G4V9Z8_SCHMA Loading...

Putative leucine rich repeat-containing

AlphaFold DB , UniProt , Accession G4V9Z8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 894 aa.

						>G4V9Z8_SCHMA|G4V9Z8
MTNNIDFVSAIHCGHSEAKLTRSNSDAPFKSIRRVRFPEDDKLISDYLEPFRLIPDNCSSEELQAAYFSSCFEHRITPINFLLEQIKGIDLSICNERYSRLSLRGIRLNRFHIESMEAIFQRAHFRVIDLENTFLDEQSASSLFDMLLHYESCTDLSISLNLNKTLPSQAWSRCVNFMRKSSALRRFTLSHTPLRLENFHGLNFYGLCLERLNFIDCNLTGQSLYGLMQWLYILLSSTSLYPPTRDRSYNSSRGHKFRGWRHRRHTYTTSALLLSSNTSTTNTTNNTNTTTNNNTKHSIWELRLGLMNNKLTSSDVEAILPLIRHHLFIPNISGSETVKFEGHKNNNNSNSNNDTNESSSSDALVNNSSHTKSTQLKKSNSLSSSLCDFLPVGGIGYLLELNLSHNNIGDDGLGILCTGLLQSYRNRLRERFSTLDDQEVLKLTAMSSPPSTEKKSDSNSNPCCTPPIPMKICSLEHLYLVDNNLGIDGMQSLAIVLMQTPKSLISLVGGLIILDLSNNVNIGDKGVEVLCEGLIRNYSLKELYLRSINMSFSGIFALSSFLSESKCLKYLDIRNNNLDIASIMALSKTLFINRTLTSLVSDAHRWANSQPDLSDKDKDLIKSLIESIDSNLRRNRLETELVDNINNNVSNNNCDTITPTGVVNEENSLGQSEFMNISSVMQCNDNSLTNCSIMNGEMSLDITNGTSDTSVIRSYECNNNNDCDPDNNNSNADLQLDSLLKTTTTQLDIDSNVEILGNFNCTTISTNPVHETSTAYLSDKESINKDDKFINKNENYAIMEKRSKEEEKTTIMVVEQQQPLLQHISGSFMSIGNLSSCSSNLFENVNIPSTKDDKSLNYDTKSNPIQSSVNVFDKSNSLNTIEQNNHINNDAISN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35	Very low	29.4	Very low	246 Å²	246	153.1 Å²	153.1	100%	1.212	85%	0.846	S	S	*	*				0	102.4	0	-78.2	178.2	171.5	0	0	108.2
2	T	27.8	Very low	29.6	Very low	133 Å²	133	156.1 Å²	156.1	82%	0.816	85%	0.848	S	S	*	*			trans	-68.1	123.4	171.8	42.8	0	0	0	0	109.4
3	N	34	Very low	29.6	Very low	148 Å²	148	153 Å²	153	79%	0.791	84%	0.843	S	S	*	*			trans	-156.9	81.9	150.7	-91.3	-19.2	0	0	0	107.9
4	N	27	Very low	29.7	Very low	164 Å²	164	147.2 Å²	147.2	88%	0.877	84%	0.836	S	S	*	*			trans	-69.5	118.3	150.6	-83.1	-27.6	0	0	0	106.5
5	I	34.7	Very low	29.7	Very low	135 Å²	135	147.7 Å²	147.7	69%	0.692	83%	0.828	S	S	*	*			trans	-124.1	119.5	162.4	-69	176.2	0	0	0	107.5	F7	I5-F7 PolarHBondContact O-N 3.15Å
6	D	27.7	Very low	29.9	Very low	151 Å²	151	145.8 Å²	145.8	81%	0.807	83%	0.827	S	S	*	*			trans	-48.9	120.6	174.5	-62.8	-60.2	0	0	0	112.6
7	F	28.5	Very low	29.8	Very low	207 Å²	207	146.8 Å²	146.8	91%	0.908	82%	0.823	S	S	*	*			trans	-105.7	57.1	164.6	-112.1	-81.5	0	0	0	110.2	I5	I5-F7 PolarHBondContact O-N 3.15Å
8	V	26.6	Very low	30	Very low	117 Å²	117	143.8 Å²	143.8	71%	0.709	82%	0.82	S	S	*	*			trans	-141	84.1	164.2	-174.2	0	0	0	0	108.8
9	S	26.6	Very low	29.9	Very low	121 Å²	121	146.9 Å²	146.9	85%	0.846	82%	0.824	S	S	*	*			trans	160.4	81.5	148.7	50.6	0	0	0	0	112.2
10	A	27.6	Very low	30	Very low	95 Å²	95	148 Å²	148	79%	0.785	83%	0.826	S	S	*	*			trans	-162.8	71	161.6	0	0	0	0	0	112
11	I	28.1	Very low	30.2	Very low	167 Å²	167	146.9 Å²	146.9	86%	0.856	82%	0.824	S	S	*	*			trans	-117.9	76.5	151.2	-56.3	-180	0	0	0	106.4
12	H	31.3	Very low	29.9	Very low	189 Å²	189	146.8 Å²	146.8	88%	0.875	81%	0.81	S	S	*	*			trans	-107.5	105.7	159.2	-124.8	-2.4	0	0	0	106.6	G14	H12-G14 PolarHBondContact O-N 3.42Å
13	C	30.6	Very low	30.2	Very low	116 Å²	116	146 Å²	146	78%	0.784	81%	0.81	S	S	*	*			trans	-63.1	103.2	171.5	-69.5	0	0	0	0	109.4	H15	C13-H15 PolarHBondContact O-N 2.98Å
14	G	30.4	Very low	29.9	Very low	72 Å²	72	146.5 Å²	146.5	74%	0.742	81%	0.812	S	S	*	*			trans	-69.3	121.7	165.9	0	0	0	0	0	110.7	H12	H12-G14 PolarHBondContact O-N 3.42Å
15	H	29.9	Very low	30.2	Very low	154 Å²	154	143.4 Å²	143.4	71%	0.713	80%	0.804	S	S	*	*			trans	-67.6	121	159.7	-94	32.1	0	0	0	109.3	C13	C13-H15 PolarHBondContact O-N 2.98Å
16	S	32.8	Very low	30.2	Very low	118 Å²	118	144.4 Å²	144.4	83%	0.825	81%	0.811	S	S	*	*			trans	-96.5	101.5	159.3	45.4	0	0	0	0	109	A18	S16-A18 PolarHBondContact O-N 3.37Å
17	E	28.4	Very low	30.7	Very low	162 Å²	162	141.7 Å²	141.7	76%	0.757	81%	0.809	S	S	*	*			trans	-73.8	101.8	165.7	-74.5	-173.8	152.6	0	0	109.2
18	A	33.3	Very low	31.2	Very low	93 Å²	93	137.1 Å²	137.1	77%	0.769	80%	0.8	S	S	*	*			trans	-90.3	106.4	162.8	0	0	0	0	0	109.2	S16 L20	S16-A18 PolarHBondContact O-N 3.37Å; A18-L20 PolarHBondContact O-N 3Å
19	K	27.7	Very low	31.8	Very low	204 Å²	204	141.6 Å²	141.6	89%	0.887	81%	0.811	S	S	*	*			trans	-55.8	119.8	164.3	-83.1	170.3	173.1	171.5	0	109.6
20	L	31.7	Very low	32.3	Very low	167 Å²	167	146 Å²	146	87%	0.874	81%	0.814	S	S	*	*			trans	-126.9	132.2	156.9	-101.4	150.6	0	0	0	109.3	A18	A18-L20 PolarHBondContact O-N 3Å
21	T	35.1	Very low	33.1	Very low	126 Å²	126	146.2 Å²	146.2	77%	0.773	81%	0.81	S	S	*	*			trans	-74.4	142.7	-160.7	42.5	0	0	0	0	113.3
22	R	27.2	Very low	33.8	Very low	243 Å²	243	145.5 Å²	145.5	92%	0.917	81%	0.806	S	S	*	*			trans	-57.2	131.5	164.1	-84.4	173.7	161.1	171.3	-6.7	111
23	S	34.6	Very low	34.1	Very low	118 Å²	118	147.4 Å²	147.4	83%	0.825	81%	0.806	S	S	*	*			trans	-130	134.1	145.6	53.5	0	0	0	0	109
24	N	29	Very low	34.7	Very low	157 Å²	157	152.1 Å²	152.1	84%	0.84	81%	0.807	S	S	*	*			trans	-78.5	132.1	179.5	-68.5	-37.4	0	0	0	110.1
25	S	31.9	Very low	35.4	Very low	100 Å²	100	154 Å²	154	70%	0.699	80%	0.804	S	S	*	*			trans	-174	141.8	132.1	56.4	0	0	0	0	111
26	D	35.9	Very low	36	Very low	156 Å²	156	157.4 Å²	157.4	83%	0.834	81%	0.811	S	S	*	*			trans	81.3	91.8	156.7	-48.1	-30.9	0	0	0	119.9
27	A	36.6	Very low	36.8	Very low	94 Å²	94	160 Å²	160	78%	0.777	81%	0.807	S	S	*	*			trans	-99.4	144.7	138	0	0	0	0	0	106.6
28	P	40	Very low	37.7	Very low	110 Å²	110	156 Å²	156	71%	0.714	80%	0.795	S	S	*	*				-154.4	146.7	58.6	37.2	-15.9	0	0	0	116.9
29	F	38	Very low	38.4	Very low	212 Å²	212	159.8 Å²	159.8	93%	0.93	80%	0.797	S	S	*	*			trans	-161.2	106.4	137.5	-97.7	-71.1	0	0	0	108.9	S31	F29-S31 PolarHBondContact O-N 3.13Å; F29-S31 VanDerWaalsContact O-N 3.11Å
30	K	38.6	Very low	39.5	Very low	213 Å²	213	156.9 Å²	156.9	93%	0.926	79%	0.791	S	S	*	*			trans	-71.9	96.4	171.3	-111.3	178	176.9	177.1	0	108.2	I32	K30-I32 PolarHBondContact O-N 2.93Å
31	S	43.6	Very low	40.5	Very low	99 Å²	99	156.6 Å²	156.6	69%	0.692	79%	0.79	S	S	*	*			trans	-76.4	117.7	161.7	59.2	0	0	0	0	108.7	F29 R33	F29-S31 PolarHBondContact O-N 3.13Å; F29-S31 VanDerWaalsContact O-N 3.11Å; S31-R33 PolarHBondContact O-N 3.04Å
32	I	42.8	Very low	41.5	Very low	152 Å²	152	159.4 Å²	159.4	78%	0.779	79%	0.792	S	S	*	*			trans	-64.7	101.3	170	-65.4	169.6	0	0	0	106.6	K30 R34	K30-I32 PolarHBondContact O-N 2.93Å; I32-R34 HydrophobicContact CG2-CG 4.37Å; I32-R34 PolarHBondContact O-N 3.45Å
33	R	37.1	Very low	42.7	Very low	229 Å²	229	152.6 Å²	152.6	86%	0.864	77%	0.773	S	S	*	*			trans	-69.1	98.8	170	-72.7	-173.8	-175.9	-171.5	0.6	108.5	S31	S31-R33 PolarHBondContact O-N 3.04Å
34	R	45.1	Very low	43.1	Very low	216 Å²	216	154.3 Å²	154.3	82%	0.815	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-76.2	120.8	163.6	-79.1	-179.9	177.7	168.2	-1	108.4	I32	I32-R34 HydrophobicContact CG2-CG 4.37Å; I32-R34 PolarHBondContact O-N 3.45Å
35	V	43.2	Very low	43.9	Very low	110 Å²	110	152.1 Å²	152.1	67%	0.667	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-93.5	116.5	166.4	179.4	0	0	0	0	106.5	F37	V35-F37 HydrophobicContact CG1-CD2 4.27Å; V35-F37 HydrophobicContact CG1-CE1 4.48Å; V35-F37 HydrophobicContact CG1-CE2 3.84Å; V35-F37 HydrophobicContact CG1-CZ 3.96Å
36	R	43.7	Very low	44.3	Very low	227 Å²	227	154.4 Å²	154.4	86%	0.857	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-100	122.9	164.9	-81.4	-173.8	174.4	-179.1	-2.5	107.3
37	F	50.2	Low	45.1	Very low	172 Å²	172	154.3 Å²	154.3	75%	0.754	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-81.5	139.7	163.3	-65.8	-83.7	0	0	0	108	V35	V35-F37 HydrophobicContact CG1-CD2 4.27Å; V35-F37 HydrophobicContact CG1-CE1 4.48Å; V35-F37 HydrophobicContact CG1-CE2 3.84Å; V35-F37 HydrophobicContact CG1-CZ 3.96Å
38	P	45.6	Very low	45.6	Very low	78 Å²	78	158 Å²	158	51%	0.506	77%	0.768	S	S	.	*	P	Polyproline II helix	trans	-57.3	150.1	166.4	-18	29.6	0	0	0	110.6	L43	P38-L43 HydrophobicContact CB-CD1 4.19Å; P38-L43 HydrophobicContact CG-CD1 4.19Å
39	E	49.4	Very low	45.9	Very low	172 Å²	172	158 Å²	158	80%	0.804	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-55.7	138.6	172.5	-67.5	171.6	178.3	0	0	109.9	D41 K42	E39-D41 PolarHBondContact O-N 2.95Å; E39-K42 PolarHBondContact O-N 3.41Å
40	D	50.2	Low	46.1	Very low	143 Å²	143	152.6 Å²	152.6	77%	0.765	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-56.3	-15.5	-164.6	-68	-41.3	0	0	0	114.6	K42	D40-K42 VanDerWaalsContact C-N 3.3Å; D40-K42 PolarHBondContact O-N 2.84Å
41	D	53.8	Low	46.4	Very low	161 Å²	161	148.6 Å²	148.6	86%	0.861	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-84.8	7.9	-178	-61.3	-21.8	0	0	0	114.6	E39	E39-D41 PolarHBondContact O-N 2.95Å
42	K	54.2	Low	46.6	Very low	185 Å²	185	152.2 Å²	152.2	80%	0.804	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-126.6	14.7	176.4	-69.5	-178.2	-179.2	174	0	114.4	E39 D40	E39-K42 PolarHBondContact O-N 3.41Å; D40-K42 VanDerWaalsContact C-N 3.3Å; D40-K42 PolarHBondContact O-N 2.84Å
43	L	52.2	Low	46.9	Very low	101 Å²	101	150.8 Å²	150.8	53%	0.529	72%	0.719	S	S	.	*			trans	-114.1	37.9	-170.1	-107.3	155	0	0	0	113.8	P38	P38-L43 HydrophobicContact CB-CD1 4.19Å; P38-L43 HydrophobicContact CG-CD1 4.19Å
44	I	45	Very low	47.7	Very low	154 Å²	154	144.9 Å²	144.9	79%	0.79	70%	0.703	S	S	*	*			trans	-139.9	90	160.2	-55.5	173.6	0	0	0	107.3	D46	I44-D46 PolarHBondContact O-N 3.29Å
45	S	44.6	Very low	48.2	Very low	111 Å²	111	135.5 Å²	135.5	78%	0.776	67%	0.671	S	S	*	*			trans	-88.8	96.3	162.1	62	0	0	0	0	106.7
46	D	41.5	Very low	48.7	Very low	148 Å²	148	133 Å²	133	79%	0.791	65%	0.653	S	S	*	*			trans	76.3	127.6	173.5	-51.2	-36.7	0	0	0	117.4	I44	I44-D46 PolarHBondContact O-N 3.29Å
47	Y	51.6	Low	49.4	Very low	154 Å²	154	126.8 Å²	126.8	60%	0.604	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-79.6	134.1	162.9	86.8	-71	0	0	0	108	E49	Y47-E49 HydrophobicContact CD2-CG 4.29Å; Y47-E49 HydrophobicContact CE1-CG 4.14Å; Y47-E49 HydrophobicContact CE2-CB 4.09Å; Y47-E49 HydrophobicContact CE2-CG 3.3Å; Y47-E49 PolarHBondContact O-N 2.94Å; Y47-E49 VanDerWaalsContact OH-CD 3.3Å; Y47-E49 WeakPolarHBondContact OH-CG 3.19Å; Y47-E49 PolarHBondContact OH-OE1 2.95Å
48	L	46.4	Very low	50.2	Low	172 Å²	172	118.9 Å²	118.9	90%	0.901	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-72.5	119.2	161.4	-99.6	125	0	0	0	107
49	E	46.9	Very low	51.8	Low	108 Å²	108	117.1 Å²	117.1	51%	0.505	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-52.1	132	172.2	-91.8	-179.4	178.2	0	0	110.4	Y47 F51 Q121	Y47-E49 HydrophobicContact CD2-CG 4.29Å; Y47-E49 HydrophobicContact CE1-CG 4.14Å; Y47-E49 HydrophobicContact CE2-CB 4.09Å; Y47-E49 HydrophobicContact CE2-CG 3.3Å; Y47-E49 PolarHBondContact O-N 2.94Å; Y47-E49 VanDerWaalsContact OH-CD 3.3Å; Y47-E49 WeakPolarHBondContact OH-CG 3.19Å; Y47-E49 PolarHBondContact OH-OE1 2.95Å; E49-F51 PolarHBondContact O-N 3.47Å; E49-Q121 PolarHBondContact OE2-NE2 2.86Å
50	P	42.9	Very low	53.5	Low	99 Å²	99	109.8 Å²	109.8	64%	0.643	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-62.6	130.6	173.6	24.3	-29.9	0	0	0	109.4	R52	P50-R52 PolarHBondContact O-N 3.18Å; P50-R52 VanDerWaalsContact O-N 3.09Å
51	F	44.3	Very low	55.3	Low	129 Å²	129	110.3 Å²	110.3	57%	0.566	56%	0.559	S	S	*	*			trans	-39.1	111.8	176.4	-83.5	-91.4	0	0	0	112.6	E49 H149	E49-F51 PolarHBondContact O-N 3.47Å; F51-H149 AromaticContact CE1-CE1 3.49Å; F51-H149 VanDerWaalsContact CE1-CE1 3.49Å; F51-H149 WeakPolarHBondContact CE1-CE1 3.24Å; F51-H149 AromaticContact CZ-CE1 3.94Å
52	R	48.4	Very low	56.8	Low	176 Å²	176	107.9 Å²	107.9	66%	0.664	54%	0.542	S	S	*	.			trans	-96.6	104.5	164.6	-68.5	-168.2	-176.4	175.4	5.3	108.7	P50 I54 D56	P50-R52 PolarHBondContact O-N 3.18Å; P50-R52 VanDerWaalsContact O-N 3.09Å; R52-I54 PolarHBondContact O-N 2.93Å; R52-D56 WeakPolarHBondContact CD-OD1 3.48Å; R52-D56 IonicContact CZ-OD1 2.82Å; R52-D56 IonicContact CZ-OD2 3.74Å; R52-D56 IonicContact NE-OD1 3.62Å; R52-D56 IonicContact NH1-OD1 2.77Å; R52-D56 PolarHBondContact NH1-OD1 3.28Å; R52-D56 IonicContact NH1-OD2 3.54Å; R52-D56 PolarHBondContact NH1-OD2 3.39Å
53	L	49.5	Very low	58.4	Low	121 Å²	121	99 Å²	99	63%	0.634	50%	0.504	S	S	*	.	S	Bend	trans	-74.5	-9.6	174.6	-86.3	155.1	0	0	0	113
54	I	52.5	Low	60.2	Low	105 Å²	105	96 Å²	96	54%	0.538	49%	0.487	S	S	.	.	S	Bend	trans	-117.5	123.2	-176.6	-54.1	170.8	0	0	0	105.2	R52 D56	R52-I54 PolarHBondContact O-N 2.93Å; I54-D56 PolarHBondContact O-N 3.4Å
55	P	55.3	Low	62.4	Low	20 Å²	20	91 Å²	91	13%	0.13	47%	0.468	C	S	.	.			trans	-53.7	134.4	173.8	17	-24.9	0	0	0	108.4	N57 R122	P55-N57 PolarHBondContact O-N 3.39Å; P55-R122 VanDerWaalsContact CB-C 3.5Å; P55-R122 WeakPolarHBondContact CB-O 3.24Å
56	D	55	Low	64.7	Low	56 Å²	56	86.6 Å²	86.6	30%	0.299	44%	0.439	S	S	.	.			trans	-57.7	115.7	169.6	-70.9	-25.8	0	0	0	106.7	R52 I54 C58	R52-D56 WeakPolarHBondContact CD-OD1 3.48Å; R52-D56 IonicContact CZ-OD1 2.82Å; R52-D56 IonicContact CZ-OD2 3.74Å; R52-D56 IonicContact NE-OD1 3.62Å; R52-D56 IonicContact NH1-OD1 2.77Å; R52-D56 PolarHBondContact NH1-OD1 3.28Å; R52-D56 IonicContact NH1-OD2 3.54Å; R52-D56 PolarHBondContact NH1-OD2 3.39Å; I54-D56 PolarHBondContact O-N 3.4Å; D56-C58 WeakPolarHBondContact O-CB 3.39Å; D56-C58 PolarHBondContact O-N 2.92Å
57	N	58.6	Low	67.1	Low	97 Å²	97	79.6 Å²	79.6	52%	0.519	40%	0.401	S	S	.	.			trans	-55.4	94.8	173.9	-73.9	-10.7	0	0	0	107.3	P55	P55-N57 PolarHBondContact O-N 3.39Å
58	C	67	Low	69.2	Low	6 Å²	6	76.7 Å²	76.7	4%	0.041	39%	0.392	C	S	.	.			trans	-116.7	138.9	-172.3	70.5	0	0	0	0	109.6	D56 E62 L91	D56-C58 WeakPolarHBondContact O-CB 3.39Å; D56-C58 PolarHBondContact O-N 2.92Å; C58-E62 VanDerWaalsContact CA-OE2 3.22Å; C58-E62 WeakPolarHBondContact CA-OE2 3.17Å; C58-E62 HydrophobicContact CB-CB 4.04Å; C58-E62 WeakPolarHBondContact CB-OE2 3.37Å; C58-L91 VanDerWaalsContact O-CB 3.31Å; C58-L91 WeakPolarHBondContact O-CB 3.23Å; C58-L91 WeakPolarHBondContact O-CD1 3.47Å; C58-L91 WeakPolarHBondContact SG-CD1 3.39Å
59	S	79.2	Confident	71.4	Confident	42 Å²	42	72.2 Å²	72.2	29%	0.294	38%	0.375	S	S	.	.			trans	-62.7	157.6	177.3	65.1	0	0	0	0	110.5	E61 E62 L63	S59-E61 PolarHBondContact O-N 3.16Å; S59-E61 VanDerWaalsContact O-N 3.1Å; S59-E62 PolarHBondContact N-OE2 3.39Å; S59-E62 PolarHBondContact O-N 3.42Å; S59-E62 VanDerWaalsContact O-N 3.07Å; S59-E62 VanDerWaalsContact OG-CG 3.27Å; S59-E62 WeakPolarHBondContact OG-CG 3.42Å; S59-E62 PolarHBondContact OG-N 3.43Å; S59-E62 VanDerWaalsContact OG-N 3.16Å; S59-E62 PolarHBondContact OG-OE2 3.23Å; S59-L63 PolarHBondContact O-N 3.28Å
60	S	85.2	Confident	73.7	Confident	18 Å²	18	67.6 Å²	67.6	13%	0.126	36%	0.355	C	S	.	.	H	α-helix	trans	-50.9	-36.3	172.2	-175.7	0	0	0	0	111.9	Q64 I86 K87 I89	S60-Q64 WeakPolarHBondContact O-CB 3.49Å; S60-Q64 VanDerWaalsContact O-CG 3.24Å; S60-Q64 WeakPolarHBondContact O-CG 3.34Å; S60-Q64 PolarHBondContact O-N 3.23Å; S60-Q64 PolarHBondContact O-NE2 2.94Å; S60-Q64 VanDerWaalsContact O-NE2 3.12Å; S60-Q64 PolarHBondContact OG-NE2 3.39Å; S60-I86 PolarHBondContact OG-O 2.97Å; S60-K87 WeakPolarHBondContact OG-CA 3.43Å; S60-K87 PolarHBondContact OG-O 3.05Å; S60-I89 VanDerWaalsContact CA-O 3.26Å; S60-I89 WeakPolarHBondContact CA-O 3.26Å; S60-I89 WeakPolarHBondContact CB-O 3.16Å; S60-I89 PolarHBondContact N-O 2.7Å
61	E	86.2	Confident	76.1	Confident	154 Å²	154	63 Å²	63	72%	0.72	33%	0.325	S	S	*	.	H	α-helix	trans	-69.7	-42.5	-179.4	-63.2	176.2	176.6	0	0	111.6	S59 Q64 A65	S59-E61 PolarHBondContact O-N 3.16Å; S59-E61 VanDerWaalsContact O-N 3.1Å; E61-Q64 PolarHBondContact O-N 3.44Å; E61-A65 VanDerWaalsContact O-CB 3.26Å; E61-A65 WeakPolarHBondContact O-CB 3.44Å; E61-A65 PolarHBondContact O-N 3.03Å
62	E	86.5	Confident	78.5	Confident	109 Å²	109	65.3 Å²	65.3	51%	0.509	34%	0.335	S	S	.	.	H	α-helix	trans	-65.1	-40.9	174.9	-74.6	168.2	166.9	0	0	111.8	C58 S59 A65 A66	C58-E62 VanDerWaalsContact CA-OE2 3.22Å; C58-E62 WeakPolarHBondContact CA-OE2 3.17Å; C58-E62 HydrophobicContact CB-CB 4.04Å; C58-E62 WeakPolarHBondContact CB-OE2 3.37Å; S59-E62 PolarHBondContact N-OE2 3.39Å; S59-E62 PolarHBondContact O-N 3.42Å; S59-E62 VanDerWaalsContact O-N 3.07Å; S59-E62 VanDerWaalsContact OG-CG 3.27Å; S59-E62 WeakPolarHBondContact OG-CG 3.42Å; S59-E62 PolarHBondContact OG-N 3.43Å; S59-E62 VanDerWaalsContact OG-N 3.16Å; S59-E62 PolarHBondContact OG-OE2 3.23Å; E62-A65 PolarHBondContact O-N 2.93Å; E62-A66 WeakPolarHBondContact O-CB 3.45Å; E62-A66 PolarHBondContact O-N 3.34Å
63	L	88.1	Confident	80.6	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.3	-43	177.2	-171.6	56.2	0	0	0	111.4	S59 A66 Y67 I86 I89 I119 R122 A123	S59-L63 PolarHBondContact O-N 3.28Å; L63-A66 PolarHBondContact O-N 3.13Å; L63-Y67 PolarHBondContact O-N 3.38Å; L63-I86 HydrophobicContact CB-CG2 4.07Å; L63-I86 HydrophobicContact CD2-CG2 3.63Å; L63-I86 HydrophobicContact CG-CG2 3.72Å; L63-I89 HydrophobicContact CD2-CG2 4.08Å; L63-I119 HydrophobicContact CD1-CB 4.48Å; L63-I119 HydrophobicContact CD1-CG1 4.44Å; L63-I119 HydrophobicContact CD1-CG2 4.4Å; L63-R122 HydrophobicContact CD1-CB 3.72Å; L63-A123 HydrophobicContact CD2-CB 4.02Å
64	Q	90.4	Very high	82.7	Confident	36 Å²	36	60.7 Å²	60.7	17%	0.168	32%	0.318	C	S	.	.	H	α-helix	trans	-61.7	-47.5	172.9	-75.8	172.8	78.1	0	0	111	S60 E61 A66 Y67 F68 L83 I86	S60-Q64 WeakPolarHBondContact O-CB 3.49Å; S60-Q64 VanDerWaalsContact O-CG 3.24Å; S60-Q64 WeakPolarHBondContact O-CG 3.34Å; S60-Q64 PolarHBondContact O-N 3.23Å; S60-Q64 PolarHBondContact O-NE2 2.94Å; S60-Q64 VanDerWaalsContact O-NE2 3.12Å; S60-Q64 PolarHBondContact OG-NE2 3.39Å; E61-Q64 PolarHBondContact O-N 3.44Å; Q64-A66 VanDerWaalsContact C-N 3.33Å; Q64-A66 PolarHBondContact O-N 2.94Å; Q64-Y67 PolarHBondContact O-N 3.31Å; Q64-F68 HydrophobicContact CB-CD2 4.39Å; Q64-F68 HydrophobicContact CB-CE2 4.42Å; Q64-F68 WeakPolarHBondContact O-CD2 3.45Å; Q64-F68 PolarHBondContact O-N 3.2Å; Q64-L83 HydrophobicContact CG-CD2 4.21Å; Q64-I86 HydrophobicContact CG-CG2 3.92Å
65	A	91.1	Very high	84.6	Confident	49 Å²	49	66.8 Å²	66.8	41%	0.405	33%	0.334	S	S	.	.	H	α-helix	trans	-61.7	-40.2	179.9	0	0	0	0	0	112.2	E61 E62 F68 S69	E61-A65 VanDerWaalsContact O-CB 3.26Å; E61-A65 WeakPolarHBondContact O-CB 3.44Å; E61-A65 PolarHBondContact O-N 3.03Å; E62-A65 PolarHBondContact O-N 2.93Å; A65-F68 PolarHBondContact O-N 3.32Å; A65-S69 WeakPolarHBondContact O-CB 3.11Å; A65-S69 PolarHBondContact O-N 3.16Å; A65-S69 PolarHBondContact O-OG 2.93Å
66	A	91	Very high	86.4	Confident	20 Å²	20	67.1 Å²	67.1	17%	0.165	33%	0.334	C	S	.	.	H	α-helix	trans	-63.2	-44.9	174.8	0	0	0	0	0	111.4	E62 L63 Q64 S69 S70	E62-A66 WeakPolarHBondContact O-CB 3.45Å; E62-A66 PolarHBondContact O-N 3.34Å; L63-A66 PolarHBondContact O-N 3.13Å; Q64-A66 VanDerWaalsContact C-N 3.33Å; Q64-A66 PolarHBondContact O-N 2.94Å; A66-S69 PolarHBondContact O-N 2.93Å; A66-S70 WeakPolarHBondContact O-CB 3.46Å; A66-S70 PolarHBondContact O-N 3.45Å
67	Y	93.9	Very high	88.2	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-64.1	-44.9	175.8	179.2	-118.1	0	0	0	112.1	L63 Q64 S69 S70 C71 P78 I79 L82 L83 M116 I119	L63-Y67 PolarHBondContact O-N 3.38Å; Q64-Y67 PolarHBondContact O-N 3.31Å; Y67-S69 VanDerWaalsContact C-N 3.33Å; Y67-S69 PolarHBondContact O-N 3.4Å; Y67-S70 PolarHBondContact O-N 2.96Å; Y67-C71 WeakPolarHBondContact CE2-SG 3.47Å; Y67-C71 PolarHBondContact O-N 3.48Å; Y67-C71 PolarHBondContact O-SG 3.34Å; Y67-C71 VanDerWaalsContact O-SG 3.32Å; Y67-P78 HydrophobicContact CE1-CB 4.05Å; Y67-I79 PolarHBondContact OH-N 3Å; Y67-L82 HydrophobicContact CE1-CD2 4Å; Y67-L82 HydrophobicContact CE1-CG 4.42Å; Y67-L82 HydrophobicContact CE2-CD2 3.89Å; Y67-L83 HydrophobicContact CD1-CD2 3.76Å; Y67-L83 HydrophobicContact CD1-CG 4.32Å; Y67-L83 HydrophobicContact CE1-CD2 4.23Å; Y67-L83 HydrophobicContact CE1-CG 4.29Å; Y67-M116 HydrophobicContact CE2-CG 4.32Å; Y67-I119 HydrophobicContact CD2-CD1 3.55Å; Y67-I119 HydrophobicContact CD2-CG1 4.06Å; Y67-I119 HydrophobicContact CE2-CD1 4.03Å; Y67-I119 HydrophobicContact CG-CD1 3.9Å; Y67-I119 HydrophobicContact CG-CG1 4.27Å
68	F	94.1	Very high	89.8	Confident	94 Å²	94	67 Å²	67	41%	0.412	34%	0.34	S	S	.	.	H	α-helix	trans	-58.7	-44	175.2	-85.3	-67.3	0	0	0	112.3	Q64 A65 S70 C71 F72 P78 L83	Q64-F68 HydrophobicContact CB-CD2 4.39Å; Q64-F68 HydrophobicContact CB-CE2 4.42Å; Q64-F68 WeakPolarHBondContact O-CD2 3.45Å; Q64-F68 PolarHBondContact O-N 3.2Å; A65-F68 PolarHBondContact O-N 3.32Å; F68-S70 VanDerWaalsContact C-N 3.33Å; F68-S70 PolarHBondContact O-N 3.46Å; F68-C71 PolarHBondContact O-N 3.31Å; F68-F72 WeakPolarHBondContact O-CB 3.09Å; F68-F72 PolarHBondContact O-N 2.88Å; F68-P78 HydrophobicContact CD1-CB 4.14Å; F68-P78 HydrophobicContact CD1-CG 3.54Å; F68-P78 HydrophobicContact CE1-CB 3.9Å; F68-P78 HydrophobicContact CE1-CG 3.6Å; F68-L83 HydrophobicContact CD2-CD2 4.24Å; F68-L83 HydrophobicContact CE1-CD1 3.88Å; F68-L83 HydrophobicContact CE2-CD1 4.12Å; F68-L83 HydrophobicContact CE2-CD2 3.62Å; F68-L83 HydrophobicContact CZ-CD1 3.41Å; F68-L83 VanDerWaalsContact CZ-CD1 3.41Å; F68-L83 HydrophobicContact CZ-CD2 3.81Å; F68-L83 HydrophobicContact CZ-CG 4.27Å
69	S	93.6	Very high	91	Very high	77 Å²	77	67.6 Å²	67.6	54%	0.538	34%	0.342	S	S	.	.	H	α-helix	trans	-62.2	-43.5	177.5	-58.3	0	0	0	0	110.8	A65 A66 Y67 F72 E73	A65-S69 WeakPolarHBondContact O-CB 3.11Å; A65-S69 PolarHBondContact O-N 3.16Å; A65-S69 PolarHBondContact O-OG 2.93Å; A66-S69 PolarHBondContact O-N 2.93Å; Y67-S69 VanDerWaalsContact C-N 3.33Å; Y67-S69 PolarHBondContact O-N 3.4Å; S69-F72 WeakPolarHBondContact O-CB 3.41Å; S69-F72 PolarHBondContact O-N 3.33Å; S69-E73 PolarHBondContact O-N 3.4Å
70	S	93.9	Very high	91.6	Very high	12 Å²	12	71.2 Å²	71.2	8%	0.084	36%	0.359	C	S	.	.	H	α-helix	trans	-64.9	-41.3	176.4	-168.7	0	0	0	0	112.3	A66 Y67 F68 F72 E73 H74 S115	A66-S70 WeakPolarHBondContact O-CB 3.46Å; A66-S70 PolarHBondContact O-N 3.45Å; Y67-S70 PolarHBondContact O-N 2.96Å; F68-S70 VanDerWaalsContact C-N 3.33Å; F68-S70 PolarHBondContact O-N 3.46Å; S70-F72 VanDerWaalsContact C-N 3.33Å; S70-F72 PolarHBondContact O-N 3.33Å; S70-E73 PolarHBondContact O-N 3.47Å; S70-H74 PolarHBondContact O-N 2.68Å; S70-H74 PolarHBondContact O-ND1 3.43Å; S70-S115 VanDerWaalsContact OG-CA 3.24Å; S70-S115 WeakPolarHBondContact OG-CA 3.31Å; S70-S115 PolarHBondContact OG-O 2.95Å
71	C	94.5	Very high	91.9	Very high	1 Å²	1	75 Å²	75	1%	0.007	37%	0.373	C	S	.	.	H	α-helix	trans	-62.5	-40	173.4	-70.3	0	0	0	0	112.4	Y67 F68 H74 R75 I76 P78	Y67-C71 WeakPolarHBondContact CE2-SG 3.47Å; Y67-C71 PolarHBondContact O-N 3.48Å; Y67-C71 PolarHBondContact O-SG 3.34Å; Y67-C71 VanDerWaalsContact O-SG 3.32Å; F68-C71 PolarHBondContact O-N 3.31Å; C71-H74 CarbonylContact O-C 3.57Å; C71-H74 PolarHBondContact O-N 2.97Å; C71-R75 PolarHBondContact O-N 3.23Å; C71-I76 HydrophobicContact CB-CD1 4.17Å; C71-I76 HydrophobicContact CB-CG1 3.88Å; C71-I76 WeakPolarHBondContact O-CG1 3.39Å; C71-I76 PolarHBondContact O-N 3.04Å; C71-P78 HydrophobicContact CB-CG 3.9Å
72	F	93.9	Very high	92.2	Very high	178 Å²	178	67.6 Å²	67.6	78%	0.781	34%	0.338	S	S	*	.	H	α-helix	trans	-63.9	-43.8	177	-178.1	-96.2	0	0	0	111.4	F68 S69 S70 H74 R75	F68-F72 WeakPolarHBondContact O-CB 3.09Å; F68-F72 PolarHBondContact O-N 2.88Å; S69-F72 WeakPolarHBondContact O-CB 3.41Å; S69-F72 PolarHBondContact O-N 3.33Å; S70-F72 VanDerWaalsContact C-N 3.33Å; S70-F72 PolarHBondContact O-N 3.33Å; F72-H74 PolarHBondContact O-N 2.92Å; F72-R75 PolarHBondContact O-N 3.01Å; F72-R75 VanDerWaalsContact O-N 3.13Å
73	E	94.1	Very high	92.4	Very high	149 Å²	149	63.3 Å²	63.3	70%	0.696	32%	0.319	S	S	*	.	H	α-helix	trans	-59.9	-44.9	176.4	-173.4	174.7	-175.1	0	0	111.9	S69 S70 R75	S69-E73 PolarHBondContact O-N 3.4Å; S70-E73 PolarHBondContact O-N 3.47Å; E73-R75 PolarHBondContact O-N 3.5Å
74	H	91.8	Very high	92.5	Very high	52 Å²	52	69.8 Å²	69.8	24%	0.241	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	1.4	178.3	-64.8	84.3	0	0	0	113.7	S70 C71 F72 I76 F111 E114	S70-H74 PolarHBondContact O-N 2.68Å; S70-H74 PolarHBondContact O-ND1 3.43Å; C71-H74 CarbonylContact O-C 3.57Å; C71-H74 PolarHBondContact O-N 2.97Å; F72-H74 PolarHBondContact O-N 2.92Å; H74-I76 VanDerWaalsContact C-N 3.33Å; H74-I76 HydrophobicContact CB-CG1 4.14Å; H74-I76 PolarHBondContact O-N 3.12Å; H74-F111 HydrophobicContact CB-CB 4.43Å; H74-E114 IonicContact CD2-OE2 2.69Å
75	R	93.3	Very high	92.4	Very high	233 Å²	233	70.5 Å²	70.5	88%	0.879	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	43.2	179.1	-53.5	-178.8	-177.2	-173.4	0	113.7	C71 F72 E73	C71-R75 PolarHBondContact O-N 3.23Å; F72-R75 PolarHBondContact O-N 3.01Å; F72-R75 VanDerWaalsContact O-N 3.13Å; E73-R75 PolarHBondContact O-N 3.5Å
76	I	92.9	Very high	92.3	Very high	26 Å²	26	68.2 Å²	68.2	13%	0.133	33%	0.333	C	S	.	.			trans	-117.5	155	178.4	51.9	160.1	0	0	0	111.5	C71 H74 F111 S115	C71-I76 HydrophobicContact CB-CD1 4.17Å; C71-I76 HydrophobicContact CB-CG1 3.88Å; C71-I76 WeakPolarHBondContact O-CG1 3.39Å; C71-I76 PolarHBondContact O-N 3.04Å; H74-I76 VanDerWaalsContact C-N 3.33Å; H74-I76 HydrophobicContact CB-CG1 4.14Å; H74-I76 PolarHBondContact O-N 3.12Å; I76-F111 HydrophobicContact CG2-CB 3.54Å; I76-F111 HydrophobicContact CG2-CG 4.34Å; I76-S115 VanDerWaalsContact CD1-OG 3.25Å; I76-S115 WeakPolarHBondContact CD1-OG 3.35Å
77	T	92.9	Very high	91.9	Very high	113 Å²	113	74.5 Å²	74.5	69%	0.693	36%	0.357	S	S	*	.			trans	-75.5	126.9	169.8	51.6	0	0	0	0	109.7
78	P	92.2	Very high	90.9	Very high	37 Å²	37	78 Å²	78	24%	0.24	39%	0.392	C	S	.	.			trans	-55.9	141.9	174.4	-25.1	34.1	0	0	0	112	Y67 F68 C71 N80 L83	Y67-P78 HydrophobicContact CE1-CB 4.05Å; F68-P78 HydrophobicContact CD1-CB 4.14Å; F68-P78 HydrophobicContact CD1-CG 3.54Å; F68-P78 HydrophobicContact CE1-CB 3.9Å; F68-P78 HydrophobicContact CE1-CG 3.6Å; C71-P78 HydrophobicContact CB-CG 3.9Å; P78-N80 PolarHBondContact O-N 3.03Å; P78-L83 HydrophobicContact CB-CD1 3.89Å
79	I	92.9	Very high	89.9	Confident	19 Å²	19	74 Å²	74	10%	0.097	38%	0.376	C	S	.	.			trans	-79	109.7	178.1	-58.9	172.8	0	0	0	108.6	Y67 F81 L82 L83 L103 I106 L108 H112	Y67-I79 PolarHBondContact OH-N 3Å; I79-F81 VanDerWaalsContact C-N 3.29Å; I79-F81 HydrophobicContact CG2-CB 4.25Å; I79-F81 PolarHBondContact O-N 3.42Å; I79-L82 HydrophobicContact CB-CB 3.9Å; I79-L82 HydrophobicContact CG2-CB 4Å; I79-L82 WeakPolarHBondContact O-CB 3.28Å; I79-L82 PolarHBondContact O-N 3.03Å; I79-L83 PolarHBondContact O-N 2.77Å; I79-L83 VanDerWaalsContact O-N 3.07Å; I79-L103 HydrophobicContact CG2-CD2 4.46Å; I79-I106 HydrophobicContact CG2-CD1 4.15Å; I79-I106 HydrophobicContact CG2-CG2 4.48Å; I79-L108 HydrophobicContact CD1-CD2 3.5Å; I79-L108 VanDerWaalsContact CD1-CD2 3.5Å; I79-H112 HydrophobicContact CD1-CB 4.35Å
80	N	91.3	Very high	88.6	Confident	119 Å²	119	74 Å²	74	64%	0.636	37%	0.369	S	S	*	.	H	α-helix	trans	-56.1	-42	-179	-68.4	-22.1	0	0	0	112.8	P78 L82 L83 E84	P78-N80 PolarHBondContact O-N 3.03Å; N80-L82 PolarHBondContact O-N 2.96Å; N80-L83 WeakPolarHBondContact O-CB 3.36Å; N80-L83 PolarHBondContact O-N 3.17Å; N80-L83 VanDerWaalsContact O-N 3.15Å; N80-E84 WeakPolarHBondContact O-CG 3.44Å; N80-E84 PolarHBondContact O-N 3.34Å
81	F	90.9	Very high	87.1	Confident	96 Å²	96	73.7 Å²	73.7	42%	0.421	37%	0.367	S	S	.	.	H	α-helix	trans	-63.2	-29.9	178.3	-169.8	-111.7	0	0	0	113.4	I79 Q85 S102 L103 I106	I79-F81 VanDerWaalsContact C-N 3.29Å; I79-F81 HydrophobicContact CG2-CB 4.25Å; I79-F81 PolarHBondContact O-N 3.42Å; F81-Q85 PolarHBondContact O-N 3.36Å; F81-Q85 PolarHBondContact O-NE2 2.91Å; F81-S102 WeakPolarHBondContact CE1-O 3.31Å; F81-L103 HydrophobicContact CD1-CD2 4.17Å; F81-I106 HydrophobicContact CB-CD1 3.77Å; F81-I106 HydrophobicContact CD1-CD1 3.5Å; F81-I106 HydrophobicContact CE1-CD1 4.41Å; F81-I106 HydrophobicContact CG-CD1 3.93Å
82	L	92.2	Very high	85.5	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-74.1	-43.1	174.4	-179.5	54.8	0	0	0	110.5	Y67 I79 N80 E84 Q85 I86 L101 L103 M116 I119	Y67-L82 HydrophobicContact CE1-CD2 4Å; Y67-L82 HydrophobicContact CE1-CG 4.42Å; Y67-L82 HydrophobicContact CE2-CD2 3.89Å; I79-L82 HydrophobicContact CB-CB 3.9Å; I79-L82 HydrophobicContact CG2-CB 4Å; I79-L82 WeakPolarHBondContact O-CB 3.28Å; I79-L82 PolarHBondContact O-N 3.03Å; N80-L82 PolarHBondContact O-N 2.96Å; L82-E84 VanDerWaalsContact C-N 3.34Å; L82-E84 PolarHBondContact O-N 2.78Å; L82-Q85 PolarHBondContact O-N 2.57Å; L82-I86 HydrophobicContact CD1-CD1 3.83Å; L82-I86 HydrophobicContact CD1-CG1 4.31Å; L82-I86 HydrophobicContact CG-CD1 3.82Å; L82-I86 VanDerWaalsContact O-CG1 3.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.41Å; L82-I86 PolarHBondContact O-N 2.93Å; L82-L101 HydrophobicContact CD1-CD1 3.33Å; L82-L101 HydrophobicContact CD1-CD2 4.49Å; L82-L101 HydrophobicContact CD1-CG 4.46Å; L82-L103 HydrophobicContact CB-CD2 3.94Å; L82-L103 HydrophobicContact CD1-CD2 4.2Å; L82-M116 HydrophobicContact CD2-CG 4Å; L82-M116 HydrophobicContact CD2-SD 4.39Å; L82-I119 HydrophobicContact CD1-CD1 4.21Å; L82-I119 HydrophobicContact CD2-CD1 3.68Å; L82-I119 HydrophobicContact CG-CD1 4.1Å
83	L	91.7	Very high	83.7	Confident	18 Å²	18	74.9 Å²	74.9	9%	0.094	39%	0.386	C	S	.	.	H	α-helix	trans	-60.4	-42.2	176.3	-71.6	169.2	0	0	0	112	Q64 Y67 F68 P78 I79 N80 Q85 I86 K87	Q64-L83 HydrophobicContact CG-CD2 4.21Å; Y67-L83 HydrophobicContact CD1-CD2 3.76Å; Y67-L83 HydrophobicContact CD1-CG 4.32Å; Y67-L83 HydrophobicContact CE1-CD2 4.23Å; Y67-L83 HydrophobicContact CE1-CG 4.29Å; F68-L83 HydrophobicContact CD2-CD2 4.24Å; F68-L83 HydrophobicContact CE1-CD1 3.88Å; F68-L83 HydrophobicContact CE2-CD1 4.12Å; F68-L83 HydrophobicContact CE2-CD2 3.62Å; F68-L83 HydrophobicContact CZ-CD1 3.41Å; F68-L83 VanDerWaalsContact CZ-CD1 3.41Å; F68-L83 HydrophobicContact CZ-CD2 3.81Å; F68-L83 HydrophobicContact CZ-CG 4.27Å; P78-L83 HydrophobicContact CB-CD1 3.89Å; I79-L83 PolarHBondContact O-N 2.77Å; I79-L83 VanDerWaalsContact O-N 3.07Å; N80-L83 WeakPolarHBondContact O-CB 3.36Å; N80-L83 PolarHBondContact O-N 3.17Å; N80-L83 VanDerWaalsContact O-N 3.15Å; L83-Q85 VanDerWaalsContact C-N 3.31Å; L83-Q85 PolarHBondContact O-N 3.39Å; L83-I86 PolarHBondContact O-N 3.19Å; L83-K87 WeakPolarHBondContact O-CB 3.43Å; L83-K87 PolarHBondContact O-N 3.44Å
84	E	89.6	Confident	81.7	Confident	137 Å²	137	71 Å²	71	64%	0.64	38%	0.375	S	S	*	.	H	α-helix	trans	-59.8	-40.8	176.1	-74.8	177.2	179.4	0	0	112.4	N80 L82 I86	N80-E84 WeakPolarHBondContact O-CG 3.44Å; N80-E84 PolarHBondContact O-N 3.34Å; L82-E84 VanDerWaalsContact C-N 3.34Å; L82-E84 PolarHBondContact O-N 2.78Å; E84-I86 VanDerWaalsContact C-N 3.35Å
85	Q	89.4	Confident	80.1	Confident	51 Å²	51	74.7 Å²	74.7	24%	0.238	40%	0.396	C	S	.	.	H	α-helix	trans	-68.3	-34.5	176.3	-76	173.9	77.8	0	0	112.5	F81 L82 L83 I89 S102	F81-Q85 PolarHBondContact O-N 3.36Å; F81-Q85 PolarHBondContact O-NE2 2.91Å; L82-Q85 PolarHBondContact O-N 2.57Å; L83-Q85 VanDerWaalsContact C-N 3.31Å; L83-Q85 PolarHBondContact O-N 3.39Å; Q85-I89 WeakPolarHBondContact O-CG1 3.46Å; Q85-S102 PolarHBondContact NE2-O 3.36Å; Q85-S102 PolarHBondContact OE1-O 3.46Å
86	I	87.4	Confident	79	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-79.2	-26.9	-179.8	-64.5	167.2	0	0	0	112.1	S60 L63 Q64 L82 L83 E84 G88 I89 I119	S60-I86 PolarHBondContact OG-O 2.97Å; L63-I86 HydrophobicContact CB-CG2 4.07Å; L63-I86 HydrophobicContact CD2-CG2 3.63Å; L63-I86 HydrophobicContact CG-CG2 3.72Å; Q64-I86 HydrophobicContact CG-CG2 3.92Å; L82-I86 HydrophobicContact CD1-CD1 3.83Å; L82-I86 HydrophobicContact CD1-CG1 4.31Å; L82-I86 HydrophobicContact CG-CD1 3.82Å; L82-I86 VanDerWaalsContact O-CG1 3.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.41Å; L82-I86 PolarHBondContact O-N 2.93Å; L83-I86 PolarHBondContact O-N 3.19Å; E84-I86 VanDerWaalsContact C-N 3.35Å; I86-G88 PolarHBondContact O-N 3.38Å; I86-I89 HydrophobicContact CB-CD1 4.4Å; I86-I89 HydrophobicContact CG1-CD1 4.26Å; I86-I89 VanDerWaalsContact O-CB 3.28Å; I86-I89 WeakPolarHBondContact O-CB 3.38Å; I86-I89 PolarHBondContact O-N 2.93Å; I86-I119 HydrophobicContact CD1-CD1 3.57Å; I86-I119 HydrophobicContact CD1-CG1 4.02Å; I86-I119 HydrophobicContact CD1-CG2 4.49Å
87	K	84.4	Confident	78.4	Confident	153 Å²	153	73.5 Å²	73.5	67%	0.665	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.5	-176.7	-166.6	173	178.5	-179.1	0	114.4	S60 L83	S60-K87 WeakPolarHBondContact OG-CA 3.43Å; S60-K87 PolarHBondContact OG-O 3.05Å; L83-K87 WeakPolarHBondContact O-CB 3.43Å; L83-K87 PolarHBondContact O-N 3.44Å
88	G	71.9	Confident	77.9	Confident	72 Å²	72	70.2 Å²	70.2	74%	0.742	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	5.5	176.2	0	0	0	0	0	115.3	I86	I86-G88 PolarHBondContact O-N 3.38Å
89	I	73.5	Confident	77.6	Confident	12 Å²	12	72.9 Å²	72.9	6%	0.062	39%	0.391	C	S	.	.			trans	-93.3	101.8	-171.8	-66.3	-173.4	0	0	0	109.6	S60 L63 Q85 I86 L91 Y98 F125	S60-I89 VanDerWaalsContact CA-O 3.26Å; S60-I89 WeakPolarHBondContact CA-O 3.26Å; S60-I89 WeakPolarHBondContact CB-O 3.16Å; S60-I89 PolarHBondContact N-O 2.7Å; L63-I89 HydrophobicContact CD2-CG2 4.08Å; Q85-I89 WeakPolarHBondContact O-CG1 3.46Å; I86-I89 HydrophobicContact CB-CD1 4.4Å; I86-I89 HydrophobicContact CG1-CD1 4.26Å; I86-I89 VanDerWaalsContact O-CB 3.28Å; I86-I89 WeakPolarHBondContact O-CB 3.38Å; I86-I89 PolarHBondContact O-N 2.93Å; I89-L91 HydrophobicContact CG2-CG 4.26Å; I89-Y98 HydrophobicContact CB-CE1 4.07Å; I89-Y98 HydrophobicContact CB-CE2 4.46Å; I89-Y98 HydrophobicContact CD1-CD1 4.5Å; I89-Y98 HydrophobicContact CD1-CG 4.39Å; I89-Y98 HydrophobicContact CG1-CD1 4.15Å; I89-Y98 HydrophobicContact CG1-CE1 4.13Å; I89-Y98 HydrophobicContact CG2-CD1 4.21Å; I89-Y98 HydrophobicContact CG2-CD2 3.93Å; I89-Y98 HydrophobicContact CG2-CE1 3.62Å; I89-Y98 HydrophobicContact CG2-CE2 3.25Å; I89-Y98 HydrophobicContact CG2-CG 4.37Å; I89-Y98 VanDerWaalsContact CG2-OH 3.26Å; I89-Y98 WeakPolarHBondContact CG2-OH 3.39Å; I89-F125 HydrophobicContact CD1-CE1 4Å; I89-F125 HydrophobicContact CD1-CZ 4.36Å
