L703 PolarHBondContact O-N 3.39Å; L700-F704 HydrophobicContact CD1-CE2 4.34Å; L700-F704 HydrophobicContact CG-CE2 4.33Å; L700-F704 WeakPolarHBondContact O-CD2 3.25Å; L700-L751 HydrophobicContact CD1-CD2 4.05Å; L700-L751 HydrophobicContact CD1-CG 4.47Å; L700-L751 HydrophobicContact CD2-CD1 3.98Å; L700-L751 HydrophobicContact CD2-CD2 4.38Å; L700-L751 HydrophobicContact CD2-CG 4.03Å; L700-I773 HydrophobicContact CB-CD1 4.33Å; L700-I773 HydrophobicContact CD1-CD1 4.38Å
701	R	95.9	Very high	94.4	Very high	20 Å²	20	43.4 Å²	43.4	8%	0.075	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-63.3	-31.6	180	76.4	-173.3	-69.3	-90.8	-3.5	113.4	D662 E664 I665 M695 G699 L703 F704 K705	D662-R701 VanDerWaalsContact CG-NH2 3.3Å; D662-R701 IonicContact OD1-CZ 2.69Å; D662-R701 IonicContact OD1-NE 3.49Å; D662-R701 IonicContact OD1-NH2 3.53Å; D662-R701 PolarHBondContact OD1-NH2 3.21Å; D662-R701 IonicContact OD2-CZ 2.75Å; D662-R701 IonicContact OD2-NE 3.57Å; D662-R701 PolarHBondContact OD2-NE 3.15Å; D662-R701 IonicContact OD2-NH2 3.89Å; D662-R701 PolarHBondContact OD2-NH2 3.2Å; E664-R701 IonicContact OE2-CZ 3.44Å; E664-R701 IonicContact OE2-NH1 2.7Å; E664-R701 PolarHBondContact OE2-NH1 3.36Å; E664-R701 IonicContact OE2-NH2 2.66Å; E664-R701 PolarHBondContact OE2-NH2 2.9Å; I665-R701 HydrophobicContact CD1-CB 3.73Å; M695-R701 HydrophobicContact CB-CB 4.22Å; M695-R701 HydrophobicContact CE-CB 3.91Å; M695-R701 VanDerWaalsContact O-CB 3.31Å; M695-R701 WeakPolarHBondContact O-CB 3.36Å; M695-R701 WeakPolarHBondContact O-CG 3.36Å; M695-R701 PolarHBondContact O-N 2.89Å; G699-R701 VanDerWaalsContact C-N 3.27Å; G699-R701 PolarHBondContact O-N 3.16Å; R701-L703 PolarHBondContact O-N 2.92Å; R701-F704 PolarHBondContact O-N 2.88Å; R701-F704 VanDerWaalsContact O-N 3.1Å; R701-K705 VanDerWaalsContact NH1-CE 3.29Å; R701-K705 VanDerWaalsContact NH1-NZ 3.14Å
702	D	95.4	Very high	94.3	Very high	55 Å²	55	47.2 Å²	47.2	29%	0.294	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-69.4	-22.7	-175.2	-60.3	-49.9	0	0	0	112.2	G699 L700 F704 K705 D710	G699-D702 PolarHBondContact O-N 3.38Å; L700-D702 VanDerWaalsContact C-N 3.27Å; L700-D702 PolarHBondContact O-N 2.94Å; D702-F704 PolarHBondContact O-N 3.14Å; D702-K705 HydrophobicContact CB-CD 4.47Å; D702-K705 WeakPolarHBondContact O-CB 3.38Å; D702-K705 PolarHBondContact O-N 3.21Å; D702-K705 WeakPolarHBondContact OD1-CD 3.39Å; D702-K705 WeakPolarHBondContact OD1-CE 3.24Å; D702-K705 IonicContact OD1-NZ 2.75Å; D702-D710 WeakPolarHBondContact O-CB 3.39Å
703	L	94.9	Very high	94.3	Very high	2 Å²	2	47 Å²	47	1%	0.01	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-63.7	-22.8	172.7	-55.8	-167.9	0	0	0	113.7	L700 R701 F708 L711 K714 F748 L749 I773	L700-L703 HydrophobicContact CD1-CD1 3.89Å; L700-L703 HydrophobicContact CD1-CG 4.49Å; L700-L703 PolarHBondContact O-N 3.39Å; R701-L703 PolarHBondContact O-N 2.92Å; L703-F708 WeakPolarHBondContact O-CD1 3.38Å; L703-L711 HydrophobicContact CB-CB 4.38Å; L703-L711 HydrophobicContact CD1-CD1 4.34Å; L703-K714 HydrophobicContact CD2-CD 4.35Å; L703-K714 HydrophobicContact CD2-CG 3.82Å; L703-F748 HydrophobicContact CD1-CB 4.05Å; L703-L749 HydrophobicContact CB-CD2 3.73Å; L703-L749 HydrophobicContact CD1-CD2 4.35Å; L703-I773 HydrophobicContact CD1-CD1 4.42Å
704	F	92.7	Very high	94.4	Very high	28 Å²	28	46.2 Å²	46.2	12%	0.123	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-93.7	-9.4	-179.7	-61.4	-91.6	0	0	0	113	I665 C668 M695 L700 R701 D702 F708 L749	I665-F704 HydrophobicContact CD1-CB 4.36Å; C668-F704 HydrophobicContact CB-CD1 3.7Å; C668-F704 HydrophobicContact CB-CD2 4.39Å; C668-F704 HydrophobicContact CB-CE1 3.56Å; C668-F704 HydrophobicContact CB-CE2 4.26Å; C668-F704 HydrophobicContact CB-CG 4.13Å; C668-F704 HydrophobicContact CB-CZ 3.84Å; C668-F704 VanDerWaalsContact SG-CG 3.57Å; M695-F704 HydrophobicContact CE-CE2 4.44Å; L700-F704 HydrophobicContact CD1-CE2 4.34Å; L700-F704 HydrophobicContact CG-CE2 4.33Å; L700-F704 WeakPolarHBondContact O-CD2 3.25Å; R701-F704 PolarHBondContact O-N 2.88Å; R701-F704 VanDerWaalsContact O-N 3.1Å; D702-F704 PolarHBondContact O-N 3.14Å; F704-F708 AromaticContact CD1-CE1 3.87Å; F704-F708 HydrophobicContact CD1-CE1 3.87Å; F704-L749 HydrophobicContact CD1-CD2 4.12Å; F704-L749 HydrophobicContact CD2-CD2 4.33Å; F704-L749 HydrophobicContact CE1-CB 4.16Å; F704-L749 HydrophobicContact CE1-CD1 4.23Å; F704-L749 HydrophobicContact CE1-CD2 3.76Å; F704-L749 HydrophobicContact CE1-CG 4.27Å; F704-L749 HydrophobicContact CE2-CD2 4Å; F704-L749 HydrophobicContact CG-CD2 4.39Å; F704-L749 HydrophobicContact CZ-CB 3.9Å; F704-L749 HydrophobicContact CZ-CD2 3.72Å; F704-L749 HydrophobicContact CZ-CG 4.31Å
705	K	90.8	Very high	94.4	Very high	40 Å²	40	46.6 Å²	46.6	17%	0.174	23%	0.228	C	C	.	.	S	Bend	trans	-77	161	-177.6	-66.8	-173.3	174.2	-145.7	0	112.7	E664 I665 R701 D702 N707 F708	E664-K705 WeakPolarHBondContact OE1-CE 3.37Å; E664-K705 IonicContact OE1-NZ 3.59Å; E664-K705 PolarHBondContact OE1-NZ 3.38Å; E664-K705 WeakPolarHBondContact OE2-CE 3.42Å; E664-K705 IonicContact OE2-NZ 3.27Å; E664-K705 PolarHBondContact OE2-NZ 3.41Å; I665-K705 HydrophobicContact CG2-CG 4.21Å; R701-K705 VanDerWaalsContact NH1-CE 3.29Å; R701-K705 VanDerWaalsContact NH1-NZ 3.14Å; D702-K705 HydrophobicContact CB-CD 4.47Å; D702-K705 WeakPolarHBondContact O-CB 3.38Å; D702-K705 PolarHBondContact O-N 3.21Å; D702-K705 WeakPolarHBondContact OD1-CD 3.39Å; D702-K705 WeakPolarHBondContact OD1-CE 3.24Å; D702-K705 IonicContact OD1-NZ 2.75Å; K705-N707 VanDerWaalsContact C-N 3.27Å; K705-N707 PolarHBondContact O-N 3.34Å; K705-N707 VanDerWaalsContact O-N 3.14Å; K705-F708 WeakPolarHBondContact O-CA 3.47Å; K705-F708 PolarHBondContact O-N 2.93Å
706	Q	87.9	Confident	94.5	Very high	159 Å²	159	47.8 Å²	47.8	74%	0.743	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	50.3	43	166.8	-59.8	-179.7	11	0	0	113.6	F708 E709	Q706-F708 VanDerWaalsContact C-N 3.34Å; Q706-F708 PolarHBondContact O-N 3.46Å; Q706-E709 HydrophobicContact CB-CB 4.3Å
707	N	86.9	Confident	94.6	Very high	136 Å²	136	44.6 Å²	44.6	73%	0.727	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	56.7	42.1	-174.5	-48.2	-54.4	0	0	0	113.7	K705 E709	K705-N707 VanDerWaalsContact C-N 3.27Å; K705-N707 PolarHBondContact O-N 3.34Å; K705-N707 VanDerWaalsContact O-N 3.14Å; N707-E709 VanDerWaalsContact C-N 3.34Å; N707-E709 PolarHBondContact O-N 2.78Å
708	F	92.6	Very high	94.7	Very high	87 Å²	87	39.6 Å²	39.6	38%	0.382	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	68.5	21.2	176.4	-50	-85.9	0	0	0	115.3	L703 F704 K705 Q706 D710 L711 H712 L749	L703-F708 WeakPolarHBondContact O-CD1 3.38Å; F704-F708 AromaticContact CD1-CE1 3.87Å; F704-F708 HydrophobicContact CD1-CE1 3.87Å; K705-F708 WeakPolarHBondContact O-CA 3.47Å; K705-F708 PolarHBondContact O-N 2.93Å; Q706-F708 VanDerWaalsContact C-N 3.34Å; Q706-F708 PolarHBondContact O-N 3.46Å; F708-D710 PolarHBondContact O-N 3.23Å; F708-L711 HydrophobicContact CB-CB 4.1Å; F708-L711 HydrophobicContact CB-CD2 4.07Å; F708-L711 HydrophobicContact CD1-CD2 4.08Å; F708-L711 HydrophobicContact CG-CD2 4.39Å; F708-L711 WeakPolarHBondContact O-CA 3.24Å; F708-L711 WeakPolarHBondContact O-CB 3.31Å; F708-L711 PolarHBondContact O-N 3.25Å; F708-H712 PolarHBondContact O-CD2 2.81Å; F708-H712 PolarHBondContact O-N 3.35Å; F708-L749 HydrophobicContact CD1-CD1 4.36Å; F708-L749 HydrophobicContact CD1-CD2 4.47Å; F708-L749 HydrophobicContact CE1-CD1 4.16Å
709	E	92.9	Very high	94.8	Very high	40 Å²	40	39.6 Å²	39.6	19%	0.187	19%	0.194	C	C	.	.	H	α-helix	trans	-52.7	-42.4	179.3	-172.5	61.7	-148.9	0	0	112.5	Q706 N707 L711 H712 C713 Y841 R845	Q706-E709 HydrophobicContact CB-CB 4.3Å; N707-E709 VanDerWaalsContact C-N 3.34Å; N707-E709 PolarHBondContact O-N 2.78Å; E709-L711 VanDerWaalsContact C-N 3.31Å; E709-L711 PolarHBondContact O-N 2.7Å; E709-H712 PolarHBondContact O-N 3.08Å; E709-C713 PolarHBondContact O-N 3.01Å; E709-Y841 WeakPolarHBondContact OE1-CE1 3.31Å; E709-Y841 VanDerWaalsContact OE1-CZ 3.27Å; E709-Y841 PolarHBondContact OE1-OH 3.44Å; E709-R845 IonicContact OE1-CZ 2.72Å; E709-R845 IonicContact OE1-NE 2.78Å; E709-R845 PolarHBondContact OE1-NE 3.45Å; E709-R845 IonicContact OE1-NH2 3.53Å; E709-R845 IonicContact OE2-CZ 3.49Å; E709-R845 IonicContact OE2-NE 2.79Å; E709-R845 IonicContact OE2-NH2 2.92Å; E709-R845 PolarHBondContact OE2-NH2 3.08Å
710	D	94.7	Very high	94.9	Very high	49 Å²	49	41.6 Å²	41.6	26%	0.262	20%	0.196	S	C	.	.	H	α-helix	trans	-72.8	-25.4	-177.4	-148.9	53	0	0	0	112.7	D702 F708 C713 K714	D702-D710 WeakPolarHBondContact O-CB 3.39Å; F708-D710 PolarHBondContact O-N 3.23Å; D710-C713 WeakPolarHBondContact O-CB 3.49Å; D710-K714 WeakPolarHBondContact O-CD 3.48Å; D710-K714 VanDerWaalsContact O-CE 3.24Å; D710-K714 WeakPolarHBondContact O-CE 3.28Å; D710-K714 VanDerWaalsContact O-CG 3.25Å; D710-K714 WeakPolarHBondContact O-CG 3.49Å; D710-K714 PolarHBondContact O-N 3.41Å; D710-K714 PolarHBondContact O-NZ 3.02Å; D710-K714 IonicContact OD1-NZ 3.81Å; D710-K714 PolarHBondContact OD1-NZ 2.87Å; D710-K714 WeakPolarHBondContact OD2-CE 3.29Å; D710-K714 IonicContact OD2-NZ 2.74Å; D710-K714 PolarHBondContact OD2-NZ 2.68Å
711	L	96.2	Very high	95	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-74.4	-41.8	169.7	178.6	74.6	0	0	0	111.6	L703 F708 E709 C713 K714 F715 F748 L749	L703-L711 HydrophobicContact CB-CB 4.38Å; L703-L711 HydrophobicContact CD1-CD1 4.34Å; F708-L711 HydrophobicContact CB-CB 4.1Å; F708-L711 HydrophobicContact CB-CD2 4.07Å; F708-L711 HydrophobicContact CD1-CD2 4.08Å; F708-L711 HydrophobicContact CG-CD2 4.39Å; F708-L711 WeakPolarHBondContact O-CA 3.24Å; F708-L711 WeakPolarHBondContact O-CB 3.31Å; F708-L711 PolarHBondContact O-N 3.25Å; E709-L711 VanDerWaalsContact C-N 3.31Å; E709-L711 PolarHBondContact O-N 2.7Å; L711-C713 VanDerWaalsContact C-N 3.27Å; L711-C713 PolarHBondContact O-N 2.75Å; L711-K714 CarbonylContact O-C 3.54Å; L711-K714 WeakPolarHBondContact O-CA 3.46Å; L711-K714 WeakPolarHBondContact O-CB 3.47Å; L711-K714 PolarHBondContact O-N 2.96Å; L711-F715 HydrophobicContact CD1-CE1 4.01Å; L711-F715 HydrophobicContact CD1-CZ 3.82Å; L711-F715 HydrophobicContact CD2-CE2 3.87Å; L711-F715 HydrophobicContact CD2-CZ 3.6Å; L711-F715 HydrophobicContact CG-CD2 4.49Å; L711-F715 HydrophobicContact CG-CE1 4.09Å; L711-F715 HydrophobicContact CG-CE2 3.71Å; L711-F715 HydrophobicContact CG-CZ 3.46Å; L711-F715 VanDerWaalsContact CG-CZ 3.46Å; L711-F715 PolarHBondContact O-N 2.97Å; L711-F748 HydrophobicContact CD1-CB 3.55Å; L711-F748 HydrophobicContact CD1-CD2 4.45Å; L711-F748 HydrophobicContact CD1-CG 4.17Å; L711-L749 HydrophobicContact CD1-CD2 3.93Å; L711-L749 HydrophobicContact CD1-CG 4.04Å; L711-L749 HydrophobicContact CD2-CD1 3.87Å; L711-L749 HydrophobicContact CD2-CD2 3.96Å; L711-L749 HydrophobicContact CD2-CG 3.94Å; L711-L749 HydrophobicContact CG-CD2 4.41Å
712	H	95.7	Very high	95.1	Very high	80 Å²	80	40.6 Å²	40.6	37%	0.37	19%	0.192	S	C	.	.	H	α-helix	trans	-60.8	-37.5	172.8	-72.9	-70	0	0	0	111.6	F708 E709 K714 F715 F716 Y841	F708-H712 PolarHBondContact O-CD2 2.81Å; F708-H712 PolarHBondContact O-N 3.35Å; E709-H712 PolarHBondContact O-N 3.08Å; H712-K714 VanDerWaalsContact C-N 3.33Å; H712-K714 PolarHBondContact O-N 3.14Å; H712-F715 AromaticContact ND1-CD2 3.89Å; H712-F715 PolarHBondContact O-N 3.44Å; H712-F716 PolarHBondContact O-N 2.69Å; H712-Y841 HydrophobicContact CB-CE2 4.42Å; H712-Y841 VanDerWaalsContact CB-OH 3.27Å; H712-Y841 WeakPolarHBondContact CB-OH 3.47Å
713	C	97.1	Very high	95.1	Very high	1 Å²	1	42 Å²	42	1%	0.007	20%	0.197	C	C	.	.	H	α-helix	trans	-57.9	-41.5	167.4	-178.9	0	0	0	0	112.1	E709 D710 L711 F716 Q717 Y841	E709-C713 PolarHBondContact O-N 3.01Å; D710-C713 WeakPolarHBondContact O-CB 3.49Å; L711-C713 VanDerWaalsContact C-N 3.27Å; L711-C713 PolarHBondContact O-N 2.75Å; C713-F716 PolarHBondContact O-N 3.41Å; C713-Q717 WeakPolarHBondContact O-CG 3.32Å; C713-Q717 PolarHBondContact O-N 2.84Å; C713-Y841 HydrophobicContact CB-CD1 3.54Å; C713-Y841 HydrophobicContact CB-CE1 3.63Å; C713-Y841 HydrophobicContact CB-CG 4.12Å
714	K	97.6	Very high	95.2	Very high	24 Å²	24	46.9 Å²	46.9	10%	0.104	22%	0.219	C	C	.	.	H	α-helix	trans	-67.9	-36	176.3	-50.5	-36	169.3	-121.1	0	112.3	L703 D710 L711 H712 Q717 L718 F748 F777	L703-K714 HydrophobicContact CD2-CD 4.35Å; L703-K714 HydrophobicContact CD2-CG 3.82Å; D710-K714 WeakPolarHBondContact O-CD 3.48Å; D710-K714 VanDerWaalsContact O-CE 3.24Å; D710-K714 WeakPolarHBondContact O-CE 3.28Å; D710-K714 VanDerWaalsContact O-CG 3.25Å; D710-K714 WeakPolarHBondContact O-CG 3.49Å; D710-K714 PolarHBondContact O-N 3.41Å; D710-K714 PolarHBondContact O-NZ 3.02Å; D710-K714 IonicContact OD1-NZ 3.81Å; D710-K714 PolarHBondContact OD1-NZ 2.87Å; D710-K714 WeakPolarHBondContact OD2-CE 3.29Å; D710-K714 IonicContact OD2-NZ 2.74Å; D710-K714 PolarHBondContact OD2-NZ 2.68Å; L711-K714 CarbonylContact O-C 3.54Å; L711-K714 WeakPolarHBondContact O-CA 3.46Å; L711-K714 WeakPolarHBondContact O-CB 3.47Å; L711-K714 PolarHBondContact O-N 2.96Å; H712-K714 VanDerWaalsContact C-N 3.33Å; H712-K714 PolarHBondContact O-N 3.14Å; K714-Q717 VanDerWaalsContact CD-OE1 3.22Å; K714-Q717 WeakPolarHBondContact O-CB 3.44Å; K714-Q717 PolarHBondContact O-N 2.91Å; K714-L718 PolarHBondContact O-N 2.78Å; K714-F748 HydrophobicContact CB-CD1 4.05Å; K714-F748 HydrophobicContact CB-CE1 3.84Å; K714-F748 HydrophobicContact CB-CE2 4.45Å; K714-F748 HydrophobicContact CB-CG 4.46Å; K714-F748 HydrophobicContact CB-CZ 4.06Å; K714-F748 HydrophobicContact CG-CD1 4.31Å; K714-F748 HydrophobicContact CG-CE1 4.39Å; K714-F777 HydrophobicContact CB-CE1 4.39Å; K714-F777 HydrophobicContact CB-CZ 3.85Å; K714-F777 HydrophobicContact CD-CZ 4.13Å; K714-F777 HydrophobicContact CG-CZ 4.31Å; K714-F777 WeakPolarHBondContact O-CE1 3.18Å
715	F	97.8	Very high	95.3	Very high	10 Å²	10	49.2 Å²	49.2	4%	0.044	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-47.9	173.2	-61.9	-34.5	0	0	0	111.6	L711 H712 Q717 L718 E719 A740 H741 A744 S745 F748	L711-F715 HydrophobicContact CD1-CE1 4.01Å; L711-F715 HydrophobicContact CD1-CZ 3.82Å; L711-F715 HydrophobicContact CD2-CE2 3.87Å; L711-F715 HydrophobicContact CD2-CZ 3.6Å; L711-F715 HydrophobicContact CG-CD2 4.49Å; L711-F715 HydrophobicContact CG-CE1 4.09Å; L711-F715 HydrophobicContact CG-CE2 3.71Å; L711-F715 HydrophobicContact CG-CZ 3.46Å; L711-F715 VanDerWaalsContact CG-CZ 3.46Å; L711-F715 PolarHBondContact O-N 2.97Å; H712-F715 AromaticContact ND1-CD2 3.89Å; H712-F715 PolarHBondContact O-N 3.44Å; F715-Q717 VanDerWaalsContact C-N 3.32Å; F715-Q717 PolarHBondContact O-N 2.79Å; F715-L718 PolarHBondContact O-N 2.82Å; F715-L718 VanDerWaalsContact O-N 3.12Å; F715-E719 WeakPolarHBondContact O-CG 3.46Å; F715-E719 PolarHBondContact O-N 3.45Å; F715-A740 HydrophobicContact CB-CB 3.99Å; F715-A740 HydrophobicContact CD1-CB 4.21Å; F715-A740 HydrophobicContact CG-CB 4.33Å; F715-H741 HydrophobicContact CD2-CB 3.6Å; F715-H741 HydrophobicContact CE2-CB 3.48Å; F715-H741 VanDerWaalsContact CE2-CB 3.48Å; F715-H741 HydrophobicContact CG-CB 4.33Å; F715-H741 HydrophobicContact CZ-CB 4.12Å; F715-A744 HydrophobicContact CD1-CB 4.34Å; F715-A744 HydrophobicContact CE1-CB 4.17Å; F715-S745 VanDerWaalsContact CZ-OG 3.27Å; F715-S745 WeakPolarHBondContact CZ-OG 3.38Å; F715-F748 HydrophobicContact CD1-CD2 4.33Å; F715-F748 HydrophobicContact CD1-CE2 4.32Å; F715-F748 HydrophobicContact CE1-CD2 4.06Å; F715-F748 HydrophobicContact CE1-CE2 4.48Å
716	F	97.4	Very high	95.5	Very high	26 Å²	26	47.6 Å²	47.6	11%	0.114	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-41.8	174.5	-178.9	-89.1	0	0	0	112.1	H712 C713 L718 E719 R720 F837 E840 Y841 I844	H712-F716 PolarHBondContact O-N 2.69Å; C713-F716 PolarHBondContact O-N 3.41Å; F716-L718 PolarHBondContact O-N 3.47Å; F716-E719 PolarHBondContact O-N 3.42Å; F716-R720 HydrophobicContact CD1-CG 3.98Å; F716-R720 HydrophobicContact CE1-CG 3.66Å; F716-R720 HydrophobicContact CE2-CG 4.45Å; F716-R720 HydrophobicContact CZ-CG 3.92Å; F716-R720 VanDerWaalsContact O-CG 3.27Å; F716-R720 WeakPolarHBondContact O-CG 3.1Å; F716-R720 PolarHBondContact O-N 2.83Å; F716-F837 HydrophobicContact CD1-CB 4.49Å; F716-F837 HydrophobicContact CE1-CB 4.4Å; F716-F837 WeakPolarHBondContact CE1-O 3.36Å; F716-E840 HydrophobicContact CE1-CB 4.09Å; F716-E840 HydrophobicContact CZ-CB 4.3Å; F716-Y841 HydrophobicContact CB-CD2 3.58Å; F716-Y841 HydrophobicContact CB-CE2 4.28Å; F716-Y841 HydrophobicContact CB-CG 4.32Å; F716-Y841 HydrophobicContact CD1-CD2 4.34Å; F716-Y841 HydrophobicContact CD2-CD2 4.2Å; F716-Y841 AromaticContact CG-CD2 3.81Å; F716-Y841 HydrophobicContact CG-CD2 3.81Å; F716-Y841 HydrophobicContact CG-CG 4.41Å; F716-I844 HydrophobicContact CE2-CD1 3.78Å; F716-I844 HydrophobicContact CZ-CD1 3.77Å
717	Q	97.9	Very high	96	Very high	5 Å²	5	43 Å²	43	2%	0.023	21%	0.205	C	C	.	.	H	α-helix	trans	-59.3	-44.2	173.9	-74.5	175.4	-30.8	0	0	112	C713 K714 F715 L721 F777 L834 F837	C713-Q717 WeakPolarHBondContact O-CG 3.32Å; C713-Q717 PolarHBondContact O-N 2.84Å; K714-Q717 VanDerWaalsContact CD-OE1 3.22Å; K714-Q717 WeakPolarHBondContact O-CB 3.44Å; K714-Q717 PolarHBondContact O-N 2.91Å; F715-Q717 VanDerWaalsContact C-N 3.32Å; F715-Q717 PolarHBondContact O-N 2.79Å; Q717-L721 WeakPolarHBondContact O-CB 3.5Å; Q717-L721 WeakPolarHBondContact O-CD1 3.27Å; Q717-L721 WeakPolarHBondContact O-CG 3.49Å; Q717-L721 PolarHBondContact O-N 3.29Å; Q717-F777 HydrophobicContact CB-CE1 3.61Å; Q717-F777 HydrophobicContact CB-CZ 3.72Å; Q717-L834 HydrophobicContact CB-CD2 4.32Å; Q717-L834 PolarHBondContact NE2-O 3.39Å; Q717-F837 HydrophobicContact CG-CB 3.91Å
718	L	98.1	Very high	96.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-45.6	177.9	179.7	59.9	0	0	0	111.4	K714 F715 F716 R720 L721 M722 A740 A744 F748 F777 A780 L781 L784	K714-L718 PolarHBondContact O-N 2.78Å; F715-L718 PolarHBondContact O-N 2.82Å; F715-L718 VanDerWaalsContact O-N 3.12Å; F716-L718 PolarHBondContact O-N 3.47Å; L718-R720 PolarHBondContact O-N 2.83Å; L718-L721 CarbonylContact O-C 3.55Å; L718-L721 WeakPolarHBondContact O-CB 3.38Å; L718-L721 PolarHBondContact O-N 3.07Å; L718-L721 VanDerWaalsContact O-N 3.14Å; L718-M722 HydrophobicContact CG-SD 4.32Å; L718-M722 WeakPolarHBondContact O-CG 3.46Å; L718-M722 PolarHBondContact O-N 3.38Å; L718-A740 HydrophobicContact CD2-CB 4.4Å; L718-A744 HydrophobicContact CD2-CB 3.9Å; L718-F748 HydrophobicContact CB-CZ 4.46Å; L718-F748 HydrophobicContact CD2-CE2 4.1Å; L718-F748 HydrophobicContact CD2-CZ 4.45Å; L718-F777 HydrophobicContact CB-CD1 4.24Å; L718-F777 HydrophobicContact CB-CE1 4.11Å; L718-F777 HydrophobicContact CD1-CD1 4.42Å; L718-A780 HydrophobicContact CD1-CB 3.85Å; L718-A780 HydrophobicContact CD2-CB 4.25Å; L718-L781 HydrophobicContact CD1-CD2 3.86Å; L718-L781 HydrophobicContact CD1-CG 4.26Å; L718-L784 HydrophobicContact CD1-CD1 4.25Å
719	E	97.4	Very high	96.7	Very high	40 Å²	40	35.7 Å²	35.7	19%	0.187	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-40.8	179.1	-73.7	178.2	-176.3	0	0	112.6	F715 F716 L721 M722 Q723 Y730 A740	F715-E719 WeakPolarHBondContact O-CG 3.46Å; F715-E719 PolarHBondContact O-N 3.45Å; F716-E719 PolarHBondContact O-N 3.42Å; E719-L721 VanDerWaalsContact C-N 3.3Å; E719-L721 PolarHBondContact O-N 3.24Å; E719-M722 PolarHBondContact O-N 2.84Å; E719-Q723 WeakPolarHBondContact O-CB 3.35Å; E719-Q723 PolarHBondContact O-N 3.29Å; E719-Y730 HydrophobicContact CB-CE2 4.17Å; E719-Y730 WeakPolarHBondContact O-CD2 3.46Å; E719-A740 HydrophobicContact CG-CB 3.78Å; E719-A740 WeakPolarHBondContact OE1-CB 3.35Å; E719-A740 PolarHBondContact OE1-N 3.04Å
720	R	97.3	Very high	97	Very high	62 Å²	62	34.6 Å²	34.6	23%	0.234	16%	0.164	C	C	.	.	H	α-helix	trans	-66.8	-31.5	173.7	-63.4	-66.6	153.8	-135.1	-14	112.4	F716 L718 E724 Y730 F837	F716-R720 HydrophobicContact CD1-CG 3.98Å; F716-R720 HydrophobicContact CE1-CG 3.66Å; F716-R720 HydrophobicContact CE2-CG 4.45Å; F716-R720 HydrophobicContact CZ-CG 3.92Å; F716-R720 VanDerWaalsContact O-CG 3.27Å; F716-R720 WeakPolarHBondContact O-CG 3.1Å; F716-R720 PolarHBondContact O-N 2.83Å; L718-R720 PolarHBondContact O-N 2.83Å; R720-E724 PolarHBondContact O-N 2.86Å; R720-Y730 PolarHBondContact NH1-OH 3.15Å; R720-Y730 VanDerWaalsContact NH1-OH 3.09Å; R720-F837 HydrophobicContact CB-CD1 3.82Å; R720-F837 HydrophobicContact CB-CD2 3.69Å; R720-F837 HydrophobicContact CB-CE1 3.77Å; R720-F837 HydrophobicContact CB-CE2 3.62Å; R720-F837 HydrophobicContact CB-CG 3.79Å; R720-F837 HydrophobicContact CB-CZ 3.68Å; R720-F837 HydrophobicContact CG-CD1 4.15Å; R720-F837 HydrophobicContact CG-CE1 4.41Å; R720-F837 HydrophobicContact CG-CG 4.27Å
721	L	97.4	Very high	97.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-70.8	-40	171.8	-70.6	163.9	0	0	0	112	Q717 L718 E719 E724 Y725 F777 L781 I829 K833 L834 F837	Q717-L721 WeakPolarHBondContact O-CB 3.5Å; Q717-L721 WeakPolarHBondContact O-CD1 3.27Å; Q717-L721 WeakPolarHBondContact O-CG 3.49Å; Q717-L721 PolarHBondContact O-N 3.29Å; L718-L721 CarbonylContact O-C 3.55Å; L718-L721 WeakPolarHBondContact O-CB 3.38Å; L718-L721 PolarHBondContact O-N 3.07Å; L718-L721 VanDerWaalsContact O-N 3.14Å; E719-L721 VanDerWaalsContact C-N 3.3Å; E719-L721 PolarHBondContact O-N 3.24Å; L721-E724 PolarHBondContact O-N 3.04Å; L721-Y725 HydrophobicContact CB-CD2 4.41Å; L721-Y725 HydrophobicContact CD2-CD2 4.15Å; L721-Y725 HydrophobicContact CD2-CE2 3.73Å; L721-Y725 WeakPolarHBondContact O-CB 3.5Å; L721-Y725 VanDerWaalsContact O-CD2 3.31Å; L721-Y725 WeakPolarHBondContact O-CD2 3.41Å; L721-Y725 PolarHBondContact O-N 3.26Å; L721-F777 HydrophobicContact CD1-CB 4.05Å; L721-F777 HydrophobicContact CD1-CD1 3.65Å; L721-F777 HydrophobicContact CD1-CE1 4.38Å; L721-F777 HydrophobicContact CD1-CG 4.02Å; L721-L781 HydrophobicContact CB-CD1 3.85Å; L721-L781 HydrophobicContact CB-CD2 3.95Å; L721-L781 HydrophobicContact CB-CG 4.35Å; L721-L781 HydrophobicContact CD1-CD1 4.37Å; L721-L781 HydrophobicContact CD2-CD1 4.48Å; L721-L781 HydrophobicContact CG-CD1 4.47Å; L721-I829 HydrophobicContact CD1-CD1 4.16Å; L721-I829 HydrophobicContact CD1-CG2 4.36Å; L721-I829 HydrophobicContact CD2-CG2 4.04Å; L721-K833 HydrophobicContact CD2-CD 3.74Å; L721-L834 HydrophobicContact CD1-CD2 3.94Å; L721-F837 HydrophobicContact CD2-CE2 3.94Å; L721-F837 HydrophobicContact CG-CD2 4.35Å; L721-F837 HydrophobicContact CG-CE2 3.95Å
722	M	97.6	Very high	97.1	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-45	172.8	-68.6	172	69.4	0	0	110.9	L718 E719 E724 Y725 I726 L729 Y730 F733 Y743 L781 L784	L718-M722 HydrophobicContact CG-SD 4.32Å; L718-M722 WeakPolarHBondContact O-CG 3.46Å; L718-M722 PolarHBondContact O-N 3.38Å; E719-M722 PolarHBondContact O-N 2.84Å; M722-E724 PolarHBondContact O-N 3.43Å; M722-E724 VanDerWaalsContact O-N 3.16Å; M722-Y725 PolarHBondContact O-N 2.97Å; M722-I726 CarbonylContact O-C 3.56Å; M722-I726 WeakPolarHBondContact O-CA 3.23Å; M722-I726 PolarHBondContact O-N 2.82Å; M722-L729 HydrophobicContact CE-CD2 4.31Å; M722-L729 HydrophobicContact CE-CG 4.33Å; M722-Y730 HydrophobicContact CB-CD2 4.21Å; M722-F733 HydrophobicContact CE-CD2 3.69Å; M722-F733 HydrophobicContact CE-CE2 3.83Å; M722-Y743 PolarHBondContact SD-OH 2.97Å; M722-Y743 VanDerWaalsContact SD-OH 3.36Å; M722-L781 HydrophobicContact CG-CD2 3.96Å; M722-L784 HydrophobicContact CE-CD1 4.03Å; M722-L784 HydrophobicContact CE-CD2 4.22Å; M722-L784 HydrophobicContact CG-CD1 3.9Å; M722-L784 HydrophobicContact SD-CD1 3.64Å
723	Q	96.9	Very high	97.2	Very high	85 Å²	85	34.3 Å²	34.3	40%	0.397	16%	0.164	S	C	.	.	H	α-helix	trans	-56.8	-30.3	176.2	-171.1	177.9	27.4	0	0	113.1	E719 Y730	E719-Q723 WeakPolarHBondContact O-CB 3.35Å; E719-Q723 PolarHBondContact O-N 3.29Å; Q723-Y730 HydrophobicContact CB-CD1 3.77Å; Q723-Y730 HydrophobicContact CB-CD2 4.04Å; Q723-Y730 HydrophobicContact CB-CE1 3.82Å; Q723-Y730 HydrophobicContact CB-CE2 4.12Å; Q723-Y730 HydrophobicContact CB-CG 3.87Å; Q723-Y730 HydrophobicContact CG-CD1 3.73Å; Q723-Y730 HydrophobicContact CG-CE1 3.57Å; Q723-Y730 HydrophobicContact CG-CG 4.35Å
724	E	95.6	Very high	97.2	Very high	104 Å²	104	39 Å²	39	49%	0.486	19%	0.188	S	C	.	.	H	α-helix	trans	-92.9	-35	-179.8	-160.9	-173.8	154.1	0	0	113.8	R720 L721 M722 K833	R720-E724 PolarHBondContact O-N 2.86Å; L721-E724 PolarHBondContact O-N 3.04Å; M722-E724 PolarHBondContact O-N 3.43Å; M722-E724 VanDerWaalsContact O-N 3.16Å; E724-K833 IonicContact OE1-NZ 2.77Å; E724-K833 PolarHBondContact OE1-NZ 2.81Å; E724-K833 WeakPolarHBondContact OE2-CD 3.39Å; E724-K833 WeakPolarHBondContact OE2-CE 3.47Å; E724-K833 IonicContact OE2-NZ 2.66Å; E724-K833 PolarHBondContact OE2-NZ 3.05Å
725	Y	94.8	Very high	97.1	Very high	78 Å²	78	44.6 Å²	44.6	31%	0.306	22%	0.219	S	C	.	.	H	α-helix	trans	-106.4	-20.4	-172.8	-68	-69.5	0	0	0	115.1	L721 M722 L781 M827 K828 K833	L721-Y725 HydrophobicContact CB-CD2 4.41Å; L721-Y725 HydrophobicContact CD2-CD2 4.15Å; L721-Y725 HydrophobicContact CD2-CE2 3.73Å; L721-Y725 WeakPolarHBondContact O-CB 3.5Å; L721-Y725 VanDerWaalsContact O-CD2 3.31Å; L721-Y725 WeakPolarHBondContact O-CD2 3.41Å; L721-Y725 PolarHBondContact O-N 3.26Å; M722-Y725 PolarHBondContact O-N 2.97Å; Y725-L781 HydrophobicContact CD2-CD1 3.93Å; Y725-L781 HydrophobicContact CE2-CD1 4.49Å; Y725-M827 HydrophobicContact CG-CE 4.3Å; Y725-K828 PolarHBondContact OH-O 3.13Å; Y725-K833 PolarHBondContact OH-NZ 3.5Å
726	I	96.4	Very high	96.9	Very high	5 Å²	5	46 Å²	46	3%	0.026	23%	0.229	C	C	.	.	S	Bend	trans	-144.1	56	-178.4	-32.6	172.4	0	0	0	109.7	M722 D728 L729 Y730 L781 L784 K785 K788	M722-I726 CarbonylContact O-C 3.56Å; M722-I726 WeakPolarHBondContact O-CA 3.23Å; M722-I726 PolarHBondContact O-N 2.82Å; I726-D728 VanDerWaalsContact C-N 3.28Å; I726-D728 PolarHBondContact O-N 3.15Å; I726-L729 HydrophobicContact CB-CB 4.32Å; I726-L729 HydrophobicContact CG2-CB 3.56Å; I726-L729 HydrophobicContact CG2-CD2 4.12Å; I726-L729 PolarHBondContact O-N 2.65Å; I726-Y730 PolarHBondContact O-N 3.13Å; I726-L781 HydrophobicContact CD1-CD2 4.44Å; I726-L784 HydrophobicContact CD1-CB 3.74Å; I726-K785 HydrophobicContact CD1-CB 3.83Å; I726-K785 HydrophobicContact CG1-CB 4.42Å; I726-K788 HydrophobicContact CG2-CD 4.16Å; I726-K788 HydrophobicContact CG2-CG 3.94Å
727	P	97.4	Very high	96.7	Very high	64 Å²	64	47 Å²	47	42%	0.416	25%	0.246	S	C	.	.	H	α-helix	trans	-63.7	-28.9	-165.8	24.9	-35.6	0	0	0	114.2	N731	P727-N731 WeakPolarHBondContact O-CB 3.31Å; P727-N731 PolarHBondContact O-N 2.93Å; P727-N731 PolarHBondContact O-ND2 2.95Å
728	D	97.1	Very high	96.5	Very high	69 Å²	69	47.1 Å²	47.1	37%	0.369	25%	0.247	S	C	.	.	H	α-helix	trans	-69.6	-45.4	176.5	42.3	11.2	0	0	0	111.9	I726 N731 H732 K788	I726-D728 VanDerWaalsContact C-N 3.28Å; I726-D728 PolarHBondContact O-N 3.15Å; D728-N731 PolarHBondContact O-N 3.36Å; D728-H732 PolarHBondContact O-N 2.86Å; D728-K788 VanDerWaalsContact OD1-CE 3.24Å; D728-K788 WeakPolarHBondContact OD1-CE 3.31Å; D728-K788 IonicContact OD1-NZ 2.6Å; D728-K788 WeakPolarHBondContact OD2-CE 3.3Å; D728-K788 IonicContact OD2-NZ 2.7Å; D728-K788 PolarHBondContact OD2-NZ 3.44Å
729	L	97.7	Very high	96.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-39.5	173.3	-173	65.3	0	0	0	112.1	M722 I726 H732 F733 L784 K788 L791 L792	M722-L729 HydrophobicContact CE-CD2 4.31Å; M722-L729 HydrophobicContact CE-CG 4.33Å; I726-L729 HydrophobicContact CB-CB 4.32Å; I726-L729 HydrophobicContact CG2-CB 3.56Å; I726-L729 HydrophobicContact CG2-CD2 4.12Å; I726-L729 PolarHBondContact O-N 2.65Å; L729-H732 PolarHBondContact O-N 2.68Å; L729-F733 HydrophobicContact CD1-CD1 4.05Å; L729-F733 HydrophobicContact CD1-CE1 3.51Å; L729-F733 HydrophobicContact CD1-CZ 3.95Å; L729-F733 HydrophobicContact CD2-CZ 4.49Å; L729-F733 HydrophobicContact CG-CD1 4.4Å; L729-F733 HydrophobicContact CG-CE1 4.07Å; L729-F733 HydrophobicContact CG-CZ 4.19Å; L729-F733 PolarHBondContact O-N 2.65Å; L729-L784 HydrophobicContact CD2-CB 4.06Å; L729-L784 HydrophobicContact CD2-CD2 4.13Å; L729-L784 WeakPolarHBondContact CD2-O 3.41Å; L729-K788 HydrophobicContact CB-CG 4.3Å; L729-L791 HydrophobicContact CD1-CB 3.66Å; L729-L791 HydrophobicContact CD1-CD1 4.37Å; L729-L791 HydrophobicContact CD2-CD1 4.33Å; L729-L792 HydrophobicContact CD1-CD2 4.29Å; L729-L792 HydrophobicContact CD1-CG 4.35Å
730	Y	98	Very high	96.1	Very high	17 Å²	17	50 Å²	50	7%	0.067	26%	0.26	C	S	.	.	H	α-helix	trans	-59	-47.8	173.6	173.8	-100.5	0	0	0	112	E719 R720 M722 Q723 I726 H732 F733 L734	E719-Y730 HydrophobicContact CB-CE2 4.17Å; E719-Y730 WeakPolarHBondContact O-CD2 3.46Å; R720-Y730 PolarHBondContact NH1-OH 3.15Å; R720-Y730 VanDerWaalsContact NH1-OH 3.09Å; M722-Y730 HydrophobicContact CB-CD2 4.21Å; Q723-Y730 HydrophobicContact CB-CD1 3.77Å; Q723-Y730 HydrophobicContact CB-CD2 4.04Å; Q723-Y730 HydrophobicContact CB-CE1 3.82Å; Q723-Y730 HydrophobicContact CB-CE2 4.12Å; Q723-Y730 HydrophobicContact CB-CG 3.87Å; Q723-Y730 HydrophobicContact CG-CD1 3.73Å; Q723-Y730 HydrophobicContact CG-CE1 3.57Å; Q723-Y730 HydrophobicContact CG-CG 4.35Å; I726-Y730 PolarHBondContact O-N 3.13Å; Y730-H732 VanDerWaalsContact C-N 3.33Å; Y730-H732 PolarHBondContact O-N 2.85Å; Y730-F733 PolarHBondContact O-N 3.18Å; Y730-L734 HydrophobicContact CD1-CD1 4.11Å; Y730-L734 HydrophobicContact CE1-CD1 3.46Å; Y730-L734 VanDerWaalsContact CE1-CD1 3.46Å; Y730-L734 HydrophobicContact CE1-CG 4.21Å; Y730-L734 HydrophobicContact CE2-CD1 4.47Å; Y730-L734 HydrophobicContact CE2-CG 4.46Å; Y730-L734 PolarHBondContact O-N 2.77Å
731	N	97.5	Very high	95.9	Very high	82 Å²	82	50.4 Å²	50.4	44%	0.439	26%	0.264	S	S	.	.	H	α-helix	trans	-65.3	-36	177.7	-69.3	-27.9	0	0	0	112.1	P727 D728 L734 N735	P727-N731 WeakPolarHBondContact O-CB 3.31Å; P727-N731 PolarHBondContact O-N 2.93Å; P727-N731 PolarHBondContact O-ND2 2.95Å; D728-N731 PolarHBondContact O-N 3.36Å; N731-L734 PolarHBondContact O-N 3.46Å; N731-N735 PolarHBondContact O-N 3.21Å; N731-N735 PolarHBondContact O-ND2 3.43Å
732	H	97.3	Very high	95.6	Very high	40 Å²	40	53.5 Å²	53.5	19%	0.185	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-47.7	173.4	-174.1	61.6	0	0	0	111.7	D728 L729 Y730 L734 N735 V736 L791 L792 T794	D728-H732 PolarHBondContact O-N 2.86Å; L729-H732 PolarHBondContact O-N 2.68Å; Y730-H732 VanDerWaalsContact C-N 3.33Å; Y730-H732 PolarHBondContact O-N 2.85Å; H732-L734 VanDerWaalsContact C-N 3.33Å; H732-L734 PolarHBondContact O-N 3.43Å; H732-N735 PolarHBondContact O-N 2.95Å; H732-N735 VanDerWaalsContact O-N 3.09Å; H732-V736 WeakPolarHBondContact O-CB 3.48Å; H732-V736 WeakPolarHBondContact O-CG2 3.22Å; H732-V736 PolarHBondContact O-N 3.27Å; H732-L791 PolarHBondContact CD2-O 3.44Å; H732-L791 PolarHBondContact NE2-O 2.63Å; H732-L792 HydrophobicContact CB-CD2 3.61Å; H732-T794 PolarHBondContact CE1-O 2.94Å; H732-T794 PolarHBondContact NE2-O 3.13Å