90	D	65.7	Low	77.5	Confident	76 Å²	76	78.3 Å²	78.3	41%	0.406	41%	0.411	S	S	.	.			trans	-102.8	103	169.5	-168.6	-9.7	0	0	0	110.3	S92 I93 Y98	D90-S92 VanDerWaalsContact CG-OG 3.3Å; D90-S92 PolarHBondContact O-N 2.87Å; D90-S92 VanDerWaalsContact OD1-CB 3.31Å; D90-S92 WeakPolarHBondContact OD1-CB 3.34Å; D90-S92 PolarHBondContact OD1-N 3.05Å; D90-S92 VanDerWaalsContact OD1-N 3.07Å; D90-S92 PolarHBondContact OD1-OG 2.98Å; D90-S92 PolarHBondContact OD2-OG 3.44Å; D90-I93 HydrophobicContact CB-CD1 4.24Å; D90-Y98 PolarHBondContact N-OH 3.46Å; D90-Y98 PolarHBondContact O-OH 3.32Å
91	L	62.8	Low	77.6	Confident	5 Å²	5	72.7 Å²	72.7	3%	0.026	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-7.5	-178.4	-78.7	154.3	0	0	0	112.5	C58 I89 I93 Y98 R122 A123	C58-L91 VanDerWaalsContact O-CB 3.31Å; C58-L91 WeakPolarHBondContact O-CB 3.23Å; C58-L91 WeakPolarHBondContact O-CD1 3.47Å; C58-L91 WeakPolarHBondContact SG-CD1 3.39Å; I89-L91 HydrophobicContact CG2-CG 4.26Å; L91-I93 PolarHBondContact O-N 3.13Å; L91-Y98 WeakPolarHBondContact CA-OH 3.37Å; L91-Y98 HydrophobicContact CD1-CE2 4.49Å; L91-Y98 HydrophobicContact CD2-CD2 4.37Å; L91-Y98 HydrophobicContact CD2-CE2 3.33Å; L91-Y98 HydrophobicContact CG-CE2 3.63Å; L91-Y98 VanDerWaalsContact CG-OH 3.24Å; L91-Y98 WeakPolarHBondContact CG-OH 3.26Å; L91-Y98 PolarHBondContact N-OH 2.84Å; L91-R122 VanDerWaalsContact CD1-O 3.27Å; L91-R122 WeakPolarHBondContact CD1-O 3.4Å; L91-A123 HydrophobicContact CD1-CB 4.45Å
92	S	60.6	Low	77.7	Confident	82 Å²	82	69.1 Å²	69.1	57%	0.573	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-19	-178	69.8	0	0	0	0	113	D90	D90-S92 VanDerWaalsContact CG-OG 3.3Å; D90-S92 PolarHBondContact O-N 2.87Å; D90-S92 VanDerWaalsContact OD1-CB 3.31Å; D90-S92 WeakPolarHBondContact OD1-CB 3.34Å; D90-S92 PolarHBondContact OD1-N 3.05Å; D90-S92 VanDerWaalsContact OD1-N 3.07Å; D90-S92 PolarHBondContact OD1-OG 2.98Å; D90-S92 PolarHBondContact OD2-OG 3.44Å
93	I	57.1	Low	77.9	Confident	122 Å²	122	69.1 Å²	69.1	63%	0.626	37%	0.367	S	S	*	.	S	Bend	trans	-96.9	-29.5	-166.4	-54	177.8	0	0	0	112.4	D90 L91	D90-I93 HydrophobicContact CB-CD1 4.24Å; L91-I93 PolarHBondContact O-N 3.13Å
94	C	51.8	Low	78	Confident	68 Å²	68	74.3 Å²	74.3	46%	0.459	39%	0.386	S	S	.	.			trans	-147.1	127.7	-175.7	-62.8	0	0	0	0	112.1	E96	C94-E96 HydrophobicContact CB-CB 4.17Å; C94-E96 HydrophobicContact CB-CG 4.33Å; C94-E96 PolarHBondContact O-N 3.24Å
95	N	57.3	Low	78.1	Confident	129 Å²	129	70.1 Å²	70.1	69%	0.69	38%	0.379	S	S	*	.	S	Bend	trans	-71.7	28.2	170.4	-132.3	12	0	0	0	112.1
96	E	70.3	Confident	78.3	Confident	154 Å²	154	69.7 Å²	69.7	72%	0.72	38%	0.378	S	S	*	.	S	Bend	trans	-110.5	156.7	-172.2	-65.2	-164.8	164.7	0	0	111.4	C94	C94-E96 HydrophobicContact CB-CB 4.17Å; C94-E96 HydrophobicContact CB-CG 4.33Å; C94-E96 PolarHBondContact O-N 3.24Å
97	R	81.1	Confident	78.6	Confident	81 Å²	81	78.3 Å²	78.3	31%	0.306	41%	0.411	S	S	.	.			trans	-71.8	135.3	178.7	-66.4	175.6	174.4	-96.2	-5.3	110.5	H124 F125 R126 E151 S152	R97-H124 CarbonylContact C-O 3.51Å; R97-H124 WeakPolarHBondContact CA-O 3.02Å; R97-H124 HydrophobicContact CG-CB 3.95Å; R97-F125 PolarHBondContact NH1-O 3.19Å; R97-R126 HydrophobicContact CB-CB 4.44Å; R97-E151 VanDerWaalsContact CZ-O 3.27Å; R97-E151 PolarHBondContact NH1-O 3.32Å; R97-E151 PolarHBondContact NH2-O 2.74Å; R97-S152 VanDerWaalsContact NH1-C 3.25Å; R97-S152 PolarHBondContact NH1-O 2.9Å
98	Y	82.8	Confident	79	Confident	44 Å²	44	71.3 Å²	71.3	17%	0.173	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	152.3	172.8	-77.2	-73.9	0	0	0	112.9	I89 D90 L91 H124 F125 R126	I89-Y98 HydrophobicContact CB-CE1 4.07Å; I89-Y98 HydrophobicContact CB-CE2 4.46Å; I89-Y98 HydrophobicContact CD1-CD1 4.5Å; I89-Y98 HydrophobicContact CD1-CG 4.39Å; I89-Y98 HydrophobicContact CG1-CD1 4.15Å; I89-Y98 HydrophobicContact CG1-CE1 4.13Å; I89-Y98 HydrophobicContact CG2-CD1 4.21Å; I89-Y98 HydrophobicContact CG2-CD2 3.93Å; I89-Y98 HydrophobicContact CG2-CE1 3.62Å; I89-Y98 HydrophobicContact CG2-CE2 3.25Å; I89-Y98 HydrophobicContact CG2-CG 4.37Å; I89-Y98 VanDerWaalsContact CG2-OH 3.26Å; I89-Y98 WeakPolarHBondContact CG2-OH 3.39Å; D90-Y98 PolarHBondContact N-OH 3.46Å; D90-Y98 PolarHBondContact O-OH 3.32Å; L91-Y98 WeakPolarHBondContact CA-OH 3.37Å; L91-Y98 HydrophobicContact CD1-CE2 4.49Å; L91-Y98 HydrophobicContact CD2-CD2 4.37Å; L91-Y98 HydrophobicContact CD2-CE2 3.33Å; L91-Y98 HydrophobicContact CG-CE2 3.63Å; L91-Y98 VanDerWaalsContact CG-OH 3.24Å; L91-Y98 WeakPolarHBondContact CG-OH 3.26Å; L91-Y98 PolarHBondContact N-OH 2.84Å; Y98-H124 PolarHBondContact N-O 3.03Å; Y98-F125 HydrophobicContact CD2-CE1 4.49Å; Y98-F125 HydrophobicContact CG-CE1 4.43Å; Y98-F125 CarbonylContact O-C 3.51Å; Y98-F125 WeakPolarHBondContact O-CA 3.2Å; Y98-R126 WeakPolarHBondContact O-CB 3.45Å; Y98-R126 PolarHBondContact O-N 3.32Å
99	S	85.4	Confident	79.8	Confident	92 Å²	92	70.7 Å²	70.7	64%	0.643	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	-53.9	-173.6	57.6	0	0	0	0	113.1	V127	S99-V127 PolarHBondContact O-N 3.46Å
100	R	90.4	Very high	80.7	Confident	133 Å²	133	75.1 Å²	75.1	50%	0.502	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	137.7	-173.2	-171.5	173.7	-168.9	127.9	-0.1	112.9	V127 D129	R100-V127 CarbonylContact C-O 3.1Å; R100-V127 WeakPolarHBondContact CA-O 3.32Å; R100-V127 HydrophobicContact CB-CB 4.3Å; R100-V127 HydrophobicContact CG-CB 4.08Å; R100-V127 HydrophobicContact CG-CG1 4.15Å; R100-D129 IonicContact CZ-OD2 2.88Å; R100-D129 IonicContact NH2-OD2 2.64Å; R100-D129 PolarHBondContact NH2-OD2 3.01Å
101	L	92.9	Very high	81.9	Confident	2 Å²	2	76.5 Å²	76.5	1%	0.01	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120.6	161	174.9	66.3	0	0	0	108.6	L82 M116 F120 F125 V127 I128 D129	L82-L101 HydrophobicContact CD1-CD1 3.33Å; L82-L101 HydrophobicContact CD1-CD2 4.49Å; L82-L101 HydrophobicContact CD1-CG 4.46Å; L101-M116 HydrophobicContact CD2-CE 4.34Å; L101-F120 HydrophobicContact CD2-CE1 4.08Å; L101-F120 HydrophobicContact CD2-CZ 4.44Å; L101-F125 HydrophobicContact CB-CD1 3.63Å; L101-F125 HydrophobicContact CB-CD2 4.24Å; L101-F125 HydrophobicContact CB-CE1 3.79Å; L101-F125 HydrophobicContact CB-CE2 4.37Å; L101-F125 HydrophobicContact CB-CG 3.88Å; L101-F125 HydrophobicContact CB-CZ 4.17Å; L101-F125 HydrophobicContact CD2-CD2 4.24Å; L101-F125 HydrophobicContact CD2-CE2 3.94Å; L101-F125 HydrophobicContact CD2-CZ 4.14Å; L101-V127 PolarHBondContact N-O 3.04Å; L101-I128 HydrophobicContact CB-CG1 4.48Å; L101-I128 CarbonylContact O-C 3.22Å; L101-I128 WeakPolarHBondContact O-CA 3.45Å; L101-D129 PolarHBondContact O-N 3.3Å
102	S	94.5	Very high	83.4	Confident	20 Å²	20	77.5 Å²	77.5	14%	0.14	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.9	178.6	-175.3	0	0	0	0	110.9	F81 Q85 R104 D129	F81-S102 WeakPolarHBondContact CE1-O 3.31Å; Q85-S102 PolarHBondContact NE2-O 3.36Å; Q85-S102 PolarHBondContact OE1-O 3.46Å; S102-R104 PolarHBondContact OG-N 3.39Å; S102-D129 WeakPolarHBondContact CA-O 3.44Å; S102-D129 PolarHBondContact OG-OD2 2.8Å
103	L	95.1	Very high	85	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	36%	0.356	C	S	.	.			trans	-122.7	28.2	168.8	-60	174.2	0	0	0	110.3	I79 F81 L82 G105 I106 L108 M116 D129 L130 T133	I79-L103 HydrophobicContact CG2-CD2 4.46Å; F81-L103 HydrophobicContact CD1-CD2 4.17Å; L82-L103 HydrophobicContact CB-CD2 3.94Å; L82-L103 HydrophobicContact CD1-CD2 4.2Å; L103-G105 PolarHBondContact O-N 3.45Å; L103-I106 HydrophobicContact CB-CD1 4.41Å; L103-I106 HydrophobicContact CD2-CD1 4.06Å; L103-I106 WeakPolarHBondContact O-CB 3.32Å; L103-I106 PolarHBondContact O-N 2.99Å; L103-L108 HydrophobicContact CB-CD1 4.45Å; L103-L108 HydrophobicContact CD1-CD1 4.03Å; L103-L108 HydrophobicContact CD1-CD2 4.32Å; L103-M116 HydrophobicContact CD1-CE 3.58Å; L103-M116 HydrophobicContact CD1-SD 3.76Å; L103-D129 PolarHBondContact N-O 2.79Å; L103-L130 HydrophobicContact CB-CD2 3.95Å; L103-L130 HydrophobicContact CD1-CD2 4.12Å; L103-L130 HydrophobicContact CG-CD2 4.34Å; L103-T133 HydrophobicContact CB-CG2 4.44Å; L103-T133 VanDerWaalsContact O-CG2 3.23Å; L103-T133 WeakPolarHBondContact O-CG2 3.43Å
104	R	94.1	Very high	86.7	Confident	128 Å²	128	69.6 Å²	69.6	48%	0.483	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	128.9	-174.9	-179.4	176.4	179.4	130.8	9.4	111.3	S102 I106 E131	S102-R104 PolarHBondContact OG-N 3.39Å; R104-I106 PolarHBondContact O-N 3.11Å; R104-E131 VanDerWaalsContact CA-O 3.32Å; R104-E131 WeakPolarHBondContact CA-O 3.5Å; R104-E131 HydrophobicContact CG-CB 4.14Å; R104-E131 IonicContact CZ-OE2 3.08Å; R104-E131 IonicContact NE-OE2 2.84Å; R104-E131 IonicContact NH1-OE1 2.84Å; R104-E131 IonicContact NH1-OE2 3.74Å; R104-E131 PolarHBondContact NH1-OE2 3.07Å; R104-E131 IonicContact NH2-OE2 3.93Å; R104-E131 PolarHBondContact NH2-OE2 2.99Å
105	G	92.7	Very high	88.7	Confident	48 Å²	48	66.4 Å²	66.4	50%	0.495	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	-4.3	179.2	0	0	0	0	0	115.6	L103 E131 N132	L103-G105 PolarHBondContact O-N 3.45Å; G105-E131 PolarHBondContact N-O 3.34Å; G105-N132 WeakPolarHBondContact CA-O 3.44Å
106	I	93.4	Very high	90.5	Very high	43 Å²	43	60.2 Å²	60.2	22%	0.221	28%	0.28	C	S	.	.			trans	-85.2	126.8	176.6	-59.7	178	0	0	0	109.1	I79 F81 L103 R104 L108 T133	I79-I106 HydrophobicContact CG2-CD1 4.15Å; I79-I106 HydrophobicContact CG2-CG2 4.48Å; F81-I106 HydrophobicContact CB-CD1 3.77Å; F81-I106 HydrophobicContact CD1-CD1 3.5Å; F81-I106 HydrophobicContact CE1-CD1 4.41Å; F81-I106 HydrophobicContact CG-CD1 3.93Å; L103-I106 HydrophobicContact CB-CD1 4.41Å; L103-I106 HydrophobicContact CD2-CD1 4.06Å; L103-I106 WeakPolarHBondContact O-CB 3.32Å; L103-I106 PolarHBondContact O-N 2.99Å; R104-I106 PolarHBondContact O-N 3.11Å; I106-L108 HydrophobicContact CG2-CD2 4.14Å; I106-L108 PolarHBondContact O-N 3.45Å; I106-T133 WeakPolarHBondContact O-CA 3.47Å; I106-T133 WeakPolarHBondContact O-CB 3.23Å; I106-T133 WeakPolarHBondContact O-CG2 3.46Å
107	R	92.9	Very high	91.5	Very high	181 Å²	181	56.5 Å²	56.5	68%	0.683	26%	0.262	S	S	*	.			trans	-70.3	114	177.9	-170.9	174.2	178.3	88.5	2.1	110.8	T133 F134	R107-T133 WeakPolarHBondContact CA-O 3.38Å; R107-F134 HydrophobicContact CG-CB 4.31Å
108	L	92.8	Very high	91.9	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.026	25%	0.253	C	S	.	.			trans	-102.6	139.4	179	-60.3	179.8	0	0	0	110.7	I79 L103 I106 H112 I113 L130 T133 L135	I79-L108 HydrophobicContact CD1-CD2 3.5Å; I79-L108 VanDerWaalsContact CD1-CD2 3.5Å; L103-L108 HydrophobicContact CB-CD1 4.45Å; L103-L108 HydrophobicContact CD1-CD1 4.03Å; L103-L108 HydrophobicContact CD1-CD2 4.32Å; I106-L108 HydrophobicContact CG2-CD2 4.14Å; I106-L108 PolarHBondContact O-N 3.45Å; L108-H112 HydrophobicContact CD2-CB 4.09Å; L108-I113 HydrophobicContact CB-CD1 4.47Å; L108-I113 HydrophobicContact CD1-CD1 3.99Å; L108-L130 HydrophobicContact CD1-CD2 4.03Å; L108-T133 HydrophobicContact CD1-CG2 3.84Å; L108-T133 HydrophobicContact CG-CG2 4.21Å; L108-T133 PolarHBondContact N-O 3.41Å; L108-L135 HydrophobicContact CB-CD2 3.71Å; L108-L135 HydrophobicContact CD1-CD2 4.37Å
109	N	89.8	Confident	92.3	Very high	59 Å²	59	51.1 Å²	51.1	32%	0.316	24%	0.244	S	C	.	.			trans	-112.7	175.2	171.9	68.3	22.9	0	0	0	109.3	F111 H112 I113	N109-F111 VanDerWaalsContact C-N 3.3Å; N109-F111 PolarHBondContact O-N 3.43Å; N109-F111 PolarHBondContact OD1-N 3.09Å; N109-F111 VanDerWaalsContact OD1-N 3.09Å; N109-H112 PolarHBondContact N-ND1 3.25Å; N109-H112 PolarHBondContact O-N 3.19Å; N109-H112 PolarHBondContact OD1-CD2 2.99Å; N109-H112 PolarHBondContact OD1-N 3.41Å; N109-H112 PolarHBondContact OD1-ND1 3.04Å; N109-I113 PolarHBondContact O-N 3.37Å
110	R	90.4	Very high	92.5	Very high	105 Å²	105	46.8 Å²	46.8	40%	0.396	21%	0.214	S	C	.	.	H	α-helix	trans	-54.4	-43.2	178.7	-179.2	177.9	172	177	-2.8	113.5	H112 I113 E114	R110-H112 PolarHBondContact O-N 3.36Å; R110-I113 PolarHBondContact O-N 3.44Å; R110-E114 HydrophobicContact CG-CG 4.42Å; R110-E114 IonicContact CZ-OE1 2.86Å; R110-E114 VanDerWaalsContact CZ-OE1 3.27Å; R110-E114 IonicContact NE-OE1 3.46Å; R110-E114 PolarHBondContact NE-OE1 2.98Å; R110-E114 IonicContact NE-OE2 3.88Å; R110-E114 IonicContact NH2-OE1 2.63Å; R110-E114 PolarHBondContact NH2-OE1 3.05Å; R110-E114 WeakPolarHBondContact O-CG 3.43Å; R110-E114 PolarHBondContact O-N 2.83Å
111	F	92.6	Very high	92.3	Very high	106 Å²	106	43.2 Å²	43.2	47%	0.465	20%	0.203	S	C	.	.	H	α-helix	trans	-67.9	-35.1	-178.7	-57.6	-64.5	0	0	0	112.5	H74 I76 N109 I113 S115	H74-F111 HydrophobicContact CB-CB 4.43Å; I76-F111 HydrophobicContact CG2-CB 3.54Å; I76-F111 HydrophobicContact CG2-CG 4.34Å; N109-F111 VanDerWaalsContact C-N 3.3Å; N109-F111 PolarHBondContact O-N 3.43Å; N109-F111 PolarHBondContact OD1-N 3.09Å; N109-F111 VanDerWaalsContact OD1-N 3.09Å; F111-I113 VanDerWaalsContact C-N 3.34Å; F111-S115 VanDerWaalsContact O-CB 3.31Å; F111-S115 WeakPolarHBondContact O-CB 3.3Å; F111-S115 PolarHBondContact O-N 2.94Å; F111-S115 PolarHBondContact O-OG 3.37Å
112	H	94.1	Very high	91.9	Very high	26 Å²	26	46 Å²	46	12%	0.12	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-46	171.9	-60.2	154.4	0	0	0	110.2	I79 L108 N109 R110 S115 M116	I79-H112 HydrophobicContact CD1-CB 4.35Å; L108-H112 HydrophobicContact CD2-CB 4.09Å; N109-H112 PolarHBondContact N-ND1 3.25Å; N109-H112 PolarHBondContact O-N 3.19Å; N109-H112 PolarHBondContact OD1-CD2 2.99Å; N109-H112 PolarHBondContact OD1-N 3.41Å; N109-H112 PolarHBondContact OD1-ND1 3.04Å; R110-H112 PolarHBondContact O-N 3.36Å; H112-S115 PolarHBondContact O-N 3.32Å; H112-S115 PolarHBondContact O-OG 3.47Å; H112-M116 VanDerWaalsContact O-CG 3.24Å; H112-M116 WeakPolarHBondContact O-CG 3.49Å; H112-M116 PolarHBondContact O-N 2.82Å
113	I	94.4	Very high	91.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-49.3	178.4	-67	-52.8	0	0	0	111.8	L108 N109 R110 F111 S115 M116 E117 L135 L143 M146	L108-I113 HydrophobicContact CB-CD1 4.47Å; L108-I113 HydrophobicContact CD1-CD1 3.99Å; N109-I113 PolarHBondContact O-N 3.37Å; R110-I113 PolarHBondContact O-N 3.44Å; F111-I113 VanDerWaalsContact C-N 3.34Å; I113-S115 VanDerWaalsContact C-N 3.28Å; I113-S115 PolarHBondContact O-N 3.32Å; I113-M116 HydrophobicContact CD1-SD 4.19Å; I113-M116 WeakPolarHBondContact O-CB 3.46Å; I113-M116 PolarHBondContact O-N 3.25Å; I113-M116 VanDerWaalsContact O-N 3.09Å; I113-E117 PolarHBondContact O-N 3.36Å; I113-L135 HydrophobicContact CD1-CD2 3.84Å; I113-L135 HydrophobicContact CG1-CD2 3.77Å; I113-L143 HydrophobicContact CD1-CD1 4.33Å; I113-L143 HydrophobicContact CG2-CB 3.85Å; I113-L143 HydrophobicContact CG2-CD1 4.43Å; I113-M146 HydrophobicContact CG2-CE 3.24Å; I113-M146 WeakPolarHBondContact O-CE 3.4Å
114	E	93.1	Very high	91.1	Very high	37 Å²	37	46.5 Å²	46.5	17%	0.173	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-40.4	176.5	-70.7	172	169.4	0	0	111	H74 R110 M116 E117	H74-E114 IonicContact CD2-OE2 2.69Å; R110-E114 HydrophobicContact CG-CG 4.42Å; R110-E114 IonicContact CZ-OE1 2.86Å; R110-E114 VanDerWaalsContact CZ-OE1 3.27Å; R110-E114 IonicContact NE-OE1 3.46Å; R110-E114 PolarHBondContact NE-OE1 2.98Å; R110-E114 IonicContact NE-OE2 3.88Å; R110-E114 IonicContact NH2-OE1 2.63Å; R110-E114 PolarHBondContact NH2-OE1 3.05Å; R110-E114 WeakPolarHBondContact O-CG 3.43Å; R110-E114 PolarHBondContact O-N 2.83Å; E114-M116 VanDerWaalsContact C-N 3.26Å; E114-M116 PolarHBondContact O-N 3.42Å; E114-E117 WeakPolarHBondContact O-CB 3.39Å; E114-E117 PolarHBondContact O-N 3.28Å; E114-E117 VanDerWaalsContact O-N 3.12Å
115	S	93.8	Very high	90.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-29.9	177.1	73.7	0	0	0	0	114.1	S70 I76 F111 H112 I113 E117	S70-S115 VanDerWaalsContact OG-CA 3.24Å; S70-S115 WeakPolarHBondContact OG-CA 3.31Å; S70-S115 PolarHBondContact OG-O 2.95Å; I76-S115 VanDerWaalsContact CD1-OG 3.25Å; I76-S115 WeakPolarHBondContact CD1-OG 3.35Å; F111-S115 VanDerWaalsContact O-CB 3.31Å; F111-S115 WeakPolarHBondContact O-CB 3.3Å; F111-S115 PolarHBondContact O-N 2.94Å; F111-S115 PolarHBondContact O-OG 3.37Å; H112-S115 PolarHBondContact O-N 3.32Å; H112-S115 PolarHBondContact O-OG 3.47Å; I113-S115 VanDerWaalsContact C-N 3.28Å; I113-S115 PolarHBondContact O-N 3.32Å; S115-E117 PolarHBondContact O-N 3.22Å
116	M	94	Very high	90.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-72.4	-12.8	177.5	-72.5	172.1	65.7	0	0	112.9	Y67 L82 L101 L103 H112 I113 E114 A118 I119 F120	Y67-M116 HydrophobicContact CE2-CG 4.32Å; L82-M116 HydrophobicContact CD2-CG 4Å; L82-M116 HydrophobicContact CD2-SD 4.39Å; L101-M116 HydrophobicContact CD2-CE 4.34Å; L103-M116 HydrophobicContact CD1-CE 3.58Å; L103-M116 HydrophobicContact CD1-SD 3.76Å; H112-M116 VanDerWaalsContact O-CG 3.24Å; H112-M116 WeakPolarHBondContact O-CG 3.49Å; H112-M116 PolarHBondContact O-N 2.82Å; I113-M116 HydrophobicContact CD1-SD 4.19Å; I113-M116 WeakPolarHBondContact O-CB 3.46Å; I113-M116 PolarHBondContact O-N 3.25Å; I113-M116 VanDerWaalsContact O-N 3.09Å; E114-M116 VanDerWaalsContact C-N 3.26Å; E114-M116 PolarHBondContact O-N 3.42Å; M116-A118 PolarHBondContact O-N 2.71Å; M116-I119 HydrophobicContact CG-CD1 4.38Å; M116-I119 WeakPolarHBondContact O-CB 3.38Å; M116-I119 PolarHBondContact O-N 2.77Å; M116-F120 HydrophobicContact CB-CE2 4.18Å; M116-F120 HydrophobicContact CE-CE2 4.21Å; M116-F120 HydrophobicContact CE-CZ 3.83Å; M116-F120 PolarHBondContact O-N 2.86Å
117	E	92	Very high	90.9	Very high	76 Å²	76	44.1 Å²	44.1	36%	0.355	19%	0.19	S	C	.	.	H	α-helix	trans	-54.8	-40.4	174.4	-166.3	168.8	-176.9	0	0	111.8	I113 E114 S115 I119 F120 Q121 M146 Y150	I113-E117 PolarHBondContact O-N 3.36Å; E114-E117 WeakPolarHBondContact O-CB 3.39Å; E114-E117 PolarHBondContact O-N 3.28Å; E114-E117 VanDerWaalsContact O-N 3.12Å; S115-E117 PolarHBondContact O-N 3.22Å; E117-I119 PolarHBondContact O-N 3.34Å; E117-I119 VanDerWaalsContact O-N 3.12Å; E117-F120 PolarHBondContact O-N 3.4Å; E117-F120 VanDerWaalsContact O-N 3.08Å; E117-Q121 WeakPolarHBondContact O-CB 3.4Å; E117-Q121 PolarHBondContact O-N 3.44Å; E117-M146 HydrophobicContact CB-SD 3.44Å; E117-M146 WeakPolarHBondContact CB-SD 3.25Å; E117-M146 HydrophobicContact CG-CG 4.2Å; E117-M146 HydrophobicContact CG-SD 3.59Å; E117-M146 VanDerWaalsContact CG-SD 3.59Å; E117-Y150 HydrophobicContact CG-CE2 3.76Å; E117-Y150 PolarHBondContact OE1-OH 2.55Å
118	A	89.3	Confident	91	Very high	12 Å²	12	35.5 Å²	35.5	10%	0.099	16%	0.158	C	C	.	.	H	α-helix	trans	-57.9	-29.2	178.4	0	0	0	0	0	112.9	M116 R122	M116-A118 PolarHBondContact O-N 2.71Å; A118-R122 PolarHBondContact O-NH1 3.38Å
119	I	90.8	Very high	91.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-77.6	-50.3	175.3	-61.3	162.4	0	0	0	109.9	L63 Y67 L82 I86 M116 E117 Q121 R122 A123 F125	L63-I119 HydrophobicContact CD1-CB 4.48Å; L63-I119 HydrophobicContact CD1-CG1 4.44Å; L63-I119 HydrophobicContact CD1-CG2 4.4Å; Y67-I119 HydrophobicContact CD2-CD1 3.55Å; Y67-I119 HydrophobicContact CD2-CG1 4.06Å; Y67-I119 HydrophobicContact CE2-CD1 4.03Å; Y67-I119 HydrophobicContact CG-CD1 3.9Å; Y67-I119 HydrophobicContact CG-CG1 4.27Å; L82-I119 HydrophobicContact CD1-CD1 4.21Å; L82-I119 HydrophobicContact CD2-CD1 3.68Å; L82-I119 HydrophobicContact CG-CD1 4.1Å; I86-I119 HydrophobicContact CD1-CD1 3.57Å; I86-I119 HydrophobicContact CD1-CG1 4.02Å; I86-I119 HydrophobicContact CD1-CG2 4.49Å; M116-I119 HydrophobicContact CG-CD1 4.38Å; M116-I119 WeakPolarHBondContact O-CB 3.38Å; M116-I119 PolarHBondContact O-N 2.77Å; E117-I119 PolarHBondContact O-N 3.34Å; E117-I119 VanDerWaalsContact O-N 3.12Å; I119-Q121 PolarHBondContact O-N 3.08Å; I119-R122 CarbonylContact O-C 3.57Å; I119-R122 PolarHBondContact O-N 2.92Å; I119-A123 HydrophobicContact CG2-CB 4.41Å; I119-A123 PolarHBondContact O-N 3.28Å; I119-F125 HydrophobicContact CG2-CE2 4.04Å; I119-F125 HydrophobicContact CG2-CZ 4.13Å
120	F	89.5	Confident	91.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.4	-25.6	-177.5	-64.5	-42.7	0	0	0	113.8	L101 M116 E117 R122 F125 I128 L143 L147 Y150	L101-F120 HydrophobicContact CD2-CE1 4.08Å; L101-F120 HydrophobicContact CD2-CZ 4.44Å; M116-F120 HydrophobicContact CB-CE2 4.18Å; M116-F120 HydrophobicContact CE-CE2 4.21Å; M116-F120 HydrophobicContact CE-CZ 3.83Å; M116-F120 PolarHBondContact O-N 2.86Å; E117-F120 PolarHBondContact O-N 3.4Å; E117-F120 VanDerWaalsContact O-N 3.08Å; F120-R122 PolarHBondContact O-N 3.34Å; F120-F125 HydrophobicContact CD1-CE2 4.42Å; F120-F125 HydrophobicContact CE1-CD2 4.41Å; F120-F125 HydrophobicContact CE1-CE2 4.38Å; F120-I128 HydrophobicContact CD1-CD1 4.43Å; F120-I128 HydrophobicContact CE1-CD1 3.64Å; F120-I128 HydrophobicContact CZ-CD1 4.19Å; F120-L143 HydrophobicContact CE2-CD1 3.98Å; F120-L143 HydrophobicContact CZ-CD1 4.48Å; F120-L147 HydrophobicContact CD1-CD2 4.47Å; F120-L147 HydrophobicContact CD2-CD2 4.47Å; F120-L147 HydrophobicContact CE1-CD2 4.19Å; F120-L147 HydrophobicContact CE2-CD2 4.17Å; F120-L147 HydrophobicContact CZ-CD2 4.02Å; F120-Y150 HydrophobicContact CB-CD2 3.96Å; F120-Y150 HydrophobicContact CB-CG 4.4Å; F120-Y150 WeakPolarHBondContact O-CB 3.37Å
121	Q	86.6	Confident	91.8	Very high	59 Å²	59	28.6 Å²	28.6	28%	0.276	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-27.9	171.3	-169.8	-176.6	22.8	0	0	112.8	E49 E117 I119 Y150	E49-Q121 PolarHBondContact OE2-NE2 2.86Å; E117-Q121 WeakPolarHBondContact O-CB 3.4Å; E117-Q121 PolarHBondContact O-N 3.44Å; I119-Q121 PolarHBondContact O-N 3.08Å; Q121-Y150 HydrophobicContact CB-CD1 4.45Å; Q121-Y150 HydrophobicContact CB-CE1 3.87Å; Q121-Y150 HydrophobicContact CG-CE1 3.88Å
122	R	83.9	Confident	91.9	Very high	60 Å²	60	26 Å²	26	23%	0.226	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-16.4	-169.5	-72.6	173.4	-177.8	68.3	9.7	114.4	P55 L63 L91 A118 I119 F120	P55-R122 VanDerWaalsContact CB-C 3.5Å; P55-R122 WeakPolarHBondContact CB-O 3.24Å; L63-R122 HydrophobicContact CD1-CB 3.72Å; L91-R122 VanDerWaalsContact CD1-O 3.27Å; L91-R122 WeakPolarHBondContact CD1-O 3.4Å; A118-R122 PolarHBondContact O-NH1 3.38Å; I119-R122 CarbonylContact O-C 3.57Å; I119-R122 PolarHBondContact O-N 2.92Å; F120-R122 PolarHBondContact O-N 3.34Å
123	A	84.8	Confident	91.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.113	C	C	.	.			trans	-140.3	132.8	-176.4	0	0	0	0	0	111.5	L63 L91 I119 F125	L63-A123 HydrophobicContact CD2-CB 4.02Å; L91-A123 HydrophobicContact CD1-CB 4.45Å; I119-A123 HydrophobicContact CG2-CB 4.41Å; I119-A123 PolarHBondContact O-N 3.28Å; A123-F125 HydrophobicContact CB-CE2 4.04Å; A123-F125 HydrophobicContact CB-CZ 4.01Å
124	H	87.3	Confident	91.7	Very high	31 Å²	31	29.9 Å²	29.9	14%	0.144	14%	0.135	C	C	.	.			trans	-107	141.3	171.8	-60.1	170.2	0	0	0	109.8	R97 Y98 Y150	R97-H124 CarbonylContact C-O 3.51Å; R97-H124 WeakPolarHBondContact CA-O 3.02Å; R97-H124 HydrophobicContact CG-CB 3.95Å; Y98-H124 PolarHBondContact N-O 3.03Å; H124-Y150 PolarHBondContact NE2-O 3.46Å
125	F	90.2	Very high	91.7	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.009	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	158.2	179.3	-58.6	-85.9	0	0	0	109.9	I89 R97 Y98 L101 I119 F120 A123 I128 S152 C153	I89-F125 HydrophobicContact CD1-CE1 4Å; I89-F125 HydrophobicContact CD1-CZ 4.36Å; R97-F125 PolarHBondContact NH1-O 3.19Å; Y98-F125 HydrophobicContact CD2-CE1 4.49Å; Y98-F125 HydrophobicContact CG-CE1 4.43Å; Y98-F125 CarbonylContact O-C 3.51Å; Y98-F125 WeakPolarHBondContact O-CA 3.2Å; L101-F125 HydrophobicContact CB-CD1 3.63Å; L101-F125 HydrophobicContact CB-CD2 4.24Å; L101-F125 HydrophobicContact CB-CE1 3.79Å; L101-F125 HydrophobicContact CB-CE2 4.37Å; L101-F125 HydrophobicContact CB-CG 3.88Å; L101-F125 HydrophobicContact CB-CZ 4.17Å; L101-F125 HydrophobicContact CD2-CD2 4.24Å; L101-F125 HydrophobicContact CD2-CE2 3.94Å; L101-F125 HydrophobicContact CD2-CZ 4.14Å; I119-F125 HydrophobicContact CG2-CE2 4.04Å; I119-F125 HydrophobicContact CG2-CZ 4.13Å; F120-F125 HydrophobicContact CD1-CE2 4.42Å; F120-F125 HydrophobicContact CE1-CD2 4.41Å; F120-F125 HydrophobicContact CE1-CE2 4.38Å; A123-F125 HydrophobicContact CB-CE2 4.04Å; A123-F125 HydrophobicContact CB-CZ 4.01Å; F125-I128 HydrophobicContact CB-CD1 4.42Å; F125-I128 HydrophobicContact CB-CG1 3.89Å; F125-I128 HydrophobicContact CD2-CD1 4.29Å; F125-I128 HydrophobicContact CD2-CG1 4.37Å; F125-I128 HydrophobicContact CG-CG1 4.36Å; F125-S152 CarbonylContact C-O 3.56Å; F125-S152 PolarHBondContact N-O 3.45Å; F125-C153 VanDerWaalsContact O-CA 3.28Å; F125-C153 WeakPolarHBondContact O-CA 3.29Å
126	R	91.3	Very high	91.5	Very high	136 Å²	136	31.7 Å²	31.7	51%	0.513	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-54.3	168.7	-172.5	178.5	-180	160.5	0.2	107.4	R97 Y98 T154 D155	R97-R126 HydrophobicContact CB-CB 4.44Å; Y98-R126 WeakPolarHBondContact O-CB 3.45Å; Y98-R126 PolarHBondContact O-N 3.32Å; R126-T154 VanDerWaalsContact CG-OG1 3.29Å; R126-T154 WeakPolarHBondContact CG-OG1 3.46Å; R126-T154 PolarHBondContact O-N 3.14Å; R126-T154 VanDerWaalsContact O-N 3.08Å; R126-T154 PolarHBondContact O-OG1 3.48Å; R126-D155 WeakPolarHBondContact O-CB 3.41Å; R126-D155 PolarHBondContact O-N 3.37Å
127	V	95	Very high	91.3	Very high	31 Å²	31	32.9 Å²	32.9	19%	0.188	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.6	178.9	-174.7	0	0	0	0	111.1	S99 R100 L101 D155	S99-V127 PolarHBondContact O-N 3.46Å; R100-V127 CarbonylContact C-O 3.1Å; R100-V127 WeakPolarHBondContact CA-O 3.32Å; R100-V127 HydrophobicContact CB-CB 4.3Å; R100-V127 HydrophobicContact CG-CB 4.08Å; R100-V127 HydrophobicContact CG-CG1 4.15Å; L101-V127 PolarHBondContact N-O 3.04Å; V127-D155 CarbonylContact C-O 3.55Å; V127-D155 WeakPolarHBondContact CA-O 3.4Å; V127-D155 HydrophobicContact CB-CB 4.39Å; V127-D155 HydrophobicContact CG1-CB 4.48Å; V127-D155 HydrophobicContact CG2-CB 3.98Å
128	I	96.4	Very high	91.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.4	164.8	-65.6	179.1	0	0	0	108.2	L101 F120 F125 L130 L147 C153 D155 L156 S157	L101-I128 HydrophobicContact CB-CG1 4.48Å; L101-I128 CarbonylContact O-C 3.22Å; L101-I128 WeakPolarHBondContact O-CA 3.45Å; F120-I128 HydrophobicContact CD1-CD1 4.43Å; F120-I128 HydrophobicContact CE1-CD1 3.64Å; F120-I128 HydrophobicContact CZ-CD1 4.19Å; F125-I128 HydrophobicContact CB-CD1 4.42Å; F125-I128 HydrophobicContact CB-CG1 3.89Å; F125-I128 HydrophobicContact CD2-CD1 4.29Å; F125-I128 HydrophobicContact CD2-CG1 4.37Å; F125-I128 HydrophobicContact CG-CG1 4.36Å; I128-L130 HydrophobicContact CG2-CD1 3.93Å; I128-L130 HydrophobicContact CG2-CD2 4.47Å; I128-L130 HydrophobicContact CG2-CG 3.85Å; I128-L147 HydrophobicContact CD1-CD2 3.72Å; I128-C153 HydrophobicContact CB-CB 4.23Å; I128-C153 HydrophobicContact CD1-CB 3.65Å; I128-C153 HydrophobicContact CG1-CB 3.77Å; I128-D155 PolarHBondContact N-O 2.99Å; I128-L156 HydrophobicContact CB-CD1 4.05Å; I128-L156 HydrophobicContact CG2-CD1 3.88Å; I128-L156 WeakPolarHBondContact O-CA 3.39Å; I128-S157 PolarHBondContact O-N 2.85Å
129	D	96.6	Very high	91.4	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	108.7	-177.3	178	8.5	0	0	0	110.8	R100 L101 S102 L103 E131	R100-D129 IonicContact CZ-OD2 2.88Å; R100-D129 IonicContact NH2-OD2 2.64Å; R100-D129 PolarHBondContact NH2-OD2 3.01Å; L101-D129 PolarHBondContact O-N 3.3Å; S102-D129 WeakPolarHBondContact CA-O 3.44Å; S102-D129 PolarHBondContact OG-OD2 2.8Å; L103-D129 PolarHBondContact N-O 2.79Å; D129-E131 PolarHBondContact OD1-N 3.33Å
130	L	96.5	Very high	91.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	27.5	-177.9	-59.7	174	0	0	0	111	L103 L108 I128 T133 L143 S157 I158	L103-L130 HydrophobicContact CB-CD2 3.95Å; L103-L130 HydrophobicContact CD1-CD2 4.12Å; L103-L130 HydrophobicContact CG-CD2 4.34Å; L108-L130 HydrophobicContact CD1-CD2 4.03Å; I128-L130 HydrophobicContact CG2-CD1 3.93Å; I128-L130 HydrophobicContact CG2-CD2 4.47Å; I128-L130 HydrophobicContact CG2-CG 3.85Å; L130-T133 HydrophobicContact CB-CG2 4.01Å; L130-T133 HydrophobicContact CD2-CG2 4.23Å; L130-T133 WeakPolarHBondContact O-CG2 3.44Å; L130-T133 PolarHBondContact O-OG1 2.74Å; L130-L143 HydrophobicContact CD1-CD1 4.36Å; L130-L143 HydrophobicContact CD1-CD2 3.45Å; L130-L143 VanDerWaalsContact CD1-CD2 3.45Å; L130-L143 HydrophobicContact CD1-CG 4.5Å; L130-S157 PolarHBondContact N-O 2.97Å; L130-I158 HydrophobicContact CB-CG1 4.19Å; L130-I158 HydrophobicContact CD1-CD1 4.49Å
131	E	95.4	Very high	91.7	Very high	21 Å²	21	32.7 Å²	32.7	10%	0.098	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	139.4	173.9	-75.6	178.9	-151	0	0	111.3	R104 G105 D129 T133 S157	R104-E131 VanDerWaalsContact CA-O 3.32Å; R104-E131 WeakPolarHBondContact CA-O 3.5Å; R104-E131 HydrophobicContact CG-CB 4.14Å; R104-E131 IonicContact CZ-OE2 3.08Å; R104-E131 IonicContact NE-OE2 2.84Å; R104-E131 IonicContact NH1-OE1 2.84Å; R104-E131 IonicContact NH1-OE2 3.74Å; R104-E131 PolarHBondContact NH1-OE2 3.07Å; R104-E131 IonicContact NH2-OE2 3.93Å; R104-E131 PolarHBondContact NH2-OE2 2.99Å; G105-E131 PolarHBondContact N-O 3.34Å; D129-E131 PolarHBondContact OD1-N 3.33Å; E131-T133 PolarHBondContact O-N 3.04Å; E131-T133 VanDerWaalsContact O-N 3.17Å; E131-S157 VanDerWaalsContact CD-OG 3.3Å; E131-S157 VanDerWaalsContact CG-OG 3.26Å; E131-S157 WeakPolarHBondContact CG-OG 3.32Å; E131-S157 PolarHBondContact OE1-OG 2.91Å
132	N	94.2	Very high	92.1	Very high	52 Å²	52	31 Å²	31	28%	0.278	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.2	34.1	178.7	-62	-27.5	0	0	0	114.5	G105 F134 S159 H191	G105-N132 WeakPolarHBondContact CA-O 3.44Å; N132-F134 VanDerWaalsContact C-N 3.35Å; N132-F134 WeakPolarHBondContact O-CD2 3.27Å; N132-F134 VanDerWaalsContact O-CE2 3.23Å; N132-F134 WeakPolarHBondContact O-CE2 3.43Å; N132-S159 PolarHBondContact N-OG 2.72Å; N132-H191 PolarHBondContact OD1-CD2 3.31Å
133	T	94.5	Very high	92.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-4.7	175.9	51.5	0	0	0	0	114.1	L103 I106 R107 L108 L130 E131 L135	L103-T133 HydrophobicContact CB-CG2 4.44Å; L103-T133 VanDerWaalsContact O-CG2 3.23Å; L103-T133 WeakPolarHBondContact O-CG2 3.43Å; I106-T133 WeakPolarHBondContact O-CA 3.47Å; I106-T133 WeakPolarHBondContact O-CB 3.23Å; I106-T133 WeakPolarHBondContact O-CG2 3.46Å; R107-T133 WeakPolarHBondContact CA-O 3.38Å; L108-T133 HydrophobicContact CD1-CG2 3.84Å; L108-T133 HydrophobicContact CG-CG2 4.21Å; L108-T133 PolarHBondContact N-O 3.41Å; L130-T133 HydrophobicContact CB-CG2 4.01Å; L130-T133 HydrophobicContact CD2-CG2 4.23Å; L130-T133 WeakPolarHBondContact O-CG2 3.44Å; L130-T133 PolarHBondContact O-OG1 2.74Å; E131-T133 PolarHBondContact O-N 3.04Å; E131-T133 VanDerWaalsContact O-N 3.17Å; T133-L135 VanDerWaalsContact C-N 3.31Å; T133-L135 PolarHBondContact O-N 2.77Å; T133-L135 WeakPolarHBondContact OG1-CG 3.05Å
134	F	91	Very high	93.2	Very high	107 Å²	107	28.2 Å²	28.2	47%	0.469	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.7	36.7	178.2	-56.4	-88.5	0	0	0	114.7	R107 N132 D136	R107-F134 HydrophobicContact CG-CB 4.31Å; N132-F134 VanDerWaalsContact C-N 3.35Å; N132-F134 WeakPolarHBondContact O-CD2 3.27Å; N132-F134 VanDerWaalsContact O-CE2 3.23Å; N132-F134 WeakPolarHBondContact O-CE2 3.43Å; F134-D136 PolarHBondContact O-N 2.98Å
135	L	91.8	Very high	93.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	128.8	177.1	-65.8	168.3	0	0	0	111	L108 I113 T133 A140 L143 I158 N161	L108-L135 HydrophobicContact CB-CD2 3.71Å; L108-L135 HydrophobicContact CD1-CD2 4.37Å; I113-L135 HydrophobicContact CD1-CD2 3.84Å; I113-L135 HydrophobicContact CG1-CD2 3.77Å; T133-L135 VanDerWaalsContact C-N 3.31Å; T133-L135 PolarHBondContact O-N 2.77Å; T133-L135 WeakPolarHBondContact OG1-CG 3.05Å; L135-A140 HydrophobicContact CB-CB 4.27Å; L135-L143 HydrophobicContact CD1-CD2 3.86Å; L135-I158 HydrophobicContact CD1-CD1 3.8Å; L135-I158 HydrophobicContact CD1-CG1 4.21Å; L135-N161 WeakPolarHBondContact O-CB 3.21Å; L135-N161 PolarHBondContact O-N 3.02Å
136	D	90	Very high	93.6	Very high	75 Å²	75	30.7 Å²	30.7	40%	0.401	15%	0.148	S	C	.	.			trans	-73.6	166.2	167.4	69	6.8	0	0	0	110.9	F134 Q138 S139 A140	F134-D136 PolarHBondContact O-N 2.98Å; D136-Q138 PolarHBondContact O-N 2.84Å; D136-S139 PolarHBondContact N-OG 3.1Å; D136-S139 VanDerWaalsContact N-OG 3.14Å; D136-S139 PolarHBondContact O-N 3.23Å; D136-S139 PolarHBondContact O-OG 3.35Å; D136-S139 WeakPolarHBondContact OD1-CA 3.46Å; D136-S139 WeakPolarHBondContact OD1-CB 3.38Å; D136-S139 PolarHBondContact OD1-N 3.39Å; D136-S139 PolarHBondContact OD1-OG 2.96Å; D136-A140 WeakPolarHBondContact O-CB 3.43Å; D136-A140 PolarHBondContact O-N 3.31Å