733	F	97.4	Very high	95.4	Very high	7 Å²	7	54.3 Å²	54.3	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-38.5	178.9	-78.3	16.5	0	0	0	112.1	M722 L729 Y730 V736 G737 L738 Y743 L784 L791 F803	M722-F733 HydrophobicContact CE-CD2 3.69Å; M722-F733 HydrophobicContact CE-CE2 3.83Å; L729-F733 HydrophobicContact CD1-CD1 4.05Å; L729-F733 HydrophobicContact CD1-CE1 3.51Å; L729-F733 HydrophobicContact CD1-CZ 3.95Å; L729-F733 HydrophobicContact CD2-CZ 4.49Å; L729-F733 HydrophobicContact CG-CD1 4.4Å; L729-F733 HydrophobicContact CG-CE1 4.07Å; L729-F733 HydrophobicContact CG-CZ 4.19Å; L729-F733 PolarHBondContact O-N 2.65Å; Y730-F733 PolarHBondContact O-N 3.18Å; F733-V736 PolarHBondContact O-N 2.83Å; F733-G737 PolarHBondContact O-N 3.21Å; F733-L738 HydrophobicContact CB-CB 4.35Å; F733-L738 HydrophobicContact CD1-CD2 3.99Å; F733-L738 HydrophobicContact CD2-CD2 4Å; F733-L738 HydrophobicContact CD2-CG 4.35Å; F733-L738 HydrophobicContact CE1-CD2 3.85Å; F733-L738 HydrophobicContact CE2-CD2 3.87Å; F733-L738 HydrophobicContact CG-CB 4.33Å; F733-L738 HydrophobicContact CG-CD2 4.07Å; F733-L738 HydrophobicContact CG-CG 4.48Å; F733-L738 HydrophobicContact CZ-CD2 3.8Å; F733-L738 PolarHBondContact O-N 2.67Å; F733-Y743 HydrophobicContact CD2-CE1 4.01Å; F733-Y743 AromaticContact CE2-CE1 3.72Å; F733-Y743 HydrophobicContact CE2-CE1 3.72Å; F733-Y743 AromaticContact CE2-CZ 3.82Å; F733-L784 HydrophobicContact CE2-CD2 4.17Å; F733-L784 HydrophobicContact CZ-CD2 4.43Å; F733-L791 HydrophobicContact CE1-CB 4.35Å; F733-L791 HydrophobicContact CZ-CD1 4.2Å; F733-L791 HydrophobicContact CZ-CD2 4.35Å; F733-F803 HydrophobicContact CE2-CE2 4.09Å; F733-F803 HydrophobicContact CE2-CZ 4.02Å; F733-F803 AromaticContact CZ-CE2 3.8Å; F733-F803 HydrophobicContact CZ-CE2 3.8Å; F733-F803 AromaticContact CZ-CZ 3.74Å; F733-F803 HydrophobicContact CZ-CZ 3.74Å
734	L	95.7	Very high	95.4	Very high	99 Å²	99	50.3 Å²	50.3	52%	0.518	26%	0.264	S	S	.	.	H	α-helix	trans	-61.6	-43.1	170.7	-72.1	-177.8	0	0	0	112.9	Y730 N731 H732 V736 G737	Y730-L734 HydrophobicContact CD1-CD1 4.11Å; Y730-L734 HydrophobicContact CE1-CD1 3.46Å; Y730-L734 VanDerWaalsContact CE1-CD1 3.46Å; Y730-L734 HydrophobicContact CE1-CG 4.21Å; Y730-L734 HydrophobicContact CE2-CD1 4.47Å; Y730-L734 HydrophobicContact CE2-CG 4.46Å; Y730-L734 PolarHBondContact O-N 2.77Å; N731-L734 PolarHBondContact O-N 3.46Å; H732-L734 VanDerWaalsContact C-N 3.33Å; H732-L734 PolarHBondContact O-N 3.43Å; L734-V736 VanDerWaalsContact C-N 3.3Å; L734-V736 PolarHBondContact O-N 2.92Å; L734-G737 PolarHBondContact O-N 3.19Å
735	N	95.9	Very high	95.3	Very high	141 Å²	141	47.1 Å²	47.1	75%	0.754	25%	0.254	S	S	*	.	H	α-helix	trans	-67.5	-30.7	179.4	-68.4	-25.7	0	0	0	112.7	N731 H732	N731-N735 PolarHBondContact O-N 3.21Å; N731-N735 PolarHBondContact O-ND2 3.43Å; H732-N735 PolarHBondContact O-N 2.95Å; H732-N735 VanDerWaalsContact O-N 3.09Å
736	V	94	Very high	95.2	Very high	41 Å²	41	48 Å²	48	25%	0.248	26%	0.261	C	S	.	.	H	α-helix	trans	-89.2	-14.8	-179.2	173.1	0	0	0	0	112.4	H732 F733 L734 L738 F796	H732-V736 WeakPolarHBondContact O-CB 3.48Å; H732-V736 WeakPolarHBondContact O-CG2 3.22Å; H732-V736 PolarHBondContact O-N 3.27Å; F733-V736 PolarHBondContact O-N 2.83Å; L734-V736 VanDerWaalsContact C-N 3.3Å; L734-V736 PolarHBondContact O-N 2.92Å; V736-L738 HydrophobicContact CG1-CB 4.48Å; V736-F796 VanDerWaalsContact CG1-CA 3.48Å; V736-F796 HydrophobicContact CG1-CB 3.71Å; V736-F796 HydrophobicContact CG1-CD2 4.34Å; V736-F796 VanDerWaalsContact CG1-N 3.31Å
737	G	93.6	Very high	95.2	Very high	45 Å²	45	48.3 Å²	48.3	46%	0.464	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	27.1	-177.5	0	0	0	0	0	114.2	F733 L734	F733-G737 PolarHBondContact O-N 3.21Å; L734-G737 PolarHBondContact O-N 3.19Å
738	L	93.6	Very high	95.1	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.042	24%	0.242	C	C	.	.			trans	-98.7	104.1	-176.4	-176.2	67	0	0	0	111.6	F733 V736 M742 Y743 F796 A799 L800 F803	F733-L738 HydrophobicContact CB-CB 4.35Å; F733-L738 HydrophobicContact CD1-CD2 3.99Å; F733-L738 HydrophobicContact CD2-CD2 4Å; F733-L738 HydrophobicContact CD2-CG 4.35Å; F733-L738 HydrophobicContact CE1-CD2 3.85Å; F733-L738 HydrophobicContact CE2-CD2 3.87Å; F733-L738 HydrophobicContact CG-CB 4.33Å; F733-L738 HydrophobicContact CG-CD2 4.07Å; F733-L738 HydrophobicContact CG-CG 4.48Å; F733-L738 HydrophobicContact CZ-CD2 3.8Å; F733-L738 PolarHBondContact O-N 2.67Å; V736-L738 HydrophobicContact CG1-CB 4.48Å; L738-M742 HydrophobicContact CD1-CB 4.17Å; L738-M742 HydrophobicContact CD1-SD 3.92Å; L738-Y743 HydrophobicContact CD1-CD1 4.34Å; L738-Y743 HydrophobicContact CD2-CD1 4.41Å; L738-Y743 HydrophobicContact CG-CD1 4.19Å; L738-Y743 HydrophobicContact CG-CE1 4.27Å; L738-F796 HydrophobicContact CB-CD2 4.43Å; L738-F796 HydrophobicContact CD1-CD2 4.34Å; L738-F796 HydrophobicContact CD1-CE2 4.14Å; L738-A799 HydrophobicContact CD2-CB 3.56Å; L738-L800 HydrophobicContact CD1-CD2 3.78Å; L738-L800 HydrophobicContact CD1-CG 4.09Å; L738-F803 HydrophobicContact CD2-CE2 4.24Å
739	E	92.6	Very high	95	Very high	101 Å²	101	43.4 Å²	43.4	47%	0.472	23%	0.231	S	C	.	.			trans	-87.5	154.6	179.1	-67.1	-179.3	-151.3	0	0	113.1	H741 M742 Y743	E739-H741 WeakPolarHBondContact CB-ND1 3.26Å; E739-H741 PolarHBondContact O-N 3.38Å; E739-H741 VanDerWaalsContact O-N 3.16Å; E739-H741 IonicContact OE2-CE1 2.64Å; E739-H741 PolarHBondContact OE2-CE1 3.29Å; E739-H741 IonicContact OE2-ND1 2.65Å; E739-H741 PolarHBondContact OE2-ND1 3.02Å; E739-M742 HydrophobicContact CB-CE 4.17Å; E739-M742 HydrophobicContact CB-CG 4.42Å; E739-M742 HydrophobicContact CG-CE 4.33Å; E739-M742 WeakPolarHBondContact O-CB 3.17Å; E739-M742 PolarHBondContact O-N 3.38Å; E739-M742 VanDerWaalsContact O-N 3.09Å; E739-Y743 WeakPolarHBondContact O-CD1 3.49Å; E739-Y743 WeakPolarHBondContact O-CE1 3.49Å
740	A	95.1	Very high	94.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-28.3	179.3	0	0	0	0	0	114	F715 L718 E719 M742 Y743 A744	F715-A740 HydrophobicContact CB-CB 3.99Å; F715-A740 HydrophobicContact CD1-CB 4.21Å; F715-A740 HydrophobicContact CG-CB 4.33Å; L718-A740 HydrophobicContact CD2-CB 4.4Å; E719-A740 HydrophobicContact CG-CB 3.78Å; E719-A740 WeakPolarHBondContact OE1-CB 3.35Å; E719-A740 PolarHBondContact OE1-N 3.04Å; A740-M742 PolarHBondContact O-N 2.93Å; A740-Y743 PolarHBondContact O-N 3.16Å; A740-A744 VanDerWaalsContact O-CB 3.23Å; A740-A744 WeakPolarHBondContact O-CB 3.34Å; A740-A744 PolarHBondContact O-N 3.26Å
741	H	92.1	Very high	94.9	Very high	70 Å²	70	42.9 Å²	42.9	32%	0.324	23%	0.23	S	C	.	.	H	α-helix	trans	-61.3	-30.1	177.9	80.7	-107	0	0	0	112.6	F715 E739 Y743 S745	F715-H741 HydrophobicContact CD2-CB 3.6Å; F715-H741 HydrophobicContact CE2-CB 3.48Å; F715-H741 VanDerWaalsContact CE2-CB 3.48Å; F715-H741 HydrophobicContact CG-CB 4.33Å; F715-H741 HydrophobicContact CZ-CB 4.12Å; E739-H741 WeakPolarHBondContact CB-ND1 3.26Å; E739-H741 PolarHBondContact O-N 3.38Å; E739-H741 VanDerWaalsContact O-N 3.16Å; E739-H741 IonicContact OE2-CE1 2.64Å; E739-H741 PolarHBondContact OE2-CE1 3.29Å; E739-H741 IonicContact OE2-ND1 2.65Å; E739-H741 PolarHBondContact OE2-ND1 3.02Å; H741-Y743 PolarHBondContact O-N 2.92Å; H741-S745 PolarHBondContact O-OG 3.45Å
742	M	91.8	Very high	94.8	Very high	66 Å²	66	39 Å²	39	33%	0.325	21%	0.209	S	C	.	.	H	α-helix	trans	-73.8	-25.7	-173	-56.5	-179.8	-178.2	0	0	113.3	L738 E739 A740 F796 L800	L738-M742 HydrophobicContact CD1-CB 4.17Å; L738-M742 HydrophobicContact CD1-SD 3.92Å; E739-M742 HydrophobicContact CB-CE 4.17Å; E739-M742 HydrophobicContact CB-CG 4.42Å; E739-M742 HydrophobicContact CG-CE 4.33Å; E739-M742 WeakPolarHBondContact O-CB 3.17Å; E739-M742 PolarHBondContact O-N 3.38Å; E739-M742 VanDerWaalsContact O-N 3.09Å; A740-M742 PolarHBondContact O-N 2.93Å; M742-F796 HydrophobicContact CE-CE2 4.29Å; M742-F796 HydrophobicContact CE-CZ 4.48Å; M742-F796 HydrophobicContact SD-CE2 3.6Å; M742-F796 VanDerWaalsContact SD-CE2 3.6Å; M742-F796 HydrophobicContact SD-CZ 3.75Å; M742-L800 HydrophobicContact CB-CD2 4.12Å
743	Y	93.7	Very high	94.7	Very high	19 Å²	19	37.1 Å²	37.1	8%	0.075	20%	0.2	C	C	.	.	H	α-helix	trans	-123.7	-33	-178.4	62.7	-94.9	0	0	0	114.2	M722 F733 L738 E739 A740 H741 W747 L784 F803	M722-Y743 PolarHBondContact SD-OH 2.97Å; M722-Y743 VanDerWaalsContact SD-OH 3.36Å; F733-Y743 HydrophobicContact CD2-CE1 4.01Å; F733-Y743 AromaticContact CE2-CE1 3.72Å; F733-Y743 HydrophobicContact CE2-CE1 3.72Å; F733-Y743 AromaticContact CE2-CZ 3.82Å; L738-Y743 HydrophobicContact CD1-CD1 4.34Å; L738-Y743 HydrophobicContact CD2-CD1 4.41Å; L738-Y743 HydrophobicContact CG-CD1 4.19Å; L738-Y743 HydrophobicContact CG-CE1 4.27Å; E739-Y743 WeakPolarHBondContact O-CD1 3.49Å; E739-Y743 WeakPolarHBondContact O-CE1 3.49Å; A740-Y743 PolarHBondContact O-N 3.16Å; H741-Y743 PolarHBondContact O-N 2.92Å; Y743-W747 HydrophobicContact CD2-CE3 4.49Å; Y743-W747 AromaticContact CD2-CH2 3.52Å; Y743-W747 HydrophobicContact CD2-CH2 3.52Å; Y743-W747 AromaticContact CD2-CZ2 3.89Å; Y743-W747 HydrophobicContact CD2-CZ2 3.89Å; Y743-W747 AromaticContact CD2-CZ3 3.86Å; Y743-W747 HydrophobicContact CD2-CZ3 3.86Å; Y743-W747 AromaticContact CE2-CH2 3.8Å; Y743-W747 HydrophobicContact CE2-CH2 3.8Å; Y743-W747 AromaticContact CE2-CZ3 3.81Å; Y743-W747 HydrophobicContact CE2-CZ3 3.81Å; Y743-L784 HydrophobicContact CE2-CD2 4.15Å; Y743-F803 HydrophobicContact CD1-CD2 4.28Å; Y743-F803 AromaticContact CD1-CE2 3.87Å; Y743-F803 HydrophobicContact CD1-CE2 3.87Å; Y743-F803 HydrophobicContact CD1-CZ 4.49Å; Y743-F803 HydrophobicContact CD2-CD2 4.35Å; Y743-F803 HydrophobicContact CD2-CE1 4.28Å; Y743-F803 HydrophobicContact CD2-CE2 4.01Å; Y743-F803 AromaticContact CD2-CZ 3.97Å; Y743-F803 HydrophobicContact CD2-CZ 3.97Å; Y743-F803 HydrophobicContact CE1-CE2 4.34Å; Y743-F803 HydrophobicContact CE2-CE2 4.48Å; Y743-F803 HydrophobicContact CE2-CZ 4.19Å; Y743-F803 AromaticContact CG-CD2 3.84Å; Y743-F803 HydrophobicContact CG-CD2 3.84Å; Y743-F803 AromaticContact CG-CE2 3.69Å; Y743-F803 HydrophobicContact CG-CE2 3.69Å; Y743-F803 HydrophobicContact CG-CG 4.41Å; Y743-F803 HydrophobicContact CG-CZ 4.14Å
744	A	95.4	Very high	94.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-88.2	-9.2	-173.2	0	0	0	0	0	114.5	F715 L718 A740 Q746 W747 F748	F715-A744 HydrophobicContact CD1-CB 4.34Å; F715-A744 HydrophobicContact CE1-CB 4.17Å; L718-A744 HydrophobicContact CD2-CB 3.9Å; A740-A744 VanDerWaalsContact O-CB 3.23Å; A740-A744 WeakPolarHBondContact O-CB 3.34Å; A740-A744 PolarHBondContact O-N 3.26Å; A744-Q746 VanDerWaalsContact C-N 3.33Å; A744-Q746 PolarHBondContact O-N 3.22Å; A744-W747 HydrophobicContact CB-CD2 4.18Å; A744-W747 HydrophobicContact CB-CE3 3.81Å; A744-W747 HydrophobicContact CB-CZ3 4.33Å; A744-W747 WeakPolarHBondContact O-CA 3.44Å; A744-W747 VanDerWaalsContact O-CB 3.28Å; A744-W747 WeakPolarHBondContact O-CB 3.49Å; A744-W747 PolarHBondContact O-N 3.28Å; A744-F748 HydrophobicContact CB-CD2 4.22Å; A744-F748 HydrophobicContact CB-CE2 4.07Å; A744-F748 WeakPolarHBondContact O-CD2 3.41Å; A744-F748 PolarHBondContact O-N 3.2Å
745	S	93.6	Very high	94.1	Very high	38 Å²	38	36.3 Å²	36.3	27%	0.266	19%	0.194	S	C	.	.	H	α-helix	trans	-50.8	-47.5	-177.9	-72.8	0	0	0	0	113.5	F715 H741 W747 L749	F715-S745 VanDerWaalsContact CZ-OG 3.27Å; F715-S745 WeakPolarHBondContact CZ-OG 3.38Å; H741-S745 PolarHBondContact O-OG 3.45Å; S745-W747 VanDerWaalsContact C-N 3.34Å; S745-W747 PolarHBondContact O-N 3.28Å; S745-L749 WeakPolarHBondContact O-CB 3.34Å; S745-L749 WeakPolarHBondContact O-CG 3.28Å; S745-L749 PolarHBondContact O-N 3.03Å
746	Q	92.8	Very high	94	Very high	97 Å²	97	29.8 Å²	29.8	45%	0.453	16%	0.159	S	C	.	.	H	α-helix	trans	-73.8	-23.9	178.8	-67.5	-178.3	2.2	0	0	113	A744 T750	A744-Q746 VanDerWaalsContact C-N 3.33Å; A744-Q746 PolarHBondContact O-N 3.22Å; Q746-T750 WeakPolarHBondContact O-CB 3.49Å; Q746-T750 PolarHBondContact O-N 2.65Å; Q746-T750 VanDerWaalsContact O-N 3.08Å; Q746-T750 PolarHBondContact O-OG1 3.1Å
747	W	96.6	Very high	94	Very high	11 Å²	11	27.9 Å²	27.9	4%	0.042	15%	0.147	C	C	.	.	H	α-helix	trans	-66.3	-43.6	178.2	-58.3	-3.4	0	0	0	110.9	Y743 A744 S745 L751 F752 F756 A780 L784 F803	Y743-W747 HydrophobicContact CD2-CE3 4.49Å; Y743-W747 AromaticContact CD2-CH2 3.52Å; Y743-W747 HydrophobicContact CD2-CH2 3.52Å; Y743-W747 AromaticContact CD2-CZ2 3.89Å; Y743-W747 HydrophobicContact CD2-CZ2 3.89Å; Y743-W747 AromaticContact CD2-CZ3 3.86Å; Y743-W747 HydrophobicContact CD2-CZ3 3.86Å; Y743-W747 AromaticContact CE2-CH2 3.8Å; Y743-W747 HydrophobicContact CE2-CH2 3.8Å; Y743-W747 AromaticContact CE2-CZ3 3.81Å; Y743-W747 HydrophobicContact CE2-CZ3 3.81Å; A744-W747 HydrophobicContact CB-CD2 4.18Å; A744-W747 HydrophobicContact CB-CE3 3.81Å; A744-W747 HydrophobicContact CB-CZ3 4.33Å; A744-W747 WeakPolarHBondContact O-CA 3.44Å; A744-W747 VanDerWaalsContact O-CB 3.28Å; A744-W747 WeakPolarHBondContact O-CB 3.49Å; A744-W747 PolarHBondContact O-N 3.28Å; S745-W747 VanDerWaalsContact C-N 3.34Å; S745-W747 PolarHBondContact O-N 3.28Å; W747-L751 CarbonylContact O-C 3.6Å; W747-L751 VanDerWaalsContact O-CA 3.25Å; W747-L751 WeakPolarHBondContact O-CA 3.04Å; W747-L751 PolarHBondContact O-N 3.25Å; W747-F752 HydrophobicContact CB-CD1 3.78Å; W747-F752 HydrophobicContact CB-CE1 3.41Å; W747-F752 VanDerWaalsContact CB-CE1 3.41Å; W747-F752 HydrophobicContact CB-CE2 4.38Å; W747-F752 HydrophobicContact CB-CG 4.4Å; W747-F752 HydrophobicContact CB-CZ 3.76Å; W747-F752 AromaticContact CD1-CD1 3.81Å; W747-F752 AromaticContact CD1-CE1 3.88Å; W747-F752 HydrophobicContact CD2-CD1 4.32Å; W747-F752 AromaticContact CD2-CE1 3.61Å; W747-F752 HydrophobicContact CD2-CE1 3.61Å; W747-F752 HydrophobicContact CD2-CZ 4.39Å; W747-F752 HydrophobicContact CE3-CE1 4.02Å; W747-F752 HydrophobicContact CE3-CZ 4.45Å; W747-F752 AromaticContact CG-CD1 3.69Å; W747-F752 HydrophobicContact CG-CD1 3.69Å; W747-F752 AromaticContact CG-CE1 3.34Å; W747-F752 HydrophobicContact CG-CE1 3.34Å; W747-F752 HydrophobicContact CG-CZ 4.13Å; W747-F752 PolarHBondContact O-N 3.46Å; W747-F752 VanDerWaalsContact O-N 3.13Å; W747-F756 AromaticContact NE1-CE2 3.84Å; W747-A780 HydrophobicContact CE3-CB 3.76Å; W747-A780 HydrophobicContact CZ3-CB 3.94Å; W747-L784 HydrophobicContact CH2-CD2 4.39Å; W747-L784 HydrophobicContact CH2-CG 4.37Å; W747-L784 HydrophobicContact CZ3-CD1 4.41Å; W747-L784 HydrophobicContact CZ3-CG 4.34Å; W747-F803 HydrophobicContact CH2-CD1 4.02Å; W747-F803 AromaticContact CH2-CE1 3.73Å; W747-F803 HydrophobicContact CH2-CE1 3.73Å; W747-F803 HydrophobicContact CH2-CZ 4.48Å; W747-F803 AromaticContact CZ2-CD1 3.75Å; W747-F803 HydrophobicContact CZ2-CD1 3.75Å; W747-F803 AromaticContact CZ2-CE1 3.97Å; W747-F803 HydrophobicContact CZ2-CE1 3.97Å
748	F	96.4	Very high	94	Very high	3 Å²	3	25.9 Å²	25.9	1%	0.013	13%	0.126	C	C	.	.	H	α-helix	trans	-77.1	-56.7	174.9	-69.9	-80.5	0	0	0	112.2	L703 L711 K714 F715 L718 A744 T750 L751 I776 F777	L703-F748 HydrophobicContact CD1-CB 4.05Å; L711-F748 HydrophobicContact CD1-CB 3.55Å; L711-F748 HydrophobicContact CD1-CD2 4.45Å; L711-F748 HydrophobicContact CD1-CG 4.17Å; K714-F748 HydrophobicContact CB-CD1 4.05Å; K714-F748 HydrophobicContact CB-CE1 3.84Å; K714-F748 HydrophobicContact CB-CE2 4.45Å; K714-F748 HydrophobicContact CB-CG 4.46Å; K714-F748 HydrophobicContact CB-CZ 4.06Å; K714-F748 HydrophobicContact CG-CD1 4.31Å; K714-F748 HydrophobicContact CG-CE1 4.39Å; F715-F748 HydrophobicContact CD1-CD2 4.33Å; F715-F748 HydrophobicContact CD1-CE2 4.32Å; F715-F748 HydrophobicContact CE1-CD2 4.06Å; F715-F748 HydrophobicContact CE1-CE2 4.48Å; L718-F748 HydrophobicContact CB-CZ 4.46Å; L718-F748 HydrophobicContact CD2-CE2 4.1Å; L718-F748 HydrophobicContact CD2-CZ 4.45Å; A744-F748 HydrophobicContact CB-CD2 4.22Å; A744-F748 HydrophobicContact CB-CE2 4.07Å; A744-F748 WeakPolarHBondContact O-CD2 3.41Å; A744-F748 PolarHBondContact O-N 3.2Å; F748-T750 VanDerWaalsContact C-N 3.28Å; F748-T750 PolarHBondContact O-N 3Å; F748-L751 PolarHBondContact O-N 3.33Å; F748-I776 HydrophobicContact CD1-CB 4.19Å; F748-I776 HydrophobicContact CD1-CG2 3.45Å; F748-I776 VanDerWaalsContact CD1-CG2 3.45Å; F748-I776 HydrophobicContact CE1-CB 4.18Å; F748-I776 HydrophobicContact CE1-CG2 3.59Å; F748-I776 HydrophobicContact CG-CG2 4Å; F748-I776 HydrophobicContact CZ-CG2 4.25Å; F748-F777 HydrophobicContact CE1-CD1 4.17Å; F748-F777 HydrophobicContact CE1-CD2 4.46Å; F748-F777 AromaticContact CE1-CE1 3.79Å; F748-F777 HydrophobicContact CE1-CE1 3.79Å; F748-F777 HydrophobicContact CE1-CE2 4.1Å; F748-F777 HydrophobicContact CE1-CG 4.48Å; F748-F777 AromaticContact CE1-CZ 3.73Å; F748-F777 HydrophobicContact CE1-CZ 3.73Å; F748-F777 AromaticContact CZ-CD1 3.9Å; F748-F777 HydrophobicContact CZ-CD1 3.9Å; F748-F777 AromaticContact CZ-CE1 3.56Å; F748-F777 HydrophobicContact CZ-CE1 3.56Å; F748-F777 AromaticContact CZ-CZ 3.99Å; F748-F777 HydrophobicContact CZ-CZ 3.99Å
749	L	94.7	Very high	94	Very high	26 Å²	26	27 Å²	27	14%	0.136	13%	0.13	C	C	.	.	H	α-helix	trans	-66.8	-25.7	-171.8	-64.8	-179.2	0	0	0	114.2	L703 F704 F708 L711 S745	L703-L749 HydrophobicContact CB-CD2 3.73Å; L703-L749 HydrophobicContact CD1-CD2 4.35Å; F704-L749 HydrophobicContact CD1-CD2 4.12Å; F704-L749 HydrophobicContact CD2-CD2 4.33Å; F704-L749 HydrophobicContact CE1-CB 4.16Å; F704-L749 HydrophobicContact CE1-CD1 4.23Å; F704-L749 HydrophobicContact CE1-CD2 3.76Å; F704-L749 HydrophobicContact CE1-CG 4.27Å; F704-L749 HydrophobicContact CE2-CD2 4Å; F704-L749 HydrophobicContact CG-CD2 4.39Å; F704-L749 HydrophobicContact CZ-CB 3.9Å; F704-L749 HydrophobicContact CZ-CD2 3.72Å; F704-L749 HydrophobicContact CZ-CG 4.31Å; F708-L749 HydrophobicContact CD1-CD1 4.36Å; F708-L749 HydrophobicContact CD1-CD2 4.47Å; F708-L749 HydrophobicContact CE1-CD1 4.16Å; L711-L749 HydrophobicContact CD1-CD2 3.93Å; L711-L749 HydrophobicContact CD1-CG 4.04Å; L711-L749 HydrophobicContact CD2-CD1 3.87Å; L711-L749 HydrophobicContact CD2-CD2 3.96Å; L711-L749 HydrophobicContact CD2-CG 3.94Å; L711-L749 HydrophobicContact CG-CD2 4.41Å; S745-L749 WeakPolarHBondContact O-CB 3.34Å; S745-L749 WeakPolarHBondContact O-CG 3.28Å; S745-L749 PolarHBondContact O-N 3.03Å
750	T	95.6	Very high	94.1	Very high	7 Å²	7	22.1 Å²	22.1	4%	0.043	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	6.7	178.6	78.2	0	0	0	0	113.2	Q746 F748 F752 T753 A754	Q746-T750 WeakPolarHBondContact O-CB 3.49Å; Q746-T750 PolarHBondContact O-N 2.65Å; Q746-T750 VanDerWaalsContact O-N 3.08Å; Q746-T750 PolarHBondContact O-OG1 3.1Å; F748-T750 VanDerWaalsContact C-N 3.28Å; F748-T750 PolarHBondContact O-N 3Å; T750-F752 PolarHBondContact O-N 3.28Å; T750-T753 VanDerWaalsContact O-CB 3.25Å; T750-T753 WeakPolarHBondContact O-CB 3.32Å; T750-T753 WeakPolarHBondContact O-CG2 3.32Å; T750-T753 PolarHBondContact O-N 3.44Å; T750-T753 PolarHBondContact O-OG1 3.36Å; T750-A754 HydrophobicContact CG2-CB 3.94Å; T750-A754 WeakPolarHBondContact OG1-CB 3.42Å; T750-A754 PolarHBondContact OG1-N 3.41Å
751	L	97	Very high	94.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	42.5	-173.9	-50.8	-179.2	0	0	0	112.5	L674 I694 L700 W747 F748 T753 I765 L768 I776	L674-L751 HydrophobicContact CD1-CD1 4.12Å; L674-L751 HydrophobicContact CD2-CD1 4.16Å; I694-L751 HydrophobicContact CG2-CD1 3.94Å; L700-L751 HydrophobicContact CD1-CD2 4.05Å; L700-L751 HydrophobicContact CD1-CG 4.47Å; L700-L751 HydrophobicContact CD2-CD1 3.98Å; L700-L751 HydrophobicContact CD2-CD2 4.38Å; L700-L751 HydrophobicContact CD2-CG 4.03Å; W747-L751 CarbonylContact O-C 3.6Å; W747-L751 VanDerWaalsContact O-CA 3.25Å; W747-L751 WeakPolarHBondContact O-CA 3.04Å; W747-L751 PolarHBondContact O-N 3.25Å; F748-L751 PolarHBondContact O-N 3.33Å; L751-T753 PolarHBondContact O-N 2.99Å; L751-I765 HydrophobicContact CB-CD1 4.35Å; L751-I765 HydrophobicContact CD1-CD1 4Å; L751-L768 HydrophobicContact CD1-CD1 3.83Å; L751-L768 HydrophobicContact CD1-CD2 3.9Å; L751-L768 HydrophobicContact CD2-CD1 3.75Å; L751-L768 HydrophobicContact CG-CD1 4.35Å; L751-I776 HydrophobicContact CB-CD1 4.22Å; L751-I776 HydrophobicContact CD2-CD1 3.8Å; L751-I776 HydrophobicContact CD2-CG1 3.86Å
752	F	96.4	Very high	94.4	Very high	1 Å²	1	19 Å²	19	0%	0.004	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	-9.7	-171.5	-54.9	-91.9	0	0	0	117.2	W747 T750 A754 K755 F756 I764 I776 V779 A780 L783	W747-F752 HydrophobicContact CB-CD1 3.78Å; W747-F752 HydrophobicContact CB-CE1 3.41Å; W747-F752 VanDerWaalsContact CB-CE1 3.41Å; W747-F752 HydrophobicContact CB-CE2 4.38Å; W747-F752 HydrophobicContact CB-CG 4.4Å; W747-F752 HydrophobicContact CB-CZ 3.76Å; W747-F752 AromaticContact CD1-CD1 3.81Å; W747-F752 AromaticContact CD1-CE1 3.88Å; W747-F752 HydrophobicContact CD2-CD1 4.32Å; W747-F752 AromaticContact CD2-CE1 3.61Å; W747-F752 HydrophobicContact CD2-CE1 3.61Å; W747-F752 HydrophobicContact CD2-CZ 4.39Å; W747-F752 HydrophobicContact CE3-CE1 4.02Å; W747-F752 HydrophobicContact CE3-CZ 4.45Å; W747-F752 AromaticContact CG-CD1 3.69Å; W747-F752 HydrophobicContact CG-CD1 3.69Å; W747-F752 AromaticContact CG-CE1 3.34Å; W747-F752 HydrophobicContact CG-CE1 3.34Å; W747-F752 HydrophobicContact CG-CZ 4.13Å; W747-F752 PolarHBondContact O-N 3.46Å; W747-F752 VanDerWaalsContact O-N 3.13Å; T750-F752 PolarHBondContact O-N 3.28Å; F752-A754 VanDerWaalsContact C-N 3.26Å; F752-A754 PolarHBondContact O-N 3.22Å; F752-A754 VanDerWaalsContact O-N 3.11Å; F752-K755 PolarHBondContact O-N 2.92Å; F752-F756 HydrophobicContact CB-CB 4.43Å; F752-F756 HydrophobicContact CB-CD2 3.83Å; F752-F756 HydrophobicContact CB-CE2 4.49Å; F752-F756 HydrophobicContact CB-CG 4.32Å; F752-F756 AromaticContact CD1-CD2 3.84Å; F752-F756 HydrophobicContact CD1-CD2 3.84Å; F752-F756 AromaticContact CD1-CE2 3.66Å; F752-F756 HydrophobicContact CD1-CE2 3.66Å; F752-F756 HydrophobicContact CD1-CZ 4.22Å; F752-F756 HydrophobicContact CE1-CE2 4.47Å; F752-F756 HydrophobicContact CG-CD2 4.33Å; F752-F756 PolarHBondContact O-N 2.92Å; F752-I764 HydrophobicContact CB-CD1 3.99Å; F752-I764 HydrophobicContact CD2-CD1 3.77Å; F752-I764 HydrophobicContact CD2-CG2 4.18Å; F752-I764 HydrophobicContact CE2-CD1 4.46Å; F752-I764 HydrophobicContact CG-CD1 3.99Å; F752-I776 HydrophobicContact CD2-CD1 3.92Å; F752-I776 HydrophobicContact CE2-CB 4.42Å; F752-I776 HydrophobicContact CE2-CD1 3.74Å; F752-I776 HydrophobicContact CE2-CG2 3.81Å; F752-I776 HydrophobicContact CZ-CG2 4.23Å; F752-V779 HydrophobicContact CD2-CG1 4.21Å; F752-V779 HydrophobicContact CE1-CG1 4.03Å; F752-V779 HydrophobicContact CE2-CB 3.74Å; F752-V779 HydrophobicContact CE2-CG1 3.59Å; F752-V779 HydrophobicContact CZ-CB 3.81Å; F752-V779 HydrophobicContact CZ-CG1 3.5Å; F752-A780 HydrophobicContact CZ-CB 4.38Å; F752-L783 HydrophobicContact CD1-CD1 4.08Å; F752-L783 HydrophobicContact CE1-CD1 3.43Å; F752-L783 VanDerWaalsContact CE1-CD1 3.43Å; F752-L783 HydrophobicContact CZ-CD1 4.17Å
753	T	95.4	Very high	94.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.5	-172.3	62.8	0	0	0	0	113.9	F634 F673 L674 V677 T750 L751 K755 V761	F634-T753 WeakPolarHBondContact CE1-O 3.28Å; F673-T753 WeakPolarHBondContact CB-OG1 3.37Å; L674-T753 HydrophobicContact CD1-CG2 4.37Å; V677-T753 HydrophobicContact CG2-CG2 3.98Å; T750-T753 VanDerWaalsContact O-CB 3.25Å; T750-T753 WeakPolarHBondContact O-CB 3.32Å; T750-T753 WeakPolarHBondContact O-CG2 3.32Å; T750-T753 PolarHBondContact O-N 3.44Å; T750-T753 PolarHBondContact O-OG1 3.36Å; L751-T753 PolarHBondContact O-N 2.99Å; T753-K755 VanDerWaalsContact C-N 3.3Å; T753-K755 PolarHBondContact O-N 3.2Å; T753-V761 HydrophobicContact CG2-CG1 3.54Å
754	A	91.6	Very high	94.7	Very high	7 Å²	7	15.2 Å²	15.2	6%	0.058	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-21.2	-174.3	0	0	0	0	0	114.9	S544 F673 T750 F752	S544-A754 WeakPolarHBondContact CB-O 3.34Å; S544-A754 PolarHBondContact OG-O 3.37Å; F673-A754 HydrophobicContact CB-CB 4.49Å; F673-A754 HydrophobicContact CD1-CB 4.22Å; F673-A754 HydrophobicContact CD2-CB 3.83Å; F673-A754 HydrophobicContact CE1-CB 4.37Å; F673-A754 HydrophobicContact CE2-CB 4.03Å; F673-A754 HydrophobicContact CG-CB 3.94Å; F673-A754 HydrophobicContact CZ-CB 4.29Å; T750-A754 HydrophobicContact CG2-CB 3.94Å; T750-A754 WeakPolarHBondContact OG1-CB 3.42Å; T750-A754 PolarHBondContact OG1-N 3.41Å; F752-A754 VanDerWaalsContact C-N 3.26Å; F752-A754 PolarHBondContact O-N 3.22Å; F752-A754 VanDerWaalsContact O-N 3.11Å
755	K	89.1	Confident	94.9	Very high	82 Å²	82	15.2 Å²	15.2	36%	0.357	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-26.8	-169.4	-66.5	-62	178.2	-168.6	0	116.2	F752 T753 P808	F752-K755 PolarHBondContact O-N 2.92Å; T753-K755 VanDerWaalsContact C-N 3.3Å; T753-K755 PolarHBondContact O-N 3.2Å; K755-P808 WeakPolarHBondContact O-CB 3.25Å
756	F	94.1	Very high	95.1	Very high	3 Å²	3	13.4 Å²	13.4	1%	0.013	6%	0.062	C	C	.	.	S	Bend	trans	-94.4	153.9	-173.3	-73.1	-98.5	0	0	0	112	W747 F752 M760 V761 L783 V807 Y811	W747-F756 AromaticContact NE1-CE2 3.84Å; F752-F756 HydrophobicContact CB-CB 4.43Å; F752-F756 HydrophobicContact CB-CD2 3.83Å; F752-F756 HydrophobicContact CB-CE2 4.49Å; F752-F756 HydrophobicContact CB-CG 4.32Å; F752-F756 AromaticContact CD1-CD2 3.84Å; F752-F756 HydrophobicContact CD1-CD2 3.84Å; F752-F756 AromaticContact CD1-CE2 3.66Å; F752-F756 HydrophobicContact CD1-CE2 3.66Å; F752-F756 HydrophobicContact CD1-CZ 4.22Å; F752-F756 HydrophobicContact CE1-CE2 4.47Å; F752-F756 HydrophobicContact CG-CD2 4.33Å; F752-F756 PolarHBondContact O-N 2.92Å; F756-M760 HydrophobicContact CB-CE 4.31Å; F756-M760 HydrophobicContact CB-SD 4.25Å; F756-M760 HydrophobicContact CD1-CE 3.41Å; F756-M760 VanDerWaalsContact CD1-CE 3.41Å; F756-M760 HydrophobicContact CD1-SD 3.57Å; F756-M760 VanDerWaalsContact CD1-SD 3.57Å; F756-M760 HydrophobicContact CE1-CE 3.84Å; F756-M760 HydrophobicContact CE1-SD 4.33Å; F756-M760 HydrophobicContact CG-CE 3.92Å; F756-M760 HydrophobicContact CG-SD 4.24Å; F756-V761 HydrophobicContact CB-CG2 3.89Å; F756-V761 WeakPolarHBondContact O-CG2 3.04Å; F756-L783 HydrophobicContact CE1-CD1 4.05Å; F756-L783 HydrophobicContact CE1-CD2 3.88Å; F756-L783 HydrophobicContact CZ-CD1 3.85Å; F756-L783 HydrophobicContact CZ-CD2 4.38Å; F756-V807 HydrophobicContact CE1-CG1 3.79Å; F756-V807 HydrophobicContact CZ-CG1 3.75Å; F756-Y811 HydrophobicContact CD1-CD2 4.31Å; F756-Y811 HydrophobicContact CE1-CD2 4.1Å
757	P	93.7	Very high	95.2	Very high	1 Å²	1	9 Å²	9	1%	0.006	4%	0.042	C	C	.	.			trans	-60.2	145.9	179.1	-27.5	38.4	0	0	0	113.3	L542 S546 Y759 M760 V761 R812	L542-P757 HydrophobicContact CD1-CG 3.97Å; S546-P757 CarbonylContact O-C 3.58Å; S546-P757 VanDerWaalsContact O-CA 3.22Å; S546-P757 WeakPolarHBondContact O-CA 3.33Å; S546-P757 WeakPolarHBondContact O-CB 3.48Å; P757-Y759 VanDerWaalsContact C-N 3.33Å; P757-Y759 PolarHBondContact O-N 3.11Å; P757-M760 PolarHBondContact O-N 3.3Å; P757-V761 WeakPolarHBondContact O-CG2 3.35Å; P757-V761 PolarHBondContact O-N 3.25Å; P757-V761 VanDerWaalsContact O-N 3.1Å; P757-R812 HydrophobicContact CG-CB 4.2Å
758	L	93.6	Very high	95.3	Very high	3 Å²	3	8.5 Å²	8.5	2%	0.016	4%	0.04	C	C	.	.	H	α-helix	trans	-55.5	-44	-170.6	-70.1	-179.3	0	0	0	112.9	G545 S546 V549 F634 L680 M760 V761 F762	G545-L758 WeakPolarHBondContact O-CD1 3.23Å; S546-L758 PolarHBondContact O-N 2.66Å; V549-L758 HydrophobicContact CG2-CB 4.13Å; F634-L758 HydrophobicContact CD1-CD2 4.48Å; F634-L758 HydrophobicContact CD2-CD2 4.3Å; F634-L758 HydrophobicContact CE1-CD2 3.99Å; F634-L758 HydrophobicContact CE2-CD2 3.8Å; F634-L758 HydrophobicContact CZ-CD2 3.63Å; L680-L758 HydrophobicContact CD1-CD1 4.29Å; L758-M760 VanDerWaalsContact C-N 3.31Å; L758-M760 PolarHBondContact O-N 3.23Å; L758-V761 PolarHBondContact O-N 3.02Å; L758-V761 VanDerWaalsContact O-N 3.09Å; L758-F762 HydrophobicContact CB-CE1 3.92Å; L758-F762 HydrophobicContact CB-CE2 4.2Å; L758-F762 HydrophobicContact CB-CZ 3.71Å; L758-F762 HydrophobicContact CD1-CZ 4.21Å; L758-F762 HydrophobicContact CD2-CE1 3.84Å; L758-F762 HydrophobicContact CD2-CZ 4.11Å; L758-F762 HydrophobicContact CG-CE1 4.36Å; L758-F762 HydrophobicContact CG-CZ 4.23Å; L758-F762 WeakPolarHBondContact O-CD1 3.43Å; L758-F762 WeakPolarHBondContact O-CG 3.27Å; L758-F762 PolarHBondContact O-N 3.34Å
759	Y	92.8	Very high	95.3	Very high	31 Å²	31	8.4 Å²	8.4	12%	0.122	4%	0.039	C	C	.	.	H	α-helix	trans	-49.9	-49.4	176.1	-177.2	-85.4	0	0	0	112.9	V549 P757 H763 E814 A817 K818	V549-Y759 HydrophobicContact CG1-CD2 4.27Å; P757-Y759 VanDerWaalsContact C-N 3.33Å; P757-Y759 PolarHBondContact O-N 3.11Å; Y759-H763 PolarHBondContact O-N 3.33Å; Y759-E814 HydrophobicContact CD1-CB 4.33Å; Y759-E814 HydrophobicContact CD1-CG 4.23Å; Y759-E814 HydrophobicContact CD2-CB 4.46Å; Y759-E814 HydrophobicContact CD2-CG 3.63Å; Y759-E814 WeakPolarHBondContact CD2-OE1 3.48Å; Y759-E814 HydrophobicContact CE1-CB 4.28Å; Y759-E814 HydrophobicContact CE1-CG 4.45Å; Y759-E814 HydrophobicContact CE2-CB 4.41Å; Y759-E814 VanDerWaalsContact CE2-CD 3.47Å; Y759-E814 HydrophobicContact CE2-CG 3.88Å; Y759-E814 WeakPolarHBondContact CE2-OE1 3.45Å; Y759-E814 HydrophobicContact CG-CB 4.46Å; Y759-E814 HydrophobicContact CG-CG 3.87Å; Y759-A817 HydrophobicContact CD1-CB 3.62Å; Y759-A817 HydrophobicContact CE1-CB 3.95Å; Y759-K818 HydrophobicContact CE1-CG 4.1Å; Y759-K818 WeakPolarHBondContact OH-CE 3.18Å
760	M	94.9	Very high	95.4	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-67.8	-44	179.5	173.2	177.2	156	0	0	110.8	F756 P757 L758 F762 H763 I764 V779 L783 Y811 A817 L820 M821	F756-M760 HydrophobicContact CB-CE 4.31Å; F756-M760 HydrophobicContact CB-SD 4.25Å; F756-M760 HydrophobicContact CD1-CE 3.41Å; F756-M760 VanDerWaalsContact CD1-CE 3.41Å; F756-M760 HydrophobicContact CD1-SD 3.57Å; F756-M760 VanDerWaalsContact CD1-SD 3.57Å; F756-M760 HydrophobicContact CE1-CE 3.84Å; F756-M760 HydrophobicContact CE1-SD 4.33Å; F756-M760 HydrophobicContact CG-CE 3.92Å; F756-M760 HydrophobicContact CG-SD 4.24Å; P757-M760 PolarHBondContact O-N 3.3Å; L758-M760 VanDerWaalsContact C-N 3.31Å; L758-M760 PolarHBondContact O-N 3.23Å; M760-F762 VanDerWaalsContact C-N 3.32Å; M760-F762 PolarHBondContact O-N 2.76Å; M760-H763 PolarHBondContact O-N 3.03Å; M760-I764 HydrophobicContact CE-CD1 3.72Å; M760-I764 HydrophobicContact CG-CD1 3.94Å; M760-I764 VanDerWaalsContact O-CG1 3.32Å; M760-I764 WeakPolarHBondContact O-CG1 3.34Å; M760-I764 PolarHBondContact O-N 2.88Å; M760-V779 HydrophobicContact CE-CG1 4.08Å; M760-L783 HydrophobicContact CE-CD1 4.29Å; M760-L783 HydrophobicContact CE-CD2 4.19Å; M760-Y811 HydrophobicContact SD-CD2 4.15Å; M760-Y811 HydrophobicContact SD-CG 3.82Å; M760-A817 HydrophobicContact CB-CB 4.01Å; M760-L820 HydrophobicContact CE-CD2 3.49Å; M760-L820 VanDerWaalsContact CE-CD2 3.49Å; M760-L820 HydrophobicContact SD-CD2 3.66Å; M760-M821 HydrophobicContact CE-CE 4.29Å; M760-M821 HydrophobicContact CG-CE 4.14Å
761	V	96.1	Very high	95.2	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.9	-41	-180	172.7	0	0	0	0	111.3	V677 T753 F756 P757 L758 H763 I764 I765	V677-V761 HydrophobicContact CG2-CG1 3.85Å; T753-V761 HydrophobicContact CG2-CG1 3.54Å; F756-V761 HydrophobicContact CB-CG2 3.89Å; F756-V761 WeakPolarHBondContact O-CG2 3.04Å; P757-V761 WeakPolarHBondContact O-CG2 3.35Å; P757-V761 PolarHBondContact O-N 3.25Å; P757-V761 VanDerWaalsContact O-N 3.1Å; L758-V761 PolarHBondContact O-N 3.02Å; L758-V761 VanDerWaalsContact O-N 3.09Å; V761-H763 PolarHBondContact O-N 3.35Å; V761-I764 WeakPolarHBondContact O-CB 3.24Å; V761-I764 PolarHBondContact O-N 3.32Å; V761-I764 VanDerWaalsContact O-N 3.13Å; V761-I765 PolarHBondContact O-N 2.76Å
762	F	96.4	Very high	95.1	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.018	6%	0.061	C	C	.	.	H	α-helix	trans	-65.5	-39.6	179.8	-58.4	-9.7	0	0	0	111.5	V549 E589 R592 W596 V677 L680 H681 L758 M760 I764 I765 D766	V549-F762 HydrophobicContact CB-CE2 4.47Å; V549-F762 HydrophobicContact CG1-CD2 4.28Å; V549-F762 HydrophobicContact CG1-CE2 4.36Å; V549-F762 HydrophobicContact CG2-CD2 4.24Å; V549-F762 HydrophobicContact CG2-CE2 3.9Å; E589-F762 WeakPolarHBondContact OE1-CE2 3.5Å; E589-F762 WeakPolarHBondContact OE2-CD2 3.39Å; R592-F762 VanDerWaalsContact CZ-CB 3.49Å; W596-F762 HydrophobicContact CH2-CB 4.44Å; W596-F762 HydrophobicContact CH2-CD1 4.42Å; W596-F762 HydrophobicContact CZ2-CB 4.29Å; V677-F762 HydrophobicContact CB-CE1 4.47Å; V677-F762 HydrophobicContact CG1-CD1 3.76Å; V677-F762 HydrophobicContact CG1-CE1 3.87Å; V677-F762 HydrophobicContact CG2-CE1 4.15Å; L680-F762 HydrophobicContact CD1-CZ 4.05Å; H681-F762 AromaticContact CE1-CD1 3.72Å; H681-F762 AromaticContact CE1-CD2 3.55Å; H681-F762 AromaticContact CE1-CE1 3.62Å; H681-F762 AromaticContact CE1-CE2 3.44Å; H681-F762 VanDerWaalsContact CE1-CE2 3.44Å; H681-F762 WeakPolarHBondContact CE1-CE2 3.36Å; H681-F762 AromaticContact CE1-CG 3.7Å; H681-F762 AromaticContact CE1-CZ 3.48Å; H681-F762 VanDerWaalsContact CE1-CZ 3.48Å; H681-F762 WeakPolarHBondContact CE1-CZ 3.42Å; H681-F762 AromaticContact NE2-CD2 3.52Å; H681-F762 AromaticContact NE2-CE2 3.57Å; H681-F762 AromaticContact NE2-CG 3.99Å; L758-F762 HydrophobicContact CB-CE1 3.92Å; L758-F762 HydrophobicContact CB-CE2 4.2Å; L758-F762 HydrophobicContact CB-CZ 3.71Å; L758-F762 HydrophobicContact CD1-CZ 4.21Å; L758-F762 HydrophobicContact CD2-CE1 3.84Å; L758-F762 HydrophobicContact CD2-CZ 4.11Å; L758-F762 HydrophobicContact CG-CE1 4.36Å; L758-F762 HydrophobicContact CG-CZ 4.23Å; L758-F762 WeakPolarHBondContact O-CD1 3.43Å; L758-F762 WeakPolarHBondContact O-CG 3.27Å; L758-F762 PolarHBondContact O-N 3.34Å; M760-F762 VanDerWaalsContact C-N 3.32Å; M760-F762 PolarHBondContact O-N 2.76Å; F762-I764 VanDerWaalsContact C-N 3.29Å; F762-I764 PolarHBondContact O-N 3.48Å; F762-I765 PolarHBondContact O-N 2.65Å; F762-D766 PolarHBondContact O-N 2.74Å
763	H	96	Very high	94.9	Very high	6 Å²	6	14.2 Å²	14.2	3%	0.028	7%	0.073	C	C	.	.	H	α-helix	trans	-67	-29.2	173.8	-154.7	162.1	0	0	0	112.3	V583 R584 G586 Y759 M760 V761 D766 L767 M821	V583-H763 PolarHBondContact O-NE2 3.47Å; R584-H763 PolarHBondContact O-CE1 3.3Å; R584-H763 PolarHBondContact O-NE2 2.86Å; G586-H763 PolarHBondContact N-NE2 3.49Å; Y759-H763 PolarHBondContact O-N 3.33Å; M760-H763 PolarHBondContact O-N 3.03Å; V761-H763 PolarHBondContact O-N 3.35Å; H763-D766 WeakPolarHBondContact O-CB 3.43Å; H763-L767 WeakPolarHBondContact O-CG 3.46Å; H763-L767 PolarHBondContact O-N 3.26Å; H763-L767 VanDerWaalsContact O-N 3.14Å; H763-M821 HydrophobicContact CB-CG 4Å; H763-M821 HydrophobicContact CB-SD 4.27Å
764	I	97.4	Very high	94.8	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.9	-41.7	171.6	-65.6	166.4	0	0	0	110.9	F752 M760 V761 F762 L767 L768 I776 V779 M821	F752-I764 HydrophobicContact CB-CD1 3.99Å; F752-I764 HydrophobicContact CD2-CD1 3.77Å; F752-I764 HydrophobicContact CD2-CG2 4.18Å; F752-I764 HydrophobicContact CE2-CD1 4.46Å; F752-I764 HydrophobicContact CG-CD1 3.99Å; M760-I764 HydrophobicContact CE-CD1 3.72Å; M760-I764 HydrophobicContact CG-CD1 3.94Å; M760-I764 VanDerWaalsContact O-CG1 3.32Å; M760-I764 WeakPolarHBondContact O-CG1 3.34Å; M760-I764 PolarHBondContact O-N 2.88Å; V761-I764 WeakPolarHBondContact O-CB 3.24Å; V761-I764 PolarHBondContact O-N 3.32Å; V761-I764 VanDerWaalsContact O-N 3.13Å; F762-I764 VanDerWaalsContact C-N 3.29Å; F762-I764 PolarHBondContact O-N 3.48Å; I764-L767 PolarHBondContact O-N 2.96Å; I764-L768 VanDerWaalsContact O-CB 3.23Å; I764-L768 WeakPolarHBondContact O-CB 3.5Å; I764-L768 PolarHBondContact O-N 2.8Å; I764-I776 HydrophobicContact CG2-CD1 3.96Å; I764-V779 HydrophobicContact CD1-CG1 3.94Å; I764-V779 HydrophobicContact CG1-CG1 4.38Å; I764-V779 HydrophobicContact CG1-CG2 4.11Å; I764-M821 HydrophobicContact CD1-CE 4.3Å; I764-M821 HydrophobicContact CG1-CE 3.98Å; I764-M821 HydrophobicContact CG1-SD 3.86Å
765	I	98	Very high	95	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-68.1	-41.4	175.7	-59.8	-54.7	0	0	0	111.5	W596 L674 V677 L751 V761 F762 L767 L768 L769	W596-I765 HydrophobicContact CD2-CG2 3.89Å; W596-I765 HydrophobicContact CE3-CG2 4.06Å; W596-I765 HydrophobicContact CH2-CB 4.07Å; W596-I765 HydrophobicContact CH2-CG2 3.9Å; W596-I765 HydrophobicContact CZ2-CB 3.81Å; W596-I765 HydrophobicContact CZ2-CG2 3.71Å; W596-I765 HydrophobicContact CZ3-CG2 4.07Å; L674-I765 HydrophobicContact CD1-CD1 3.87Å; V677-I765 HydrophobicContact CG1-CG1 4.1Å; L751-I765 HydrophobicContact CB-CD1 4.35Å; L751-I765 HydrophobicContact CD1-CD1 4Å; V761-I765 PolarHBondContact O-N 2.76Å; F762-I765 PolarHBondContact O-N 2.65Å; I765-L767 VanDerWaalsContact C-N 3.28Å; I765-L767 PolarHBondContact O-N 3.21Å; I765-L768 PolarHBondContact O-N 2.88Å; I765-L769 HydrophobicContact CG2-CD1 3.76Å; I765-L769 HydrophobicContact CG2-CG 4.16Å; I765-L769 WeakPolarHBondContact O-CG 3.19Å; I765-L769 PolarHBondContact O-N 2.82Å
766	D	97.5	Very high	95.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-48.8	-51.5	171.6	-67.3	-13.9	0	0	0	110.7	V583 I587 R592 W596 F762 H763 C770	V583-D766 HydrophobicContact CG1-CB 4.08Å; V583-D766 WeakPolarHBondContact CG1-O 3.29Å; I587-D766 HydrophobicContact CD1-CB 3.7Å; I587-D766 WeakPolarHBondContact CD1-OD1 3.43Å; I587-D766 HydrophobicContact CG1-CB 3.83Å; I587-D766 VanDerWaalsContact CG1-CG 3.43Å; I587-D766 PolarHBondContact N-OD2 3.27Å; R592-D766 IonicContact CZ-OD1 3.21Å; R592-D766 IonicContact CZ-OD2 2.7Å; R592-D766 IonicContact NE-OD1 3.71Å; R592-D766 PolarHBondContact NE-OD1 3.05Å; R592-D766 IonicContact NE-OD2 2.81Å; R592-D766 PolarHBondContact NE-OD2 2.97Å; R592-D766 IonicContact NH2-OD1 2.77Å; R592-D766 IonicContact NH2-OD2 2.8Å; R592-D766 PolarHBondContact NH2-OD2 3.12Å; W596-D766 PolarHBondContact NE1-OD1 2.84Å; F762-D766 PolarHBondContact O-N 2.74Å; H763-D766 WeakPolarHBondContact O-CB 3.43Å; D766-C770 WeakPolarHBondContact O-CB 3.48Å; D766-C770 PolarHBondContact O-N 2.79Å
767	L	96.9	Very high	95.5	Very high	4 Å²	4	11.5 Å²	11.5	2%	0.021	6%	0.063	C	C	.	.	H	α-helix	trans	-71.2	-41.4	-179.6	-72.9	167.7	0	0	0	112.7	V583 R584 H763 I764 I765 C770 E771 V775 M821	V583-L767 HydrophobicContact CG1-CD2 4.26Å; R584-L767 HydrophobicContact CG-CD2 3.81Å; H763-L767 WeakPolarHBondContact O-CG 3.46Å; H763-L767 PolarHBondContact O-N 3.26Å; H763-L767 VanDerWaalsContact O-N 3.14Å; I764-L767 PolarHBondContact O-N 2.96Å; I765-L767 VanDerWaalsContact C-N 3.28Å; I765-L767 PolarHBondContact O-N 3.21Å; L767-C770 PolarHBondContact O-N 2.92Å; L767-C770 VanDerWaalsContact O-N 3.16Å; L767-E771 PolarHBondContact O-N 3.42Å; L767-V775 HydrophobicContact CB-CG1 3.72Å; L767-V775 HydrophobicContact CB-CG2 4.18Å; L767-V775 HydrophobicContact CD1-CG1 4.46Å; L767-M821 HydrophobicContact CD1-SD 4.13Å
768	L	97.4	Very high	95.6	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-62.2	-44.5	-179.1	-178.7	123.6	0	0	0	111.8	I694 Y698 L751 I764 I765 C770 G772 I773 I776	I694-L768 HydrophobicContact CG1-CD2 4.48Å; I694-L768 HydrophobicContact CG2-CD2 4.22Å; Y698-L768 WeakPolarHBondContact CE1-O 3.41Å; L751-L768 HydrophobicContact CD1-CD1 3.83Å; L751-L768 HydrophobicContact CD1-CD2 3.9Å; L751-L768 HydrophobicContact CD2-CD1 3.75Å; L751-L768 HydrophobicContact CG-CD1 4.35Å; I764-L768 VanDerWaalsContact O-CB 3.23Å; I764-L768 WeakPolarHBondContact O-CB 3.5Å; I764-L768 PolarHBondContact O-N 2.8Å; I765-L768 PolarHBondContact O-N 2.88Å; L768-C770 VanDerWaalsContact C-N 3.26Å; L768-C770 PolarHBondContact O-N 2.93Å; L768-G772 WeakPolarHBondContact O-CA 3.15Å; L768-G772 PolarHBondContact O-N 3.03Å; L768-I773 HydrophobicContact CD1-CG1 4.43Å; L768-I776 HydrophobicContact CD1-CD1 4.07Å; L768-I776 HydrophobicContact CD1-CG1 4.13Å
769	L	97	Very high	95.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-70.3	-23.5	176.9	-66	176.5	0	0	0	112.3	R575 W596 L599 A600 I694 Y698 I765	R575-L769 PolarHBondContact NH1-O 3.06Å; R575-L769 PolarHBondContact NH2-O 2.83Å; W596-L769 HydrophobicContact CB-CD1 3.57Å; W596-L769 HydrophobicContact CD2-CD1 4.22Å; W596-L769 HydrophobicContact CG-CD1 3.61Å; L599-L769 HydrophobicContact CB-CB 3.75Å; L599-L769 HydrophobicContact CD1-CB 3.82Å; L599-L769 HydrophobicContact CG-CB 4.39Å; A600-L769 HydrophobicContact CB-CD2 4.32Å; I694-L769 HydrophobicContact CD1-CD2 4.08Å; I694-L769 HydrophobicContact CG1-CD2 3.79Å; Y698-L769 HydrophobicContact CE1-CD2 4.23Å; Y698-L769 HydrophobicContact CE2-CD2 4.02Å; Y698-L769 PolarHBondContact OH-O 2.86Å; I765-L769 HydrophobicContact CG2-CD1 3.76Å; I765-L769 HydrophobicContact CG2-CG 4.16Å; I765-L769 WeakPolarHBondContact O-CG 3.19Å; I765-L769 PolarHBondContact O-N 2.82Å
770	C	95.7	Very high	96.1	Very high	14 Å²	14	11.1 Å²	11.1	10%	0.095	6%	0.062	C	C	.	.	H	α-helix	trans	-85.3	-44.1	175.9	-172.5	0	0	0	0	114	R575 V583 L599 D766 L767 L768	R575-C770 PolarHBondContact NH1-O 2.79Å; V583-C770 HydrophobicContact CB-CB 4.29Å; V583-C770 HydrophobicContact CG1-CB 3.71Å; V583-C770 HydrophobicContact CG2-CB 4.22Å; L599-C770 HydrophobicContact CD1-CB 4.38Å; L599-C770 HydrophobicContact CD2-CB 4.14Å; D766-C770 WeakPolarHBondContact O-CB 3.48Å; D766-C770 PolarHBondContact O-N 2.79Å; L767-C770 PolarHBondContact O-N 2.92Å; L767-C770 VanDerWaalsContact O-N 3.16Å; L768-C770 VanDerWaalsContact C-N 3.26Å; L768-C770 PolarHBondContact O-N 2.93Å
771	E	93	Very high	96.2	Very high	75 Å²	75	11.1 Å²	11.1	35%	0.35	6%	0.062	S	C	.	.	H	α-helix	trans	-120	-4.3	-168.4	-58.9	-166.9	-148.6	0	0	114.6	R584 L767 V775	R584-E771 IonicContact CZ-OE1 2.85Å; R584-E771 IonicContact CZ-OE2 3.99Å; R584-E771 IonicContact NE-OE1 3.69Å; R584-E771 PolarHBondContact NE-OE1 3.5Å; R584-E771 IonicContact NH2-OE1 2.8Å; R584-E771 PolarHBondContact NH2-OE1 3.36Å; R584-E771 IonicContact NH2-OE2 3.96Å; R584-E771 PolarHBondContact NH2-OE2 3.12Å; L767-E771 PolarHBondContact O-N 3.42Å; E771-V775 HydrophobicContact CB-CG2 3.89Å
772	G	93.6	Very high	96.2	Very high	18 Å²	18	11.1 Å²	11.1	19%	0.186	6%	0.062	C	C	.	.			trans	91.5	171.9	174.7	0	0	0	0	0	114.7	L768 S774 V775	L768-G772 WeakPolarHBondContact O-CA 3.15Å; L768-G772 PolarHBondContact O-N 3.03Å; G772-S774 PolarHBondContact O-N 3.3Å; G772-V775 WeakPolarHBondContact O-CB 3.2Å; G772-V775 WeakPolarHBondContact O-CG2 3.44Å; G772-V775 PolarHBondContact O-N 3Å
773	I	92.6	Very high	96.3	Very high	50 Å²	50	11 Å²	11	26%	0.256	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-18.7	-174.3	-163.1	166.5	0	0	0	114.7	L700 L703 L768 V775 I776	L700-I773 HydrophobicContact CB-CD1 4.33Å; L700-I773 HydrophobicContact CD1-CD1 4.38Å; L703-I773 HydrophobicContact CD1-CD1 4.42Å; L768-I773 HydrophobicContact CD1-CG1 4.43Å; I773-V775 PolarHBondContact O-N 2.87Å; I773-V775 VanDerWaalsContact O-N 3.12Å; I773-I776 HydrophobicContact CG1-CG1 4.45Å; I773-I776 WeakPolarHBondContact O-CB 3.46Å; I773-I776 WeakPolarHBondContact O-CG1 3.42Å; I773-I776 PolarHBondContact O-N 2.92Å; I773-I776 VanDerWaalsContact O-N 3.12Å
774	S	93.1	Very high	96.3	Very high	17 Å²	17	10.7 Å²	10.7	12%	0.119	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.2	172.1	44.6	0	0	0	0	114.6	G772 I776 F777 Q831	G772-S774 PolarHBondContact O-N 3.3Å; S774-I776 PolarHBondContact O-N 2.73Å; S774-I776 VanDerWaalsContact O-N 3.17Å; S774-F777 WeakPolarHBondContact O-CB 3.17Å; S774-F777 PolarHBondContact O-N 3.28Å; S774-Q831 PolarHBondContact OG-NE2 3.36Å
775	V	95.6	Very high	96.3	Very high	9 Å²	9	15.7 Å²	15.7	6%	0.055	8%	0.082	C	C	.	.	H	α-helix	trans	-55.6	-29.1	174.2	168.8	0	0	0	0	112.2	L767 E771 G772 I773 F777 N778 V779	L767-V775 HydrophobicContact CB-CG1 3.72Å; L767-V775 HydrophobicContact CB-CG2 4.18Å; L767-V775 HydrophobicContact CD1-CG1 4.46Å; E771-V775 HydrophobicContact CB-CG2 3.89Å; G772-V775 WeakPolarHBondContact O-CB 3.2Å; G772-V775 WeakPolarHBondContact O-CG2 3.44Å; G772-V775 PolarHBondContact O-N 3Å; I773-V775 PolarHBondContact O-N 2.87Å; I773-V775 VanDerWaalsContact O-N 3.12Å; V775-F777 PolarHBondContact O-N 3.01Å; V775-N778 WeakPolarHBondContact O-CA 3.31Å; V775-N778 WeakPolarHBondContact O-CB 3.22Å; V775-N778 PolarHBondContact O-N 2.99Å; V775-V779 HydrophobicContact CG1-CG2 4.13Å; V775-V779 WeakPolarHBondContact O-CG2 3.36Å; V775-V779 PolarHBondContact O-N 2.74Å
776	I	97.1	Very high	96.2	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-61.9	-33.3	178.1	-57.3	-56.8	0	0	0	111.7	F748 L751 F752 I764 L768 I773 S774 A780	F748-I776 HydrophobicContact CD1-CB 4.19Å; F748-I776 HydrophobicContact CD1-CG2 3.45Å; F748-I776 VanDerWaalsContact CD1-CG2 3.45Å; F748-I776 HydrophobicContact CE1-CB 4.18Å; F748-I776 HydrophobicContact CE1-CG2 3.59Å; F748-I776 HydrophobicContact CG-CG2 4Å; F748-I776 HydrophobicContact CZ-CG2 4.25Å; L751-I776 HydrophobicContact CB-CD1 4.22Å; L751-I776 HydrophobicContact CD2-CD1 3.8Å; L751-I776 HydrophobicContact CD2-CG1 3.86Å; F752-I776 HydrophobicContact CD2-CD1 3.92Å; F752-I776 HydrophobicContact CE2-CB 4.42Å; F752-I776 HydrophobicContact CE2-CD1 3.74Å; F752-I776 HydrophobicContact CE2-CG2 3.81Å; F752-I776 HydrophobicContact CZ-CG2 4.23Å; I764-I776 HydrophobicContact CG2-CD1 3.96Å; L768-I776 HydrophobicContact CD1-CD1 4.07Å; L768-I776 HydrophobicContact CD1-CG1 4.13Å; I773-I776 HydrophobicContact CG1-CG1 4.45Å; I773-I776 WeakPolarHBondContact O-CB 3.46Å; I773-I776 WeakPolarHBondContact O-CG1 3.42Å; I773-I776 PolarHBondContact O-N 2.92Å; I773-I776 VanDerWaalsContact O-N 3.12Å; S774-I776 PolarHBondContact O-N 2.73Å; S774-I776 VanDerWaalsContact O-N 3.17Å; I776-A780 WeakPolarHBondContact O-CB 3.44Å; I776-A780 PolarHBondContact O-N 3.33Å
777	F	97.7	Very high	96.1	Very high	8 Å²	8	18 Å²	18	4%	0.035	10%	0.097	C	C	.	.	H	α-helix	trans	-68.4	-39.9	171.5	-66.6	-76.4	0	0	0	112.7	K714 Q717 L718 L721 F748 S774 V775 V779 A780 L781 I829 L834	K714-F777 HydrophobicContact CB-CE1 4.39Å; K714-F777 HydrophobicContact CB-CZ 3.85Å; K714-F777 HydrophobicContact CD-CZ 4.13Å; K714-F777 HydrophobicContact CG-CZ 4.31Å; K714-F777 WeakPolarHBondContact O-CE1 3.18Å; Q717-F777 HydrophobicContact CB-CE1 3.61Å; Q717-F777 HydrophobicContact CB-CZ 3.72Å; L718-F777 HydrophobicContact CB-CD1 4.24Å; L718-F777 HydrophobicContact CB-CE1 4.11Å; L718-F777 HydrophobicContact CD1-CD1 4.42Å; L721-F777 HydrophobicContact CD1-CB 4.05Å; L721-F777 HydrophobicContact CD1-CD1 3.65Å; L721-F777 HydrophobicContact CD1-CE1 4.38Å; L721-F777 HydrophobicContact CD1-CG 4.02Å; F748-F777 HydrophobicContact CE1-CD1 4.17Å; F748-F777 HydrophobicContact CE1-CD2 4.46Å; F748-F777 AromaticContact CE1-CE1 3.79Å; F748-F777 HydrophobicContact CE1-CE1 3.79Å; F748-F777 HydrophobicContact CE1-CE2 4.1Å; F748-F777 HydrophobicContact CE1-CG 4.48Å; F748-F777 AromaticContact CE1-CZ 3.73Å; F748-F777 HydrophobicContact CE1-CZ 3.73Å; F748-F777 AromaticContact CZ-CD1 3.9Å; F748-F777 HydrophobicContact CZ-CD1 3.9Å; F748-F777 AromaticContact CZ-CE1 3.56Å; F748-F777 HydrophobicContact CZ-CE1 3.56Å; F748-F777 AromaticContact CZ-CZ 3.99Å; F748-F777 HydrophobicContact CZ-CZ 3.99Å; S774-F777 WeakPolarHBondContact O-CB 3.17Å; S774-F777 PolarHBondContact O-N 3.28Å; V775-F777 PolarHBondContact O-N 3.01Å; F777-V779 VanDerWaalsContact C-N 3.33Å; F777-V779 PolarHBondContact O-N 2.87Å; F777-A780 PolarHBondContact O-N 3.5Å; F777-L781 WeakPolarHBondContact O-CB 3.45Å; F777-L781 WeakPolarHBondContact O-CG 3.46Å; F777-L781 PolarHBondContact O-N 3.17Å; F777-I829 HydrophobicContact CB-CD1 3.51Å; F777-L834 HydrophobicContact CD1-CD2 4.42Å; F777-L834 HydrophobicContact CD2-CD1 4.04Å; F777-L834 HydrophobicContact CD2-CD2 3.83Å; F777-L834 HydrophobicContact CE1-CD2 4.44Å; F777-L834 HydrophobicContact CE2-CD1 4.28Å; F777-L834 HydrophobicContact CE2-CD2 3.87Å; F777-L834 HydrophobicContact CG-CD2 4.13Å; F777-L834 HydrophobicContact CZ-CD2 4.19Å
778	N	96.4	Very high	96.1	Very high	26 Å²	26	19.9 Å²	19.9	14%	0.139	10%	0.104	C	C	.	.	H	α-helix	trans	-59.7	-45.5	176.6	-75.8	57.1	0	0	0	111.1	V775 A782 A824 M827 I829	V775-N778 WeakPolarHBondContact O-CA 3.31Å; V775-N778 WeakPolarHBondContact O-CB 3.22Å; V775-N778 PolarHBondContact O-N 2.99Å; N778-A782 VanDerWaalsContact O-CB 3.29Å; N778-A782 WeakPolarHBondContact O-CB 3.37Å; N778-A782 PolarHBondContact O-N 2.97Å; N778-A824 HydrophobicContact CB-CB 4.21Å; N778-A824 PolarHBondContact ND2-O 2.94Å; N778-M827 PolarHBondContact ND2-O 2.78Å; N778-I829 WeakPolarHBondContact OD1-CD1 3.12Å
779	V	97.4	Very high	96	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-70.8	-44.5	179.5	179.3	0	0	0	0	111.2	F752 M760 I764 V775 F777 L781 A782 L783 M821 A824	F752-V779 HydrophobicContact CD2-CG1 4.21Å; F752-V779 HydrophobicContact CE1-CG1 4.03Å; F752-V779 HydrophobicContact CE2-CB 3.74Å; F752-V779 HydrophobicContact CE2-CG1 3.59Å; F752-V779 HydrophobicContact CZ-CB 3.81Å; F752-V779 HydrophobicContact CZ-CG1 3.5Å; M760-V779 HydrophobicContact CE-CG1 4.08Å; I764-V779 HydrophobicContact CD1-CG1 3.94Å; I764-V779 HydrophobicContact CG1-CG1 4.38Å; I764-V779 HydrophobicContact CG1-CG2 4.11Å; V775-V779 HydrophobicContact CG1-CG2 4.13Å; V775-V779 WeakPolarHBondContact O-CG2 3.36Å; V775-V779 PolarHBondContact O-N 2.74Å; F777-V779 VanDerWaalsContact C-N 3.33Å; F777-V779 PolarHBondContact O-N 2.87Å; V779-L781 PolarHBondContact O-N 3.31Å; V779-A782 PolarHBondContact O-N 3.04Å; V779-L783 HydrophobicContact CG1-CD1 4.11Å; V779-L783 HydrophobicContact CG1-CG 4.42Å; V779-L783 WeakPolarHBondContact O-CB 3.5Å; V779-L783 WeakPolarHBondContact O-CG 3.39Å; V779-L783 PolarHBondContact O-N 2.8Å; V779-M821 HydrophobicContact CG1-CE 3.99Å; V779-M821 HydrophobicContact CG2-CE 4.05Å; V779-M821 HydrophobicContact CG2-SD 4.43Å; V779-A824 HydrophobicContact CG2-CB 4.22Å
780	A	97.7	Very high	95.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.1	-46.1	177.3	0	0	0	0	0	112.1	L718 W747 F752 I776 F777 L783 L784	L718-A780 HydrophobicContact CD1-CB 3.85Å; L718-A780 HydrophobicContact CD2-CB 4.25Å; W747-A780 HydrophobicContact CE3-CB 3.76Å; W747-A780 HydrophobicContact CZ3-CB 3.94Å; F752-A780 HydrophobicContact CZ-CB 4.38Å; I776-A780 WeakPolarHBondContact O-CB 3.44Å; I776-A780 PolarHBondContact O-N 3.33Å; F777-A780 PolarHBondContact O-N 3.5Å; A780-L783 PolarHBondContact O-N 3.06Å; A780-L784 WeakPolarHBondContact O-CB 3.43Å; A780-L784 WeakPolarHBondContact O-CD1 3.43Å; A780-L784 VanDerWaalsContact O-CG 3.25Å; A780-L784 WeakPolarHBondContact O-CG 3.17Å; A780-L784 PolarHBondContact O-N 2.81Å
781	L	97.3	Very high	95.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.8	-36.7	175.2	-68.4	-179.1	0	0	0	112.6	L718 L721 M722 Y725 I726 F777 V779 K785 M827 I829	L718-L781 HydrophobicContact CD1-CD2 3.86Å; L718-L781 HydrophobicContact CD1-CG 4.26Å; L721-L781 HydrophobicContact CB-CD1 3.85Å; L721-L781 HydrophobicContact CB-CD2 3.95Å; L721-L781 HydrophobicContact CB-CG 4.35Å; L721-L781 HydrophobicContact CD1-CD1 4.37Å; L721-L781 HydrophobicContact CD2-CD1 4.48Å; L721-L781 HydrophobicContact CG-CD1 4.47Å; M722-L781 HydrophobicContact CG-CD2 3.96Å; Y725-L781 HydrophobicContact CD2-CD1 3.93Å; Y725-L781 HydrophobicContact CE2-CD1 4.49Å; I726-L781 HydrophobicContact CD1-CD2 4.44Å; F777-L781 WeakPolarHBondContact O-CB 3.45Å; F777-L781 WeakPolarHBondContact O-CG 3.46Å; F777-L781 PolarHBondContact O-N 3.17Å; V779-L781 PolarHBondContact O-N 3.31Å; L781-K785 WeakPolarHBondContact O-CB 3.33Å; L781-K785 PolarHBondContact O-N 3.48Å; L781-M827 HydrophobicContact CB-CE 3.7Å; L781-M827 HydrophobicContact CB-SD 3.57Å; L781-M827 VanDerWaalsContact CB-SD 3.57Å; L781-M827 HydrophobicContact CD1-CE 3.82Å; L781-M827 HydrophobicContact CG-CE 4.42Å; L781-I829 HydrophobicContact CD1-CD1 3.63Å; L781-I829 HydrophobicContact CD1-CG1 4.24Å
782	A	97.3	Very high	96	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.9	-41	176.4	0	0	0	0	0	111.6	N778 V779 K785 T786 L820 L823 A824 M827	N778-A782 VanDerWaalsContact O-CB 3.29Å; N778-A782 WeakPolarHBondContact O-CB 3.37Å; N778-A782 PolarHBondContact O-N 2.97Å; V779-A782 PolarHBondContact O-N 3.04Å; A782-K785 PolarHBondContact O-N 3.18Å; A782-T786 WeakPolarHBondContact O-CB 3.32Å; A782-T786 PolarHBondContact O-N 3.05Å; A782-T786 PolarHBondContact O-OG1 3.44Å; A782-L820 HydrophobicContact CB-CD1 3.75Å; A782-L820 HydrophobicContact CB-CG 4.43Å; A782-L823 HydrophobicContact CB-CB 4.36Å; A782-L823 HydrophobicContact CB-CD2 4.02Å; A782-L823 HydrophobicContact CB-CG 3.97Å; A782-A824 HydrophobicContact CB-CB 3.85Å; A782-M827 HydrophobicContact CB-SD 4.41Å
783	L	97.3	Very high	96.1	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-53.5	174.1	-75.7	169.4	0	0	0	111.2	F752 F756 M760 V779 A780 K785 T786 S787 V807 Y811 L820	F752-L783 HydrophobicContact CD1-CD1 4.08Å; F752-L783 HydrophobicContact CE1-CD1 3.43Å; F752-L783 VanDerWaalsContact CE1-CD1 3.43Å; F752-L783 HydrophobicContact CZ-CD1 4.17Å; F756-L783 HydrophobicContact CE1-CD1 4.05Å; F756-L783 HydrophobicContact CE1-CD2 3.88Å; F756-L783 HydrophobicContact CZ-CD1 3.85Å; F756-L783 HydrophobicContact CZ-CD2 4.38Å; M760-L783 HydrophobicContact CE-CD1 4.29Å; M760-L783 HydrophobicContact CE-CD2 4.19Å; V779-L783 HydrophobicContact CG1-CD1 4.11Å; V779-L783 HydrophobicContact CG1-CG 4.42Å; V779-L783 WeakPolarHBondContact O-CB 3.5Å; V779-L783 WeakPolarHBondContact O-CG 3.39Å; V779-L783 PolarHBondContact O-N 2.8Å; A780-L783 PolarHBondContact O-N 3.06Å; L783-K785 VanDerWaalsContact C-N 3.27Å; L783-K785 PolarHBondContact O-N 3.03Å; L783-T786 PolarHBondContact O-N 3.38Å; L783-S787 WeakPolarHBondContact O-CB 3.48Å; L783-S787 PolarHBondContact O-N 3.26Å; L783-S787 PolarHBondContact O-OG 2.85Å; L783-S787 VanDerWaalsContact O-OG 3.1Å; L783-V807 HydrophobicContact CD2-CG1 4.23Å; L783-Y811 HydrophobicContact CD2-CD2 3.89Å; L783-Y811 HydrophobicContact CD2-CE2 3.24Å; L783-L820 HydrophobicContact CD2-CD1 3.99Å; L783-L820 HydrophobicContact CD2-CD2 3.51Å; L783-L820 HydrophobicContact CD2-CG 4.41Å; L783-L820 HydrophobicContact CG-CD1 4.18Å; L783-L820 HydrophobicContact CG-CD2 4.01Å
784	L	97.2	Very high	96.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.7	-37.4	178.9	-71.8	164.1	0	0	0	112.1	L718 M722 I726 L729 F733 Y743 W747 A780 K788 L791 F803	L718-L784 HydrophobicContact CD1-CD1 4.25Å; M722-L784 HydrophobicContact CE-CD1 4.03Å; M722-L784 HydrophobicContact CE-CD2 4.22Å; M722-L784 HydrophobicContact CG-CD1 3.9Å; M722-L784 HydrophobicContact SD-CD1 3.64Å; I726-L784 HydrophobicContact CD1-CB 3.74Å; L729-L784 HydrophobicContact CD2-CB 4.06Å; L729-L784 HydrophobicContact CD2-CD2 4.13Å; L729-L784 WeakPolarHBondContact CD2-O 3.41Å; F733-L784 HydrophobicContact CE2-CD2 4.17Å; F733-L784 HydrophobicContact CZ-CD2 4.43Å; Y743-L784 HydrophobicContact CE2-CD2 4.15Å; W747-L784 HydrophobicContact CH2-CD2 4.39Å; W747-L784 HydrophobicContact CH2-CG 4.37Å; W747-L784 HydrophobicContact CZ3-CD1 4.41Å; W747-L784 HydrophobicContact CZ3-CG 4.34Å; A780-L784 WeakPolarHBondContact O-CB 3.43Å; A780-L784 WeakPolarHBondContact O-CD1 3.43Å; A780-L784 VanDerWaalsContact O-CG 3.25Å; A780-L784 WeakPolarHBondContact O-CG 3.17Å; A780-L784 PolarHBondContact O-N 2.81Å; L784-K788 WeakPolarHBondContact O-CA 3.42Å; L784-K788 WeakPolarHBondContact O-CB 3.22Å; L784-K788 PolarHBondContact O-N 3.45Å; L784-K788 VanDerWaalsContact O-N 3.14Å; L784-L791 HydrophobicContact CD2-CD1 4.43Å; L784-F803 HydrophobicContact CD2-CE1 3.85Å; L784-F803 HydrophobicContact CD2-CZ 3.58Å
785	K	96.3	Very high	96.1	Very high	105 Å²	105	36 Å²	36	46%	0.457	18%	0.182	S	C	.	.	H	α-helix	trans	-74.5	-34.3	178.8	-173.5	172	178.5	178.8	0	113.2	I726 L781 A782 L783 K788	I726-K785 HydrophobicContact CD1-CB 3.83Å; I726-K785 HydrophobicContact CG1-CB 4.42Å; L781-K785 WeakPolarHBondContact O-CB 3.33Å; L781-K785 PolarHBondContact O-N 3.48Å; A782-K785 PolarHBondContact O-N 3.18Å; L783-K785 VanDerWaalsContact C-N 3.27Å; L783-K785 PolarHBondContact O-N 3.03Å; K785-K788 WeakPolarHBondContact O-CB 3.27Å
786	T	96.3	Very high	96	Very high	49 Å²	49	39.8 Å²	39.8	30%	0.301	20%	0.198	S	C	.	.	H	α-helix	trans	-75	-34.1	178	-54.4	0	0	0	0	111.7	A782 L783 Y811 L823	A782-T786 WeakPolarHBondContact O-CB 3.32Å; A782-T786 PolarHBondContact O-N 3.05Å; A782-T786 PolarHBondContact O-OG1 3.44Å; L783-T786 PolarHBondContact O-N 3.38Å; T786-Y811 WeakPolarHBondContact CG2-OH 3.46Å; T786-L823 WeakPolarHBondContact OG1-CD2 3.41Å
787	S	95.7	Very high	95.6	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-92.9	6	179.5	-57.8	0	0	0	0	114	L783 D789 D790 L791	L783-S787 WeakPolarHBondContact O-CB 3.48Å; L783-S787 PolarHBondContact O-N 3.26Å; L783-S787 PolarHBondContact O-OG 2.85Å; L783-S787 VanDerWaalsContact O-OG 3.1Å; S787-D789 PolarHBondContact O-N 2.7Å; S787-D790 PolarHBondContact O-N 2.8Å; S787-L791 WeakPolarHBondContact O-CB 3.23Å; S787-L791 WeakPolarHBondContact O-CD1 3.17Å; S787-L791 WeakPolarHBondContact O-CG 3.33Å; S787-L791 PolarHBondContact O-N 3.25Å
788	K	95.8	Very high	95.4	Very high	43 Å²	43	47.7 Å²	47.7	19%	0.187	24%	0.241	C	C	.	.	H	α-helix	trans	-57.7	-54.1	-166.2	178.2	-149.4	159.8	-168.1	0	112.7	I726 D728 L729 L784 K785 D790 L791 L792	I726-K788 HydrophobicContact CG2-CD 4.16Å; I726-K788 HydrophobicContact CG2-CG 3.94Å; D728-K788 VanDerWaalsContact OD1-CE 3.24Å; D728-K788 WeakPolarHBondContact OD1-CE 3.31Å; D728-K788 IonicContact OD1-NZ 2.6Å; D728-K788 WeakPolarHBondContact OD2-CE 3.3Å; D728-K788 IonicContact OD2-NZ 2.7Å; D728-K788 PolarHBondContact OD2-NZ 3.44Å; L729-K788 HydrophobicContact CB-CG 4.3Å; L784-K788 WeakPolarHBondContact O-CA 3.42Å; L784-K788 WeakPolarHBondContact O-CB 3.22Å; L784-K788 PolarHBondContact O-N 3.45Å; L784-K788 VanDerWaalsContact O-N 3.14Å; K785-K788 WeakPolarHBondContact O-CB 3.27Å; K788-D790 PolarHBondContact O-N 3.25Å; K788-L791 PolarHBondContact O-N 2.98Å; K788-L792 HydrophobicContact CG-CD1 4.25Å; K788-L792 WeakPolarHBondContact O-CG 3.29Å; K788-L792 PolarHBondContact O-N 3.14Å
789	D	95.8	Very high	95.3	Very high	100 Å²	100	46.5 Å²	46.5	54%	0.535	24%	0.235	S	C	.	.	H	α-helix	trans	-75.2	-20.4	-170.3	-56.3	-41.8	0	0	0	111.6	S787 Q793	S787-D789 PolarHBondContact O-N 2.7Å; D789-Q793 PolarHBondContact O-NE2 3.15Å
790	D	94.9	Very high	95	Very high	60 Å²	60	49 Å²	49	32%	0.321	25%	0.248	S	C	.	.	H	α-helix	trans	-69.9	-52.8	167.1	-49.2	-49.5	0	0	0	110.1	S787 K788 L792 Q793 F802 R810	S787-D790 PolarHBondContact O-N 2.8Å; K788-D790 PolarHBondContact O-N 3.25Å; D790-L792 VanDerWaalsContact C-N 3.35Å; D790-L792 PolarHBondContact O-N 2.86Å; D790-Q793 PolarHBondContact O-N 3.39Å; D790-Q793 VanDerWaalsContact O-N 3.12Å; D790-F802 HydrophobicContact CB-CE1 4.21Å; D790-F802 HydrophobicContact CB-CE2 3.62Å; D790-F802 HydrophobicContact CB-CZ 3.43Å; D790-F802 VanDerWaalsContact CB-CZ 3.43Å; D790-R810 IonicContact OD2-CZ 2.77Å; D790-R810 IonicContact OD2-NH1 3.05Å; D790-R810 PolarHBondContact OD2-NH1 3.46Å
791	L	95.7	Very high	94.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.7	-34.1	-177.7	-74	163.8	0	0	0	113.5	L729 H732 F733 L784 S787 K788 Q793 T794 A799 F802 F803	L729-L791 HydrophobicContact CD1-CB 3.66Å; L729-L791 HydrophobicContact CD1-CD1 4.37Å; L729-L791 HydrophobicContact CD2-CD1 4.33Å; H732-L791 PolarHBondContact CD2-O 3.44Å; H732-L791 PolarHBondContact NE2-O 2.63Å; F733-L791 HydrophobicContact CE1-CB 4.35Å; F733-L791 HydrophobicContact CZ-CD1 4.2Å; F733-L791 HydrophobicContact CZ-CD2 4.35Å; L784-L791 HydrophobicContact CD2-CD1 4.43Å; S787-L791 WeakPolarHBondContact O-CB 3.23Å; S787-L791 WeakPolarHBondContact O-CD1 3.17Å; S787-L791 WeakPolarHBondContact O-CG 3.33Å; S787-L791 PolarHBondContact O-N 3.25Å; K788-L791 PolarHBondContact O-N 2.98Å; L791-Q793 PolarHBondContact O-N 3.32Å; L791-Q793 VanDerWaalsContact O-N 3.13Å; L791-T794 PolarHBondContact O-N 3.18Å; L791-T794 PolarHBondContact O-OG1 2.89Å; L791-A799 HydrophobicContact CD2-CB 4.28Å; L791-F802 HydrophobicContact CD2-CB 4.27Å; L791-F802 HydrophobicContact CD2-CD1 3.7Å; L791-F802 HydrophobicContact CD2-CE1 4.43Å; L791-F802 HydrophobicContact CD2-CG 4.19Å; L791-F802 HydrophobicContact CG-CD1 4Å; L791-F802 HydrophobicContact CG-CE1 4.25Å; L791-F803 HydrophobicContact CD1-CE1 3.92Å; L791-F803 HydrophobicContact CD1-CZ 3.7Å; L791-F803 HydrophobicContact CD2-CD2 4.43Å; L791-F803 HydrophobicContact CD2-CE1 4.35Å; L791-F803 HydrophobicContact CD2-CE2 3.95Å; L791-F803 HydrophobicContact CD2-CZ 3.9Å; L791-F803 HydrophobicContact CG-CZ 4.49Å
792	L	96.3	Very high	94.6	Very high	54 Å²	54	54.1 Å²	54.1	28%	0.283	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.6	175.4	-77.7	178.1	0	0	0	114	L729 H732 K788 D790	L729-L792 HydrophobicContact CD1-CD2 4.29Å; L729-L792 HydrophobicContact CD1-CG 4.35Å; H732-L792 HydrophobicContact CB-CD2 3.61Å; K788-L792 HydrophobicContact CG-CD1 4.25Å; K788-L792 WeakPolarHBondContact O-CG 3.29Å; K788-L792 PolarHBondContact O-N 3.14Å; D790-L792 VanDerWaalsContact C-N 3.35Å; D790-L792 PolarHBondContact O-N 2.86Å
793	Q	94.5	Very high	94.4	Very high	169 Å²	169	54.8 Å²	54.8	79%	0.79	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-5.9	177	-63.4	173.8	80.5	0	0	112.8	D789 D790 L791	D789-Q793 PolarHBondContact O-NE2 3.15Å; D790-Q793 PolarHBondContact O-N 3.39Å; D790-Q793 VanDerWaalsContact O-N 3.12Å; L791-Q793 PolarHBondContact O-N 3.32Å; L791-Q793 VanDerWaalsContact O-N 3.13Å
794	T	94.4	Very high	94	Very high	27 Å²	27	61.7 Å²	61.7	17%	0.166	30%	0.299	C	S	.	.			trans	-93.9	149.1	-178.3	59.8	0	0	0	0	113.1	H732 L791 A799	H732-T794 PolarHBondContact CE1-O 2.94Å; H732-T794 PolarHBondContact NE2-O 3.13Å; L791-T794 PolarHBondContact O-N 3.18Å; L791-T794 PolarHBondContact O-OG1 2.89Å; T794-A799 WeakPolarHBondContact OG1-CB 3.42Å
795	D	92.4	Very high	93.7	Very high	103 Å²	103	61.9 Å²	61.9	55%	0.551	30%	0.301	S	S	*	.			trans	-87	-167.9	164	66.4	7.3	0	0	0	111.1	E797 G798 A799	D795-E797 PolarHBondContact OD1-N 3.09Å; D795-G798 PolarHBondContact OD1-N 3.28Å; D795-A799 VanDerWaalsContact O-CB 3.27Å; D795-A799 WeakPolarHBondContact O-CB 3.44Å; D795-A799 PolarHBondContact O-N 3.16Å
796	F	91.9	Very high	93.5	Very high	89 Å²	89	59.1 Å²	59.1	39%	0.39	29%	0.294	S	S	.	.	H	α-helix	trans	-61	-47.2	-176.1	-177.3	-91.2	0	0	0	112.8	V736 L738 M742 L800	V736-F796 VanDerWaalsContact CG1-CA 3.48Å; V736-F796 HydrophobicContact CG1-CB 3.71Å; V736-F796 HydrophobicContact CG1-CD2 4.34Å; V736-F796 VanDerWaalsContact CG1-N 3.31Å; L738-F796 HydrophobicContact CB-CD2 4.43Å; L738-F796 HydrophobicContact CD1-CD2 4.34Å; L738-F796 HydrophobicContact CD1-CE2 4.14Å; M742-F796 HydrophobicContact CE-CE2 4.29Å; M742-F796 HydrophobicContact CE-CZ 4.48Å; M742-F796 HydrophobicContact SD-CE2 3.6Å; M742-F796 VanDerWaalsContact SD-CE2 3.6Å; M742-F796 HydrophobicContact SD-CZ 3.75Å; F796-L800 HydrophobicContact CD1-CD1 4.02Å; F796-L800 HydrophobicContact CE1-CD1 3.5Å; F796-L800 HydrophobicContact CZ-CD1 3.83Å; F796-L800 WeakPolarHBondContact O-CG 3.41Å; F796-L800 PolarHBondContact O-N 2.86Å
797	E	90.5	Very high	93.3	Very high	154 Å²	154	56.9 Å²	56.9	72%	0.72	28%	0.28	S	S	*	.	H	α-helix	trans	-73.2	-41.6	-179.9	-173.6	172.9	174.7	0	0	111	D795 A799 L800 K801	D795-E797 PolarHBondContact OD1-N 3.09Å; E797-A799 VanDerWaalsContact C-N 3.35Å; E797-A799 PolarHBondContact O-N 3.04Å; E797-L800 PolarHBondContact O-N 3.33Å; E797-K801 WeakPolarHBondContact O-CB 3.39Å; E797-K801 PolarHBondContact O-N 2.98Å