137	E	90	Very high	93.7	Very high	26 Å²	26	24.2 Å²	24.2	12%	0.121	12%	0.124	C	C	.	.	H	α-helix	trans	-60.7	-33.7	-175.2	-178	160.7	-147	0	0	113.3	S141 N163 S168 Q169 A170	E137-S141 WeakPolarHBondContact O-CB 3.46Å; E137-S141 PolarHBondContact O-N 3.32Å; E137-S141 VanDerWaalsContact O-N 3.1Å; E137-S141 PolarHBondContact O-OG 2.86Å; E137-N163 WeakPolarHBondContact OE2-CB 3.44Å; E137-N163 PolarHBondContact OE2-ND2 2.93Å; E137-S168 WeakPolarHBondContact OE1-CA 3.44Å; E137-S168 WeakPolarHBondContact OE1-CB 3.4Å; E137-S168 PolarHBondContact OE1-OG 3.21Å; E137-Q169 HydrophobicContact CG-CB 4.48Å; E137-Q169 PolarHBondContact OE1-N 3.38Å; E137-A170 HydrophobicContact CB-CB 4.46Å; E137-A170 HydrophobicContact CG-CB 3.85Å
138	Q	90.4	Very high	93.6	Very high	80 Å²	80	24 Å²	24	37%	0.374	12%	0.121	S	C	.	.	H	α-helix	trans	-75	-45.6	-179.9	-172.4	60.4	39.5	0	0	111.8	D136 S141 S142	D136-Q138 PolarHBondContact O-N 2.84Å; Q138-S141 PolarHBondContact O-N 3.29Å; Q138-S142 PolarHBondContact O-N 3.14Å; Q138-S142 PolarHBondContact O-OG 2.98Å
139	S	92.4	Very high	93.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-42.1	177.1	61.1	0	0	0	0	111.5	D136 S141 S142 L143	D136-S139 PolarHBondContact N-OG 3.1Å; D136-S139 VanDerWaalsContact N-OG 3.14Å; D136-S139 PolarHBondContact O-N 3.23Å; D136-S139 PolarHBondContact O-OG 3.35Å; D136-S139 WeakPolarHBondContact OD1-CA 3.46Å; D136-S139 WeakPolarHBondContact OD1-CB 3.38Å; D136-S139 PolarHBondContact OD1-N 3.39Å; D136-S139 PolarHBondContact OD1-OG 2.96Å; S139-S141 VanDerWaalsContact C-N 3.33Å; S139-S141 PolarHBondContact O-N 3.08Å; S139-S142 PolarHBondContact O-N 3.27Å; S139-L143 VanDerWaalsContact O-CB 3.32Å; S139-L143 WeakPolarHBondContact O-CB 3.48Å; S139-L143 PolarHBondContact O-N 3.34Å
140	A	94.7	Very high	92.9	Very high	1 Å²	1	30 Å²	30	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-60.9	-42	173.9	0	0	0	0	0	111.9	L135 D136 L143 F144 L160 A170	L135-A140 HydrophobicContact CB-CB 4.27Å; D136-A140 WeakPolarHBondContact O-CB 3.43Å; D136-A140 PolarHBondContact O-N 3.31Å; A140-L143 WeakPolarHBondContact O-CB 3.47Å; A140-L143 PolarHBondContact O-N 3.22Å; A140-F144 HydrophobicContact CB-CE2 4.3Å; A140-F144 WeakPolarHBondContact O-CD2 3.36Å; A140-F144 PolarHBondContact O-N 3.38Å; A140-L160 HydrophobicContact CB-CD2 3.65Å; A140-A170 HydrophobicContact CB-CB 3.8Å
141	S	93.1	Very high	92.6	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.014	15%	0.151	C	C	.	.	H	α-helix	trans	-61.7	-47.8	177.3	-62.8	0	0	0	0	112.2	E137 Q138 S139 L143 F144 D145 A170	E137-S141 WeakPolarHBondContact O-CB 3.46Å; E137-S141 PolarHBondContact O-N 3.32Å; E137-S141 VanDerWaalsContact O-N 3.1Å; E137-S141 PolarHBondContact O-OG 2.86Å; Q138-S141 PolarHBondContact O-N 3.29Å; S139-S141 VanDerWaalsContact C-N 3.33Å; S139-S141 PolarHBondContact O-N 3.08Å; S141-L143 VanDerWaalsContact C-N 3.33Å; S141-L143 PolarHBondContact O-N 3.03Å; S141-F144 PolarHBondContact O-N 3.13Å; S141-D145 PolarHBondContact O-N 3.09Å; S141-A170 WeakPolarHBondContact OG-CA 3.45Å; S141-A170 PolarHBondContact OG-N 3.13Å
142	S	93.6	Very high	92.3	Very high	24 Å²	24	29.8 Å²	29.8	17%	0.168	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-41	176.3	-62	0	0	0	0	111.7	Q138 S139 F144 D145 M146	Q138-S142 PolarHBondContact O-N 3.14Å; Q138-S142 PolarHBondContact O-OG 2.98Å; S139-S142 PolarHBondContact O-N 3.27Å; S142-F144 PolarHBondContact O-N 3.2Å; S142-D145 PolarHBondContact O-N 3.32Å; S142-M146 WeakPolarHBondContact O-CG 3.34Å; S142-M146 PolarHBondContact O-N 3.42Å
143	L	96.2	Very high	92.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.4	-48.2	177	176.5	65.6	0	0	0	111.9	I113 F120 L130 L135 S139 A140 S141 D145 M146 L147 I158	I113-L143 HydrophobicContact CD1-CD1 4.33Å; I113-L143 HydrophobicContact CG2-CB 3.85Å; I113-L143 HydrophobicContact CG2-CD1 4.43Å; F120-L143 HydrophobicContact CE2-CD1 3.98Å; F120-L143 HydrophobicContact CZ-CD1 4.48Å; L130-L143 HydrophobicContact CD1-CD1 4.36Å; L130-L143 HydrophobicContact CD1-CD2 3.45Å; L130-L143 VanDerWaalsContact CD1-CD2 3.45Å; L130-L143 HydrophobicContact CD1-CG 4.5Å; L135-L143 HydrophobicContact CD1-CD2 3.86Å; S139-L143 VanDerWaalsContact O-CB 3.32Å; S139-L143 WeakPolarHBondContact O-CB 3.48Å; S139-L143 PolarHBondContact O-N 3.34Å; A140-L143 WeakPolarHBondContact O-CB 3.47Å; A140-L143 PolarHBondContact O-N 3.22Å; S141-L143 VanDerWaalsContact C-N 3.33Å; S141-L143 PolarHBondContact O-N 3.03Å; L143-D145 VanDerWaalsContact C-N 3.31Å; L143-D145 PolarHBondContact O-N 3.05Å; L143-M146 HydrophobicContact CD1-CE 4.43Å; L143-M146 PolarHBondContact O-N 3.46Å; L143-L147 HydrophobicContact CD1-CD1 3.99Å; L143-L147 HydrophobicContact CD1-CD2 4.44Å; L143-L147 HydrophobicContact CD1-CG 3.95Å; L143-L147 HydrophobicContact CD2-CD1 4.48Å; L143-L147 HydrophobicContact CG-CD1 3.9Å; L143-L147 HydrophobicContact CG-CG 4.25Å; L143-L147 WeakPolarHBondContact O-CB 3.19Å; L143-L147 WeakPolarHBondContact O-CG 3.37Å; L143-L147 PolarHBondContact O-N 3.42Å; L143-I158 HydrophobicContact CD2-CD1 3.83Å
144	F	95.7	Very high	92.1	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-64.5	-35.2	179.6	-70	-55.7	0	0	0	112.9	A140 S141 S142 L148 L156 I158 L160 R173 C174 F177	A140-F144 HydrophobicContact CB-CE2 4.3Å; A140-F144 WeakPolarHBondContact O-CD2 3.36Å; A140-F144 PolarHBondContact O-N 3.38Å; S141-F144 PolarHBondContact O-N 3.13Å; S142-F144 PolarHBondContact O-N 3.2Å; F144-L148 VanDerWaalsContact O-CB 3.23Å; F144-L148 WeakPolarHBondContact O-CB 3.36Å; F144-L148 PolarHBondContact O-N 3.4Å; F144-L156 HydrophobicContact CE1-CD2 4.01Å; F144-I158 HydrophobicContact CE1-CD1 4.32Å; F144-I158 HydrophobicContact CZ-CD1 3.98Å; F144-L160 HydrophobicContact CE2-CD1 4.24Å; F144-L160 HydrophobicContact CE2-CD2 4.12Å; F144-L160 HydrophobicContact CZ-CD1 4.22Å; F144-L160 HydrophobicContact CZ-CD2 4.16Å; F144-R173 HydrophobicContact CB-CB 3.99Å; F144-R173 HydrophobicContact CD2-CB 4.11Å; F144-R173 HydrophobicContact CG-CB 4.44Å; F144-C174 HydrophobicContact CD1-CB 4.46Å; F144-C174 HydrophobicContact CD2-CB 4Å; F144-C174 HydrophobicContact CE1-CB 4Å; F144-C174 HydrophobicContact CE2-CB 3.49Å; F144-C174 VanDerWaalsContact CE2-CB 3.49Å; F144-C174 HydrophobicContact CG-CB 4.48Å; F144-C174 HydrophobicContact CZ-CB 3.49Å; F144-C174 VanDerWaalsContact CZ-CB 3.49Å; F144-C174 WeakPolarHBondContact CZ-SG 3.3Å; F144-F177 HydrophobicContact CB-CB 4.33Å; F144-F177 HydrophobicContact CD1-CB 4.16Å; F144-F177 AromaticContact CD1-CD1 3.93Å; F144-F177 HydrophobicContact CD1-CD1 3.93Å; F144-F177 HydrophobicContact CD1-CG 4.2Å; F144-F177 HydrophobicContact CE1-CD1 4.33Å
145	D	93.4	Very high	92.4	Very high	72 Å²	72	24 Å²	24	39%	0.385	12%	0.121	S	C	.	.	H	α-helix	trans	-64.7	-44.5	175.4	-70	-12.7	0	0	0	110.7	S141 S142 L143 L148 H149 R173	S141-D145 PolarHBondContact O-N 3.09Å; S142-D145 PolarHBondContact O-N 3.32Å; L143-D145 VanDerWaalsContact C-N 3.31Å; L143-D145 PolarHBondContact O-N 3.05Å; D145-L148 PolarHBondContact O-N 2.7Å; D145-H149 WeakPolarHBondContact O-CB 3.41Å; D145-H149 PolarHBondContact O-N 3.41Å; D145-R173 IonicContact OD1-CZ 3.87Å; D145-R173 IonicContact OD1-NH1 3.18Å; D145-R173 PolarHBondContact OD1-NH1 3.35Å; D145-R173 IonicContact OD2-CZ 3.87Å; D145-R173 IonicContact OD2-NH1 3.46Å; D145-R173 PolarHBondContact OD2-NH1 2.96Å
146	M	93.1	Very high	92.6	Very high	14 Å²	14	24.1 Å²	24.1	7%	0.069	12%	0.122	C	C	.	.	H	α-helix	trans	-64.6	-49.9	176.4	-68.3	-175.6	-63.4	0	0	112.3	I113 E117 S142 L143 L148 H149 Y150	I113-M146 HydrophobicContact CG2-CE 3.24Å; I113-M146 WeakPolarHBondContact O-CE 3.4Å; E117-M146 HydrophobicContact CB-SD 3.44Å; E117-M146 WeakPolarHBondContact CB-SD 3.25Å; E117-M146 HydrophobicContact CG-CG 4.2Å; E117-M146 HydrophobicContact CG-SD 3.59Å; E117-M146 VanDerWaalsContact CG-SD 3.59Å; S142-M146 WeakPolarHBondContact O-CG 3.34Å; S142-M146 PolarHBondContact O-N 3.42Å; L143-M146 HydrophobicContact CD1-CE 4.43Å; L143-M146 PolarHBondContact O-N 3.46Å; M146-L148 PolarHBondContact O-N 3.25Å; M146-H149 PolarHBondContact O-N 3.12Å; M146-Y150 HydrophobicContact CB-CD2 4.43Å; M146-Y150 HydrophobicContact CB-CE2 4.47Å; M146-Y150 WeakPolarHBondContact O-CD2 3.42Å; M146-Y150 PolarHBondContact O-N 3.12Å
147	L	94.3	Very high	93	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.4	-36.2	179.2	-70.1	178.4	0	0	0	111.9	F120 I128 L143 E151 S152 L156 F177	F120-L147 HydrophobicContact CD1-CD2 4.47Å; F120-L147 HydrophobicContact CD2-CD2 4.47Å; F120-L147 HydrophobicContact CE1-CD2 4.19Å; F120-L147 HydrophobicContact CE2-CD2 4.17Å; F120-L147 HydrophobicContact CZ-CD2 4.02Å; I128-L147 HydrophobicContact CD1-CD2 3.72Å; L143-L147 HydrophobicContact CD1-CD1 3.99Å; L143-L147 HydrophobicContact CD1-CD2 4.44Å; L143-L147 HydrophobicContact CD1-CG 3.95Å; L143-L147 HydrophobicContact CD2-CD1 4.48Å; L143-L147 HydrophobicContact CG-CD1 3.9Å; L143-L147 HydrophobicContact CG-CG 4.25Å; L143-L147 WeakPolarHBondContact O-CB 3.19Å; L143-L147 WeakPolarHBondContact O-CG 3.37Å; L143-L147 PolarHBondContact O-N 3.42Å; L147-E151 VanDerWaalsContact O-CA 3.27Å; L147-E151 WeakPolarHBondContact O-CA 3.46Å; L147-E151 PolarHBondContact O-N 3.15Å; L147-S152 PolarHBondContact O-N 3.1Å; L147-L156 HydrophobicContact CD1-CD1 4.27Å; L147-L156 HydrophobicContact CD1-CD2 4.02Å; L147-F177 HydrophobicContact CB-CD2 4.34Å; L147-F177 HydrophobicContact CB-CE2 3.82Å; L147-F177 HydrophobicContact CB-CZ 4.07Å
148	L	91.5	Very high	93.3	Very high	26 Å²	26	19.9 Å²	19.9	14%	0.136	10%	0.101	C	C	.	.	H	α-helix	trans	-70.7	-40.4	175.2	-175.3	56.3	0	0	0	112.1	F144 D145 M146 F177 K180 R247	F144-L148 VanDerWaalsContact O-CB 3.23Å; F144-L148 WeakPolarHBondContact O-CB 3.36Å; F144-L148 PolarHBondContact O-N 3.4Å; D145-L148 PolarHBondContact O-N 2.7Å; M146-L148 PolarHBondContact O-N 3.25Å; L148-F177 HydrophobicContact CB-CD2 3.83Å; L148-F177 HydrophobicContact CD1-CD2 4.11Å; L148-K180 HydrophobicContact CD1-CB 3.81Å; L148-K180 HydrophobicContact CD2-CB 4.16Å; L148-K180 HydrophobicContact CD2-CD 4.38Å; L148-R247 PolarHBondContact O-NH2 2.84Å
149	H	90.6	Very high	93.6	Very high	91 Å²	91	16.4 Å²	16.4	42%	0.421	9%	0.085	S	C	.	.	H	α-helix	trans	-63.5	-50.8	-178.4	-173.5	83.2	0	0	0	111.2	F51 D145 M146	F51-H149 AromaticContact CE1-CE1 3.49Å; F51-H149 VanDerWaalsContact CE1-CE1 3.49Å; F51-H149 WeakPolarHBondContact CE1-CE1 3.24Å; F51-H149 AromaticContact CZ-CE1 3.94Å; D145-H149 WeakPolarHBondContact O-CB 3.41Å; D145-H149 PolarHBondContact O-N 3.41Å; M146-H149 PolarHBondContact O-N 3.12Å
150	Y	89.5	Confident	93.6	Very high	39 Å²	39	16.7 Å²	16.7	15%	0.153	9%	0.087	C	C	.	.	H	α-helix	trans	-89.2	-7.4	-176.6	-58.2	-70.6	0	0	0	113.9	E117 F120 Q121 H124 M146 S152	E117-Y150 HydrophobicContact CG-CE2 3.76Å; E117-Y150 PolarHBondContact OE1-OH 2.55Å; F120-Y150 HydrophobicContact CB-CD2 3.96Å; F120-Y150 HydrophobicContact CB-CG 4.4Å; F120-Y150 WeakPolarHBondContact O-CB 3.37Å; Q121-Y150 HydrophobicContact CB-CD1 4.45Å; Q121-Y150 HydrophobicContact CB-CE1 3.87Å; Q121-Y150 HydrophobicContact CG-CE1 3.88Å; H124-Y150 PolarHBondContact NE2-O 3.46Å; M146-Y150 HydrophobicContact CB-CD2 4.43Å; M146-Y150 HydrophobicContact CB-CE2 4.47Å; M146-Y150 WeakPolarHBondContact O-CD2 3.42Å; M146-Y150 PolarHBondContact O-N 3.12Å; Y150-S152 WeakPolarHBondContact CB-OG 3.41Å; Y150-S152 PolarHBondContact O-N 3.08Å
151	E	88.9	Confident	93.3	Very high	15 Å²	15	21.3 Å²	21.3	7%	0.07	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	42.4	-174.3	-64.3	-73.9	171.8	0	0	112.4	R97 L147 C153 S181 S182 A183 R247	R97-E151 VanDerWaalsContact CZ-O 3.27Å; R97-E151 PolarHBondContact NH1-O 3.32Å; R97-E151 PolarHBondContact NH2-O 2.74Å; L147-E151 VanDerWaalsContact O-CA 3.27Å; L147-E151 WeakPolarHBondContact O-CA 3.46Å; L147-E151 PolarHBondContact O-N 3.15Å; E151-C153 VanDerWaalsContact C-N 3.28Å; E151-C153 PolarHBondContact O-N 3.27Å; E151-C153 VanDerWaalsContact O-N 3.13Å; E151-S181 WeakPolarHBondContact OE1-CA 3.47Å; E151-S181 WeakPolarHBondContact OE2-CA 3.46Å; E151-S181 WeakPolarHBondContact OE2-CB 3.41Å; E151-S181 PolarHBondContact OE2-OG 3.5Å; E151-S182 PolarHBondContact OE1-N 3.14Å; E151-S182 VanDerWaalsContact OE1-N 3.08Å; E151-S182 PolarHBondContact OE2-N 3.44Å; E151-A183 HydrophobicContact CB-CB 4.28Å; E151-A183 PolarHBondContact OE2-N 3.04Å; E151-R247 IonicContact OE1-CZ 3.99Å; E151-R247 IonicContact OE1-NH2 2.74Å; E151-R247 PolarHBondContact OE1-NH2 2.96Å
152	S	89.4	Confident	93	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.			trans	-66.8	-20.1	-163.4	-45.8	0	0	0	0	114.8	R97 F125 L147 Y150	R97-S152 VanDerWaalsContact NH1-C 3.25Å; R97-S152 PolarHBondContact NH1-O 2.9Å; F125-S152 CarbonylContact C-O 3.56Å; F125-S152 PolarHBondContact N-O 3.45Å; L147-S152 PolarHBondContact O-N 3.1Å; Y150-S152 WeakPolarHBondContact CB-OG 3.41Å; Y150-S152 PolarHBondContact O-N 3.08Å
153	C	92.9	Very high	92	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.			trans	-139	152.1	-176	62	0	0	0	0	115.7	F125 I128 E151	F125-C153 VanDerWaalsContact O-CA 3.28Å; F125-C153 WeakPolarHBondContact O-CA 3.29Å; I128-C153 HydrophobicContact CB-CB 4.23Å; I128-C153 HydrophobicContact CD1-CB 3.65Å; I128-C153 HydrophobicContact CG1-CB 3.77Å; E151-C153 VanDerWaalsContact C-N 3.28Å; E151-C153 PolarHBondContact O-N 3.27Å; E151-C153 VanDerWaalsContact O-N 3.13Å
154	T	91.7	Very high	90.7	Very high	18 Å²	18	34.1 Å²	34.1	11%	0.11	17%	0.169	C	C	.	.	S	Bend	trans	-95.8	-25	166.5	60.5	0	0	0	0	112.3	R126 R185 R186	R126-T154 VanDerWaalsContact CG-OG1 3.29Å; R126-T154 WeakPolarHBondContact CG-OG1 3.46Å; R126-T154 PolarHBondContact O-N 3.14Å; R126-T154 VanDerWaalsContact O-N 3.08Å; R126-T154 PolarHBondContact O-OG1 3.48Å; T154-R185 PolarHBondContact O-N 3.1Å; T154-R186 PolarHBondContact O-N 3.37Å; T154-R186 VanDerWaalsContact O-N 3.1Å
155	D	96.2	Very high	89.3	Confident	19 Å²	19	38.9 Å²	38.9	10%	0.102	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	118.9	-176.3	-61	-127.9	0	0	0	108.1	R126 V127 I128 R186	R126-D155 WeakPolarHBondContact O-CB 3.41Å; R126-D155 PolarHBondContact O-N 3.37Å; V127-D155 CarbonylContact C-O 3.55Å; V127-D155 WeakPolarHBondContact CA-O 3.4Å; V127-D155 HydrophobicContact CB-CB 4.39Å; V127-D155 HydrophobicContact CG1-CB 4.48Å; V127-D155 HydrophobicContact CG2-CB 3.98Å; I128-D155 PolarHBondContact N-O 2.99Å; D155-R186 WeakPolarHBondContact CA-O 3.48Å; D155-R186 HydrophobicContact CB-CB 4.29Å; D155-R186 WeakPolarHBondContact OD1-CD 3.15Å; D155-R186 WeakPolarHBondContact OD1-CG 3.31Å; D155-R186 IonicContact OD1-CZ 3.85Å; D155-R186 IonicContact OD1-NE 3.95Å; D155-R186 PolarHBondContact OD1-NE 2.9Å; D155-R186 IonicContact OD1-NH1 3.87Å; D155-R186 PolarHBondContact OD1-NH1 2.83Å
156	L	97.2	Very high	88.2	Confident	3 Å²	3	38 Å²	38	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.8	177.3	178.4	63.3	0	0	0	109.9	I128 F144 L147 I158 F177 L184 R186 F187 T188	I128-L156 HydrophobicContact CB-CD1 4.05Å; I128-L156 HydrophobicContact CG2-CD1 3.88Å; I128-L156 WeakPolarHBondContact O-CA 3.39Å; F144-L156 HydrophobicContact CE1-CD2 4.01Å; L147-L156 HydrophobicContact CD1-CD1 4.27Å; L147-L156 HydrophobicContact CD1-CD2 4.02Å; L156-I158 HydrophobicContact CG-CB 4.48Å; L156-I158 HydrophobicContact CG-CG2 4.48Å; L156-F177 HydrophobicContact CD2-CD1 4.25Å; L156-F177 HydrophobicContact CD2-CE1 3.61Å; L156-F177 HydrophobicContact CD2-CZ 4.47Å; L156-L184 HydrophobicContact CB-CD1 3.98Å; L156-R186 PolarHBondContact N-O 2.99Å; L156-F187 HydrophobicContact CB-CD2 4.22Å; L156-F187 HydrophobicContact CD2-CD2 4.16Å; L156-F187 HydrophobicContact CD2-CE2 3.91Å; L156-F187 HydrophobicContact CG-CD2 4.34Å; L156-F187 HydrophobicContact CG-CE2 4.31Å; L156-F187 WeakPolarHBondContact O-CA 3.4Å; L156-T188 PolarHBondContact O-N 3.35Å
157	S	97.4	Very high	87.3	Confident	12 Å²	12	42.7 Å²	42.7	8%	0.084	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.8	163.5	-157.9	0	0	0	0	110.4	I128 L130 E131 T188	I128-S157 PolarHBondContact O-N 2.85Å; L130-S157 PolarHBondContact N-O 2.97Å; E131-S157 VanDerWaalsContact CD-OG 3.3Å; E131-S157 VanDerWaalsContact CG-OG 3.26Å; E131-S157 WeakPolarHBondContact CG-OG 3.32Å; E131-S157 PolarHBondContact OE1-OG 2.91Å; S157-T188 WeakPolarHBondContact CA-O 3.34Å; S157-T188 WeakPolarHBondContact OG-CB 3.48Å
158	I	97	Very high	86.9	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	149.6	-174.6	-167.7	163.7	0	0	0	112.5	L130 L135 L143 F144 L156 L160 F187 T188 L189 S190	L130-I158 HydrophobicContact CB-CG1 4.19Å; L130-I158 HydrophobicContact CD1-CD1 4.49Å; L135-I158 HydrophobicContact CD1-CD1 3.8Å; L135-I158 HydrophobicContact CD1-CG1 4.21Å; L143-I158 HydrophobicContact CD2-CD1 3.83Å; F144-I158 HydrophobicContact CE1-CD1 4.32Å; F144-I158 HydrophobicContact CZ-CD1 3.98Å; L156-I158 HydrophobicContact CG-CB 4.48Å; L156-I158 HydrophobicContact CG-CG2 4.48Å; I158-L160 HydrophobicContact CD1-CD2 3.8Å; I158-L160 HydrophobicContact CG1-CD2 4Å; I158-F187 HydrophobicContact CG2-CE2 3.86Å; I158-F187 HydrophobicContact CG2-CZ 3.92Å; I158-T188 PolarHBondContact N-O 3.24Å; I158-L189 HydrophobicContact CG2-CD1 4.03Å; I158-L189 WeakPolarHBondContact O-CA 3.18Å; I158-S190 PolarHBondContact O-N 3.17Å
159	S	95.7	Very high	86.8	Confident	7 Å²	7	46 Å²	46	5%	0.049	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.9	166.1	-57.4	0	0	0	0	110	N132 S190	N132-S159 PolarHBondContact N-OG 2.72Å; S159-S190 VanDerWaalsContact CA-O 3.26Å; S159-S190 WeakPolarHBondContact CA-O 3.46Å; S159-S190 WeakPolarHBondContact CB-O 3.36Å; S159-S190 PolarHBondContact OG-O 2.69Å
160	L	92.6	Very high	86.8	Confident	6 Å²	6	41.7 Å²	41.7	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.2	-178.9	-58.8	175.4	0	0	0	110.4	A140 F144 I158 L162 W171 L189 T192	A140-L160 HydrophobicContact CB-CD2 3.65Å; F144-L160 HydrophobicContact CE2-CD1 4.24Å; F144-L160 HydrophobicContact CE2-CD2 4.12Å; F144-L160 HydrophobicContact CZ-CD1 4.22Å; F144-L160 HydrophobicContact CZ-CD2 4.16Å; I158-L160 HydrophobicContact CD1-CD2 3.8Å; I158-L160 HydrophobicContact CG1-CD2 4Å; L160-L162 HydrophobicContact CB-CD2 3.85Å; L160-L162 HydrophobicContact CB-CG 4.24Å; L160-L162 HydrophobicContact CD1-CD2 4.21Å; L160-L162 PolarHBondContact O-N 2.79Å; L160-W171 HydrophobicContact CD1-CE3 4.1Å; L160-L189 HydrophobicContact CD1-CD1 3.95Å; L160-L189 HydrophobicContact CG-CD1 4.03Å; L160-T192 HydrophobicContact CB-CG2 3.79Å; L160-T192 PolarHBondContact N-OG1 2.9Å; L160-T192 WeakPolarHBondContact O-CG2 3.13Å; L160-T192 PolarHBondContact O-OG1 3.01Å
161	N	90.1	Very high	86.9	Confident	99 Å²	99	40 Å²	40	53%	0.529	21%	0.213	S	C	.	.			trans	-91.7	85.8	169.5	-168.2	0.7	0	0	0	109.3	L135 N163	L135-N161 WeakPolarHBondContact O-CB 3.21Å; L135-N161 PolarHBondContact O-N 3.02Å; N161-N163 PolarHBondContact O-N 2.84Å
162	L	85.3	Confident	86.9	Confident	24 Å²	24	41.9 Å²	41.9	13%	0.126	23%	0.228	C	C	.	.			trans	-72.6	127.5	-178.6	-55.5	179.7	0	0	0	110.3	L160 A170 W171 T192 L194	L160-L162 HydrophobicContact CB-CD2 3.85Å; L160-L162 HydrophobicContact CB-CG 4.24Å; L160-L162 HydrophobicContact CD1-CD2 4.21Å; L160-L162 PolarHBondContact O-N 2.79Å; L162-A170 HydrophobicContact CD2-CB 4.43Å; L162-W171 HydrophobicContact CD2-CB 4.33Å; L162-T192 HydrophobicContact CD1-CG2 3.68Å; L162-T192 HydrophobicContact CG-CG2 3.85Å; L162-L194 HydrophobicContact CD1-CD2 4.02Å
163	N	73.4	Confident	87	Confident	78 Å²	78	45.4 Å²	45.4	42%	0.417	24%	0.242	S	C	.	.			trans	-63.3	156	174.5	-73.2	-36	0	0	0	111.2	E137 N161 T165	E137-N163 WeakPolarHBondContact OE2-CB 3.44Å; E137-N163 PolarHBondContact OE2-ND2 2.93Å; N161-N163 PolarHBondContact O-N 2.84Å; N163-T165 PolarHBondContact O-N 3.43Å
164	K	69.3	Low	87.1	Confident	193 Å²	193	45.4 Å²	45.4	84%	0.839	24%	0.242	S	C	*	.	S	Bend	trans	-68.6	-16.1	176.6	-66.4	-178.3	-179.5	178.5	0	113.3	L166	K164-L166 PolarHBondContact O-N 2.83Å
165	T	65.5	Low	87	Confident	101 Å²	101	44.8 Å²	44.8	62%	0.62	24%	0.238	S	C	*	.	S	Bend	trans	-82.2	108.2	179.5	49.3	0	0	0	0	109.8	N163	N163-T165 PolarHBondContact O-N 3.43Å
166	L	71.1	Confident	86.7	Confident	53 Å²	53	45.6 Å²	45.6	28%	0.277	24%	0.242	S	C	.	.	S	Bend	trans	-94.8	145.9	179.5	-76.6	134	0	0	0	111	K164 E197	K164-L166 PolarHBondContact O-N 2.83Å; L166-E197 HydrophobicContact CB-CB 4.5Å; L166-E197 VanDerWaalsContact CB-OE2 3.31Å; L166-E197 WeakPolarHBondContact CB-OE2 3.45Å; L166-E197 HydrophobicContact CD1-CB 4.24Å; L166-E197 WeakPolarHBondContact CD1-OE2 3.34Å; L166-E197 HydrophobicContact CD2-CB 3.69Å; L166-E197 HydrophobicContact CG-CB 4.32Å
167	P	73.8	Confident	86.4	Confident	113 Å²	113	45.5 Å²	45.5	73%	0.734	24%	0.241	S	C	*	.	S	Bend	cis	-81.9	145.4	2.1	32.2	-33.7	0	0	0	113.3	Q169	P167-Q169 PolarHBondContact O-N 3.03Å
168	S	86.4	Confident	86.1	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.042	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-75.3	125.3	178.8	176.7	0	0	0	0	112.4	E137 A170 W171 S172	E137-S168 WeakPolarHBondContact OE1-CA 3.44Å; E137-S168 WeakPolarHBondContact OE1-CB 3.4Å; E137-S168 PolarHBondContact OE1-OG 3.21Å; S168-A170 PolarHBondContact OG-N 3.43Å; S168-W171 PolarHBondContact OG-N 3.31Å; S168-S172 PolarHBondContact O-N 2.84Å; S168-S172 VanDerWaalsContact O-N 3.15Å
169	Q	88.2	Confident	85.6	Confident	88 Å²	88	48.8 Å²	48.8	41%	0.411	25%	0.252	S	S	.	.	H	α-helix	trans	-66.8	-43.9	175.4	-175.8	169.6	-7	0	0	111.3	E137 P167 W171 S172 R173	E137-Q169 HydrophobicContact CG-CB 4.48Å; E137-Q169 PolarHBondContact OE1-N 3.38Å; P167-Q169 PolarHBondContact O-N 3.03Å; Q169-W171 VanDerWaalsContact C-N 3.31Å; Q169-W171 PolarHBondContact O-N 3.21Å; Q169-S172 PolarHBondContact O-N 3.43Å; Q169-R173 WeakPolarHBondContact O-CG 3.4Å; Q169-R173 PolarHBondContact O-N 3.49Å
170	A	90.9	Very high	85.1	Confident	1 Å²	1	54 Å²	54	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-58	-44.4	178	0	0	0	0	0	111.7	E137 A140 S141 L162 S168 R173 C174	E137-A170 HydrophobicContact CB-CB 4.46Å; E137-A170 HydrophobicContact CG-CB 3.85Å; A140-A170 HydrophobicContact CB-CB 3.8Å; S141-A170 WeakPolarHBondContact OG-CA 3.45Å; S141-A170 PolarHBondContact OG-N 3.13Å; L162-A170 HydrophobicContact CD2-CB 4.43Å; S168-A170 PolarHBondContact OG-N 3.43Å; A170-R173 PolarHBondContact O-N 3.08Å; A170-C174 WeakPolarHBondContact O-CB 3.33Å; A170-C174 PolarHBondContact O-N 3.2Å
171	W	91.3	Very high	84.8	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.015	27%	0.273	C	S	.	.	H	α-helix	trans	-65.5	-40.4	178.1	-173.9	-117	0	0	0	112.5	L160 L162 S168 Q169 R173 C174 V175 M178 L189 L194 N198 F214	L160-W171 HydrophobicContact CD1-CE3 4.1Å; L162-W171 HydrophobicContact CD2-CB 4.33Å; S168-W171 PolarHBondContact OG-N 3.31Å; Q169-W171 VanDerWaalsContact C-N 3.31Å; Q169-W171 PolarHBondContact O-N 3.21Å; W171-R173 VanDerWaalsContact C-N 3.33Å; W171-R173 PolarHBondContact O-N 3.44Å; W171-C174 HydrophobicContact CE3-CB 4.02Å; W171-C174 HydrophobicContact CZ3-CB 4.31Å; W171-C174 VanDerWaalsContact O-CB 3.32Å; W171-C174 WeakPolarHBondContact O-CB 3.38Å; W171-C174 PolarHBondContact O-N 3.39Å; W171-V175 HydrophobicContact CD2-CG2 4.38Å; W171-V175 HydrophobicContact CZ2-CG2 4.02Å; W171-V175 WeakPolarHBondContact O-CG2 3.27Å; W171-V175 PolarHBondContact O-N 2.98Å; W171-M178 HydrophobicContact CH2-CE 4.32Å; W171-L189 HydrophobicContact CE3-CD2 4.43Å; W171-L189 HydrophobicContact CH2-CD2 3.78Å; W171-L189 HydrophobicContact CZ3-CD1 4.25Å; W171-L189 HydrophobicContact CZ3-CD2 3.51Å; W171-L189 HydrophobicContact CZ3-CG 4.48Å; W171-L194 HydrophobicContact CD2-CD2 4.16Å; W171-L194 HydrophobicContact CE3-CD2 4.32Å; W171-L194 HydrophobicContact CH2-CD1 4.22Å; W171-L194 HydrophobicContact CH2-CD2 4.32Å; W171-L194 HydrophobicContact CZ2-CD1 4.18Å; W171-L194 HydrophobicContact CZ2-CD2 4.12Å; W171-L194 HydrophobicContact CZ3-CD2 4.41Å; W171-N198 PolarHBondContact NE1-O 2.75Å; W171-N198 VanDerWaalsContact NE1-O 3.08Å; W171-F214 HydrophobicContact CH2-CE1 4.05Å
172	S	90	Very high	84.5	Confident	55 Å²	55	51.6 Å²	51.6	39%	0.385	27%	0.266	S	S	.	.	H	α-helix	trans	-61.2	-41.2	174.5	-173.2	0	0	0	0	112.1	S168 Q169 V175 N176	S168-S172 PolarHBondContact O-N 2.84Å; S168-S172 VanDerWaalsContact O-N 3.15Å; Q169-S172 PolarHBondContact O-N 3.43Å; S172-V175 PolarHBondContact O-N 3.44Å; S172-N176 WeakPolarHBondContact O-CB 3.37Å; S172-N176 PolarHBondContact O-N 3.48Å
173	R	91.6	Very high	84.5	Confident	74 Å²	74	51.1 Å²	51.1	28%	0.279	27%	0.265	S	S	.	.	H	α-helix	trans	-67.5	-39.2	174.9	-62.7	-55.4	-179.9	77.3	2.8	112.4	F144 D145 Q169 A170 W171 V175 N176 F177	F144-R173 HydrophobicContact CB-CB 3.99Å; F144-R173 HydrophobicContact CD2-CB 4.11Å; F144-R173 HydrophobicContact CG-CB 4.44Å; D145-R173 IonicContact OD1-CZ 3.87Å; D145-R173 IonicContact OD1-NH1 3.18Å; D145-R173 PolarHBondContact OD1-NH1 3.35Å; D145-R173 IonicContact OD2-CZ 3.87Å; D145-R173 IonicContact OD2-NH1 3.46Å; D145-R173 PolarHBondContact OD2-NH1 2.96Å; Q169-R173 WeakPolarHBondContact O-CG 3.4Å; Q169-R173 PolarHBondContact O-N 3.49Å; A170-R173 PolarHBondContact O-N 3.08Å; W171-R173 VanDerWaalsContact C-N 3.33Å; W171-R173 PolarHBondContact O-N 3.44Å; R173-V175 PolarHBondContact O-N 2.76Å; R173-N176 PolarHBondContact O-N 2.6Å; R173-F177 WeakPolarHBondContact O-CB 3.35Å; R173-F177 PolarHBondContact O-N 3.46Å
174	C	93.7	Very high	85.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.3	-50.1	172.7	-172.6	0	0	0	0	111.4	F144 A170 W171 N176 F177 M178 F187	F144-C174 HydrophobicContact CD1-CB 4.46Å; F144-C174 HydrophobicContact CD2-CB 4Å; F144-C174 HydrophobicContact CE1-CB 4Å; F144-C174 HydrophobicContact CE2-CB 3.49Å; F144-C174 VanDerWaalsContact CE2-CB 3.49Å; F144-C174 HydrophobicContact CG-CB 4.48Å; F144-C174 HydrophobicContact CZ-CB 3.49Å; F144-C174 VanDerWaalsContact CZ-CB 3.49Å; F144-C174 WeakPolarHBondContact CZ-SG 3.3Å; A170-C174 WeakPolarHBondContact O-CB 3.33Å; A170-C174 PolarHBondContact O-N 3.2Å; W171-C174 HydrophobicContact CE3-CB 4.02Å; W171-C174 HydrophobicContact CZ3-CB 4.31Å; W171-C174 VanDerWaalsContact O-CB 3.32Å; W171-C174 WeakPolarHBondContact O-CB 3.38Å; W171-C174 PolarHBondContact O-N 3.39Å; C174-N176 VanDerWaalsContact C-N 3.34Å; C174-N176 PolarHBondContact O-N 2.87Å; C174-F177 WeakPolarHBondContact O-CB 3.47Å; C174-F177 PolarHBondContact O-N 3.22Å; C174-M178 WeakPolarHBondContact O-CG 3.3Å; C174-M178 PolarHBondContact O-N 3.32Å; C174-F187 WeakPolarHBondContact SG-CZ 3.39Å
175	V	89.8	Confident	86.4	Confident	5 Å²	5	45 Å²	45	3%	0.03	23%	0.231	C	C	.	.	H	α-helix	trans	-65.9	-37.9	179.2	171.8	0	0	0	0	111.7	W171 S172 R173 M178 R179 L202 F204	W171-V175 HydrophobicContact CD2-CG2 4.38Å; W171-V175 HydrophobicContact CZ2-CG2 4.02Å; W171-V175 WeakPolarHBondContact O-CG2 3.27Å; W171-V175 PolarHBondContact O-N 2.98Å; S172-V175 PolarHBondContact O-N 3.44Å; R173-V175 PolarHBondContact O-N 2.76Å; V175-M178 HydrophobicContact CB-CE 4.29Å; V175-M178 HydrophobicContact CG2-CE 3.68Å; V175-M178 PolarHBondContact O-N 3.13Å; V175-R179 WeakPolarHBondContact O-CB 3.25Å; V175-R179 PolarHBondContact O-N 2.95Å; V175-L202 HydrophobicContact CB-CD1 4.28Å; V175-L202 HydrophobicContact CG1-CD1 4.4Å; V175-L202 HydrophobicContact CG2-CD1 3.87Å; V175-F204 HydrophobicContact CB-CE1 4.35Å; V175-F204 HydrophobicContact CG1-CD1 3.5Å; V175-F204 VanDerWaalsContact CG1-CD1 3.5Å; V175-F204 HydrophobicContact CG1-CE1 3.55Å; V175-F204 HydrophobicContact CG1-CG 4.38Å; V175-F204 HydrophobicContact CG1-CZ 4.46Å; V175-F204 HydrophobicContact CG2-CE1 3.82Å
176	N	90.1	Very high	87.8	Confident	35 Å²	35	43.8 Å²	43.8	19%	0.187	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-39.8	173.6	-177.9	67	0	0	0	112.4	S172 R173 C174 R179 K180	S172-N176 WeakPolarHBondContact O-CB 3.37Å; S172-N176 PolarHBondContact O-N 3.48Å; R173-N176 PolarHBondContact O-N 2.6Å; C174-N176 VanDerWaalsContact C-N 3.34Å; C174-N176 PolarHBondContact O-N 2.87Å; N176-R179 PolarHBondContact O-N 3.01Å; N176-R179 PolarHBondContact OD1-NH2 3.3Å; N176-K180 VanDerWaalsContact O-CB 3.3Å; N176-K180 WeakPolarHBondContact O-CB 3.47Å; N176-K180 PolarHBondContact O-N 3.22Å; N176-K180 VanDerWaalsContact OD1-CD 3.26Å; N176-K180 WeakPolarHBondContact OD1-CD 3.45Å; N176-K180 WeakPolarHBondContact OD1-CE 3.32Å; N176-K180 PolarHBondContact OD1-NZ 2.94Å
177	F	92.2	Very high	89	Confident	1 Å²	1	41.2 Å²	41.2	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-50.8	173.7	168.1	-114	0	0	0	111.3	F144 L147 L148 L156 R173 C174 R179 K180 S181 L184	F144-F177 HydrophobicContact CB-CB 4.33Å; F144-F177 HydrophobicContact CD1-CB 4.16Å; F144-F177 AromaticContact CD1-CD1 3.93Å; F144-F177 HydrophobicContact CD1-CD1 3.93Å; F144-F177 HydrophobicContact CD1-CG 4.2Å; F144-F177 HydrophobicContact CE1-CD1 4.33Å; L147-F177 HydrophobicContact CB-CD2 4.34Å; L147-F177 HydrophobicContact CB-CE2 3.82Å; L147-F177 HydrophobicContact CB-CZ 4.07Å; L148-F177 HydrophobicContact CB-CD2 3.83Å; L148-F177 HydrophobicContact CD1-CD2 4.11Å; L156-F177 HydrophobicContact CD2-CD1 4.25Å; L156-F177 HydrophobicContact CD2-CE1 3.61Å; L156-F177 HydrophobicContact CD2-CZ 4.47Å; R173-F177 WeakPolarHBondContact O-CB 3.35Å; R173-F177 PolarHBondContact O-N 3.46Å; C174-F177 WeakPolarHBondContact O-CB 3.47Å; C174-F177 PolarHBondContact O-N 3.22Å; F177-R179 PolarHBondContact O-N 3.41Å; F177-K180 PolarHBondContact O-N 3.02Å; F177-S181 VanDerWaalsContact O-CB 3.29Å; F177-S181 WeakPolarHBondContact O-CB 3.12Å; F177-S181 PolarHBondContact O-N 3.26Å; F177-L184 HydrophobicContact CD1-CD2 4.07Å; F177-L184 HydrophobicContact CE1-CD1 4.03Å; F177-L184 HydrophobicContact CE1-CD2 3.55Å; F177-L184 HydrophobicContact CE1-CG 4.33Å; F177-L184 HydrophobicContact CZ-CB 4.49Å; F177-L184 HydrophobicContact CZ-CD1 4.07Å; F177-L184 HydrophobicContact CZ-CD2 4.06Å; F177-L184 HydrophobicContact CZ-CG 4.45Å
178	M	90.7	Very high	90.2	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.02	17%	0.173	C	C	.	.	H	α-helix	trans	-56.1	-37.9	178.3	-73.3	-168.4	-72.3	0	0	112.7	W171 C174 V175 L184 F187 L207 L209 L212	W171-M178 HydrophobicContact CH2-CE 4.32Å; C174-M178 WeakPolarHBondContact O-CG 3.3Å; C174-M178 PolarHBondContact O-N 3.32Å; V175-M178 HydrophobicContact CB-CE 4.29Å; V175-M178 HydrophobicContact CG2-CE 3.68Å; V175-M178 PolarHBondContact O-N 3.13Å; M178-L184 HydrophobicContact CG-CD2 4.12Å; M178-F187 HydrophobicContact CE-CE1 4.29Å; M178-F187 HydrophobicContact CG-CD1 4.42Å; M178-F187 HydrophobicContact CG-CD2 4.22Å; M178-F187 HydrophobicContact CG-CG 4.16Å; M178-F187 HydrophobicContact SD-CB 4.2Å; M178-F187 HydrophobicContact SD-CD1 3.35Å; M178-F187 WeakPolarHBondContact SD-CD1 3.28Å; M178-F187 HydrophobicContact SD-CD2 4.18Å; M178-F187 HydrophobicContact SD-CE1 3.64Å; M178-F187 HydrophobicContact SD-CE2 4.44Å; M178-F187 HydrophobicContact SD-CG 3.64Å; M178-F187 HydrophobicContact SD-CZ 4.21Å; M178-L207 HydrophobicContact CB-CD1 3.69Å; M178-L209 HydrophobicContact CB-CD1 4.32Å; M178-L209 HydrophobicContact CG-CD1 4.22Å; M178-L209 HydrophobicContact SD-CD1 4.04Å; M178-L212 HydrophobicContact SD-CD1 4.32Å
179	R	85.1	Confident	90.7	Very high	77 Å²	77	36.6 Å²	36.6	29%	0.291	17%	0.171	S	C	.	.	H	α-helix	trans	-78.8	-38	-178.9	-174.6	178.2	67.5	119.5	-3.9	113.9	V175 N176 F177 N203 Y205	V175-R179 WeakPolarHBondContact O-CB 3.25Å; V175-R179 PolarHBondContact O-N 2.95Å; N176-R179 PolarHBondContact O-N 3.01Å; N176-R179 PolarHBondContact OD1-NH2 3.3Å; F177-R179 PolarHBondContact O-N 3.41Å; R179-N203 WeakPolarHBondContact CD-O 3.49Å; R179-Y205 WeakPolarHBondContact CD-O 3.43Å; R179-Y205 VanDerWaalsContact CG-O 3.27Å; R179-Y205 WeakPolarHBondContact CG-O 3.37Å
180	K	85.5	Confident	91.1	Very high	118 Å²	118	32.5 Å²	32.5	51%	0.513	15%	0.152	S	C	.	.	H	α-helix	trans	-99.2	-22.5	-170	-72.3	-169.9	176.2	175.9	0	114.8	L148 N176 F177 S182	L148-K180 HydrophobicContact CD1-CB 3.81Å; L148-K180 HydrophobicContact CD2-CB 4.16Å; L148-K180 HydrophobicContact CD2-CD 4.38Å; N176-K180 VanDerWaalsContact O-CB 3.3Å; N176-K180 WeakPolarHBondContact O-CB 3.47Å; N176-K180 PolarHBondContact O-N 3.22Å; N176-K180 VanDerWaalsContact OD1-CD 3.26Å; N176-K180 WeakPolarHBondContact OD1-CD 3.45Å; N176-K180 WeakPolarHBondContact OD1-CE 3.32Å; N176-K180 PolarHBondContact OD1-NZ 2.94Å; F177-K180 PolarHBondContact O-N 3.02Å; K180-S182 PolarHBondContact O-N 2.73Å
181	S	87.5	Confident	91.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	17%	0.167	C	C	.	.			trans	-55.7	141.4	175.8	170.5	0	0	0	0	108.6	E151 F177 A183 L184 R245	E151-S181 WeakPolarHBondContact OE1-CA 3.47Å; E151-S181 WeakPolarHBondContact OE2-CA 3.46Å; E151-S181 WeakPolarHBondContact OE2-CB 3.41Å; E151-S181 PolarHBondContact OE2-OG 3.5Å; F177-S181 VanDerWaalsContact O-CB 3.29Å; F177-S181 WeakPolarHBondContact O-CB 3.12Å; F177-S181 PolarHBondContact O-N 3.26Å; S181-A183 PolarHBondContact OG-N 3.49Å; S181-L184 WeakPolarHBondContact OG-CB 3.45Å; S181-L184 PolarHBondContact OG-N 3.3Å; S181-R245 VanDerWaalsContact C-NH2 3.26Å; S181-R245 PolarHBondContact O-NE 3.15Å; S181-R245 PolarHBondContact O-NH2 3.43Å