798	G	92.5	Very high	93.1	Very high	22 Å²	22	57 Å²	57	23%	0.227	28%	0.28	C	S	.	.	H	α-helix	trans	-56.8	-44.9	174.8	0	0	0	0	0	112.5	D795 K801 F802	D795-G798 PolarHBondContact OD1-N 3.28Å; G798-K801 PolarHBondContact O-N 3.04Å; G798-F802 VanDerWaalsContact O-CB 3.22Å; G798-F802 WeakPolarHBondContact O-CB 3.28Å; G798-F802 PolarHBondContact O-N 3.48Å
799	A	93.8	Very high	92.9	Very high	1 Å²	1	58 Å²	58	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-64.4	-43	178.6	0	0	0	0	0	112.1	L738 L791 T794 D795 E797 F802 F803	L738-A799 HydrophobicContact CD2-CB 3.56Å; L791-A799 HydrophobicContact CD2-CB 4.28Å; T794-A799 WeakPolarHBondContact OG1-CB 3.42Å; D795-A799 VanDerWaalsContact O-CB 3.27Å; D795-A799 WeakPolarHBondContact O-CB 3.44Å; D795-A799 PolarHBondContact O-N 3.16Å; E797-A799 VanDerWaalsContact C-N 3.35Å; E797-A799 PolarHBondContact O-N 3.04Å; A799-F802 PolarHBondContact O-N 3.47Å; A799-F803 WeakPolarHBondContact O-CD2 3.39Å; A799-F803 PolarHBondContact O-N 3.18Å
800	L	91.8	Very high	92.7	Very high	53 Å²	53	58.1 Å²	58.1	28%	0.277	28%	0.278	S	S	.	.	H	α-helix	trans	-67.1	-40.1	176.5	-68.6	175.4	0	0	0	112.1	L738 M742 F796 E797 F802 R804	L738-L800 HydrophobicContact CD1-CD2 3.78Å; L738-L800 HydrophobicContact CD1-CG 4.09Å; M742-L800 HydrophobicContact CB-CD2 4.12Å; F796-L800 HydrophobicContact CD1-CD1 4.02Å; F796-L800 HydrophobicContact CE1-CD1 3.5Å; F796-L800 HydrophobicContact CZ-CD1 3.83Å; F796-L800 WeakPolarHBondContact O-CG 3.41Å; F796-L800 PolarHBondContact O-N 2.86Å; E797-L800 PolarHBondContact O-N 3.33Å; L800-F802 VanDerWaalsContact C-N 3.34Å; L800-R804 VanDerWaalsContact O-CB 3.28Å; L800-R804 WeakPolarHBondContact O-CB 3.47Å; L800-R804 PolarHBondContact O-N 3.19Å; L800-R804 VanDerWaalsContact O-N 3.14Å
801	K	91.8	Very high	92.6	Very high	71 Å²	71	55.4 Å²	55.4	31%	0.309	26%	0.263	S	S	.	.	H	α-helix	trans	-60.4	-44.6	170.8	179.8	173.1	166.2	159.8	0	110.6	D539 E797 G798 R804 V805	D539-K801 WeakPolarHBondContact OD1-CE 3.4Å; D539-K801 IonicContact OD1-NZ 3.42Å; D539-K801 PolarHBondContact OD1-NZ 3.08Å; D539-K801 IonicContact OD2-NZ 2.73Å; D539-K801 PolarHBondContact OD2-NZ 3.13Å; E797-K801 WeakPolarHBondContact O-CB 3.39Å; E797-K801 PolarHBondContact O-N 2.98Å; G798-K801 PolarHBondContact O-N 3.04Å; K801-R804 PolarHBondContact O-N 2.84Å; K801-V805 PolarHBondContact O-N 3.23Å
802	F	93.9	Very high	92.2	Very high	35 Å²	35	61.9 Å²	61.9	15%	0.154	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-48.1	-179.2	-167	-87.4	0	0	0	112.6	D790 L791 G798 A799 L800 R804 P806 V807	D790-F802 HydrophobicContact CB-CE1 4.21Å; D790-F802 HydrophobicContact CB-CE2 3.62Å; D790-F802 HydrophobicContact CB-CZ 3.43Å; D790-F802 VanDerWaalsContact CB-CZ 3.43Å; L791-F802 HydrophobicContact CD2-CB 4.27Å; L791-F802 HydrophobicContact CD2-CD1 3.7Å; L791-F802 HydrophobicContact CD2-CE1 4.43Å; L791-F802 HydrophobicContact CD2-CG 4.19Å; L791-F802 HydrophobicContact CG-CD1 4Å; L791-F802 HydrophobicContact CG-CE1 4.25Å; G798-F802 VanDerWaalsContact O-CB 3.22Å; G798-F802 WeakPolarHBondContact O-CB 3.28Å; G798-F802 PolarHBondContact O-N 3.48Å; A799-F802 PolarHBondContact O-N 3.47Å; L800-F802 VanDerWaalsContact C-N 3.34Å; F802-R804 VanDerWaalsContact C-N 3.28Å; F802-R804 PolarHBondContact O-N 3.17Å; F802-P806 HydrophobicContact CD2-CB 3.85Å; F802-P806 HydrophobicContact CD2-CG 3.84Å; F802-P806 HydrophobicContact CE1-CB 4.5Å; F802-P806 HydrophobicContact CE2-CB 3.78Å; F802-P806 HydrophobicContact CE2-CG 4.18Å; F802-P806 HydrophobicContact CG-CB 4.25Å; F802-P806 HydrophobicContact CG-CG 4.33Å; F802-P806 HydrophobicContact CZ-CB 4.12Å; F802-P806 WeakPolarHBondContact O-CD 3.47Å; F802-V807 HydrophobicContact CD1-CG2 3.44Å; F802-V807 VanDerWaalsContact CD1-CG2 3.44Å; F802-V807 HydrophobicContact CE1-CG2 3.33Å; F802-V807 HydrophobicContact CZ-CG2 4.42Å; F802-V807 WeakPolarHBondContact O-CG2 3.2Å; F802-V807 PolarHBondContact O-N 2.73Å
803	F	93.8	Very high	91.8	Very high	15 Å²	15	62 Å²	62	7%	0.066	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-30.1	174.8	-75.2	-56.2	0	0	0	113.6	F733 L738 Y743 W747 L784 L791 A799 V807 P808	F733-F803 HydrophobicContact CE2-CE2 4.09Å; F733-F803 HydrophobicContact CE2-CZ 4.02Å; F733-F803 AromaticContact CZ-CE2 3.8Å; F733-F803 HydrophobicContact CZ-CE2 3.8Å; F733-F803 AromaticContact CZ-CZ 3.74Å; F733-F803 HydrophobicContact CZ-CZ 3.74Å; L738-F803 HydrophobicContact CD2-CE2 4.24Å; Y743-F803 HydrophobicContact CD1-CD2 4.28Å; Y743-F803 AromaticContact CD1-CE2 3.87Å; Y743-F803 HydrophobicContact CD1-CE2 3.87Å; Y743-F803 HydrophobicContact CD1-CZ 4.49Å; Y743-F803 HydrophobicContact CD2-CD2 4.35Å; Y743-F803 HydrophobicContact CD2-CE1 4.28Å; Y743-F803 HydrophobicContact CD2-CE2 4.01Å; Y743-F803 AromaticContact CD2-CZ 3.97Å; Y743-F803 HydrophobicContact CD2-CZ 3.97Å; Y743-F803 HydrophobicContact CE1-CE2 4.34Å; Y743-F803 HydrophobicContact CE2-CE2 4.48Å; Y743-F803 HydrophobicContact CE2-CZ 4.19Å; Y743-F803 AromaticContact CG-CD2 3.84Å; Y743-F803 HydrophobicContact CG-CD2 3.84Å; Y743-F803 AromaticContact CG-CE2 3.69Å; Y743-F803 HydrophobicContact CG-CE2 3.69Å; Y743-F803 HydrophobicContact CG-CG 4.41Å; Y743-F803 HydrophobicContact CG-CZ 4.14Å; W747-F803 HydrophobicContact CH2-CD1 4.02Å; W747-F803 AromaticContact CH2-CE1 3.73Å; W747-F803 HydrophobicContact CH2-CE1 3.73Å; W747-F803 HydrophobicContact CH2-CZ 4.48Å; W747-F803 AromaticContact CZ2-CD1 3.75Å; W747-F803 HydrophobicContact CZ2-CD1 3.75Å; W747-F803 AromaticContact CZ2-CE1 3.97Å; W747-F803 HydrophobicContact CZ2-CE1 3.97Å; L784-F803 HydrophobicContact CD2-CE1 3.85Å; L784-F803 HydrophobicContact CD2-CZ 3.58Å; L791-F803 HydrophobicContact CD1-CE1 3.92Å; L791-F803 HydrophobicContact CD1-CZ 3.7Å; L791-F803 HydrophobicContact CD2-CD2 4.43Å; L791-F803 HydrophobicContact CD2-CE1 4.35Å; L791-F803 HydrophobicContact CD2-CE2 3.95Å; L791-F803 HydrophobicContact CD2-CZ 3.9Å; L791-F803 HydrophobicContact CG-CZ 4.49Å; A799-F803 WeakPolarHBondContact O-CD2 3.39Å; A799-F803 PolarHBondContact O-N 3.18Å; F803-V807 HydrophobicContact CD1-CG2 4.11Å; F803-P808 WeakPolarHBondContact O-CD 3.39Å
804	R	89.1	Confident	91.5	Very high	145 Å²	145	56.6 Å²	56.6	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-80.8	-34	-177.7	-171.7	179.3	74	-156.4	1.9	113.7	L800 K801 F802	L800-R804 VanDerWaalsContact O-CB 3.28Å; L800-R804 WeakPolarHBondContact O-CB 3.47Å; L800-R804 PolarHBondContact O-N 3.19Å; L800-R804 VanDerWaalsContact O-N 3.14Å; K801-R804 PolarHBondContact O-N 2.84Å; F802-R804 VanDerWaalsContact C-N 3.28Å; F802-R804 PolarHBondContact O-N 3.17Å
805	V	89.9	Confident	91.2	Very high	5 Å²	5	60.6 Å²	60.6	3%	0.03	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-68.6	-167.2	-177.3	0	0	0	0	112.9	P541 K801 V807 K809	P541-V805 HydrophobicContact CB-CG2 4.15Å; K801-V805 PolarHBondContact O-N 3.23Å; V805-V807 PolarHBondContact O-N 2.81Å; V805-K809 HydrophobicContact CG1-CD 4.11Å; V805-K809 VanDerWaalsContact CG1-NZ 3.34Å; V805-K809 WeakPolarHBondContact O-CG 3.47Å; V805-K809 PolarHBondContact O-N 3.4Å
806	P	92.1	Very high	91.2	Very high	47 Å²	47	58.3 Å²	58.3	31%	0.305	27%	0.272	S	S	.	.	H	α-helix	trans	-52	-48.5	173.4	-32	33.7	0	0	0	115.9	F802 K809 R810	F802-P806 HydrophobicContact CD2-CB 3.85Å; F802-P806 HydrophobicContact CD2-CG 3.84Å; F802-P806 HydrophobicContact CE1-CB 4.5Å; F802-P806 HydrophobicContact CE2-CB 3.78Å; F802-P806 HydrophobicContact CE2-CG 4.18Å; F802-P806 HydrophobicContact CG-CB 4.25Å; F802-P806 HydrophobicContact CG-CG 4.33Å; F802-P806 HydrophobicContact CZ-CB 4.12Å; F802-P806 WeakPolarHBondContact O-CD 3.47Å; P806-K809 PolarHBondContact O-N 2.67Å; P806-K809 VanDerWaalsContact O-N 3.15Å; P806-R810 PolarHBondContact O-N 3.26Å
807	V	92.6	Very high	91.3	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-50.8	-170.7	167.2	0	0	0	0	112.4	F756 L783 F802 F803 V805 K809 Y811	F756-V807 HydrophobicContact CE1-CG1 3.79Å; F756-V807 HydrophobicContact CZ-CG1 3.75Å; L783-V807 HydrophobicContact CD2-CG1 4.23Å; F802-V807 HydrophobicContact CD1-CG2 3.44Å; F802-V807 VanDerWaalsContact CD1-CG2 3.44Å; F802-V807 HydrophobicContact CE1-CG2 3.33Å; F802-V807 HydrophobicContact CZ-CG2 4.42Å; F802-V807 WeakPolarHBondContact O-CG2 3.2Å; F802-V807 PolarHBondContact O-N 2.73Å; F803-V807 HydrophobicContact CD1-CG2 4.11Å; V805-V807 PolarHBondContact O-N 2.81Å; V807-K809 PolarHBondContact O-N 2.74Å; V807-Y811 HydrophobicContact CG1-CE2 4.34Å; V807-Y811 WeakPolarHBondContact O-CD2 3.15Å; V807-Y811 VanDerWaalsContact O-CE2 3.28Å; V807-Y811 WeakPolarHBondContact O-CE2 3.46Å
808	P	92.1	Very high	91.4	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.019	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-38.7	174.1	-26.5	36.5	0	0	0	114.2	L542 K755 F803 R810 Y811	L542-P808 HydrophobicContact CB-CB 4.33Å; L542-P808 HydrophobicContact CD1-CB 4.39Å; K755-P808 WeakPolarHBondContact O-CB 3.25Å; F803-P808 WeakPolarHBondContact O-CD 3.39Å; P808-R810 PolarHBondContact O-N 3.23Å; P808-Y811 PolarHBondContact O-N 2.62Å
809	K	90.6	Very high	91.5	Very high	65 Å²	65	54.3 Å²	54.3	28%	0.283	25%	0.246	S	C	.	.	H	α-helix	trans	-61	-42.4	-178.3	-75.3	176.5	-178.6	179.5	0	111.9	N538 E540 L542 V805 P806 V807 Y811 R812	N538-K809 PolarHBondContact O-NZ 3.32Å; E540-K809 WeakPolarHBondContact O-CE 3.49Å; E540-K809 PolarHBondContact O-NZ 2.93Å; L542-K809 HydrophobicContact CB-CG 4.46Å; L542-K809 HydrophobicContact CD1-CG 4.21Å; L542-K809 HydrophobicContact CG-CG 3.97Å; V805-K809 HydrophobicContact CG1-CD 4.11Å; V805-K809 VanDerWaalsContact CG1-NZ 3.34Å; V805-K809 WeakPolarHBondContact O-CG 3.47Å; V805-K809 PolarHBondContact O-N 3.4Å; P806-K809 PolarHBondContact O-N 2.67Å; P806-K809 VanDerWaalsContact O-N 3.15Å; V807-K809 PolarHBondContact O-N 2.74Å; K809-Y811 PolarHBondContact O-N 2.66Å; K809-Y811 VanDerWaalsContact O-N 3.08Å; K809-R812 WeakPolarHBondContact O-CB 3.34Å; K809-R812 PolarHBondContact O-N 3.03Å
810	R	92	Very high	91.6	Very high	101 Å²	101	54.4 Å²	54.4	38%	0.381	25%	0.246	S	C	.	.	H	α-helix	trans	-54.1	-30.6	179.9	-166	173.6	-169.7	155.1	1.6	113.9	D790 P806 P808 N816	D790-R810 IonicContact OD2-CZ 2.77Å; D790-R810 IonicContact OD2-NH1 3.05Å; D790-R810 PolarHBondContact OD2-NH1 3.46Å; P806-R810 PolarHBondContact O-N 3.26Å; P808-R810 PolarHBondContact O-N 3.23Å; R810-N816 VanDerWaalsContact O-CB 3.26Å; R810-N816 WeakPolarHBondContact O-CB 3.39Å; R810-N816 PolarHBondContact O-ND2 3.08Å
811	Y	93.3	Very high	91.8	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.016	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	14.7	-178	-53.1	-69.8	0	0	0	114.1	F756 M760 L783 T786 V807 P808 K809 S813 N816 L820	F756-Y811 HydrophobicContact CD1-CD2 4.31Å; F756-Y811 HydrophobicContact CE1-CD2 4.1Å; M760-Y811 HydrophobicContact SD-CD2 4.15Å; M760-Y811 HydrophobicContact SD-CG 3.82Å; L783-Y811 HydrophobicContact CD2-CD2 3.89Å; L783-Y811 HydrophobicContact CD2-CE2 3.24Å; T786-Y811 WeakPolarHBondContact CG2-OH 3.46Å; V807-Y811 HydrophobicContact CG1-CE2 4.34Å; V807-Y811 WeakPolarHBondContact O-CD2 3.15Å; V807-Y811 VanDerWaalsContact O-CE2 3.28Å; V807-Y811 WeakPolarHBondContact O-CE2 3.46Å; P808-Y811 PolarHBondContact O-N 2.62Å; K809-Y811 PolarHBondContact O-N 2.66Å; K809-Y811 VanDerWaalsContact O-N 3.08Å; Y811-S813 VanDerWaalsContact C-N 3.27Å; Y811-N816 HydrophobicContact CD1-CB 4.07Å; Y811-L820 HydrophobicContact CD1-CB 4.1Å; Y811-L820 HydrophobicContact CD1-CD2 3.85Å; Y811-L820 HydrophobicContact CD1-CG 4.48Å; Y811-L820 HydrophobicContact CD2-CD2 4.39Å; Y811-L820 HydrophobicContact CE1-CB 3.83Å; Y811-L820 HydrophobicContact CE1-CD1 4.02Å; Y811-L820 HydrophobicContact CE1-CD2 3.75Å; Y811-L820 HydrophobicContact CE1-CG 4.07Å; Y811-L820 HydrophobicContact CE2-CD2 4.33Å; Y811-L820 HydrophobicContact CG-CD2 4.19Å
812	R	88.3	Confident	91.9	Very high	136 Å²	136	55 Å²	55	51%	0.513	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-26.5	169.2	-171.4	176.1	179.6	135.7	5.5	112.3	P757 K809	P757-R812 HydrophobicContact CG-CB 4.2Å; K809-R812 WeakPolarHBondContact O-CB 3.34Å; K809-R812 PolarHBondContact O-N 3.03Å
813	S	87.4	Confident	92	Very high	56 Å²	56	55.4 Å²	55.4	39%	0.392	25%	0.252	S	S	.	.	S	Bend	trans	-76.3	126.3	168.1	170.3	0	0	0	0	110.5	Y811 E815 N816 A817	Y811-S813 VanDerWaalsContact C-N 3.27Å; S813-E815 PolarHBondContact O-N 2.82Å; S813-E815 PolarHBondContact OG-N 2.92Å; S813-N816 PolarHBondContact O-N 2.79Å; S813-A817 PolarHBondContact O-N 2.89Å; S813-A817 VanDerWaalsContact O-N 3.09Å
814	E	87.1	Confident	92.1	Very high	55 Å²	55	54.8 Å²	54.8	26%	0.257	25%	0.25	S	C	.	.	H	α-helix	trans	-54.3	-33.5	173.3	-66.8	-161.6	169.9	0	0	112	Y759 A817 K818	Y759-E814 HydrophobicContact CD1-CB 4.33Å; Y759-E814 HydrophobicContact CD1-CG 4.23Å; Y759-E814 HydrophobicContact CD2-CB 4.46Å; Y759-E814 HydrophobicContact CD2-CG 3.63Å; Y759-E814 WeakPolarHBondContact CD2-OE1 3.48Å; Y759-E814 HydrophobicContact CE1-CB 4.28Å; Y759-E814 HydrophobicContact CE1-CG 4.45Å; Y759-E814 HydrophobicContact CE2-CB 4.41Å; Y759-E814 VanDerWaalsContact CE2-CD 3.47Å; Y759-E814 HydrophobicContact CE2-CG 3.88Å; Y759-E814 WeakPolarHBondContact CE2-OE1 3.45Å; Y759-E814 HydrophobicContact CG-CB 4.46Å; Y759-E814 HydrophobicContact CG-CG 3.87Å; E814-A817 PolarHBondContact O-N 2.98Å; E814-K818 WeakPolarHBondContact O-CB 3.46Å; E814-K818 WeakPolarHBondContact O-CD 3.37Å; E814-K818 WeakPolarHBondContact O-CG 3.37Å; E814-K818 PolarHBondContact O-N 2.72Å; E814-K818 WeakPolarHBondContact OE2-CE 3.45Å; E814-K818 IonicContact OE2-NZ 2.63Å; E814-K818 PolarHBondContact OE2-NZ 2.77Å
815	E	89.1	Confident	92.3	Very high	112 Å²	112	49.4 Å²	49.4	52%	0.523	23%	0.234	S	C	.	.	H	α-helix	trans	-68.1	-41.2	-178.2	-161.5	-166.1	159.4	0	0	111.6	S813 K818 K819	S813-E815 PolarHBondContact O-N 2.82Å; S813-E815 PolarHBondContact OG-N 2.92Å; E815-K818 PolarHBondContact O-N 3.14Å; E815-K819 VanDerWaalsContact CD-NZ 3.25Å; E815-K819 WeakPolarHBondContact O-CB 3.34Å; E815-K819 VanDerWaalsContact O-CG 3.27Å; E815-K819 WeakPolarHBondContact O-CG 3.38Å; E815-K819 PolarHBondContact O-N 2.82Å; E815-K819 WeakPolarHBondContact OE1-CE 3.24Å; E815-K819 IonicContact OE1-NZ 3.62Å; E815-K819 PolarHBondContact OE1-NZ 3.02Å; E815-K819 IonicContact OE2-NZ 2.74Å
816	N	92.9	Very high	92.4	Very high	55 Å²	55	52.6 Å²	52.6	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-68.5	-38.3	175.3	-72.5	-15.3	0	0	0	111.2	R810 Y811 S813 L820	R810-N816 VanDerWaalsContact O-CB 3.26Å; R810-N816 WeakPolarHBondContact O-CB 3.39Å; R810-N816 PolarHBondContact O-ND2 3.08Å; Y811-N816 HydrophobicContact CD1-CB 4.07Å; S813-N816 PolarHBondContact O-N 2.79Å; N816-L820 WeakPolarHBondContact O-CB 3.39Å; N816-L820 PolarHBondContact O-N 3.23Å
817	A	93.4	Very high	92.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.6	-45.8	174	0	0	0	0	0	112	Y759 M760 S813 E814 L820 M821	Y759-A817 HydrophobicContact CD1-CB 3.62Å; Y759-A817 HydrophobicContact CE1-CB 3.95Å; M760-A817 HydrophobicContact CB-CB 4.01Å; S813-A817 PolarHBondContact O-N 2.89Å; S813-A817 VanDerWaalsContact O-N 3.09Å; E814-A817 PolarHBondContact O-N 2.98Å; A817-L820 WeakPolarHBondContact O-CB 3.5Å; A817-L820 PolarHBondContact O-N 2.92Å; A817-M821 WeakPolarHBondContact O-CG 3.3Å; A817-M821 PolarHBondContact O-N 3.5Å
818	K	91.9	Very high	91.8	Very high	78 Å²	78	59.8 Å²	59.8	34%	0.339	28%	0.284	S	S	.	.	H	α-helix	trans	-58.3	-50.4	175.6	-72.9	160.6	-169.2	166.5	0	111.4	Y759 E814 E815 L820 M821 E822	Y759-K818 HydrophobicContact CE1-CG 4.1Å; Y759-K818 WeakPolarHBondContact OH-CE 3.18Å; E814-K818 WeakPolarHBondContact O-CB 3.46Å; E814-K818 WeakPolarHBondContact O-CD 3.37Å; E814-K818 WeakPolarHBondContact O-CG 3.37Å; E814-K818 PolarHBondContact O-N 2.72Å; E814-K818 WeakPolarHBondContact OE2-CE 3.45Å; E814-K818 IonicContact OE2-NZ 2.63Å; E814-K818 PolarHBondContact OE2-NZ 2.77Å; E815-K818 PolarHBondContact O-N 3.14Å; K818-L820 VanDerWaalsContact C-N 3.29Å; K818-L820 PolarHBondContact O-N 3.03Å; K818-M821 PolarHBondContact O-N 2.88Å; K818-M821 VanDerWaalsContact O-N 3.16Å; K818-E822 WeakPolarHBondContact O-CG 3.45Å; K818-E822 PolarHBondContact O-N 3.26Å
819	K	94.4	Very high	91.8	Very high	103 Å²	103	60.9 Å²	60.9	45%	0.448	29%	0.289	S	S	.	.	H	α-helix	trans	-56.7	-40.4	175.3	-72.2	167	-176	165.6	0	112.4	E815 L823	E815-K819 VanDerWaalsContact CD-NZ 3.25Å; E815-K819 WeakPolarHBondContact O-CB 3.34Å; E815-K819 VanDerWaalsContact O-CG 3.27Å; E815-K819 WeakPolarHBondContact O-CG 3.38Å; E815-K819 PolarHBondContact O-N 2.82Å; E815-K819 WeakPolarHBondContact OE1-CE 3.24Å; E815-K819 IonicContact OE1-NZ 3.62Å; E815-K819 PolarHBondContact OE1-NZ 3.02Å; E815-K819 IonicContact OE2-NZ 2.74Å; K819-L823 WeakPolarHBondContact O-CB 3.24Å; K819-L823 PolarHBondContact O-N 3.04Å
820	L	96.1	Very high	91.7	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-66.1	-43.4	176.5	-176.6	74.2	0	0	0	112.1	M760 A782 L783 Y811 N816 A817 K818 L823 A824	M760-L820 HydrophobicContact CE-CD2 3.49Å; M760-L820 VanDerWaalsContact CE-CD2 3.49Å; M760-L820 HydrophobicContact SD-CD2 3.66Å; A782-L820 HydrophobicContact CB-CD1 3.75Å; A782-L820 HydrophobicContact CB-CG 4.43Å; L783-L820 HydrophobicContact CD2-CD1 3.99Å; L783-L820 HydrophobicContact CD2-CD2 3.51Å; L783-L820 HydrophobicContact CD2-CG 4.41Å; L783-L820 HydrophobicContact CG-CD1 4.18Å; L783-L820 HydrophobicContact CG-CD2 4.01Å; Y811-L820 HydrophobicContact CD1-CB 4.1Å; Y811-L820 HydrophobicContact CD1-CD2 3.85Å; Y811-L820 HydrophobicContact CD1-CG 4.48Å; Y811-L820 HydrophobicContact CD2-CD2 4.39Å; Y811-L820 HydrophobicContact CE1-CB 3.83Å; Y811-L820 HydrophobicContact CE1-CD1 4.02Å; Y811-L820 HydrophobicContact CE1-CD2 3.75Å; Y811-L820 HydrophobicContact CE1-CG 4.07Å; Y811-L820 HydrophobicContact CE2-CD2 4.33Å; Y811-L820 HydrophobicContact CG-CD2 4.19Å; N816-L820 WeakPolarHBondContact O-CB 3.39Å; N816-L820 PolarHBondContact O-N 3.23Å; A817-L820 WeakPolarHBondContact O-CB 3.5Å; A817-L820 PolarHBondContact O-N 2.92Å; K818-L820 VanDerWaalsContact C-N 3.29Å; K818-L820 PolarHBondContact O-N 3.03Å; L820-L823 PolarHBondContact O-N 3.39Å; L820-A824 WeakPolarHBondContact O-CB 3.35Å; L820-A824 PolarHBondContact O-N 3.08Å
821	M	95.6	Very high	91.6	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-69.1	-39.2	179	-66.4	-61.5	107	0	0	111.8	M760 H763 I764 L767 V779 A817 K818 A824 C825	M760-M821 HydrophobicContact CE-CE 4.29Å; M760-M821 HydrophobicContact CG-CE 4.14Å; H763-M821 HydrophobicContact CB-CG 4Å; H763-M821 HydrophobicContact CB-SD 4.27Å; I764-M821 HydrophobicContact CD1-CE 4.3Å; I764-M821 HydrophobicContact CG1-CE 3.98Å; I764-M821 HydrophobicContact CG1-SD 3.86Å; L767-M821 HydrophobicContact CD1-SD 4.13Å; V779-M821 HydrophobicContact CG1-CE 3.99Å; V779-M821 HydrophobicContact CG2-CE 4.05Å; V779-M821 HydrophobicContact CG2-SD 4.43Å; A817-M821 WeakPolarHBondContact O-CG 3.3Å; A817-M821 PolarHBondContact O-N 3.5Å; K818-M821 PolarHBondContact O-N 2.88Å; K818-M821 VanDerWaalsContact O-N 3.16Å; M821-A824 PolarHBondContact O-N 3.34Å; M821-C825 WeakPolarHBondContact O-CB 3.37Å; M821-C825 PolarHBondContact O-N 3.49Å; M821-C825 PolarHBondContact O-SG 2.94Å
822	E	94.4	Very high	91.6	Very high	137 Å²	137	69 Å²	69	64%	0.64	34%	0.336	S	S	*	.	H	α-helix	trans	-59.3	-46.2	170.4	-74.1	179.4	-174.7	0	0	111.5	K818 C825 S826	K818-E822 WeakPolarHBondContact O-CG 3.45Å; K818-E822 PolarHBondContact O-N 3.26Å; E822-C825 PolarHBondContact O-N 3.29Å; E822-S826 PolarHBondContact O-N 3.28Å
823	L	95.8	Very high	91.9	Very high	43 Å²	43	64 Å²	64	23%	0.225	32%	0.318	C	S	.	.	H	α-helix	trans	-59.7	-49.9	175.4	177.8	61.2	0	0	0	110.6	A782 T786 K819 L820 C825 S826 M827	A782-L823 HydrophobicContact CB-CB 4.36Å; A782-L823 HydrophobicContact CB-CD2 4.02Å; A782-L823 HydrophobicContact CB-CG 3.97Å; T786-L823 WeakPolarHBondContact OG1-CD2 3.41Å; K819-L823 WeakPolarHBondContact O-CB 3.24Å; K819-L823 PolarHBondContact O-N 3.04Å; L820-L823 PolarHBondContact O-N 3.39Å; L823-C825 PolarHBondContact O-N 3.22Å; L823-S826 WeakPolarHBondContact O-CA 3.42Å; L823-S826 WeakPolarHBondContact O-CB 3.11Å; L823-S826 PolarHBondContact O-N 2.56Å; L823-S826 PolarHBondContact O-OG 2.88Å; L823-M827 VanDerWaalsContact O-CG 3.31Å; L823-M827 WeakPolarHBondContact O-CG 3.04Å; L823-M827 PolarHBondContact O-N 3.15Å
824	A	95.8	Very high	92.3	Very high	2 Å²	2	61.7 Å²	61.7	2%	0.017	30%	0.301	C	S	.	.	H	α-helix	trans	-56.9	-45.2	177.4	0	0	0	0	0	112.2	N778 V779 A782 L820 M821 S826 M827	N778-A824 HydrophobicContact CB-CB 4.21Å; N778-A824 PolarHBondContact ND2-O 2.94Å; V779-A824 HydrophobicContact CG2-CB 4.22Å; A782-A824 HydrophobicContact CB-CB 3.85Å; L820-A824 WeakPolarHBondContact O-CB 3.35Å; L820-A824 PolarHBondContact O-N 3.08Å; M821-A824 PolarHBondContact O-N 3.34Å; A824-S826 PolarHBondContact O-N 2.85Å; A824-M827 PolarHBondContact O-N 2.68Å; A824-M827 VanDerWaalsContact O-N 3.1Å
825	C	92.9	Very high	92.7	Very high	32 Å²	32	65 Å²	65	22%	0.216	32%	0.315	C	S	.	.	H	α-helix	trans	-65.4	-26	176.3	-67.6	0	0	0	0	112.9	R584 M821 E822 L823	R584-C825 HydrophobicContact CG-CB 4.39Å; M821-C825 WeakPolarHBondContact O-CB 3.37Å; M821-C825 PolarHBondContact O-N 3.49Å; M821-C825 PolarHBondContact O-SG 2.94Å; E822-C825 PolarHBondContact O-N 3.29Å; L823-C825 PolarHBondContact O-N 3.22Å
826	S	92.6	Very high	93	Very high	73 Å²	73	64.7 Å²	64.7	51%	0.51	31%	0.312	S	S	.	.	H	α-helix	trans	-75.8	-22.6	173.9	85	0	0	0	0	113.5	E822 L823 A824 K828	E822-S826 PolarHBondContact O-N 3.28Å; L823-S826 WeakPolarHBondContact O-CA 3.42Å; L823-S826 WeakPolarHBondContact O-CB 3.11Å; L823-S826 PolarHBondContact O-N 2.56Å; L823-S826 PolarHBondContact O-OG 2.88Å; A824-S826 PolarHBondContact O-N 2.85Å; S826-K828 PolarHBondContact O-N 3.16Å; S826-K828 VanDerWaalsContact O-N 3.13Å
827	M	90.2	Very high	93.2	Very high	15 Å²	15	62.7 Å²	62.7	7%	0.074	30%	0.301	C	S	.	.			trans	-75.1	101.2	-176.7	-59.7	-154	68.5	0	0	111.4	Y725 N778 L781 A782 L823 A824 I829	Y725-M827 HydrophobicContact CG-CE 4.3Å; N778-M827 PolarHBondContact ND2-O 2.78Å; L781-M827 HydrophobicContact CB-CE 3.7Å; L781-M827 HydrophobicContact CB-SD 3.57Å; L781-M827 VanDerWaalsContact CB-SD 3.57Å; L781-M827 HydrophobicContact CD1-CE 3.82Å; L781-M827 HydrophobicContact CG-CE 4.42Å; A782-M827 HydrophobicContact CB-SD 4.41Å; L823-M827 VanDerWaalsContact O-CG 3.31Å; L823-M827 WeakPolarHBondContact O-CG 3.04Å; L823-M827 PolarHBondContact O-N 3.15Å; A824-M827 PolarHBondContact O-N 2.68Å; A824-M827 VanDerWaalsContact O-N 3.1Å; M827-I829 VanDerWaalsContact C-N 3.26Å; M827-I829 PolarHBondContact O-N 2.85Å
828	K	82.5	Confident	93.4	Very high	184 Å²	184	65.3 Å²	65.3	80%	0.8	31%	0.313	S	S	*	.			trans	-79.2	68.8	-176.7	-66.3	179.6	-176.1	175.1	0	112.8	Y725 S826 S830	Y725-K828 PolarHBondContact OH-O 3.13Å; S826-K828 PolarHBondContact O-N 3.16Å; S826-K828 VanDerWaalsContact O-N 3.13Å; K828-S830 PolarHBondContact O-N 2.92Å
829	I	90.4	Very high	93.6	Very high	26 Å²	26	68.5 Å²	68.5	13%	0.133	33%	0.327	C	S	.	.			trans	-72.1	120.4	166.6	-49.5	-176	0	0	0	107.8	L721 F777 N778 L781 M827 L834	L721-I829 HydrophobicContact CD1-CD1 4.16Å; L721-I829 HydrophobicContact CD1-CG2 4.36Å; L721-I829 HydrophobicContact CD2-CG2 4.04Å; F777-I829 HydrophobicContact CB-CD1 3.51Å; N778-I829 WeakPolarHBondContact OD1-CD1 3.12Å; L781-I829 HydrophobicContact CD1-CD1 3.63Å; L781-I829 HydrophobicContact CD1-CG1 4.24Å; M827-I829 VanDerWaalsContact C-N 3.26Å; M827-I829 PolarHBondContact O-N 2.85Å; I829-L834 HydrophobicContact CG2-CD1 4.15Å; I829-L834 HydrophobicContact CG2-CD2 4.08Å; I829-L834 HydrophobicContact CG2-CG 3.92Å
830	S	89.5	Confident	93.7	Very high	58 Å²	58	66.8 Å²	66.8	41%	0.406	32%	0.32	S	S	.	.			trans	-95	140.4	177.5	69.3	0	0	0	0	111.3	K828 K832 K833 L834	K828-S830 PolarHBondContact O-N 2.92Å; S830-K832 PolarHBondContact O-N 2.89Å; S830-K832 VanDerWaalsContact O-N 3.15Å; S830-K833 WeakPolarHBondContact O-CA 3.22Å; S830-K833 WeakPolarHBondContact O-CB 3.39Å; S830-K833 PolarHBondContact O-N 3.23Å; S830-K833 PolarHBondContact OG-N 3.31Å; S830-L834 PolarHBondContact O-N 2.96Å
831	Q	90.1	Very high	93.7	Very high	101 Å²	101	67.6 Å²	67.6	47%	0.472	32%	0.323	S	S	.	.	H	α-helix	trans	-53.3	-34.5	173.8	-73.9	-68.2	-13	0	0	112.5	S774 K833 L834 K835	S774-Q831 PolarHBondContact OG-NE2 3.36Å; Q831-K833 VanDerWaalsContact C-N 3.28Å; Q831-K833 PolarHBondContact O-N 3.09Å; Q831-L834 PolarHBondContact O-N 3.2Å; Q831-K835 WeakPolarHBondContact O-CB 3.4Å; Q831-K835 WeakPolarHBondContact O-CG 3.32Å; Q831-K835 PolarHBondContact O-N 2.78Å
832	K	93.2	Very high	93.6	Very high	180 Å²	180	71.4 Å²	71.4	78%	0.783	34%	0.341	S	S	*	.	H	α-helix	trans	-63.9	-28.9	174.5	-172.8	175.7	178.9	-178.9	0	113.3	S830 K836	S830-K832 PolarHBondContact O-N 2.89Å; S830-K832 VanDerWaalsContact O-N 3.15Å; K832-K836 PolarHBondContact O-N 3.05Å
833	K	94.1	Very high	93.6	Very high	32 Å²	32	68 Å²	68	14%	0.139	33%	0.329	C	S	.	.	H	α-helix	trans	-77.6	-46.2	175.6	-176.5	-177.4	-69.4	-169.9	0	111.3	L721 E724 Y725 S830 Q831 K835 K836 F837	L721-K833 HydrophobicContact CD2-CD 3.74Å; E724-K833 IonicContact OE1-NZ 2.77Å; E724-K833 PolarHBondContact OE1-NZ 2.81Å; E724-K833 WeakPolarHBondContact OE2-CD 3.39Å; E724-K833 WeakPolarHBondContact OE2-CE 3.47Å; E724-K833 IonicContact OE2-NZ 2.66Å; E724-K833 PolarHBondContact OE2-NZ 3.05Å; Y725-K833 PolarHBondContact OH-NZ 3.5Å; S830-K833 WeakPolarHBondContact O-CA 3.22Å; S830-K833 WeakPolarHBondContact O-CB 3.39Å; S830-K833 PolarHBondContact O-N 3.23Å; S830-K833 PolarHBondContact OG-N 3.31Å; Q831-K833 VanDerWaalsContact C-N 3.28Å; Q831-K833 PolarHBondContact O-N 3.09Å; K833-K835 PolarHBondContact O-N 3.04Å; K833-K836 WeakPolarHBondContact O-CA 3.38Å; K833-K836 VanDerWaalsContact O-CB 3.3Å; K833-K836 WeakPolarHBondContact O-CB 3.39Å; K833-K836 PolarHBondContact O-N 2.76Å; K833-F837 HydrophobicContact CD-CE2 3.75Å; K833-F837 HydrophobicContact CD-CZ 3.97Å; K833-F837 HydrophobicContact CG-CD2 4.08Å; K833-F837 HydrophobicContact CG-CE1 4.49Å; K833-F837 HydrophobicContact CG-CE2 3.53Å; K833-F837 HydrophobicContact CG-CZ 3.76Å; K833-F837 PolarHBondContact O-N 3.1Å
834	L	95.3	Very high	93.5	Very high	8 Å²	8	69.1 Å²	69.1	4%	0.042	34%	0.335	C	S	.	.	H	α-helix	trans	-56.4	-49.6	174.6	-68	175.1	0	0	0	110.8	Q717 L721 F777 I829 S830 Q831 K836 F837 E838	Q717-L834 HydrophobicContact CB-CD2 4.32Å; Q717-L834 PolarHBondContact NE2-O 3.39Å; L721-L834 HydrophobicContact CD1-CD2 3.94Å; F777-L834 HydrophobicContact CD1-CD2 4.42Å; F777-L834 HydrophobicContact CD2-CD1 4.04Å; F777-L834 HydrophobicContact CD2-CD2 3.83Å; F777-L834 HydrophobicContact CE1-CD2 4.44Å; F777-L834 HydrophobicContact CE2-CD1 4.28Å; F777-L834 HydrophobicContact CE2-CD2 3.87Å; F777-L834 HydrophobicContact CG-CD2 4.13Å; F777-L834 HydrophobicContact CZ-CD2 4.19Å; I829-L834 HydrophobicContact CG2-CD1 4.15Å; I829-L834 HydrophobicContact CG2-CD2 4.08Å; I829-L834 HydrophobicContact CG2-CG 3.92Å; S830-L834 PolarHBondContact O-N 2.96Å; Q831-L834 PolarHBondContact O-N 3.2Å; L834-K836 PolarHBondContact O-N 2.77Å; L834-K836 VanDerWaalsContact O-N 3.13Å; L834-F837 PolarHBondContact O-N 3.33Å; L834-E838 VanDerWaalsContact O-CB 3.27Å; L834-E838 WeakPolarHBondContact O-CB 3.34Å; L834-E838 PolarHBondContact O-N 3.17Å
835	K	95.5	Very high	93.2	Very high	124 Å²	124	72.9 Å²	72.9	54%	0.539	35%	0.349	S	S	.	.	H	α-helix	trans	-68.1	-6.3	175.4	-63.2	-163.8	173.7	-162.3	0	115.3	Q831 K833 E838 K839	Q831-K835 WeakPolarHBondContact O-CB 3.4Å; Q831-K835 WeakPolarHBondContact O-CG 3.32Å; Q831-K835 PolarHBondContact O-N 2.78Å; K833-K835 PolarHBondContact O-N 3.04Å; K835-E838 WeakPolarHBondContact CA-OE2 3.26Å; K835-E838 WeakPolarHBondContact CG-OE2 3.44Å; K835-K839 WeakPolarHBondContact O-CG 3.26Å
836	K	97.1	Very high	93	Very high	105 Å²	105	76.7 Å²	76.7	46%	0.457	36%	0.363	S	S	.	.	H	α-helix	trans	-86.9	-53.6	168.5	-170.6	-146.2	162.5	-141	0	109.7	K832 K833 L834 E838 K839 E840	K832-K836 PolarHBondContact O-N 3.05Å; K833-K836 WeakPolarHBondContact O-CA 3.38Å; K833-K836 VanDerWaalsContact O-CB 3.3Å; K833-K836 WeakPolarHBondContact O-CB 3.39Å; K833-K836 PolarHBondContact O-N 2.76Å; L834-K836 PolarHBondContact O-N 2.77Å; L834-K836 VanDerWaalsContact O-N 3.13Å; K836-E838 VanDerWaalsContact C-N 3.27Å; K836-E838 PolarHBondContact O-N 3.3Å; K836-K839 PolarHBondContact O-N 3.4Å; K836-K839 VanDerWaalsContact O-N 3.1Å; K836-E840 VanDerWaalsContact CE-CD 3.47Å; K836-E840 WeakPolarHBondContact CE-OE1 2.98Å; K836-E840 IonicContact NZ-OE1 3.64Å; K836-E840 PolarHBondContact NZ-OE1 3.29Å; K836-E840 IonicContact NZ-OE2 3.45Å; K836-E840 PolarHBondContact NZ-OE2 2.9Å; K836-E840 PolarHBondContact O-N 3.46Å
837	F	97.3	Very high	92.7	Very high	14 Å²	14	78 Å²	78	6%	0.061	36%	0.361	C	S	.	.	H	α-helix	trans	-61.7	-34.6	178.1	-62.5	-28.5	0	0	0	112.3	F716 Q717 R720 L721 K833 L834 K839 E840 Y841	F716-F837 HydrophobicContact CD1-CB 4.49Å; F716-F837 HydrophobicContact CE1-CB 4.4Å; F716-F837 WeakPolarHBondContact CE1-O 3.36Å; Q717-F837 HydrophobicContact CG-CB 3.91Å; R720-F837 HydrophobicContact CB-CD1 3.82Å; R720-F837 HydrophobicContact CB-CD2 3.69Å; R720-F837 HydrophobicContact CB-CE1 3.77Å; R720-F837 HydrophobicContact CB-CE2 3.62Å; R720-F837 HydrophobicContact CB-CG 3.79Å; R720-F837 HydrophobicContact CB-CZ 3.68Å; R720-F837 HydrophobicContact CG-CD1 4.15Å; R720-F837 HydrophobicContact CG-CE1 4.41Å; R720-F837 HydrophobicContact CG-CG 4.27Å; L721-F837 HydrophobicContact CD2-CE2 3.94Å; L721-F837 HydrophobicContact CG-CD2 4.35Å; L721-F837 HydrophobicContact CG-CE2 3.95Å; K833-F837 HydrophobicContact CD-CE2 3.75Å; K833-F837 HydrophobicContact CD-CZ 3.97Å; K833-F837 HydrophobicContact CG-CD2 4.08Å; K833-F837 HydrophobicContact CG-CE1 4.49Å; K833-F837 HydrophobicContact CG-CE2 3.53Å; K833-F837 HydrophobicContact CG-CZ 3.76Å; K833-F837 PolarHBondContact O-N 3.1Å; L834-F837 PolarHBondContact O-N 3.33Å; F837-K839 PolarHBondContact O-N 3.44Å; F837-E840 WeakPolarHBondContact CD1-OE2 3.31Å; F837-E840 PolarHBondContact O-N 2.91Å; F837-Y841 WeakPolarHBondContact O-CB 3.46Å; F837-Y841 PolarHBondContact O-N 2.92Å
838	E	96	Very high	92.4	Very high	54 Å²	54	81.9 Å²	81.9	25%	0.252	38%	0.38	S	S	.	.	H	α-helix	trans	-54.7	-46.7	170.3	-177.9	173.8	-107.7	0	0	112.5	L834 K835 K836 Y841 H842	L834-E838 VanDerWaalsContact O-CB 3.27Å; L834-E838 WeakPolarHBondContact O-CB 3.34Å; L834-E838 PolarHBondContact O-N 3.17Å; K835-E838 WeakPolarHBondContact CA-OE2 3.26Å; K835-E838 WeakPolarHBondContact CG-OE2 3.44Å; K836-E838 VanDerWaalsContact C-N 3.27Å; K836-E838 PolarHBondContact O-N 3.3Å; E838-Y841 PolarHBondContact O-N 2.71Å; E838-H842 PolarHBondContact O-N 2.64Å; E838-H842 VanDerWaalsContact O-N 3.11Å; E838-H842 PolarHBondContact O-ND1 3.34Å
839	K	96.5	Very high	92.2	Very high	146 Å²	146	77.7 Å²	77.7	64%	0.635	36%	0.363	S	S	*	.	H	α-helix	trans	-72.7	-36	178.7	-69.6	-174.7	175.7	-158.4	0	112.4	K835 K836 F837 Y841 T843	K835-K839 WeakPolarHBondContact O-CG 3.26Å; K836-K839 PolarHBondContact O-N 3.4Å; K836-K839 VanDerWaalsContact O-N 3.1Å; F837-K839 PolarHBondContact O-N 3.44Å; K839-Y841 VanDerWaalsContact C-N 3.34Å; K839-T843 VanDerWaalsContact O-CB 3.28Å; K839-T843 WeakPolarHBondContact O-CB 3.4Å; K839-T843 PolarHBondContact O-N 3.07Å; K839-T843 PolarHBondContact O-OG1 3.47Å