182	S	82.6	Confident	91.4	Very high	53 Å²	53	35.7 Å²	35.7	37%	0.371	17%	0.167	S	C	.	.	S	Bend	trans	-92.1	-20.6	170.1	63.6	0	0	0	0	112.4	E151 K180 R245	E151-S182 PolarHBondContact OE1-N 3.14Å; E151-S182 VanDerWaalsContact OE1-N 3.08Å; E151-S182 PolarHBondContact OE2-N 3.44Å; K180-S182 PolarHBondContact O-N 2.73Å; S182-R245 VanDerWaalsContact C-NE 3.35Å; S182-R245 VanDerWaalsContact C-NH2 3.35Å; S182-R245 WeakPolarHBondContact O-CD 3.5Å; S182-R245 PolarHBondContact O-NE 2.88Å; S182-R245 VanDerWaalsContact O-NE 3.13Å; S182-R245 PolarHBondContact O-NH1 2.88Å
183	A	86.5	Confident	91.4	Very high	13 Å²	13	36.1 Å²	36.1	11%	0.107	17%	0.168	C	C	.	.	S	Bend	trans	-96	-32.1	-175	0	0	0	0	0	114.8	E151 S181 R185	E151-A183 HydrophobicContact CB-CB 4.28Å; E151-A183 PolarHBondContact OE2-N 3.04Å; S181-A183 PolarHBondContact OG-N 3.49Å; A183-R185 PolarHBondContact O-N 3.18Å
184	L	91	Very high	91.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.			trans	-63	125.9	-173.8	-168	72.7	0	0	0	111.3	L156 F177 M178 S181 F187 L209 R245	L156-L184 HydrophobicContact CB-CD1 3.98Å; F177-L184 HydrophobicContact CD1-CD2 4.07Å; F177-L184 HydrophobicContact CE1-CD1 4.03Å; F177-L184 HydrophobicContact CE1-CD2 3.55Å; F177-L184 HydrophobicContact CE1-CG 4.33Å; F177-L184 HydrophobicContact CZ-CB 4.49Å; F177-L184 HydrophobicContact CZ-CD1 4.07Å; F177-L184 HydrophobicContact CZ-CD2 4.06Å; F177-L184 HydrophobicContact CZ-CG 4.45Å; M178-L184 HydrophobicContact CG-CD2 4.12Å; S181-L184 WeakPolarHBondContact OG-CB 3.45Å; S181-L184 PolarHBondContact OG-N 3.3Å; L184-F187 HydrophobicContact CD2-CB 4.46Å; L184-L209 HydrophobicContact CB-CD2 4.13Å; L184-L209 HydrophobicContact CD2-CD2 3.84Å; L184-L209 HydrophobicContact CG-CD2 3.77Å; L184-L209 WeakPolarHBondContact O-CD2 3.5Å; L184-R245 VanDerWaalsContact O-CZ 3.24Å; L184-R245 PolarHBondContact O-NH1 3.03Å; L184-R245 PolarHBondContact O-NH2 2.94Å
185	R	90.9	Very high	91.1	Very high	143 Å²	143	38.4 Å²	38.4	54%	0.54	18%	0.176	S	C	.	.			trans	-117	-34.3	176.8	-66.6	179.6	-177.8	-104	-0.1	111.6	T154 A183 L209 E210 R211	T154-R185 PolarHBondContact O-N 3.1Å; A183-R185 PolarHBondContact O-N 3.18Å; R185-L209 CarbonylContact O-C 3.49Å; R185-E210 HydrophobicContact CB-CB 4.44Å; R185-E210 PolarHBondContact O-N 3.45Å; R185-R211 PolarHBondContact O-N 2.92Å; R185-R211 VanDerWaalsContact O-N 3.16Å
186	R	95.5	Very high	91	Very high	75 Å²	75	41 Å²	41	28%	0.283	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.1	-175.3	-49	-172.1	-146.5	166.5	-5.7	110.4	T154 D155 L156 R211	T154-R186 PolarHBondContact O-N 3.37Å; T154-R186 VanDerWaalsContact O-N 3.1Å; D155-R186 WeakPolarHBondContact CA-O 3.48Å; D155-R186 HydrophobicContact CB-CB 4.29Å; D155-R186 WeakPolarHBondContact OD1-CD 3.15Å; D155-R186 WeakPolarHBondContact OD1-CG 3.31Å; D155-R186 IonicContact OD1-CZ 3.85Å; D155-R186 IonicContact OD1-NE 3.95Å; D155-R186 PolarHBondContact OD1-NE 2.9Å; D155-R186 IonicContact OD1-NH1 3.87Å; D155-R186 PolarHBondContact OD1-NH1 2.83Å; L156-R186 PolarHBondContact N-O 2.99Å; R186-R211 WeakPolarHBondContact CA-O 3.48Å; R186-R211 HydrophobicContact CB-CB 4.25Å; R186-R211 HydrophobicContact CG-CB 4.04Å
187	F	96.8	Very high	90.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.7	177.3	-177.7	-102.2	0	0	0	109.9	L156 I158 C174 M178 L184 L189 L209 R211 L212 N213	L156-F187 HydrophobicContact CB-CD2 4.22Å; L156-F187 HydrophobicContact CD2-CD2 4.16Å; L156-F187 HydrophobicContact CD2-CE2 3.91Å; L156-F187 HydrophobicContact CG-CD2 4.34Å; L156-F187 HydrophobicContact CG-CE2 4.31Å; L156-F187 WeakPolarHBondContact O-CA 3.4Å; I158-F187 HydrophobicContact CG2-CE2 3.86Å; I158-F187 HydrophobicContact CG2-CZ 3.92Å; C174-F187 WeakPolarHBondContact SG-CZ 3.39Å; M178-F187 HydrophobicContact CE-CE1 4.29Å; M178-F187 HydrophobicContact CG-CD1 4.42Å; M178-F187 HydrophobicContact CG-CD2 4.22Å; M178-F187 HydrophobicContact CG-CG 4.16Å; M178-F187 HydrophobicContact SD-CB 4.2Å; M178-F187 HydrophobicContact SD-CD1 3.35Å; M178-F187 WeakPolarHBondContact SD-CD1 3.28Å; M178-F187 HydrophobicContact SD-CD2 4.18Å; M178-F187 HydrophobicContact SD-CE1 3.64Å; M178-F187 HydrophobicContact SD-CE2 4.44Å; M178-F187 HydrophobicContact SD-CG 3.64Å; M178-F187 HydrophobicContact SD-CZ 4.21Å; L184-F187 HydrophobicContact CD2-CB 4.46Å; F187-L189 HydrophobicContact CE1-CB 3.79Å; F187-L189 HydrophobicContact CE1-CD1 4.49Å; F187-L189 HydrophobicContact CZ-CB 4.24Å; F187-L189 HydrophobicContact CZ-CD1 4.2Å; F187-L209 HydrophobicContact CB-CD1 3.75Å; F187-R211 PolarHBondContact N-O 3.39Å; F187-L212 HydrophobicContact CB-CD1 4.21Å; F187-L212 HydrophobicContact CD1-CD1 3.69Å; F187-L212 HydrophobicContact CG-CD1 4.44Å; F187-L212 WeakPolarHBondContact O-CA 3.4Å; F187-N213 PolarHBondContact O-N 2.9Å
188	T	97.5	Very high	90.4	Very high	22 Å²	22	44.1 Å²	44.1	14%	0.135	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.8	174.2	-57.9	0	0	0	0	108.9	L156 S157 I158 N213 I215	L156-T188 PolarHBondContact O-N 3.35Å; S157-T188 WeakPolarHBondContact CA-O 3.34Å; S157-T188 WeakPolarHBondContact OG-CB 3.48Å; I158-T188 PolarHBondContact N-O 3.24Å; T188-N213 WeakPolarHBondContact CA-O 3.39Å; T188-N213 HydrophobicContact CG2-CB 3.9Å; T188-I215 HydrophobicContact CG2-CD1 3.73Å; T188-I215 HydrophobicContact CG2-CG1 4.21Å
189	L	97.2	Very high	90.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.2	170.4	-171	71.8	0	0	0	108.4	I158 L160 W171 F187 T192 L194 N213 F214 I215 C217	I158-L189 HydrophobicContact CG2-CD1 4.03Å; I158-L189 WeakPolarHBondContact O-CA 3.18Å; L160-L189 HydrophobicContact CD1-CD1 3.95Å; L160-L189 HydrophobicContact CG-CD1 4.03Å; W171-L189 HydrophobicContact CE3-CD2 4.43Å; W171-L189 HydrophobicContact CH2-CD2 3.78Å; W171-L189 HydrophobicContact CZ3-CD1 4.25Å; W171-L189 HydrophobicContact CZ3-CD2 3.51Å; W171-L189 HydrophobicContact CZ3-CG 4.48Å; F187-L189 HydrophobicContact CE1-CB 3.79Å; F187-L189 HydrophobicContact CE1-CD1 4.49Å; F187-L189 HydrophobicContact CZ-CB 4.24Å; F187-L189 HydrophobicContact CZ-CD1 4.2Å; L189-T192 HydrophobicContact CD1-CG2 4.18Å; L189-T192 HydrophobicContact CD2-CG2 3.93Å; L189-T192 HydrophobicContact CG-CG2 4.24Å; L189-L194 HydrophobicContact CD2-CD1 3.87Å; L189-L194 HydrophobicContact CD2-CD2 4.23Å; L189-L194 HydrophobicContact CD2-CG 4.22Å; L189-N213 PolarHBondContact N-O 2.83Å; L189-F214 HydrophobicContact CB-CD1 4.02Å; L189-F214 HydrophobicContact CB-CE1 4.34Å; L189-F214 HydrophobicContact CD2-CD1 3.96Å; L189-F214 HydrophobicContact CD2-CE1 4.01Å; L189-F214 WeakPolarHBondContact O-CA 3.46Å; L189-I215 PolarHBondContact O-N 2.94Å; L189-C217 PolarHBondContact O-SG 2.81Å
190	S	96	Very high	89.8	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.007	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	144.3	-177.8	-56.1	0	0	0	0	111.5	I158 S159 T192 I215	I158-S190 PolarHBondContact O-N 3.17Å; S159-S190 VanDerWaalsContact CA-O 3.26Å; S159-S190 WeakPolarHBondContact CA-O 3.46Å; S159-S190 WeakPolarHBondContact CB-O 3.36Å; S159-S190 PolarHBondContact OG-O 2.69Å; S190-T192 PolarHBondContact O-N 3.05Å; S190-T192 VanDerWaalsContact O-N 3.09Å; S190-T192 PolarHBondContact O-OG1 3.31Å; S190-I215 CarbonylContact C-O 3.57Å; S190-I215 VanDerWaalsContact CA-O 3.23Å; S190-I215 WeakPolarHBondContact CA-O 3.14Å
191	H	94.8	Very high	89.1	Confident	73 Å²	73	45.4 Å²	45.4	34%	0.338	24%	0.238	S	C	.	.	S	Bend	trans	52.9	35.6	171.5	-51.1	-64	0	0	0	113.7	N132 I215 D216	N132-H191 PolarHBondContact OD1-CD2 3.31Å; H191-I215 PolarHBondContact N-O 3.06Å; H191-D216 VanDerWaalsContact CA-O 3.31Å; H191-D216 WeakPolarHBondContact CA-O 3.16Å; H191-D216 IonicContact CE1-OD2 3.76Å; H191-D216 IonicContact CG-OD2 2.88Å; H191-D216 IonicContact ND1-OD2 3.57Å; H191-D216 PolarHBondContact ND1-OD2 3.45Å
192	T	93.7	Very high	88.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.			trans	-121.6	97.9	-176.3	-56.9	0	0	0	0	108.8	L160 L162 L189 S190 L194 C217	L160-T192 HydrophobicContact CB-CG2 3.79Å; L160-T192 PolarHBondContact N-OG1 2.9Å; L160-T192 WeakPolarHBondContact O-CG2 3.13Å; L160-T192 PolarHBondContact O-OG1 3.01Å; L162-T192 HydrophobicContact CD1-CG2 3.68Å; L162-T192 HydrophobicContact CG-CG2 3.85Å; L189-T192 HydrophobicContact CD1-CG2 4.18Å; L189-T192 HydrophobicContact CD2-CG2 3.93Å; L189-T192 HydrophobicContact CG-CG2 4.24Å; S190-T192 PolarHBondContact O-N 3.05Å; S190-T192 VanDerWaalsContact O-N 3.09Å; S190-T192 PolarHBondContact O-OG1 3.31Å; T192-L194 HydrophobicContact CG2-CD2 4.33Å; T192-L194 PolarHBondContact O-N 3.42Å; T192-L194 VanDerWaalsContact O-N 3.09Å; T192-C217 VanDerWaalsContact O-CA 3.25Å; T192-C217 WeakPolarHBondContact O-CA 3.26Å; T192-C217 WeakPolarHBondContact O-CB 3.28Å; T192-C217 PolarHBondContact O-SG 3.43Å
193	P	91.6	Very high	88	Confident	63 Å²	63	48.4 Å²	48.4	41%	0.409	25%	0.249	S	C	.	.			trans	-62.3	112.3	-178.9	-23.7	34.3	0	0	0	111.7	C217 N218	P193-C217 WeakPolarHBondContact CA-O 3.47Å; P193-N218 HydrophobicContact CB-CB 4.39Å
194	L	90.8	Very high	87.2	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.248	C	C	.	.			trans	-96.8	135.4	176.5	-65.2	177.8	0	0	0	110.2	L162 W171 L189 T192 N198 F199 F214 C217 L219	L162-L194 HydrophobicContact CD1-CD2 4.02Å; W171-L194 HydrophobicContact CD2-CD2 4.16Å; W171-L194 HydrophobicContact CE3-CD2 4.32Å; W171-L194 HydrophobicContact CH2-CD1 4.22Å; W171-L194 HydrophobicContact CH2-CD2 4.32Å; W171-L194 HydrophobicContact CZ2-CD1 4.18Å; W171-L194 HydrophobicContact CZ2-CD2 4.12Å; W171-L194 HydrophobicContact CZ3-CD2 4.41Å; L189-L194 HydrophobicContact CD2-CD1 3.87Å; L189-L194 HydrophobicContact CD2-CD2 4.23Å; L189-L194 HydrophobicContact CD2-CG 4.22Å; T192-L194 HydrophobicContact CG2-CD2 4.33Å; T192-L194 PolarHBondContact O-N 3.42Å; T192-L194 VanDerWaalsContact O-N 3.09Å; L194-N198 HydrophobicContact CD2-CB 4.36Å; L194-F199 HydrophobicContact CB-CE2 4.44Å; L194-F199 HydrophobicContact CB-CZ 4.32Å; L194-F199 HydrophobicContact CD1-CZ 4.11Å; L194-F214 HydrophobicContact CD1-CD1 3.83Å; L194-F214 HydrophobicContact CD1-CE1 3.72Å; L194-C217 HydrophobicContact CD1-CB 4.39Å; L194-C217 HydrophobicContact CG-CB 4.44Å; L194-C217 PolarHBondContact N-O 3.41Å; L194-L219 HydrophobicContact CB-CD2 3.85Å; L194-L219 HydrophobicContact CD1-CD2 4.07Å
195	R	88.3	Confident	86.2	Confident	121 Å²	121	54.9 Å²	54.9	46%	0.457	27%	0.273	S	S	.	.			trans	-113.6	163.9	174.5	-62.6	-173.9	178.3	80.3	5.1	110	E197 N198 F199	R195-E197 PolarHBondContact O-N 3.16Å; R195-E197 VanDerWaalsContact O-N 3.17Å; R195-N198 PolarHBondContact N-OD1 3.3Å; R195-N198 VanDerWaalsContact O-CB 3.3Å; R195-N198 WeakPolarHBondContact O-CB 3.46Å; R195-N198 PolarHBondContact O-N 2.81Å; R195-N198 PolarHBondContact O-OD1 3.06Å; R195-F199 WeakPolarHBondContact O-CD2 3.49Å
196	L	86.1	Confident	85	Confident	59 Å²	59	49.5 Å²	49.5	31%	0.309	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-51.2	-41.5	176.6	179.2	62.8	0	0	0	112.3	N198 F199 Q222	L196-N198 PolarHBondContact O-N 3.15Å; L196-F199 PolarHBondContact O-N 3.39Å; L196-Q222 HydrophobicContact CD2-CB 4.37Å
197	E	85	Confident	84	Confident	95 Å²	95	46.3 Å²	46.3	44%	0.444	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-61.1	-25.5	179.7	-63.7	175.1	-142	0	0	113.6	L166 R195 F199 H200	L166-E197 HydrophobicContact CB-CB 4.5Å; L166-E197 VanDerWaalsContact CB-OE2 3.31Å; L166-E197 WeakPolarHBondContact CB-OE2 3.45Å; L166-E197 HydrophobicContact CD1-CB 4.24Å; L166-E197 WeakPolarHBondContact CD1-OE2 3.34Å; L166-E197 HydrophobicContact CD2-CB 3.69Å; L166-E197 HydrophobicContact CG-CB 4.32Å; R195-E197 PolarHBondContact O-N 3.16Å; R195-E197 VanDerWaalsContact O-N 3.17Å; E197-F199 PolarHBondContact O-N 3.34Å; E197-H200 PolarHBondContact O-N 3.48Å
198	N	86.2	Confident	82.9	Confident	7 Å²	7	47.6 Å²	47.6	4%	0.037	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-67.2	-16.3	175.5	-65.4	107.5	0	0	0	112.6	W171 L194 R195 L196 L202	W171-N198 PolarHBondContact NE1-O 2.75Å; W171-N198 VanDerWaalsContact NE1-O 3.08Å; L194-N198 HydrophobicContact CD2-CB 4.36Å; R195-N198 PolarHBondContact N-OD1 3.3Å; R195-N198 VanDerWaalsContact O-CB 3.3Å; R195-N198 WeakPolarHBondContact O-CB 3.46Å; R195-N198 PolarHBondContact O-N 2.81Å; R195-N198 PolarHBondContact O-OD1 3.06Å; L196-N198 PolarHBondContact O-N 3.15Å; N198-L202 WeakPolarHBondContact O-CD1 3.46Å
199	F	83.3	Confident	82.3	Confident	20 Å²	20	46.6 Å²	46.6	9%	0.088	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-98.3	-10	178.8	-56.3	-77.9	0	0	0	113	L194 R195 L196 E197 G201 F204 L219 L227	L194-F199 HydrophobicContact CB-CE2 4.44Å; L194-F199 HydrophobicContact CB-CZ 4.32Å; L194-F199 HydrophobicContact CD1-CZ 4.11Å; R195-F199 WeakPolarHBondContact O-CD2 3.49Å; L196-F199 PolarHBondContact O-N 3.39Å; E197-F199 PolarHBondContact O-N 3.34Å; F199-G201 PolarHBondContact O-N 3.29Å; F199-F204 HydrophobicContact CD1-CZ 4.06Å; F199-L219 HydrophobicContact CE2-CD2 4.49Å; F199-L219 HydrophobicContact CZ-CD2 4.16Å; F199-L227 HydrophobicContact CE1-CB 4.23Å; F199-L227 HydrophobicContact CE1-CD1 3.59Å; F199-L227 HydrophobicContact CZ-CB 4.08Å; F199-L227 HydrophobicContact CZ-CD1 4.01Å
200	H	79	Confident	81.9	Confident	118 Å²	118	49.2 Å²	49.2	55%	0.546	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	131.7	-178.7	-68.8	172.5	0	0	0	112	E197 L202	E197-H200 PolarHBondContact O-N 3.48Å; H200-L202 PolarHBondContact O-N 3.44Å
201	G	70.3	Confident	81.9	Confident	89 Å²	89	52.4 Å²	52.4	92%	0.918	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	5.4	173.9	0	0	0	0	0	115.4	F199	F199-G201 PolarHBondContact O-N 3.29Å
202	L	73.5	Confident	81.9	Confident	37 Å²	37	49 Å²	49	19%	0.194	26%	0.261	C	S	.	.			trans	-85.7	129.8	176.4	-64.9	-176.9	0	0	0	111	V175 N198 H200 F204	V175-L202 HydrophobicContact CB-CD1 4.28Å; V175-L202 HydrophobicContact CG1-CD1 4.4Å; V175-L202 HydrophobicContact CG2-CD1 3.87Å; N198-L202 WeakPolarHBondContact O-CD1 3.46Å; H200-L202 PolarHBondContact O-N 3.44Å; L202-F204 HydrophobicContact CB-CD2 4.12Å; L202-F204 HydrophobicContact CB-CE1 4.28Å; L202-F204 HydrophobicContact CB-CE2 3.54Å; L202-F204 HydrophobicContact CB-CZ 3.63Å; L202-F204 HydrophobicContact CD1-CE1 4.28Å; L202-F204 HydrophobicContact CD1-CZ 3.79Å; L202-F204 HydrophobicContact CG-CZ 4.37Å; L202-F204 WeakPolarHBondContact O-CD2 3.31Å
203	N	73.9	Confident	82.1	Confident	79 Å²	79	50 Å²	50	42%	0.422	27%	0.267	S	S	.	.			trans	-93.5	117	169.6	-179.6	1.4	0	0	0	109	R179 Y205	R179-N203 WeakPolarHBondContact CD-O 3.49Å; N203-Y205 VanDerWaalsContact OD1-CB 3.31Å; N203-Y205 WeakPolarHBondContact OD1-CB 3.21Å; N203-Y205 WeakPolarHBondContact OD1-CD2 3.34Å; N203-Y205 PolarHBondContact OD1-N 3.45Å
204	F	70	Confident	82.3	Confident	18 Å²	18	47.1 Å²	47.1	8%	0.079	25%	0.248	C	C	.	.			trans	-107.4	2.4	-180	-60.3	-87	0	0	0	114.1	V175 F199 L202 G206 L207 W230 L234	V175-F204 HydrophobicContact CB-CE1 4.35Å; V175-F204 HydrophobicContact CG1-CD1 3.5Å; V175-F204 VanDerWaalsContact CG1-CD1 3.5Å; V175-F204 HydrophobicContact CG1-CE1 3.55Å; V175-F204 HydrophobicContact CG1-CG 4.38Å; V175-F204 HydrophobicContact CG1-CZ 4.46Å; V175-F204 HydrophobicContact CG2-CE1 3.82Å; F199-F204 HydrophobicContact CD1-CZ 4.06Å; L202-F204 HydrophobicContact CB-CD2 4.12Å; L202-F204 HydrophobicContact CB-CE1 4.28Å; L202-F204 HydrophobicContact CB-CE2 3.54Å; L202-F204 HydrophobicContact CB-CZ 3.63Å; L202-F204 HydrophobicContact CD1-CE1 4.28Å; L202-F204 HydrophobicContact CD1-CZ 3.79Å; L202-F204 HydrophobicContact CG-CZ 4.37Å; L202-F204 WeakPolarHBondContact O-CD2 3.31Å; F204-G206 PolarHBondContact O-N 3.47Å; F204-L207 PolarHBondContact O-N 3.22Å; F204-W230 VanDerWaalsContact CB-CD1 3.49Å; F204-W230 HydrophobicContact CB-CD2 4.48Å; F204-W230 HydrophobicContact CB-CZ2 3.73Å; F204-W230 HydrophobicContact CD1-CD2 4.05Å; F204-W230 AromaticContact CD1-CE2 3.31Å; F204-W230 HydrophobicContact CD1-CG 4.49Å; F204-W230 HydrophobicContact CD1-CH2 4.15Å; F204-W230 AromaticContact CD1-CZ2 3.34Å; F204-W230 HydrophobicContact CD1-CZ2 3.34Å; F204-W230 AromaticContact CD1-NE1 3.57Å; F204-W230 AromaticContact CD2-CD1 3.11Å; F204-W230 HydrophobicContact CD2-CD2 4.15Å; F204-W230 AromaticContact CD2-CE2 3.8Å; F204-W230 AromaticContact CD2-CG 3.73Å; F204-W230 HydrophobicContact CD2-CG 3.73Å; F204-W230 AromaticContact CD2-NE1 3.31Å; F204-W230 VanDerWaalsContact CD2-NE1 3.31Å; F204-W230 HydrophobicContact CE1-CD2 4.21Å; F204-W230 AromaticContact CE1-CE2 3.91Å; F204-W230 HydrophobicContact CE1-CH2 4.45Å; F204-W230 HydrophobicContact CE1-CZ2 4.01Å; F204-W230 AromaticContact CE2-CD1 3.75Å; F204-W230 HydrophobicContact CE2-CD2 4.29Å; F204-W230 AromaticContact CE2-CG 3.91Å; F204-W230 HydrophobicContact CE2-CG 3.91Å; F204-W230 AromaticContact CG-CD1 3.36Å; F204-W230 HydrophobicContact CG-CD2 4.03Å; F204-W230 AromaticContact CG-CE2 3.26Å; F204-W230 HydrophobicContact CG-CG 4.05Å; F204-W230 AromaticContact CG-CZ2 3.72Å; F204-W230 HydrophobicContact CG-CZ2 3.72Å; F204-W230 AromaticContact CG-NE1 2.95Å; F204-W230 HydrophobicContact CZ-CD2 4.34Å; F204-W230 HydrophobicContact CZ-CG 4.38Å; F204-L234 HydrophobicContact CB-CD1 4.1Å; F204-L234 HydrophobicContact CB-CD2 4.21Å; F204-L234 HydrophobicContact CB-CG 4.49Å; F204-L234 VanDerWaalsContact O-CD2 3.26Å; F204-L234 WeakPolarHBondContact O-CD2 3.49Å
205	Y	69	Low	82.6	Confident	131 Å²	131	49 Å²	49	51%	0.514	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	130.9	175.9	-72.8	-67.5	0	0	0	110.5	R179 N203 L234	R179-Y205 WeakPolarHBondContact CD-O 3.43Å; R179-Y205 VanDerWaalsContact CG-O 3.27Å; R179-Y205 WeakPolarHBondContact CG-O 3.37Å; N203-Y205 VanDerWaalsContact OD1-CB 3.31Å; N203-Y205 WeakPolarHBondContact OD1-CB 3.21Å; N203-Y205 WeakPolarHBondContact OD1-CD2 3.34Å; N203-Y205 PolarHBondContact OD1-N 3.45Å; Y205-L234 HydrophobicContact CD1-CD2 4.18Å
206	G	67.2	Low	83	Confident	30 Å²	30	45.5 Å²	45.5	31%	0.309	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	7.4	179	0	0	0	0	0	115.5	F204 C208	F204-G206 PolarHBondContact O-N 3.47Å; G206-C208 PolarHBondContact O-N 3.21Å
207	L	74.3	Confident	83.4	Confident	8 Å²	8	42.7 Å²	42.7	4%	0.042	23%	0.233	C	C	.	.			trans	-65.5	125.9	167.7	-167.6	77	0	0	0	110.4	M178 F204 L209 W230 L234 W300	M178-L207 HydrophobicContact CB-CD1 3.69Å; F204-L207 PolarHBondContact O-N 3.22Å; L207-L209 HydrophobicContact CD1-CD1 3.81Å; L207-L209 HydrophobicContact CD1-CG 3.77Å; L207-L209 HydrophobicContact CD2-CD1 4.48Å; L207-L209 HydrophobicContact CG-CD1 4.38Å; L207-L209 HydrophobicContact CG-CG 4.09Å; L207-W230 HydrophobicContact CD2-CH2 3.5Å; L207-W230 HydrophobicContact CD2-CZ2 3.56Å; L207-L234 HydrophobicContact CB-CD1 3.97Å; L207-L234 HydrophobicContact CD2-CD1 4.34Å; L207-W300 HydrophobicContact CD2-CH2 4.15Å; L207-W300 HydrophobicContact CD2-CZ2 4.06Å; L207-W300 HydrophobicContact CG-CZ2 4.33Å
208	C	73.5	Confident	83.8	Confident	28 Å²	28	41.7 Å²	41.7	19%	0.189	23%	0.231	C	C	.	.			trans	-132.9	48.2	177.9	-82.3	0	0	0	0	111.3	G206 P243	G206-C208 PolarHBondContact O-N 3.21Å; C208-P243 WeakPolarHBondContact SG-CB 3.39Å; C208-P243 VanDerWaalsContact SG-CD 3.52Å; C208-P243 WeakPolarHBondContact SG-CG 3.33Å
209	L	85.1	Confident	84.1	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.229	C	C	.	.			trans	-84.2	130.7	177.6	-62.7	-178.3	0	0	0	110.7	M178 L184 R185 F187 L207 R211 L212 W300	M178-L209 HydrophobicContact CB-CD1 4.32Å; M178-L209 HydrophobicContact CG-CD1 4.22Å; M178-L209 HydrophobicContact SD-CD1 4.04Å; L184-L209 HydrophobicContact CB-CD2 4.13Å; L184-L209 HydrophobicContact CD2-CD2 3.84Å; L184-L209 HydrophobicContact CG-CD2 3.77Å; L184-L209 WeakPolarHBondContact O-CD2 3.5Å; R185-L209 CarbonylContact O-C 3.49Å; F187-L209 HydrophobicContact CB-CD1 3.75Å; L207-L209 HydrophobicContact CD1-CD1 3.81Å; L207-L209 HydrophobicContact CD1-CG 3.77Å; L207-L209 HydrophobicContact CD2-CD1 4.48Å; L207-L209 HydrophobicContact CG-CD1 4.38Å; L207-L209 HydrophobicContact CG-CG 4.09Å; L209-R211 VanDerWaalsContact C-N 3.34Å; L209-L212 HydrophobicContact CD1-CD1 4.33Å; L209-W300 PolarHBondContact O-NE1 3.16Å
210	E	89.3	Confident	84.5	Confident	55 Å²	55	42.6 Å²	42.6	26%	0.257	24%	0.238	S	C	.	.	S	Bend	trans	-66	-38.1	173.4	-177.3	-176.2	177	0	0	111.2	R185 R303	R185-E210 HydrophobicContact CB-CB 4.44Å; R185-E210 PolarHBondContact O-N 3.45Å; E210-R303 WeakPolarHBondContact O-CB 3.44Å; E210-R303 WeakPolarHBondContact O-CG 3.32Å; E210-R303 PolarHBondContact O-N 3.28Å; E210-R303 IonicContact OE1-CZ 3.81Å; E210-R303 IonicContact OE1-NH1 3.89Å; E210-R303 PolarHBondContact OE1-NH1 3.35Å; E210-R303 IonicContact OE1-NH2 2.77Å
211	R	94.5	Very high	85.2	Confident	67 Å²	67	38.7 Å²	38.7	25%	0.253	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	131.1	179.8	-173.8	173.9	-81.5	158	-5.5	112.2	R185 R186 F187 L209 R303 E400	R185-R211 PolarHBondContact O-N 2.92Å; R185-R211 VanDerWaalsContact O-N 3.16Å; R186-R211 WeakPolarHBondContact CA-O 3.48Å; R186-R211 HydrophobicContact CB-CB 4.25Å; R186-R211 HydrophobicContact CG-CB 4.04Å; F187-R211 PolarHBondContact N-O 3.39Å; L209-R211 VanDerWaalsContact C-N 3.34Å; R211-R303 CarbonylContact C-O 3.2Å; R211-R303 VanDerWaalsContact CA-O 3.32Å; R211-R303 WeakPolarHBondContact CA-O 3.45Å; R211-R303 HydrophobicContact CB-CB 4.16Å; R211-R303 HydrophobicContact CG-CB 4.11Å; R211-E400 IonicContact CZ-OE1 2.99Å; R211-E400 IonicContact NE-OE1 3.04Å; R211-E400 PolarHBondContact NE-OE1 3.34Å; R211-E400 IonicContact NH2-OE1 3.62Å; R211-E400 PolarHBondContact NH2-OE1 3.14Å; R211-E400 IonicContact NH2-OE2 2.7Å
212	L	95.4	Very high	86.1	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	114.3	176.6	-176.9	61.5	0	0	0	109.4	M178 F187 L209 F214 W230 L231 L302 R303 L304 G305	M178-L212 HydrophobicContact SD-CD1 4.32Å; F187-L212 HydrophobicContact CB-CD1 4.21Å; F187-L212 HydrophobicContact CD1-CD1 3.69Å; F187-L212 HydrophobicContact CG-CD1 4.44Å; F187-L212 WeakPolarHBondContact O-CA 3.4Å; L209-L212 HydrophobicContact CD1-CD1 4.33Å; L212-F214 HydrophobicContact CD1-CE2 3.96Å; L212-F214 HydrophobicContact CD1-CZ 3.99Å; L212-F214 HydrophobicContact CD2-CE2 3.58Å; L212-F214 HydrophobicContact CD2-CZ 4.04Å; L212-F214 HydrophobicContact CG-CD2 4.25Å; L212-F214 HydrophobicContact CG-CE2 3.52Å; L212-F214 HydrophobicContact CG-CZ 4.05Å; L212-W230 HydrophobicContact CD2-CH2 3.9Å; L212-W230 HydrophobicContact CD2-CZ3 3.86Å; L212-L231 HydrophobicContact CD2-CD2 4.21Å; L212-L302 HydrophobicContact CB-CD1 4.23Å; L212-R303 PolarHBondContact N-O 2.91Å; L212-L304 WeakPolarHBondContact O-CA 3.37Å; L212-G305 PolarHBondContact O-N 3.04Å
213	N	97.5	Very high	87	Confident	22 Å²	22	40 Å²	40	12%	0.118	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.3	-178.7	-71	-17.4	0	0	0	110.8	F187 T188 L189 G305	F187-N213 PolarHBondContact O-N 2.9Å; T188-N213 WeakPolarHBondContact CA-O 3.39Å; T188-N213 HydrophobicContact CG2-CB 3.9Å; L189-N213 PolarHBondContact N-O 2.83Å; N213-G305 CarbonylContact C-O 3.6Å; N213-G305 WeakPolarHBondContact CA-O 3.49Å; N213-G305 WeakPolarHBondContact OD1-CA 3.5Å; N213-G305 PolarHBondContact OD1-N 2.87Å
214	F	97.1	Very high	88	Confident	3 Å²	3	36.2 Å²	36.2	1%	0.013	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	109.3	169.3	-63.9	-82.7	0	0	0	108.6	W171 L189 L194 L212 C217 L219 L227 G305 L306 M307 N309	W171-F214 HydrophobicContact CH2-CE1 4.05Å; L189-F214 HydrophobicContact CB-CD1 4.02Å; L189-F214 HydrophobicContact CB-CE1 4.34Å; L189-F214 HydrophobicContact CD2-CD1 3.96Å; L189-F214 HydrophobicContact CD2-CE1 4.01Å; L189-F214 WeakPolarHBondContact O-CA 3.46Å; L194-F214 HydrophobicContact CD1-CD1 3.83Å; L194-F214 HydrophobicContact CD1-CE1 3.72Å; L212-F214 HydrophobicContact CD1-CE2 3.96Å; L212-F214 HydrophobicContact CD1-CZ 3.99Å; L212-F214 HydrophobicContact CD2-CE2 3.58Å; L212-F214 HydrophobicContact CD2-CZ 4.04Å; L212-F214 HydrophobicContact CG-CD2 4.25Å; L212-F214 HydrophobicContact CG-CE2 3.52Å; L212-F214 HydrophobicContact CG-CZ 4.05Å; F214-C217 HydrophobicContact CB-CB 4.17Å; F214-L219 HydrophobicContact CB-CD1 3.43Å; F214-L219 VanDerWaalsContact CB-CD1 3.43Å; F214-L219 HydrophobicContact CD1-CD1 4.05Å; F214-L219 HydrophobicContact CD2-CD1 4.15Å; F214-L219 HydrophobicContact CG-CD1 3.63Å; F214-L227 HydrophobicContact CD2-CD2 3.91Å; F214-L227 HydrophobicContact CE2-CD1 3.83Å; F214-L227 HydrophobicContact CE2-CD2 3.79Å; F214-L227 HydrophobicContact CE2-CG 4.43Å; F214-L227 HydrophobicContact CZ-CD1 3.86Å; F214-L227 HydrophobicContact CZ-CD2 4.43Å; F214-G305 PolarHBondContact N-O 2.94Å; F214-L306 HydrophobicContact CB-CD2 4.27Å; F214-L306 HydrophobicContact CD2-CD2 4.19Å; F214-L306 CarbonylContact O-C 3.5Å; F214-L306 WeakPolarHBondContact O-CA 3.45Å; F214-M307 PolarHBondContact O-N 3.31Å; F214-N309 PolarHBondContact O-ND2 2.97Å
215	I	97.1	Very high	89	Confident	39 Å²	39	41.9 Å²	41.9	20%	0.2	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119	-175.7	-53	-179.9	0	0	0	108.3	T188 L189 S190 H191 C217 M307	T188-I215 HydrophobicContact CG2-CD1 3.73Å; T188-I215 HydrophobicContact CG2-CG1 4.21Å; L189-I215 PolarHBondContact O-N 2.94Å; S190-I215 CarbonylContact C-O 3.57Å; S190-I215 VanDerWaalsContact CA-O 3.23Å; S190-I215 WeakPolarHBondContact CA-O 3.14Å; H191-I215 PolarHBondContact N-O 3.06Å; I215-C217 VanDerWaalsContact C-N 3.27Å; I215-C217 PolarHBondContact O-N 3.43Å; I215-M307 WeakPolarHBondContact CA-O 3.34Å; I215-M307 HydrophobicContact CD1-CE 3.84Å; I215-M307 HydrophobicContact CG1-CB 4.48Å; I215-M307 HydrophobicContact CG1-CE 3.98Å
216	D	95.5	Very high	90	Very high	48 Å²	48	36.4 Å²	36.4	26%	0.257	20%	0.197	S	C	.	.	S	Bend	trans	53.3	46.1	179.5	-169.4	31.4	0	0	0	112.6	H191 M307 N308	H191-D216 VanDerWaalsContact CA-O 3.31Å; H191-D216 WeakPolarHBondContact CA-O 3.16Å; H191-D216 IonicContact CE1-OD2 3.76Å; H191-D216 IonicContact CG-OD2 2.88Å; H191-D216 IonicContact ND1-OD2 3.57Å; H191-D216 PolarHBondContact ND1-OD2 3.45Å; D216-M307 PolarHBondContact N-O 3.21Å; D216-M307 VanDerWaalsContact N-O 3.08Å; D216-N308 VanDerWaalsContact CA-O 3.25Å; D216-N308 WeakPolarHBondContact CA-O 3.26Å; D216-N308 HydrophobicContact CB-CB 4.42Å
217	C	95.1	Very high	91.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.			trans	-96.3	7.6	178.9	-74.5	0	0	0	0	112.9	L189 T192 P193 L194 F214 I215 L219 N309	L189-C217 PolarHBondContact O-SG 2.81Å; T192-C217 VanDerWaalsContact O-CA 3.25Å; T192-C217 WeakPolarHBondContact O-CA 3.26Å; T192-C217 WeakPolarHBondContact O-CB 3.28Å; T192-C217 PolarHBondContact O-SG 3.43Å; P193-C217 WeakPolarHBondContact CA-O 3.47Å; L194-C217 HydrophobicContact CD1-CB 4.39Å; L194-C217 HydrophobicContact CG-CB 4.44Å; L194-C217 PolarHBondContact N-O 3.41Å; F214-C217 HydrophobicContact CB-CB 4.17Å; I215-C217 VanDerWaalsContact C-N 3.27Å; I215-C217 PolarHBondContact O-N 3.43Å; C217-L219 HydrophobicContact CB-CD1 3.93Å; C217-L219 HydrophobicContact CB-CG 3.86Å; C217-L219 PolarHBondContact O-N 2.83Å; C217-N309 WeakPolarHBondContact CA-OD1 3.17Å; C217-N309 PolarHBondContact N-OD1 3.23Å
218	N	92.5	Very high	92.1	Very high	75 Å²	75	34.7 Å²	34.7	40%	0.401	18%	0.18	S	C	.	.			trans	53	36.8	-176	-166	67.1	0	0	0	112.9	P193 T220 N309	P193-N218 HydrophobicContact CB-CB 4.39Å; N218-T220 PolarHBondContact O-N 3.27Å; N218-N309 PolarHBondContact N-OD1 3.31Å
219	L	92	Very high	92.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.			trans	-80	81.1	179.3	-70.9	168.3	0	0	0	110.7	L194 F199 F214 C217 S223 L227 L306 N309 L311	L194-L219 HydrophobicContact CB-CD2 3.85Å; L194-L219 HydrophobicContact CD1-CD2 4.07Å; F199-L219 HydrophobicContact CE2-CD2 4.49Å; F199-L219 HydrophobicContact CZ-CD2 4.16Å; F214-L219 HydrophobicContact CB-CD1 3.43Å; F214-L219 VanDerWaalsContact CB-CD1 3.43Å; F214-L219 HydrophobicContact CD1-CD1 4.05Å; F214-L219 HydrophobicContact CD2-CD1 4.15Å; F214-L219 HydrophobicContact CG-CD1 3.63Å; C217-L219 HydrophobicContact CB-CD1 3.93Å; C217-L219 HydrophobicContact CB-CG 3.86Å; C217-L219 PolarHBondContact O-N 2.83Å; L219-S223 WeakPolarHBondContact CA-OG 3.42Å; L219-L227 HydrophobicContact CD1-CD2 3.76Å; L219-L227 HydrophobicContact CD2-CD2 4.35Å; L219-L306 HydrophobicContact CD1-CD2 4.03Å; L219-N309 HydrophobicContact CB-CB 4.33Å; L219-N309 PolarHBondContact N-OD1 3.39Å; L219-N309 VanDerWaalsContact N-OD1 3.16Å; L219-L311 WeakPolarHBondContact O-CD2 3.44Å
220	T	93.4	Very high	92.8	Very high	45 Å²	45	37.9 Å²	37.9	28%	0.276	19%	0.192	S	C	.	.			trans	-125.3	160.4	172.8	60.2	0	0	0	0	111.3	N218 Q222 S223 N309 L311	N218-T220 PolarHBondContact O-N 3.27Å; T220-Q222 PolarHBondContact O-N 3.12Å; T220-S223 PolarHBondContact N-OG 3.48Å; T220-S223 PolarHBondContact O-N 3.04Å; T220-S223 PolarHBondContact O-OG 3.02Å; T220-N309 WeakPolarHBondContact CG2-O 3.42Å; T220-L311 HydrophobicContact CG2-CD2 4.4Å
221	G	92.2	Very high	92.8	Very high	36 Å²	36	35.2 Å²	35.2	37%	0.371	18%	0.179	S	C	.	.	H	α-helix	trans	52.7	-123.7	176.9	0	0	0	0	0	113.6	S223 L224 Y225 D315	G221-S223 VanDerWaalsContact C-N 3.31Å; G221-S223 PolarHBondContact O-N 2.89Å; G221-L224 PolarHBondContact O-N 2.96Å; G221-Y225 PolarHBondContact O-N 3.43Å; G221-D315 WeakPolarHBondContact CA-OD1 3.4Å; G221-D315 PolarHBondContact N-OD1 3.49Å
222	Q	90.9	Very high	92.5	Very high	144 Å²	144	36.1 Å²	36.1	67%	0.673	18%	0.183	S	C	*	.	H	α-helix	trans	-62.2	-34.6	-175	-66.9	179.2	-8	0	0	113.8	L196 T220 Y225 G226	L196-Q222 HydrophobicContact CD2-CB 4.37Å; T220-Q222 PolarHBondContact O-N 3.12Å; Q222-Y225 PolarHBondContact O-N 3.03Å; Q222-G226 PolarHBondContact O-N 3.33Å
223	S	91.2	Very high	91.9	Very high	10 Å²	10	39.3 Å²	39.3	7%	0.07	20%	0.199	C	C	.	.	H	α-helix	trans	-67.4	-42	-179.6	65.9	0	0	0	0	111.4	L219 T220 G221 G226 L227	L219-S223 WeakPolarHBondContact CA-OG 3.42Å; T220-S223 PolarHBondContact N-OG 3.48Å; T220-S223 PolarHBondContact O-N 3.04Å; T220-S223 PolarHBondContact O-OG 3.02Å; G221-S223 VanDerWaalsContact C-N 3.31Å; G221-S223 PolarHBondContact O-N 2.89Å; S223-G226 PolarHBondContact O-N 3.17Å; S223-L227 PolarHBondContact O-N 2.99Å; S223-L227 VanDerWaalsContact O-N 3.12Å
224	L	94.8	Very high	91.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.8	-47.4	173	179.5	66.5	0	0	0	110.9	G221 G226 L227 M228 L306 L311 D315 A318 I319	G221-L224 PolarHBondContact O-N 2.96Å; L224-G226 VanDerWaalsContact C-N 3.29Å; L224-G226 PolarHBondContact O-N 2.97Å; L224-L227 WeakPolarHBondContact O-CB 3.31Å; L224-L227 PolarHBondContact O-N 3.32Å; L224-L227 VanDerWaalsContact O-N 3.11Å; L224-M228 HydrophobicContact CD1-CE 3.96Å; L224-M228 HydrophobicContact CD1-CG 4.03Å; L224-M228 HydrophobicContact CD1-SD 4.35Å; L224-M228 HydrophobicContact CG-CG 4.1Å; L224-M228 VanDerWaalsContact O-CG 3.3Å; L224-M228 WeakPolarHBondContact O-CG 3.19Å; L224-M228 PolarHBondContact O-N 3.21Å; L224-L306 HydrophobicContact CD1-CD1 3.88Å; L224-L311 HydrophobicContact CD2-CD2 3.72Å; L224-D315 HydrophobicContact CD2-CB 3.71Å; L224-D315 WeakPolarHBondContact CD2-O 3.27Å; L224-A318 HydrophobicContact CD2-CB 4.23Å; L224-A318 HydrophobicContact CG-CB 4.27Å; L224-I319 HydrophobicContact CD2-CG1 4.44Å
225	Y	91.9	Very high	90.4	Very high	137 Å²	137	38.4 Å²	38.4	54%	0.537	20%	0.195	S	C	.	.	H	α-helix	trans	-56	-44.6	177.6	-177.2	-93	0	0	0	112	G221 Q222 L227 M228 Q229 A318	G221-Y225 PolarHBondContact O-N 3.43Å; Q222-Y225 PolarHBondContact O-N 3.03Å; Y225-L227 PolarHBondContact O-N 3.31Å; Y225-M228 PolarHBondContact O-N 3.08Å; Y225-Q229 VanDerWaalsContact O-CB 3.3Å; Y225-Q229 WeakPolarHBondContact O-CB 3.31Å; Y225-Q229 PolarHBondContact O-N 3.1Å; Y225-A318 HydrophobicContact CD2-CB 4.26Å
226	G	89.3	Confident	89.6	Confident	15 Å²	15	38.3 Å²	38.3	16%	0.155	20%	0.197	C	C	.	.	H	α-helix	trans	-58.8	-45.2	175.2	0	0	0	0	0	112.8	Q222 S223 L224 W230	Q222-G226 PolarHBondContact O-N 3.33Å; S223-G226 PolarHBondContact O-N 3.17Å; L224-G226 VanDerWaalsContact C-N 3.29Å; L224-G226 PolarHBondContact O-N 2.97Å; G226-W230 VanDerWaalsContact O-CB 3.27Å; G226-W230 WeakPolarHBondContact O-CB 3.11Å; G226-W230 PolarHBondContact O-N 2.78Å
227	L	91.8	Very high	88.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-44.1	176.1	-175.8	76	0	0	0	112.1	F199 F214 L219 S223 L224 Y225 W230 L231 L306	F199-L227 HydrophobicContact CE1-CB 4.23Å; F199-L227 HydrophobicContact CE1-CD1 3.59Å; F199-L227 HydrophobicContact CZ-CB 4.08Å; F199-L227 HydrophobicContact CZ-CD1 4.01Å; F214-L227 HydrophobicContact CD2-CD2 3.91Å; F214-L227 HydrophobicContact CE2-CD1 3.83Å; F214-L227 HydrophobicContact CE2-CD2 3.79Å; F214-L227 HydrophobicContact CE2-CG 4.43Å; F214-L227 HydrophobicContact CZ-CD1 3.86Å; F214-L227 HydrophobicContact CZ-CD2 4.43Å; L219-L227 HydrophobicContact CD1-CD2 3.76Å; L219-L227 HydrophobicContact CD2-CD2 4.35Å; S223-L227 PolarHBondContact O-N 2.99Å; S223-L227 VanDerWaalsContact O-N 3.12Å; L224-L227 WeakPolarHBondContact O-CB 3.31Å; L224-L227 PolarHBondContact O-N 3.32Å; L224-L227 VanDerWaalsContact O-N 3.11Å; Y225-L227 PolarHBondContact O-N 3.31Å; L227-W230 HydrophobicContact CD1-CE3 3.48Å; L227-W230 VanDerWaalsContact CD1-CE3 3.48Å; L227-W230 HydrophobicContact CD1-CZ3 3.62Å; L227-W230 HydrophobicContact CG-CE3 4.25Å; L227-W230 WeakPolarHBondContact O-CB 3.24Å; L227-W230 PolarHBondContact O-N 3.01Å; L227-L231 HydrophobicContact CG-CD1 4.48Å; L227-L231 WeakPolarHBondContact O-CG 3.45Å; L227-L231 PolarHBondContact O-N 3.29Å; L227-L306 HydrophobicContact CD2-CD2 4.05Å
228	M	93.4	Very high	86.3	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-67.9	-43.3	-178.5	-66.2	-58.4	97	0	0	111.5	L224 Y225 W230 L231 Y232 L304 L306 A318 I319 L322	L224-M228 HydrophobicContact CD1-CE 3.96Å; L224-M228 HydrophobicContact CD1-CG 4.03Å; L224-M228 HydrophobicContact CD1-SD 4.35Å; L224-M228 HydrophobicContact CG-CG 4.1Å; L224-M228 VanDerWaalsContact O-CG 3.3Å; L224-M228 WeakPolarHBondContact O-CG 3.19Å; L224-M228 PolarHBondContact O-N 3.21Å; Y225-M228 PolarHBondContact O-N 3.08Å; M228-W230 VanDerWaalsContact C-N 3.27Å; M228-W230 PolarHBondContact O-N 3.12Å; M228-L231 HydrophobicContact CE-CD1 3.83Å; M228-L231 PolarHBondContact O-N 3.13Å; M228-Y232 VanDerWaalsContact O-CB 3.32Å; M228-Y232 WeakPolarHBondContact O-CB 3.38Å; M228-Y232 PolarHBondContact O-N 2.82Å; M228-L304 HydrophobicContact CE-CD2 3.95Å; M228-L304 HydrophobicContact SD-CD2 4.35Å; M228-L306 HydrophobicContact CE-CD1 4.14Å; M228-A318 WeakPolarHBondContact CB-O 3.31Å; M228-A318 HydrophobicContact CG-CB 4.27Å; M228-A318 VanDerWaalsContact CG-O 3.31Å; M228-A318 WeakPolarHBondContact CG-O 3.35Å; M228-I319 HydrophobicContact CG-CG1 4.36Å; M228-I319 HydrophobicContact SD-CB 4.35Å; M228-I319 HydrophobicContact SD-CG1 4.04Å; M228-I319 HydrophobicContact SD-CG2 4.32Å; M228-L322 HydrophobicContact CE-CD1 4.22Å; M228-L322 HydrophobicContact SD-CD1 3.4Å; M228-L322 WeakPolarHBondContact SD-CD1 3.48Å; M228-L322 HydrophobicContact SD-CG 4.37Å
229	Q	87.3	Confident	84.1	Confident	73 Å²	73	42.3 Å²	42.3	34%	0.341	23%	0.231	S	C	.	.	H	α-helix	trans	-61.6	-40.7	175.6	-171.6	66.9	2.4	0	0	111.1	Y225 Y232 I233	Y225-Q229 VanDerWaalsContact O-CB 3.3Å; Y225-Q229 WeakPolarHBondContact O-CB 3.31Å; Y225-Q229 PolarHBondContact O-N 3.1Å; Q229-Y232 PolarHBondContact O-N 2.85Å; Q229-I233 HydrophobicContact CG-CD1 4.27Å; Q229-I233 VanDerWaalsContact O-CG1 3.3Å; Q229-I233 WeakPolarHBondContact O-CG1 3.47Å; Q229-I233 PolarHBondContact O-N 2.76Å; Q229-I233 VanDerWaalsContact O-N 3.08Å
230	W	86.7	Confident	81.3	Confident	23 Å²	23	48.8 Å²	48.8	9%	0.087	27%	0.265	C	S	.	.	H	α-helix	trans	-59.2	-54.5	174.2	161.3	53.5	0	0	0	112.2	F204 L207 L212 G226 L227 M228 Y232 I233 L234	F204-W230 VanDerWaalsContact CB-CD1 3.49Å; F204-W230 HydrophobicContact CB-CD2 4.48Å; F204-W230 HydrophobicContact CB-CZ2 3.73Å; F204-W230 HydrophobicContact CD1-CD2 4.05Å; F204-W230 AromaticContact CD1-CE2 3.31Å; F204-W230 HydrophobicContact CD1-CG 4.49Å; F204-W230 HydrophobicContact CD1-CH2 4.15Å; F204-W230 AromaticContact CD1-CZ2 3.34Å; F204-W230 HydrophobicContact CD1-CZ2 3.34Å; F204-W230 AromaticContact CD1-NE1 3.57Å; F204-W230 AromaticContact CD2-CD1 3.11Å; F204-W230 HydrophobicContact CD2-CD2 4.15Å; F204-W230 AromaticContact CD2-CE2 3.8Å; F204-W230 AromaticContact CD2-CG 3.73Å; F204-W230 HydrophobicContact CD2-CG 3.73Å; F204-W230 AromaticContact CD2-NE1 3.31Å; F204-W230 VanDerWaalsContact CD2-NE1 3.31Å; F204-W230 HydrophobicContact CE1-CD2 4.21Å; F204-W230 AromaticContact CE1-CE2 3.91Å; F204-W230 HydrophobicContact CE1-CH2 4.45Å; F204-W230 HydrophobicContact CE1-CZ2 4.01Å; F204-W230 AromaticContact CE2-CD1 3.75Å; F204-W230 HydrophobicContact CE2-CD2 4.29Å; F204-W230 AromaticContact CE2-CG 3.91Å; F204-W230 HydrophobicContact CE2-CG 3.91Å; F204-W230 AromaticContact CG-CD1 3.36Å; F204-W230 HydrophobicContact CG-CD2 4.03Å; F204-W230 AromaticContact CG-CE2 3.26Å; F204-W230 HydrophobicContact CG-CG 4.05Å; F204-W230 AromaticContact CG-CZ2 3.72Å; F204-W230 HydrophobicContact CG-CZ2 3.72Å; F204-W230 AromaticContact CG-NE1 2.95Å; F204-W230 HydrophobicContact CZ-CD2 4.34Å; F204-W230 HydrophobicContact CZ-CG 4.38Å; L207-W230 HydrophobicContact CD2-CH2 3.5Å; L207-W230 HydrophobicContact CD2-CZ2 3.56Å; L212-W230 HydrophobicContact CD2-CH2 3.9Å; L212-W230 HydrophobicContact CD2-CZ3 3.86Å; G226-W230 VanDerWaalsContact O-CB 3.27Å; G226-W230 WeakPolarHBondContact O-CB 3.11Å; G226-W230 PolarHBondContact O-N 2.78Å; L227-W230 HydrophobicContact CD1-CE3 3.48Å; L227-W230 VanDerWaalsContact CD1-CE3 3.48Å; L227-W230 HydrophobicContact CD1-CZ3 3.62Å; L227-W230 HydrophobicContact CG-CE3 4.25Å; L227-W230 WeakPolarHBondContact O-CB 3.24Å; L227-W230 PolarHBondContact O-N 3.01Å; M228-W230 VanDerWaalsContact C-N 3.27Å; M228-W230 PolarHBondContact O-N 3.12Å; W230-Y232 VanDerWaalsContact C-N 3.26Å; W230-Y232 PolarHBondContact O-N 2.93Å; W230-I233 PolarHBondContact O-N 3.22Å; W230-L234 HydrophobicContact CD2-CD1 4.49Å; W230-L234 HydrophobicContact CH2-CD1 4.44Å; W230-L234 HydrophobicContact CZ2-CD1 3.38Å; W230-L234 PolarHBondContact O-N 3.05Å
231	L	89.3	Confident	78.5	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.3	-40.2	179.4	-74.7	174.8	0	0	0	111.6	L212 L227 M228 L234 L235 W300 L302 L304 L322	L212-L231 HydrophobicContact CD2-CD2 4.21Å; L227-L231 HydrophobicContact CG-CD1 4.48Å; L227-L231 WeakPolarHBondContact O-CG 3.45Å; L227-L231 PolarHBondContact O-N 3.29Å; M228-L231 HydrophobicContact CE-CD1 3.83Å; M228-L231 PolarHBondContact O-N 3.13Å; L231-L234 PolarHBondContact O-N 3.49Å; L231-L235 WeakPolarHBondContact O-CG 3.44Å; L231-L235 PolarHBondContact O-N 2.61Å; L231-W300 HydrophobicContact CD2-CH2 4.44Å; L231-L302 HydrophobicContact CD1-CD2 4.32Å; L231-L302 HydrophobicContact CD2-CD2 3.95Å; L231-L304 HydrophobicContact CD1-CD1 3.96Å; L231-L304 HydrophobicContact CD1-CD2 3.92Å; L231-L322 HydrophobicContact CB-CD1 4.08Å; L231-L322 HydrophobicContact CB-CD2 3.76Å; L231-L322 HydrophobicContact CD1-CD1 4.02Å
232	Y	87.6	Confident	76	Confident	86 Å²	86	54.1 Å²	54.1	34%	0.337	27%	0.273	S	S	.	.	H	α-helix	trans	-61.4	-48.1	180	177.4	-101.7	0	0	0	111.3	M228 Q229 W230 L234 L235 S236 P321 H325	M228-Y232 VanDerWaalsContact O-CB 3.32Å; M228-Y232 WeakPolarHBondContact O-CB 3.38Å; M228-Y232 PolarHBondContact O-N 2.82Å; Q229-Y232 PolarHBondContact O-N 2.85Å; W230-Y232 VanDerWaalsContact C-N 3.26Å; W230-Y232 PolarHBondContact O-N 2.93Å; Y232-L234 VanDerWaalsContact C-N 3.26Å; Y232-L234 PolarHBondContact O-N 2.97Å; Y232-L235 PolarHBondContact O-N 3.47Å; Y232-S236 WeakPolarHBondContact O-CB 3.06Å; Y232-S236 PolarHBondContact O-N 3.17Å; Y232-S236 PolarHBondContact O-OG 3.37Å; Y232-P321 HydrophobicContact CD2-CB 3.83Å; Y232-P321 HydrophobicContact CE2-CB 4.23Å; Y232-P321 HydrophobicContact CG-CB 4.17Å; Y232-H325 HydrophobicContact CE2-CB 4.34Å; Y232-H325 AromaticContact CE2-CD2 3.95Å
233	I	82.8	Confident	73.7	Confident	67 Å²	67	48.9 Å²	48.9	34%	0.344	25%	0.252	S	S	.	.	H	α-helix	trans	-58	-41.4	177.1	-69	165.6	0	0	0	110.9	Q229 W230 S236 S237	Q229-I233 HydrophobicContact CG-CD1 4.27Å; Q229-I233 VanDerWaalsContact O-CG1 3.3Å; Q229-I233 WeakPolarHBondContact O-CG1 3.47Å; Q229-I233 PolarHBondContact O-N 2.76Å; Q229-I233 VanDerWaalsContact O-N 3.08Å; W230-I233 PolarHBondContact O-N 3.22Å; I233-S236 PolarHBondContact O-N 3.34Å; I233-S237 VanDerWaalsContact O-CB 3.26Å; I233-S237 WeakPolarHBondContact O-CB 3.46Å; I233-S237 PolarHBondContact O-N 3.3Å
234	L	81.3	Confident	71.3	Confident	7 Å²	7	52.7 Å²	52.7	4%	0.037	28%	0.275	C	S	.	.	H	α-helix	trans	-64.8	-48.5	178.6	-68.4	-175.3	0	0	0	112.4	F204 Y205 L207 W230 L231 Y232 S236 S237 W300	F204-L234 HydrophobicContact CB-CD1 4.1Å; F204-L234 HydrophobicContact CB-CD2 4.21Å; F204-L234 HydrophobicContact CB-CG 4.49Å; F204-L234 VanDerWaalsContact O-CD2 3.26Å; F204-L234 WeakPolarHBondContact O-CD2 3.49Å; Y205-L234 HydrophobicContact CD1-CD2 4.18Å; L207-L234 HydrophobicContact CB-CD1 3.97Å; L207-L234 HydrophobicContact CD2-CD1 4.34Å; W230-L234 HydrophobicContact CD2-CD1 4.49Å; W230-L234 HydrophobicContact CH2-CD1 4.44Å; W230-L234 HydrophobicContact CZ2-CD1 3.38Å; W230-L234 PolarHBondContact O-N 3.05Å; L231-L234 PolarHBondContact O-N 3.49Å; Y232-L234 VanDerWaalsContact C-N 3.26Å; Y232-L234 PolarHBondContact O-N 2.97Å; L234-S236 PolarHBondContact O-N 2.91Å; L234-S237 PolarHBondContact O-N 2.99Å; L234-S237 PolarHBondContact O-OG 3.07Å; L234-W300 HydrophobicContact CB-CH2 4.23Å; L234-W300 HydrophobicContact CB-CZ3 3.62Å; L234-W300 HydrophobicContact CD1-CH2 3.97Å; L234-W300 HydrophobicContact CD1-CZ3 4.15Å
235	L	83.3	Confident	69.1	Low	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-36.3	179.7	-66.1	171.5	0	0	0	111.4	L231 Y232 W300 L302 L322 H325 G394 I395 G396	L231-L235 WeakPolarHBondContact O-CG 3.44Å; L231-L235 PolarHBondContact O-N 2.61Å; Y232-L235 PolarHBondContact O-N 3.47Å; L235-W300 HydrophobicContact CD2-CD2 4.17Å; L235-W300 HydrophobicContact CD2-CE3 3.5Å; L235-W300 VanDerWaalsContact CD2-CE3 3.5Å; L235-W300 HydrophobicContact CD2-CH2 4.4Å; L235-W300 HydrophobicContact CD2-CZ3 3.6Å; L235-W300 HydrophobicContact CG-CE3 4.38Å; L235-W300 HydrophobicContact CG-CZ3 4.07Å; L235-L302 HydrophobicContact CD1-CD2 4.35Å; L235-L302 HydrophobicContact CD2-CB 4.29Å; L235-L322 HydrophobicContact CD1-CD2 3.71Å; L235-H325 PolarHBondContact O-CE1 2.86Å; L235-G394 CarbonylContact O-C 3.45Å; L235-G394 VanDerWaalsContact O-CA 3.22Å; L235-G394 WeakPolarHBondContact O-CA 3.28Å; L235-I395 PolarHBondContact O-N 2.77Å; L235-G396 PolarHBondContact O-N 2.95Å
236	S	79.4	Confident	66.3	Low	36 Å²	36	56.1 Å²	56.1	25%	0.252	30%	0.297	S	S	.	.	H	α-helix	trans	-83.9	-11.1	179.3	-59.8	0	0	0	0	114.8	Y232 I233 L234 T238 H325	Y232-S236 WeakPolarHBondContact O-CB 3.06Å; Y232-S236 PolarHBondContact O-N 3.17Å; Y232-S236 PolarHBondContact O-OG 3.37Å; I233-S236 PolarHBondContact O-N 3.34Å; L234-S236 PolarHBondContact O-N 2.91Å; S236-T238 PolarHBondContact O-N 3.5Å; S236-T238 VanDerWaalsContact O-N 3.11Å; S236-H325 PolarHBondContact OG-CD2 3.28Å; S236-H325 PolarHBondContact OG-NE2 3.1Å
237	S	69.5	Low	63.9	Low	24 Å²	24	60.1 Å²	60.1	17%	0.168	31%	0.307	C	S	.	.			trans	-73.2	106.6	-175.1	62.8	0	0	0	0	111.9	I233 L234 S239 I395	I233-S237 VanDerWaalsContact O-CB 3.26Å; I233-S237 WeakPolarHBondContact O-CB 3.46Å; I233-S237 PolarHBondContact O-N 3.3Å; L234-S237 PolarHBondContact O-N 2.99Å; L234-S237 PolarHBondContact O-OG 3.07Å; S237-S239 PolarHBondContact O-N 3.1Å; S237-I395 WeakPolarHBondContact O-CG1 3.38Å; S237-I395 WeakPolarHBondContact O-CG2 3.24Å
238	T	52.5	Low	61	Low	107 Å²	107	65.2 Å²	65.2	66%	0.656	34%	0.343	S	S	*	.			trans	-77.1	61.8	172.3	60.2	0	0	0	0	110.1	S236 L240	S236-T238 PolarHBondContact O-N 3.5Å; S236-T238 VanDerWaalsContact O-N 3.11Å; T238-L240 PolarHBondContact O-N 3.04Å
239	S	45.8	Very low	58.1	Low	77 Å²	77	71.8 Å²	71.8	54%	0.538	37%	0.368	S	S	.	.			trans	-69	121.6	158.5	-167.3	0	0	0	0	105.9	S237 Y241	S237-S239 PolarHBondContact O-N 3.1Å; S239-Y241 CarbonylContact O-C 3.46Å; S239-Y241 PolarHBondContact O-N 3.33Å; S239-Y241 VanDerWaalsContact O-O 3.1Å
240	L	32.9	Very low	55.2	Low	135 Å²	135	76 Å²	76	71%	0.707	39%	0.393	S	S	*	.	S	Bend	trans	-57.5	4.4	-174.8	-92.2	134	0	0	0	115.3	T238	T238-L240 PolarHBondContact O-N 3.04Å
241	Y	35.4	Very low	52.4	Low	165 Å²	165	80 Å²	80	65%	0.647	42%	0.424	S	S	*	.	S	Bend	trans	-131.3	131.3	170.9	-63.3	-86.7	0	0	0	107	S239	S239-Y241 CarbonylContact O-C 3.46Å; S239-Y241 PolarHBondContact O-N 3.33Å; S239-Y241 VanDerWaalsContact O-O 3.1Å
242	P	38.7	Very low	49.4	Very low	28 Å²	28	84.5 Å²	84.5	18%	0.182	46%	0.456	C	S	.	.			trans	-49.4	146	160.1	25.1	-32.2	0	0	0	106.8	T244	P242-T244 VanDerWaalsContact C-N 3.27Å; P242-T244 WeakPolarHBondContact O-CG2 3.16Å; P242-T244 PolarHBondContact O-N 2.87Å
243	P	43.3	Very low	46.6	Very low	34 Å²	34	92.2 Å²	92.2	22%	0.221	49%	0.485	C	S	.	.			trans	-59.4	96.6	-178.2	-19.6	29.6	0	0	0	109.5	C208 R245 I395	C208-P243 WeakPolarHBondContact SG-CB 3.39Å; C208-P243 VanDerWaalsContact SG-CD 3.52Å; C208-P243 WeakPolarHBondContact SG-CG 3.33Å; P243-R245 PolarHBondContact O-N 2.82Å; P243-I395 HydrophobicContact CG-CD1 4.31Å
244	T	39.5	Very low	43.9	Very low	90 Å²	90	92 Å²	92	55%	0.552	50%	0.499	S	S	*	.			trans	-75.3	120	-179.8	46.2	0	0	0	0	105.2	P242 D246	P242-T244 VanDerWaalsContact C-N 3.27Å; P242-T244 WeakPolarHBondContact O-CG2 3.16Å; P242-T244 PolarHBondContact O-N 2.87Å; T244-D246 PolarHBondContact O-N 3.43Å
245	R	48.6	Very low	41.3	Very low	79 Å²	79	100 Å²	100	30%	0.298	54%	0.536	S	S	.	.			trans	-76.7	38	179.9	-62.3	174.8	102.5	164.3	-6.6	111	S181 S182 L184 P243 R247	S181-R245 VanDerWaalsContact C-NH2 3.26Å; S181-R245 PolarHBondContact O-NE 3.15Å; S181-R245 PolarHBondContact O-NH2 3.43Å; S182-R245 VanDerWaalsContact C-NE 3.35Å; S182-R245 VanDerWaalsContact C-NH2 3.35Å; S182-R245 WeakPolarHBondContact O-CD 3.5Å; S182-R245 PolarHBondContact O-NE 2.88Å; S182-R245 VanDerWaalsContact O-NE 3.13Å; S182-R245 PolarHBondContact O-NH1 2.88Å; L184-R245 VanDerWaalsContact O-CZ 3.24Å; L184-R245 PolarHBondContact O-NH1 3.03Å; L184-R245 PolarHBondContact O-NH2 2.94Å; P243-R245 PolarHBondContact O-N 2.82Å; R245-R247 PolarHBondContact O-N 3.39Å
246	D	34.2	Very low	38.6	Very low	131 Å²	131	109.1 Å²	109.1	70%	0.701	58%	0.575	S	S	*	*			trans	-84.1	110.5	-177.1	-89.7	-25.1	0	0	0	110.9	T244 S248	T244-D246 PolarHBondContact O-N 3.43Å; D246-S248 PolarHBondContact O-N 2.96Å
247	R	38.6	Very low	36	Very low	99 Å²	99	117.6 Å²	117.6	37%	0.374	61%	0.608	S	S	.	*			trans	-70.3	70.7	158	-72.5	-175.2	-176.6	-177.6	1.6	108.6	L148 E151 R245 Y249	L148-R247 PolarHBondContact O-NH2 2.84Å; E151-R247 IonicContact OE1-CZ 3.99Å; E151-R247 IonicContact OE1-NH2 2.74Å; E151-R247 PolarHBondContact OE1-NH2 2.96Å; R245-R247 PolarHBondContact O-N 3.39Å; R247-Y249 VanDerWaalsContact C-N 3.3Å; R247-Y249 HydrophobicContact CB-CE2 4.33Å; R247-Y249 PolarHBondContact O-N 3.03Å
248	S	30.8	Very low	33.9	Very low	107 Å²	107	128.3 Å²	128.3	75%	0.748	65%	0.645	S	S	*	*			trans	-72.8	97.5	157.9	53.7	0	0	0	0	107.3	D246 N250	D246-S248 PolarHBondContact O-N 2.96Å; S248-N250 PolarHBondContact O-N 3.3Å
249	Y	32.7	Very low	32.6	Very low	140 Å²	140	127 Å²	127	55%	0.549	65%	0.652	S	S	.	*			trans	-54.5	111.4	168.5	-77.6	-90.9	0	0	0	108.2	R247 S251	R247-Y249 VanDerWaalsContact C-N 3.3Å; R247-Y249 HydrophobicContact CB-CE2 4.33Å; R247-Y249 PolarHBondContact O-N 3.03Å; Y249-S251 PolarHBondContact O-N 3Å
250	N	27.3	Very low	31.5	Very low	160 Å²	160	134.7 Å²	134.7	86%	0.856	67%	0.669	S	S	*	*			trans	-65.5	77.6	153.7	-99	-26.2	0	0	0	107.7	S248 S252	S248-N250 PolarHBondContact O-N 3.3Å; N250-S252 PolarHBondContact O-N 3.11Å
251	S	26.7	Very low	31.1	Very low	107 Å²	107	138.1 Å²	138.1	75%	0.748	67%	0.673	S	S	*	*			trans	-67	71.3	159	161.5	0	0	0	0	107.7	Y249	Y249-S251 PolarHBondContact O-N 3Å
252	S	26.4	Very low	30.6	Very low	96 Å²	96	138.7 Å²	138.7	67%	0.671	68%	0.681	S	S	*	*			trans	-172.9	81.6	169	-79.9	0	0	0	0	110.2	N250	N250-S252 PolarHBondContact O-N 3.11Å
253	R	29.7	Very low	30	Very low	248 Å²	248	149.1 Å²	149.1	94%	0.936	72%	0.717	S	S	*	*				163	115.2	123.3	-90.1	169.8	174	175.9	-0.8	111.8
254	G	26.2	Very low	29.1	Very low	61 Å²	61	158.7 Å²	158.7	63%	0.629	75%	0.749	S	S	*	*			trans	-70.8	166.6	162.8	0	0	0	0	0	113.4
255	H	26.2	Very low	28.5	Very low	176 Å²	176	162.8 Å²	162.8	82%	0.815	76%	0.761	S	S	*	*			trans	60.7	116.8	149.5	-60.3	-57.9	0	0	0	120.6
256	K	26.9	Very low	27.2	Very low	192 Å²	192	164.1 Å²	164.1	84%	0.835	78%	0.778	S	S	*	*			trans	75.3	113.9	136.1	-64.6	178	-178.1	176.3	0	118.3
257	F	24.2	Very low	26.9	Very low	213 Å²	213	167.3 Å²	167.3	93%	0.934	78%	0.782	S	S	*	*			trans	-30.3	126.5	152	-85.6	-97.2	0	0	0	114.6
258	R	25.2	Very low	26.2	Very low	250 Å²	250	168.5 Å²	168.5	94%	0.943	80%	0.8	S	S	*	*				-177.7	128.8	127.3	-103.4	-179.9	-176.5	-142.3	1	112.8
259	G	24.9	Very low	25.9	Very low	78 Å²	78	170.3 Å²	170.3	80%	0.804	81%	0.807	S	S	*	*			trans	85	105.1	136.1	0	0	0	0	0	119.1
260	W	23.6	Very low	25.5	Very low	240 Å²	240	169.3 Å²	169.3	91%	0.909	82%	0.82	S	S	*	*			trans	-69.4	136	157.7	-79.6	24.8	0	0	0	111.8
261	R	24.5	Very low	25.5	Very low	207 Å²	207	166.1 Å²	166.1	78%	0.781	82%	0.816	S	S	*	*				178.8	124.9	117.5	-95.8	-175.5	-171.4	-131.8	-0.1	111.9
262	H	25	Very low	25.4	Very low	176 Å²	176	168.4 Å²	168.4	82%	0.815	82%	0.819	S	S	*	*			trans	32.7	117.1	152.5	-69.6	-55.7	0	0	0	121.8
263	R	26.1	Very low	25.3	Very low	248 Å²	248	170.5 Å²	170.5	94%	0.936	82%	0.822	S	S	*	*				-154.2	135	119.2	-115.5	-178.9	-161.6	-148.4	3.9	111
264	R	23.3	Very low	25.1	Very low	235 Å²	235	165.8 Å²	165.8	89%	0.887	82%	0.815	S	S	*	*			trans	-57.4	135.3	171.3	-63.5	174.8	-175	176.5	0.1	109.7
265	H	26.9	Very low	25	Very low	175 Å²	175	167.4 Å²	167.4	81%	0.81	82%	0.817	S	S	*	*			trans	-163.1	124.7	134.7	-94.2	-68.3	0	0	0	108.9
266	T	22.6	Very low	25	Very low	108 Å²	108	163.8 Å²	163.8	66%	0.663	81%	0.811	S	S	*	*			trans	-35.9	139.3	155	46	0	0	0	0	113
267	Y	26.9	Very low	24.8	Very low	197 Å²	197	161.7 Å²	161.7	77%	0.773	81%	0.809	S	S	*	*			trans	168.4	97.8	145.8	-76	-56	0	0	0	106.6
268	T	23.4	Very low	25.1	Very low	125 Å²	125	157.6 Å²	157.6	77%	0.767	80%	0.802	S	S	*	*				43.5	95.2	98.9	59.6	0	0	0	0	113.7
269	T	25.9	Very low	25	Very low	145 Å²	145	150.4 Å²	150.4	89%	0.89	79%	0.79	S	S	*	*			trans	-96.7	104.2	163	43	0	0	0	0	109.1
270	S	24.4	Very low	25	Very low	118 Å²	118	152.6 Å²	152.6	83%	0.825	79%	0.788	S	S	*	*			trans	-103.7	124.7	164.2	-45.7	0	0	0	0	107.8
271	A	26.9	Very low	25.1	Very low	93 Å²	93	146.6 Å²	146.6	77%	0.769	78%	0.777	S	S	*	*			trans	-133.4	138.3	158.8	0	0	0	0	0	105.5
272	L	25	Very low	25.2	Very low	156 Å²	156	143.6 Å²	143.6	82%	0.817	78%	0.777	S	S	*	*			cis	-164.2	144.9	-6.3	-100.5	161.1	0	0	0	103.1
273	L	23.2	Very low	25.1	Very low	139 Å²	139	140.7 Å²	140.7	73%	0.728	77%	0.772	S	S	*	*			trans	-128.5	119.1	162.6	-88.4	167	0	0	0	108.6
274	L	25.1	Very low	25.1	Very low	149 Å²	149	134.2 Å²	134.2	78%	0.78	76%	0.76	S	S	*	*			trans	-72.9	145.1	165	-94.6	77.1	0	0	0	108.4
275	S	25.6	Very low	25.2	Very low	96 Å²	96	129.4 Å²	129.4	67%	0.671	75%	0.752	S	S	*	*				178	158	59.2	43.3	0	0	0	0	106.6
276	S	25.3	Very low	25	Very low	99 Å²	99	127.9 Å²	127.9	69%	0.692	75%	0.75	S	S	*	*				-177.8	142.3	73.8	47.9	0	0	0	0	113.9
277	N	23.7	Very low	25.2	Very low	149 Å²	149	129.3 Å²	129.3	80%	0.797	76%	0.759	S	S	*	*			trans	55.5	128	147	-56.5	-10.6	0	0	0	119
278	T	28.9	Very low	25	Very low	127 Å²	127	127.5 Å²	127.5	78%	0.779	76%	0.762	S	S	*	*				-160.5	140.3	63.1	41.7	0	0	0	0	114.6
279	S	23.1	Very low	24.9	Very low	99 Å²	99	127.6 Å²	127.6	69%	0.692	76%	0.763	S	S	*	*			trans	40.7	118.2	144.3	63.3	0	0	0	0	122.4
280	T	26.3	Very low	24.7	Very low	124 Å²	124	127.1 Å²	127.1	76%	0.761	76%	0.76	S	S	*	*				175.7	128.3	99.6	31.9	0	0	0	0	113.8
281	T	25.1	Very low	24.7	Very low	113 Å²	113	126.5 Å²	126.5	69%	0.693	75%	0.751	S	S	*	*			trans	69.5	117.2	144.4	60.3	0	0	0	0	123.6
282	N	26	Very low	24.5	Very low	144 Å²	144	129.2 Å²	129.2	77%	0.77	75%	0.753	S	S	*	*			trans	73.6	134.9	136.9	-58.3	-4.6	0	0	0	118.1
283	T	24	Very low	24.5	Very low	115 Å²	115	127.8 Å²	127.8	71%	0.706	75%	0.746	S	S	*	*			cis	-174.3	154.2	1.1	15.5	0	0	0	0	107.8
284	T	25.6	Very low	24.6	Very low	112 Å²	112	127.6 Å²	127.6	69%	0.687	75%	0.746	S	S	*	*			trans	79.8	105.2	150.6	54.9	0	0	0	0	123.1
285	N	25.5	Very low	24.8	Very low	134 Å²	134	125.8 Å²	125.8	72%	0.717	74%	0.741	S	S	*	*				94.3	106.7	116	-62.4	-3.5	0	0	0	122.3
286	N	23.3	Very low	25.4	Very low	143 Å²	143	130.5 Å²	130.5	77%	0.765	75%	0.749	S	S	*	*				64.6	112.6	128.2	-65.2	-6.8	0	0	0	121.2
287	T	26.1	Very low	26.3	Very low	139 Å²	139	132 Å²	132	85%	0.853	75%	0.745	S	S	*	*				-170	122.9	100.6	27.6	0	0	0	0	110.2
288	N	21.8	Very low	28.1	Very low	159 Å²	159	128.3 Å²	128.3	85%	0.85	73%	0.731	S	S	*	*			trans	-86.1	119.2	175.2	-70.4	-29.1	0	0	0	109.6
289	T	22.4	Very low	30.3	Very low	126 Å²	126	124.7 Å²	124.7	77%	0.773	71%	0.707	S	S	*	*			trans	-127.1	97.6	152.7	52.7	0	0	0	0	108.1	T291	T289-T291 PolarHBondContact O-N 3.21Å; T289-T291 VanDerWaalsContact O-N 3.1Å
290	T	22	Very low	33.1	Very low	135 Å²	135	120.6 Å²	120.6	83%	0.828	68%	0.676	S	S	*	*			trans	-70.5	92.2	171.8	44.6	0	0	0	0	109.7	N292	T290-N292 PolarHBondContact O-N 3.11Å
291	T	24.2	Very low	36.1	Very low	106 Å²	106	118.1 Å²	118.1	65%	0.65	66%	0.656	S	S	*	*			trans	-83.5	102.9	159.8	51.1	0	0	0	0	108.2	T289 N293	T289-T291 PolarHBondContact O-N 3.21Å; T289-T291 VanDerWaalsContact O-N 3.1Å; T291-N293 PolarHBondContact O-N 3.45Å
292	N	22.2	Very low	39.3	Very low	149 Å²	149	112.8 Å²	112.8	80%	0.797	62%	0.623	S	S	*	*			trans	-60.7	86.3	165.3	-104	-8.7	0	0	0	109.2	T290 N294	T290-N292 PolarHBondContact O-N 3.11Å; N292-N294 VanDerWaalsContact C-N 3.29Å; N292-N294 PolarHBondContact O-N 3.21Å; N292-N294 VanDerWaalsContact O-N 3.11Å
293	N	25.3	Very low	42.7	Very low	126 Å²	126	108.1 Å²	108.1	67%	0.674	60%	0.595	S	S	*	*			trans	-82	81.8	167.2	-77.8	-9.6	0	0	0	108.5	T291 T295	T291-N293 PolarHBondContact O-N 3.45Å; N293-T295 HydrophobicContact CB-CG2 4.2Å; N293-T295 PolarHBondContact O-N 3.11Å
294	N	24.2	Very low	46.2	Very low	135 Å²	135	102.7 Å²	102.7	72%	0.722	56%	0.561	S	S	*	*			trans	-65.2	86.2	155.4	-83.2	-14.9	0	0	0	107.3	N292 K296	N292-N294 VanDerWaalsContact C-N 3.29Å; N292-N294 PolarHBondContact O-N 3.21Å; N292-N294 VanDerWaalsContact O-N 3.11Å; N294-K296 PolarHBondContact O-N 2.91Å
295	T	31	Very low	49.6	Very low	112 Å²	112	97.3 Å²	97.3	69%	0.687	53%	0.528	S	S	*	.			trans	-71.5	77.5	176	51.8	0	0	0	0	109.4	N293 H297	N293-T295 HydrophobicContact CB-CG2 4.2Å; N293-T295 PolarHBondContact O-N 3.11Å; T295-H297 PolarHBondContact O-N 2.86Å; T295-H297 VanDerWaalsContact O-N 3.1Å
296	K	36.6	Very low	53	Low	194 Å²	194	91 Å²	91	84%	0.843	49%	0.494	S	S	*	.			trans	-56.7	111.9	163.1	-157.7	175.7	-172	178.7	0	106.2	N294 S298	N294-K296 PolarHBondContact O-N 2.91Å; K296-S298 PolarHBondContact O-N 2.84Å
297	H	44.1	Very low	56.6	Low	130 Å²	130	85.8 Å²	85.8	60%	0.602	47%	0.466	S	S	*	.			trans	-51.2	116.1	178.1	-69.4	-82	0	0	0	109	T295 I299	T295-H297 PolarHBondContact O-N 2.86Å; T295-H297 VanDerWaalsContact O-N 3.1Å; H297-I299 PolarHBondContact O-N 3.2Å
298	S	61.4	Low	59.9	Low	73 Å²	73	82.3 Å²	82.3	51%	0.51	44%	0.442	S	S	.	.			trans	-80.3	88.1	-168.5	60.6	0	0	0	0	110.6	K296 W300	K296-S298 PolarHBondContact O-N 2.84Å; S298-W300 PolarHBondContact O-N 2.73Å
299	I	76.3	Confident	63.4	Low	50 Å²	50	74.8 Å²	74.8	26%	0.256	40%	0.402	S	S	.	.			trans	-56.1	134.9	165.4	-66.7	129.8	0	0	0	108.6	H297 E301 L327 I329 Y397	H297-I299 PolarHBondContact O-N 3.2Å; I299-E301 PolarHBondContact O-N 3.06Å; I299-L327 HydrophobicContact CG2-CD1 3.65Å; I299-I329 HydrophobicContact CD1-CD1 3.32Å; I299-I329 HydrophobicContact CD1-CG1 3.76Å; I299-I329 HydrophobicContact CD1-CG2 4.23Å; I299-I329 HydrophobicContact CG1-CD1 3.96Å; I299-I329 HydrophobicContact CG1-CG1 4.4Å; I299-I329 HydrophobicContact CG2-CD1 4.39Å; I299-Y397 HydrophobicContact CG2-CD1 3.84Å; I299-Y397 HydrophobicContact CG2-CE1 3.77Å
300	W	82.2	Confident	66.9	Low	14 Å²	14	75.1 Å²	75.1	5%	0.053	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	108	-179.1	-176.6	28.9	0	0	0	111	L207 L209 L231 L234 L235 S298 L302 I395 G396 Y397	L207-W300 HydrophobicContact CD2-CH2 4.15Å; L207-W300 HydrophobicContact CD2-CZ2 4.06Å; L207-W300 HydrophobicContact CG-CZ2 4.33Å; L209-W300 PolarHBondContact O-NE1 3.16Å; L231-W300 HydrophobicContact CD2-CH2 4.44Å; L234-W300 HydrophobicContact CB-CH2 4.23Å; L234-W300 HydrophobicContact CB-CZ3 3.62Å; L234-W300 HydrophobicContact CD1-CH2 3.97Å; L234-W300 HydrophobicContact CD1-CZ3 4.15Å; L235-W300 HydrophobicContact CD2-CD2 4.17Å; L235-W300 HydrophobicContact CD2-CE3 3.5Å; L235-W300 VanDerWaalsContact CD2-CE3 3.5Å; L235-W300 HydrophobicContact CD2-CH2 4.4Å; L235-W300 HydrophobicContact CD2-CZ3 3.6Å; L235-W300 HydrophobicContact CG-CE3 4.38Å; L235-W300 HydrophobicContact CG-CZ3 4.07Å; S298-W300 PolarHBondContact O-N 2.73Å; W300-L302 HydrophobicContact CZ2-CB 4.49Å; W300-L302 HydrophobicContact CZ2-CD1 3.91Å; W300-I395 PolarHBondContact N-O 3.26Å; W300-G396 CarbonylContact O-C 3.44Å; W300-G396 WeakPolarHBondContact O-CA 3.43Å; W300-Y397 PolarHBondContact O-N 3.34Å
301	E	89.1	Confident	70.5	Confident	72 Å²	72	68.8 Å²	68.8	34%	0.336	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	102.6	175.6	-48.3	-167.6	148.5	0	0	109.5	I299 Y397 L399	I299-E301 PolarHBondContact O-N 3.06Å; E301-Y397 HydrophobicContact CB-CE1 4.29Å; E301-Y397 VanDerWaalsContact CD-OH 3.23Å; E301-Y397 HydrophobicContact CG-CE1 3.68Å; E301-Y397 PolarHBondContact OE1-OH 2.7Å; E301-L399 HydrophobicContact CB-CD2 4.37Å
302	L	92.2	Very high	73.9	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.8	-178.4	177.9	63.2	0	0	0	110.8	L212 L231 L235 W300 Y397 L398 L399 E400	L212-L302 HydrophobicContact CB-CD1 4.23Å; L231-L302 HydrophobicContact CD1-CD2 4.32Å; L231-L302 HydrophobicContact CD2-CD2 3.95Å; L235-L302 HydrophobicContact CD1-CD2 4.35Å; L235-L302 HydrophobicContact CD2-CB 4.29Å; W300-L302 HydrophobicContact CZ2-CB 4.49Å; W300-L302 HydrophobicContact CZ2-CD1 3.91Å; L302-Y397 PolarHBondContact N-O 3.43Å; L302-L398 HydrophobicContact CD2-CD1 4.24Å; L302-L398 HydrophobicContact CG-CD1 4.2Å; L302-L399 PolarHBondContact O-N 3.28Å; L302-E400 PolarHBondContact O-N 2.81Å
303	R	96.6	Very high	77.4	Confident	47 Å²	47	60.8 Å²	60.8	18%	0.177	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.2	163.5	-53.4	-164.3	-179.7	107.6	3.3	109.7	E210 R211 L212 E400	E210-R303 WeakPolarHBondContact O-CB 3.44Å; E210-R303 WeakPolarHBondContact O-CG 3.32Å; E210-R303 PolarHBondContact O-N 3.28Å; E210-R303 IonicContact OE1-CZ 3.81Å; E210-R303 IonicContact OE1-NH1 3.89Å; E210-R303 PolarHBondContact OE1-NH1 3.35Å; E210-R303 IonicContact OE1-NH2 2.77Å; R211-R303 CarbonylContact C-O 3.2Å; R211-R303 VanDerWaalsContact CA-O 3.32Å; R211-R303 WeakPolarHBondContact CA-O 3.45Å; R211-R303 HydrophobicContact CB-CB 4.16Å; R211-R303 HydrophobicContact CG-CB 4.11Å; L212-R303 PolarHBondContact N-O 2.91Å; R303-E400 HydrophobicContact CB-CB 3.77Å; R303-E400 HydrophobicContact CB-CG 4.2Å; R303-E400 HydrophobicContact CG-CB 3.7Å; R303-E400 HydrophobicContact CG-CG 4.46Å
304	L	97.3	Very high	80.7	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.6	-175	179.7	65.9	0	0	0	111.2	L212 M228 L231 L306 L322 L398 E400 L401 N402	L212-L304 WeakPolarHBondContact O-CA 3.37Å; M228-L304 HydrophobicContact CE-CD2 3.95Å; M228-L304 HydrophobicContact SD-CD2 4.35Å; L231-L304 HydrophobicContact CD1-CD1 3.96Å; L231-L304 HydrophobicContact CD1-CD2 3.92Å; L304-L306 HydrophobicContact CD1-CD2 4.32Å; L304-L306 HydrophobicContact CD1-CG 4.49Å; L304-L306 HydrophobicContact CD2-CD1 4.2Å; L304-L306 HydrophobicContact CD2-CG 4.34Å; L304-L306 HydrophobicContact CG-CG 4.21Å; L304-L322 HydrophobicContact CD2-CD1 4.09Å; L304-L398 HydrophobicContact CB-CD1 3.7Å; L304-E400 PolarHBondContact N-O 3.04Å; L304-L401 HydrophobicContact CB-CD1 4.39Å; L304-L401 HydrophobicContact CD2-CD1 4.07Å; L304-L401 HydrophobicContact CG-CD1 4.36Å; L304-L401 WeakPolarHBondContact O-CA 3.45Å; L304-N402 PolarHBondContact O-N 2.76Å
305	G	97.7	Very high	84.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.6	170.3	0	0	0	0	0	112.3	L212 N213 F214	L212-G305 PolarHBondContact O-N 3.04Å; N213-G305 CarbonylContact C-O 3.6Å; N213-G305 WeakPolarHBondContact CA-O 3.49Å; N213-G305 WeakPolarHBondContact OD1-CA 3.5Å; N213-G305 PolarHBondContact OD1-N 2.87Å; F214-G305 PolarHBondContact N-O 2.94Å
306	L	97.6	Very high	87.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.243	C	C	.	.			trans	-124.4	44	176.2	-61.5	173.6	0	0	0	110.7	F214 L219 L224 L227 M228 L304 N309 L311 I319 N402 L403 N406	F214-L306 HydrophobicContact CB-CD2 4.27Å; F214-L306 HydrophobicContact CD2-CD2 4.19Å; F214-L306 CarbonylContact O-C 3.5Å; F214-L306 WeakPolarHBondContact O-CA 3.45Å; L219-L306 HydrophobicContact CD1-CD2 4.03Å; L224-L306 HydrophobicContact CD1-CD1 3.88Å; L227-L306 HydrophobicContact CD2-CD2 4.05Å; M228-L306 HydrophobicContact CE-CD1 4.14Å; L304-L306 HydrophobicContact CD1-CD2 4.32Å; L304-L306 HydrophobicContact CD1-CG 4.49Å; L304-L306 HydrophobicContact CD2-CD1 4.2Å; L304-L306 HydrophobicContact CD2-CG 4.34Å; L304-L306 HydrophobicContact CG-CG 4.21Å; L306-N309 PolarHBondContact O-ND2 3.07Å; L306-N309 VanDerWaalsContact O-ND2 3.09Å; L306-L311 HydrophobicContact CB-CD1 4.12Å; L306-L311 HydrophobicContact CD1-CD1 4.5Å; L306-I319 HydrophobicContact CD1-CD1 4.08Å; L306-N402 PolarHBondContact N-O 3.26Å; L306-L403 HydrophobicContact CB-CD2 4.06Å; L306-L403 HydrophobicContact CD1-CD2 4.06Å; L306-N406 PolarHBondContact O-ND2 3.2Å
307	M	97.2	Very high	89.9	Confident	34 Å²	34	44.2 Å²	44.2	17%	0.167	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	142.9	-173.8	-64	173.8	-86.2	0	0	112.4	F214 I215 D216 N309 N402 S404	F214-M307 PolarHBondContact O-N 3.31Å; I215-M307 WeakPolarHBondContact CA-O 3.34Å; I215-M307 HydrophobicContact CD1-CE 3.84Å; I215-M307 HydrophobicContact CG1-CB 4.48Å; I215-M307 HydrophobicContact CG1-CE 3.98Å; D216-M307 PolarHBondContact N-O 3.21Å; D216-M307 VanDerWaalsContact N-O 3.08Å; M307-N309 VanDerWaalsContact C-N 3.26Å; M307-N309 PolarHBondContact O-N 3.37Å; M307-N309 PolarHBondContact O-ND2 2.79Å; M307-N309 VanDerWaalsContact O-ND2 3.08Å; M307-N402 WeakPolarHBondContact CG-OD1 3.01Å; M307-N402 PolarHBondContact SD-ND2 2.83Å; M307-N402 VanDerWaalsContact SD-ND2 3.41Å; M307-S404 VanDerWaalsContact CA-O 3.24Å; M307-S404 WeakPolarHBondContact CA-O 3.42Å
308	N	96.6	Very high	92.4	Very high	67 Å²	67	38.7 Å²	38.7	36%	0.358	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	34.8	173.6	-162.5	32.5	0	0	0	114.6	D216 S404 H405	D216-N308 VanDerWaalsContact CA-O 3.25Å; D216-N308 WeakPolarHBondContact CA-O 3.26Å; D216-N308 HydrophobicContact CB-CB 4.42Å; N308-S404 PolarHBondContact N-O 2.86Å; N308-H405 WeakPolarHBondContact CA-O 3.19Å; N308-H405 HydrophobicContact CB-CB 4.39Å; N308-H405 PolarHBondContact N-O 3.26Å
309	N	96.2	Very high	94	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.183	C	C	.	.	S	Bend	trans	-94.3	4.4	177	-76.1	-78.7	0	0	0	113.3	F214 C217 N218 L219 T220 L306 M307 L311 N406	F214-N309 PolarHBondContact O-ND2 2.97Å; C217-N309 WeakPolarHBondContact CA-OD1 3.17Å; C217-N309 PolarHBondContact N-OD1 3.23Å; N218-N309 PolarHBondContact N-OD1 3.31Å; L219-N309 HydrophobicContact CB-CB 4.33Å; L219-N309 PolarHBondContact N-OD1 3.39Å; L219-N309 VanDerWaalsContact N-OD1 3.16Å; T220-N309 WeakPolarHBondContact CG2-O 3.42Å; L306-N309 PolarHBondContact O-ND2 3.07Å; L306-N309 VanDerWaalsContact O-ND2 3.09Å; M307-N309 VanDerWaalsContact C-N 3.26Å; M307-N309 PolarHBondContact O-N 3.37Å; M307-N309 PolarHBondContact O-ND2 2.79Å; M307-N309 VanDerWaalsContact O-ND2 3.08Å; N309-L311 HydrophobicContact CB-CD2 4.14Å; N309-L311 HydrophobicContact CB-CG 4.07Å; N309-L311 PolarHBondContact O-N 3.41Å; N309-N406 PolarHBondContact N-OD1 3.33Å
310	K	95.1	Very high	94.9	Very high	133 Å²	133	33.3 Å²	33.3	58%	0.578	17%	0.173	S	C	*	.			trans	60.4	33.8	-176.5	-51.3	172.4	-176.1	171.7	0	112.6	N406	K310-N406 PolarHBondContact N-OD1 3.1Å
311	L	96.6	Very high	95.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.182	C	C	.	.			trans	-61	137.2	178.1	-57.9	177.3	0	0	0	110.4	L219 T220 L224 L306 N309 D315 L403 N406 N407 I408	L219-L311 WeakPolarHBondContact O-CD2 3.44Å; T220-L311 HydrophobicContact CG2-CD2 4.4Å; L224-L311 HydrophobicContact CD2-CD2 3.72Å; L306-L311 HydrophobicContact CB-CD1 4.12Å; L306-L311 HydrophobicContact CD1-CD1 4.5Å; N309-L311 HydrophobicContact CB-CD2 4.14Å; N309-L311 HydrophobicContact CB-CG 4.07Å; N309-L311 PolarHBondContact O-N 3.41Å; L311-D315 HydrophobicContact CB-CB 4.34Å; L311-D315 HydrophobicContact CD2-CB 3.99Å; L311-L403 HydrophobicContact CD1-CD2 4.02Å; L311-N406 HydrophobicContact CB-CB 3.94Å; L311-N406 HydrophobicContact CG-CB 4.48Å; L311-N406 WeakPolarHBondContact CG-OD1 3.41Å; L311-N406 PolarHBondContact N-OD1 2.86Å; L311-N407 CarbonylContact O-C 3.57Å; L311-N407 WeakPolarHBondContact O-CA 3.35Å; L311-N407 PolarHBondContact O-N 3.11Å; L311-I408 HydrophobicContact CB-CG1 4.36Å; L311-I408 PolarHBondContact O-N 2.91Å
312	T	95.8	Very high	95.5	Very high	50 Å²	50	31 Å²	31	31%	0.307	17%	0.166	S	C	.	.			trans	-111.4	178	173	68.2	0	0	0	0	111.2	S314 D315	T312-S314 VanDerWaalsContact C-N 3.25Å; T312-S314 PolarHBondContact O-N 3.15Å; T312-S314 PolarHBondContact OG1-OG 3.03Å; T312-D315 PolarHBondContact N-OD2 3.2Å; T312-D315 WeakPolarHBondContact O-CB 3.38Å; T312-D315 PolarHBondContact O-N 3.07Å; T312-D315 PolarHBondContact OG1-OD2 3.24Å
313	S	95.3	Very high	95.5	Very high	38 Å²	38	31.1 Å²	31.1	27%	0.266	17%	0.167	S	C	.	.	H	α-helix	trans	-54.6	-37.7	176.4	56.6	0	0	0	0	113.6	D315 V316 I415	S313-D315 VanDerWaalsContact C-N 3.28Å; S313-D315 PolarHBondContact O-N 3.29Å; S313-V316 PolarHBondContact O-N 3.02Å; S313-I415 WeakPolarHBondContact O-CD1 3.49Å
314	S	94.9	Very high	95.2	Very high	79 Å²	79	33.5 Å²	33.5	55%	0.552	18%	0.176	S	C	*	.	H	α-helix	trans	-66.3	-29.3	177.9	58.1	0	0	0	0	113.5	T312	T312-S314 VanDerWaalsContact C-N 3.25Å; T312-S314 PolarHBondContact O-N 3.15Å; T312-S314 PolarHBondContact OG1-OG 3.03Å