840	E	96.8	Very high	91.5	Very high	67 Å²	67	83.5 Å²	83.5	31%	0.313	39%	0.389	S	S	.	.	H	α-helix	trans	-62.8	-41.6	173.2	-71	176.9	152.3	0	0	110.7	F716 K836 F837 T843 I844	F716-E840 HydrophobicContact CE1-CB 4.09Å; F716-E840 HydrophobicContact CZ-CB 4.3Å; K836-E840 VanDerWaalsContact CE-CD 3.47Å; K836-E840 WeakPolarHBondContact CE-OE1 2.98Å; K836-E840 IonicContact NZ-OE1 3.64Å; K836-E840 PolarHBondContact NZ-OE1 3.29Å; K836-E840 IonicContact NZ-OE2 3.45Å; K836-E840 PolarHBondContact NZ-OE2 2.9Å; K836-E840 PolarHBondContact O-N 3.46Å; F837-E840 WeakPolarHBondContact CD1-OE2 3.31Å; F837-E840 PolarHBondContact O-N 2.91Å; E840-T843 PolarHBondContact O-N 3.42Å; E840-I844 WeakPolarHBondContact O-CD1 3.22Å; E840-I844 VanDerWaalsContact O-CG1 3.24Å; E840-I844 WeakPolarHBondContact O-CG1 3.46Å; E840-I844 PolarHBondContact O-N 3.02Å
841	Y	96.1	Very high	90.4	Very high	19 Å²	19	88.3 Å²	88.3	8%	0.075	41%	0.405	C	S	.	.	H	α-helix	trans	-58.9	-56.2	173.3	177.3	-98.9	0	0	0	112.3	E709 H712 C713 F716 F837 E838 K839 T843 I844 R845	E709-Y841 WeakPolarHBondContact OE1-CE1 3.31Å; E709-Y841 VanDerWaalsContact OE1-CZ 3.27Å; E709-Y841 PolarHBondContact OE1-OH 3.44Å; H712-Y841 HydrophobicContact CB-CE2 4.42Å; H712-Y841 VanDerWaalsContact CB-OH 3.27Å; H712-Y841 WeakPolarHBondContact CB-OH 3.47Å; C713-Y841 HydrophobicContact CB-CD1 3.54Å; C713-Y841 HydrophobicContact CB-CE1 3.63Å; C713-Y841 HydrophobicContact CB-CG 4.12Å; F716-Y841 HydrophobicContact CB-CD2 3.58Å; F716-Y841 HydrophobicContact CB-CE2 4.28Å; F716-Y841 HydrophobicContact CB-CG 4.32Å; F716-Y841 HydrophobicContact CD1-CD2 4.34Å; F716-Y841 HydrophobicContact CD2-CD2 4.2Å; F716-Y841 AromaticContact CG-CD2 3.81Å; F716-Y841 HydrophobicContact CG-CD2 3.81Å; F716-Y841 HydrophobicContact CG-CG 4.41Å; F837-Y841 WeakPolarHBondContact O-CB 3.46Å; F837-Y841 PolarHBondContact O-N 2.92Å; E838-Y841 PolarHBondContact O-N 2.71Å; K839-Y841 VanDerWaalsContact C-N 3.34Å; Y841-T843 VanDerWaalsContact C-N 3.29Å; Y841-T843 PolarHBondContact O-N 3.12Å; Y841-I844 WeakPolarHBondContact O-CB 3.11Å; Y841-I844 PolarHBondContact O-N 2.72Å; Y841-R845 HydrophobicContact CD1-CG 4.09Å; Y841-R845 HydrophobicContact CD2-CG 4.38Å; Y841-R845 HydrophobicContact CE1-CG 3.64Å; Y841-R845 HydrophobicContact CE2-CG 3.98Å; Y841-R845 HydrophobicContact CG-CG 4.43Å; Y841-R845 WeakPolarHBondContact O-CG 3.31Å; Y841-R845 PolarHBondContact O-N 3.26Å; Y841-R845 WeakPolarHBondContact OH-CD 3.17Å; Y841-R845 PolarHBondContact OH-NE 3.21Å
842	H	94.1	Very high	88.9	Confident	79 Å²	79	86.8 Å²	86.8	37%	0.366	40%	0.398	S	S	.	.	H	α-helix	trans	-58.3	-41.1	179.2	-72.5	82.4	0	0	0	112	E838 I844 R845 E846	E838-H842 PolarHBondContact O-N 2.64Å; E838-H842 VanDerWaalsContact O-N 3.11Å; E838-H842 PolarHBondContact O-ND1 3.34Å; H842-I844 VanDerWaalsContact C-N 3.28Å; H842-I844 PolarHBondContact O-N 2.7Å; H842-R845 PolarHBondContact O-N 3.47Å; H842-E846 WeakPolarHBondContact O-CB 3.49Å; H842-E846 WeakPolarHBondContact O-CG 3.38Å; H842-E846 PolarHBondContact O-N 3.01Å
843	T	94.6	Very high	87.3	Confident	65 Å²	65	80.1 Å²	80.1	40%	0.399	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-35.8	176.3	-58.2	0	0	0	0	112.2	K839 E840 Y841 Q847	K839-T843 VanDerWaalsContact O-CB 3.28Å; K839-T843 WeakPolarHBondContact O-CB 3.4Å; K839-T843 PolarHBondContact O-N 3.07Å; K839-T843 PolarHBondContact O-OG1 3.47Å; E840-T843 PolarHBondContact O-N 3.42Å; Y841-T843 VanDerWaalsContact C-N 3.29Å; Y841-T843 PolarHBondContact O-N 3.12Å; T843-Q847 WeakPolarHBondContact O-CB 3.46Å; T843-Q847 WeakPolarHBondContact O-CG 3.37Å; T843-Q847 PolarHBondContact O-N 3.02Å
844	I	92.3	Very high	85.9	Confident	68 Å²	68	82.8 Å²	82.8	35%	0.349	40%	0.398	S	S	.	.	H	α-helix	trans	-72.4	-42.7	175.5	-69.1	162.3	0	0	0	110.7	F716 E840 Y841 H842 Q847 Q848	F716-I844 HydrophobicContact CE2-CD1 3.78Å; F716-I844 HydrophobicContact CZ-CD1 3.77Å; E840-I844 WeakPolarHBondContact O-CD1 3.22Å; E840-I844 VanDerWaalsContact O-CG1 3.24Å; E840-I844 WeakPolarHBondContact O-CG1 3.46Å; E840-I844 PolarHBondContact O-N 3.02Å; Y841-I844 WeakPolarHBondContact O-CB 3.11Å; Y841-I844 PolarHBondContact O-N 2.72Å; H842-I844 VanDerWaalsContact C-N 3.28Å; H842-I844 PolarHBondContact O-N 2.7Å; I844-Q847 PolarHBondContact O-N 3.45Å; I844-Q848 HydrophobicContact CG2-CG 4.48Å; I844-Q848 WeakPolarHBondContact O-CG 3.31Å; I844-Q848 PolarHBondContact O-N 3.47Å
845	R	89.6	Confident	84.4	Confident	80 Å²	80	88 Å²	88	30%	0.302	42%	0.424	S	S	.	.	H	α-helix	trans	-62.9	-47.1	177.9	-64	-71.4	-78.5	146.5	-6	111.6	E709 Y841 H842 Q847 Q848 E849	E709-R845 IonicContact OE1-CZ 2.72Å; E709-R845 IonicContact OE1-NE 2.78Å; E709-R845 PolarHBondContact OE1-NE 3.45Å; E709-R845 IonicContact OE1-NH2 3.53Å; E709-R845 IonicContact OE2-CZ 3.49Å; E709-R845 IonicContact OE2-NE 2.79Å; E709-R845 IonicContact OE2-NH2 2.92Å; E709-R845 PolarHBondContact OE2-NH2 3.08Å; Y841-R845 HydrophobicContact CD1-CG 4.09Å; Y841-R845 HydrophobicContact CD2-CG 4.38Å; Y841-R845 HydrophobicContact CE1-CG 3.64Å; Y841-R845 HydrophobicContact CE2-CG 3.98Å; Y841-R845 HydrophobicContact CG-CG 4.43Å; Y841-R845 WeakPolarHBondContact O-CG 3.31Å; Y841-R845 PolarHBondContact O-N 3.26Å; Y841-R845 WeakPolarHBondContact OH-CD 3.17Å; Y841-R845 PolarHBondContact OH-NE 3.21Å; H842-R845 PolarHBondContact O-N 3.47Å; R845-Q847 VanDerWaalsContact C-N 3.28Å; R845-Q847 PolarHBondContact O-N 2.88Å; R845-Q848 WeakPolarHBondContact O-CB 3.44Å; R845-Q848 PolarHBondContact O-N 2.98Å; R845-Q848 VanDerWaalsContact O-N 3.09Å; R845-E849 PolarHBondContact O-N 3.18Å
846	E	88.7	Confident	83.2	Confident	112 Å²	112	87.5 Å²	87.5	52%	0.523	42%	0.424	S	S	.	.	H	α-helix	trans	-56.7	-40.5	173.5	-74.2	173.8	-157.4	0	0	112.1	H842 Q850	H842-E846 WeakPolarHBondContact O-CB 3.49Å; H842-E846 WeakPolarHBondContact O-CG 3.38Å; H842-E846 PolarHBondContact O-N 3.01Å; E846-Q850 WeakPolarHBondContact O-CB 3.45Å; E846-Q850 WeakPolarHBondContact O-CG 3.26Å; E846-Q850 PolarHBondContact O-N 3.07Å; E846-Q850 PolarHBondContact O-NE2 2.96Å; E846-Q850 VanDerWaalsContact O-NE2 3.16Å
847	Q	88	Confident	81.9	Confident	100 Å²	100	88.3 Å²	88.3	47%	0.467	42%	0.424	S	S	.	.	H	α-helix	trans	-72.2	-28.4	177.1	-75	173.3	25.4	0	0	113.6	T843 I844 R845 Q851	T843-Q847 WeakPolarHBondContact O-CB 3.46Å; T843-Q847 WeakPolarHBondContact O-CG 3.37Å; T843-Q847 PolarHBondContact O-N 3.02Å; I844-Q847 PolarHBondContact O-N 3.45Å; R845-Q847 VanDerWaalsContact C-N 3.28Å; R845-Q847 PolarHBondContact O-N 2.88Å; Q847-Q851 WeakPolarHBondContact O-CB 3.45Å; Q847-Q851 WeakPolarHBondContact O-CG 3.22Å; Q847-Q851 PolarHBondContact O-N 2.61Å; Q847-Q851 PolarHBondContact O-NE2 3.44Å
848	Q	82.8	Confident	80.8	Confident	98 Å²	98	95.8 Å²	95.8	46%	0.458	45%	0.453	S	S	.	.	H	α-helix	trans	-72.8	-46	172.4	-73.7	171.3	-15.2	0	0	110.8	I844 R845 Q850 Q851 E852	I844-Q848 HydrophobicContact CG2-CG 4.48Å; I844-Q848 WeakPolarHBondContact O-CG 3.31Å; I844-Q848 PolarHBondContact O-N 3.47Å; R845-Q848 WeakPolarHBondContact O-CB 3.44Å; R845-Q848 PolarHBondContact O-N 2.98Å; R845-Q848 VanDerWaalsContact O-N 3.09Å; Q848-Q850 PolarHBondContact O-N 3.47Å; Q848-Q851 CarbonylContact O-C 3.57Å; Q848-Q851 PolarHBondContact O-N 2.89Å; Q848-E852 PolarHBondContact O-N 2.92Å
849	E	77.4	Confident	79.8	Confident	96 Å²	96	98.2 Å²	98.2	45%	0.449	46%	0.464	S	S	.	.	H	α-helix	trans	-62.6	-29.4	174.8	-75.6	-162.2	-146.6	0	0	113.2	R845 Q851 R857	R845-E849 PolarHBondContact O-N 3.18Å; E849-Q851 VanDerWaalsContact C-N 3.32Å; E849-R857 IonicContact OE2-CZ 3.71Å; E849-R857 IonicContact OE2-NH1 2.7Å; E849-R857 PolarHBondContact OE2-NH1 2.99Å; E849-R857 IonicContact OE2-NH2 2.64Å
850	Q	75.8	Confident	78.9	Confident	148 Å²	148	97.4 Å²	97.4	69%	0.692	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-10.4	173.1	-71.5	167.4	49	0	0	113.6	E846 Q848	E846-Q850 WeakPolarHBondContact O-CB 3.45Å; E846-Q850 WeakPolarHBondContact O-CG 3.26Å; E846-Q850 PolarHBondContact O-N 3.07Å; E846-Q850 PolarHBondContact O-NE2 2.96Å; E846-Q850 VanDerWaalsContact O-NE2 3.16Å; Q848-Q850 PolarHBondContact O-N 3.47Å
851	Q	66.9	Low	78	Confident	159 Å²	159	98.5 Å²	98.5	74%	0.743	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-23.8	175.9	-79.8	177.6	64	0	0	113.7	Q847 Q848 E849 A853	Q847-Q851 WeakPolarHBondContact O-CB 3.45Å; Q847-Q851 WeakPolarHBondContact O-CG 3.22Å; Q847-Q851 PolarHBondContact O-N 2.61Å; Q847-Q851 PolarHBondContact O-NE2 3.44Å; Q848-Q851 CarbonylContact O-C 3.57Å; Q848-Q851 PolarHBondContact O-N 2.89Å; E849-Q851 VanDerWaalsContact C-N 3.32Å; Q851-A853 PolarHBondContact O-N 3.05Å
852	E	58.2	Low	77	Confident	68 Å²	68	101.9 Å²	101.9	32%	0.318	48%	0.482	S	S	.	.	S	Bend	trans	-56.9	123.6	162.9	-75	-148.9	123.8	0	0	108.9	Q848 P854 R860	Q848-E852 PolarHBondContact O-N 2.92Å; E852-P854 WeakPolarHBondContact O-CD 3.41Å; E852-R860 VanDerWaalsContact CD-NH1 3.3Å; E852-R860 IonicContact OE1-CZ 2.65Å; E852-R860 VanDerWaalsContact OE1-CZ 3.23Å; E852-R860 IonicContact OE1-NH1 2.68Å; E852-R860 PolarHBondContact OE1-NH1 3.22Å; E852-R860 IonicContact OE1-NH2 3.13Å; E852-R860 PolarHBondContact OE1-NH2 3.49Å; E852-R860 IonicContact OE2-CZ 3.14Å; E852-R860 IonicContact OE2-NH1 2.81Å; E852-R860 PolarHBondContact OE2-NH1 2.84Å
853	A	60.4	Low	76.5	Confident	41 Å²	41	104.6 Å²	104.6	34%	0.339	49%	0.489	S	S	.	.			trans	-60.8	128	178.6	0	0	0	0	0	108.8	Q851 I855 E856 R857	Q851-A853 PolarHBondContact O-N 3.05Å; A853-I855 PolarHBondContact O-N 2.83Å; A853-E856 HydrophobicContact CB-CG 4.18Å; A853-E856 PolarHBondContact O-N 3Å; A853-R857 PolarHBondContact O-N 3.22Å
854	P	65.4	Low	75.9	Confident	88 Å²	88	109.2 Å²	109.2	57%	0.571	50%	0.499	S	S	*	.	H	α-helix	trans	-54.2	-31.2	-176.2	-30.6	35.9	0	0	0	113.5	E852 R857 Y858	E852-P854 WeakPolarHBondContact O-CD 3.41Å; P854-R857 PolarHBondContact O-N 2.95Å; P854-Y858 HydrophobicContact CB-CD2 4.46Å; P854-Y858 HydrophobicContact CB-CE2 4.27Å; P854-Y858 WeakPolarHBondContact O-CD2 3.43Å; P854-Y858 PolarHBondContact O-N 2.78Å
855	I	63.9	Low	75.4	Confident	117 Å²	117	110.3 Å²	110.3	60%	0.6	51%	0.505	S	S	*	.	H	α-helix	trans	-61.3	-47.4	174.9	-60.1	174.2	0	0	0	111.3	A853 R857 Y858 E859	A853-I855 PolarHBondContact O-N 2.83Å; I855-R857 VanDerWaalsContact C-N 3.34Å; I855-R857 PolarHBondContact O-N 3.08Å; I855-Y858 PolarHBondContact O-N 3.21Å; I855-E859 HydrophobicContact CG2-CG 4.31Å; I855-E859 WeakPolarHBondContact CG2-OE1 3.44Å; I855-E859 WeakPolarHBondContact O-CB 3.31Å; I855-E859 WeakPolarHBondContact O-CG 3.48Å; I855-E859 PolarHBondContact O-N 3.46Å
856	E	70.1	Confident	75	Confident	113 Å²	113	111.6 Å²	111.6	53%	0.528	51%	0.514	S	S	.	.	H	α-helix	trans	-65.8	-37.6	-179.9	-65.9	179.3	178.4	0	0	111.7	A853 E859 R860	A853-E856 HydrophobicContact CB-CG 4.18Å; A853-E856 PolarHBondContact O-N 3Å; E856-E859 PolarHBondContact O-N 2.78Å; E856-R860 VanDerWaalsContact O-CB 3.26Å; E856-R860 WeakPolarHBondContact O-CB 3.11Å; E856-R860 PolarHBondContact O-N 3.32Å
857	R	69.8	Low	74.7	Confident	123 Å²	123	111.3 Å²	111.3	46%	0.464	51%	0.513	S	S	.	.	H	α-helix	trans	-62.2	-46.8	172	-177.7	175.6	177	155.5	4.1	111.4	E849 A853 P854 I855 R860 E861	E849-R857 IonicContact OE2-CZ 3.71Å; E849-R857 IonicContact OE2-NH1 2.7Å; E849-R857 PolarHBondContact OE2-NH1 2.99Å; E849-R857 IonicContact OE2-NH2 2.64Å; A853-R857 PolarHBondContact O-N 3.22Å; P854-R857 PolarHBondContact O-N 2.95Å; I855-R857 VanDerWaalsContact C-N 3.34Å; I855-R857 PolarHBondContact O-N 3.08Å; R857-R860 PolarHBondContact O-N 3.21Å; R857-E861 WeakPolarHBondContact O-CB 2.97Å; R857-E861 PolarHBondContact O-N 3.38Å
858	Y	72.9	Confident	74.3	Confident	171 Å²	171	108.5 Å²	108.5	67%	0.671	51%	0.507	S	S	*	.	H	α-helix	trans	-68.7	-34.9	177.3	-71.5	-53.8	0	0	0	113.1	P854 I855 N862	P854-Y858 HydrophobicContact CB-CD2 4.46Å; P854-Y858 HydrophobicContact CB-CE2 4.27Å; P854-Y858 WeakPolarHBondContact O-CD2 3.43Å; P854-Y858 PolarHBondContact O-N 2.78Å; I855-Y858 PolarHBondContact O-N 3.21Å; Y858-N862 WeakPolarHBondContact O-CB 3.44Å; Y858-N862 PolarHBondContact O-N 2.99Å
859	E	75.9	Confident	74	Confident	105 Å²	105	108.2 Å²	108.2	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-70	-34.4	174.7	-77.3	-175.1	-162.3	0	0	112.7	I855 E856 R863	I855-E859 HydrophobicContact CG2-CG 4.31Å; I855-E859 WeakPolarHBondContact CG2-OE1 3.44Å; I855-E859 WeakPolarHBondContact O-CB 3.31Å; I855-E859 WeakPolarHBondContact O-CG 3.48Å; I855-E859 PolarHBondContact O-N 3.46Å; E856-E859 PolarHBondContact O-N 2.78Å; E859-R863 VanDerWaalsContact O-CB 3.22Å; E859-R863 WeakPolarHBondContact O-CB 3.4Å; E859-R863 PolarHBondContact O-N 3.26Å
860	R	76.8	Confident	74.4	Confident	129 Å²	129	110 Å²	110	49%	0.487	52%	0.518	S	S	.	.	H	α-helix	trans	-66.4	-47	172.7	-170.7	-174.1	-60	145	-0.3	110.7	E852 E856 R857 R864	E852-R860 VanDerWaalsContact CD-NH1 3.3Å; E852-R860 IonicContact OE1-CZ 2.65Å; E852-R860 VanDerWaalsContact OE1-CZ 3.23Å; E852-R860 IonicContact OE1-NH1 2.68Å; E852-R860 PolarHBondContact OE1-NH1 3.22Å; E852-R860 IonicContact OE1-NH2 3.13Å; E852-R860 PolarHBondContact OE1-NH2 3.49Å; E852-R860 IonicContact OE2-CZ 3.14Å; E852-R860 IonicContact OE2-NH1 2.81Å; E852-R860 PolarHBondContact OE2-NH1 2.84Å; E856-R860 VanDerWaalsContact O-CB 3.26Å; E856-R860 WeakPolarHBondContact O-CB 3.11Å; E856-R860 PolarHBondContact O-N 3.32Å; R857-R860 PolarHBondContact O-N 3.21Å; R860-R864 PolarHBondContact O-N 2.91Å
861	E	78	Confident	74.8	Confident	89 Å²	89	110.8 Å²	110.8	42%	0.416	52%	0.515	S	S	.	.	H	α-helix	trans	-70.5	-42.7	-179	-166	60.8	-159.9	0	0	112.5	R857 R863 R864 L865	R857-E861 WeakPolarHBondContact O-CB 2.97Å; R857-E861 PolarHBondContact O-N 3.38Å; E861-R863 VanDerWaalsContact C-N 3.31Å; E861-R863 PolarHBondContact O-N 3.32Å; E861-R864 WeakPolarHBondContact O-CB 3.38Å; E861-R864 PolarHBondContact O-N 3.45Å; E861-L865 HydrophobicContact CG-CD1 4.21Å; E861-L865 WeakPolarHBondContact O-CB 3.41Å; E861-L865 VanDerWaalsContact O-CG 3.31Å; E861-L865 WeakPolarHBondContact O-CG 3.33Å; E861-L865 PolarHBondContact O-N 2.91Å
862	N	75.2	Confident	75.5	Confident	91 Å²	91	108 Å²	108	49%	0.487	51%	0.505	S	S	.	.	H	α-helix	trans	-63.1	-37.5	177.4	-168.6	16	0	0	0	111.7	Y858 L865 Q866	Y858-N862 WeakPolarHBondContact O-CB 3.44Å; Y858-N862 PolarHBondContact O-N 2.99Å; N862-L865 PolarHBondContact O-N 3.41Å; N862-Q866 WeakPolarHBondContact O-CB 3.49Å; N862-Q866 VanDerWaalsContact O-CG 3.26Å; N862-Q866 WeakPolarHBondContact O-CG 3.47Å; N862-Q866 PolarHBondContact O-N 3.2Å
863	R	83.1	Confident	76.6	Confident	136 Å²	136	110.5 Å²	110.5	51%	0.513	52%	0.517	S	S	.	.	H	α-helix	trans	-65.5	-43.5	173.2	-164.8	-173.3	-40.3	-104	-6	111.7	E859 E861 L865 Q866 E867	E859-R863 VanDerWaalsContact O-CB 3.22Å; E859-R863 WeakPolarHBondContact O-CB 3.4Å; E859-R863 PolarHBondContact O-N 3.26Å; E861-R863 VanDerWaalsContact C-N 3.31Å; E861-R863 PolarHBondContact O-N 3.32Å; R863-L865 VanDerWaalsContact C-N 3.34Å; R863-L865 PolarHBondContact O-N 3.26Å; R863-Q866 PolarHBondContact O-N 3.48Å; R863-E867 WeakPolarHBondContact O-CG 3.48Å; R863-E867 PolarHBondContact O-N 3.3Å
864	R	82.4	Confident	77.7	Confident	161 Å²	161	114.5 Å²	114.5	61%	0.608	53%	0.528	S	S	*	.	H	α-helix	trans	-60.6	-40.5	173.1	-176.2	-177.6	-177.3	157.9	4.4	112.3	R860 E861 E867 A868	R860-R864 PolarHBondContact O-N 2.91Å; E861-R864 WeakPolarHBondContact O-CB 3.38Å; E861-R864 PolarHBondContact O-N 3.45Å; R864-E867 PolarHBondContact O-N 3.38Å; R864-A868 VanDerWaalsContact O-CB 3.31Å; R864-A868 WeakPolarHBondContact O-CB 3.41Å; R864-A868 PolarHBondContact O-N 2.92Å
865	L	82.1	Confident	78.4	Confident	91 Å²	91	115.4 Å²	115.4	48%	0.476	53%	0.525	S	S	.	.	H	α-helix	trans	-69.7	-34	177	-70.9	168.5	0	0	0	112.3	E861 N862 R863 A868 N869	E861-L865 HydrophobicContact CG-CD1 4.21Å; E861-L865 WeakPolarHBondContact O-CB 3.41Å; E861-L865 VanDerWaalsContact O-CG 3.31Å; E861-L865 WeakPolarHBondContact O-CG 3.33Å; E861-L865 PolarHBondContact O-N 2.91Å; N862-L865 PolarHBondContact O-N 3.41Å; R863-L865 VanDerWaalsContact C-N 3.34Å; R863-L865 PolarHBondContact O-N 3.26Å; L865-A868 PolarHBondContact O-N 2.89Å; L865-N869 WeakPolarHBondContact O-CB 3.45Å; L865-N869 PolarHBondContact O-N 3.46Å; L865-N869 PolarHBondContact O-ND2 3.37Å
866	Q	81.5	Confident	79.2	Confident	107 Å²	107	114.8 Å²	114.8	50%	0.5	52%	0.523	S	S	.	.	H	α-helix	trans	-66.3	-47.2	171.1	-73.8	167.9	-3.3	0	0	111.4	N862 R863 A868 N869 M870	N862-Q866 WeakPolarHBondContact O-CB 3.49Å; N862-Q866 VanDerWaalsContact O-CG 3.26Å; N862-Q866 WeakPolarHBondContact O-CG 3.47Å; N862-Q866 PolarHBondContact O-N 3.2Å; R863-Q866 PolarHBondContact O-N 3.48Å; Q866-A868 VanDerWaalsContact C-N 3.28Å; Q866-A868 PolarHBondContact O-N 3.19Å; Q866-N869 PolarHBondContact O-N 3.37Å; Q866-M870 WeakPolarHBondContact O-CG 3.26Å; Q866-M870 PolarHBondContact O-N 2.91Å
867	E	82.2	Confident	79.9	Confident	106 Å²	106	114.6 Å²	114.6	50%	0.495	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-35.2	174.5	-71.8	170.9	-151.5	0	0	112.5	R863 R864 R871	R863-E867 WeakPolarHBondContact O-CG 3.48Å; R863-E867 PolarHBondContact O-N 3.3Å; R864-E867 PolarHBondContact O-N 3.38Å; E867-R871 WeakPolarHBondContact O-CG 3.47Å; E867-R871 PolarHBondContact O-N 3.21Å
868	A	79.9	Confident	80.5	Confident	41 Å²	41	113.5 Å²	113.5	34%	0.339	53%	0.529	S	S	.	.	H	α-helix	trans	-71.3	-43.6	175.4	0	0	0	0	0	112.4	R864 L865 Q866 R871 L872	R864-A868 VanDerWaalsContact O-CB 3.31Å; R864-A868 WeakPolarHBondContact O-CB 3.41Å; R864-A868 PolarHBondContact O-N 2.92Å; L865-A868 PolarHBondContact O-N 2.89Å; Q866-A868 VanDerWaalsContact C-N 3.28Å; Q866-A868 PolarHBondContact O-N 3.19Å; A868-R871 PolarHBondContact O-N 2.99Å; A868-L872 WeakPolarHBondContact O-CG 3.35Å; A868-L872 PolarHBondContact O-N 3.47Å
869	N	77.1	Confident	81	Confident	93 Å²	93	110.6 Å²	110.6	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-60.6	-46.3	174.8	-83.7	-32.2	0	0	0	111.5	L865 Q866 R871 L872 E873	L865-N869 WeakPolarHBondContact O-CB 3.45Å; L865-N869 PolarHBondContact O-N 3.46Å; L865-N869 PolarHBondContact O-ND2 3.37Å; Q866-N869 PolarHBondContact O-N 3.37Å; N869-R871 PolarHBondContact O-N 3.35Å; N869-L872 PolarHBondContact O-N 3.29Å; N869-L872 VanDerWaalsContact O-N 3.08Å; N869-E873 WeakPolarHBondContact O-CB 3.49Å; N869-E873 WeakPolarHBondContact O-CG 3.47Å; N869-E873 PolarHBondContact O-N 3.44Å
870	M	84.1	Confident	81.5	Confident	132 Å²	132	108 Å²	108	65%	0.65	52%	0.521	S	S	*	.	H	α-helix	trans	-59.6	-32.4	178.1	-72.5	-176.4	68.3	0	0	113.1	Q866 Q874	Q866-M870 WeakPolarHBondContact O-CG 3.26Å; Q866-M870 PolarHBondContact O-N 2.91Å; M870-Q874 WeakPolarHBondContact O-CB 3.5Å; M870-Q874 PolarHBondContact O-N 3.11Å; M870-Q874 VanDerWaalsContact O-N 3.16Å
871	R	84.3	Confident	82	Confident	165 Å²	165	108.3 Å²	108.3	62%	0.623	53%	0.527	S	S	*	.	H	α-helix	trans	-72.1	-44.6	173	-70.9	176.7	-169	-146.2	4.3	112.2	E867 A868 N869 E873 Q874 E875	E867-R871 WeakPolarHBondContact O-CG 3.47Å; E867-R871 PolarHBondContact O-N 3.21Å; A868-R871 PolarHBondContact O-N 2.99Å; N869-R871 PolarHBondContact O-N 3.35Å; R871-E873 VanDerWaalsContact C-N 3.3Å; R871-E873 PolarHBondContact O-N 3.23Å; R871-Q874 PolarHBondContact O-N 3.15Å; R871-E875 WeakPolarHBondContact O-CB 3.44Å; R871-E875 WeakPolarHBondContact O-CG 3.2Å; R871-E875 PolarHBondContact O-N 2.8Å
872	L	82.2	Confident	82.3	Confident	102 Å²	102	110.3 Å²	110.3	53%	0.534	54%	0.537	S	S	.	.	H	α-helix	trans	-65.7	-33.8	178.3	-69.9	169.9	0	0	0	112.2	A868 N869 N876	A868-L872 WeakPolarHBondContact O-CG 3.35Å; A868-L872 PolarHBondContact O-N 3.47Å; N869-L872 PolarHBondContact O-N 3.29Å; N869-L872 VanDerWaalsContact O-N 3.08Å; L872-N876 WeakPolarHBondContact O-CB 3.34Å; L872-N876 PolarHBondContact O-N 3.02Å
873	E	80.8	Confident	82.9	Confident	120 Å²	120	112 Å²	112	56%	0.561	55%	0.545	S	S	*	.	H	α-helix	trans	-62.5	-49.6	170.2	-72.9	170.9	159.1	0	0	110.3	N869 R871 N876 D877	N869-E873 WeakPolarHBondContact O-CB 3.49Å; N869-E873 WeakPolarHBondContact O-CG 3.47Å; N869-E873 PolarHBondContact O-N 3.44Å; R871-E873 VanDerWaalsContact C-N 3.3Å; R871-E873 PolarHBondContact O-N 3.23Å; E873-N876 PolarHBondContact O-N 3.34Å; E873-D877 PolarHBondContact O-N 3.34Å
874	Q	83.9	Confident	83.3	Confident	124 Å²	124	109.2 Å²	109.2	58%	0.579	54%	0.543	S	S	*	.	H	α-helix	trans	-65.9	-42.7	178.4	-174.3	170.5	-3.1	0	0	113.4	M870 R871 N876 D877 D878	M870-Q874 WeakPolarHBondContact O-CB 3.5Å; M870-Q874 PolarHBondContact O-N 3.11Å; M870-Q874 VanDerWaalsContact O-N 3.16Å; R871-Q874 PolarHBondContact O-N 3.15Å; Q874-N876 VanDerWaalsContact C-N 3.26Å; Q874-N876 PolarHBondContact O-N 3.42Å; Q874-D877 PolarHBondContact O-N 3.19Å; Q874-D878 WeakPolarHBondContact O-CB 3.46Å; Q874-D878 PolarHBondContact O-N 3.02Å
875	E	80	Confident	83.5	Confident	108 Å²	108	104.1 Å²	104.1	51%	0.505	53%	0.532	S	S	.	.	H	α-helix	trans	-61.4	-36.1	175.2	-74.5	169.8	-162.3	0	0	111.2	R871 L879	R871-E875 WeakPolarHBondContact O-CB 3.44Å; R871-E875 WeakPolarHBondContact O-CG 3.2Å; R871-E875 PolarHBondContact O-N 2.8Å; E875-L879 VanDerWaalsContact O-CB 3.3Å; E875-L879 WeakPolarHBondContact O-CB 3.14Å; E875-L879 WeakPolarHBondContact O-CD1 3.43Å; E875-L879 WeakPolarHBondContact O-CG 3.3Å; E875-L879 PolarHBondContact O-N 3.15Å
876	N	80.8	Confident	83.7	Confident	103 Å²	103	102.8 Å²	102.8	55%	0.551	53%	0.53	S	S	*	.	H	α-helix	trans	-72.5	-36.4	175.6	-180	74.2	0	0	0	112.7	L872 E873 Q874 A880	L872-N876 WeakPolarHBondContact O-CB 3.34Å; L872-N876 PolarHBondContact O-N 3.02Å; E873-N876 PolarHBondContact O-N 3.34Å; Q874-N876 VanDerWaalsContact C-N 3.26Å; Q874-N876 PolarHBondContact O-N 3.42Å; N876-A880 VanDerWaalsContact O-CB 3.31Å; N876-A880 WeakPolarHBondContact O-CB 3.47Å; N876-A880 PolarHBondContact O-N 3Å
877	D	84.6	Confident	84.1	Confident	110 Å²	110	105 Å²	105	59%	0.588	54%	0.538	S	S	*	.	H	α-helix	trans	-67.6	-42.3	172.8	-76.6	-13.9	0	0	0	111.8	E873 Q874 A880 H881	E873-D877 PolarHBondContact O-N 3.34Å; Q874-D877 PolarHBondContact O-N 3.19Å; D877-A880 PolarHBondContact O-N 2.88Å; D877-H881 WeakPolarHBondContact O-CB 3.42Å; D877-H881 PolarHBondContact O-N 3.24Å
878	D	83.5	Confident	84.5	Confident	100 Å²	100	105.3 Å²	105.3	54%	0.535	54%	0.542	S	S	.	.	H	α-helix	trans	-63.3	-44.6	175	-77.6	-31	0	0	0	111.1	Q874 A880 H881 E882	Q874-D878 WeakPolarHBondContact O-CB 3.46Å; Q874-D878 PolarHBondContact O-N 3.02Å; D878-A880 PolarHBondContact O-N 3.48Å; D878-H881 PolarHBondContact O-N 3.12Å; D878-E882 PolarHBondContact O-N 2.98Å
879	L	83.4	Confident	84.9	Confident	110 Å²	110	105.7 Å²	105.7	58%	0.576	55%	0.545	S	S	*	.	H	α-helix	trans	-62.7	-38.3	173.5	-77.8	167.7	0	0	0	112.6	E875 E882 L883	E875-L879 VanDerWaalsContact O-CB 3.3Å; E875-L879 WeakPolarHBondContact O-CB 3.14Å; E875-L879 WeakPolarHBondContact O-CD1 3.43Å; E875-L879 WeakPolarHBondContact O-CG 3.3Å; E875-L879 PolarHBondContact O-N 3.15Å; L879-E882 PolarHBondContact O-N 2.87Å; L879-L883 VanDerWaalsContact O-CB 3.27Å; L879-L883 WeakPolarHBondContact O-CB 3.45Å; L879-L883 PolarHBondContact O-N 3.39Å
880	A	85.6	Confident	85.4	Confident	50 Å²	50	106.9 Å²	106.9	41%	0.413	55%	0.551	S	S	.	*	H	α-helix	trans	-65.3	-40.7	174.6	0	0	0	0	0	111.4	N876 D877 D878 L883 V884	N876-A880 VanDerWaalsContact O-CB 3.31Å; N876-A880 WeakPolarHBondContact O-CB 3.47Å; N876-A880 PolarHBondContact O-N 3Å; D877-A880 PolarHBondContact O-N 2.88Å; D878-A880 PolarHBondContact O-N 3.48Å; A880-L883 PolarHBondContact O-N 3.04Å; A880-V884 WeakPolarHBondContact O-CB 3.45Å; A880-V884 VanDerWaalsContact O-CG2 3.31Å; A880-V884 WeakPolarHBondContact O-CG2 3.45Å; A880-V884 PolarHBondContact O-N 3.29Å
881	H	87.6	Confident	85.8	Confident	135 Å²	135	106.6 Å²	106.6	63%	0.625	54%	0.543	S	S	*	.	H	α-helix	trans	-65.7	-42	175.4	-174.9	-80.9	0	0	0	112.3	D877 D878 V884 S885	D877-H881 WeakPolarHBondContact O-CB 3.42Å; D877-H881 PolarHBondContact O-N 3.24Å; D878-H881 PolarHBondContact O-N 3.12Å; H881-V884 PolarHBondContact O-N 3.48Å; H881-S885 WeakPolarHBondContact O-CB 3.33Å; H881-S885 PolarHBondContact O-N 2.96Å; H881-S885 PolarHBondContact O-OG 3.01Å
882	E	83.8	Confident	86.1	Confident	132 Å²	132	105.2 Å²	105.2	62%	0.617	54%	0.541	S	S	*	.	H	α-helix	trans	-63.4	-45.1	174.3	-175.1	173.3	-154.3	0	0	111.5	D878 L879 V884 S885 S886	D878-E882 PolarHBondContact O-N 2.98Å; L879-E882 PolarHBondContact O-N 2.87Å; E882-V884 PolarHBondContact O-N 3.24Å; E882-S885 WeakPolarHBondContact O-CB 3.49Å; E882-S885 PolarHBondContact O-N 3.16Å; E882-S885 VanDerWaalsContact O-N 3.17Å; E882-S886 WeakPolarHBondContact O-CB 3.45Å; E882-S886 PolarHBondContact O-N 2.91Å
883	L	88.5	Confident	86.5	Confident	125 Å²	125	105 Å²	105	65%	0.654	54%	0.541	S	S	*	.	H	α-helix	trans	-64.1	-38.1	178.6	-174.3	134.3	0	0	0	112.4	L879 A880 K887	L879-L883 VanDerWaalsContact O-CB 3.27Å; L879-L883 WeakPolarHBondContact O-CB 3.45Å; L879-L883 PolarHBondContact O-N 3.39Å; A880-L883 PolarHBondContact O-N 3.04Å; L883-K887 VanDerWaalsContact O-CB 3.24Å; L883-K887 WeakPolarHBondContact O-CB 3.5Å; L883-K887 PolarHBondContact O-N 3.47Å
884	V	91.3	Very high	87	Confident	79 Å²	79	103 Å²	103	48%	0.479	53%	0.533	S	S	.	.	H	α-helix	trans	-65.3	-44.6	171.2	168.1	0	0	0	0	111.2	A880 H881 E882 K887 I888	A880-V884 WeakPolarHBondContact O-CB 3.45Å; A880-V884 VanDerWaalsContact O-CG2 3.31Å; A880-V884 WeakPolarHBondContact O-CG2 3.45Å; A880-V884 PolarHBondContact O-N 3.29Å; H881-V884 PolarHBondContact O-N 3.48Å; E882-V884 PolarHBondContact O-N 3.24Å; V884-K887 PolarHBondContact O-N 2.86Å; V884-I888 HydrophobicContact CG1-CD1 3.87Å; V884-I888 WeakPolarHBondContact O-CG1 3.47Å; V884-I888 PolarHBondContact O-N 3.22Å
885	S	86.1	Confident	87.4	Confident	54 Å²	54	100.2 Å²	100.2	38%	0.378	52%	0.522	S	S	.	.	H	α-helix	trans	-62.4	-45.3	179.2	-60.2	0	0	0	0	112	H881 E882 I888 A889	H881-S885 WeakPolarHBondContact O-CB 3.33Å; H881-S885 PolarHBondContact O-N 2.96Å; H881-S885 PolarHBondContact O-OG 3.01Å; E882-S885 WeakPolarHBondContact O-CB 3.49Å; E882-S885 PolarHBondContact O-N 3.16Å; E882-S885 VanDerWaalsContact O-N 3.17Å; S885-I888 PolarHBondContact O-N 2.94Å; S885-A889 PolarHBondContact O-N 2.81Å
886	S	87.1	Confident	87.9	Confident	63 Å²	63	97.6 Å²	97.6	44%	0.441	51%	0.512	S	S	.	.	H	α-helix	trans	-61.8	-43.8	175.1	-178.7	0	0	0	0	111.7	E882 I888 A889 L890	E882-S886 WeakPolarHBondContact O-CB 3.45Å; E882-S886 PolarHBondContact O-N 2.91Å; S886-I888 VanDerWaalsContact C-N 3.32Å; S886-I888 PolarHBondContact O-N 3.15Å; S886-A889 PolarHBondContact O-N 3.29Å; S886-L890 WeakPolarHBondContact O-CB 3.31Å; S886-L890 WeakPolarHBondContact O-CG 3.39Å; S886-L890 PolarHBondContact O-N 2.85Å
887	K	89.6	Confident	88.4	Confident	153 Å²	153	95.1 Å²	95.1	67%	0.665	51%	0.506	S	S	*	.	H	α-helix	trans	-61	-37.4	174.7	-177.6	-179	177.8	-175.9	0	112.9	L883 V884 R891	L883-K887 VanDerWaalsContact O-CB 3.24Å; L883-K887 WeakPolarHBondContact O-CB 3.5Å; L883-K887 PolarHBondContact O-N 3.47Å; V884-K887 PolarHBondContact O-N 2.86Å; K887-R891 WeakPolarHBondContact O-CB 3.34Å; K887-R891 PolarHBondContact O-N 2.82Å
888	I	89.8	Confident	88.8	Confident	112 Å²	112	94.8 Å²	94.8	57%	0.574	50%	0.5	S	S	*	.	H	α-helix	trans	-67.9	-43.3	175.2	-69.1	163.9	0	0	0	110.7	V884 S885 S886 R891 K892	V884-I888 HydrophobicContact CG1-CD1 3.87Å; V884-I888 WeakPolarHBondContact O-CG1 3.47Å; V884-I888 PolarHBondContact O-N 3.22Å; S885-I888 PolarHBondContact O-N 2.94Å; S886-I888 VanDerWaalsContact C-N 3.32Å; S886-I888 PolarHBondContact O-N 3.15Å; I888-R891 PolarHBondContact O-N 3.39Å; I888-K892 PolarHBondContact O-N 2.98Å
889	A	88.3	Confident	89.3	Confident	49 Å²	49	97 Å²	97	41%	0.405	51%	0.507	S	S	.	.	H	α-helix	trans	-61.5	-49.4	175.8	0	0	0	0	0	111.8	S885 S886 R891 K892 D893	S885-A889 PolarHBondContact O-N 2.81Å; S886-A889 PolarHBondContact O-N 3.29Å; A889-R891 VanDerWaalsContact C-N 3.3Å; A889-R891 PolarHBondContact O-N 3.49Å; A889-K892 WeakPolarHBondContact O-CB 3.24Å; A889-K892 PolarHBondContact O-N 3.03Å; A889-K892 VanDerWaalsContact O-N 3.16Å; A889-D893 PolarHBondContact O-N 3Å
890	L	88.4	Confident	89.6	Confident	118 Å²	118	98.3 Å²	98.3	62%	0.618	51%	0.509	S	S	*	.	H	α-helix	trans	-60.4	-36.3	176.8	-71.6	170.8	0	0	0	112.9	S886 D893 L894	S886-L890 WeakPolarHBondContact O-CB 3.31Å; S886-L890 WeakPolarHBondContact O-CG 3.39Å; S886-L890 PolarHBondContact O-N 2.85Å; L890-D893 PolarHBondContact O-N 3.26Å; L890-L894 WeakPolarHBondContact O-CB 3.37Å; L890-L894 PolarHBondContact O-N 3.49Å
891	R	91.6	Very high	89.9	Confident	126 Å²	126	98.6 Å²	98.6	48%	0.475	51%	0.511	S	S	.	.	H	α-helix	trans	-64.5	-48.4	174	-175.5	68.5	-136.4	-179	6.8	111	K887 I888 A889 D893 L894 D895	K887-R891 WeakPolarHBondContact O-CB 3.34Å; K887-R891 PolarHBondContact O-N 2.82Å; I888-R891 PolarHBondContact O-N 3.39Å; A889-R891 VanDerWaalsContact C-N 3.3Å; A889-R891 PolarHBondContact O-N 3.49Å; R891-D893 VanDerWaalsContact C-N 3.29Å; R891-D893 PolarHBondContact O-N 2.75Å; R891-L894 WeakPolarHBondContact O-CB 3.33Å; R891-L894 PolarHBondContact O-N 3.06Å; R891-D895 IonicContact CZ-OD1 3.19Å; R891-D895 IonicContact NE-OD1 2.81Å; R891-D895 PolarHBondContact NE-OD1 3.44Å; R891-D895 IonicContact NE-OD2 2.9Å; R891-D895 IonicContact NH2-OD1 2.76Å; R891-D895 PolarHBondContact NH2-OD1 3Å; R891-D895 PolarHBondContact O-N 3.06Å; R891-D895 VanDerWaalsContact O-OD2 3.14Å
892	K	90.6	Very high	90.2	Very high	137 Å²	137	97.7 Å²	97.7	60%	0.596	51%	0.511	S	S	*	.	H	α-helix	trans	-58.6	-39.9	177	-175.9	-174.1	178.2	-173.9	0	112.1	I888 A889 D895 N896	I888-K892 PolarHBondContact O-N 2.98Å; A889-K892 WeakPolarHBondContact O-CB 3.24Å; A889-K892 PolarHBondContact O-N 3.03Å; A889-K892 VanDerWaalsContact O-N 3.16Å; K892-D895 PolarHBondContact O-N 3.12Å; K892-N896 WeakPolarHBondContact O-CB 3.31Å; K892-N896 PolarHBondContact O-N 3.15Å; K892-N896 PolarHBondContact O-ND2 3.23Å; K892-N896 VanDerWaalsContact O-ND2 3.11Å
893	D	90.8	Very high	90.5	Very high	98 Å²	98	93.9 Å²	93.9	52%	0.524	50%	0.502	S	S	.	.	H	α-helix	trans	-74.5	-28.6	178.9	-74.8	-23.6	0	0	0	113.6	A889 L890 R891 N896 A897	A889-D893 PolarHBondContact O-N 3Å; L890-D893 PolarHBondContact O-N 3.26Å; R891-D893 VanDerWaalsContact C-N 3.29Å; R891-D893 PolarHBondContact O-N 2.75Å; D893-N896 PolarHBondContact OD1-ND2 2.91Å; D893-N896 VanDerWaalsContact OD1-ND2 3.15Å; D893-A897 WeakPolarHBondContact O-CB 3.27Å; D893-A897 PolarHBondContact O-N 2.93Å; D893-A897 VanDerWaalsContact O-N 3.1Å
894	L	91.4	Very high	90.7	Very high	77 Å²	77	93.4 Å²	93.4	40%	0.403	50%	0.5	S	S	.	.	H	α-helix	trans	-65.7	-48.4	166.3	176.9	62.6	0	0	0	111.2	L890 R891 N896 A897 E898	L890-L894 WeakPolarHBondContact O-CB 3.37Å; L890-L894 PolarHBondContact O-N 3.49Å; R891-L894 WeakPolarHBondContact O-CB 3.33Å; R891-L894 PolarHBondContact O-N 3.06Å; L894-N896 VanDerWaalsContact C-N 3.32Å; L894-N896 PolarHBondContact O-N 3.07Å; L894-A897 WeakPolarHBondContact O-CA 3.47Å; L894-A897 WeakPolarHBondContact O-CB 3.31Å; L894-A897 PolarHBondContact O-N 3.31Å; L894-E898 HydrophobicContact CD1-CG 4.44Å; L894-E898 PolarHBondContact O-N 2.87Å
895	D	92.5	Very high	90.7	Very high	65 Å²	65	94 Å²	94	35%	0.348	50%	0.5	S	S	.	.	H	α-helix	trans	-59.9	-43.6	178.2	-56.4	-30.3	0	0	0	110.6	R891 K892 A897 E898 E899	R891-D895 IonicContact CZ-OD1 3.19Å; R891-D895 IonicContact NE-OD1 2.81Å; R891-D895 PolarHBondContact NE-OD1 3.44Å; R891-D895 IonicContact NE-OD2 2.9Å; R891-D895 IonicContact NH2-OD1 2.76Å; R891-D895 PolarHBondContact NH2-OD1 3Å; R891-D895 PolarHBondContact O-N 3.06Å; R891-D895 VanDerWaalsContact O-OD2 3.14Å; K892-D895 PolarHBondContact O-N 3.12Å; D895-A897 PolarHBondContact O-N 3Å; D895-E898 PolarHBondContact O-N 3.21Å; D895-E899 PolarHBondContact O-N 3.38Å