315	D	96.1	Very high	94.6	Very high	13 Å²	13	34.5 Å²	34.5	7%	0.07	18%	0.181	C	C	.	.	H	α-helix	trans	-75.3	-27.5	-178.6	-67.9	-44.5	0	0	0	112	G221 L224 L311 T312 S313 E317 A318	G221-D315 WeakPolarHBondContact CA-OD1 3.4Å; G221-D315 PolarHBondContact N-OD1 3.49Å; L224-D315 HydrophobicContact CD2-CB 3.71Å; L224-D315 WeakPolarHBondContact CD2-O 3.27Å; L311-D315 HydrophobicContact CB-CB 4.34Å; L311-D315 HydrophobicContact CD2-CB 3.99Å; T312-D315 PolarHBondContact N-OD2 3.2Å; T312-D315 WeakPolarHBondContact O-CB 3.38Å; T312-D315 PolarHBondContact O-N 3.07Å; T312-D315 PolarHBondContact OG1-OD2 3.24Å; S313-D315 VanDerWaalsContact C-N 3.28Å; S313-D315 PolarHBondContact O-N 3.29Å; D315-E317 PolarHBondContact O-N 2.75Å; D315-A318 WeakPolarHBondContact O-CB 3.24Å; D315-A318 PolarHBondContact O-N 2.69Å; D315-A318 VanDerWaalsContact O-N 3.14Å
316	V	95.9	Very high	93.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-31.4	-178.5	-179	0	0	0	0	112	S313 A318 I319 I408 I415 L416	S313-V316 PolarHBondContact O-N 3.02Å; V316-A318 PolarHBondContact O-N 3.29Å; V316-I319 WeakPolarHBondContact O-CB 3.13Å; V316-I319 PolarHBondContact O-N 2.77Å; V316-I408 HydrophobicContact CG2-CD1 4.25Å; V316-I408 HydrophobicContact CG2-CG1 4.17Å; V316-I408 HydrophobicContact CG2-CG2 3.83Å; V316-I415 HydrophobicContact CB-CG2 4.34Å; V316-I415 HydrophobicContact CG1-CB 4.41Å; V316-I415 HydrophobicContact CG1-CG2 4.08Å; V316-L416 HydrophobicContact CG1-CB 3.96Å; V316-L416 HydrophobicContact CG1-CD1 3.88Å
317	E	94.3	Very high	92.9	Very high	125 Å²	125	35.3 Å²	35.3	58%	0.584	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-35	177.2	-68.6	-167.8	172.3	0	0	112.6	D315 I319 L320 I415	D315-E317 PolarHBondContact O-N 2.75Å; E317-I319 PolarHBondContact O-N 3.41Å; E317-L320 PolarHBondContact O-N 2.67Å; E317-I415 HydrophobicContact CG-CD1 4.36Å; E317-I415 HydrophobicContact CG-CG2 3.92Å
318	A	95.2	Very high	91.7	Very high	14 Å²	14	33.9 Å²	33.9	12%	0.116	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.2	178.6	0	0	0	0	0	112.8	L224 Y225 M228 D315 V316 P321	L224-A318 HydrophobicContact CD2-CB 4.23Å; L224-A318 HydrophobicContact CG-CB 4.27Å; Y225-A318 HydrophobicContact CD2-CB 4.26Å; M228-A318 WeakPolarHBondContact CB-O 3.31Å; M228-A318 HydrophobicContact CG-CB 4.27Å; M228-A318 VanDerWaalsContact CG-O 3.31Å; M228-A318 WeakPolarHBondContact CG-O 3.35Å; D315-A318 WeakPolarHBondContact O-CB 3.24Å; D315-A318 PolarHBondContact O-N 2.69Å; D315-A318 VanDerWaalsContact O-N 3.14Å; V316-A318 PolarHBondContact O-N 3.29Å; A318-P321 WeakPolarHBondContact O-CD 3.4Å
319	I	96.4	Very high	90.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-24.4	-176.1	-51.9	178.2	0	0	0	111.3	L224 M228 L306 V316 E317 L322 I323 L401 L403	L224-I319 HydrophobicContact CD2-CG1 4.44Å; M228-I319 HydrophobicContact CG-CG1 4.36Å; M228-I319 HydrophobicContact SD-CB 4.35Å; M228-I319 HydrophobicContact SD-CG1 4.04Å; M228-I319 HydrophobicContact SD-CG2 4.32Å; L306-I319 HydrophobicContact CD1-CD1 4.08Å; V316-I319 WeakPolarHBondContact O-CB 3.13Å; V316-I319 PolarHBondContact O-N 2.77Å; E317-I319 PolarHBondContact O-N 3.41Å; I319-L322 WeakPolarHBondContact O-CB 3.3Å; I319-L322 PolarHBondContact O-N 3.46Å; I319-I323 HydrophobicContact CG2-CD1 4.01Å; I319-I323 HydrophobicContact CG2-CG1 4.31Å; I319-I323 PolarHBondContact O-N 2.88Å; I319-L401 HydrophobicContact CG2-CD1 4.39Å; I319-L401 HydrophobicContact CG2-CD2 3.94Å; I319-L403 HydrophobicContact CD1-CD1 4.34Å; I319-L403 HydrophobicContact CD1-CD2 3.82Å
320	L	94.7	Very high	88.8	Confident	10 Å²	10	33 Å²	33	5%	0.052	17%	0.173	C	C	.	.	H	α-helix	trans	-54.3	-37.2	-173.8	-56.8	-176.5	0	0	0	115.4	E317 L322 I323 R324 I415	E317-L320 PolarHBondContact O-N 2.67Å; L320-L322 VanDerWaalsContact C-N 3.26Å; L320-L322 PolarHBondContact O-N 2.97Å; L320-I323 HydrophobicContact CD2-CD1 4.45Å; L320-I323 PolarHBondContact O-N 3.44Å; L320-R324 WeakPolarHBondContact O-CB 3.36Å; L320-R324 VanDerWaalsContact O-CG 3.24Å; L320-R324 WeakPolarHBondContact O-CG 3.34Å; L320-R324 PolarHBondContact O-N 3.13Å; L320-I415 HydrophobicContact CD1-CG2 3.87Å; L320-I415 HydrophobicContact CD2-CG2 4.27Å; L320-I415 HydrophobicContact CG-CG2 4.41Å
321	P	92	Very high	86.9	Confident	38 Å²	38	30.6 Å²	30.6	25%	0.247	17%	0.167	C	C	.	.	H	α-helix	trans	-56.3	-38.7	176.1	-26.7	36.4	0	0	0	113.3	Y232 A318 H325	Y232-P321 HydrophobicContact CD2-CB 3.83Å; Y232-P321 HydrophobicContact CE2-CB 4.23Å; Y232-P321 HydrophobicContact CG-CB 4.17Å; A318-P321 WeakPolarHBondContact O-CD 3.4Å; P321-H325 PolarHBondContact O-N 3.04Å
322	L	92.4	Very high	84.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.8	-41.2	178	-60.9	179.9	0	0	0	111.8	M228 L231 L235 L304 I319 L320 R324 H325 L398	M228-L322 HydrophobicContact CE-CD1 4.22Å; M228-L322 HydrophobicContact SD-CD1 3.4Å; M228-L322 WeakPolarHBondContact SD-CD1 3.48Å; M228-L322 HydrophobicContact SD-CG 4.37Å; L231-L322 HydrophobicContact CB-CD1 4.08Å; L231-L322 HydrophobicContact CB-CD2 3.76Å; L231-L322 HydrophobicContact CD1-CD1 4.02Å; L235-L322 HydrophobicContact CD1-CD2 3.71Å; L304-L322 HydrophobicContact CD2-CD1 4.09Å; I319-L322 WeakPolarHBondContact O-CB 3.3Å; I319-L322 PolarHBondContact O-N 3.46Å; L320-L322 VanDerWaalsContact C-N 3.26Å; L320-L322 PolarHBondContact O-N 2.97Å; L322-R324 VanDerWaalsContact C-N 3.32Å; L322-R324 PolarHBondContact O-N 3.48Å; L322-H325 PolarHBondContact O-N 3.43Å; L322-L398 HydrophobicContact CB-CD2 4.03Å
323	I	92.8	Very high	81.7	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-67.5	-34.1	-179.9	-63.5	172	0	0	0	111.7	I319 L320 H325 L398 L401 L416 L420 S423	I319-I323 HydrophobicContact CG2-CD1 4.01Å; I319-I323 HydrophobicContact CG2-CG1 4.31Å; I319-I323 PolarHBondContact O-N 2.88Å; L320-I323 HydrophobicContact CD2-CD1 4.45Å; L320-I323 PolarHBondContact O-N 3.44Å; I323-H325 VanDerWaalsContact C-N 3.34Å; I323-L398 HydrophobicContact CG1-CD2 4.35Å; I323-L401 HydrophobicContact CD1-CD2 3.96Å; I323-L401 HydrophobicContact CG1-CD2 4.27Å; I323-L416 HydrophobicContact CD1-CD1 3.23Å; I323-L416 HydrophobicContact CD1-CG 4.26Å; I323-L420 HydrophobicContact CG2-CD2 3.58Å; I323-L420 HydrophobicContact CG2-CG 4.03Å; I323-S423 WeakPolarHBondContact O-CB 3.42Å; I323-S423 PolarHBondContact O-OG 3.31Å
324	R	89.2	Confident	78.7	Confident	98 Å²	98	40.9 Å²	40.9	37%	0.37	24%	0.239	S	C	.	.	H	α-helix	trans	-76	-23.6	178.1	-67.9	168.5	-174.3	171.2	3.6	112.4	L320 L322 H326	L320-R324 WeakPolarHBondContact O-CB 3.36Å; L320-R324 VanDerWaalsContact O-CG 3.24Å; L320-R324 WeakPolarHBondContact O-CG 3.34Å; L320-R324 PolarHBondContact O-N 3.13Å; L322-R324 VanDerWaalsContact C-N 3.32Å; L322-R324 PolarHBondContact O-N 3.48Å; R324-H326 PolarHBondContact O-ND1 2.86Å
325	H	85.3	Confident	75.4	Confident	21 Å²	21	43.1 Å²	43.1	10%	0.097	26%	0.255	C	S	.	.			trans	-72.2	130.2	178.3	-166.3	-88.2	0	0	0	110.9	Y232 L235 S236 P321 L322 I323 G396	Y232-H325 HydrophobicContact CE2-CB 4.34Å; Y232-H325 AromaticContact CE2-CD2 3.95Å; L235-H325 PolarHBondContact O-CE1 2.86Å; S236-H325 PolarHBondContact OG-CD2 3.28Å; S236-H325 PolarHBondContact OG-NE2 3.1Å; P321-H325 PolarHBondContact O-N 3.04Å; L322-H325 PolarHBondContact O-N 3.43Å; I323-H325 VanDerWaalsContact C-N 3.34Å; H325-G396 PolarHBondContact CE1-O 3.35Å; H325-G396 PolarHBondContact ND1-O 3.04Å; H325-G396 VanDerWaalsContact ND1-O 3.14Å
326	H	80.7	Confident	72.1	Confident	16 Å²	16	50.9 Å²	50.9	7%	0.074	29%	0.291	C	S	.	.			trans	-149.5	161.8	-177.5	59	-83.2	0	0	0	110.5	R324 F328 R427 E430 C473	R324-H326 PolarHBondContact O-ND1 2.86Å; H326-F328 AromaticContact CD2-CE2 3.58Å; H326-F328 AromaticContact NE2-CE2 3.65Å; H326-R427 HydrophobicContact CB-CG 4.37Å; H326-R427 WeakPolarHBondContact CD2-CG 2.95Å; H326-E430 IonicContact NE2-OE2 3.81Å; H326-C473 WeakPolarHBondContact CA-O 3.48Å
327	L	77.8	Confident	68.7	Low	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.1	176.6	-55.2	177.8	0	0	0	111.1	I299 I329 G394 Y397 C473	I299-L327 HydrophobicContact CG2-CD1 3.65Å; L327-I329 HydrophobicContact CB-CD1 4.42Å; L327-G394 WeakPolarHBondContact CD2-O 3.42Å; L327-Y397 HydrophobicContact CD1-CD1 4.01Å; L327-C473 HydrophobicContact CB-CB 4.04Å; L327-C473 PolarHBondContact N-O 3Å; L327-C473 PolarHBondContact O-N 3.42Å
328	F	72.1	Confident	65.6	Low	4 Å²	4	55.3 Å²	55.3	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.7	163.3	-66.9	-81.7	0	0	0	109.7	H326 V392 R427 E430 R431 M470 I472	H326-F328 AromaticContact CD2-CE2 3.58Å; H326-F328 AromaticContact NE2-CE2 3.65Å; F328-V392 HydrophobicContact CB-CB 4.39Å; F328-V392 PolarHBondContact N-O 2.97Å; F328-V392 PolarHBondContact O-N 3.12Å; F328-V392 VanDerWaalsContact O-N 3.13Å; F328-R427 HydrophobicContact CE2-CG 4.24Å; F328-R427 HydrophobicContact CZ-CB 3.8Å; F328-R427 HydrophobicContact CZ-CG 3.76Å; F328-E430 HydrophobicContact CE2-CB 3.96Å; F328-R431 HydrophobicContact CE1-CG 3.66Å; F328-R431 HydrophobicContact CZ-CG 3.77Å; F328-M470 HydrophobicContact CB-CB 4.37Å; F328-M470 HydrophobicContact CB-CE 4.39Å; F328-M470 HydrophobicContact CB-SD 3.77Å; F328-I472 HydrophobicContact CD1-CG1 3.95Å; F328-I472 HydrophobicContact CE1-CD1 4.37Å; F328-I472 HydrophobicContact CE1-CG1 3.7Å
329	I	70.3	Confident	62.2	Low	30 Å²	30	63.1 Å²	63.1	15%	0.154	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123	-179.5	-64.1	141.4	0	0	0	108.9	I299 L327 N331 P391 M470 K471 C473	I299-I329 HydrophobicContact CD1-CD1 3.32Å; I299-I329 HydrophobicContact CD1-CG1 3.76Å; I299-I329 HydrophobicContact CD1-CG2 4.23Å; I299-I329 HydrophobicContact CG1-CD1 3.96Å; I299-I329 HydrophobicContact CG1-CG1 4.4Å; I299-I329 HydrophobicContact CG2-CD1 4.39Å; L327-I329 HydrophobicContact CB-CD1 4.42Å; I329-N331 PolarHBondContact O-N 3.38Å; I329-P391 HydrophobicContact CG1-CB 4.04Å; I329-M470 CarbonylContact O-C 3.59Å; I329-M470 WeakPolarHBondContact O-CA 3.41Å; I329-K471 PolarHBondContact N-O 3.43Å; I329-K471 PolarHBondContact O-N 3.35Å; I329-C473 HydrophobicContact CD1-CB 4.05Å; I329-C473 WeakPolarHBondContact CD1-SG 3.45Å
330	P	62.1	Low	58.8	Low	21 Å²	21	70 Å²	70	14%	0.136	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	128.1	174.6	19.6	-26.8	0	0	0	111.5	I332 F389 I468	P330-I332 PolarHBondContact O-N 2.97Å; P330-I332 VanDerWaalsContact O-N 3.14Å; P330-F389 HydrophobicContact CG-CB 4.07Å; P330-F389 HydrophobicContact CG-CD1 4.22Å; P330-F389 HydrophobicContact CG-CG 4.33Å; P330-I468 HydrophobicContact CB-CB 4.49Å; P330-I468 HydrophobicContact CB-CG2 3.51Å
331	N	55.7	Low	55.5	Low	81 Å²	81	78 Å²	78	43%	0.433	43%	0.425	S	S	.	.			trans	-75.1	100.5	170.3	-73.4	-30.7	0	0	0	108.5	I329 P469 K471	I329-N331 PolarHBondContact O-N 3.38Å; N331-P469 WeakPolarHBondContact CA-O 3.26Å; N331-P469 HydrophobicContact CB-CB 4.49Å; N331-P469 HydrophobicContact CB-CG 4.22Å; N331-P469 WeakPolarHBondContact CB-O 3.34Å; N331-P469 PolarHBondContact N-O 2.84Å; N331-P469 PolarHBondContact ND2-O 3.44Å; N331-K471 WeakPolarHBondContact OD1-CB 3.39Å
332	I	48.7	Very low	52.3	Low	123 Å²	123	78.2 Å²	78.2	63%	0.631	43%	0.434	S	S	*	.			trans	-90.5	101.7	168.6	-53.5	168.8	0	0	0	106.6	P330	P330-I332 PolarHBondContact O-N 2.97Å; P330-I332 VanDerWaalsContact O-N 3.14Å
333	S	32.9	Very low	49.2	Very low	121 Å²	121	86.3 Å²	86.3	85%	0.846	47%	0.471	S	S	*	.			trans	-88	106.7	171.2	54.8	0	0	0	0	109.2
334	G	32.5	Very low	46.1	Very low	61 Å²	61	94.4 Å²	94.4	63%	0.629	51%	0.506	S	S	*	.	S	Bend	trans	132.9	147.7	166.8	0	0	0	0	0	115.5	E336	G334-E336 PolarHBondContact O-N 2.97Å
335	S	25.4	Very low	43.1	Very low	126 Å²	126	97.4 Å²	97.4	88%	0.881	53%	0.53	S	S	*	.			trans	-61.9	76.5	-179.2	164.1	0	0	0	0	113.6
336	E	27	Very low	40.3	Very low	176 Å²	176	103.4 Å²	103.4	82%	0.822	56%	0.562	S	S	*	*			trans	-116.1	105.8	158.3	-77.1	-171.5	165	0	0	109.1	G334 V338	G334-E336 PolarHBondContact O-N 2.97Å; E336-V338 PolarHBondContact O-N 2.86Å
337	T	26	Very low	37.9	Very low	111 Å²	111	110.3 Å²	110.3	68%	0.681	60%	0.6	S	S	*	*			trans	-58	104.6	163.3	49.2	0	0	0	0	107.8	K339	T337-K339 VanDerWaalsContact C-N 3.31Å; T337-K339 PolarHBondContact O-N 3.16Å
338	V	27.9	Very low	35.5	Very low	108 Å²	108	118.1 Å²	118.1	66%	0.655	64%	0.642	S	S	*	*			trans	-63.3	96.7	168.5	179.3	0	0	0	0	107.2	E336 F340	E336-V338 PolarHBondContact O-N 2.86Å; V338-F340 HydrophobicContact CG1-CD2 4.48Å; V338-F340 HydrophobicContact CG1-CE2 4.3Å; V338-F340 HydrophobicContact CG1-CZ 4.49Å; V338-F340 PolarHBondContact O-N 3.07Å
339	K	23.5	Very low	33.6	Very low	178 Å²	178	122.9 Å²	122.9	77%	0.774	68%	0.676	S	S	*	*			trans	-74.5	112.2	164.1	-75.4	-177.9	179.1	175.8	0	106.4	T337 E341	T337-K339 VanDerWaalsContact C-N 3.31Å; T337-K339 PolarHBondContact O-N 3.16Å; K339-E341 VanDerWaalsContact C-N 3.31Å; K339-E341 PolarHBondContact O-N 2.81Å
340	F	26.2	Very low	31.6	Very low	145 Å²	145	128.6 Å²	128.6	64%	0.636	71%	0.706	S	S	*	*			trans	-66.2	94.5	165.9	-75.2	-85.8	0	0	0	108.3	V338 G342 D388	V338-F340 HydrophobicContact CG1-CD2 4.48Å; V338-F340 HydrophobicContact CG1-CE2 4.3Å; V338-F340 HydrophobicContact CG1-CZ 4.49Å; V338-F340 PolarHBondContact O-N 3.07Å; F340-G342 PolarHBondContact O-N 2.67Å; F340-D388 WeakPolarHBondContact CE1-OD1 3.42Å
341	E	24.6	Very low	30.3	Very low	179 Å²	179	133.1 Å²	133.1	84%	0.836	74%	0.738	S	S	*	*			trans	-79.6	109.2	175.7	-156.6	155.5	-151	0	0	108.3	K339 H343	K339-E341 VanDerWaalsContact C-N 3.31Å; K339-E341 PolarHBondContact O-N 2.81Å; E341-H343 PolarHBondContact O-N 2.97Å; E341-H343 VanDerWaalsContact O-N 3.08Å
342	G	24.9	Very low	28.9	Very low	41 Å²	41	135.9 Å²	135.9	42%	0.423	75%	0.753	S	S	.	*			trans	-62	110.5	175.1	0	0	0	0	0	110	F340 K344	F340-G342 PolarHBondContact O-N 2.67Å; G342-K344 PolarHBondContact O-N 3.08Å
343	H	28.5	Very low	28.2	Very low	171 Å²	171	137 Å²	137	79%	0.792	76%	0.76	S	S	*	*			trans	-57	109.3	173.9	-94.1	-69.7	0	0	0	110.5	E341 N345	E341-H343 PolarHBondContact O-N 2.97Å; E341-H343 VanDerWaalsContact O-N 3.08Å; H343-N345 PolarHBondContact O-N 3.18Å
344	K	26.8	Very low	28.1	Very low	172 Å²	172	137.8 Å²	137.8	75%	0.748	76%	0.756	S	S	*	*			trans	-64.1	120.7	163.2	-76.2	176.4	175.9	174.4	0	108.5	G342 N346	G342-K344 PolarHBondContact O-N 3.08Å; K344-N346 PolarHBondContact O-N 3.46Å
345	N	26.9	Very low	27.9	Very low	161 Å²	161	140.3 Å²	140.3	86%	0.861	76%	0.759	S	S	*	*			trans	-63	102.2	166.5	-84.3	-15.6	0	0	0	109.9	H343	H343-N345 PolarHBondContact O-N 3.18Å
346	N	25.9	Very low	28.2	Very low	146 Å²	146	142.1 Å²	142.1	78%	0.781	76%	0.759	S	S	*	*			trans	-115.7	105.3	157.6	-94.4	-5.1	0	0	0	107.3	K344	K344-N346 PolarHBondContact O-N 3.46Å
347	N	31.1	Very low	28.1	Very low	162 Å²	162	142.7 Å²	142.7	87%	0.866	76%	0.761	S	S	*	*			trans	-160.8	86.7	147.6	-91.3	-18.2	0	0	0	107.6
348	N	26.3	Very low	28.3	Very low	163 Å²	163	142.7 Å²	142.7	87%	0.872	77%	0.766	S	S	*	*			trans	-116.6	98.3	163.2	-149.2	19.7	0	0	0	105.8
349	S	33.2	Very low	28.4	Very low	105 Å²	105	142.8 Å²	142.8	73%	0.734	77%	0.771	S	S	*	*			trans	-146.7	103.4	165.7	46	0	0	0	0	108.6
350	N	27	Very low	28.7	Very low	149 Å²	149	140.1 Å²	140.1	80%	0.797	78%	0.775	S	S	*	*			trans	-47.4	141.8	168.3	-76.4	-22.2	0	0	0	113.1
351	S	34.5	Very low	28.6	Very low	116 Å²	116	138.4 Å²	138.4	81%	0.811	78%	0.781	S	S	*	*				-163.1	129	127.8	59.3	0	0	0	0	111.2
352	N	27.2	Very low	28.7	Very low	139 Å²	139	138 Å²	138	74%	0.743	78%	0.784	S	S	*	*			trans	-68.2	152.7	-179.9	-55.2	-41.7	0	0	0	113.1
353	N	34.4	Very low	28.9	Very low	146 Å²	146	140.6 Å²	140.6	78%	0.781	80%	0.802	S	S	*	*				164.8	109.4	120.6	-82.8	-4.9	0	0	0	112.3
354	D	29.8	Very low	28.7	Very low	139 Å²	139	141 Å²	141	74%	0.743	81%	0.809	S	S	*	*				47.4	118.9	120	-62	-16.1	0	0	0	122.9
355	T	29.2	Very low	28.8	Very low	114 Å²	114	138.5 Å²	138.5	70%	0.699	81%	0.808	S	S	*	*				63.3	117.3	128.9	63.4	0	0	0	0	120.4
356	N	32.1	Very low	28.7	Very low	164 Å²	164	137.6 Å²	137.6	88%	0.877	80%	0.803	S	S	*	*				-172.3	129.3	104	-89	-27.7	0	0	0	112.7
357	E	24.6	Very low	28.7	Very low	187 Å²	187	138 Å²	138	87%	0.874	81%	0.806	S	S	*	*			trans	-74.6	150.8	169	-65.8	175.5	135.4	0	0	111.5
358	S	29.6	Very low	28.4	Very low	112 Å²	112	135.4 Å²	135.4	78%	0.783	80%	0.8	S	S	*	*				175.9	140.9	118.7	44.4	0	0	0	0	114.1
359	S	30.6	Very low	28.5	Very low	109 Å²	109	132.9 Å²	132.9	76%	0.762	80%	0.795	S	S	*	*			trans	79.4	95.7	154.6	71	0	0	0	0	119.7
360	S	29	Very low	28.2	Very low	122 Å²	122	135.3 Å²	135.3	85%	0.853	80%	0.795	S	S	*	*				158.2	123.9	83.2	49.9	0	0	0	0	109.9
361	S	24.7	Very low	28.1	Very low	109 Å²	109	135 Å²	135	76%	0.762	80%	0.798	S	S	*	*			trans	-89	121.2	176.1	48.2	0	0	0	0	109.8
362	D	27.2	Very low	27.8	Very low	170 Å²	170	137.6 Å²	137.6	91%	0.909	80%	0.795	S	S	*	*			trans	-153.4	144.2	154.9	-98.5	-32.8	0	0	0	110.6
363	A	28.5	Very low	27.5	Very low	97 Å²	97	135.5 Å²	135.5	80%	0.802	79%	0.791	S	S	*	*			trans	73.5	75.8	172.4	0	0	0	0	0	118.4
364	L	24.7	Very low	27	Very low	178 Å²	178	134.8 Å²	134.8	93%	0.932	79%	0.792	S	S	*	*			trans	-68.4	121.3	140.4	-91.3	115.4	0	0	0	108.9
365	V	28.8	Very low	26.6	Very low	121 Å²	121	135.9 Å²	135.9	73%	0.733	79%	0.793	S	S	*	*	S	Bend	trans	148.7	120.4	148.9	165.3	0	0	0	0	108.2
366	N	24.8	Very low	26.4	Very low	141 Å²	141	138.8 Å²	138.8	75%	0.754	80%	0.803	S	S	*	*			trans	69.2	98	169.4	-60.5	-16.9	0	0	0	117.7
367	N	26.2	Very low	25.9	Very low	155 Å²	155	139.1 Å²	139.1	83%	0.829	80%	0.797	S	S	*	*				-167.8	127.8	120.4	-90.4	-29.9	0	0	0	111.7	S369	N367-S369 PolarHBondContact O-N 3.45Å
368	S	24.6	Very low	26.1	Very low	107 Å²	107	137.5 Å²	137.5	75%	0.748	79%	0.787	S	S	*	*			trans	-13.6	104.5	157.5	40.4	0	0	0	0	116.7	H370	S368-H370 PolarHBondContact O-N 2.85Å
369	S	27.1	Very low	25.8	Very low	110 Å²	110	136 Å²	136	77%	0.769	78%	0.776	S	S	*	*			trans	-92.4	97.3	167.4	47.7	0	0	0	0	111.5	N367	N367-S369 PolarHBondContact O-N 3.45Å
370	H	28.4	Very low	25.7	Very low	157 Å²	157	136.1 Å²	136.1	73%	0.727	77%	0.769	S	S	*	*			trans	43.5	79.1	130.9	-61.3	-59	0	0	0	118.7	S368 K372	S368-H370 PolarHBondContact O-N 2.85Å; H370-K372 PolarHBondContact O-N 3.04Å
371	T	24.5	Very low	25.5	Very low	141 Å²	141	134.9 Å²	134.9	87%	0.865	76%	0.76	S	S	*	*			trans	-73	83.9	133.5	45.5	0	0	0	0	107.9	S373	T371-S373 VanDerWaalsContact C-N 3.25Å; T371-S373 PolarHBondContact O-N 2.92Å
372	K	27	Very low	25.7	Very low	171 Å²	171	137 Å²	137	74%	0.743	76%	0.762	S	S	*	*			trans	-66.3	96.6	159.9	-97.7	178.3	177.6	174.2	0	106.3	H370 T374	H370-K372 PolarHBondContact O-N 3.04Å; K372-T374 VanDerWaalsContact C-N 3.3Å; K372-T374 PolarHBondContact O-N 2.9Å
373	S	22.8	Very low	25.6	Very low	96 Å²	96	133.5 Å²	133.5	67%	0.671	75%	0.751	S	S	*	*			trans	-51.8	105.3	148.5	47.2	0	0	0	0	106.3	T371 Q375	T371-S373 VanDerWaalsContact C-N 3.25Å; T371-S373 PolarHBondContact O-N 2.92Å; S373-Q375 PolarHBondContact O-N 3.26Å
374	T	22.3	Very low	25.6	Very low	131 Å²	131	134.6 Å²	134.6	80%	0.804	75%	0.752	S	S	*	*			trans	-65.1	84.2	161	41.1	0	0	0	0	106.2	K372 L376	K372-T374 VanDerWaalsContact C-N 3.3Å; K372-T374 PolarHBondContact O-N 2.9Å; T374-L376 PolarHBondContact O-N 3.34Å; T374-L376 VanDerWaalsContact O-N 3.12Å
375	Q	22.3	Very low	25.7	Very low	162 Å²	162	130.7 Å²	130.7	76%	0.757	74%	0.74	S	S	*	*			trans	-56.6	110.9	153.7	-73.6	-161.4	-1.1	0	0	106.2	S373 K377	S373-Q375 PolarHBondContact O-N 3.26Å; Q375-K377 PolarHBondContact O-N 2.71Å
376	L	23.7	Very low	25.7	Very low	174 Å²	174	133.5 Å²	133.5	91%	0.911	75%	0.75	S	S	*	*			trans	-58.9	92.6	159.6	-85.3	151.7	0	0	0	106.5	T374 K378	T374-L376 PolarHBondContact O-N 3.34Å; T374-L376 VanDerWaalsContact O-N 3.12Å; L376-K378 PolarHBondContact O-N 2.9Å
377	K	22.6	Very low	26.1	Very low	171 Å²	171	129.7 Å²	129.7	74%	0.743	73%	0.734	S	S	*	*			trans	-58.4	119.8	159.3	-80.9	-177.1	173.4	-177	0	105.7	Q375 S379	Q375-K377 PolarHBondContact O-N 2.71Å; K377-S379 PolarHBondContact O-N 3.19Å
378	K	28.6	Very low	26.3	Very low	153 Å²	153	127.9 Å²	127.9	67%	0.665	72%	0.724	S	S	*	*			trans	-57.1	83	153.4	-83.2	-176.6	173.7	-171.4	0	106.2	L376 E430	L376-K378 PolarHBondContact O-N 2.9Å; K378-E430 IonicContact NZ-OE1 3.27Å; K378-E430 PolarHBondContact NZ-OE1 2.92Å; K378-E430 IonicContact NZ-OE2 2.91Å
379	S	24.4	Very low	27.3	Very low	80 Å²	80	128.1 Å²	128.1	56%	0.559	71%	0.712	S	S	*	*			trans	-117	105.6	170.6	51.7	0	0	0	0	107.3	K377 S381	K377-S379 PolarHBondContact O-N 3.19Å; S379-S381 PolarHBondContact O-N 2.76Å
380	N	27.9	Very low	28.3	Very low	113 Å²	113	128.1 Å²	128.1	60%	0.604	70%	0.703	S	S	*	*			trans	-56.8	102.5	162.8	-71.8	-19.6	0	0	0	108.1
381	S	24.7	Very low	29.3	Very low	95 Å²	95	122.7 Å²	122.7	66%	0.664	68%	0.681	S	S	*	*			trans	-136.7	92.8	154.4	62.9	0	0	0	0	106.3	S379 S383	S379-S381 PolarHBondContact O-N 2.76Å; S381-S383 PolarHBondContact O-N 2.86Å
382	L	28.3	Very low	30.4	Very low	155 Å²	155	119 Å²	119	81%	0.812	66%	0.658	S	S	*	*			trans	-66.4	98.4	169	-83.9	106.3	0	0	0	108.3
383	S	26.1	Very low	31.6	Very low	96 Å²	96	112.4 Å²	112.4	67%	0.671	64%	0.639	S	S	*	*			trans	-112.7	96.8	160.3	65.6	0	0	0	0	109.4	S381 S385	S381-S383 PolarHBondContact O-N 2.86Å; S383-S385 PolarHBondContact O-N 2.64Å
384	S	27.3	Very low	33.2	Very low	119 Å²	119	108.1 Å²	108.1	83%	0.832	61%	0.61	S	S	*	*	S	Bend	trans	28.9	84.3	146.8	66.2	0	0	0	0	118.9
385	S	28.3	Very low	35.7	Very low	97 Å²	97	103.2 Å²	103.2	68%	0.678	58%	0.579	S	S	*	*	S	Bend	trans	-172.9	143.1	130.6	51.2	0	0	0	0	107	S383 C387	S383-S385 PolarHBondContact O-N 2.64Å; S385-C387 PolarHBondContact O-N 2.81Å
386	L	28	Very low	38.6	Very low	179 Å²	179	95.5 Å²	95.5	94%	0.937	54%	0.543	S	S	*	.			trans	-32.1	115.5	-166.3	-86.2	78.1	0	0	0	114.3	D388	L386-D388 PolarHBondContact O-N 2.67Å
387	C	32.8	Very low	41.7	Very low	62 Å²	62	87.3 Å²	87.3	42%	0.419	50%	0.5	S	S	.	.			trans	-56.6	120.2	178.5	-66.1	0	0	0	0	112.6	S385 F389	S385-C387 PolarHBondContact O-N 2.81Å; C387-F389 HydrophobicContact CB-CD1 3.87Å; C387-F389 HydrophobicContact CB-CD2 3.57Å; C387-F389 HydrophobicContact CB-CE1 3.77Å; C387-F389 HydrophobicContact CB-CE2 3.48Å; C387-F389 VanDerWaalsContact CB-CE2 3.48Å; C387-F389 HydrophobicContact CB-CG 3.78Å; C387-F389 HydrophobicContact CB-CZ 3.57Å; C387-F389 WeakPolarHBondContact O-CD2 3.35Å; C387-F389 PolarHBondContact O-N 3.26Å
388	D	31.4	Very low	45	Very low	117 Å²	117	79.3 Å²	79.3	63%	0.626	47%	0.465	S	S	*	.			trans	-60.1	89.3	141.3	-72.5	-33.6	0	0	0	107.4	F340 L386 L390	F340-D388 WeakPolarHBondContact CE1-OD1 3.42Å; L386-D388 PolarHBondContact O-N 2.67Å; D388-L390 PolarHBondContact O-N 2.99Å
389	F	45.4	Very low	48.2	Very low	111 Å²	111	72.3 Å²	72.3	49%	0.487	44%	0.435	S	S	.	.			trans	-71	73.5	176.2	-73.9	-75.8	0	0	0	110.2	P330 C387 I468	P330-F389 HydrophobicContact CG-CB 4.07Å; P330-F389 HydrophobicContact CG-CD1 4.22Å; P330-F389 HydrophobicContact CG-CG 4.33Å; C387-F389 HydrophobicContact CB-CD1 3.87Å; C387-F389 HydrophobicContact CB-CD2 3.57Å; C387-F389 HydrophobicContact CB-CE1 3.77Å; C387-F389 HydrophobicContact CB-CE2 3.48Å; C387-F389 VanDerWaalsContact CB-CE2 3.48Å; C387-F389 HydrophobicContact CB-CG 3.78Å; C387-F389 HydrophobicContact CB-CZ 3.57Å; C387-F389 WeakPolarHBondContact O-CD2 3.35Å; C387-F389 PolarHBondContact O-N 3.26Å; F389-I468 HydrophobicContact CE1-CD1 3.61Å; F389-I468 HydrophobicContact CZ-CD1 3.6Å
390	L	46.7	Very low	51.7	Low	110 Å²	110	69.1 Å²	69.1	58%	0.576	41%	0.411	S	S	*	.			trans	-64.7	136.9	166.9	-76.9	151.2	0	0	0	108.7	D388 V392	D388-L390 PolarHBondContact O-N 2.99Å; L390-V392 PolarHBondContact O-N 3.37Å
391	P	50.9	Low	55	Low	43 Å²	43	63.7 Å²	63.7	28%	0.279	38%	0.382	S	S	.	.			trans	-55.5	137.6	174.1	24.3	-32.7	0	0	0	109.5	I329 G393	I329-P391 HydrophobicContact CG1-CB 4.04Å; P391-G393 PolarHBondContact O-N 2.98Å
392	V	47.5	Very low	58.5	Low	63 Å²	63	60.4 Å²	60.4	38%	0.382	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-75	102.2	174.1	180	0	0	0	0	107	F328 L390	F328-V392 HydrophobicContact CB-CB 4.39Å; F328-V392 PolarHBondContact N-O 2.97Å; F328-V392 PolarHBondContact O-N 3.12Å; F328-V392 VanDerWaalsContact O-N 3.13Å; L390-V392 PolarHBondContact O-N 3.37Å
393	G	51.2	Low	61.9	Low	34 Å²	34	53 Å²	53	35%	0.351	32%	0.318	S	S	.	.	S	Bend	trans	137	-162.9	-178.9	0	0	0	0	0	113	P391	P391-G393 PolarHBondContact O-N 2.98Å
394	G	57.7	Low	65.3	Low	5 Å²	5	48.8 Å²	48.8	5%	0.052	29%	0.289	C	S	.	.			trans	-67.4	-167.6	171.3	0	0	0	0	0	113.8	L235 L327	L235-G394 CarbonylContact O-C 3.45Å; L235-G394 VanDerWaalsContact O-CA 3.22Å; L235-G394 WeakPolarHBondContact O-CA 3.28Å; L327-G394 WeakPolarHBondContact CD2-O 3.42Å
395	I	73.4	Confident	68.7	Low	29 Å²	29	46.9 Å²	46.9	15%	0.149	27%	0.267	C	S	.	.	S	Bend	trans	-90.9	-11.8	177.9	56	161.5	0	0	0	113.3	L235 S237 P243 W300	L235-I395 PolarHBondContact O-N 2.77Å; S237-I395 WeakPolarHBondContact O-CG1 3.38Å; S237-I395 WeakPolarHBondContact O-CG2 3.24Å; P243-I395 HydrophobicContact CG-CD1 4.31Å; W300-I395 PolarHBondContact N-O 3.26Å
396	G	82.9	Confident	72	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	171.3	-177	0	0	0	0	0	114.1	L235 W300 H325	L235-G396 PolarHBondContact O-N 2.95Å; W300-G396 CarbonylContact O-C 3.44Å; W300-G396 WeakPolarHBondContact O-CA 3.43Å; H325-G396 PolarHBondContact CE1-O 3.35Å; H325-G396 PolarHBondContact ND1-O 3.04Å; H325-G396 VanDerWaalsContact ND1-O 3.14Å
397	Y	89.2	Confident	75.2	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	160.1	177.4	67.3	-76	0	0	0	111.2	I299 W300 E301 L302 L327 L399 C473 S474	I299-Y397 HydrophobicContact CG2-CD1 3.84Å; I299-Y397 HydrophobicContact CG2-CE1 3.77Å; W300-Y397 PolarHBondContact O-N 3.34Å; E301-Y397 HydrophobicContact CB-CE1 4.29Å; E301-Y397 VanDerWaalsContact CD-OH 3.23Å; E301-Y397 HydrophobicContact CG-CE1 3.68Å; E301-Y397 PolarHBondContact OE1-OH 2.7Å; L302-Y397 PolarHBondContact N-O 3.43Å; L327-Y397 HydrophobicContact CD1-CD1 4.01Å; Y397-L399 HydrophobicContact CD2-CB 4.37Å; Y397-L399 HydrophobicContact CE2-CB 3.84Å; Y397-L399 HydrophobicContact CE2-CD1 3.83Å; Y397-L399 HydrophobicContact CE2-CG 4.42Å; Y397-C473 HydrophobicContact CD1-CB 3.56Å; Y397-C473 HydrophobicContact CD2-CB 3.95Å; Y397-C473 HydrophobicContact CE1-CB 3.44Å; Y397-C473 VanDerWaalsContact CE1-CB 3.44Å; Y397-C473 HydrophobicContact CE2-CB 3.82Å; Y397-C473 HydrophobicContact CG-CB 3.81Å; Y397-S474 VanDerWaalsContact CD2-N 3.31Å
398	L	93.3	Very high	78.2	Confident	2 Å²	2	36 Å²	36	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	113.3	171.9	-176.6	68.1	0	0	0	108.8	L302 L304 L322 I323 E400 L401 S474 L475	L302-L398 HydrophobicContact CD2-CD1 4.24Å; L302-L398 HydrophobicContact CG-CD1 4.2Å; L304-L398 HydrophobicContact CB-CD1 3.7Å; L322-L398 HydrophobicContact CB-CD2 4.03Å; I323-L398 HydrophobicContact CG1-CD2 4.35Å; L398-E400 WeakPolarHBondContact CD1-O 3.47Å; L398-L401 HydrophobicContact CD2-CB 4.19Å; L398-L401 HydrophobicContact CD2-CD1 4.37Å; L398-L401 HydrophobicContact CD2-CD2 4.43Å; L398-S474 CarbonylContact O-C 3.5Å; L398-L475 HydrophobicContact CD2-CD1 4.03Å; L398-L475 HydrophobicContact CG-CD1 3.92Å; L398-L475 WeakPolarHBondContact O-CA 3.38Å; L398-L475 PolarHBondContact O-N 3.49Å
399	L	94.8	Very high	81.4	Confident	7 Å²	7	31 Å²	31	4%	0.037	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-42.4	178.6	176.1	67.3	0	0	0	111.5	E301 L302 Y397 E476 H477	E301-L399 HydrophobicContact CB-CD2 4.37Å; L302-L399 PolarHBondContact O-N 3.28Å; Y397-L399 HydrophobicContact CD2-CB 4.37Å; Y397-L399 HydrophobicContact CE2-CB 3.84Å; Y397-L399 HydrophobicContact CE2-CD1 3.83Å; Y397-L399 HydrophobicContact CE2-CG 4.42Å; L399-E476 HydrophobicContact CD1-CB 3.92Å; L399-E476 HydrophobicContact CD1-CG 4.03Å; L399-E476 WeakPolarHBondContact CD1-OE2 3.44Å; L399-E476 PolarHBondContact O-N 2.87Å; L399-H477 PolarHBondContact O-N 3.46Å
400	E	97.7	Very high	83.8	Confident	12 Å²	12	27.4 Å²	27.4	6%	0.056	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.7	-174.1	171.1	171	114.4	0	0	110.5	R211 L302 R303 L304 L398 H477 Y479	R211-E400 IonicContact CZ-OE1 2.99Å; R211-E400 IonicContact NE-OE1 3.04Å; R211-E400 PolarHBondContact NE-OE1 3.34Å; R211-E400 IonicContact NH2-OE1 3.62Å; R211-E400 PolarHBondContact NH2-OE1 3.14Å; R211-E400 IonicContact NH2-OE2 2.7Å; L302-E400 PolarHBondContact O-N 2.81Å; R303-E400 HydrophobicContact CB-CB 3.77Å; R303-E400 HydrophobicContact CB-CG 4.2Å; R303-E400 HydrophobicContact CG-CB 3.7Å; R303-E400 HydrophobicContact CG-CG 4.46Å; L304-E400 PolarHBondContact N-O 3.04Å; L398-E400 WeakPolarHBondContact CD1-O 3.47Å; E400-H477 WeakPolarHBondContact CA-O 3.38Å; E400-H477 HydrophobicContact CB-CB 3.92Å; E400-H477 HydrophobicContact CG-CB 3.94Å; E400-H477 IonicContact OE2-CG 2.75Å; E400-H477 IonicContact OE2-ND1 2.69Å; E400-H477 PolarHBondContact OE2-ND1 2.94Å; E400-H477 VanDerWaalsContact OE2-ND1 3.08Å; E400-Y479 HydrophobicContact CG-CD2 4.23Å; E400-Y479 HydrophobicContact CG-CE2 3.74Å
401	L	98.3	Very high	86.2	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	117.8	175.9	-177.4	60.7	0	0	0	109.7	L304 I319 I323 L398 L403 L416 L475 H477 L478 Y479	L304-L401 HydrophobicContact CB-CD1 4.39Å; L304-L401 HydrophobicContact CD2-CD1 4.07Å; L304-L401 HydrophobicContact CG-CD1 4.36Å; L304-L401 WeakPolarHBondContact O-CA 3.45Å; I319-L401 HydrophobicContact CG2-CD1 4.39Å; I319-L401 HydrophobicContact CG2-CD2 3.94Å; I323-L401 HydrophobicContact CD1-CD2 3.96Å; I323-L401 HydrophobicContact CG1-CD2 4.27Å; L398-L401 HydrophobicContact CD2-CB 4.19Å; L398-L401 HydrophobicContact CD2-CD1 4.37Å; L398-L401 HydrophobicContact CD2-CD2 4.43Å; L401-L403 HydrophobicContact CD1-CD2 3.91Å; L401-L403 HydrophobicContact CD1-CG 4.29Å; L401-L403 HydrophobicContact CD2-CD1 4.04Å; L401-L403 HydrophobicContact CD2-CD2 4.5Å; L401-L403 HydrophobicContact CD2-CG 4.23Å; L401-L403 HydrophobicContact CG-CD1 4.31Å; L401-L403 HydrophobicContact CG-CD2 4.14Å; L401-L403 HydrophobicContact CG-CG 3.95Å; L401-L416 HydrophobicContact CD2-CD1 4.39Å; L401-L475 HydrophobicContact CB-CD1 3.6Å; L401-L475 HydrophobicContact CB-CD2 4.38Å; L401-H477 PolarHBondContact N-O 3.07Å; L401-L478 HydrophobicContact CB-CD1 4.34Å; L401-L478 HydrophobicContact CD2-CD1 4.35Å; L401-L478 HydrophobicContact CG-CD1 4.46Å; L401-Y479 PolarHBondContact O-N 3.5Å
402	N	98.3	Very high	88.4	Confident	25 Å²	25	26.1 Å²	26.1	13%	0.134	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	110.5	176.5	-175.3	-14.9	0	0	0	110.6	L304 L306 M307 S404 Y479	L304-N402 PolarHBondContact O-N 2.76Å; L306-N402 PolarHBondContact N-O 3.26Å; M307-N402 WeakPolarHBondContact CG-OD1 3.01Å; M307-N402 PolarHBondContact SD-ND2 2.83Å; M307-N402 VanDerWaalsContact SD-ND2 3.41Å; N402-S404 WeakPolarHBondContact OD1-CB 3.42Å; N402-S404 PolarHBondContact OD1-N 3.44Å; N402-S404 PolarHBondContact OD1-OG 3.43Å; N402-Y479 HydrophobicContact CB-CD2 4.03Å; N402-Y479 HydrophobicContact CB-CG 4.36Å
403	L	98.1	Very high	90.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.133	C	C	.	.			trans	-110.7	21.8	178.6	-58	178.3	0	0	0	111.9	L306 L311 I319 L401 N406 I408 L416 Y479 L480 N483	L306-L403 HydrophobicContact CB-CD2 4.06Å; L306-L403 HydrophobicContact CD1-CD2 4.06Å; L311-L403 HydrophobicContact CD1-CD2 4.02Å; I319-L403 HydrophobicContact CD1-CD1 4.34Å; I319-L403 HydrophobicContact CD1-CD2 3.82Å; L401-L403 HydrophobicContact CD1-CD2 3.91Å; L401-L403 HydrophobicContact CD1-CG 4.29Å; L401-L403 HydrophobicContact CD2-CD1 4.04Å; L401-L403 HydrophobicContact CD2-CD2 4.5Å; L401-L403 HydrophobicContact CD2-CG 4.23Å; L401-L403 HydrophobicContact CG-CD1 4.31Å; L401-L403 HydrophobicContact CG-CD2 4.14Å; L401-L403 HydrophobicContact CG-CG 3.95Å; L403-N406 PolarHBondContact O-ND2 3.15Å; L403-I408 HydrophobicContact CB-CD1 3.72Å; L403-I408 HydrophobicContact CD1-CD1 3.67Å; L403-I408 HydrophobicContact CG-CD1 4.25Å; L403-L416 HydrophobicContact CD1-CD1 4.34Å; L403-L416 HydrophobicContact CD1-CD2 4.47Å; L403-Y479 PolarHBondContact N-O 2.88Å; L403-L480 HydrophobicContact CB-CD2 4.2Å; L403-L480 HydrophobicContact CD1-CD2 4.24Å; L403-N483 PolarHBondContact O-ND2 2.97Å; L403-N483 PolarHBondContact O-OD1 3.4Å
404	S	98.2	Very high	93	Very high	7 Å²	7	22.2 Å²	22.2	5%	0.049	12%	0.123	C	C	.	.			trans	-61.8	151.3	-174	-56	0	0	0	0	113.3	M307 N308 N402 N406 V481	M307-S404 VanDerWaalsContact CA-O 3.24Å; M307-S404 WeakPolarHBondContact CA-O 3.42Å; N308-S404 PolarHBondContact N-O 2.86Å; N402-S404 WeakPolarHBondContact OD1-CB 3.42Å; N402-S404 PolarHBondContact OD1-N 3.44Å; N402-S404 PolarHBondContact OD1-OG 3.43Å; S404-N406 PolarHBondContact O-ND2 2.83Å; S404-V481 CarbonylContact C-O 3.48Å; S404-V481 WeakPolarHBondContact CA-O 3.37Å; S404-V481 WeakPolarHBondContact OG-CB 3.35Å; S404-V481 PolarHBondContact OG-N 2.7Å
405	H	97.8	Very high	94.9	Very high	80 Å²	80	23.9 Å²	23.9	37%	0.37	13%	0.13	S	C	.	.	S	Bend	trans	59.2	49	178.7	-53.9	-69.2	0	0	0	112.7	N308 V481 D482	N308-H405 WeakPolarHBondContact CA-O 3.19Å; N308-H405 HydrophobicContact CB-CB 4.39Å; N308-H405 PolarHBondContact N-O 3.26Å; H405-V481 PolarHBondContact N-O 3.33Å; H405-D482 VanDerWaalsContact CA-O 3.24Å; H405-D482 WeakPolarHBondContact CA-O 3.35Å; H405-D482 IonicContact CE1-OD2 2.85Å; H405-D482 IonicContact CG-OD2 3.88Å; H405-D482 PolarHBondContact N-O 2.97Å; H405-D482 WeakPolarHBondContact ND1-CB 3.45Å; H405-D482 IonicContact ND1-OD2 3.66Å; H405-D482 PolarHBondContact ND1-OD2 2.95Å