896	N	90.8	Very high	91.1	Very high	54 Å²	54	98.6 Å²	98.6	29%	0.289	51%	0.513	S	S	.	.	H	α-helix	trans	-59.1	-29.1	171.7	-74.4	-35.3	0	0	0	113.6	K892 D893 L894 K900	K892-N896 WeakPolarHBondContact O-CB 3.31Å; K892-N896 PolarHBondContact O-N 3.15Å; K892-N896 PolarHBondContact O-ND2 3.23Å; K892-N896 VanDerWaalsContact O-ND2 3.11Å; D893-N896 PolarHBondContact OD1-ND2 2.91Å; D893-N896 VanDerWaalsContact OD1-ND2 3.15Å; L894-N896 VanDerWaalsContact C-N 3.32Å; L894-N896 PolarHBondContact O-N 3.07Å; N896-K900 VanDerWaalsContact O-CD 3.27Å; N896-K900 WeakPolarHBondContact O-CD 3.39Å; N896-K900 WeakPolarHBondContact O-CE 3.5Å; N896-K900 VanDerWaalsContact O-CG 3.25Å; N896-K900 WeakPolarHBondContact O-CG 3.35Å
897	A	90.4	Very high	91.3	Very high	50 Å²	50	101.5 Å²	101.5	41%	0.413	52%	0.52	S	S	.	.	H	α-helix	trans	-83.3	-37	179.2	0	0	0	0	0	111.6	D893 L894 D895 K900 A901	D893-A897 WeakPolarHBondContact O-CB 3.27Å; D893-A897 PolarHBondContact O-N 2.93Å; D893-A897 VanDerWaalsContact O-N 3.1Å; L894-A897 WeakPolarHBondContact O-CA 3.47Å; L894-A897 WeakPolarHBondContact O-CB 3.31Å; L894-A897 PolarHBondContact O-N 3.31Å; D895-A897 PolarHBondContact O-N 3Å; A897-K900 PolarHBondContact O-N 2.81Å; A897-A901 WeakPolarHBondContact O-CB 3.47Å; A897-A901 PolarHBondContact O-N 3.44Å
898	E	93.1	Very high	91.4	Very high	103 Å²	103	98.2 Å²	98.2	48%	0.481	51%	0.509	S	S	.	.	H	α-helix	trans	-62.2	-46.4	172.7	-70.3	179.7	-170.3	0	0	110.8	L894 D895 K900 A901 D902	L894-E898 HydrophobicContact CD1-CG 4.44Å; L894-E898 PolarHBondContact O-N 2.87Å; D895-E898 PolarHBondContact O-N 3.21Å; E898-K900 VanDerWaalsContact C-N 3.33Å; E898-K900 PolarHBondContact O-N 3.17Å; E898-A901 WeakPolarHBondContact O-CB 3.5Å; E898-A901 PolarHBondContact O-N 2.96Å; E898-A901 VanDerWaalsContact O-N 3.15Å; E898-D902 PolarHBondContact O-N 3.46Å
899	E	93.7	Very high	91.5	Very high	146 Å²	146	98.6 Å²	98.6	68%	0.682	51%	0.512	S	S	*	.	H	α-helix	trans	-57.6	-41.9	174.5	-73.8	-166.9	167.8	0	0	113	D895 D902 A903	D895-E899 PolarHBondContact O-N 3.38Å; E899-D902 PolarHBondContact O-N 2.92Å; E899-A903 WeakPolarHBondContact O-CB 3.45Å; E899-A903 PolarHBondContact O-N 3.47Å
900	K	91.3	Very high	91.7	Very high	138 Å²	138	100.9 Å²	100.9	60%	0.6	52%	0.517	S	S	*	.	H	α-helix	trans	-67.6	-38.7	177.2	-72.6	167.3	-168.9	165.3	0	111.9	N896 A897 E898 A903 L904	N896-K900 VanDerWaalsContact O-CD 3.27Å; N896-K900 WeakPolarHBondContact O-CD 3.39Å; N896-K900 WeakPolarHBondContact O-CE 3.5Å; N896-K900 VanDerWaalsContact O-CG 3.25Å; N896-K900 WeakPolarHBondContact O-CG 3.35Å; A897-K900 PolarHBondContact O-N 2.81Å; E898-K900 VanDerWaalsContact C-N 3.33Å; E898-K900 PolarHBondContact O-N 3.17Å; K900-A903 PolarHBondContact O-N 2.91Å; K900-L904 WeakPolarHBondContact O-CB 3.45Å; K900-L904 VanDerWaalsContact O-CG 3.31Å; K900-L904 WeakPolarHBondContact O-CG 3.27Å; K900-L904 PolarHBondContact O-N 3.08Å
901	A	91.4	Very high	91.8	Very high	57 Å²	57	99.4 Å²	99.4	47%	0.471	51%	0.513	S	S	.	.	H	α-helix	trans	-63.6	-43.9	176.7	0	0	0	0	0	111.2	A897 E898 L904 N905	A897-A901 WeakPolarHBondContact O-CB 3.47Å; A897-A901 PolarHBondContact O-N 3.44Å; E898-A901 WeakPolarHBondContact O-CB 3.5Å; E898-A901 PolarHBondContact O-N 2.96Å; E898-A901 VanDerWaalsContact O-N 3.15Å; A901-L904 PolarHBondContact O-N 3.31Å; A901-N905 VanDerWaalsContact O-CB 3.23Å; A901-N905 WeakPolarHBondContact O-CB 3.35Å; A901-N905 PolarHBondContact O-N 2.99Å
902	D	93.6	Very high	91.8	Very high	115 Å²	115	98.7 Å²	98.7	62%	0.615	51%	0.513	S	S	*	.	H	α-helix	trans	-67.4	-38.9	176.5	-98.2	-5.2	0	0	0	112.8	E898 E899 N905 K906	E898-D902 PolarHBondContact O-N 3.46Å; E899-D902 PolarHBondContact O-N 2.92Å; D902-N905 PolarHBondContact O-N 2.99Å; D902-K906 VanDerWaalsContact O-CB 3.32Å; D902-K906 WeakPolarHBondContact O-CB 3.25Å; D902-K906 PolarHBondContact O-N 2.94Å
903	A	90.8	Very high	91.9	Very high	53 Å²	53	96.9 Å²	96.9	44%	0.438	51%	0.507	S	S	.	.	H	α-helix	trans	-59.6	-49.8	172.9	0	0	0	0	0	111.7	E899 K900 N905 K906 E907	E899-A903 WeakPolarHBondContact O-CB 3.45Å; E899-A903 PolarHBondContact O-N 3.47Å; K900-A903 PolarHBondContact O-N 2.91Å; A903-N905 PolarHBondContact O-N 3.42Å; A903-K906 WeakPolarHBondContact O-CB 3.32Å; A903-K906 PolarHBondContact O-N 3.29Å; A903-E907 PolarHBondContact O-N 2.92Å
904	L	91.1	Very high	91.8	Very high	114 Å²	114	98.9 Å²	98.9	60%	0.597	51%	0.511	S	S	*	.	H	α-helix	trans	-64.1	-37.9	177.2	-72.3	169.7	0	0	0	112.4	K900 A901 K906 E907 L908	K900-L904 WeakPolarHBondContact O-CB 3.45Å; K900-L904 VanDerWaalsContact O-CG 3.31Å; K900-L904 WeakPolarHBondContact O-CG 3.27Å; K900-L904 PolarHBondContact O-N 3.08Å; A901-L904 PolarHBondContact O-N 3.31Å; L904-K906 VanDerWaalsContact C-N 3.35Å; L904-E907 PolarHBondContact O-N 3.31Å; L904-L908 VanDerWaalsContact O-CB 3.26Å; L904-L908 WeakPolarHBondContact O-CB 3.43Å; L904-L908 PolarHBondContact O-N 3.48Å
905	N	92.6	Very high	91.7	Very high	93 Å²	93	99.9 Å²	99.9	50%	0.497	52%	0.516	S	S	.	.	H	α-helix	trans	-65.7	-38.5	176.6	-170.9	25.1	0	0	0	111.6	A901 D902 A903 L908 L909	A901-N905 VanDerWaalsContact O-CB 3.23Å; A901-N905 WeakPolarHBondContact O-CB 3.35Å; A901-N905 PolarHBondContact O-N 2.99Å; D902-N905 PolarHBondContact O-N 2.99Å; A903-N905 PolarHBondContact O-N 3.42Å; N905-L908 PolarHBondContact O-N 2.97Å; N905-L909 WeakPolarHBondContact O-CB 3.45Å; N905-L909 PolarHBondContact O-N 3.36Å
906	K	93.3	Very high	91.8	Very high	149 Å²	149	100.8 Å²	100.8	65%	0.648	52%	0.52	S	S	*	.	H	α-helix	trans	-66.1	-42.6	173.7	-174.6	178.4	-179.5	179.7	0	112.2	D902 A903 L904 L909 L910	D902-K906 VanDerWaalsContact O-CB 3.32Å; D902-K906 WeakPolarHBondContact O-CB 3.25Å; D902-K906 PolarHBondContact O-N 2.94Å; A903-K906 WeakPolarHBondContact O-CB 3.32Å; A903-K906 PolarHBondContact O-N 3.29Å; L904-K906 VanDerWaalsContact C-N 3.35Å; K906-L909 PolarHBondContact O-N 3.44Å; K906-L910 WeakPolarHBondContact O-CG 3.39Å; K906-L910 PolarHBondContact O-N 3.45Å
907	E	91.8	Very high	91.8	Very high	125 Å²	125	103.2 Å²	103.2	58%	0.584	53%	0.53	S	S	*	.	H	α-helix	trans	-65.3	-40	173.3	-71.3	-166.2	158.8	0	0	112.4	A903 L904 L909 L910 T911	A903-E907 PolarHBondContact O-N 2.92Å; L904-E907 PolarHBondContact O-N 3.31Å; E907-L909 VanDerWaalsContact C-N 3.33Å; E907-L909 PolarHBondContact O-N 3.18Å; E907-L910 PolarHBondContact O-N 3.33Å; E907-T911 VanDerWaalsContact O-CB 3.29Å; E907-T911 WeakPolarHBondContact O-CB 3.4Å; E907-T911 PolarHBondContact O-N 3.06Å; E907-T911 PolarHBondContact O-OG1 3.4Å
908	L	91.1	Very high	91.6	Very high	84 Å²	84	104.4 Å²	104.4	44%	0.44	54%	0.535	S	S	.	.	H	α-helix	trans	-61.7	-40.9	174.4	179.2	63.1	0	0	0	111.5	L904 N905 T911 K912	L904-L908 VanDerWaalsContact O-CB 3.26Å; L904-L908 WeakPolarHBondContact O-CB 3.43Å; L904-L908 PolarHBondContact O-N 3.48Å; N905-L908 PolarHBondContact O-N 2.97Å; L908-T911 PolarHBondContact O-N 3Å; L908-K912 HydrophobicContact CD1-CD 4.48Å; L908-K912 HydrophobicContact CG-CD 4.26Å; L908-K912 WeakPolarHBondContact O-CB 3.47Å; L908-K912 VanDerWaalsContact O-CG 3.3Å; L908-K912 WeakPolarHBondContact O-CG 3.48Å; L908-K912 PolarHBondContact O-N 3.11Å
909	L	93.3	Very high	91.5	Very high	120 Å²	120	104.5 Å²	104.5	63%	0.628	54%	0.536	S	S	*	.	H	α-helix	trans	-65.7	-46.4	176.3	-173.8	65.1	0	0	0	111.6	N905 K906 E907 T911 K912 Q913	N905-L909 WeakPolarHBondContact O-CB 3.45Å; N905-L909 PolarHBondContact O-N 3.36Å; K906-L909 PolarHBondContact O-N 3.44Å; E907-L909 VanDerWaalsContact C-N 3.33Å; E907-L909 PolarHBondContact O-N 3.18Å; L909-T911 VanDerWaalsContact C-N 3.27Å; L909-T911 PolarHBondContact O-N 3.2Å; L909-K912 PolarHBondContact O-N 2.89Å; L909-Q913 PolarHBondContact O-N 3.41Å
910	L	92.3	Very high	91.3	Very high	97 Å²	97	101.2 Å²	101.2	51%	0.508	52%	0.523	S	S	.	.	H	α-helix	trans	-61.3	-35.3	174.5	-71.8	169	0	0	0	112.3	K906 E907 K914	K906-L910 WeakPolarHBondContact O-CG 3.39Å; K906-L910 PolarHBondContact O-N 3.45Å; E907-L910 PolarHBondContact O-N 3.33Å; L910-K914 WeakPolarHBondContact O-CG 3.47Å; L910-K914 PolarHBondContact O-N 2.95Å; L910-K914 VanDerWaalsContact O-N 3.11Å
911	T	89.6	Confident	91.3	Very high	87 Å²	87	99.2 Å²	99.2	53%	0.534	52%	0.515	S	S	.	.	H	α-helix	trans	-73	-40.7	178.1	-58.5	0	0	0	0	111.7	E907 L908 L909 Q913 K914 L915	E907-T911 VanDerWaalsContact O-CB 3.29Å; E907-T911 WeakPolarHBondContact O-CB 3.4Å; E907-T911 PolarHBondContact O-N 3.06Å; E907-T911 PolarHBondContact O-OG1 3.4Å; L908-T911 PolarHBondContact O-N 3Å; L909-T911 VanDerWaalsContact C-N 3.27Å; L909-T911 PolarHBondContact O-N 3.2Å; T911-Q913 VanDerWaalsContact C-N 3.35Å; T911-K914 PolarHBondContact O-N 2.97Å; T911-L915 WeakPolarHBondContact O-CB 3.24Å; T911-L915 PolarHBondContact O-N 3.27Å
912	K	91.7	Very high	91.1	Very high	110 Å²	110	102.1 Å²	102.1	48%	0.478	52%	0.517	S	S	.	.	H	α-helix	trans	-60.9	-42.3	171.6	-76	167.9	178	171.2	0	111.9	L908 L909 L915 I916	L908-K912 HydrophobicContact CD1-CD 4.48Å; L908-K912 HydrophobicContact CG-CD 4.26Å; L908-K912 WeakPolarHBondContact O-CB 3.47Å; L908-K912 VanDerWaalsContact O-CG 3.3Å; L908-K912 WeakPolarHBondContact O-CG 3.48Å; L908-K912 PolarHBondContact O-N 3.11Å; L909-K912 PolarHBondContact O-N 2.89Å; K912-L915 WeakPolarHBondContact O-CB 3.41Å; K912-L915 PolarHBondContact O-N 2.95Å; K912-I916 WeakPolarHBondContact O-CG1 3.43Å; K912-I916 PolarHBondContact O-N 3.5Å
913	Q	92.5	Very high	90.9	Very high	99 Å²	99	102.9 Å²	102.9	46%	0.463	51%	0.512	S	S	.	.	H	α-helix	trans	-61.1	-49.1	177	-178	57.8	33.6	0	0	111.6	L909 T911 L915 I916 E917	L909-Q913 PolarHBondContact O-N 3.41Å; T911-Q913 VanDerWaalsContact C-N 3.35Å; Q913-L915 VanDerWaalsContact C-N 3.28Å; Q913-L915 PolarHBondContact O-N 3Å; Q913-I916 PolarHBondContact O-N 2.92Å; Q913-E917 WeakPolarHBondContact CG-OE1 3.46Å; Q913-E917 PolarHBondContact NE2-OE1 3.04Å; Q913-E917 WeakPolarHBondContact O-CG 3.41Å; Q913-E917 PolarHBondContact O-N 3.36Å
914	K	90.3	Very high	90.9	Very high	140 Å²	140	105.7 Å²	105.7	61%	0.609	51%	0.511	S	S	*	.	H	α-helix	trans	-61.2	-33.8	175.1	-71.6	171.2	-177.3	175.8	0	113.2	L910 T911 S918	L910-K914 WeakPolarHBondContact O-CG 3.47Å; L910-K914 PolarHBondContact O-N 2.95Å; L910-K914 VanDerWaalsContact O-N 3.11Å; T911-K914 PolarHBondContact O-N 2.97Å; K914-S918 WeakPolarHBondContact O-CB 3.34Å; K914-S918 PolarHBondContact O-N 3.1Å
915	L	88.6	Confident	90.7	Very high	98 Å²	98	104.3 Å²	104.3	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-65.6	-47.5	175.6	179.9	61.6	0	0	0	111	T911 K912 Q913 E917 S918 E919	T911-L915 WeakPolarHBondContact O-CB 3.24Å; T911-L915 PolarHBondContact O-N 3.27Å; K912-L915 WeakPolarHBondContact O-CB 3.41Å; K912-L915 PolarHBondContact O-N 2.95Å; Q913-L915 VanDerWaalsContact C-N 3.28Å; Q913-L915 PolarHBondContact O-N 3Å; L915-E917 PolarHBondContact O-N 3.19Å; L915-S918 CarbonylContact O-C 3.58Å; L915-S918 PolarHBondContact O-N 3.34Å; L915-E919 HydrophobicContact CD1-CG 4.35Å; L915-E919 WeakPolarHBondContact O-CG 3.5Å; L915-E919 PolarHBondContact O-N 3.02Å
916	I	94	Very high	90.3	Very high	84 Å²	84	105.4 Å²	105.4	43%	0.431	51%	0.506	S	S	.	.	H	α-helix	trans	-59.3	-46.9	176.7	-66.2	162.5	0	0	0	110.6	K912 Q913 S918 E919 D920	K912-I916 WeakPolarHBondContact O-CG1 3.43Å; K912-I916 PolarHBondContact O-N 3.5Å; Q913-I916 PolarHBondContact O-N 2.92Å; I916-S918 VanDerWaalsContact C-N 3.31Å; I916-S918 PolarHBondContact O-N 3.37Å; I916-E919 PolarHBondContact O-N 2.97Å; I916-E919 VanDerWaalsContact O-N 3.13Å; I916-D920 PolarHBondContact O-N 3.15Å
917	E	91.6	Very high	90.2	Very high	105 Å²	105	103.3 Å²	103.3	49%	0.491	50%	0.498	S	S	.	.	H	α-helix	trans	-57.9	-42.5	175.9	-71.6	164.1	-175.4	0	0	111.8	Q913 L915 E921	Q913-E917 WeakPolarHBondContact CG-OE1 3.46Å; Q913-E917 PolarHBondContact NE2-OE1 3.04Å; Q913-E917 WeakPolarHBondContact O-CG 3.41Å; Q913-E917 PolarHBondContact O-N 3.36Å; L915-E917 PolarHBondContact O-N 3.19Å; E917-E921 WeakPolarHBondContact O-CB 3.47Å; E917-E921 PolarHBondContact O-N 3.16Å
918	S	86.2	Confident	90	Very high	75 Å²	75	101.5 Å²	101.5	52%	0.524	49%	0.49	S	S	.	.	H	α-helix	trans	-71.4	-29	176	-173.4	0	0	0	0	113.7	K914 L915 I916 K922	K914-S918 WeakPolarHBondContact O-CB 3.34Å; K914-S918 PolarHBondContact O-N 3.1Å; L915-S918 CarbonylContact O-C 3.58Å; L915-S918 PolarHBondContact O-N 3.34Å; I916-S918 VanDerWaalsContact C-N 3.31Å; I916-S918 PolarHBondContact O-N 3.37Å; S918-K922 VanDerWaalsContact O-CB 3.26Å; S918-K922 WeakPolarHBondContact O-CB 3.31Å; S918-K922 PolarHBondContact O-N 3.15Å; S918-K922 VanDerWaalsContact O-N 3.08Å
919	E	90.1	Very high	89.5	Confident	106 Å²	106	99.7 Å²	99.7	50%	0.495	48%	0.484	S	S	.	.	H	α-helix	trans	-74.1	-37.2	175.4	-76.3	-172.8	158.1	0	0	111.7	L915 I916 K922 R923	L915-E919 HydrophobicContact CD1-CG 4.35Å; L915-E919 WeakPolarHBondContact O-CG 3.5Å; L915-E919 PolarHBondContact O-N 3.02Å; I916-E919 PolarHBondContact O-N 2.97Å; I916-E919 VanDerWaalsContact O-N 3.13Å; E919-K922 PolarHBondContact O-N 2.83Å; E919-R923 WeakPolarHBondContact O-CB 3.29Å; E919-R923 PolarHBondContact O-N 3.34Å
920	D	91.2	Very high	89.1	Confident	77 Å²	77	96.5 Å²	96.5	41%	0.412	48%	0.475	S	S	.	.	H	α-helix	trans	-77.2	-34.8	175.2	-79.1	-26.7	0	0	0	113	I916 K922 R923 R924	I916-D920 PolarHBondContact O-N 3.15Å; D920-K922 VanDerWaalsContact C-N 3.33Å; D920-R923 WeakPolarHBondContact O-CB 3.26Å; D920-R923 PolarHBondContact O-N 3.49Å; D920-R923 IonicContact OD1-CZ 3.67Å; D920-R923 IonicContact OD1-NE 2.74Å; D920-R923 PolarHBondContact OD1-NE 3.43Å; D920-R923 IonicContact OD1-NH2 3.71Å; D920-R923 PolarHBondContact OD1-NH2 2.9Å; D920-R924 PolarHBondContact O-N 3.26Å
921	E	89.9	Confident	88.9	Confident	95 Å²	95	98.1 Å²	98.1	44%	0.444	48%	0.48	S	S	.	.	H	α-helix	trans	-57.8	-47.4	166.4	-179.7	92.8	-109.5	0	0	110.3	E917 R923 R924 L925	E917-E921 WeakPolarHBondContact O-CB 3.47Å; E917-E921 PolarHBondContact O-N 3.16Å; E921-R923 PolarHBondContact O-N 2.99Å; E921-R924 PolarHBondContact O-N 2.98Å; E921-R924 IonicContact OE1-CZ 3.18Å; E921-R924 IonicContact OE1-NH1 2.76Å; E921-R924 PolarHBondContact OE1-NH1 3.43Å; E921-R924 IonicContact OE1-NH2 2.76Å; E921-R924 PolarHBondContact OE1-NH2 3.17Å; E921-L925 HydrophobicContact CG-CD1 4.22Å; E921-L925 WeakPolarHBondContact O-CG 3.44Å; E921-L925 PolarHBondContact O-N 3.43Å
922	K	87.3	Confident	88.6	Confident	118 Å²	118	99.1 Å²	99.1	51%	0.513	48%	0.481	S	S	.	.	H	α-helix	trans	-59.4	-46.2	174.7	177	-167.4	163.1	-165.6	0	111.6	S918 E919 D920 R924 L925 E926	S918-K922 VanDerWaalsContact O-CB 3.26Å; S918-K922 WeakPolarHBondContact O-CB 3.31Å; S918-K922 PolarHBondContact O-N 3.15Å; S918-K922 VanDerWaalsContact O-N 3.08Å; E919-K922 PolarHBondContact O-N 2.83Å; D920-K922 VanDerWaalsContact C-N 3.33Å; K922-R924 VanDerWaalsContact C-N 3.33Å; K922-R924 PolarHBondContact O-N 3.46Å; K922-L925 PolarHBondContact O-N 2.91Å; K922-E926 WeakPolarHBondContact CE-OE1 3.44Å; K922-E926 HydrophobicContact CG-CG 4.47Å; K922-E926 IonicContact NZ-OE1 3.6Å; K922-E926 WeakPolarHBondContact O-CG 3.43Å; K922-E926 PolarHBondContact O-N 3.4Å
923	R	90.6	Very high	88.2	Confident	132 Å²	132	100.4 Å²	100.4	50%	0.498	49%	0.487	S	S	.	.	H	α-helix	trans	-56.6	-47.3	177.7	-168.4	-161.9	-48.7	-80.4	-2.4	110.9	E919 D920 E921 L925 E926 E927	E919-R923 WeakPolarHBondContact O-CB 3.29Å; E919-R923 PolarHBondContact O-N 3.34Å; D920-R923 WeakPolarHBondContact O-CB 3.26Å; D920-R923 PolarHBondContact O-N 3.49Å; D920-R923 IonicContact OD1-CZ 3.67Å; D920-R923 IonicContact OD1-NE 2.74Å; D920-R923 PolarHBondContact OD1-NE 3.43Å; D920-R923 IonicContact OD1-NH2 3.71Å; D920-R923 PolarHBondContact OD1-NH2 2.9Å; E921-R923 PolarHBondContact O-N 2.99Å; R923-L925 PolarHBondContact O-N 3.2Å; R923-E926 PolarHBondContact O-N 2.89Å; R923-E927 WeakPolarHBondContact O-CG 3.5Å; R923-E927 PolarHBondContact O-N 2.95Å
924	R	90.7	Very high	87.9	Confident	111 Å²	111	98.1 Å²	98.1	42%	0.419	48%	0.476	S	S	.	.	H	α-helix	trans	-60.9	-44.2	177.5	-159	-167.7	73.9	-112.5	-11.3	111.6	D920 E921 K922 E926 E927 E928	D920-R924 PolarHBondContact O-N 3.26Å; E921-R924 PolarHBondContact O-N 2.98Å; E921-R924 IonicContact OE1-CZ 3.18Å; E921-R924 IonicContact OE1-NH1 2.76Å; E921-R924 PolarHBondContact OE1-NH1 3.43Å; E921-R924 IonicContact OE1-NH2 2.76Å; E921-R924 PolarHBondContact OE1-NH2 3.17Å; K922-R924 VanDerWaalsContact C-N 3.33Å; K922-R924 PolarHBondContact O-N 3.46Å; R924-E926 PolarHBondContact O-N 3.41Å; R924-E927 PolarHBondContact O-N 3.21Å; R924-E928 IonicContact CZ-OE1 3.26Å; R924-E928 IonicContact NE-OE1 2.69Å; R924-E928 PolarHBondContact NE-OE1 3.42Å; R924-E928 IonicContact NH2-OE1 2.69Å; R924-E928 WeakPolarHBondContact O-CB 3.45Å; R924-E928 VanDerWaalsContact O-CG 3.31Å; R924-E928 WeakPolarHBondContact O-CG 3.49Å; R924-E928 PolarHBondContact O-N 2.86Å
925	L	86.3	Confident	87.7	Confident	86 Å²	86	96.9 Å²	96.9	45%	0.45	47%	0.474	S	S	.	.	H	α-helix	trans	-66	-33.7	176.3	-68.7	169.6	0	0	0	112.9	E921 K922 R923 S929	E921-L925 HydrophobicContact CG-CD1 4.22Å; E921-L925 WeakPolarHBondContact O-CG 3.44Å; E921-L925 PolarHBondContact O-N 3.43Å; K922-L925 PolarHBondContact O-N 2.91Å; R923-L925 PolarHBondContact O-N 3.2Å; L925-S929 WeakPolarHBondContact O-CB 3.32Å; L925-S929 PolarHBondContact O-N 3.47Å
926	E	85	Confident	87.2	Confident	115 Å²	115	95.7 Å²	95.7	54%	0.537	47%	0.473	S	S	.	.	H	α-helix	trans	-68.9	-38	173	-75.3	179.8	166.9	0	0	111.7	K922 R923 R924 S929 A930	K922-E926 WeakPolarHBondContact CE-OE1 3.44Å; K922-E926 HydrophobicContact CG-CG 4.47Å; K922-E926 IonicContact NZ-OE1 3.6Å; K922-E926 WeakPolarHBondContact O-CG 3.43Å; K922-E926 PolarHBondContact O-N 3.4Å; R923-E926 PolarHBondContact O-N 2.89Å; R924-E926 PolarHBondContact O-N 3.41Å; E926-S929 WeakPolarHBondContact O-CB 3.49Å; E926-S929 PolarHBondContact O-N 3.39Å; E926-A930 WeakPolarHBondContact O-CB 3.45Å; E926-A930 PolarHBondContact O-N 2.98Å
927	E	89.3	Confident	86.8	Confident	106 Å²	106	98.3 Å²	98.3	50%	0.495	48%	0.477	S	S	.	.	H	α-helix	trans	-68.3	-46.5	173.3	-72.7	176.8	-158.8	0	0	112.6	R923 R924 S929 A930 Q931	R923-E927 WeakPolarHBondContact O-CG 3.5Å; R923-E927 PolarHBondContact O-N 2.95Å; R924-E927 PolarHBondContact O-N 3.21Å; E927-S929 VanDerWaalsContact C-N 3.29Å; E927-S929 PolarHBondContact O-N 2.86Å; E927-A930 PolarHBondContact O-N 3.28Å; E927-A930 VanDerWaalsContact O-N 3.14Å; E927-Q931 WeakPolarHBondContact O-CG 3.23Å; E927-Q931 PolarHBondContact O-N 2.98Å
928	E	87.9	Confident	86.5	Confident	87 Å²	87	100.3 Å²	100.3	41%	0.407	48%	0.481	S	S	.	.	H	α-helix	trans	-56.8	-44.3	172.3	-73.5	170.5	-150.7	0	0	110.7	R924 A930 Q931 L932	R924-E928 IonicContact CZ-OE1 3.26Å; R924-E928 IonicContact NE-OE1 2.69Å; R924-E928 PolarHBondContact NE-OE1 3.42Å; R924-E928 IonicContact NH2-OE1 2.69Å; R924-E928 WeakPolarHBondContact O-CB 3.45Å; R924-E928 VanDerWaalsContact O-CG 3.31Å; R924-E928 WeakPolarHBondContact O-CG 3.49Å; R924-E928 PolarHBondContact O-N 2.86Å; E928-A930 PolarHBondContact O-N 2.75Å; E928-Q931 PolarHBondContact O-N 2.84Å; E928-L932 WeakPolarHBondContact O-CB 3.35Å; E928-L932 PolarHBondContact O-N 3.43Å
929	S	80.4	Confident	86.4	Confident	45 Å²	45	101.2 Å²	101.2	32%	0.315	48%	0.477	S	S	.	.	H	α-helix	trans	-61.4	-40.2	175	-173.2	0	0	0	0	112.6	L925 E926 E927 K933	L925-S929 WeakPolarHBondContact O-CB 3.32Å; L925-S929 PolarHBondContact O-N 3.47Å; E926-S929 WeakPolarHBondContact O-CB 3.49Å; E926-S929 PolarHBondContact O-N 3.39Å; E927-S929 VanDerWaalsContact C-N 3.29Å; E927-S929 PolarHBondContact O-N 2.86Å; S929-K933 WeakPolarHBondContact O-CB 3.46Å; S929-K933 VanDerWaalsContact O-CD 3.3Å; S929-K933 WeakPolarHBondContact O-CD 3.38Å; S929-K933 WeakPolarHBondContact O-CG 3.33Å; S929-K933 PolarHBondContact O-N 3.49Å; S929-K933 WeakPolarHBondContact OG-CE 3.37Å; S929-K933 PolarHBondContact OG-NZ 3.39Å
930	A	86.1	Confident	85.8	Confident	53 Å²	53	102 Å²	102	44%	0.438	48%	0.484	S	S	.	.	H	α-helix	trans	-67.8	-43.3	176.8	0	0	0	0	0	111.9	E926 E927 E928 K933 E934	E926-A930 WeakPolarHBondContact O-CB 3.45Å; E926-A930 PolarHBondContact O-N 2.98Å; E927-A930 PolarHBondContact O-N 3.28Å; E927-A930 VanDerWaalsContact O-N 3.14Å; E928-A930 PolarHBondContact O-N 2.75Å; A930-K933 PolarHBondContact O-N 2.98Å; A930-E934 WeakPolarHBondContact O-CB 3.25Å; A930-E934 PolarHBondContact O-N 3.15Å
931	Q	86.6	Confident	85.5	Confident	132 Å²	132	102.5 Å²	102.5	62%	0.617	49%	0.486	S	S	*	.	H	α-helix	trans	-62.1	-41.9	175.3	-69.6	176.6	46.6	0	0	111.9	E927 E928 E934 M935	E927-Q931 WeakPolarHBondContact O-CG 3.23Å; E927-Q931 PolarHBondContact O-N 2.98Å; E928-Q931 PolarHBondContact O-N 2.84Å; Q931-E934 PolarHBondContact O-N 2.93Å; Q931-M935 WeakPolarHBondContact O-CB 3.35Å; Q931-M935 PolarHBondContact O-N 3.33Å
932	L	84.9	Confident	85.3	Confident	107 Å²	107	102.4 Å²	102.4	56%	0.56	48%	0.484	S	S	*	.	H	α-helix	trans	-66.9	-43.1	178.3	-167.6	68.5	0	0	0	111.9	E928 E934 M935 C936	E928-L932 WeakPolarHBondContact O-CB 3.35Å; E928-L932 PolarHBondContact O-N 3.43Å; L932-E934 VanDerWaalsContact C-N 3.3Å; L932-E934 PolarHBondContact O-N 3.46Å; L932-M935 WeakPolarHBondContact O-CB 3.5Å; L932-M935 PolarHBondContact O-N 2.97Å; L932-C936 PolarHBondContact O-N 3.36Å; L932-C936 PolarHBondContact O-SG 3.29Å; L932-C936 VanDerWaalsContact O-SG 3.34Å
933	K	83	Confident	84.8	Confident	138 Å²	138	99.4 Å²	99.4	60%	0.6	48%	0.478	S	S	*	.	H	α-helix	trans	-58.7	-42.3	173.1	-73.5	160.7	-175.6	150.5	0	111.9	S929 A930 C936 R937	S929-K933 WeakPolarHBondContact O-CB 3.46Å; S929-K933 VanDerWaalsContact O-CD 3.3Å; S929-K933 WeakPolarHBondContact O-CD 3.38Å; S929-K933 WeakPolarHBondContact O-CG 3.33Å; S929-K933 PolarHBondContact O-N 3.49Å; S929-K933 WeakPolarHBondContact OG-CE 3.37Å; S929-K933 PolarHBondContact OG-NZ 3.39Å; A930-K933 PolarHBondContact O-N 2.98Å; K933-C936 PolarHBondContact O-N 3.05Å; K933-R937 WeakPolarHBondContact O-CB 3.36Å; K933-R937 PolarHBondContact O-N 2.91Å
934	E	86.2	Confident	84.3	Confident	50 Å²	50	97.7 Å²	97.7	23%	0.234	48%	0.476	C	S	.	.	H	α-helix	trans	-67.5	-37.5	177.5	172.8	61.1	-179.4	0	0	112.4	A930 Q931 L932 R937 R938	A930-E934 WeakPolarHBondContact O-CB 3.25Å; A930-E934 PolarHBondContact O-N 3.15Å; Q931-E934 PolarHBondContact O-N 2.93Å; L932-E934 VanDerWaalsContact C-N 3.3Å; L932-E934 PolarHBondContact O-N 3.46Å; E934-R937 PolarHBondContact O-N 3.41Å; E934-R937 IonicContact OE1-NH2 3.5Å; E934-R937 PolarHBondContact OE1-NH2 3.37Å; E934-R937 IonicContact OE2-CZ 3.97Å; E934-R937 IonicContact OE2-NE 3.2Å; E934-R937 PolarHBondContact OE2-NE 2.86Å; E934-R937 IonicContact OE2-NH2 2.8Å; E934-R937 PolarHBondContact OE2-NH2 2.98Å; E934-R938 WeakPolarHBondContact O-CG 3.32Å; E934-R938 PolarHBondContact O-N 3.18Å; E934-R938 VanDerWaalsContact O-N 3.08Å; E934-R938 IonicContact OE1-CZ 3.61Å; E934-R938 IonicContact OE1-NE 3.54Å; E934-R938 PolarHBondContact OE1-NE 2.92Å; E934-R938 IonicContact OE1-NH2 3.52Å; E934-R938 PolarHBondContact OE1-NH2 3.49Å
935	M	85.4	Confident	83.8	Confident	115 Å²	115	94.9 Å²	94.9	57%	0.567	47%	0.473	S	S	*	.	H	α-helix	trans	-62.7	-48.9	172.8	-171.3	-172.3	-59.8	0	0	111.3	Q931 L932 R937 R938 E939	Q931-M935 WeakPolarHBondContact O-CB 3.35Å; Q931-M935 PolarHBondContact O-N 3.33Å; L932-M935 WeakPolarHBondContact O-CB 3.5Å; L932-M935 PolarHBondContact O-N 2.97Å; M935-R937 VanDerWaalsContact C-N 3.3Å; M935-R937 PolarHBondContact O-N 2.92Å; M935-R938 PolarHBondContact O-N 3.12Å; M935-E939 PolarHBondContact O-N 3.36Å; M935-E939 VanDerWaalsContact O-N 3.15Å
936	C	79.2	Confident	83.5	Confident	72 Å²	72	95 Å²	95	49%	0.486	47%	0.471	S	S	.	.	H	α-helix	trans	-60.2	-38.7	175.7	-66.7	0	0	0	0	112.3	L932 K933 L940	L932-C936 PolarHBondContact O-N 3.36Å; L932-C936 PolarHBondContact O-SG 3.29Å; L932-C936 VanDerWaalsContact O-SG 3.34Å; K933-C936 PolarHBondContact O-N 3.05Å; C936-L940 WeakPolarHBondContact O-CB 3.46Å; C936-L940 WeakPolarHBondContact O-CG 3.38Å; C936-L940 PolarHBondContact O-N 3.17Å
937	R	85.8	Confident	83.2	Confident	139 Å²	139	95.1 Å²	95.1	53%	0.525	47%	0.474	S	S	.	.	H	α-helix	trans	-60.3	-47.9	175.3	-175.7	171.7	72	125.4	1.9	111.8	K933 E934 M935 E939 L940 D941	K933-R937 WeakPolarHBondContact O-CB 3.36Å; K933-R937 PolarHBondContact O-N 2.91Å; E934-R937 PolarHBondContact O-N 3.41Å; E934-R937 IonicContact OE1-NH2 3.5Å; E934-R937 PolarHBondContact OE1-NH2 3.37Å; E934-R937 IonicContact OE2-CZ 3.97Å; E934-R937 IonicContact OE2-NE 3.2Å; E934-R937 PolarHBondContact OE2-NE 2.86Å; E934-R937 IonicContact OE2-NH2 2.8Å; E934-R937 PolarHBondContact OE2-NH2 2.98Å; M935-R937 VanDerWaalsContact C-N 3.3Å; M935-R937 PolarHBondContact O-N 2.92Å; R937-E939 PolarHBondContact O-N 2.67Å; R937-L940 WeakPolarHBondContact O-CB 3.47Å; R937-L940 PolarHBondContact O-N 3.37Å; R937-D941 VanDerWaalsContact O-CG 3.27Å; R937-D941 PolarHBondContact O-N 3.22Å
938	R	84.9	Confident	82.8	Confident	147 Å²	147	95.9 Å²	95.9	56%	0.555	48%	0.476	S	S	*	.	H	α-helix	trans	-63.3	-41	-179.5	-69.2	170.9	-168.2	169.2	4.6	113.1	E934 M935 D941 K942	E934-R938 WeakPolarHBondContact O-CG 3.32Å; E934-R938 PolarHBondContact O-N 3.18Å; E934-R938 VanDerWaalsContact O-N 3.08Å; E934-R938 IonicContact OE1-CZ 3.61Å; E934-R938 IonicContact OE1-NE 3.54Å; E934-R938 PolarHBondContact OE1-NE 2.92Å; E934-R938 IonicContact OE1-NH2 3.52Å; E934-R938 PolarHBondContact OE1-NH2 3.49Å; M935-R938 PolarHBondContact O-N 3.12Å; R938-D941 PolarHBondContact O-N 2.91Å; R938-K942 WeakPolarHBondContact O-CB 3.14Å; R938-K942 PolarHBondContact O-N 3.07Å
939	E	83	Confident	82.5	Confident	95 Å²	95	97.3 Å²	97.3	44%	0.444	48%	0.481	S	S	.	.	H	α-helix	trans	-72.4	-29.3	177.5	-72.3	-63.5	141	0	0	112.1	M935 R937 K942 S943	M935-E939 PolarHBondContact O-N 3.36Å; M935-E939 VanDerWaalsContact O-N 3.15Å; R937-E939 PolarHBondContact O-N 2.67Å; E939-K942 IonicContact OE1-NZ 3.77Å; E939-K942 PolarHBondContact OE1-NZ 2.87Å; E939-K942 IonicContact OE2-NZ 2.74Å; E939-K942 PolarHBondContact OE2-NZ 2.98Å; E939-S943 VanDerWaalsContact O-CB 3.29Å; E939-S943 WeakPolarHBondContact O-CB 3.46Å; E939-S943 PolarHBondContact O-N 2.89Å; E939-S943 PolarHBondContact O-OG 2.85Å
940	L	78.1	Confident	82.3	Confident	122 Å²	122	99.5 Å²	99.5	64%	0.639	49%	0.489	S	S	*	.	H	α-helix	trans	-65.6	-51	166.9	-77.9	167.5	0	0	0	112	C936 R937 K942 S943 E944	C936-L940 WeakPolarHBondContact O-CB 3.46Å; C936-L940 WeakPolarHBondContact O-CG 3.38Å; C936-L940 PolarHBondContact O-N 3.17Å; R937-L940 WeakPolarHBondContact O-CB 3.47Å; R937-L940 PolarHBondContact O-N 3.37Å; L940-K942 VanDerWaalsContact C-N 3.26Å; L940-K942 PolarHBondContact O-N 2.95Å; L940-S943 PolarHBondContact O-N 3.18Å; L940-S943 VanDerWaalsContact O-N 3.14Å; L940-E944 PolarHBondContact O-N 3.38Å
941	D	84.7	Confident	81.9	Confident	87 Å²	87	99 Å²	99	47%	0.465	49%	0.49	S	S	.	.	H	α-helix	trans	-57.8	-40.2	178.6	-68.4	-26.3	0	0	0	111.5	R937 R938 S945	R937-D941 VanDerWaalsContact O-CG 3.27Å; R937-D941 PolarHBondContact O-N 3.22Å; R938-D941 PolarHBondContact O-N 2.91Å; D941-S945 WeakPolarHBondContact O-CB 3.42Å; D941-S945 PolarHBondContact O-N 3.47Å
942	K	85.6	Confident	81.6	Confident	93 Å²	93	95.8 Å²	95.8	40%	0.404	48%	0.481	S	S	.	.	H	α-helix	trans	-66.4	-45.9	174.9	175	177.5	153.8	-138.3	0	111.9	R938 E939 L940 E944 S945 E946	R938-K942 WeakPolarHBondContact O-CB 3.14Å; R938-K942 PolarHBondContact O-N 3.07Å; E939-K942 IonicContact OE1-NZ 3.77Å; E939-K942 PolarHBondContact OE1-NZ 2.87Å; E939-K942 IonicContact OE2-NZ 2.74Å; E939-K942 PolarHBondContact OE2-NZ 2.98Å; L940-K942 VanDerWaalsContact C-N 3.26Å; L940-K942 PolarHBondContact O-N 2.95Å; K942-E944 VanDerWaalsContact C-N 3.33Å; K942-E944 PolarHBondContact O-N 3.39Å; K942-S945 WeakPolarHBondContact O-CB 3.48Å; K942-S945 PolarHBondContact O-N 3.02Å; K942-S945 VanDerWaalsContact O-N 3.16Å; K942-E946 WeakPolarHBondContact O-CG 3.49Å; K942-E946 PolarHBondContact O-N 3.38Å
943	S	76.6	Confident	81.3	Confident	55 Å²	55	95.5 Å²	95.5	39%	0.385	48%	0.479	S	S	.	.	H	α-helix	trans	-60.6	-42	175	-60.1	0	0	0	0	111.5	E939 L940 S945 E946 I947	E939-S943 VanDerWaalsContact O-CB 3.29Å; E939-S943 WeakPolarHBondContact O-CB 3.46Å; E939-S943 PolarHBondContact O-N 2.89Å; E939-S943 PolarHBondContact O-OG 2.85Å; L940-S943 PolarHBondContact O-N 3.18Å; L940-S943 VanDerWaalsContact O-N 3.14Å; S943-S945 VanDerWaalsContact C-N 3.34Å; S943-S945 PolarHBondContact O-N 3.11Å; S943-E946 PolarHBondContact O-N 3.43Å; S943-I947 VanDerWaalsContact O-CG1 3.28Å; S943-I947 WeakPolarHBondContact O-CG1 3.45Å; S943-I947 PolarHBondContact O-N 3.28Å
944	E	79.8	Confident	80.9	Confident	97 Å²	97	93.3 Å²	93.3	45%	0.453	47%	0.473	S	S	.	.	H	α-helix	trans	-66.4	-36	175.7	-153.1	-151.5	166.2	0	0	111.8	L940 K942 I947 K948	L940-E944 PolarHBondContact O-N 3.38Å; K942-E944 VanDerWaalsContact C-N 3.33Å; K942-E944 PolarHBondContact O-N 3.39Å; E944-I947 PolarHBondContact O-N 2.93Å; E944-K948 VanDerWaalsContact CD-CE 3.5Å; E944-K948 WeakPolarHBondContact O-CB 3.36Å; E944-K948 VanDerWaalsContact O-CG 3.27Å; E944-K948 WeakPolarHBondContact O-CG 3.3Å; E944-K948 PolarHBondContact O-N 3.22Å; E944-K948 WeakPolarHBondContact OE1-CE 3.26Å; E944-K948 IonicContact OE1-NZ 3.82Å; E944-K948 PolarHBondContact OE1-NZ 3.37Å; E944-K948 IonicContact OE2-NZ 3.74Å; E944-K948 PolarHBondContact OE2-NZ 3.01Å
945	S	80.7	Confident	80.5	Confident	51 Å²	51	92.6 Å²	92.6	36%	0.357	48%	0.48	S	S	.	.	H	α-helix	trans	-64.2	-40.8	172.5	-168.7	0	0	0	0	112.2	D941 K942 S943 K948 K949	D941-S945 WeakPolarHBondContact O-CB 3.42Å; D941-S945 PolarHBondContact O-N 3.47Å; K942-S945 WeakPolarHBondContact O-CB 3.48Å; K942-S945 PolarHBondContact O-N 3.02Å; K942-S945 VanDerWaalsContact O-N 3.16Å; S943-S945 VanDerWaalsContact C-N 3.34Å; S943-S945 PolarHBondContact O-N 3.11Å; S945-K948 PolarHBondContact O-N 2.85Å; S945-K949 VanDerWaalsContact O-CG 3.31Å; S945-K949 WeakPolarHBondContact O-CG 3.45Å; S945-K949 PolarHBondContact O-N 3.23Å
946	E	80.9	Confident	80.2	Confident	89 Å²	89	92.3 Å²	92.3	42%	0.416	48%	0.477	S	S	.	.	H	α-helix	trans	-69.1	-40.5	175.7	-72.8	174.2	-161.3	0	0	111.7	K942 S943 K948 K949 N950	K942-E946 WeakPolarHBondContact O-CG 3.49Å; K942-E946 PolarHBondContact O-N 3.38Å; S943-E946 PolarHBondContact O-N 3.43Å; E946-K948 VanDerWaalsContact C-N 3.34Å; E946-K948 PolarHBondContact O-N 2.93Å; E946-K949 PolarHBondContact O-N 3.29Å; E946-N950 WeakPolarHBondContact O-CB 3.43Å; E946-N950 PolarHBondContact O-N 3.44Å; E946-N950 PolarHBondContact O-ND2 2.85Å
947	I	78.2	Confident	79.9	Confident	117 Å²	117	96.7 Å²	96.7	60%	0.6	48%	0.484	S	S	*	.	H	α-helix	trans	-58.9	-43.8	170.5	-70.1	164.4	0	0	0	111	S943 E944 N950 G951	S943-I947 VanDerWaalsContact O-CG1 3.28Å; S943-I947 WeakPolarHBondContact O-CG1 3.45Å; S943-I947 PolarHBondContact O-N 3.28Å; E944-I947 PolarHBondContact O-N 2.93Å; I947-N950 PolarHBondContact O-N 2.87Å; I947-G951 PolarHBondContact O-N 3.13Å
948	K	80.4	Confident	79.4	Confident	122 Å²	122	96.8 Å²	96.8	53%	0.53	49%	0.489	S	S	.	.	H	α-helix	trans	-63.7	-42.1	176.3	-75.3	164.4	-175.3	163.5	0	112.4	E944 S945 E946 G951 S952	E944-K948 VanDerWaalsContact CD-CE 3.5Å; E944-K948 WeakPolarHBondContact O-CB 3.36Å; E944-K948 VanDerWaalsContact O-CG 3.27Å; E944-K948 WeakPolarHBondContact O-CG 3.3Å; E944-K948 PolarHBondContact O-N 3.22Å; E944-K948 WeakPolarHBondContact OE1-CE 3.26Å; E944-K948 IonicContact OE1-NZ 3.82Å; E944-K948 PolarHBondContact OE1-NZ 3.37Å; E944-K948 IonicContact OE2-NZ 3.74Å; E944-K948 PolarHBondContact OE2-NZ 3.01Å; S945-K948 PolarHBondContact O-N 2.85Å; E946-K948 VanDerWaalsContact C-N 3.34Å; E946-K948 PolarHBondContact O-N 2.93Å; K948-G951 PolarHBondContact O-N 3.18Å; K948-S952 PolarHBondContact O-N 3.04Å
949	K	81	Confident	79	Confident	117 Å²	117	95.5 Å²	95.5	51%	0.509	49%	0.489	S	S	.	.	H	α-helix	trans	-62	-49.1	174.3	-71.5	166.1	-169.5	166.9	0	111.4	S945 E946 G951 S952 I953	S945-K949 VanDerWaalsContact O-CG 3.31Å; S945-K949 WeakPolarHBondContact O-CG 3.45Å; S945-K949 PolarHBondContact O-N 3.23Å; E946-K949 PolarHBondContact O-N 3.29Å; K949-G951 VanDerWaalsContact C-N 3.28Å; K949-G951 PolarHBondContact O-N 3.38Å; K949-S952 WeakPolarHBondContact O-CB 3.3Å; K949-S952 PolarHBondContact O-N 3.47Å; K949-S952 VanDerWaalsContact O-N 3.08Å; K949-I953 WeakPolarHBondContact O-CG1 3.21Å; K949-I953 PolarHBondContact O-N 3.26Å
950	N	77.7	Confident	78.8	Confident	92 Å²	92	95.4 Å²	95.4	49%	0.492	49%	0.49	S	S	.	.	H	α-helix	trans	-61.2	-39.2	178.2	-67.3	-13.5	0	0	0	111.1	E946 I947 I953 I954	E946-N950 WeakPolarHBondContact O-CB 3.43Å; E946-N950 PolarHBondContact O-N 3.44Å; E946-N950 PolarHBondContact O-ND2 2.85Å; I947-N950 PolarHBondContact O-N 2.87Å; N950-I953 PolarHBondContact O-N 3.08Å; N950-I954 WeakPolarHBondContact O-CB 2.88Å; N950-I954 WeakPolarHBondContact O-CD1 3.48Å; N950-I954 WeakPolarHBondContact O-CG1 3.36Å; N950-I954 PolarHBondContact O-N 3.49Å
951	G	77.9	Confident	78.5	Confident	43 Å²	43	92 Å²	92	44%	0.443	48%	0.477	S	S	.	.	H	α-helix	trans	-60	-42.2	171.3	0	0	0	0	0	113.7	I947 K948 K949 I954 G955	I947-G951 PolarHBondContact O-N 3.13Å; K948-G951 PolarHBondContact O-N 3.18Å; K949-G951 VanDerWaalsContact C-N 3.28Å; K949-G951 PolarHBondContact O-N 3.38Å; G951-I954 PolarHBondContact O-N 3.23Å; G951-G955 PolarHBondContact O-N 2.96Å
952	S	79.4	Confident	77.8	Confident	64 Å²	64	91.7 Å²	91.7	45%	0.448	48%	0.481	S	S	.	.	H	α-helix	trans	-64	-47.4	174.3	-161.9	0	0	0	0	111.6	K948 K949 I954 G955 E956	K948-S952 PolarHBondContact O-N 3.04Å; K949-S952 WeakPolarHBondContact O-CB 3.3Å; K949-S952 PolarHBondContact O-N 3.47Å; K949-S952 VanDerWaalsContact O-N 3.08Å; S952-I954 VanDerWaalsContact C-N 3.31Å; S952-I954 PolarHBondContact O-N 2.96Å; S952-G955 CarbonylContact O-C 3.55Å; S952-G955 WeakPolarHBondContact O-CA 3.45Å; S952-G955 PolarHBondContact O-N 3.33Å; S952-E956 WeakPolarHBondContact O-CG 3.48Å; S952-E956 PolarHBondContact O-N 2.92Å; S952-E956 PolarHBondContact OG-OE1 3.28Å
953	I	78.6	Confident	77.3	Confident	100 Å²	100	91.8 Å²	91.8	51%	0.513	48%	0.483	S	S	.	.	H	α-helix	trans	-59.6	-41.9	178.1	-66.3	163.5	0	0	0	110.8	K949 N950 G955 E956 Y957	K949-I953 WeakPolarHBondContact O-CG1 3.21Å; K949-I953 PolarHBondContact O-N 3.26Å; N950-I953 PolarHBondContact O-N 3.08Å; I953-G955 VanDerWaalsContact C-N 3.32Å; I953-G955 PolarHBondContact O-N 2.89Å; I953-E956 PolarHBondContact O-N 3.02Å; I953-Y957 VanDerWaalsContact O-CB 3.25Å; I953-Y957 WeakPolarHBondContact O-CB 3.42Å; I953-Y957 PolarHBondContact O-N 2.93Å
954	I	74.6	Confident	77.2	Confident	92 Å²	92	94 Å²	94	47%	0.472	49%	0.49	S	S	.	.	H	α-helix	trans	-65.9	-34.9	174.7	-70	164.1	0	0	0	111.4	N950 G951 S952 K958	N950-I954 WeakPolarHBondContact O-CB 2.88Å; N950-I954 WeakPolarHBondContact O-CD1 3.48Å; N950-I954 WeakPolarHBondContact O-CG1 3.36Å; N950-I954 PolarHBondContact O-N 3.49Å; G951-I954 PolarHBondContact O-N 3.23Å; S952-I954 VanDerWaalsContact C-N 3.31Å; S952-I954 PolarHBondContact O-N 2.96Å; I954-K958 HydrophobicContact CG2-CD 4.28Å; I954-K958 WeakPolarHBondContact O-CB 3.44Å; I954-K958 VanDerWaalsContact O-CG 3.25Å; I954-K958 WeakPolarHBondContact O-CG 3.33Å; I954-K958 PolarHBondContact O-N 3.34Å
955	G	77.1	Confident	76.7	Confident	36 Å²	36	93.1 Å²	93.1	37%	0.371	49%	0.494	S	S	.	.	H	α-helix	trans	-65	-49.9	173	0	0	0	0	0	112.5	G951 S952 I953 K958 Q959	G951-G955 PolarHBondContact O-N 2.96Å; S952-G955 CarbonylContact O-C 3.55Å; S952-G955 WeakPolarHBondContact O-CA 3.45Å; S952-G955 PolarHBondContact O-N 3.33Å; I953-G955 VanDerWaalsContact C-N 3.32Å; I953-G955 PolarHBondContact O-N 2.89Å; G955-K958 PolarHBondContact O-N 3.38Å; G955-Q959 WeakPolarHBondContact O-CB 3.44Å; G955-Q959 PolarHBondContact O-N 3.47Å
956	E	80.2	Confident	76.4	Confident	108 Å²	108	95.2 Å²	95.2	51%	0.505	50%	0.498	S	S	.	.	H	α-helix	trans	-61.1	-44	176.4	-71.9	165.7	-134.2	0	0	111.4	S952 I953 K958 Q959 I960	S952-E956 WeakPolarHBondContact O-CG 3.48Å; S952-E956 PolarHBondContact O-N 2.92Å; S952-E956 PolarHBondContact OG-OE1 3.28Å; I953-E956 PolarHBondContact O-N 3.02Å; E956-K958 PolarHBondContact O-N 3.22Å; E956-Q959 PolarHBondContact O-N 3.5Å; E956-Q959 VanDerWaalsContact O-N 3.15Å; E956-I960 VanDerWaalsContact O-CG1 3.31Å; E956-I960 WeakPolarHBondContact O-CG1 3.42Å; E956-I960 PolarHBondContact O-N 3.02Å
957	Y	73.5	Confident	76	Confident	164 Å²	164	99.2 Å²	99.2	64%	0.643	51%	0.51	S	S	*	.	H	α-helix	trans	-59.8	-46.6	175.4	-173	-93.2	0	0	0	111.7	I953 Q959 I960 C961	I953-Y957 VanDerWaalsContact O-CB 3.25Å; I953-Y957 WeakPolarHBondContact O-CB 3.42Å; I953-Y957 PolarHBondContact O-N 2.93Å; Y957-Q959 VanDerWaalsContact C-N 3.31Å; Y957-Q959 PolarHBondContact O-N 2.91Å; Y957-I960 PolarHBondContact O-N 3.45Å; Y957-C961 PolarHBondContact O-N 2.86Å; Y957-C961 PolarHBondContact O-SG 3.33Å
958	K	74.1	Confident	75.6	Confident	142 Å²	142	98.3 Å²	98.3	62%	0.617	51%	0.505	S	S	*	.	H	α-helix	trans	-60.2	-39.6	173.6	-75.5	171.4	-178.4	177.8	0	112.3	I954 G955 E956 S962	I954-K958 HydrophobicContact CG2-CD 4.28Å; I954-K958 WeakPolarHBondContact O-CB 3.44Å; I954-K958 VanDerWaalsContact O-CG 3.25Å; I954-K958 WeakPolarHBondContact O-CG 3.33Å; I954-K958 PolarHBondContact O-N 3.34Å; G955-K958 PolarHBondContact O-N 3.38Å; E956-K958 PolarHBondContact O-N 3.22Å; K958-S962 WeakPolarHBondContact O-CB 3.24Å; K958-S962 PolarHBondContact O-N 3.04Å
959	Q	77.5	Confident	75.1	Confident	120 Å²	120	98.8 Å²	98.8	56%	0.561	51%	0.509	S	S	*	.	H	α-helix	trans	-67.9	-39.8	177.5	-176.5	169.4	-28.3	0	0	112	G955 E956 Y957 S962 Q963	G955-Q959 WeakPolarHBondContact O-CB 3.44Å; G955-Q959 PolarHBondContact O-N 3.47Å; E956-Q959 PolarHBondContact O-N 3.5Å; E956-Q959 VanDerWaalsContact O-N 3.15Å; Y957-Q959 VanDerWaalsContact C-N 3.31Å; Y957-Q959 PolarHBondContact O-N 2.91Å; Q959-S962 PolarHBondContact O-N 2.82Å; Q959-Q963 WeakPolarHBondContact O-CG 3.48Å; Q959-Q963 PolarHBondContact O-N 3.49Å
960	I	78.1	Confident	74.6	Confident	92 Å²	92	98.7 Å²	98.7	47%	0.472	51%	0.509	S	S	.	.	H	α-helix	trans	-63.8	-46.9	174.1	-70.2	163.9	0	0	0	110.5	E956 Y957 S962 Q963 L964	E956-I960 VanDerWaalsContact O-CG1 3.31Å; E956-I960 WeakPolarHBondContact O-CG1 3.42Å; E956-I960 PolarHBondContact O-N 3.02Å; Y957-I960 PolarHBondContact O-N 3.45Å; I960-S962 VanDerWaalsContact C-N 3.32Å; I960-S962 PolarHBondContact O-N 3.44Å; I960-Q963 PolarHBondContact O-N 3.15Å; I960-L964 HydrophobicContact CG2-CD1 3.8Å; I960-L964 HydrophobicContact CG2-CG 4.33Å; I960-L964 WeakPolarHBondContact O-CB 3.4Å; I960-L964 WeakPolarHBondContact O-CG 3.34Å; I960-L964 PolarHBondContact O-N 3.07Å
961	C	71.1	Confident	74.1	Confident	52 Å²	52	100.5 Å²	100.5	35%	0.351	51%	0.514	S	S	.	.	H	α-helix	trans	-57	-44.9	174.8	-67.5	0	0	0	0	111.8	Y957 L964 S965	Y957-C961 PolarHBondContact O-N 2.86Å; Y957-C961 PolarHBondContact O-SG 3.33Å; C961-L964 PolarHBondContact O-N 3.09Å; C961-S965 PolarHBondContact O-N 2.75Å; C961-S965 PolarHBondContact O-OG 2.77Å; C961-S965 VanDerWaalsContact O-OG 3.05Å
962	S	71.7	Confident	73.4	Confident	79 Å²	79	104.3 Å²	104.3	55%	0.552	52%	0.521	S	S	*	.	H	α-helix	trans	-60.9	-47.1	176	-174.4	0	0	0	0	112.5	K958 Q959 I960 L964 S965 E966	K958-S962 WeakPolarHBondContact O-CB 3.24Å; K958-S962 PolarHBondContact O-N 3.04Å; Q959-S962 PolarHBondContact O-N 2.82Å; I960-S962 VanDerWaalsContact C-N 3.32Å; I960-S962 PolarHBondContact O-N 3.44Å; S962-L964 VanDerWaalsContact C-N 3.34Å; S962-L964 PolarHBondContact O-N 3.22Å; S962-S965 PolarHBondContact O-N 2.75Å; S962-E966 PolarHBondContact O-N 3.08Å
963	Q	73.8	Confident	72.7	Confident	96 Å²	96	105.5 Å²	105.5	45%	0.449	53%	0.525	S	S	.	.	H	α-helix	trans	-66	-33	177.6	-72.4	-179	3.5	0	0	113.2	Q959 I960 R967	Q959-Q963 WeakPolarHBondContact O-CG 3.48Å; Q959-Q963 PolarHBondContact O-N 3.49Å; I960-Q963 PolarHBondContact O-N 3.15Å; Q963-R967 WeakPolarHBondContact O-CB 3.4Å; Q963-R967 WeakPolarHBondContact O-CG 3.39Å; Q963-R967 PolarHBondContact O-N 2.85Å
964	L	74.1	Confident	72.1	Confident	102 Å²	102	103.4 Å²	103.4	53%	0.534	52%	0.523	S	S	.	.	H	α-helix	trans	-68.9	-42.6	173.4	-74	170	0	0	0	111.3	I960 C961 S962 R967 L968	I960-L964 HydrophobicContact CG2-CD1 3.8Å; I960-L964 HydrophobicContact CG2-CG 4.33Å; I960-L964 WeakPolarHBondContact O-CB 3.4Å; I960-L964 WeakPolarHBondContact O-CG 3.34Å; I960-L964 PolarHBondContact O-N 3.07Å; C961-L964 PolarHBondContact O-N 3.09Å; S962-L964 VanDerWaalsContact C-N 3.34Å; S962-L964 PolarHBondContact O-N 3.22Å; L964-R967 PolarHBondContact O-N 2.93Å; L964-L968 WeakPolarHBondContact O-CB 3.49Å; L964-L968 PolarHBondContact O-N 3.22Å
965	S	71.1	Confident	71.6	Confident	77 Å²	77	102.4 Å²	102.4	54%	0.538	52%	0.521	S	S	.	.	H	α-helix	trans	-60.4	-47.2	173.1	-59.2	0	0	0	0	111.8	C961 S962 R967 L968 E969	C961-S965 PolarHBondContact O-N 2.75Å; C961-S965 PolarHBondContact O-OG 2.77Å; C961-S965 VanDerWaalsContact O-OG 3.05Å; S962-S965 PolarHBondContact O-N 2.75Å; S965-R967 VanDerWaalsContact C-N 3.34Å; S965-R967 PolarHBondContact O-N 2.69Å; S965-L968 PolarHBondContact O-N 2.96Å; S965-E969 PolarHBondContact O-N 2.94Å
966	E	72.7	Confident	71	Confident	95 Å²	95	109.4 Å²	109.4	44%	0.444	54%	0.536	S	S	.	.	H	α-helix	trans	-65.3	-36	179.2	-157.4	-152.4	-169.8	0	0	112.1	S962 K970	S962-E966 PolarHBondContact O-N 3.08Å; E966-K970 HydrophobicContact CG-CD 4.48Å; E966-K970 WeakPolarHBondContact O-CB 3.42Å; E966-K970 WeakPolarHBondContact O-CD 3.45Å; E966-K970 VanDerWaalsContact O-CG 3.26Å; E966-K970 WeakPolarHBondContact O-CG 3.31Å; E966-K970 PolarHBondContact O-N 3.46Å; E966-K970 WeakPolarHBondContact OE1-CE 3.37Å; E966-K970 IonicContact OE1-NZ 3.81Å; E966-K970 PolarHBondContact OE1-NZ 3.42Å; E966-K970 IonicContact OE2-NZ 2.81Å; E966-K970 PolarHBondContact OE2-NZ 2.92Å
967	R	74	Confident	70.2	Confident	174 Å²	174	105.8 Å²	105.8	66%	0.657	53%	0.529	S	S	*	.	H	α-helix	trans	-66.1	-44	171.5	-83.3	-177	176.7	178.6	1.7	112.2	Q963 L964 S965 E969 K970 Q971	Q963-R967 WeakPolarHBondContact O-CB 3.4Å; Q963-R967 WeakPolarHBondContact O-CG 3.39Å; Q963-R967 PolarHBondContact O-N 2.85Å; L964-R967 PolarHBondContact O-N 2.93Å; S965-R967 VanDerWaalsContact C-N 3.34Å; S965-R967 PolarHBondContact O-N 2.69Å; R967-E969 VanDerWaalsContact C-N 3.32Å; R967-E969 PolarHBondContact O-N 3.34Å; R967-K970 PolarHBondContact O-N 3.24Å; R967-Q971 WeakPolarHBondContact O-CB 3.21Å; R967-Q971 PolarHBondContact O-N 3.36Å
968	L	70.1	Confident	69.8	Low	98 Å²	98	103.8 Å²	103.8	51%	0.513	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-43.2	179.3	-177.1	63.7	0	0	0	110.8	L964 S965 Q971 Q972	L964-L968 WeakPolarHBondContact O-CB 3.49Å; L964-L968 PolarHBondContact O-N 3.22Å; S965-L968 PolarHBondContact O-N 2.96Å; L968-Q971 PolarHBondContact O-N 2.69Å; L968-Q972 WeakPolarHBondContact O-CB 3.41Å; L968-Q972 WeakPolarHBondContact O-CG 3.43Å; L968-Q972 PolarHBondContact O-N 3.46Å
969	E	68.8	Low	69.1	Low	131 Å²	131	102.3 Å²	102.3	61%	0.612	52%	0.523	S	S	*	.	H	α-helix	trans	-66.5	-41.9	177.2	-168.1	171.4	-138.1	0	0	112.2	S965 R967 Q971 T973	S965-E969 PolarHBondContact O-N 2.94Å; R967-E969 VanDerWaalsContact C-N 3.32Å; R967-E969 PolarHBondContact O-N 3.34Å; E969-Q971 VanDerWaalsContact C-N 3.34Å; E969-Q971 PolarHBondContact O-N 2.95Å; E969-T973 WeakPolarHBondContact O-CB 3.28Å; E969-T973 WeakPolarHBondContact O-CG2 3.29Å; E969-T973 PolarHBondContact O-N 2.93Å; E969-T973 PolarHBondContact O-OG1 3.5Å
970	K	71.1	Confident	68.3	Low	116 Å²	116	100.9 Å²	100.9	50%	0.504	52%	0.517	S	S	.	.	H	α-helix	trans	-63.5	-36.4	172.2	-74.4	169.5	-174.3	169.9	0	112.7	E966 R967 T973 A974	E966-K970 HydrophobicContact CG-CD 4.48Å; E966-K970 WeakPolarHBondContact O-CB 3.42Å; E966-K970 WeakPolarHBondContact O-CD 3.45Å; E966-K970 VanDerWaalsContact O-CG 3.26Å; E966-K970 WeakPolarHBondContact O-CG 3.31Å; E966-K970 PolarHBondContact O-N 3.46Å; E966-K970 WeakPolarHBondContact OE1-CE 3.37Å; E966-K970 IonicContact OE1-NZ 3.81Å; E966-K970 PolarHBondContact OE1-NZ 3.42Å; E966-K970 IonicContact OE2-NZ 2.81Å; E966-K970 PolarHBondContact OE2-NZ 2.92Å; R967-K970 PolarHBondContact O-N 3.24Å; K970-T973 WeakPolarHBondContact CA-OG1 3.37Å; K970-T973 PolarHBondContact O-OG1 2.83Å; K970-T973 VanDerWaalsContact O-OG1 3.09Å; K970-A974 VanDerWaalsContact O-CB 3.31Å; K970-A974 WeakPolarHBondContact O-CB 3.46Å; K970-A974 PolarHBondContact O-N 3.48Å
971	Q	66.6	Low	67.7	Low	129 Å²	129	103.1 Å²	103.1	60%	0.603	52%	0.523	S	S	*	.	H	α-helix	trans	-72.9	-45.4	177.9	-170.9	170	-4.9	0	0	111.4	R967 L968 E969 T973 A974 T975	R967-Q971 WeakPolarHBondContact O-CB 3.21Å; R967-Q971 PolarHBondContact O-N 3.36Å; L968-Q971 PolarHBondContact O-N 2.69Å; E969-Q971 VanDerWaalsContact C-N 3.34Å; E969-Q971 PolarHBondContact O-N 2.95Å; Q971-T973 VanDerWaalsContact C-N 3.34Å; Q971-T973 PolarHBondContact O-N 3.42Å; Q971-A974 PolarHBondContact O-N 3.21Å; Q971-T975 PolarHBondContact O-N 3.26Å; Q971-T975 PolarHBondContact O-OG1 3Å; Q971-T975 VanDerWaalsContact O-OG1 3.13Å
972	Q	63.7	Low	67.3	Low	124 Å²	124	105.6 Å²	105.6	58%	0.579	53%	0.532	S	S	*	.	H	α-helix	trans	-60.2	-41.9	175.2	-74	-180	6.4	0	0	112.1	L968 R976	L968-Q972 WeakPolarHBondContact O-CB 3.41Å; L968-Q972 WeakPolarHBondContact O-CG 3.43Å; L968-Q972 PolarHBondContact O-N 3.46Å; Q972-R976 VanDerWaalsContact O-CB 3.27Å; Q972-R976 WeakPolarHBondContact O-CB 3.45Å; Q972-R976 PolarHBondContact O-N 3.47Å
973	T	64.9	Low	66.8	Low	88 Å²	88	107.4 Å²	107.4	54%	0.54	53%	0.526	S	S	.	.	H	α-helix	trans	-68.5	-36.9	176.1	48.3	0	0	0	0	112.6	E969 K970 Q971 G977	E969-T973 WeakPolarHBondContact O-CB 3.28Å; E969-T973 WeakPolarHBondContact O-CG2 3.29Å; E969-T973 PolarHBondContact O-N 2.93Å; E969-T973 PolarHBondContact O-OG1 3.5Å; K970-T973 WeakPolarHBondContact CA-OG1 3.37Å; K970-T973 PolarHBondContact O-OG1 2.83Å; K970-T973 VanDerWaalsContact O-OG1 3.09Å; Q971-T973 VanDerWaalsContact C-N 3.34Å; Q971-T973 PolarHBondContact O-N 3.42Å; T973-G977 PolarHBondContact O-N 3.29Å
974	A	66.4	Low	66.3	Low	56 Å²	56	106.7 Å²	106.7	46%	0.463	53%	0.532	S	S	.	.	H	α-helix	trans	-62.9	-52.5	172.5	0	0	0	0	0	112.2	K970 Q971 R976 G977 E978	K970-A974 VanDerWaalsContact O-CB 3.31Å; K970-A974 WeakPolarHBondContact O-CB 3.46Å; K970-A974 PolarHBondContact O-N 3.48Å; Q971-A974 PolarHBondContact O-N 3.21Å; A974-R976 VanDerWaalsContact C-N 3.29Å; A974-R976 PolarHBondContact O-N 3.33Å; A974-G977 CarbonylContact O-C 3.57Å; A974-G977 WeakPolarHBondContact O-CA 3.45Å; A974-G977 PolarHBondContact O-N 2.87Å; A974-E978 PolarHBondContact O-N 2.95Å
975	T	62.3	Low	65.8	Low	71 Å²	71	110 Å²	110	44%	0.436	54%	0.542	S	S	.	.	H	α-helix	trans	-61.5	-36.1	179.2	-55.3	0	0	0	0	112	Q971 E978 L979	Q971-T975 PolarHBondContact O-N 3.26Å; Q971-T975 PolarHBondContact O-OG1 3Å; Q971-T975 VanDerWaalsContact O-OG1 3.13Å; T975-E978 PolarHBondContact O-N 3.01Å; T975-L979 PolarHBondContact O-N 2.7Å
976	R	64.5	Low	65.3	Low	183 Å²	183	108.4 Å²	108.4	69%	0.691	53%	0.529	S	S	*	.	H	α-helix	trans	-61.9	-43.5	171.3	-171.5	176.9	-174.5	170.4	3.1	111.8	Q972 A974 E978 L979 E980	Q972-R976 VanDerWaalsContact O-CB 3.27Å; Q972-R976 WeakPolarHBondContact O-CB 3.45Å; Q972-R976 PolarHBondContact O-N 3.47Å; A974-R976 VanDerWaalsContact C-N 3.29Å; A974-R976 PolarHBondContact O-N 3.33Å; R976-E978 VanDerWaalsContact C-N 3.3Å; R976-E978 PolarHBondContact O-N 2.93Å; R976-L979 PolarHBondContact O-N 3.49Å; R976-E980 PolarHBondContact O-N 3.23Å
977	G	64.7	Low	64.6	Low	33 Å²	33	110.7 Å²	110.7	34%	0.34	54%	0.539	S	S	.	.	H	α-helix	trans	-65.8	-27.4	175.5	0	0	0	0	0	114.3	T973 A974 K981	T973-G977 PolarHBondContact O-N 3.29Å; A974-G977 CarbonylContact O-C 3.57Å; A974-G977 WeakPolarHBondContact O-CA 3.45Å; A974-G977 PolarHBondContact O-N 2.87Å; G977-K981 WeakPolarHBondContact O-CD 3.25Å; G977-K981 VanDerWaalsContact O-CG 3.3Å; G977-K981 WeakPolarHBondContact O-CG 3.47Å; G977-K981 PolarHBondContact O-N 3.49Å
978	E	63.7	Low	64	Low	121 Å²	121	105.9 Å²	105.9	57%	0.565	54%	0.544	S	S	*	.	H	α-helix	trans	-79.2	-39.9	173.1	-66.6	-167.6	141.9	0	0	112.6	A974 T975 R976 E980 K981 I982	A974-E978 PolarHBondContact O-N 2.95Å; T975-E978 PolarHBondContact O-N 3.01Å; R976-E978 VanDerWaalsContact C-N 3.3Å; R976-E978 PolarHBondContact O-N 2.93Å; E978-E980 VanDerWaalsContact C-N 3.31Å; E978-E980 PolarHBondContact O-N 3.07Å; E978-K981 WeakPolarHBondContact O-CB 3.48Å; E978-K981 PolarHBondContact O-N 2.88Å; E978-I982 WeakPolarHBondContact O-CG1 3.38Å; E978-I982 PolarHBondContact O-N 3.45Å
979	L	59.8	Low	63.2	Low	111 Å²	111	103.5 Å²	103.5	58%	0.581	54%	0.535	S	S	*	.	H	α-helix	trans	-58.7	-40.9	171.1	-83	165.4	0	0	0	112.2	T975 R976 I982 R983	T975-L979 PolarHBondContact O-N 2.7Å; R976-L979 PolarHBondContact O-N 3.49Å; L979-I982 PolarHBondContact O-N 2.84Å; L979-R983 WeakPolarHBondContact O-CB 3.44Å; L979-R983 PolarHBondContact O-N 3.48Å
980	E	61.9	Low	62.8	Low	91 Å²	91	106.5 Å²	106.5	43%	0.425	55%	0.549	S	S	.	.	H	α-helix	trans	-66.6	-36.9	176.5	-142	69.9	-114.3	0	0	112	R976 E978 R983 S984	R976-E980 PolarHBondContact O-N 3.23Å; E978-E980 VanDerWaalsContact C-N 3.31Å; E978-E980 PolarHBondContact O-N 3.07Å; E980-R983 PolarHBondContact O-N 3.45Å; E980-R983 WeakPolarHBondContact OE1-CD 3.45Å; E980-R983 IonicContact OE1-CZ 2.7Å; E980-R983 IonicContact OE1-NE 2.73Å; E980-R983 IonicContact OE1-NH1 3.19Å; E980-R983 PolarHBondContact OE1-NH1 3.14Å; E980-R983 IonicContact OE2-NH1 2.67Å; E980-S984 WeakPolarHBondContact O-CB 3.43Å; E980-S984 PolarHBondContact O-N 3.32Å
981	K	65.6	Low	62.1	Low	139 Å²	139	109.6 Å²	109.6	60%	0.604	56%	0.563	S	S	*	*	H	α-helix	trans	-66.2	-36.5	172.3	-73.8	167.4	-175.1	168.6	0	112.6	G977 E978 K985	G977-K981 WeakPolarHBondContact O-CD 3.25Å; G977-K981 VanDerWaalsContact O-CG 3.3Å; G977-K981 WeakPolarHBondContact O-CG 3.47Å; G977-K981 PolarHBondContact O-N 3.49Å; E978-K981 WeakPolarHBondContact O-CB 3.48Å; E978-K981 PolarHBondContact O-N 2.88Å; K981-K985 WeakPolarHBondContact O-CG 3.35Å; K981-K985 PolarHBondContact O-N 3.02Å
982	I	62.5	Low	61.6	Low	104 Å²	104	106 Å²	106	53%	0.533	55%	0.551	S	S	.	*	H	α-helix	trans	-69.1	-47.2	175.6	-69.2	167	0	0	0	109.8	E978 L979 S984 K985 V986	E978-I982 WeakPolarHBondContact O-CG1 3.38Å; E978-I982 PolarHBondContact O-N 3.45Å; L979-I982 PolarHBondContact O-N 2.84Å; I982-S984 PolarHBondContact O-N 3.24Å; I982-K985 PolarHBondContact O-N 3.28Å; I982-K985 VanDerWaalsContact O-N 3.15Å; I982-V986 HydrophobicContact CG2-CG2 4.45Å; I982-V986 WeakPolarHBondContact O-CG2 3.37Å; I982-V986 PolarHBondContact O-N 2.93Å
983	R	59.9	Low	61.2	Low	117 Å²	117	103 Å²	103	44%	0.442	54%	0.544	S	S	.	.	H	α-helix	trans	-53	-52.1	174.4	178.1	-178.6	-75.5	161.5	-10.4	111.5	L979 E980 K985 V986 E987	L979-R983 WeakPolarHBondContact O-CB 3.44Å; L979-R983 PolarHBondContact O-N 3.48Å; E980-R983 PolarHBondContact O-N 3.45Å; E980-R983 WeakPolarHBondContact OE1-CD 3.45Å; E980-R983 IonicContact OE1-CZ 2.7Å; E980-R983 IonicContact OE1-NE 2.73Å; E980-R983 IonicContact OE1-NH1 3.19Å; E980-R983 PolarHBondContact OE1-NH1 3.14Å; E980-R983 IonicContact OE2-NH1 2.67Å; R983-K985 VanDerWaalsContact C-N 3.28Å; R983-K985 PolarHBondContact O-N 2.86Å; R983-V986 PolarHBondContact O-N 3.47Å; R983-E987 PolarHBondContact O-N 3.4Å
984	S	63.2	Low	60.6	Low	81 Å²	81	103.3 Å²	103.3	57%	0.566	55%	0.549	S	S	*	.	H	α-helix	trans	-58.8	-35.8	179.3	178.8	0	0	0	0	113.2	E980 I982 G988	E980-S984 WeakPolarHBondContact O-CB 3.43Å; E980-S984 PolarHBondContact O-N 3.32Å; I982-S984 PolarHBondContact O-N 3.24Å; S984-G988 PolarHBondContact O-N 2.93Å
985	K	64	Low	60	Low	171 Å²	171	104.8 Å²	104.8	74%	0.743	55%	0.549	S	S	*	.	H	α-helix	trans	-74.1	-26.6	173.9	-75.3	-178.4	176.6	-176.7	0	114.1	K981 I982 R983	K981-K985 WeakPolarHBondContact O-CG 3.35Å; K981-K985 PolarHBondContact O-N 3.02Å; I982-K985 PolarHBondContact O-N 3.28Å; I982-K985 VanDerWaalsContact O-N 3.15Å; R983-K985 VanDerWaalsContact C-N 3.28Å; R983-K985 PolarHBondContact O-N 2.86Å
986	V	61	Low	59.6	Low	44 Å²	44	105.5 Å²	105.5	27%	0.267	55%	0.546	S	S	.	.	H	α-helix	trans	-80.2	-38.1	177.6	171.3	0	0	0	0	111.6	I982 R983 G988 C989 F996	I982-V986 HydrophobicContact CG2-CG2 4.45Å; I982-V986 WeakPolarHBondContact O-CG2 3.37Å; I982-V986 PolarHBondContact O-N 2.93Å; R983-V986 PolarHBondContact O-N 3.47Å; V986-G988 VanDerWaalsContact C-N 3.32Å; V986-G988 PolarHBondContact O-N 3.39Å; V986-C989 PolarHBondContact O-N 3.35Å; V986-F996 HydrophobicContact CG1-CD2 3.94Å; V986-F996 HydrophobicContact CG1-CE2 4.14Å
987	E	58.9	Low	59.4	Low	142 Å²	142	99.9 Å²	99.9	66%	0.664	53%	0.53	S	S	*	.	H	α-helix	trans	-64.9	-34.9	175.2	-71.5	-176.8	125.1	0	0	112.4	R983 C989	R983-E987 PolarHBondContact O-N 3.4Å; E987-C989 PolarHBondContact O-N 2.99Å; E987-C989 VanDerWaalsContact O-N 3.15Å
988	G	59.6	Low	58.9	Low	73 Å²	73	108 Å²	108	75%	0.753	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	9.2	179.3	0	0	0	0	0	116.4	S984 V986	S984-G988 PolarHBondContact O-N 2.93Å; V986-G988 VanDerWaalsContact C-N 3.32Å; V986-G988 PolarHBondContact O-N 3.39Å
989	C	55.4	Low	58.6	Low	49 Å²	49	109.6 Å²	109.6	33%	0.331	56%	0.564	S	S	.	*			trans	-121.3	109.3	-176.3	-173.5	0	0	0	0	112.7	V986 E987 K991 C992 S993	V986-C989 PolarHBondContact O-N 3.35Å; E987-C989 PolarHBondContact O-N 2.99Å; E987-C989 VanDerWaalsContact O-N 3.15Å; C989-K991 PolarHBondContact O-N 3.43Å; C989-C992 HydrophobicContact CB-CB 4.04Å; C989-C992 PolarHBondContact O-N 3.04Å; C989-C992 VanDerWaalsContact SG-SG 3.65Å; C989-S993 PolarHBondContact O-N 2.9Å; C989-S993 VanDerWaalsContact O-N 3.16Å
990	E	59.8	Low	58.4	Low	193 Å²	193	106.4 Å²	106.4	90%	0.902	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-12.5	-176.5	-61.4	-171.8	142.6	0	0	115.5
991	K	57	Low	57.9	Low	182 Å²	182	112 Å²	112	79%	0.791	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	-7.7	176.5	-67.6	-173.7	179.1	179.9	0	114.6	C989	C989-K991 PolarHBondContact O-N 3.43Å
992	C	54.7	Low	57	Low	52 Å²	52	109.8 Å²	109.8	35%	0.351	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.5	-26.2	-175.8	-62.9	0	0	0	0	113.6	C989 S994 L995	C989-C992 HydrophobicContact CB-CB 4.04Å; C989-C992 PolarHBondContact O-N 3.04Å; C989-C992 VanDerWaalsContact SG-SG 3.65Å; C992-S994 PolarHBondContact O-N 3.14Å; C992-L995 PolarHBondContact O-N 2.93Å
993	S	55.1	Low	56.3	Low	61 Å²	61	114.8 Å²	114.8	43%	0.427	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-62.8	-25.1	-178.5	60	0	0	0	0	114.1	C989 L995	C989-S993 PolarHBondContact O-N 2.9Å; C989-S993 VanDerWaalsContact O-N 3.16Å; S993-L995 VanDerWaalsContact C-N 3.32Å; S993-L995 PolarHBondContact O-N 2.94Å
994	S	53.4	Low	55.6	Low	95 Å²	95	114.1 Å²	114.1	66%	0.664	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-77.4	-10.4	179	56.3	0	0	0	0	115	C992	C992-S994 PolarHBondContact O-N 3.14Å
995	L	53.8	Low	54.2	Low	87 Å²	87	114.7 Å²	114.7	46%	0.455	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-91.8	-15.2	-177.2	-67.3	173.1	0	0	0	113.8	C992 S993 V1002 R1003	C992-L995 PolarHBondContact O-N 2.93Å; S993-L995 VanDerWaalsContact C-N 3.32Å; S993-L995 PolarHBondContact O-N 2.94Å; L995-V1002 WeakPolarHBondContact O-CA 3.27Å; L995-R1003 PolarHBondContact O-N 3.06Å
996	F	52.8	Low	52.9	Low	86 Å²	86	112.9 Å²	112.9	38%	0.377	62%	0.617	S	S	.	*	B	Isolated β-bridge	trans	-113.1	146.4	-175.6	-69.9	-95.9	0	0	0	112.1	V986 R1001 V1002	V986-F996 HydrophobicContact CG1-CD2 3.94Å; V986-F996 HydrophobicContact CG1-CE2 4.14Å; F996-R1001 WeakPolarHBondContact CA-O 3.44Å; F996-V1002 HydrophobicContact CD1-CG2 3.82Å; F996-V1002 HydrophobicContact CE1-CG2 3.32Å; F996-V1002 HydrophobicContact CE2-CG2 4.16Å; F996-V1002 HydrophobicContact CG-CG2 4.45Å; F996-V1002 HydrophobicContact CZ-CG2 3.51Å
997	N	60.1	Low	51.7	Low	65 Å²	65	116.6 Å²	116.6	35%	0.348	64%	0.639	S	S	.	*			trans	-85.2	174.6	168.9	81.8	-19.9	0	0	0	112.1	E999 G1000 R1001	N997-E999 PolarHBondContact ND2-OE2 3Å; N997-E999 PolarHBondContact O-N 2.79Å; N997-E999 VanDerWaalsContact O-N 3.07Å; N997-E999 PolarHBondContact OD1-N 3.05Å; N997-G1000 PolarHBondContact O-N 3.48Å; N997-G1000 PolarHBondContact OD1-N 2.99Å; N997-R1001 PolarHBondContact N-O 2.69Å; N997-R1001 PolarHBondContact OD1-N 2.97Å
998	K	55.7	Low	50.6	Low	205 Å²	205	116.2 Å²	116.2	89%	0.891	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-13	-179.2	-72.4	-169.9	174.9	-173.9	0	115.1
999	E	57.5	Low	49.4	Very low	154 Å²	154	116.9 Å²	116.9	72%	0.72	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-7.9	172.2	-60.1	101.1	-145.2	0	0	113.8	N997	N997-E999 PolarHBondContact ND2-OE2 3Å; N997-E999 PolarHBondContact O-N 2.79Å; N997-E999 VanDerWaalsContact O-N 3.07Å; N997-E999 PolarHBondContact OD1-N 3.05Å
1000	G	54.7	Low	49	Very low	44 Å²	44	120.6 Å²	120.6	45%	0.454	67%	0.669	S	S	.	*	S	Bend	trans	93.5	28.8	176.4	0	0	0	0	0	116.3	N997	N997-G1000 PolarHBondContact O-N 3.48Å; N997-G1000 PolarHBondContact OD1-N 2.99Å
1001	R	51.9	Low	47.5	Very low	208 Å²	208	116.3 Å²	116.3	79%	0.785	67%	0.667	S	S	*	*			trans	-108.7	147	171	-96.7	-174.5	168.4	-159	-4.3	113.8	F996 N997	F996-R1001 WeakPolarHBondContact CA-O 3.44Å; N997-R1001 PolarHBondContact N-O 2.69Å; N997-R1001 PolarHBondContact OD1-N 2.97Å
1002	V	46.6	Very low	46.2	Very low	92 Å²	92	115.9 Å²	115.9	56%	0.558	67%	0.673	S	S	*	*	B	Isolated β-bridge	trans	-84.9	147.1	-175.3	-179.1	0	0	0	0	112.4	L995 F996	L995-V1002 WeakPolarHBondContact O-CA 3.27Å; F996-V1002 HydrophobicContact CD1-CG2 3.82Å; F996-V1002 HydrophobicContact CE1-CG2 3.32Å; F996-V1002 HydrophobicContact CE2-CG2 4.16Å; F996-V1002 HydrophobicContact CG-CG2 4.45Å; F996-V1002 HydrophobicContact CZ-CG2 3.51Å
1003	R	47.5	Very low	45.3	Very low	210 Å²	210	116.8 Å²	116.8	79%	0.792	69%	0.691	S	S	*	*			trans	-97.3	136.7	166.6	-67.9	178.9	171.4	-177.9	-3.1	111.3	L995	L995-R1003 PolarHBondContact O-N 3.06Å
1004	A	44.8	Very low	44.4	Very low	103 Å²	103	120.3 Å²	120.3	85%	0.851	71%	0.71	S	S	*	*			trans	-129.4	149.1	-176.7	0	0	0	0	0	113
1005	A	34.3	Very low	43.7	Very low	92 Å²	92	125 Å²	125	76%	0.76	72%	0.722	S	S	*	*			trans	-159.5	125.5	169.6	0	0	0	0	0	112.9
1006	V	36.8	Very low	43	Very low	133 Å²	133	129.9 Å²	129.9	81%	0.806	74%	0.742	S	S	*	*			trans	42	119.5	131.4	-170.4	0	0	0	0	117
1007	T	34.9	Very low	42.5	Very low	122 Å²	122	131.1 Å²	131.1	75%	0.748	76%	0.757	S	S	*	*			cis	-147.6	-177.4	25	-1.5	0	0	0	0	108.7
1008	T	35.7	Very low	42.2	Very low	135 Å²	135	132.8 Å²	132.8	83%	0.828	77%	0.766	S	S	*	*			cis	-153.2	-164	28.7	-24.2	0	0	0	0	111.7
1009	A	35.4	Very low	42.2	Very low	86 Å²	86	130.4 Å²	130.4	71%	0.711	76%	0.758	S	S	*	*			trans	-128.6	177.6	-177.1	0	0	0	0	0	110.8
1010	P	47.6	Very low	42.3	Very low	127 Å²	127	131.3 Å²	131.3	83%	0.825	76%	0.762	S	S	*	*			cis	-134.3	151.1	-0.3	39.3	-22.9	0	0	0	116.6
1011	A	28	Very low	42.3	Very low	104 Å²	104	134.5 Å²	134.5	86%	0.86	76%	0.763	S	S	*	*			trans	-168.7	163.1	149.4	0	0	0	0	0	110.8
1012	D	30	Very low	42.7	Very low	173 Å²	173	128.7 Å²	128.7	93%	0.925	75%	0.745	S	S	*	*			trans	-46	149.1	176.5	-77.5	-57.3	0	0	0	115.9
1013	G	35.2	Very low	43.7	Very low	71 Å²	71	125.9 Å²	125.9	73%	0.732	74%	0.735	S	S	*	*			trans	169	98.3	169.9	0	0	0	0	0	114
1014	T	36.8	Very low	44.7	Very low	134 Å²	134	121.3 Å²	121.3	82%	0.822	73%	0.726	S	S	*	*			trans	-27.2	137.7	169.2	40.8	0	0	0	0	117.8	E1016	T1014-E1016 PolarHBondContact O-N 3.49Å
1015	E	38.4	Very low	45.7	Very low	194 Å²	194	121 Å²	121	91%	0.907	71%	0.705	S	S	*	*			trans	-71.3	113.6	163.8	-60.5	-179.9	134.9	0	0	110.2	T1017	E1015-T1017 PolarHBondContact O-N 3.38Å
1016	E	38.2	Very low	47.4	Very low	190 Å²	190	120.3 Å²	120.3	89%	0.888	69%	0.688	S	S	*	*			trans	-76.9	113.9	171.6	-74.7	-176	145.3	0	0	110.6	T1014	T1014-E1016 PolarHBondContact O-N 3.49Å
1017	T	43.3	Very low	49.1	Very low	111 Å²	111	119.4 Å²	119.4	68%	0.681	68%	0.675	S	S	*	*			trans	-79.8	153.1	171	42.8	0	0	0	0	112.3	E1015 E1019	E1015-T1017 PolarHBondContact O-N 3.38Å; T1017-E1019 VanDerWaalsContact C-N 3.25Å; T1017-E1019 PolarHBondContact O-N 3.38Å
1018	D	53.1	Low	50.9	Low	100 Å²	100	118.3 Å²	118.3	54%	0.535	66%	0.664	S	S	.	*			trans	-70.7	54.6	-166.2	-156.6	-8.1	0	0	0	114.5	K1021 E1022	D1018-K1021 PolarHBondContact O-N 3.4Å; D1018-K1021 VanDerWaalsContact OD1-CB 3.27Å; D1018-K1021 WeakPolarHBondContact OD1-CB 3.04Å; D1018-K1021 VanDerWaalsContact OD1-CD 3.31Å; D1018-K1021 WeakPolarHBondContact OD1-CD 3.39Å; D1018-K1021 WeakPolarHBondContact OD2-CD 3.46Å; D1018-K1021 WeakPolarHBondContact OD2-CE 2.98Å; D1018-K1021 IonicContact OD2-NZ 2.78Å; D1018-K1021 PolarHBondContact OD2-NZ 2.67Å; D1018-E1022 PolarHBondContact O-N 2.86Å
1019	E	56	Low	52.6	Low	156 Å²	156	118.6 Å²	118.6	73%	0.729	65%	0.65	S	S	*	*	H	α-helix	trans	-61.6	-45.4	-170.3	-71.1	-165.1	160.5	0	0	114.1	T1017 K1021 E1022 G1023	T1017-E1019 VanDerWaalsContact C-N 3.25Å; T1017-E1019 PolarHBondContact O-N 3.38Å; E1019-K1021 PolarHBondContact O-N 2.87Å; E1019-E1022 PolarHBondContact O-N 2.81Å; E1019-G1023 PolarHBondContact O-N 2.64Å
1020	E	58.5	Low	54.4	Low	172 Å²	172	120.5 Å²	120.5	80%	0.804	65%	0.645	S	S	*	*	H	α-helix	trans	-58.1	-35.7	-176.9	-66.7	-166.9	132.9	0	0	112.7	G1023 L1024	E1020-G1023 PolarHBondContact O-N 3.12Å; E1020-L1024 WeakPolarHBondContact O-CG 3.38Å; E1020-L1024 PolarHBondContact O-N 2.92Å
1021	K	55.6	Low	55.6	Low	111 Å²	111	119.8 Å²	119.8	48%	0.483	63%	0.632	S	S	.	*	H	α-helix	trans	-77.4	-33.2	-176.8	-177.2	-168.3	-171.1	-178	0	112.7	D1018 E1019 K1025	D1018-K1021 PolarHBondContact O-N 3.4Å; D1018-K1021 VanDerWaalsContact OD1-CB 3.27Å; D1018-K1021 WeakPolarHBondContact OD1-CB 3.04Å; D1018-K1021 VanDerWaalsContact OD1-CD 3.31Å; D1018-K1021 WeakPolarHBondContact OD1-CD 3.39Å; D1018-K1021 WeakPolarHBondContact OD2-CD 3.46Å; D1018-K1021 WeakPolarHBondContact OD2-CE 2.98Å; D1018-K1021 IonicContact OD2-NZ 2.78Å; D1018-K1021 PolarHBondContact OD2-NZ 2.67Å; E1019-K1021 PolarHBondContact O-N 2.87Å; K1021-K1025 WeakPolarHBondContact O-CG 3.31Å; K1021-K1025 PolarHBondContact O-N 2.96Å
1022	E	59.2	Low	57.9	Low	87 Å²	87	120.3 Å²	120.3	41%	0.407	62%	0.616	S	S	.	*	H	α-helix	trans	-75	-34.8	171.3	-149.7	63.1	-159.3	0	0	110.3	D1018 E1019 K1025 N1026	D1018-E1022 PolarHBondContact O-N 2.86Å; E1019-E1022 PolarHBondContact O-N 2.81Å; E1022-K1025 PolarHBondContact O-N 3.45Å; E1022-K1025 IonicContact OE1-NZ 2.65Å; E1022-K1025 WeakPolarHBondContact OE2-CD 3.31Å; E1022-K1025 IonicContact OE2-NZ 2.85Å; E1022-K1025 PolarHBondContact OE2-NZ 2.68Å; E1022-N1026 WeakPolarHBondContact O-CB 3.48Å; E1022-N1026 VanDerWaalsContact O-CG 3.24Å; E1022-N1026 PolarHBondContact O-N 3.19Å; E1022-N1026 PolarHBondContact O-ND2 2.83Å
1023	G	68.6	Low	60.3	Low	33 Å²	33	117 Å²	117	34%	0.34	60%	0.598	S	S	.	*	H	α-helix	trans	-56.2	-51.3	168.2	0	0	0	0	0	113.2	E1019 E1020 K1025 N1026 Q1027	E1019-G1023 PolarHBondContact O-N 2.64Å; E1020-G1023 PolarHBondContact O-N 3.12Å; G1023-K1025 VanDerWaalsContact C-N 3.35Å; G1023-K1025 PolarHBondContact O-N 3.01Å; G1023-N1026 PolarHBondContact O-N 3.38Å; G1023-N1026 VanDerWaalsContact O-N 3.12Å; G1023-Q1027 PolarHBondContact O-N 3.44Å
1024	L	68.4	Low	62.3	Low	114 Å²	114	119.1 Å²	119.1	60%	0.597	59%	0.589	S	S	*	*	H	α-helix	trans	-62.6	-36.7	177.5	-77.2	167.6	0	0	0	113.2	E1020 L1028	E1020-L1024 WeakPolarHBondContact O-CG 3.38Å; E1020-L1024 PolarHBondContact O-N 2.92Å; L1024-L1028 PolarHBondContact O-N 3.42Å