406	N	97.3	Very high	96	Very high	14 Å²	14	22.6 Å²	22.6	8%	0.075	12%	0.124	C	C	.	.	S	Bend	trans	-124.9	-176.1	174	-73.7	-68.6	0	0	0	109.9	L306 N309 K310 L311 L403 S404 I408 D482 N483	L306-N406 PolarHBondContact O-ND2 3.2Å; N309-N406 PolarHBondContact N-OD1 3.33Å; K310-N406 PolarHBondContact N-OD1 3.1Å; L311-N406 HydrophobicContact CB-CB 3.94Å; L311-N406 HydrophobicContact CG-CB 4.48Å; L311-N406 WeakPolarHBondContact CG-OD1 3.41Å; L311-N406 PolarHBondContact N-OD1 2.86Å; L403-N406 PolarHBondContact O-ND2 3.15Å; S404-N406 PolarHBondContact O-ND2 2.83Å; N406-I408 HydrophobicContact CB-CG1 4.14Å; N406-D482 PolarHBondContact N-O 3Å; N406-N483 WeakPolarHBondContact CB-OD1 3.41Å; N406-N483 WeakPolarHBondContact O-CA 3.22Å
407	N	96.1	Very high	96.7	Very high	90 Å²	90	22.7 Å²	22.7	48%	0.481	13%	0.125	S	C	.	.			trans	-119.3	50.3	178.2	-170.3	41.7	0	0	0	110.4	L311 G409	L311-N407 CarbonylContact O-C 3.57Å; L311-N407 WeakPolarHBondContact O-CA 3.35Å; L311-N407 PolarHBondContact O-N 3.11Å; N407-G409 VanDerWaalsContact C-N 3.35Å
408	I	96.7	Very high	97	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	15%	0.146	C	C	.	.			trans	-64.1	-42.3	-176.6	-69.7	179.7	0	0	0	110.9	L311 V316 L403 N406 G412 L480 N483	L311-I408 HydrophobicContact CB-CG1 4.36Å; L311-I408 PolarHBondContact O-N 2.91Å; V316-I408 HydrophobicContact CG2-CD1 4.25Å; V316-I408 HydrophobicContact CG2-CG1 4.17Å; V316-I408 HydrophobicContact CG2-CG2 3.83Å; L403-I408 HydrophobicContact CB-CD1 3.72Å; L403-I408 HydrophobicContact CD1-CD1 3.67Å; L403-I408 HydrophobicContact CG-CD1 4.25Å; N406-I408 HydrophobicContact CB-CG1 4.14Å; I408-G412 VanDerWaalsContact CG2-C 3.42Å; I408-G412 PolarHBondContact O-N 3.16Å; I408-L480 HydrophobicContact CD1-CD2 4.39Å; I408-N483 HydrophobicContact CB-CB 4.46Å; I408-N483 WeakPolarHBondContact CB-OD1 3.35Å; I408-N483 VanDerWaalsContact CD1-OD1 3.28Å; I408-N483 WeakPolarHBondContact CD1-OD1 3.33Å; I408-N483 WeakPolarHBondContact CG1-OD1 3.32Å
409	G	96.8	Very high	97	Very high	12 Å²	12	26.1 Å²	26.1	12%	0.124	15%	0.146	C	C	.	.	H	α-helix	trans	64.3	179.9	-176.9	0	0	0	0	0	113.7	N407 D411 G412 L413 N483	N407-G409 VanDerWaalsContact C-N 3.35Å; G409-D411 PolarHBondContact O-N 2.97Å; G409-G412 PolarHBondContact O-N 3.12Å; G409-L413 PolarHBondContact O-N 3.33Å; G409-N483 PolarHBondContact N-O 3.4Å
410	D	97.4	Very high	97	Very high	36 Å²	36	25.9 Å²	25.9	19%	0.193	15%	0.145	C	C	.	.	H	α-helix	trans	-65.3	-37.8	-176.9	-72.2	-17.3	0	0	0	112.8	G412 L413 G414 L485 G486 D488 G489	D410-G412 PolarHBondContact O-N 2.75Å; D410-L413 PolarHBondContact O-N 3.18Å; D410-G414 PolarHBondContact O-N 3.41Å; D410-L485 WeakPolarHBondContact OD1-CA 3.36Å; D410-G486 PolarHBondContact OD1-N 3.13Å; D410-G486 VanDerWaalsContact OD2-CA 3.28Å; D410-G486 WeakPolarHBondContact OD2-CA 3.19Å; D410-G486 PolarHBondContact OD2-N 3.25Å; D410-D488 HydrophobicContact CB-CB 4.11Å; D410-G489 WeakPolarHBondContact OD1-CA 3.42Å; D410-G489 PolarHBondContact OD1-N 2.94Å; D410-G489 PolarHBondContact OD2-N 3.31Å
411	D	97	Very high	96.9	Very high	127 Å²	127	27.5 Å²	27.5	68%	0.679	15%	0.154	S	C	*	.	H	α-helix	trans	-59.4	-46.3	175.4	-66.2	-26.3	0	0	0	111.5	G409 G414 I415	G409-D411 PolarHBondContact O-N 2.97Å; D411-G414 PolarHBondContact O-N 3.02Å; D411-I415 WeakPolarHBondContact O-CG1 3.27Å; D411-I415 PolarHBondContact O-N 3.3Å
412	G	96.8	Very high	96.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68.5	-36.8	179.4	0	0	0	0	0	112.4	I408 G409 D410 G414 I415 L416	I408-G412 VanDerWaalsContact CG2-C 3.42Å; I408-G412 PolarHBondContact O-N 3.16Å; G409-G412 PolarHBondContact O-N 3.12Å; D410-G412 PolarHBondContact O-N 2.75Å; G412-G414 VanDerWaalsContact C-N 3.34Å; G412-I415 PolarHBondContact O-N 2.97Å; G412-L416 PolarHBondContact O-N 3.17Å
413	L	97.7	Very high	96.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.3	-38.8	171.6	179.9	56	0	0	0	111.4	G409 D410 I415 L416 C417 L480 L485 G489 M490	G409-L413 PolarHBondContact O-N 3.33Å; D410-L413 PolarHBondContact O-N 3.18Å; L413-I415 PolarHBondContact O-N 3.21Å; L413-L416 HydrophobicContact CD1-CB 4.5Å; L413-L416 HydrophobicContact CD1-CD2 4.12Å; L413-L416 WeakPolarHBondContact O-CB 3.41Å; L413-L416 PolarHBondContact O-N 3.08Å; L413-C417 WeakPolarHBondContact O-CB 3.28Å; L413-C417 PolarHBondContact O-N 3.08Å; L413-C417 PolarHBondContact O-SG 3.34Å; L413-L480 HydrophobicContact CD1-CD1 3.63Å; L413-L485 HydrophobicContact CB-CD2 3.87Å; L413-L485 HydrophobicContact CD2-CD1 3.91Å; L413-L485 HydrophobicContact CD2-CD2 3.87Å; L413-L485 HydrophobicContact CD2-CG 4.4Å; L413-L485 HydrophobicContact CG-CD2 4.47Å; L413-G489 WeakPolarHBondContact CD2-O 3.41Å; L413-M490 HydrophobicContact CD2-CE 3.64Å
414	G	97.5	Very high	96	Very high	15 Å²	15	30 Å²	30	16%	0.155	17%	0.165	C	C	.	.	H	α-helix	trans	-56.2	-49.4	172.4	0	0	0	0	0	111.6	D410 D411 G412 L416 C417 T418	D410-G414 PolarHBondContact O-N 3.41Å; D411-G414 PolarHBondContact O-N 3.02Å; G412-G414 VanDerWaalsContact C-N 3.34Å; G414-L416 PolarHBondContact O-N 3.32Å; G414-C417 WeakPolarHBondContact O-CB 3.29Å; G414-C417 PolarHBondContact O-N 2.85Å; G414-T418 VanDerWaalsContact O-CG2 3.31Å; G414-T418 WeakPolarHBondContact O-CG2 3.25Å; G414-T418 PolarHBondContact O-N 3Å
415	I	97.2	Very high	95.5	Very high	39 Å²	39	36.8 Å²	36.8	20%	0.2	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-46.6	175.6	-66.3	166.4	0	0	0	110.9	S313 V316 E317 L320 D411 G412 L413 C417 T418 G419	S313-I415 WeakPolarHBondContact O-CD1 3.49Å; V316-I415 HydrophobicContact CB-CG2 4.34Å; V316-I415 HydrophobicContact CG1-CB 4.41Å; V316-I415 HydrophobicContact CG1-CG2 4.08Å; E317-I415 HydrophobicContact CG-CD1 4.36Å; E317-I415 HydrophobicContact CG-CG2 3.92Å; L320-I415 HydrophobicContact CD1-CG2 3.87Å; L320-I415 HydrophobicContact CD2-CG2 4.27Å; L320-I415 HydrophobicContact CG-CG2 4.41Å; D411-I415 WeakPolarHBondContact O-CG1 3.27Å; D411-I415 PolarHBondContact O-N 3.3Å; G412-I415 PolarHBondContact O-N 2.97Å; L413-I415 PolarHBondContact O-N 3.21Å; I415-C417 VanDerWaalsContact C-N 3.31Å; I415-C417 PolarHBondContact O-N 3.01Å; I415-T418 PolarHBondContact O-N 2.81Å; I415-T418 VanDerWaalsContact O-N 3.17Å; I415-T418 PolarHBondContact O-OG1 3.28Å; I415-G419 PolarHBondContact O-N 2.86Å
416	L	97.2	Very high	95	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-57.4	-44.8	176.7	-167.4	75.5	0	0	0	111.6	V316 I323 L401 L403 G412 L413 G414 T418 G419 L420 L478 L480	V316-L416 HydrophobicContact CG1-CB 3.96Å; V316-L416 HydrophobicContact CG1-CD1 3.88Å; I323-L416 HydrophobicContact CD1-CD1 3.23Å; I323-L416 HydrophobicContact CD1-CG 4.26Å; L401-L416 HydrophobicContact CD2-CD1 4.39Å; L403-L416 HydrophobicContact CD1-CD1 4.34Å; L403-L416 HydrophobicContact CD1-CD2 4.47Å; G412-L416 PolarHBondContact O-N 3.17Å; L413-L416 HydrophobicContact CD1-CB 4.5Å; L413-L416 HydrophobicContact CD1-CD2 4.12Å; L413-L416 WeakPolarHBondContact O-CB 3.41Å; L413-L416 PolarHBondContact O-N 3.08Å; G414-L416 PolarHBondContact O-N 3.32Å; L416-T418 VanDerWaalsContact C-N 3.34Å; L416-T418 PolarHBondContact O-N 3.36Å; L416-G419 WeakPolarHBondContact O-CA 3.17Å; L416-G419 PolarHBondContact O-N 3.02Å; L416-G419 VanDerWaalsContact O-N 3.07Å; L416-L420 PolarHBondContact O-N 3.39Å; L416-L420 VanDerWaalsContact O-N 3.08Å; L416-L478 HydrophobicContact CD2-CD1 4.01Å; L416-L478 HydrophobicContact CD2-CD2 3.91Å; L416-L480 HydrophobicContact CD2-CD1 4.44Å; L416-L480 HydrophobicContact CD2-CD2 4.22Å
417	C	96.9	Very high	94.5	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.02	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-39.5	177.6	-70.2	0	0	0	0	111.8	L413 G414 I415 G419 L420 L421 V496	L413-C417 WeakPolarHBondContact O-CB 3.28Å; L413-C417 PolarHBondContact O-N 3.08Å; L413-C417 PolarHBondContact O-SG 3.34Å; G414-C417 WeakPolarHBondContact O-CB 3.29Å; G414-C417 PolarHBondContact O-N 2.85Å; I415-C417 VanDerWaalsContact C-N 3.31Å; I415-C417 PolarHBondContact O-N 3.01Å; C417-G419 VanDerWaalsContact C-N 3.26Å; C417-G419 PolarHBondContact O-N 3.29Å; C417-L420 PolarHBondContact O-N 3.31Å; C417-L421 WeakPolarHBondContact O-CG 3.25Å; C417-L421 PolarHBondContact O-N 3.46Å; C417-V496 HydrophobicContact CB-CG2 3.51Å
418	T	95.5	Very high	94	Very high	75 Å²	75	31.2 Å²	31.2	46%	0.46	16%	0.161	S	C	.	.	H	α-helix	trans	-60.9	-36.9	173.2	74.4	0	0	0	0	112.2	G414 I415 L416 Q422	G414-T418 VanDerWaalsContact O-CG2 3.31Å; G414-T418 WeakPolarHBondContact O-CG2 3.25Å; G414-T418 PolarHBondContact O-N 3Å; I415-T418 PolarHBondContact O-N 2.81Å; I415-T418 VanDerWaalsContact O-N 3.17Å; I415-T418 PolarHBondContact O-OG1 3.28Å; L416-T418 VanDerWaalsContact C-N 3.34Å; L416-T418 PolarHBondContact O-N 3.36Å; T418-Q422 VanDerWaalsContact O-CB 3.31Å; T418-Q422 WeakPolarHBondContact O-CB 3.1Å; T418-Q422 PolarHBondContact O-N 3.44Å
419	G	94.3	Very high	93.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-46	174.1	0	0	0	0	0	112.9	I415 L416 C417 Q422 S423	I415-G419 PolarHBondContact O-N 2.86Å; L416-G419 WeakPolarHBondContact O-CA 3.17Å; L416-G419 PolarHBondContact O-N 3.02Å; L416-G419 VanDerWaalsContact O-N 3.07Å; C417-G419 VanDerWaalsContact C-N 3.26Å; C417-G419 PolarHBondContact O-N 3.29Å; G419-Q422 PolarHBondContact O-N 3.25Å; G419-S423 WeakPolarHBondContact O-CB 3.46Å; G419-S423 PolarHBondContact O-N 3.49Å
420	L	95.4	Very high	92.4	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-64.2	-48	177.1	-70.6	170.3	0	0	0	111.8	I323 L416 C417 Q422 S423 Y424 L475 L478 V496 L511	I323-L420 HydrophobicContact CG2-CD2 3.58Å; I323-L420 HydrophobicContact CG2-CG 4.03Å; L416-L420 PolarHBondContact O-N 3.39Å; L416-L420 VanDerWaalsContact O-N 3.08Å; C417-L420 PolarHBondContact O-N 3.31Å; L420-Q422 VanDerWaalsContact C-N 3.28Å; L420-Q422 PolarHBondContact O-N 2.86Å; L420-S423 WeakPolarHBondContact O-CA 3.33Å; L420-S423 WeakPolarHBondContact O-CB 3.37Å; L420-S423 PolarHBondContact O-N 3.24Å; L420-Y424 VanDerWaalsContact O-CD1 3.28Å; L420-Y424 WeakPolarHBondContact O-CD1 3.2Å; L420-Y424 VanDerWaalsContact O-CG 3.32Å; L420-Y424 PolarHBondContact O-N 2.8Å; L420-L475 HydrophobicContact CD2-CD2 3.93Å; L420-L478 HydrophobicContact CD1-CD2 4.44Å; L420-V496 HydrophobicContact CB-CG1 3.95Å; L420-V496 HydrophobicContact CB-CG2 4.47Å; L420-V496 HydrophobicContact CD1-CG1 4.1Å; L420-L511 HydrophobicContact CD1-CD1 4.4Å
421	L	94.6	Very high	91.2	Very high	46 Å²	46	39.2 Å²	39.2	24%	0.241	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-41.6	175.9	-70.2	172	0	0	0	111.6	C417 S423 Y424 R425 I495 V496 Q499	C417-L421 WeakPolarHBondContact O-CG 3.25Å; C417-L421 PolarHBondContact O-N 3.46Å; L421-S423 VanDerWaalsContact C-N 3.33Å; L421-S423 PolarHBondContact O-N 2.55Å; L421-Y424 PolarHBondContact O-N 3.33Å; L421-R425 VanDerWaalsContact O-CG 3.28Å; L421-R425 WeakPolarHBondContact O-CG 3.43Å; L421-R425 PolarHBondContact O-N 2.81Å; L421-I495 HydrophobicContact CD1-CG2 4.15Å; L421-I495 HydrophobicContact CD2-CG2 4.48Å; L421-V496 HydrophobicContact CD1-CG2 4.44Å; L421-V496 HydrophobicContact CD2-CG2 4.25Å; L421-V496 HydrophobicContact CG-CG2 3.99Å; L421-Q499 HydrophobicContact CD2-CB 4.44Å; L421-Q499 HydrophobicContact CD2-CG 3.52Å
422	Q	92.5	Very high	90	Very high	67 Å²	67	37.1 Å²	37.1	31%	0.313	17%	0.172	S	C	.	.	H	α-helix	trans	-65.1	-39.2	175.9	-171.4	59.2	49.7	0	0	111.8	T418 G419 L420 Y424 R425 N426	T418-Q422 VanDerWaalsContact O-CB 3.31Å; T418-Q422 WeakPolarHBondContact O-CB 3.1Å; T418-Q422 PolarHBondContact O-N 3.44Å; G419-Q422 PolarHBondContact O-N 3.25Å; L420-Q422 VanDerWaalsContact C-N 3.28Å; L420-Q422 PolarHBondContact O-N 2.86Å; Q422-Y424 VanDerWaalsContact C-N 3.31Å; Q422-Y424 PolarHBondContact O-N 2.97Å; Q422-R425 PolarHBondContact O-N 3.4Å; Q422-N426 PolarHBondContact NE2-OD1 3.21Å; Q422-N426 WeakPolarHBondContact O-CB 3.47Å; Q422-N426 PolarHBondContact O-N 3.45Å; Q422-N426 PolarHBondContact O-ND2 2.83Å; Q422-N426 PolarHBondContact O-OD1 3.21Å
423	S	91.4	Very high	88.8	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.014	20%	0.2	C	C	.	.	H	α-helix	trans	-58.9	-44.2	173.9	-158.9	0	0	0	0	110.8	I323 G419 L420 L421 N426 R427	I323-S423 WeakPolarHBondContact O-CB 3.42Å; I323-S423 PolarHBondContact O-OG 3.31Å; G419-S423 WeakPolarHBondContact O-CB 3.46Å; G419-S423 PolarHBondContact O-N 3.49Å; L420-S423 WeakPolarHBondContact O-CA 3.33Å; L420-S423 WeakPolarHBondContact O-CB 3.37Å; L420-S423 PolarHBondContact O-N 3.24Å; L421-S423 VanDerWaalsContact C-N 3.33Å; L421-S423 PolarHBondContact O-N 2.55Å; S423-N426 PolarHBondContact O-N 2.95Å; S423-R427 PolarHBondContact O-N 3.37Å; S423-R427 VanDerWaalsContact O-N 3.07Å; S423-R427 PolarHBondContact OG-NH1 2.88Å
424	Y	91.8	Very high	87	Confident	9 Å²	9	44 Å²	44	4%	0.035	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-46.8	178.4	-64.8	-3.6	0	0	0	112.1	L420 L421 Q422 N426 R427 L428 V496 Q499 T500 V508	L420-Y424 VanDerWaalsContact O-CD1 3.28Å; L420-Y424 WeakPolarHBondContact O-CD1 3.2Å; L420-Y424 VanDerWaalsContact O-CG 3.32Å; L420-Y424 PolarHBondContact O-N 2.8Å; L421-Y424 PolarHBondContact O-N 3.33Å; Q422-Y424 VanDerWaalsContact C-N 3.31Å; Q422-Y424 PolarHBondContact O-N 2.97Å; Y424-N426 VanDerWaalsContact C-N 3.32Å; Y424-N426 PolarHBondContact O-N 3.45Å; Y424-R427 PolarHBondContact O-N 3.2Å; Y424-L428 PolarHBondContact O-N 2.91Å; Y424-V496 HydrophobicContact CE2-CG1 3.69Å; Y424-Q499 HydrophobicContact CD2-CB 3.88Å; Y424-Q499 HydrophobicContact CE2-CB 4.31Å; Y424-T500 HydrophobicContact CD2-CG2 4.46Å; Y424-T500 HydrophobicContact CE2-CG2 3.84Å; Y424-V508 HydrophobicContact CD1-CG1 3.51Å; Y424-V508 HydrophobicContact CD2-CG1 3.93Å; Y424-V508 HydrophobicContact CE1-CG1 4.24Å; Y424-V508 HydrophobicContact CG-CG1 3.32Å
425	R	88.4	Confident	85.1	Confident	148 Å²	148	44.3 Å²	44.3	56%	0.558	22%	0.216	S	C	*	.	H	α-helix	trans	-60.9	-40.6	176.3	-69.8	170.7	72.9	94.4	0.2	112	L421 Q422 L428 R429	L421-R425 VanDerWaalsContact O-CG 3.28Å; L421-R425 WeakPolarHBondContact O-CG 3.43Å; L421-R425 PolarHBondContact O-N 2.81Å; Q422-R425 PolarHBondContact O-N 3.4Å; R425-L428 PolarHBondContact O-N 3.41Å; R425-R429 WeakPolarHBondContact O-CB 3.21Å; R425-R429 PolarHBondContact O-N 2.82Å
426	N	86.1	Confident	83.2	Confident	24 Å²	24	48.3 Å²	48.3	13%	0.128	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-44.9	177.1	-71.2	-17	0	0	0	110.9	Q422 S423 Y424 R429 E430	Q422-N426 PolarHBondContact NE2-OD1 3.21Å; Q422-N426 WeakPolarHBondContact O-CB 3.47Å; Q422-N426 PolarHBondContact O-N 3.45Å; Q422-N426 PolarHBondContact O-ND2 2.83Å; Q422-N426 PolarHBondContact O-OD1 3.21Å; S423-N426 PolarHBondContact O-N 2.95Å; Y424-N426 VanDerWaalsContact C-N 3.32Å; Y424-N426 PolarHBondContact O-N 3.45Å; N426-R429 PolarHBondContact O-N 3.39Å; N426-R429 PolarHBondContact OD1-NH2 3.42Å; N426-R429 VanDerWaalsContact OD1-NH2 3.15Å; N426-E430 WeakPolarHBondContact O-CG 3.39Å; N426-E430 PolarHBondContact O-N 3.08Å
427	R	87.1	Confident	81.3	Confident	3 Å²	3	55 Å²	55	1%	0.011	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-44.7	178.1	-76.7	-167.1	-68.7	-98.5	22.3	112.9	H326 F328 S423 Y424 E430 R431 I472 S474 V508	H326-R427 HydrophobicContact CB-CG 4.37Å; H326-R427 WeakPolarHBondContact CD2-CG 2.95Å; F328-R427 HydrophobicContact CE2-CG 4.24Å; F328-R427 HydrophobicContact CZ-CB 3.8Å; F328-R427 HydrophobicContact CZ-CG 3.76Å; S423-R427 PolarHBondContact O-N 3.37Å; S423-R427 VanDerWaalsContact O-N 3.07Å; S423-R427 PolarHBondContact OG-NH1 2.88Å; Y424-R427 PolarHBondContact O-N 3.2Å; R427-E430 PolarHBondContact O-N 2.89Å; R427-R431 WeakPolarHBondContact O-CB 3.47Å; R427-R431 WeakPolarHBondContact O-CG 3.22Å; R427-R431 PolarHBondContact O-N 2.86Å; R427-I472 VanDerWaalsContact CD-CG2 3.48Å; R427-S474 VanDerWaalsContact NH1-CB 3.27Å; R427-S474 PolarHBondContact NH2-OG 3.23Å; R427-V508 PolarHBondContact NE-O 3.46Å; R427-V508 PolarHBondContact NH2-O 3.32Å
428	L	85.3	Confident	79.3	Confident	40 Å²	40	60.8 Å²	60.8	21%	0.209	30%	0.3	C	S	.	.	H	α-helix	trans	-59	-49.1	173.7	-72.7	173.7	0	0	0	111.1	Y424 R425 E430 R431 F432 L504 L507 V508	Y424-L428 PolarHBondContact O-N 2.91Å; R425-L428 PolarHBondContact O-N 3.41Å; L428-E430 VanDerWaalsContact C-N 3.34Å; L428-E430 PolarHBondContact O-N 3.34Å; L428-R431 PolarHBondContact O-N 2.91Å; L428-F432 HydrophobicContact CB-CD2 4.18Å; L428-F432 HydrophobicContact CB-CE2 4.15Å; L428-F432 HydrophobicContact CD2-CE2 3.98Å; L428-F432 WeakPolarHBondContact O-CD2 3.23Å; L428-F432 PolarHBondContact O-N 2.87Å; L428-L504 HydrophobicContact CD2-CD2 4.25Å; L428-L507 HydrophobicContact CD2-CB 4.06Å; L428-L507 HydrophobicContact CD2-CD1 4.49Å; L428-V508 HydrophobicContact CD1-CG2 4.01Å; L428-V508 HydrophobicContact CD2-CG2 3.38Å; L428-V508 HydrophobicContact CG-CG2 3.55Å
429	R	82.7	Confident	77.5	Confident	156 Å²	156	58.9 Å²	58.9	59%	0.589	29%	0.286	S	S	*	.	H	α-helix	trans	-59.5	-44.3	-180	-176.3	179.4	63.2	-158.4	-6.3	111.9	R425 N426 S433	R425-R429 WeakPolarHBondContact O-CB 3.21Å; R425-R429 PolarHBondContact O-N 2.82Å; N426-R429 PolarHBondContact O-N 3.39Å; N426-R429 PolarHBondContact OD1-NH2 3.42Å; N426-R429 VanDerWaalsContact OD1-NH2 3.15Å; R429-S433 WeakPolarHBondContact O-CB 3.18Å; R429-S433 PolarHBondContact O-N 2.97Å; R429-S433 PolarHBondContact O-OG 2.81Å
430	E	77.9	Confident	75.8	Confident	43 Å²	43	60.9 Å²	60.9	20%	0.201	30%	0.298	C	S	.	.	H	α-helix	trans	-64.4	-43.5	178	-71.2	-161.1	170.2	0	0	111.4	H326 F328 K378 N426 R427 L428 S433 T434	H326-E430 IonicContact NE2-OE2 3.81Å; F328-E430 HydrophobicContact CE2-CB 3.96Å; K378-E430 IonicContact NZ-OE1 3.27Å; K378-E430 PolarHBondContact NZ-OE1 2.92Å; K378-E430 IonicContact NZ-OE2 2.91Å; N426-E430 WeakPolarHBondContact O-CG 3.39Å; N426-E430 PolarHBondContact O-N 3.08Å; R427-E430 PolarHBondContact O-N 2.89Å; L428-E430 VanDerWaalsContact C-N 3.34Å; L428-E430 PolarHBondContact O-N 3.34Å; E430-S433 WeakPolarHBondContact CA-OG 3.38Å; E430-S433 PolarHBondContact O-N 3.07Å; E430-S433 PolarHBondContact O-OG 3.46Å; E430-T434 WeakPolarHBondContact O-CG2 3.41Å; E430-T434 PolarHBondContact O-N 3.17Å; E430-T434 PolarHBondContact O-OG1 3.35Å
431	R	71.9	Confident	74	Confident	22 Å²	22	66.6 Å²	66.6	8%	0.083	33%	0.328	C	S	.	.	H	α-helix	trans	-61.8	-50.2	175.4	-72.6	-65.9	-141.2	166.3	4.7	112.4	F328 R427 L428 S433 T434 L435 M470 L507	F328-R431 HydrophobicContact CE1-CG 3.66Å; F328-R431 HydrophobicContact CZ-CG 3.77Å; R427-R431 WeakPolarHBondContact O-CB 3.47Å; R427-R431 WeakPolarHBondContact O-CG 3.22Å; R427-R431 PolarHBondContact O-N 2.86Å; L428-R431 PolarHBondContact O-N 2.91Å; R431-S433 PolarHBondContact O-N 3.21Å; R431-T434 WeakPolarHBondContact CA-OG1 3.35Å; R431-T434 PolarHBondContact O-N 2.76Å; R431-T434 PolarHBondContact O-OG1 3.02Å; R431-L435 HydrophobicContact CB-CD1 4.33Å; R431-L435 VanDerWaalsContact O-CD1 3.25Å; R431-L435 WeakPolarHBondContact O-CD1 3.35Å; R431-L435 WeakPolarHBondContact O-CG 3.32Å; R431-L435 PolarHBondContact O-N 3.48Å; R431-L435 VanDerWaalsContact O-N 3.17Å; R431-M470 PolarHBondContact NH2-O 2.78Å; R431-L507 HydrophobicContact CB-CD2 4.26Å; R431-L507 HydrophobicContact CG-CD2 4.15Å
432	F	72.7	Confident	72.2	Confident	82 Å²	82	71.6 Å²	71.6	36%	0.36	35%	0.347	S	S	.	.	H	α-helix	trans	-64.2	-28.7	178.5	-73.2	-62.2	0	0	0	112.7	L428 T434 L435 V440	L428-F432 HydrophobicContact CB-CD2 4.18Å; L428-F432 HydrophobicContact CB-CE2 4.15Å; L428-F432 HydrophobicContact CD2-CE2 3.98Å; L428-F432 WeakPolarHBondContact O-CD2 3.23Å; L428-F432 PolarHBondContact O-N 2.87Å; F432-T434 PolarHBondContact O-N 3.27Å; F432-L435 HydrophobicContact CD1-CD1 4.35Å; F432-V440 HydrophobicContact CD1-CG1 4.19Å; F432-V440 HydrophobicContact CD1-CG2 4.05Å; F432-V440 HydrophobicContact CE1-CG1 4.1Å
433	S	70	Confident	70.2	Confident	85 Å²	85	70.9 Å²	70.9	59%	0.594	35%	0.345	S	S	*	.	H	α-helix	trans	-73.2	-15.1	172.8	70.4	0	0	0	0	114.2	R429 E430 R431	R429-S433 WeakPolarHBondContact O-CB 3.18Å; R429-S433 PolarHBondContact O-N 2.97Å; R429-S433 PolarHBondContact O-OG 2.81Å; E430-S433 WeakPolarHBondContact CA-OG 3.38Å; E430-S433 PolarHBondContact O-N 3.07Å; E430-S433 PolarHBondContact O-OG 3.46Å; R431-S433 PolarHBondContact O-N 3.21Å
434	T	61.3	Low	68.2	Low	60 Å²	60	74.1 Å²	74.1	37%	0.368	37%	0.366	S	S	.	.	H	α-helix	trans	-101.7	-10.4	178.7	57	0	0	0	0	113.9	E430 R431 F432	E430-T434 WeakPolarHBondContact O-CG2 3.41Å; E430-T434 PolarHBondContact O-N 3.17Å; E430-T434 PolarHBondContact O-OG1 3.35Å; R431-T434 WeakPolarHBondContact CA-OG1 3.35Å; R431-T434 PolarHBondContact O-N 2.76Å; R431-T434 PolarHBondContact O-OG1 3.02Å; F432-T434 PolarHBondContact O-N 3.27Å
435	L	56.8	Low	65.9	Low	22 Å²	22	76.2 Å²	76.2	12%	0.115	38%	0.384	C	S	.	.	S	Bend	trans	-101.4	133	-175	-68.3	158.4	0	0	0	109.5	R431 F432 E439 V440 L443 P467	R431-L435 HydrophobicContact CB-CD1 4.33Å; R431-L435 VanDerWaalsContact O-CD1 3.25Å; R431-L435 WeakPolarHBondContact O-CD1 3.35Å; R431-L435 WeakPolarHBondContact O-CG 3.32Å; R431-L435 PolarHBondContact O-N 3.48Å; R431-L435 VanDerWaalsContact O-N 3.17Å; F432-L435 HydrophobicContact CD1-CD1 4.35Å; L435-E439 WeakPolarHBondContact CA-OE2 3.24Å; L435-E439 HydrophobicContact CB-CB 4.2Å; L435-E439 HydrophobicContact CD2-CB 3.9Å; L435-E439 WeakPolarHBondContact CD2-OE2 3.21Å; L435-V440 HydrophobicContact CB-CG2 3.98Å; L435-L443 HydrophobicContact CD1-CD1 3.44Å; L435-L443 VanDerWaalsContact CD1-CD1 3.44Å; L435-L443 HydrophobicContact CD2-CD1 4.19Å; L435-L443 HydrophobicContact CG-CD1 4.45Å; L435-P467 HydrophobicContact CD2-CB 4.41Å
436	D	58	Low	63.6	Low	122 Å²	122	76.2 Å²	76.2	65%	0.652	39%	0.393	S	S	*	.			trans	-73.1	158.6	173.8	-75.4	-23.6	0	0	0	111	Q438 E439 V440	D436-Q438 PolarHBondContact O-N 3.12Å; D436-E439 PolarHBondContact N-OE2 3.05Å; D436-E439 WeakPolarHBondContact O-CB 3.35Å; D436-E439 PolarHBondContact O-N 2.99Å; D436-V440 PolarHBondContact O-N 3.08Å; D436-V440 VanDerWaalsContact O-N 3.15Å
437	D	57.8	Low	61.5	Low	144 Å²	144	78.7 Å²	78.7	77%	0.77	41%	0.412	S	S	*	.	H	α-helix	trans	-51.8	-32.9	-174.2	-69.8	-28.6	0	0	0	113.9	L441	D437-L441 PolarHBondContact O-N 2.87Å
438	Q	54.6	Low	58.8	Low	123 Å²	123	82.2 Å²	82.2	58%	0.575	44%	0.437	S	S	*	.	H	α-helix	trans	-72.2	-30.4	176.5	-72.3	-168.5	-11.4	0	0	113.7	D436 K442	D436-Q438 PolarHBondContact O-N 3.12Å; Q438-K442 PolarHBondContact O-N 3.01Å
439	E	57	Low	56.1	Low	36 Å²	36	85.8 Å²	85.8	17%	0.168	46%	0.462	C	S	.	.	H	α-helix	trans	-79	-36.5	178.5	-61.1	-174.7	142	0	0	111.2	L435 D436 L441 K442 L443 P467	L435-E439 WeakPolarHBondContact CA-OE2 3.24Å; L435-E439 HydrophobicContact CB-CB 4.2Å; L435-E439 HydrophobicContact CD2-CB 3.9Å; L435-E439 WeakPolarHBondContact CD2-OE2 3.21Å; D436-E439 PolarHBondContact N-OE2 3.05Å; D436-E439 WeakPolarHBondContact O-CB 3.35Å; D436-E439 PolarHBondContact O-N 2.99Å; E439-L441 VanDerWaalsContact C-N 3.26Å; E439-L441 PolarHBondContact O-N 2.95Å; E439-K442 PolarHBondContact O-N 3.1Å; E439-L443 WeakPolarHBondContact O-CG 3.43Å; E439-L443 PolarHBondContact O-N 2.85Å; E439-P467 WeakPolarHBondContact OE1-CD 3.41Å; E439-P467 WeakPolarHBondContact OE1-CG 3.31Å
440	V	58.3	Low	53.6	Low	41 Å²	41	84.5 Å²	84.5	25%	0.248	47%	0.474	C	S	.	.	H	α-helix	trans	-58.1	-42.8	169.8	-179.6	0	0	0	0	110.1	F432 L435 D436 K442 L443 T444	F432-V440 HydrophobicContact CD1-CG1 4.19Å; F432-V440 HydrophobicContact CD1-CG2 4.05Å; F432-V440 HydrophobicContact CE1-CG1 4.1Å; L435-V440 HydrophobicContact CB-CG2 3.98Å; D436-V440 PolarHBondContact O-N 3.08Å; D436-V440 VanDerWaalsContact O-N 3.15Å; V440-K442 PolarHBondContact O-N 3.19Å; V440-L443 PolarHBondContact O-N 3.16Å; V440-T444 PolarHBondContact O-N 2.85Å; V440-T444 PolarHBondContact O-OG1 2.93Å; V440-T444 VanDerWaalsContact O-OG1 3.11Å
441	L	57.8	Low	51.2	Low	124 Å²	124	87.7 Å²	87.7	65%	0.649	50%	0.501	S	S	*	.	H	α-helix	trans	-64.8	-35	177.2	-129	105.5	0	0	0	113.4	D437 E439 T444 A445	D437-L441 PolarHBondContact O-N 2.87Å; E439-L441 VanDerWaalsContact C-N 3.26Å; E439-L441 PolarHBondContact O-N 2.95Å; L441-T444 WeakPolarHBondContact CA-OG1 3.28Å; L441-T444 PolarHBondContact O-OG1 3.45Å; L441-T444 VanDerWaalsContact O-OG1 3.11Å; L441-A445 WeakPolarHBondContact O-CB 3.26Å; L441-A445 PolarHBondContact O-N 2.86Å
442	K	56.2	Low	49.2	Very low	150 Å²	150	93.3 Å²	93.3	65%	0.652	54%	0.538	S	S	*	.	H	α-helix	trans	-71.3	-36.9	175.1	-79.2	178.7	-178.6	173.1	0	112.2	Q438 E439 V440 A445 M446	Q438-K442 PolarHBondContact O-N 3.01Å; E439-K442 PolarHBondContact O-N 3.1Å; V440-K442 PolarHBondContact O-N 3.19Å; K442-A445 PolarHBondContact O-N 3.35Å; K442-M446 WeakPolarHBondContact O-CG 3.41Å; K442-M446 PolarHBondContact O-N 3.49Å
443	L	51.9	Low	47.2	Very low	52 Å²	52	98.1 Å²	98.1	27%	0.272	56%	0.562	S	S	.	*	H	α-helix	trans	-70.3	-33.5	177.7	-72.4	166.7	0	0	0	112.3	L435 E439 V440 M446 L507	L435-L443 HydrophobicContact CD1-CD1 3.44Å; L435-L443 VanDerWaalsContact CD1-CD1 3.44Å; L435-L443 HydrophobicContact CD2-CD1 4.19Å; L435-L443 HydrophobicContact CG-CD1 4.45Å; E439-L443 WeakPolarHBondContact O-CG 3.43Å; E439-L443 PolarHBondContact O-N 2.85Å; V440-L443 PolarHBondContact O-N 3.16Å; L443-M446 HydrophobicContact CD2-SD 4.46Å; L443-L507 HydrophobicContact CD1-CD1 4.36Å; L443-L507 HydrophobicContact CD1-CD2 4.4Å; L443-L507 HydrophobicContact CD2-CD1 4.37Å
444	T	48.9	Very low	45.3	Very low	71 Å²	71	103.7 Å²	103.7	44%	0.436	58%	0.575	S	S	.	*	H	α-helix	trans	-78.4	-30.2	172.5	53.4	0	0	0	0	112.7	V440 L441 M446 S447	V440-T444 PolarHBondContact O-N 2.85Å; V440-T444 PolarHBondContact O-OG1 2.93Å; V440-T444 VanDerWaalsContact O-OG1 3.11Å; L441-T444 WeakPolarHBondContact CA-OG1 3.28Å; L441-T444 PolarHBondContact O-OG1 3.45Å; L441-T444 VanDerWaalsContact O-OG1 3.11Å; T444-M446 VanDerWaalsContact C-N 3.3Å; T444-M446 PolarHBondContact O-N 2.94Å; T444-S447 PolarHBondContact O-OG 3.06Å
445	A	43.3	Very low	43.6	Very low	52 Å²	52	110.6 Å²	110.6	43%	0.43	60%	0.6	S	S	.	*	H	α-helix	trans	-76.8	-7.6	178	0	0	0	0	0	115	L441 K442 S447 S448	L441-A445 WeakPolarHBondContact O-CB 3.26Å; L441-A445 PolarHBondContact O-N 2.86Å; K442-A445 PolarHBondContact O-N 3.35Å; A445-S447 PolarHBondContact O-N 3.27Å; A445-S448 PolarHBondContact O-N 3.44Å; A445-S448 PolarHBondContact O-OG 3.41Å
446	M	40.8	Very low	42.5	Very low	149 Å²	149	114.6 Å²	114.6	73%	0.734	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	1.3	172.7	-74.4	172.1	75	0	0	113.4	K442 L443 T444	K442-M446 WeakPolarHBondContact O-CG 3.41Å; K442-M446 PolarHBondContact O-N 3.49Å; L443-M446 HydrophobicContact CD2-SD 4.46Å; T444-M446 VanDerWaalsContact C-N 3.3Å; T444-M446 PolarHBondContact O-N 2.94Å
447	S	41.4	Very low	41.2	Very low	76 Å²	76	116.6 Å²	116.6	53%	0.531	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.6	-3.7	174.4	70.7	0	0	0	0	114.8	T444 A445 E754	T444-S447 PolarHBondContact O-OG 3.06Å; A445-S447 PolarHBondContact O-N 3.27Å; S447-E754 WeakPolarHBondContact CB-OE2 3.41Å; S447-E754 PolarHBondContact OG-OE2 2.9Å
448	S	29.4	Very low	40.2	Very low	76 Å²	76	114.9 Å²	114.9	53%	0.531	64%	0.64	S	S	.	*	S	Bend	trans	-123.4	142.3	178.1	39	0	0	0	0	113.4	A445	A445-S448 PolarHBondContact O-N 3.44Å; A445-S448 PolarHBondContact O-OG 3.41Å
449	P	30.5	Very low	39.2	Very low	115 Å²	115	117.3 Å²	117.3	75%	0.747	66%	0.657	S	S	*	*			trans	-70.3	148.8	179.9	29.6	-32.3	0	0	0	110.4	S451	P449-S451 PolarHBondContact O-N 3.13Å
450	P	29.2	Very low	38.2	Very low	129 Å²	129	120.1 Å²	120.1	84%	0.838	68%	0.68	S	S	*	*			trans	-74.2	104.4	-172.6	29.9	-31.7	0	0	0	110.1
451	S	27.8	Very low	36.9	Very low	110 Å²	110	126 Å²	126	77%	0.769	71%	0.71	S	S	*	*			trans	-75.3	124.8	166.8	51.7	0	0	0	0	109.9	P449 E453	P449-S451 PolarHBondContact O-N 3.13Å; S451-E453 PolarHBondContact O-N 3.25Å
452	T	29.3	Very low	35.8	Very low	140 Å²	140	124.1 Å²	124.1	86%	0.859	71%	0.706	S	S	*	*			trans	-63.1	106.2	176.3	46.1	0	0	0	0	111.8
453	E	30.3	Very low	34.6	Very low	183 Å²	183	122.8 Å²	122.8	86%	0.855	71%	0.714	S	S	*	*			trans	-135.2	116.9	160.8	-75.3	-160.6	149.7	0	0	113.7	S451	S451-E453 PolarHBondContact O-N 3.25Å
454	K	30.3	Very low	33.7	Very low	202 Å²	202	123.8 Å²	123.8	88%	0.878	72%	0.724	S	S	*	*			trans	16.2	125.2	153.1	-69.4	172.3	179.7	170.5	0	120	S456	K454-S456 PolarHBondContact O-N 2.82Å
455	K	26.5	Very low	33.2	Very low	206 Å²	206	125.4 Å²	125.4	90%	0.896	74%	0.735	S	S	*	*			trans	-51.2	124.6	158	-69.8	177.4	174.8	-179.5	0	111.4
456	S	34	Very low	33.2	Very low	106 Å²	106	128.1 Å²	128.1	74%	0.741	75%	0.747	S	S	*	*			trans	-128.5	120	153.5	58.6	0	0	0	0	108.4	K454 S458	K454-S456 PolarHBondContact O-N 2.82Å; S456-S458 PolarHBondContact O-N 2.8Å
457	D	29.4	Very low	33.7	Very low	164 Å²	164	124.4 Å²	124.4	88%	0.877	74%	0.735	S	S	*	*			trans	-66.7	119.5	179.5	-62.1	-52.1	0	0	0	111.2
458	S	38.3	Very low	34.3	Very low	107 Å²	107	124.4 Å²	124.4	75%	0.748	73%	0.728	S	S	*	*			trans	-145.8	114.1	156.5	52.4	0	0	0	0	110.4	S456 S460	S456-S458 PolarHBondContact O-N 2.8Å; S458-S460 PolarHBondContact O-N 3.32Å; S458-S460 VanDerWaalsContact O-N 3.11Å
459	N	32.3	Very low	35.8	Very low	175 Å²	175	124.8 Å²	124.8	94%	0.936	73%	0.728	S	S	*	*			trans	-63.5	101.6	174.9	-99.8	-23.4	0	0	0	110.7
460	S	36.3	Very low	37.6	Very low	94 Å²	94	121.2 Å²	121.2	66%	0.657	70%	0.702	S	S	*	*			trans	-157.6	103.3	146.9	56.1	0	0	0	0	107.1	S458 P462	S458-S460 PolarHBondContact O-N 3.32Å; S458-S460 VanDerWaalsContact O-N 3.11Å; S460-P462 WeakPolarHBondContact O-CD 3.4Å
461	N	31.3	Very low	40	Very low	164 Å²	164	119.3 Å²	119.3	88%	0.877	68%	0.681	S	S	*	*			trans	-79.6	102.7	167.8	-83	-18.6	0	0	0	108.2
462	P	35.4	Very low	42.6	Very low	85 Å²	85	114.8 Å²	114.8	55%	0.552	65%	0.648	S	S	*	*			trans	-72.6	122.9	144.7	32.7	-27.7	0	0	0	105.5	S460 C464	S460-P462 WeakPolarHBondContact O-CD 3.4Å; P462-C464 PolarHBondContact O-N 2.74Å
463	C	29.2	Very low	45.2	Very low	122 Å²	122	108.2 Å²	108.2	82%	0.824	61%	0.607	S	S	*	*			trans	-66.2	79.6	172.9	-160.8	0	0	0	0	108.1	T465	C463-T465 VanDerWaalsContact C-N 3.35Å; C463-T465 PolarHBondContact O-N 2.81Å; C463-T465 VanDerWaalsContact O-N 3.12Å
464	C	34.8	Very low	48	Very low	73 Å²	73	99.5 Å²	99.5	49%	0.493	57%	0.567	S	S	.	*			trans	-76.1	92.5	168.2	-74.5	0	0	0	0	106.9	P462	P462-C464 PolarHBondContact O-N 2.74Å
465	T	38.6	Very low	51	Low	106 Å²	106	90.1 Å²	90.1	65%	0.65	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-53.7	127.2	161	46.8	0	0	0	0	107.8	C463	C463-T465 VanDerWaalsContact C-N 3.35Å; C463-T465 PolarHBondContact O-N 2.81Å; C463-T465 VanDerWaalsContact O-N 3.12Å
466	P	42.4	Very low	54.3	Low	108 Å²	108	82.2 Å²	82.2	70%	0.701	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-57	138.9	176.4	23.2	-31.6	0	0	0	109.1	I468	P466-I468 PolarHBondContact O-N 2.95Å; P466-I468 VanDerWaalsContact O-N 3.16Å
467	P	50.7	Low	57.4	Low	72 Å²	72	78.6 Å²	78.6	47%	0.468	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-60.5	124.9	-176.4	21.3	-27.8	0	0	0	108.3	L435 E439 P469	L435-P467 HydrophobicContact CD2-CB 4.41Å; E439-P467 WeakPolarHBondContact OE1-CD 3.41Å; E439-P467 WeakPolarHBondContact OE1-CG 3.31Å; P467-P469 WeakPolarHBondContact O-CD 3.39Å; P467-P469 VanDerWaalsContact O-N 3.11Å
468	I	53.9	Low	60.6	Low	75 Å²	75	70.8 Å²	70.8	39%	0.385	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-56.1	122	-177.3	-59	168.8	0	0	0	107.3	P330 F389 P466 M470	P330-I468 HydrophobicContact CB-CB 4.49Å; P330-I468 HydrophobicContact CB-CG2 3.51Å; F389-I468 HydrophobicContact CE1-CD1 3.61Å; F389-I468 HydrophobicContact CZ-CD1 3.6Å; P466-I468 PolarHBondContact O-N 2.95Å; P466-I468 VanDerWaalsContact O-N 3.16Å; I468-M470 WeakPolarHBondContact O-CG 3.46Å; I468-M470 PolarHBondContact O-N 3.04Å
469	P	62	Low	63.5	Low	84 Å²	84	67.9 Å²	67.9	55%	0.545	40%	0.395	S	S	.	.			trans	-62.7	101.8	-175.6	20.6	-29.6	0	0	0	109	N331 P467	N331-P469 WeakPolarHBondContact CA-O 3.26Å; N331-P469 HydrophobicContact CB-CB 4.49Å; N331-P469 HydrophobicContact CB-CG 4.22Å; N331-P469 WeakPolarHBondContact CB-O 3.34Å; N331-P469 PolarHBondContact N-O 2.84Å; N331-P469 PolarHBondContact ND2-O 3.44Å; P467-P469 WeakPolarHBondContact O-CD 3.39Å; P467-P469 VanDerWaalsContact O-N 3.11Å
470	M	68.1	Low	66.7	Low	40 Å²	40	59.6 Å²	59.6	20%	0.197	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.7	178.2	-51	-165.1	-99.1	0	0	110.8	F328 I329 R431 I468	F328-M470 HydrophobicContact CB-CB 4.37Å; F328-M470 HydrophobicContact CB-CE 4.39Å; F328-M470 HydrophobicContact CB-SD 3.77Å; I329-M470 CarbonylContact O-C 3.59Å; I329-M470 WeakPolarHBondContact O-CA 3.41Å; R431-M470 PolarHBondContact NH2-O 2.78Å; I468-M470 WeakPolarHBondContact O-CG 3.46Å; I468-M470 PolarHBondContact O-N 3.04Å
471	K	79.5	Confident	69.6	Low	90 Å²	90	55.8 Å²	55.8	39%	0.391	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	135.5	163.7	-178.8	179.9	-178.3	-165.3	0	109.6	I329 N331	I329-K471 PolarHBondContact N-O 3.43Å; I329-K471 PolarHBondContact O-N 3.35Å; N331-K471 WeakPolarHBondContact OD1-CB 3.39Å