1025	K	66	Low	64.2	Low	96 Å²	96	117.3 Å²	117.3	42%	0.417	57%	0.574	S	S	.	*	H	α-helix	trans	-66.1	-37.9	172.2	-75.9	172.6	-174.3	167.5	0	112.6	K1021 E1022 G1023 L1028 R1029	K1021-K1025 WeakPolarHBondContact O-CG 3.31Å; K1021-K1025 PolarHBondContact O-N 2.96Å; E1022-K1025 PolarHBondContact O-N 3.45Å; E1022-K1025 IonicContact OE1-NZ 2.65Å; E1022-K1025 WeakPolarHBondContact OE2-CD 3.31Å; E1022-K1025 IonicContact OE2-NZ 2.85Å; E1022-K1025 PolarHBondContact OE2-NZ 2.68Å; G1023-K1025 VanDerWaalsContact C-N 3.35Å; G1023-K1025 PolarHBondContact O-N 3.01Å; K1025-L1028 PolarHBondContact O-N 3.42Å; K1025-R1029 WeakPolarHBondContact O-CB 3.41Å; K1025-R1029 PolarHBondContact O-N 3.37Å
1026	N	69.9	Low	65.9	Low	77 Å²	77	110.9 Å²	110.9	41%	0.412	55%	0.554	S	S	.	*	H	α-helix	trans	-68.4	-44.3	178.4	-71.5	-26	0	0	0	110.4	E1022 G1023 L1028 R1029 E1030	E1022-N1026 WeakPolarHBondContact O-CB 3.48Å; E1022-N1026 VanDerWaalsContact O-CG 3.24Å; E1022-N1026 PolarHBondContact O-N 3.19Å; E1022-N1026 PolarHBondContact O-ND2 2.83Å; G1023-N1026 PolarHBondContact O-N 3.38Å; G1023-N1026 VanDerWaalsContact O-N 3.12Å; N1026-L1028 VanDerWaalsContact C-N 3.33Å; N1026-L1028 PolarHBondContact O-N 3.01Å; N1026-R1029 PolarHBondContact O-N 3.17Å; N1026-E1030 VanDerWaalsContact O-CB 3.31Å; N1026-E1030 WeakPolarHBondContact O-CB 3.38Å; N1026-E1030 PolarHBondContact O-N 3.39Å
1027	Q	72.4	Confident	67.8	Low	114 Å²	114	107.1 Å²	107.1	53%	0.533	54%	0.536	S	S	.	.	H	α-helix	trans	-58.5	-40.6	171.9	-73.9	-175.4	-27.8	0	0	113	G1023 E1030 M1031	G1023-Q1027 PolarHBondContact O-N 3.44Å; Q1027-E1030 PolarHBondContact O-N 2.89Å; Q1027-M1031 PolarHBondContact O-N 2.64Å
1028	L	72.5	Confident	69.5	Low	99 Å²	99	105.9 Å²	105.9	52%	0.518	53%	0.529	S	S	.	.	H	α-helix	trans	-62.5	-46.1	175.5	-161.1	85.9	0	0	0	111.2	L1024 K1025 N1026 E1030 M1031 E1032	L1024-L1028 PolarHBondContact O-N 3.42Å; K1025-L1028 PolarHBondContact O-N 3.42Å; N1026-L1028 VanDerWaalsContact C-N 3.33Å; N1026-L1028 PolarHBondContact O-N 3.01Å; L1028-E1030 VanDerWaalsContact C-N 3.3Å; L1028-E1030 PolarHBondContact O-N 3.02Å; L1028-M1031 HydrophobicContact CD1-CE 4.38Å; L1028-M1031 PolarHBondContact O-N 2.9Å; L1028-E1032 WeakPolarHBondContact O-CG 3.25Å; L1028-E1032 PolarHBondContact O-N 3.05Å
1029	R	70.3	Confident	70.7	Confident	142 Å²	142	107.3 Å²	107.3	54%	0.536	53%	0.53	S	S	.	.	H	α-helix	trans	-68.4	-29.1	-179.9	-159.4	-176.8	-57	154.3	10.9	112.6	K1025 N1026 L1033	K1025-R1029 WeakPolarHBondContact O-CB 3.41Å; K1025-R1029 PolarHBondContact O-N 3.37Å; N1026-R1029 PolarHBondContact O-N 3.17Å; R1029-L1033 WeakPolarHBondContact O-CB 3.39Å; R1029-L1033 PolarHBondContact O-N 3.03Å; R1029-L1033 VanDerWaalsContact O-N 3.15Å
1030	E	75.1	Confident	71.9	Confident	126 Å²	126	104.7 Å²	104.7	59%	0.589	52%	0.521	S	S	*	.	H	α-helix	trans	-70.1	-48.7	174	-169.1	160.7	-138.5	0	0	110.6	N1026 Q1027 L1028 E1032 L1033 E1034	N1026-E1030 VanDerWaalsContact O-CB 3.31Å; N1026-E1030 WeakPolarHBondContact O-CB 3.38Å; N1026-E1030 PolarHBondContact O-N 3.39Å; Q1027-E1030 PolarHBondContact O-N 2.89Å; L1028-E1030 VanDerWaalsContact C-N 3.3Å; L1028-E1030 PolarHBondContact O-N 3.02Å; E1030-E1032 VanDerWaalsContact C-N 3.32Å; E1030-E1032 PolarHBondContact O-N 2.95Å; E1030-L1033 WeakPolarHBondContact O-CA 3.36Å; E1030-L1033 WeakPolarHBondContact O-CB 3.49Å; E1030-L1033 PolarHBondContact O-N 2.94Å; E1030-E1034 PolarHBondContact O-N 3.42Å
1031	M	72.5	Confident	73	Confident	112 Å²	112	102.5 Å²	102.5	55%	0.552	51%	0.51	S	S	*	.	H	α-helix	trans	-62	-35.3	172.3	-71.5	-172	-62	0	0	113.2	Q1027 L1028 L1033 L1035	Q1027-M1031 PolarHBondContact O-N 2.64Å; L1028-M1031 HydrophobicContact CD1-CE 4.38Å; L1028-M1031 PolarHBondContact O-N 2.9Å; M1031-L1033 VanDerWaalsContact C-N 3.27Å; M1031-L1033 PolarHBondContact O-N 3.27Å; M1031-L1035 VanDerWaalsContact O-CB 3.24Å; M1031-L1035 WeakPolarHBondContact O-CB 3.2Å; M1031-L1035 PolarHBondContact O-N 3.43Å
1032	E	75.1	Confident	74.1	Confident	115 Å²	115	102 Å²	102	54%	0.537	51%	0.512	S	S	.	.	H	α-helix	trans	-62.6	-34.7	172.4	-76.4	176.6	155.9	0	0	111.9	L1028 E1030 A1036	L1028-E1032 WeakPolarHBondContact O-CG 3.25Å; L1028-E1032 PolarHBondContact O-N 3.05Å; E1030-E1032 VanDerWaalsContact C-N 3.32Å; E1030-E1032 PolarHBondContact O-N 2.95Å; E1032-A1036 WeakPolarHBondContact O-CB 3.36Å; E1032-A1036 PolarHBondContact O-N 3.28Å
1033	L	80.2	Confident	75.3	Confident	104 Å²	104	101.5 Å²	101.5	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-78.1	-40.6	179.3	-158.4	156	0	0	0	111.6	R1029 E1030 M1031 L1035 A1036 Q1037	R1029-L1033 WeakPolarHBondContact O-CB 3.39Å; R1029-L1033 PolarHBondContact O-N 3.03Å; R1029-L1033 VanDerWaalsContact O-N 3.15Å; E1030-L1033 WeakPolarHBondContact O-CA 3.36Å; E1030-L1033 WeakPolarHBondContact O-CB 3.49Å; E1030-L1033 PolarHBondContact O-N 2.94Å; M1031-L1033 VanDerWaalsContact C-N 3.27Å; M1031-L1033 PolarHBondContact O-N 3.27Å; L1033-L1035 VanDerWaalsContact C-N 3.34Å; L1033-L1035 PolarHBondContact O-N 3.38Å; L1033-A1036 WeakPolarHBondContact O-CB 3.32Å; L1033-A1036 PolarHBondContact O-N 3.44Å; L1033-Q1037 HydrophobicContact CD2-CG 4.29Å; L1033-Q1037 PolarHBondContact O-N 2.91Å
1034	E	78.8	Confident	75.9	Confident	115 Å²	115	104.7 Å²	104.7	54%	0.537	52%	0.521	S	S	.	.	H	α-helix	trans	-60.1	-42.1	169.6	-70.3	-172	143	0	0	111.9	E1030 A1036 Q1037 T1038	E1030-E1034 PolarHBondContact O-N 3.42Å; E1034-A1036 VanDerWaalsContact C-N 3.32Å; E1034-A1036 PolarHBondContact O-N 2.89Å; E1034-Q1037 PolarHBondContact O-N 3.15Å; E1034-T1038 WeakPolarHBondContact O-CB 3.33Å; E1034-T1038 PolarHBondContact O-N 3.08Å; E1034-T1038 PolarHBondContact O-OG1 2.88Å
1035	L	76.8	Confident	76.3	Confident	96 Å²	96	101.3 Å²	101.3	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-65.2	-35.9	175.6	-176.7	65	0	0	0	111.8	M1031 L1033 K1039	M1031-L1035 VanDerWaalsContact O-CB 3.24Å; M1031-L1035 WeakPolarHBondContact O-CB 3.2Å; M1031-L1035 PolarHBondContact O-N 3.43Å; L1033-L1035 VanDerWaalsContact C-N 3.34Å; L1033-L1035 PolarHBondContact O-N 3.38Å; L1035-K1039 WeakPolarHBondContact O-CB 3.44Å; L1035-K1039 WeakPolarHBondContact O-CG 3.36Å; L1035-K1039 PolarHBondContact O-N 2.76Å; L1035-K1039 VanDerWaalsContact O-N 3.07Å
1036	A	73.9	Confident	76.8	Confident	59 Å²	59	102.1 Å²	102.1	49%	0.488	52%	0.515	S	S	.	.	H	α-helix	trans	-67.6	-43.3	173.7	0	0	0	0	0	111.9	E1032 L1033 E1034 K1039 L1040	E1032-A1036 WeakPolarHBondContact O-CB 3.36Å; E1032-A1036 PolarHBondContact O-N 3.28Å; L1033-A1036 WeakPolarHBondContact O-CB 3.32Å; L1033-A1036 PolarHBondContact O-N 3.44Å; E1034-A1036 VanDerWaalsContact C-N 3.32Å; E1034-A1036 PolarHBondContact O-N 2.89Å; A1036-K1039 PolarHBondContact O-N 3.16Å; A1036-L1040 PolarHBondContact O-N 2.93Å
1037	Q	78.4	Confident	77.3	Confident	110 Å²	110	101.9 Å²	101.9	51%	0.514	52%	0.519	S	S	.	.	H	α-helix	trans	-62.9	-42.4	174.3	-75.6	-175.9	-16.8	0	0	112.1	L1033 E1034 K1039 L1040 Q1041	L1033-Q1037 HydrophobicContact CD2-CG 4.29Å; L1033-Q1037 PolarHBondContact O-N 2.91Å; E1034-Q1037 PolarHBondContact O-N 3.15Å; Q1037-K1039 VanDerWaalsContact C-N 3.33Å; Q1037-K1039 PolarHBondContact O-N 3.26Å; Q1037-L1040 WeakPolarHBondContact O-CB 3.43Å; Q1037-L1040 PolarHBondContact O-N 2.89Å; Q1037-Q1041 WeakPolarHBondContact O-CG 3.31Å; Q1037-Q1041 PolarHBondContact O-N 3.22Å
1038	T	78.2	Confident	77.8	Confident	86 Å²	86	103 Å²	103	53%	0.528	52%	0.522	S	S	.	.	H	α-helix	trans	-64.2	-38.7	178.4	-55.4	0	0	0	0	111.3	E1034 Q1041 L1042	E1034-T1038 WeakPolarHBondContact O-CB 3.33Å; E1034-T1038 PolarHBondContact O-N 3.08Å; E1034-T1038 PolarHBondContact O-OG1 2.88Å; T1038-Q1041 PolarHBondContact O-N 2.89Å; T1038-L1042 PolarHBondContact O-N 3.44Å
1039	K	77.4	Confident	78.1	Confident	129 Å²	129	102.9 Å²	102.9	56%	0.561	52%	0.521	S	S	*	.	H	α-helix	trans	-66.5	-38	172.8	-76.8	175	178.8	176.6	0	112.8	L1035 A1036 Q1037 L1042 V1043	L1035-K1039 WeakPolarHBondContact O-CB 3.44Å; L1035-K1039 WeakPolarHBondContact O-CG 3.36Å; L1035-K1039 PolarHBondContact O-N 2.76Å; L1035-K1039 VanDerWaalsContact O-N 3.07Å; A1036-K1039 PolarHBondContact O-N 3.16Å; Q1037-K1039 VanDerWaalsContact C-N 3.33Å; Q1037-K1039 PolarHBondContact O-N 3.26Å; K1039-L1042 PolarHBondContact O-N 2.81Å; K1039-V1043 WeakPolarHBondContact O-CG2 3.49Å; K1039-V1043 PolarHBondContact O-N 2.99Å; K1039-V1043 VanDerWaalsContact O-N 3.12Å
1040	L	82.9	Confident	78.4	Confident	102 Å²	102	102.5 Å²	102.5	53%	0.534	53%	0.525	S	S	.	.	H	α-helix	trans	-63.7	-46.6	175.2	-174.8	64.7	0	0	0	110.9	A1036 Q1037 L1042 V1043 E1044	A1036-L1040 PolarHBondContact O-N 2.93Å; Q1037-L1040 WeakPolarHBondContact O-CB 3.43Å; Q1037-L1040 PolarHBondContact O-N 2.89Å; L1040-L1042 VanDerWaalsContact C-N 3.29Å; L1040-L1042 PolarHBondContact O-N 2.87Å; L1040-V1043 PolarHBondContact O-N 3.28Å; L1040-E1044 WeakPolarHBondContact O-CG 3.31Å; L1040-E1044 PolarHBondContact O-N 3.31Å
1041	Q	80.6	Confident	78.7	Confident	126 Å²	126	100.6 Å²	100.6	59%	0.589	52%	0.519	S	S	*	.	H	α-helix	trans	-60.5	-35.8	175.6	-71.8	178.1	2.8	0	0	112.9	Q1037 T1038 A1045	Q1037-Q1041 WeakPolarHBondContact O-CG 3.31Å; Q1037-Q1041 PolarHBondContact O-N 3.22Å; T1038-Q1041 PolarHBondContact O-N 2.89Å; Q1041-A1045 WeakPolarHBondContact O-CB 3.32Å; Q1041-A1045 PolarHBondContact O-N 3.35Å
1042	L	79.6	Confident	79	Confident	100 Å²	100	100.9 Å²	100.9	52%	0.524	52%	0.522	S	S	.	.	H	α-helix	trans	-64.2	-46	174.3	-178.2	62.7	0	0	0	111.6	T1038 K1039 L1040 A1045 E1046	T1038-L1042 PolarHBondContact O-N 3.44Å; K1039-L1042 PolarHBondContact O-N 2.81Å; L1040-L1042 VanDerWaalsContact C-N 3.29Å; L1040-L1042 PolarHBondContact O-N 2.87Å; L1042-A1045 WeakPolarHBondContact O-CB 3.4Å; L1042-A1045 PolarHBondContact O-N 2.86Å; L1042-E1046 WeakPolarHBondContact O-CG 3.38Å; L1042-E1046 PolarHBondContact O-N 3.43Å
1043	V	84.3	Confident	79	Confident	77 Å²	77	101.5 Å²	101.5	47%	0.467	53%	0.525	S	S	.	.	H	α-helix	trans	-66	-39.1	177.2	174.9	0	0	0	0	111.4	K1039 L1040 A1045 E1046 C1047	K1039-V1043 WeakPolarHBondContact O-CG2 3.49Å; K1039-V1043 PolarHBondContact O-N 2.99Å; K1039-V1043 VanDerWaalsContact O-N 3.12Å; L1040-V1043 PolarHBondContact O-N 3.28Å; V1043-A1045 VanDerWaalsContact C-N 3.28Å; V1043-A1045 PolarHBondContact O-N 2.95Å; V1043-E1046 PolarHBondContact O-N 3.39Å; V1043-C1047 WeakPolarHBondContact O-CB 3.46Å; V1043-C1047 PolarHBondContact O-N 3.39Å; V1043-C1047 PolarHBondContact O-SG 2.91Å
1044	E	80.3	Confident	79.1	Confident	99 Å²	99	102 Å²	102	46%	0.463	52%	0.524	S	S	.	.	H	α-helix	trans	-62.7	-33.7	172.7	-73.2	-179	-176	0	0	112.6	L1040 K1048	L1040-E1044 WeakPolarHBondContact O-CG 3.31Å; L1040-E1044 PolarHBondContact O-N 3.31Å; E1044-K1048 WeakPolarHBondContact O-CB 3.49Å; E1044-K1048 WeakPolarHBondContact O-CG 3.43Å; E1044-K1048 PolarHBondContact O-N 3.25Å
1045	A	76	Confident	79	Confident	44 Å²	44	101.7 Å²	101.7	36%	0.364	52%	0.522	S	S	.	.	H	α-helix	trans	-72.9	-43.5	174.2	0	0	0	0	0	112	Q1041 L1042 V1043 K1048 I1049	Q1041-A1045 WeakPolarHBondContact O-CB 3.32Å; Q1041-A1045 PolarHBondContact O-N 3.35Å; L1042-A1045 WeakPolarHBondContact O-CB 3.4Å; L1042-A1045 PolarHBondContact O-N 2.86Å; V1043-A1045 VanDerWaalsContact C-N 3.28Å; V1043-A1045 PolarHBondContact O-N 2.95Å; A1045-K1048 PolarHBondContact O-N 3.27Å; A1045-I1049 WeakPolarHBondContact O-CG1 3.42Å; A1045-I1049 PolarHBondContact O-N 3.15Å
1046	E	77.5	Confident	78.9	Confident	113 Å²	113	102.3 Å²	102.3	53%	0.528	53%	0.526	S	S	.	.	H	α-helix	trans	-61.1	-44.6	175.5	-73.4	178.8	164.5	0	0	111.5	L1042 V1043 K1048 I1049 Q1050	L1042-E1046 WeakPolarHBondContact O-CG 3.38Å; L1042-E1046 PolarHBondContact O-N 3.43Å; V1043-E1046 PolarHBondContact O-N 3.39Å; E1046-K1048 VanDerWaalsContact C-N 3.34Å; E1046-K1048 PolarHBondContact O-N 2.82Å; E1046-I1049 PolarHBondContact O-N 2.93Å; E1046-Q1050 WeakPolarHBondContact O-CB 3.46Å; E1046-Q1050 PolarHBondContact O-N 3.49Å
1047	C	80.8	Confident	79.1	Confident	72 Å²	72	100.9 Å²	100.9	49%	0.486	52%	0.517	S	S	.	.	H	α-helix	trans	-62.2	-37.9	173.8	-72.7	0	0	0	0	112.8	V1043 Q1050 D1051	V1043-C1047 WeakPolarHBondContact O-CB 3.46Å; V1043-C1047 PolarHBondContact O-N 3.39Å; V1043-C1047 PolarHBondContact O-SG 2.91Å; C1047-Q1050 PolarHBondContact O-N 3.38Å; C1047-D1051 WeakPolarHBondContact O-CB 3.43Å; C1047-D1051 PolarHBondContact O-N 3.31Å
1048	K	82.2	Confident	79.1	Confident	136 Å²	136	99.8 Å²	99.8	59%	0.591	51%	0.514	S	S	*	.	H	α-helix	trans	-67.2	-38.8	174.4	-80.1	172.2	-177	164.4	0	112.6	E1044 A1045 E1046 Q1050 D1051 L1052	E1044-K1048 WeakPolarHBondContact O-CB 3.49Å; E1044-K1048 WeakPolarHBondContact O-CG 3.43Å; E1044-K1048 PolarHBondContact O-N 3.25Å; A1045-K1048 PolarHBondContact O-N 3.27Å; E1046-K1048 VanDerWaalsContact C-N 3.34Å; E1046-K1048 PolarHBondContact O-N 2.82Å; K1048-Q1050 VanDerWaalsContact C-N 3.35Å; K1048-D1051 PolarHBondContact O-N 2.85Å; K1048-L1052 WeakPolarHBondContact O-CB 3.27Å; K1048-L1052 VanDerWaalsContact O-CG 3.24Å; K1048-L1052 WeakPolarHBondContact O-CG 3.38Å; K1048-L1052 PolarHBondContact O-N 3.4Å
1049	I	78.8	Confident	78.8	Confident	97 Å²	97	97.9 Å²	97.9	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-62.4	-46.1	174.6	-69.7	163.5	0	0	0	109.5	A1045 E1046 D1051 L1052 E1053	A1045-I1049 WeakPolarHBondContact O-CG1 3.42Å; A1045-I1049 PolarHBondContact O-N 3.15Å; E1046-I1049 PolarHBondContact O-N 2.93Å; I1049-D1051 PolarHBondContact O-N 3.43Å; I1049-L1052 PolarHBondContact O-N 2.82Å; I1049-E1053 WeakPolarHBondContact O-CG 3.4Å; I1049-E1053 PolarHBondContact O-N 3.37Å
1050	Q	76.1	Confident	78.6	Confident	134 Å²	134	96.3 Å²	96.3	63%	0.626	50%	0.504	S	S	*	.	H	α-helix	trans	-64.9	-36.4	-179.6	-163.5	170.6	35.8	0	0	113.1	E1046 C1047 K1048 H1054	E1046-Q1050 WeakPolarHBondContact O-CB 3.46Å; E1046-Q1050 PolarHBondContact O-N 3.49Å; C1047-Q1050 PolarHBondContact O-N 3.38Å; K1048-Q1050 VanDerWaalsContact C-N 3.35Å; Q1050-H1054 PolarHBondContact O-N 2.92Å; Q1050-H1054 VanDerWaalsContact O-N 3.08Å
1051	D	81.4	Confident	78.2	Confident	86 Å²	86	96.5 Å²	96.5	46%	0.46	51%	0.506	S	S	.	.	H	α-helix	trans	-70.1	-37.5	173.3	-172.2	34.3	0	0	0	112.2	C1047 K1048 I1049 H1054 H1055	C1047-D1051 WeakPolarHBondContact O-CB 3.43Å; C1047-D1051 PolarHBondContact O-N 3.31Å; K1048-D1051 PolarHBondContact O-N 2.85Å; I1049-D1051 PolarHBondContact O-N 3.43Å; D1051-H1054 PolarHBondContact O-N 3.08Å; D1051-H1055 PolarHBondContact O-N 2.94Å; D1051-H1055 PolarHBondContact O-ND1 2.69Å; D1051-H1055 IonicContact OD1-CE1 2.67Å; D1051-H1055 PolarHBondContact OD1-CE1 3.41Å; D1051-H1055 IonicContact OD1-ND1 3.21Å; D1051-H1055 PolarHBondContact OD1-ND1 3.04Å; D1051-H1055 VanDerWaalsContact OD1-ND1 3.15Å; D1051-H1055 IonicContact OD2-CE1 2.77Å; D1051-H1055 IonicContact OD2-ND1 3.88Å
1052	L	79.9	Confident	77.9	Confident	119 Å²	119	97.4 Å²	97.4	62%	0.623	51%	0.51	S	S	*	.	H	α-helix	trans	-66.5	-38.4	173.3	-73.4	168.6	0	0	0	112.4	K1048 I1049 H1054 H1055 L1056	K1048-L1052 WeakPolarHBondContact O-CB 3.27Å; K1048-L1052 VanDerWaalsContact O-CG 3.24Å; K1048-L1052 WeakPolarHBondContact O-CG 3.38Å; K1048-L1052 PolarHBondContact O-N 3.4Å; I1049-L1052 PolarHBondContact O-N 2.82Å; L1052-H1054 VanDerWaalsContact C-N 3.34Å; L1052-H1055 PolarHBondContact O-N 2.69Å; L1052-L1056 WeakPolarHBondContact O-CB 3.49Å; L1052-L1056 PolarHBondContact O-N 3.39Å
1053	E	74.8	Confident	77.6	Confident	128 Å²	128	97.4 Å²	97.4	60%	0.598	51%	0.514	S	S	*	.	H	α-helix	trans	-62.5	-40.4	172.1	-74.6	-175.6	153	0	0	111.6	I1049 L1056 G1057	I1049-E1053 WeakPolarHBondContact O-CG 3.4Å; I1049-E1053 PolarHBondContact O-N 3.37Å; E1053-L1056 PolarHBondContact O-N 3.43Å; E1053-G1057 PolarHBondContact O-N 3.03Å
1054	H	81.5	Confident	76.7	Confident	115 Å²	115	99 Å²	99	53%	0.532	52%	0.516	S	S	.	.	H	α-helix	trans	-64	-46.7	175	-178.3	-109.2	0	0	0	112	Q1050 D1051 L1052 L1056 G1057 L1058	Q1050-H1054 PolarHBondContact O-N 2.92Å; Q1050-H1054 VanDerWaalsContact O-N 3.08Å; D1051-H1054 PolarHBondContact O-N 3.08Å; L1052-H1054 VanDerWaalsContact C-N 3.34Å; H1054-L1056 VanDerWaalsContact C-N 3.34Å; H1054-L1056 PolarHBondContact O-N 2.99Å; H1054-G1057 PolarHBondContact O-N 2.95Å; H1054-L1058 WeakPolarHBondContact O-CG 3.26Å; H1054-L1058 PolarHBondContact O-N 2.99Å
1055	H	78.1	Confident	76.2	Confident	107 Å²	107	96.7 Å²	96.7	50%	0.495	52%	0.515	S	S	.	.	H	α-helix	trans	-61.1	-39.8	174.7	-77.9	86.9	0	0	0	112.6	D1051 L1052 G1057 L1058 A1059	D1051-H1055 PolarHBondContact O-N 2.94Å; D1051-H1055 PolarHBondContact O-ND1 2.69Å; D1051-H1055 IonicContact OD1-CE1 2.67Å; D1051-H1055 PolarHBondContact OD1-CE1 3.41Å; D1051-H1055 IonicContact OD1-ND1 3.21Å; D1051-H1055 PolarHBondContact OD1-ND1 3.04Å; D1051-H1055 VanDerWaalsContact OD1-ND1 3.15Å; D1051-H1055 IonicContact OD2-CE1 2.77Å; D1051-H1055 IonicContact OD2-ND1 3.88Å; L1052-H1055 PolarHBondContact O-N 2.69Å; H1055-G1057 VanDerWaalsContact C-N 3.34Å; H1055-L1058 PolarHBondContact O-N 3.33Å; H1055-A1059 PolarHBondContact O-N 3.26Å
1056	L	73.5	Confident	75.8	Confident	109 Å²	109	97.5 Å²	97.5	57%	0.571	52%	0.521	S	S	*	.	H	α-helix	trans	-63.1	-40.1	174.4	-179.2	63	0	0	0	111.8	L1052 E1053 H1054 A1059 L1060	L1052-L1056 WeakPolarHBondContact O-CB 3.49Å; L1052-L1056 PolarHBondContact O-N 3.39Å; E1053-L1056 PolarHBondContact O-N 3.43Å; H1054-L1056 VanDerWaalsContact C-N 3.34Å; H1054-L1056 PolarHBondContact O-N 2.99Å; L1056-A1059 PolarHBondContact O-N 3.09Å; L1056-L1060 HydrophobicContact CG-CD1 4.4Å; L1056-L1060 WeakPolarHBondContact O-CB 3.36Å; L1056-L1060 PolarHBondContact O-N 3.06Å
1057	G	78.5	Confident	75.3	Confident	30 Å²	30	99.6 Å²	99.6	31%	0.309	53%	0.529	S	S	.	.	H	α-helix	trans	-63.1	-39.9	174.2	0	0	0	0	0	113.4	E1053 H1054 H1055 N1061	E1053-G1057 PolarHBondContact O-N 3.03Å; H1054-G1057 PolarHBondContact O-N 2.95Å; H1055-G1057 VanDerWaalsContact C-N 3.34Å; G1057-N1061 PolarHBondContact O-N 3.01Å; G1057-N1061 PolarHBondContact O-ND2 3.47Å
1058	L	78.2	Confident	74.5	Confident	87 Å²	87	103 Å²	103	46%	0.455	54%	0.535	S	S	.	.	H	α-helix	trans	-64	-50.1	173.6	-68.4	174.9	0	0	0	111.4	H1054 H1055 L1060 N1061 E1062	H1054-L1058 WeakPolarHBondContact O-CG 3.26Å; H1054-L1058 PolarHBondContact O-N 2.99Å; H1055-L1058 PolarHBondContact O-N 3.33Å; L1058-L1060 VanDerWaalsContact C-N 3.31Å; L1058-L1060 PolarHBondContact O-N 3.24Å; L1058-N1061 WeakPolarHBondContact O-CB 3.35Å; L1058-N1061 PolarHBondContact O-N 3.02Å; L1058-E1062 PolarHBondContact O-N 2.76Å
1059	A	73	Confident	73.9	Confident	45 Å²	45	100.4 Å²	100.4	37%	0.372	53%	0.531	S	S	.	.	H	α-helix	trans	-59.9	-38.5	178.6	0	0	0	0	0	112.7	H1055 L1056 N1061 E1062 V1063	H1055-A1059 PolarHBondContact O-N 3.26Å; L1056-A1059 PolarHBondContact O-N 3.09Å; A1059-N1061 VanDerWaalsContact C-N 3.35Å; A1059-N1061 PolarHBondContact O-N 2.98Å; A1059-E1062 PolarHBondContact O-N 3.42Å; A1059-V1063 WeakPolarHBondContact O-CG2 3.36Å; A1059-V1063 PolarHBondContact O-N 3.48Å
1060	L	73	Confident	73.5	Confident	97 Å²	97	103.8 Å²	103.8	51%	0.508	54%	0.537	S	S	.	.	H	α-helix	trans	-62	-39.7	173.6	-94.2	162.9	0	0	0	112.7	L1056 L1058 Q1064	L1056-L1060 HydrophobicContact CG-CD1 4.4Å; L1056-L1060 WeakPolarHBondContact O-CB 3.36Å; L1056-L1060 PolarHBondContact O-N 3.06Å; L1058-L1060 VanDerWaalsContact C-N 3.31Å; L1058-L1060 PolarHBondContact O-N 3.24Å; L1060-Q1064 WeakPolarHBondContact O-CG 3.27Å; L1060-Q1064 PolarHBondContact O-N 2.92Å
1061	N	73.8	Confident	72.8	Confident	105 Å²	105	103.3 Å²	103.3	56%	0.561	53%	0.533	S	S	*	.	H	α-helix	trans	-67.9	-40.9	176.1	-76	-45.5	0	0	0	111.9	G1057 L1058 A1059 Q1064 A1065	G1057-N1061 PolarHBondContact O-N 3.01Å; G1057-N1061 PolarHBondContact O-ND2 3.47Å; L1058-N1061 WeakPolarHBondContact O-CB 3.35Å; L1058-N1061 PolarHBondContact O-N 3.02Å; A1059-N1061 VanDerWaalsContact C-N 3.35Å; A1059-N1061 PolarHBondContact O-N 2.98Å; N1061-Q1064 PolarHBondContact O-N 3.33Å; N1061-A1065 WeakPolarHBondContact O-CB 3.48Å; N1061-A1065 PolarHBondContact O-N 2.93Å
1062	E	74.9	Confident	71.8	Confident	146 Å²	146	104 Å²	104	68%	0.682	54%	0.537	S	S	*	.	H	α-helix	trans	-62.4	-44.2	174.6	-69.2	-168.8	146	0	0	112.1	L1058 A1059 Q1064 A1065 A1066	L1058-E1062 PolarHBondContact O-N 2.76Å; A1059-E1062 PolarHBondContact O-N 3.42Å; E1062-Q1064 VanDerWaalsContact C-N 3.32Å; E1062-Q1064 PolarHBondContact O-N 2.97Å; E1062-A1065 PolarHBondContact O-N 2.85Å; E1062-A1065 VanDerWaalsContact O-N 3.15Å; E1062-A1066 WeakPolarHBondContact O-CB 3.33Å; E1062-A1066 PolarHBondContact O-N 3.47Å
1063	V	72.3	Confident	71	Confident	99 Å²	99	107.6 Å²	107.6	60%	0.6	54%	0.542	S	S	*	.	H	α-helix	trans	-61.8	-38.8	175.6	170.3	0	0	0	0	111.6	A1059 K1067	A1059-V1063 WeakPolarHBondContact O-CG2 3.36Å; A1059-V1063 PolarHBondContact O-N 3.48Å; V1063-K1067 VanDerWaalsContact O-CB 3.31Å; V1063-K1067 WeakPolarHBondContact O-CB 3.33Å; V1063-K1067 PolarHBondContact O-N 3.19Å
1064	Q	67.1	Low	70.5	Confident	110 Å²	110	104 Å²	104	51%	0.514	53%	0.529	S	S	.	.	H	α-helix	trans	-66.9	-39.4	173.1	-73.7	-166.4	25.8	0	0	112.9	L1060 N1061 E1062 K1067 K1068	L1060-Q1064 WeakPolarHBondContact O-CG 3.27Å; L1060-Q1064 PolarHBondContact O-N 2.92Å; N1061-Q1064 PolarHBondContact O-N 3.33Å; E1062-Q1064 VanDerWaalsContact C-N 3.32Å; E1062-Q1064 PolarHBondContact O-N 2.97Å; Q1064-K1067 PolarHBondContact O-N 2.93Å; Q1064-K1068 WeakPolarHBondContact O-CG 3.4Å; Q1064-K1068 PolarHBondContact O-N 2.89Å
1065	A	69.8	Low	69.3	Low	52 Å²	52	102.8 Å²	102.8	43%	0.43	53%	0.526	S	S	.	.	H	α-helix	trans	-66.4	-43.9	177	0	0	0	0	0	111.9	N1061 E1062 K1067 K1068 T1069	N1061-A1065 WeakPolarHBondContact O-CB 3.48Å; N1061-A1065 PolarHBondContact O-N 2.93Å; E1062-A1065 PolarHBondContact O-N 2.85Å; E1062-A1065 VanDerWaalsContact O-N 3.15Å; A1065-K1067 PolarHBondContact O-N 2.65Å; A1065-K1068 PolarHBondContact O-N 3.23Å; A1065-T1069 WeakPolarHBondContact O-CB 3.38Å; A1065-T1069 PolarHBondContact O-N 3.5Å; A1065-T1069 PolarHBondContact O-OG1 3.21Å
1066	A	67.4	Low	68.1	Low	61 Å²	61	101.4 Å²	101.4	50%	0.504	53%	0.529	S	S	.	.	H	α-helix	trans	-59.9	-44.8	173.7	0	0	0	0	0	111.3	E1062 K1068 T1069 W1070	E1062-A1066 WeakPolarHBondContact O-CB 3.33Å; E1062-A1066 PolarHBondContact O-N 3.47Å; A1066-K1068 PolarHBondContact O-N 2.91Å; A1066-T1069 PolarHBondContact O-N 3.46Å; A1066-W1070 WeakPolarHBondContact O-CB 3.37Å; A1066-W1070 PolarHBondContact O-N 3.22Å
1067	K	66.1	Low	67.2	Low	157 Å²	157	99.5 Å²	99.5	68%	0.683	52%	0.524	S	S	*	.	H	α-helix	trans	-62.7	-41.4	178.6	-168.9	171.1	-175.9	175	0	112.8	V1063 Q1064 A1065 F1071	V1063-K1067 VanDerWaalsContact O-CB 3.31Å; V1063-K1067 WeakPolarHBondContact O-CB 3.33Å; V1063-K1067 PolarHBondContact O-N 3.19Å; Q1064-K1067 PolarHBondContact O-N 2.93Å; A1065-K1067 PolarHBondContact O-N 2.65Å; K1067-F1071 WeakPolarHBondContact O-CB 3.39Å; K1067-F1071 PolarHBondContact O-N 3.22Å; K1067-F1071 VanDerWaalsContact O-N 3.07Å
1068	K	65.1	Low	66.1	Low	142 Å²	142	102.7 Å²	102.7	62%	0.617	53%	0.533	S	S	*	.	H	α-helix	trans	-63.9	-43.6	173	-73.2	176.4	-178.1	173.6	0	111.8	Q1064 A1065 A1066 F1071 N1072	Q1064-K1068 WeakPolarHBondContact O-CG 3.4Å; Q1064-K1068 PolarHBondContact O-N 2.89Å; A1065-K1068 PolarHBondContact O-N 3.23Å; A1066-K1068 PolarHBondContact O-N 2.91Å; K1068-F1071 PolarHBondContact O-N 3.26Å; K1068-N1072 WeakPolarHBondContact O-CB 3.48Å; K1068-N1072 PolarHBondContact O-N 3.13Å
1069	T	68.9	Low	64.8	Low	82 Å²	82	106.4 Å²	106.4	50%	0.503	55%	0.546	S	S	.	.	H	α-helix	trans	-64.6	-42.5	179.8	-56.5	0	0	0	0	112.1	A1065 A1066 R1073	A1065-T1069 WeakPolarHBondContact O-CB 3.38Å; A1065-T1069 PolarHBondContact O-N 3.5Å; A1065-T1069 PolarHBondContact O-OG1 3.21Å; A1066-T1069 PolarHBondContact O-N 3.46Å; T1069-R1073 PolarHBondContact O-N 3.46Å
1070	W	69.4	Low	63.9	Low	168 Å²	168	108.6 Å²	108.6	64%	0.636	56%	0.555	S	S	*	*	H	α-helix	trans	-62.2	-49.6	174.4	-178.7	86.5	0	0	0	111.6	A1066 N1072 R1073 T1074	A1066-W1070 WeakPolarHBondContact O-CB 3.37Å; A1066-W1070 PolarHBondContact O-N 3.22Å; W1070-N1072 VanDerWaalsContact C-N 3.31Å; W1070-N1072 PolarHBondContact O-N 3Å; W1070-R1073 PolarHBondContact O-N 3.46Å; W1070-R1073 VanDerWaalsContact O-N 3.12Å; W1070-T1074 PolarHBondContact O-N 2.96Å; W1070-T1074 PolarHBondContact O-OG1 2.99Å
1071	F	62.9	Low	62.9	Low	124 Å²	124	108.8 Å²	108.8	54%	0.544	56%	0.56	S	S	.	*	H	α-helix	trans	-60.2	-40.7	-179.1	-159.9	-100.4	0	0	0	112.3	K1067 K1068 T1074 L1075	K1067-F1071 WeakPolarHBondContact O-CB 3.39Å; K1067-F1071 PolarHBondContact O-N 3.22Å; K1067-F1071 VanDerWaalsContact O-N 3.07Å; K1068-F1071 PolarHBondContact O-N 3.26Å; F1071-T1074 PolarHBondContact O-N 3.16Å; F1071-L1075 HydrophobicContact CD1-CD1 3.74Å; F1071-L1075 HydrophobicContact CE1-CD1 3.62Å; F1071-L1075 HydrophobicContact CE1-CG 4.45Å; F1071-L1075 WeakPolarHBondContact O-CB 3.31Å; F1071-L1075 PolarHBondContact O-N 3Å
1072	N	59.5	Low	61.7	Low	101 Å²	101	108.7 Å²	108.7	54%	0.54	56%	0.563	S	S	.	*	H	α-helix	trans	-65.4	-43.5	174.3	-73.7	-9.5	0	0	0	112.3	K1068 W1070 T1074 L1075 S1076	K1068-N1072 WeakPolarHBondContact O-CB 3.48Å; K1068-N1072 PolarHBondContact O-N 3.13Å; W1070-N1072 VanDerWaalsContact C-N 3.31Å; W1070-N1072 PolarHBondContact O-N 3Å; N1072-T1074 PolarHBondContact O-N 2.95Å; N1072-L1075 PolarHBondContact O-N 3.15Å; N1072-S1076 PolarHBondContact O-N 3.45Å; N1072-S1076 PolarHBondContact O-OG 3.15Å
1073	R	63.3	Low	60.1	Low	194 Å²	194	104.6 Å²	104.6	73%	0.732	56%	0.56	S	S	*	*	H	α-helix	trans	-60.9	-43	175.4	-92.2	-176.5	164.3	168.9	-4.2	112.2	T1069 W1070 S1076 S1077	T1069-R1073 PolarHBondContact O-N 3.46Å; W1070-R1073 PolarHBondContact O-N 3.46Å; W1070-R1073 VanDerWaalsContact O-N 3.12Å; R1073-S1076 PolarHBondContact O-N 3.27Å; R1073-S1077 WeakPolarHBondContact O-CB 3.37Å; R1073-S1077 PolarHBondContact O-N 3.27Å
1074	T	64.6	Low	58.9	Low	53 Å²	53	105.4 Å²	105.4	33%	0.325	57%	0.565	S	S	.	*	H	α-helix	trans	-65.5	-42	177.9	-57.3	0	0	0	0	111.7	W1070 F1071 N1072 S1077 I1078	W1070-T1074 PolarHBondContact O-N 2.96Å; W1070-T1074 PolarHBondContact O-OG1 2.99Å; F1071-T1074 PolarHBondContact O-N 3.16Å; N1072-T1074 PolarHBondContact O-N 2.95Å; T1074-S1077 PolarHBondContact O-N 2.91Å; T1074-I1078 HydrophobicContact CG2-CD1 4.04Å; T1074-I1078 WeakPolarHBondContact O-CG1 3.5Å; T1074-I1078 PolarHBondContact O-N 3.19Å
1075	L	55.8	Low	57.7	Low	89 Å²	89	109 Å²	109	47%	0.466	58%	0.582	S	S	.	*	H	α-helix	trans	-63.2	-40.5	173.4	-83.8	168.4	0	0	0	113.3	F1071 N1072 K1079	F1071-L1075 HydrophobicContact CD1-CD1 3.74Å; F1071-L1075 HydrophobicContact CE1-CD1 3.62Å; F1071-L1075 HydrophobicContact CE1-CG 4.45Å; F1071-L1075 WeakPolarHBondContact O-CB 3.31Å; F1071-L1075 PolarHBondContact O-N 3Å; N1072-L1075 PolarHBondContact O-N 3.15Å; L1075-K1079 PolarHBondContact O-N 3.32Å; L1075-K1079 VanDerWaalsContact O-N 3.12Å
1076	S	52.4	Low	56.5	Low	79 Å²	79	110 Å²	110	55%	0.552	60%	0.598	S	S	*	*	H	α-helix	trans	-62.2	-45.4	172.9	-68.4	0	0	0	0	111.6	N1072 R1073 I1078 K1079 T1080	N1072-S1076 PolarHBondContact O-N 3.45Å; N1072-S1076 PolarHBondContact O-OG 3.15Å; R1073-S1076 PolarHBondContact O-N 3.27Å; S1076-I1078 PolarHBondContact O-N 3.42Å; S1076-K1079 PolarHBondContact O-N 2.97Å; S1076-T1080 PolarHBondContact O-N 3.49Å; S1076-T1080 PolarHBondContact O-OG1 2.87Å
1077	S	55.9	Low	55.1	Low	68 Å²	68	117.1 Å²	117.1	48%	0.476	62%	0.618	S	S	.	*	H	α-helix	trans	-63.1	-40.9	-179.3	-160.2	0	0	0	0	112.3	R1073 T1074 T1080 V1081	R1073-S1077 WeakPolarHBondContact O-CB 3.37Å; R1073-S1077 PolarHBondContact O-N 3.27Å; T1074-S1077 PolarHBondContact O-N 2.91Å; S1077-T1080 WeakPolarHBondContact CA-OG1 3.3Å; S1077-T1080 PolarHBondContact O-N 3.29Å; S1077-T1080 PolarHBondContact O-OG1 3.42Å; S1077-V1081 WeakPolarHBondContact O-CG2 3.45Å; S1077-V1081 PolarHBondContact O-N 3.22Å; S1077-V1081 VanDerWaalsContact O-N 3.15Å
1078	I	55	Low	53.9	Low	97 Å²	97	118.6 Å²	118.6	50%	0.497	63%	0.627	S	S	.	*	H	α-helix	trans	-63.6	-43	174.9	-69.2	164.8	0	0	0	110.5	T1074 S1076 T1080 V1081 T1082	T1074-I1078 HydrophobicContact CG2-CD1 4.04Å; T1074-I1078 WeakPolarHBondContact O-CG1 3.5Å; T1074-I1078 PolarHBondContact O-N 3.19Å; S1076-I1078 PolarHBondContact O-N 3.42Å; I1078-T1080 VanDerWaalsContact C-N 3.34Å; I1078-T1080 PolarHBondContact O-N 2.97Å; I1078-V1081 PolarHBondContact O-N 3.39Å; I1078-T1082 PolarHBondContact O-N 2.8Å; I1078-T1082 PolarHBondContact O-OG1 2.99Å
1079	K	51.4	Low	52.5	Low	165 Å²	165	118.5 Å²	118.5	72%	0.717	64%	0.639	S	S	*	*	H	α-helix	trans	-63.5	-33.9	175.7	-91	-169.3	169.3	-171	0	114	L1075 S1076 G1083	L1075-K1079 PolarHBondContact O-N 3.32Å; L1075-K1079 VanDerWaalsContact O-N 3.12Å; S1076-K1079 PolarHBondContact O-N 2.97Å; K1079-G1083 PolarHBondContact O-N 2.95Å; K1079-G1083 VanDerWaalsContact O-N 3.11Å
1080	T	53.1	Low	50.9	Low	91 Å²	91	125.2 Å²	125.2	56%	0.558	68%	0.679	S	S	*	*	H	α-helix	trans	-69.8	-36.4	173.9	37.3	0	0	0	0	112.3	S1076 S1077 I1078 G1083 T1084	S1076-T1080 PolarHBondContact O-N 3.49Å; S1076-T1080 PolarHBondContact O-OG1 2.87Å; S1077-T1080 WeakPolarHBondContact CA-OG1 3.3Å; S1077-T1080 PolarHBondContact O-N 3.29Å; S1077-T1080 PolarHBondContact O-OG1 3.42Å; I1078-T1080 VanDerWaalsContact C-N 3.34Å; I1078-T1080 PolarHBondContact O-N 2.97Å; T1080-G1083 PolarHBondContact O-N 2.9Å; T1080-T1084 PolarHBondContact O-OG1 2.83Å
1081	V	51.6	Low	50	Low	102 Å²	102	123.1 Å²	123.1	62%	0.618	68%	0.682	S	S	*	*	H	α-helix	trans	-72.7	-37.7	178.7	173.2	0	0	0	0	112	S1077 I1078 G1083 T1084	S1077-V1081 WeakPolarHBondContact O-CG2 3.45Å; S1077-V1081 PolarHBondContact O-N 3.22Å; S1077-V1081 VanDerWaalsContact O-N 3.15Å; I1078-V1081 PolarHBondContact O-N 3.39Å; V1081-G1083 VanDerWaalsContact C-N 3.32Å; V1081-T1084 PolarHBondContact O-OG1 3.4Å
1082	T	48.7	Very low	49.3	Very low	103 Å²	103	123 Å²	123	63%	0.632	69%	0.689	S	S	*	*	H	α-helix	trans	-80.7	-10.9	175.6	57	0	0	0	0	114	I1078	I1078-T1082 PolarHBondContact O-N 2.8Å; I1078-T1082 PolarHBondContact O-OG1 2.99Å
1083	G	41.8	Very low	48.8	Very low	60 Å²	60	124.2 Å²	124.2	62%	0.619	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-11.3	175.8	0	0	0	0	0	115	K1079 T1080 V1081	K1079-G1083 PolarHBondContact O-N 2.95Å; K1079-G1083 VanDerWaalsContact O-N 3.11Å; T1080-G1083 PolarHBondContact O-N 2.9Å; V1081-G1083 VanDerWaalsContact C-N 3.32Å
1084	T	46.1	Very low	47.9	Very low	115 Å²	115	120.1 Å²	120.1	71%	0.706	70%	0.695	S	S	*	*	S	Bend	trans	-105	4.9	-171.5	46.5	0	0	0	0	115.4	T1080 V1081	T1080-T1084 PolarHBondContact O-OG1 2.83Å; V1081-T1084 PolarHBondContact O-OG1 3.4Å
1085	Q	42.9	Very low	46.9	Very low	185 Å²	185	124.3 Å²	124.3	86%	0.864	72%	0.718	S	S	*	*	S	Bend	trans	-121.2	93.1	166.9	-78.5	-173	-29.9	0	0	109.2
1086	G	43.7	Very low	46.3	Very low	75 Å²	75	126.7 Å²	126.7	77%	0.773	74%	0.735	S	S	*	*	S	Bend	trans	176.8	25.4	-175.3	0	0	0	0	0	115.9
1087	K	39	Very low	45.9	Very low	209 Å²	209	130.1 Å²	130.1	91%	0.909	75%	0.748	S	S	*	*			trans	-164	74.2	168.9	-122.7	177.2	-173.7	-172.4	0	114.5
1088	E	39.9	Very low	45.1	Very low	189 Å²	189	134.8 Å²	134.8	88%	0.883	77%	0.769	S	S	*	*	S	Bend	trans	-155.9	150.8	150.6	-116	163.6	-148.5	0	0	108
1089	T	37.6	Very low	44.3	Very low	140 Å²	140	138 Å²	138	86%	0.859	79%	0.792	S	S	*	*			trans	60.2	69.5	-174	58.5	0	0	0	0	117.5
1090	T	35.3	Very low	43.6	Very low	222 Å²	222	135.5 Å²	135.5	100%	1.362	80%	0.798	S	S	*	*				-158	0	118.4	-4.4	0	0	0	0	110

Retrieved 1,090 of 1,090 residues in 234.7 ms (Link to these results)

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