472	I	81.3	Confident	72.8	Confident	15 Å²	15	51.4 Å²	51.4	8%	0.077	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.9	172.1	-64.1	159.8	0	0	0	108.1	F328 R427 S506 L507	F328-I472 HydrophobicContact CD1-CG1 3.95Å; F328-I472 HydrophobicContact CE1-CD1 4.37Å; F328-I472 HydrophobicContact CE1-CG1 3.7Å; R427-I472 VanDerWaalsContact CD-CG2 3.48Å; I472-S506 WeakPolarHBondContact CD1-O 3.44Å; I472-L507 WeakPolarHBondContact CD1-O 3.46Å
473	C	84.2	Confident	75.7	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	106	177.7	-78.8	0	0	0	0	108.3	H326 L327 I329 Y397	H326-C473 WeakPolarHBondContact CA-O 3.48Å; L327-C473 HydrophobicContact CB-CB 4.04Å; L327-C473 PolarHBondContact N-O 3Å; L327-C473 PolarHBondContact O-N 3.42Å; I329-C473 HydrophobicContact CD1-CB 4.05Å; I329-C473 WeakPolarHBondContact CD1-SG 3.45Å; Y397-C473 HydrophobicContact CD1-CB 3.56Å; Y397-C473 HydrophobicContact CD2-CB 3.95Å; Y397-C473 HydrophobicContact CE1-CB 3.44Å; Y397-C473 VanDerWaalsContact CE1-CB 3.44Å; Y397-C473 HydrophobicContact CE2-CB 3.82Å; Y397-C473 HydrophobicContact CG-CB 3.81Å
474	S	88.9	Confident	78.9	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.007	26%	0.256	C	S	.	.	S	Bend	trans	-151.3	-175.3	-174.8	64.7	0	0	0	0	110.8	Y397 L398 R427 E476	Y397-S474 VanDerWaalsContact CD2-N 3.31Å; L398-S474 CarbonylContact O-C 3.5Å; R427-S474 VanDerWaalsContact NH1-CB 3.27Å; R427-S474 PolarHBondContact NH2-OG 3.23Å; S474-E476 PolarHBondContact O-N 3.38Å
475	L	94.3	Very high	81.9	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.026	23%	0.233	C	C	.	.			trans	-62.1	122.3	174.9	-171	74.5	0	0	0	110.8	L398 L401 L420 L511	L398-L475 HydrophobicContact CD2-CD1 4.03Å; L398-L475 HydrophobicContact CG-CD1 3.92Å; L398-L475 WeakPolarHBondContact O-CA 3.38Å; L398-L475 PolarHBondContact O-N 3.49Å; L401-L475 HydrophobicContact CB-CD1 3.6Å; L401-L475 HydrophobicContact CB-CD2 4.38Å; L420-L475 HydrophobicContact CD2-CD2 3.93Å; L475-L511 HydrophobicContact CD2-CD2 4.25Å; L475-L511 HydrophobicContact CG-CD2 4.3Å
476	E	95.7	Very high	84.7	Confident	39 Å²	39	37.4 Å²	37.4	18%	0.182	21%	0.205	C	C	.	.			trans	-117.6	-31.2	179.2	-70.9	176.8	-176.9	0	0	111.5	L399 S474 L511 I512 I513	L399-E476 HydrophobicContact CD1-CB 3.92Å; L399-E476 HydrophobicContact CD1-CG 4.03Å; L399-E476 WeakPolarHBondContact CD1-OE2 3.44Å; L399-E476 PolarHBondContact O-N 2.87Å; S474-E476 PolarHBondContact O-N 3.38Å; E476-L511 CarbonylContact O-C 3.45Å; E476-L511 WeakPolarHBondContact O-CA 3.44Å; E476-I512 HydrophobicContact CB-CB 4.33Å; E476-I512 HydrophobicContact CB-CD1 4.04Å; E476-I512 HydrophobicContact CB-CG1 4.06Å; E476-I512 HydrophobicContact CG-CD1 3.93Å; E476-I512 HydrophobicContact CG-CG1 4.19Å; E476-I512 PolarHBondContact O-N 2.97Å; E476-I512 VanDerWaalsContact OE2-CD1 3.31Å; E476-I512 WeakPolarHBondContact OE2-CD1 3.21Å; E476-I513 PolarHBondContact O-N 2.98Å; E476-I513 VanDerWaalsContact O-N 3.12Å
477	H	98.2	Very high	87.3	Confident	30 Å²	30	35.6 Å²	35.6	14%	0.139	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.6	-178.3	-52.1	169.6	0	0	0	111	L399 E400 L401 Y479 I513	L399-H477 PolarHBondContact O-N 3.46Å; E400-H477 WeakPolarHBondContact CA-O 3.38Å; E400-H477 HydrophobicContact CB-CB 3.92Å; E400-H477 HydrophobicContact CG-CB 3.94Å; E400-H477 IonicContact OE2-CG 2.75Å; E400-H477 IonicContact OE2-ND1 2.69Å; E400-H477 PolarHBondContact OE2-ND1 2.94Å; E400-H477 VanDerWaalsContact OE2-ND1 3.08Å; L401-H477 PolarHBondContact N-O 3.07Å; H477-Y479 HydrophobicContact CB-CE2 3.88Å; H477-I513 HydrophobicContact CB-CB 4.21Å
478	L	98.4	Very high	89.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120	178.3	-179.8	59.7	0	0	0	110.8	L401 L416 L420 L480 L511 I513 L514 D515	L401-L478 HydrophobicContact CB-CD1 4.34Å; L401-L478 HydrophobicContact CD2-CD1 4.35Å; L401-L478 HydrophobicContact CG-CD1 4.46Å; L416-L478 HydrophobicContact CD2-CD1 4.01Å; L416-L478 HydrophobicContact CD2-CD2 3.91Å; L420-L478 HydrophobicContact CD1-CD2 4.44Å; L478-L480 HydrophobicContact CD1-CD1 4.49Å; L478-L480 HydrophobicContact CD1-CD2 4.44Å; L478-L480 HydrophobicContact CD1-CG 4.18Å; L478-L480 HydrophobicContact CD2-CD1 3.88Å; L478-L480 HydrophobicContact CD2-CG 4.43Å; L478-L480 HydrophobicContact CG-CD1 4.02Å; L478-L480 HydrophobicContact CG-CG 4.05Å; L478-L511 HydrophobicContact CB-CD1 4.39Å; L478-L511 HydrophobicContact CB-CD2 4.01Å; L478-L511 HydrophobicContact CD2-CD1 4.13Å; L478-I513 PolarHBondContact N-O 3.44Å; L478-L514 HydrophobicContact CB-CD1 4.43Å; L478-L514 HydrophobicContact CD2-CD1 4.34Å; L478-L514 HydrophobicContact CG-CD1 4.42Å; L478-L514 WeakPolarHBondContact O-CA 3.44Å; L478-D515 PolarHBondContact O-N 2.75Å
479	Y	98.6	Very high	91.5	Very high	47 Å²	47	33.7 Å²	33.7	18%	0.184	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.6	176.6	-54.1	-96.8	0	0	0	110.2	E400 L401 N402 L403 H477 I513 D515	E400-Y479 HydrophobicContact CG-CD2 4.23Å; E400-Y479 HydrophobicContact CG-CE2 3.74Å; L401-Y479 PolarHBondContact O-N 3.5Å; N402-Y479 HydrophobicContact CB-CD2 4.03Å; N402-Y479 HydrophobicContact CB-CG 4.36Å; L403-Y479 PolarHBondContact N-O 2.88Å; H477-Y479 HydrophobicContact CB-CE2 3.88Å; Y479-I513 HydrophobicContact CE1-CG2 4.28Å; Y479-D515 HydrophobicContact CD1-CB 3.55Å; Y479-D515 HydrophobicContact CE1-CB 4.25Å; Y479-D515 HydrophobicContact CG-CB 4.31Å
480	L	98.1	Very high	93.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.			trans	-127.7	31.6	-177.6	-68.7	166.2	0	0	0	110.8	L403 I408 L413 L416 L478 D482 N483 L485 D515 L516 N519	L403-L480 HydrophobicContact CB-CD2 4.2Å; L403-L480 HydrophobicContact CD1-CD2 4.24Å; I408-L480 HydrophobicContact CD1-CD2 4.39Å; L413-L480 HydrophobicContact CD1-CD1 3.63Å; L416-L480 HydrophobicContact CD2-CD1 4.44Å; L416-L480 HydrophobicContact CD2-CD2 4.22Å; L478-L480 HydrophobicContact CD1-CD1 4.49Å; L478-L480 HydrophobicContact CD1-CD2 4.44Å; L478-L480 HydrophobicContact CD1-CG 4.18Å; L478-L480 HydrophobicContact CD2-CD1 3.88Å; L478-L480 HydrophobicContact CD2-CG 4.43Å; L478-L480 HydrophobicContact CG-CD1 4.02Å; L478-L480 HydrophobicContact CG-CG 4.05Å; L480-D482 PolarHBondContact O-N 3.31Å; L480-N483 VanDerWaalsContact C-ND2 3.32Å; L480-N483 PolarHBondContact O-ND2 3.3Å; L480-L485 HydrophobicContact CB-CD1 3.98Å; L480-L485 HydrophobicContact CD1-CD1 4.32Å; L480-D515 CarbonylContact C-O 3.5Å; L480-D515 WeakPolarHBondContact CA-O 3.17Å; L480-D515 PolarHBondContact N-O 2.96Å; L480-L516 HydrophobicContact CB-CD2 4.22Å; L480-L516 HydrophobicContact CD1-CD2 4.12Å; L480-N519 PolarHBondContact O-ND2 3.48Å
481	V	98.2	Very high	94.6	Very high	14 Å²	14	33.2 Å²	33.2	9%	0.085	17%	0.165	C	C	.	.			trans	-58.6	134	-179.4	179.5	0	0	0	0	109.4	S404 H405 N483 D515 S517 N518	S404-V481 CarbonylContact C-O 3.48Å; S404-V481 WeakPolarHBondContact CA-O 3.37Å; S404-V481 WeakPolarHBondContact OG-CB 3.35Å; S404-V481 PolarHBondContact OG-N 2.7Å; H405-V481 PolarHBondContact N-O 3.33Å; V481-N483 PolarHBondContact O-ND2 2.84Å; V481-D515 HydrophobicContact CG2-CB 4.15Å; V481-D515 WeakPolarHBondContact CG2-OD1 3.46Å; V481-D515 WeakPolarHBondContact CG2-OD2 3.38Å; V481-S517 CarbonylContact C-O 3.35Å; V481-S517 WeakPolarHBondContact CA-O 3.31Å; V481-S517 WeakPolarHBondContact CG1-O 3.25Å; V481-N518 HydrophobicContact CG1-CB 4.14Å; V481-N518 WeakPolarHBondContact CG1-ND2 3.23Å
482	D	97.7	Very high	95.4	Very high	72 Å²	72	30.6 Å²	30.6	39%	0.385	16%	0.159	S	C	.	.	S	Bend	trans	52.4	66.5	173.5	-172.3	30.3	0	0	0	112.7	H405 N406 L480 S517 N518	H405-D482 VanDerWaalsContact CA-O 3.24Å; H405-D482 WeakPolarHBondContact CA-O 3.35Å; H405-D482 IonicContact CE1-OD2 2.85Å; H405-D482 IonicContact CG-OD2 3.88Å; H405-D482 PolarHBondContact N-O 2.97Å; H405-D482 WeakPolarHBondContact ND1-CB 3.45Å; H405-D482 IonicContact ND1-OD2 3.66Å; H405-D482 PolarHBondContact ND1-OD2 2.95Å; N406-D482 PolarHBondContact N-O 3Å; L480-D482 PolarHBondContact O-N 3.31Å; D482-S517 PolarHBondContact N-O 3.42Å; D482-N518 HydrophobicContact CB-CB 4.02Å
483	N	97.6	Very high	96.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-124.5	15.1	-178.1	-92.1	-81.5	0	0	0	113.9	L403 N406 I408 G409 L480 V481 L485 N519	L403-N483 PolarHBondContact O-ND2 2.97Å; L403-N483 PolarHBondContact O-OD1 3.4Å; N406-N483 WeakPolarHBondContact CB-OD1 3.41Å; N406-N483 WeakPolarHBondContact O-CA 3.22Å; I408-N483 HydrophobicContact CB-CB 4.46Å; I408-N483 WeakPolarHBondContact CB-OD1 3.35Å; I408-N483 VanDerWaalsContact CD1-OD1 3.28Å; I408-N483 WeakPolarHBondContact CD1-OD1 3.33Å; I408-N483 WeakPolarHBondContact CG1-OD1 3.32Å; G409-N483 PolarHBondContact N-O 3.4Å; L480-N483 VanDerWaalsContact C-ND2 3.32Å; L480-N483 PolarHBondContact O-ND2 3.3Å; V481-N483 PolarHBondContact O-ND2 2.84Å; N483-L485 HydrophobicContact CB-CD1 4.29Å; N483-L485 HydrophobicContact CB-CD2 4.13Å; N483-L485 HydrophobicContact CB-CG 3.88Å; N483-L485 PolarHBondContact O-N 3Å; N483-N519 WeakPolarHBondContact CA-OD1 3.11Å; N483-N519 PolarHBondContact N-OD1 2.95Å
484	N	96.6	Very high	96.8	Very high	85 Å²	85	30.3 Å²	30.3	46%	0.455	16%	0.158	S	C	.	.			trans	53.6	41.1	-175.5	-169.6	35	0	0	0	112.7	N519 N521	N484-N519 PolarHBondContact N-OD1 3.24Å; N484-N521 PolarHBondContact OD1-ND2 3.5Å
485	L	97.8	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.			trans	-81.3	140.9	179	-54.8	176.9	0	0	0	111.4	D410 L413 L480 N483 M490 L516 N519 N521 I522	D410-L485 WeakPolarHBondContact OD1-CA 3.36Å; L413-L485 HydrophobicContact CB-CD2 3.87Å; L413-L485 HydrophobicContact CD2-CD1 3.91Å; L413-L485 HydrophobicContact CD2-CD2 3.87Å; L413-L485 HydrophobicContact CD2-CG 4.4Å; L413-L485 HydrophobicContact CG-CD2 4.47Å; L480-L485 HydrophobicContact CB-CD1 3.98Å; L480-L485 HydrophobicContact CD1-CD1 4.32Å; N483-L485 HydrophobicContact CB-CD1 4.29Å; N483-L485 HydrophobicContact CB-CD2 4.13Å; N483-L485 HydrophobicContact CB-CG 3.88Å; N483-L485 PolarHBondContact O-N 3Å; L485-M490 HydrophobicContact CB-CE 4.39Å; L485-M490 HydrophobicContact CD1-CE 4.24Å; L485-L516 HydrophobicContact CD1-CD2 3.94Å; L485-N519 HydrophobicContact CB-CB 3.98Å; L485-N519 WeakPolarHBondContact CG-OD1 3.1Å; L485-N519 PolarHBondContact N-OD1 3.02Å; L485-N521 CarbonylContact O-C 3.38Å; L485-N521 WeakPolarHBondContact O-CB 3.48Å; L485-I522 HydrophobicContact CB-CG1 4.44Å; L485-I522 PolarHBondContact O-N 3.18Å
486	G	96.5	Very high	97.2	Very high	7 Å²	7	33.7 Å²	33.7	7%	0.072	18%	0.176	C	C	.	.			trans	-125.7	-158	177.8	0	0	0	0	0	112.9	D410 M490 N521	D410-G486 PolarHBondContact OD1-N 3.13Å; D410-G486 VanDerWaalsContact OD2-CA 3.28Å; D410-G486 WeakPolarHBondContact OD2-CA 3.19Å; D410-G486 PolarHBondContact OD2-N 3.25Å; G486-M490 WeakPolarHBondContact O-CG 3.28Å; G486-M490 PolarHBondContact O-N 3.17Å; G486-N521 WeakPolarHBondContact CA-O 3.48Å
487	I	96.4	Very high	97.1	Very high	70 Å²	70	31.9 Å²	31.9	36%	0.359	17%	0.167	S	C	.	.	H	α-helix	trans	-69.9	-40.9	-172.4	-58	166.3	0	0	0	111.2	G489 M490 Q491 K525 V529	I487-G489 VanDerWaalsContact C-N 3.29Å; I487-G489 PolarHBondContact O-N 2.96Å; I487-M490 WeakPolarHBondContact O-CB 3.43Å; I487-M490 PolarHBondContact O-N 2.69Å; I487-Q491 PolarHBondContact O-N 2.87Å; I487-K525 HydrophobicContact CD1-CB 3.93Å; I487-K525 HydrophobicContact CD1-CG 4.15Å; I487-K525 HydrophobicContact CG1-CB 4.41Å; I487-K525 HydrophobicContact CG2-CG 4.37Å; I487-V529 HydrophobicContact CG2-CG2 4.44Å
488	D	96.7	Very high	96.9	Very high	108 Å²	108	33.7 Å²	33.7	58%	0.578	18%	0.177	S	C	*	.	H	α-helix	trans	-65.8	-36.4	-176.9	-62.9	-26	0	0	0	111.1	D410 M490 Q491 S492	D410-D488 HydrophobicContact CB-CB 4.11Å; D488-M490 VanDerWaalsContact C-N 3.35Å; D488-Q491 WeakPolarHBondContact O-CB 3.48Å; D488-Q491 PolarHBondContact O-N 3.39Å; D488-S492 PolarHBondContact O-N 3.41Å; D488-S492 PolarHBondContact O-OG 3.3Å
489	G	96.5	Very high	96.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-40.8	172.3	0	0	0	0	0	112.1	D410 L413 I487 Q491 S492 L493	D410-G489 WeakPolarHBondContact OD1-CA 3.42Å; D410-G489 PolarHBondContact OD1-N 2.94Å; D410-G489 PolarHBondContact OD2-N 3.31Å; L413-G489 WeakPolarHBondContact CD2-O 3.41Å; I487-G489 VanDerWaalsContact C-N 3.29Å; I487-G489 PolarHBondContact O-N 2.96Å; G489-Q491 VanDerWaalsContact C-N 3.35Å; G489-S492 WeakPolarHBondContact O-CB 3.44Å; G489-S492 PolarHBondContact O-N 3.29Å; G489-L493 PolarHBondContact O-N 3.2Å
490	M	97.8	Very high	96.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67.3	-34.3	176.3	-67.3	-54.8	97.5	0	0	112.5	L413 L485 G486 I487 D488 S492 L493 A494 L516 I522 L530	L413-M490 HydrophobicContact CD2-CE 3.64Å; L485-M490 HydrophobicContact CB-CE 4.39Å; L485-M490 HydrophobicContact CD1-CE 4.24Å; G486-M490 WeakPolarHBondContact O-CG 3.28Å; G486-M490 PolarHBondContact O-N 3.17Å; I487-M490 WeakPolarHBondContact O-CB 3.43Å; I487-M490 PolarHBondContact O-N 2.69Å; D488-M490 VanDerWaalsContact C-N 3.35Å; M490-S492 VanDerWaalsContact C-N 3.33Å; M490-S492 PolarHBondContact O-N 3.1Å; M490-L493 HydrophobicContact CE-CD2 4.1Å; M490-L493 PolarHBondContact O-N 3Å; M490-L493 HydrophobicContact SD-CD2 4.3Å; M490-A494 VanDerWaalsContact O-CB 3.31Å; M490-A494 WeakPolarHBondContact O-CB 3.21Å; M490-A494 PolarHBondContact O-N 3.06Å; M490-L516 HydrophobicContact CE-CD1 4.15Å; M490-L516 HydrophobicContact CE-CD2 3.96Å; M490-L516 HydrophobicContact SD-CD1 3.69Å; M490-I522 HydrophobicContact CE-CD1 4.09Å; M490-I522 HydrophobicContact CE-CG1 4.47Å; M490-I522 HydrophobicContact CG-CD1 4.43Å; M490-I522 HydrophobicContact CG-CG1 4.2Å; M490-I522 HydrophobicContact CG-CG2 4Å; M490-I522 HydrophobicContact SD-CD1 3.98Å; M490-I522 HydrophobicContact SD-CG1 4.39Å; M490-L530 HydrophobicContact SD-CD1 4.32Å; M490-L530 HydrophobicContact SD-CD2 4.44Å
491	Q	97.3	Very high	96	Very high	113 Å²	113	36.9 Å²	36.9	53%	0.528	20%	0.196	S	C	.	.	H	α-helix	trans	-61.1	-44	173.4	-170.2	177.1	4.8	0	0	111.5	I487 D488 G489 L493 A494 I495 V529	I487-Q491 PolarHBondContact O-N 2.87Å; D488-Q491 WeakPolarHBondContact O-CB 3.48Å; D488-Q491 PolarHBondContact O-N 3.39Å; G489-Q491 VanDerWaalsContact C-N 3.35Å; Q491-L493 VanDerWaalsContact C-N 3.34Å; Q491-L493 PolarHBondContact O-N 3.35Å; Q491-A494 PolarHBondContact O-N 2.91Å; Q491-I495 WeakPolarHBondContact O-CG1 3.28Å; Q491-I495 PolarHBondContact O-N 2.77Å; Q491-V529 HydrophobicContact CB-CG1 4Å; Q491-V529 HydrophobicContact CG-CG1 4.42Å
492	S	97	Very high	95.6	Very high	36 Å²	36	43.5 Å²	43.5	25%	0.252	22%	0.224	S	C	.	.	H	α-helix	trans	-62.1	-42.6	175.5	-63.6	0	0	0	0	112	D488 G489 M490 I495 V496	D488-S492 PolarHBondContact O-N 3.41Å; D488-S492 PolarHBondContact O-OG 3.3Å; G489-S492 WeakPolarHBondContact O-CB 3.44Å; G489-S492 PolarHBondContact O-N 3.29Å; M490-S492 VanDerWaalsContact C-N 3.33Å; M490-S492 PolarHBondContact O-N 3.1Å; S492-I495 PolarHBondContact O-N 3.36Å; S492-V496 PolarHBondContact O-N 2.91Å
493	L	97.5	Very high	95.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-70	-37.1	179.8	-169.9	60	0	0	0	112.6	G489 M490 Q491 I495 V496 L497 L514 L516 L530	G489-L493 PolarHBondContact O-N 3.2Å; M490-L493 HydrophobicContact CE-CD2 4.1Å; M490-L493 PolarHBondContact O-N 3Å; M490-L493 HydrophobicContact SD-CD2 4.3Å; Q491-L493 VanDerWaalsContact C-N 3.34Å; Q491-L493 PolarHBondContact O-N 3.35Å; L493-I495 VanDerWaalsContact C-N 3.29Å; L493-I495 PolarHBondContact O-N 3.12Å; L493-V496 WeakPolarHBondContact O-CB 3.35Å; L493-V496 PolarHBondContact O-N 2.97Å; L493-V496 VanDerWaalsContact O-N 3.12Å; L493-L497 HydrophobicContact CG-CD1 4.11Å; L493-L497 HydrophobicContact CG-CG 4.48Å; L493-L497 WeakPolarHBondContact O-CG 3Å; L493-L497 PolarHBondContact O-N 3.16Å; L493-L514 HydrophobicContact CD2-CD1 4.23Å; L493-L514 HydrophobicContact CD2-CD2 3.74Å; L493-L514 HydrophobicContact CG-CD2 4.45Å; L493-L516 HydrophobicContact CD2-CD1 4.04Å; L493-L516 HydrophobicContact CD2-CD2 4.08Å; L493-L530 HydrophobicContact CD2-CD1 4.22Å; L493-L530 HydrophobicContact CG-CD1 4.48Å
494	A	96.8	Very high	94.6	Very high	9 Å²	9	45.1 Å²	45.1	7%	0.074	24%	0.237	C	C	.	.	H	α-helix	trans	-59	-40.9	175.7	0	0	0	0	0	111.5	M490 Q491 V496 L497 M498 V529 G533	M490-A494 VanDerWaalsContact O-CB 3.31Å; M490-A494 WeakPolarHBondContact O-CB 3.21Å; M490-A494 PolarHBondContact O-N 3.06Å; Q491-A494 PolarHBondContact O-N 2.91Å; A494-V496 VanDerWaalsContact C-N 3.33Å; A494-V496 PolarHBondContact O-N 2.92Å; A494-L497 PolarHBondContact O-N 3.26Å; A494-M498 WeakPolarHBondContact O-CB 3.42Å; A494-M498 PolarHBondContact O-N 3.3Å; A494-V529 HydrophobicContact CB-CG1 4.23Å; A494-V529 WeakPolarHBondContact CB-O 3.32Å; A494-G533 WeakPolarHBondContact O-CA 3.45Å
495	I	95.7	Very high	94.1	Very high	78 Å²	78	43.8 Å²	43.8	40%	0.4	23%	0.229	S	C	.	.	H	α-helix	trans	-60.3	-43.5	175.3	-64.9	165.5	0	0	0	110.8	L421 Q491 S492 L493 Q499	L421-I495 HydrophobicContact CD1-CG2 4.15Å; L421-I495 HydrophobicContact CD2-CG2 4.48Å; Q491-I495 WeakPolarHBondContact O-CG1 3.28Å; Q491-I495 PolarHBondContact O-N 2.77Å; S492-I495 PolarHBondContact O-N 3.36Å; L493-I495 VanDerWaalsContact C-N 3.29Å; L493-I495 PolarHBondContact O-N 3.12Å; I495-Q499 WeakPolarHBondContact O-CG 3.03Å
496	V	95.4	Very high	93.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-48.7	177.3	178.8	0	0	0	0	110.9	C417 L420 L421 Y424 S492 L493 A494 M498 Q499	C417-V496 HydrophobicContact CB-CG2 3.51Å; L420-V496 HydrophobicContact CB-CG1 3.95Å; L420-V496 HydrophobicContact CB-CG2 4.47Å; L420-V496 HydrophobicContact CD1-CG1 4.1Å; L421-V496 HydrophobicContact CD1-CG2 4.44Å; L421-V496 HydrophobicContact CD2-CG2 4.25Å; L421-V496 HydrophobicContact CG-CG2 3.99Å; Y424-V496 HydrophobicContact CE2-CG1 3.69Å; S492-V496 PolarHBondContact O-N 2.91Å; L493-V496 WeakPolarHBondContact O-CB 3.35Å; L493-V496 PolarHBondContact O-N 2.97Å; L493-V496 VanDerWaalsContact O-N 3.12Å; A494-V496 VanDerWaalsContact C-N 3.33Å; A494-V496 PolarHBondContact O-N 2.92Å; V496-M498 VanDerWaalsContact C-N 3.27Å; V496-M498 PolarHBondContact O-N 3.03Å; V496-Q499 WeakPolarHBondContact O-CB 3.22Å; V496-Q499 PolarHBondContact O-N 2.95Å
497	L	95.2	Very high	92.9	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-35.4	-176.1	-68.9	168.7	0	0	0	111.9	L493 A494 Q499 T500 L514 L530 L534 N537	L493-L497 HydrophobicContact CG-CD1 4.11Å; L493-L497 HydrophobicContact CG-CG 4.48Å; L493-L497 WeakPolarHBondContact O-CG 3Å; L493-L497 PolarHBondContact O-N 3.16Å; A494-L497 PolarHBondContact O-N 3.26Å; L497-Q499 PolarHBondContact O-N 2.93Å; L497-T500 PolarHBondContact O-N 3.42Å; L497-T500 PolarHBondContact O-OG1 3.26Å; L497-L514 HydrophobicContact CD1-CD2 4.37Å; L497-L530 HydrophobicContact CD1-CD1 3.6Å; L497-L534 HydrophobicContact CD1-CD2 3.78Å; L497-L534 HydrophobicContact CD1-CG 4.1Å; L497-L534 HydrophobicContact CD2-CD2 4.43Å; L497-N537 PolarHBondContact O-ND2 2.98Å
498	M	93.4	Very high	92.5	Very high	68 Å²	68	44.1 Å²	44.1	34%	0.335	24%	0.235	S	C	.	.	H	α-helix	trans	-64.2	-23.3	175.5	-177	172.2	63.4	0	0	113.4	A494 V496 T500 R536	A494-M498 WeakPolarHBondContact O-CB 3.42Å; A494-M498 PolarHBondContact O-N 3.3Å; V496-M498 VanDerWaalsContact C-N 3.27Å; V496-M498 PolarHBondContact O-N 3.03Å; M498-T500 PolarHBondContact O-N 3.06Å; M498-R536 HydrophobicContact CG-CB 4.3Å
499	Q	92.4	Very high	92.1	Very high	81 Å²	81	39.6 Å²	39.6	38%	0.379	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	6	-179.9	-59.4	-51.2	-52	0	0	114.3	L421 Y424 I495 V496 L497 P501	L421-Q499 HydrophobicContact CD2-CB 4.44Å; L421-Q499 HydrophobicContact CD2-CG 3.52Å; Y424-Q499 HydrophobicContact CD2-CB 3.88Å; Y424-Q499 HydrophobicContact CE2-CB 4.31Å; I495-Q499 WeakPolarHBondContact O-CG 3.03Å; V496-Q499 WeakPolarHBondContact O-CB 3.22Å; V496-Q499 PolarHBondContact O-N 2.95Å; L497-Q499 PolarHBondContact O-N 2.93Å; Q499-P501 WeakPolarHBondContact O-CD 3.35Å
500	T	91.3	Very high	91.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.217	C	C	.	.			trans	-121.1	57.9	177.3	63.2	0	0	0	0	112.7	Y424 L497 M498 G509 N537 Y538 S539	Y424-T500 HydrophobicContact CD2-CG2 4.46Å; Y424-T500 HydrophobicContact CE2-CG2 3.84Å; L497-T500 PolarHBondContact O-N 3.42Å; L497-T500 PolarHBondContact O-OG1 3.26Å; M498-T500 PolarHBondContact O-N 3.06Å; T500-G509 WeakPolarHBondContact CG2-O 3.35Å; T500-N537 PolarHBondContact OG1-ND2 3.26Å; T500-Y538 PolarHBondContact O-N 2.59Å; T500-S539 PolarHBondContact OG1-OG 2.97Å
501	P	92.9	Very high	91.8	Very high	33 Å²	33	39.8 Å²	39.8	21%	0.214	22%	0.217	C	C	.	.			trans	-68	163.8	172.5	32.7	-36.7	0	0	0	111.2	Q499 S503 L504 I505 R536	Q499-P501 WeakPolarHBondContact O-CD 3.35Å; P501-S503 PolarHBondContact O-N 3.04Å; P501-S503 VanDerWaalsContact O-N 3.1Å; P501-L504 HydrophobicContact CG-CB 4.06Å; P501-L504 HydrophobicContact CG-CD1 3.97Å; P501-L504 HydrophobicContact CG-CG 4.05Å; P501-L504 PolarHBondContact O-N 3.37Å; P501-I505 PolarHBondContact O-N 3.35Å; P501-I505 VanDerWaalsContact O-N 3.1Å; P501-R536 WeakPolarHBondContact CA-O 3.24Å
502	K	89.6	Confident	91.8	Very high	152 Å²	152	36.9 Å²	36.9	66%	0.661	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-36.5	-179	-169	177.8	176.4	-177.3	0	113.6	I505 Y538	K502-I505 WeakPolarHBondContact O-CG2 3.48Å; K502-Y538 HydrophobicContact CB-CD1 3.71Å; K502-Y538 HydrophobicContact CB-CD2 3.78Å; K502-Y538 HydrophobicContact CB-CE1 3.85Å; K502-Y538 HydrophobicContact CB-CE2 3.94Å; K502-Y538 HydrophobicContact CB-CG 3.66Å; K502-Y538 HydrophobicContact CD-CD1 4.17Å; K502-Y538 HydrophobicContact CD-CE1 3.88Å; K502-Y538 HydrophobicContact CG-CD1 3.98Å; K502-Y538 HydrophobicContact CG-CE1 4.16Å; K502-Y538 HydrophobicContact CG-CG 4.35Å
503	S	87.1	Confident	91.8	Very high	57 Å²	57	35.8 Å²	35.8	40%	0.399	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-29.4	-179.6	51.8	0	0	0	0	113.7	P501	P501-S503 PolarHBondContact O-N 3.04Å; P501-S503 VanDerWaalsContact O-N 3.1Å
504	L	87.3	Confident	91.9	Very high	50 Å²	50	35.8 Å²	35.8	26%	0.262	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-14.3	-172.5	-66.6	-179.4	0	0	0	114.1	L428 P501 S506 L507 V508	L428-L504 HydrophobicContact CD2-CD2 4.25Å; P501-L504 HydrophobicContact CG-CB 4.06Å; P501-L504 HydrophobicContact CG-CD1 3.97Å; P501-L504 HydrophobicContact CG-CG 4.05Å; P501-L504 PolarHBondContact O-N 3.37Å; L504-S506 PolarHBondContact O-N 2.9Å; L504-S506 VanDerWaalsContact O-N 3.15Å; L504-L507 HydrophobicContact CD2-CD1 4.11Å; L504-L507 WeakPolarHBondContact O-CA 3.07Å; L504-L507 WeakPolarHBondContact O-CB 3.48Å; L504-L507 PolarHBondContact O-N 2.98Å; L504-V508 HydrophobicContact CB-CG2 4.17Å; L504-V508 PolarHBondContact O-N 3.25Å
505	I	86.7	Confident	92	Very high	56 Å²	56	36.4 Å²	36.4	29%	0.287	20%	0.197	S	C	.	.	H	α-helix	trans	-57.1	-33.8	-174.8	-167.4	171	0	0	0	113.6	P501 K502 L507 G509	P501-I505 PolarHBondContact O-N 3.35Å; P501-I505 VanDerWaalsContact O-N 3.1Å; K502-I505 WeakPolarHBondContact O-CG2 3.48Å; I505-L507 VanDerWaalsContact C-N 3.26Å; I505-L507 PolarHBondContact O-N 3.15Å; I505-G509 VanDerWaalsContact O-CA 3.25Å; I505-G509 WeakPolarHBondContact O-CA 3.19Å; I505-G509 PolarHBondContact O-N 3.26Å
506	S	84.9	Confident	92.1	Very high	71 Å²	71	32.7 Å²	32.7	50%	0.497	18%	0.178	S	C	.	.	H	α-helix	trans	-72.9	-16.1	176.6	58.4	0	0	0	0	114	I472 L504	I472-S506 WeakPolarHBondContact CD1-O 3.44Å; L504-S506 PolarHBondContact O-N 2.9Å; L504-S506 VanDerWaalsContact O-N 3.15Å
507	L	84	Confident	92.2	Very high	12 Å²	12	33 Å²	33	6%	0.063	18%	0.181	C	C	.	.	H	α-helix	trans	-102.8	-31.7	179.9	-64	172.5	0	0	0	112.6	L428 R431 L443 I472 L504 I505	L428-L507 HydrophobicContact CD2-CB 4.06Å; L428-L507 HydrophobicContact CD2-CD1 4.49Å; R431-L507 HydrophobicContact CB-CD2 4.26Å; R431-L507 HydrophobicContact CG-CD2 4.15Å; L443-L507 HydrophobicContact CD1-CD1 4.36Å; L443-L507 HydrophobicContact CD1-CD2 4.4Å; L443-L507 HydrophobicContact CD2-CD1 4.37Å; I472-L507 WeakPolarHBondContact CD1-O 3.46Å; L504-L507 HydrophobicContact CD2-CD1 4.11Å; L504-L507 WeakPolarHBondContact O-CA 3.07Å; L504-L507 WeakPolarHBondContact O-CB 3.48Å; L504-L507 PolarHBondContact O-N 2.98Å; I505-L507 VanDerWaalsContact C-N 3.26Å; I505-L507 PolarHBondContact O-N 3.15Å
508	V	87.3	Confident	92.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-108.9	-24.5	-174.3	-173.9	0	0	0	0	112.9	Y424 R427 L428 L504	Y424-V508 HydrophobicContact CD1-CG1 3.51Å; Y424-V508 HydrophobicContact CD2-CG1 3.93Å; Y424-V508 HydrophobicContact CE1-CG1 4.24Å; Y424-V508 HydrophobicContact CG-CG1 3.32Å; R427-V508 PolarHBondContact NE-O 3.46Å; R427-V508 PolarHBondContact NH2-O 3.32Å; L428-V508 HydrophobicContact CD1-CG2 4.01Å; L428-V508 HydrophobicContact CD2-CG2 3.38Å; L428-V508 HydrophobicContact CG-CG2 3.55Å; L504-V508 HydrophobicContact CB-CG2 4.17Å; L504-V508 PolarHBondContact O-N 3.25Å
509	G	88	Confident	92.6	Very high	13 Å²	13	32.5 Å²	32.5	13%	0.134	18%	0.179	C	C	.	.			trans	63.2	-160.8	-163.9	0	0	0	0	0	111	T500 I505	T500-G509 WeakPolarHBondContact CG2-O 3.35Å; I505-G509 VanDerWaalsContact O-CA 3.25Å; I505-G509 WeakPolarHBondContact O-CA 3.19Å; I505-G509 PolarHBondContact O-N 3.26Å
510	G	92.2	Very high	92.8	Very high	5 Å²	5	32.3 Å²	32.3	5%	0.052	18%	0.183	C	C	.	.			trans	174	174.3	178.7	0	0	0	0	0	112.4
511	L	95.9	Very high	93	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.			trans	-69.2	132.1	171.7	-64.6	176.4	0	0	0	109.5	L420 L475 E476 L478 S539 L540	L420-L511 HydrophobicContact CD1-CD1 4.4Å; L475-L511 HydrophobicContact CD2-CD2 4.25Å; L475-L511 HydrophobicContact CG-CD2 4.3Å; E476-L511 CarbonylContact O-C 3.45Å; E476-L511 WeakPolarHBondContact O-CA 3.44Å; L478-L511 HydrophobicContact CB-CD1 4.39Å; L478-L511 HydrophobicContact CB-CD2 4.01Å; L478-L511 HydrophobicContact CD2-CD1 4.13Å; L511-S539 CarbonylContact O-C 3.58Å; L511-S539 VanDerWaalsContact O-C 3.22Å; L511-S539 WeakPolarHBondContact O-CB 3.41Å; L511-S539 PolarHBondContact O-OG 2.74Å; L511-L540 HydrophobicContact CB-CD1 4.17Å; L511-L540 VanDerWaalsContact O-CA 3.25Å; L511-L540 WeakPolarHBondContact O-CA 3.24Å; L511-L540 PolarHBondContact O-N 2.73Å; L511-L540 VanDerWaalsContact O-N 3.17Å
512	I	96.8	Very high	93.2	Very high	52 Å²	52	35.4 Å²	35.4	27%	0.267	20%	0.198	S	C	.	.	S	Bend	trans	-99.2	-40.4	175.4	-61.7	-177.5	0	0	0	109.8	E476 L540 K541 E542	E476-I512 HydrophobicContact CB-CB 4.33Å; E476-I512 HydrophobicContact CB-CD1 4.04Å; E476-I512 HydrophobicContact CB-CG1 4.06Å; E476-I512 HydrophobicContact CG-CD1 3.93Å; E476-I512 HydrophobicContact CG-CG1 4.19Å; E476-I512 PolarHBondContact O-N 2.97Å; E476-I512 VanDerWaalsContact OE2-CD1 3.31Å; E476-I512 WeakPolarHBondContact OE2-CD1 3.21Å; I512-L540 WeakPolarHBondContact O-CD1 3.23Å; I512-K541 HydrophobicContact CG2-CB 3.98Å; I512-K541 HydrophobicContact CG2-CG 3.85Å; I512-K541 PolarHBondContact O-N 3.14Å; I512-E542 PolarHBondContact O-N 3.15Å
513	I	98.5	Very high	93.5	Very high	13 Å²	13	28.8 Å²	28.8	7%	0.067	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128	-179.2	-56.5	-175.9	0	0	0	109.1	E476 H477 L478 Y479 E542 Y544	E476-I513 PolarHBondContact O-N 2.98Å; E476-I513 VanDerWaalsContact O-N 3.12Å; H477-I513 HydrophobicContact CB-CB 4.21Å; L478-I513 PolarHBondContact N-O 3.44Å; Y479-I513 HydrophobicContact CE1-CG2 4.28Å; I513-E542 HydrophobicContact CB-CB 4.49Å; I513-E542 HydrophobicContact CG1-CB 4.1Å; I513-E542 HydrophobicContact CG1-CG 4.1Å; I513-E542 HydrophobicContact CG2-CB 4.3Å; I513-Y544 HydrophobicContact CG2-CD2 4.5Å; I513-Y544 HydrophobicContact CG2-CE2 4.02Å
514	L	98.5	Very high	94	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	119.6	174.7	175.8	61.9	0	0	0	109.8	L478 L493 L497 L516 L540 E542 L543 Y544	L478-L514 HydrophobicContact CB-CD1 4.43Å; L478-L514 HydrophobicContact CD2-CD1 4.34Å; L478-L514 HydrophobicContact CG-CD1 4.42Å; L478-L514 WeakPolarHBondContact O-CA 3.44Å; L493-L514 HydrophobicContact CD2-CD1 4.23Å; L493-L514 HydrophobicContact CD2-CD2 3.74Å; L493-L514 HydrophobicContact CG-CD2 4.45Å; L497-L514 HydrophobicContact CD1-CD2 4.37Å; L514-L516 HydrophobicContact CD1-CD2 4.1Å; L514-L516 HydrophobicContact CD1-CG 4.12Å; L514-L516 HydrophobicContact CD2-CD1 4.03Å; L514-L516 HydrophobicContact CD2-CG 4.33Å; L514-L516 HydrophobicContact CG-CD1 4.25Å; L514-L516 HydrophobicContact CG-CG 4.01Å; L514-L540 HydrophobicContact CB-CD1 3.63Å; L514-L540 HydrophobicContact CB-CD2 4.27Å; L514-L540 HydrophobicContact CD2-CD2 4.46Å; L514-E542 PolarHBondContact N-O 2.93Å; L514-L543 HydrophobicContact CB-CD1 4.29Å; L514-L543 HydrophobicContact CD2-CD1 4.05Å; L514-L543 HydrophobicContact CG-CD1 4.19Å; L514-L543 WeakPolarHBondContact O-CA 3.33Å; L514-Y544 PolarHBondContact O-N 3.34Å
515	D	98.6	Very high	94.4	Very high	21 Å²	21	30.5 Å²	30.5	11%	0.112	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.2	175.1	-167.7	-9.9	0	0	0	111.3	L478 Y479 L480 V481 S517 Y544	L478-D515 PolarHBondContact O-N 2.75Å; Y479-D515 HydrophobicContact CD1-CB 3.55Å; Y479-D515 HydrophobicContact CE1-CB 4.25Å; Y479-D515 HydrophobicContact CG-CB 4.31Å; L480-D515 CarbonylContact C-O 3.5Å; L480-D515 WeakPolarHBondContact CA-O 3.17Å; L480-D515 PolarHBondContact N-O 2.96Å; V481-D515 HydrophobicContact CG2-CB 4.15Å; V481-D515 WeakPolarHBondContact CG2-OD1 3.46Å; V481-D515 WeakPolarHBondContact CG2-OD2 3.38Å; D515-S517 WeakPolarHBondContact OD1-CB 3.19Å; D515-S517 PolarHBondContact OD1-N 2.95Å; D515-S517 PolarHBondContact OD1-OG 2.85Å; D515-Y544 HydrophobicContact CB-CD2 4.23Å; D515-Y544 HydrophobicContact CB-CG 4.37Å; D515-Y544 VanDerWaalsContact OD1-CB 3.27Å; D515-Y544 WeakPolarHBondContact OD1-CB 3.5Å
516	L	98.4	Very high	94.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.159	C	C	.	.			trans	-114.7	15.2	179.6	-64.9	171.9	0	0	0	111.9	L480 L485 M490 L493 L514 N519 I522 L530 Y544 L545	L480-L516 HydrophobicContact CB-CD2 4.22Å; L480-L516 HydrophobicContact CD1-CD2 4.12Å; L485-L516 HydrophobicContact CD1-CD2 3.94Å; M490-L516 HydrophobicContact CE-CD1 4.15Å; M490-L516 HydrophobicContact CE-CD2 3.96Å; M490-L516 HydrophobicContact SD-CD1 3.69Å; L493-L516 HydrophobicContact CD2-CD1 4.04Å; L493-L516 HydrophobicContact CD2-CD2 4.08Å; L514-L516 HydrophobicContact CD1-CD2 4.1Å; L514-L516 HydrophobicContact CD1-CG 4.12Å; L514-L516 HydrophobicContact CD2-CD1 4.03Å; L514-L516 HydrophobicContact CD2-CG 4.33Å; L514-L516 HydrophobicContact CG-CD1 4.25Å; L514-L516 HydrophobicContact CG-CG 4.01Å; L516-N519 PolarHBondContact O-ND2 3.36Å; L516-I522 HydrophobicContact CB-CD1 4.16Å; L516-L530 HydrophobicContact CD1-CD2 3.88Å; L516-Y544 PolarHBondContact N-O 2.92Å; L516-L545 HydrophobicContact CB-CD2 4.15Å; L516-L545 HydrophobicContact CD1-CD2 4.06Å
517	S	98.3	Very high	95.6	Very high	8 Å²	8	24.4 Å²	24.4	6%	0.056	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	153.8	-173.7	-57.3	0	0	0	0	113	V481 D482 D515 N519 R546	V481-S517 CarbonylContact C-O 3.35Å; V481-S517 WeakPolarHBondContact CA-O 3.31Å; V481-S517 WeakPolarHBondContact CG1-O 3.25Å; D482-S517 PolarHBondContact N-O 3.42Å; D515-S517 WeakPolarHBondContact OD1-CB 3.19Å; D515-S517 PolarHBondContact OD1-N 2.95Å; D515-S517 PolarHBondContact OD1-OG 2.85Å; S517-N519 PolarHBondContact O-N 2.92Å; S517-N519 VanDerWaalsContact O-N 3.16Å; S517-N519 PolarHBondContact O-ND2 3.43Å; S517-R546 CarbonylContact C-O 3.58Å; S517-R546 WeakPolarHBondContact CA-O 3.48Å; S517-R546 PolarHBondContact OG-N 3.09Å
518	N	97.8	Very high	96.2	Very high	57 Å²	57	27.5 Å²	27.5	31%	0.305	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	20.1	178	-54.5	-37.3	0	0	0	115.1	V481 D482 V520 R546 S547	V481-N518 HydrophobicContact CG1-CB 4.14Å; V481-N518 WeakPolarHBondContact CG1-ND2 3.23Å; D482-N518 HydrophobicContact CB-CB 4.02Å; N518-V520 PolarHBondContact O-N 3.33Å; N518-R546 PolarHBondContact N-O 3.22Å; N518-S547 WeakPolarHBondContact CA-O 3.48Å; N518-S547 VanDerWaalsContact OD1-CB 3.32Å; N518-S547 WeakPolarHBondContact OD1-CB 3.32Å
519	N	98	Very high	96.6	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.155	C	C	.	.			trans	-95.8	83.8	169.2	-70.4	-70	0	0	0	110	L480 N483 N484 L485 L516 S517 N521 I522	L480-N519 PolarHBondContact O-ND2 3.48Å; N483-N519 WeakPolarHBondContact CA-OD1 3.11Å; N483-N519 PolarHBondContact N-OD1 2.95Å; N484-N519 PolarHBondContact N-OD1 3.24Å; L485-N519 HydrophobicContact CB-CB 3.98Å; L485-N519 WeakPolarHBondContact CG-OD1 3.1Å; L485-N519 PolarHBondContact N-OD1 3.02Å; L516-N519 PolarHBondContact O-ND2 3.36Å; S517-N519 PolarHBondContact O-N 2.92Å; S517-N519 VanDerWaalsContact O-N 3.16Å; S517-N519 PolarHBondContact O-ND2 3.43Å; N519-N521 PolarHBondContact O-N 3.19Å; N519-I522 HydrophobicContact CB-CD1 3.53Å; N519-I522 HydrophobicContact CB-CG1 3.82Å; N519-I522 WeakPolarHBondContact O-CB 3.46Å; N519-I522 WeakPolarHBondContact O-CG1 3.46Å; N519-I522 PolarHBondContact O-N 2.96Å
520	V	96.4	Very high	97.1	Very high	77 Å²	77	27.8 Å²	27.8	47%	0.467	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.1	-172	-175.1	0	0	0	0	113	N518 I522 N549	N518-V520 PolarHBondContact O-N 3.33Å; V520-I522 VanDerWaalsContact C-N 3.3Å; V520-I522 PolarHBondContact O-N 2.8Å; V520-N549 HydrophobicContact CG1-CB 3.84Å; V520-N549 WeakPolarHBondContact O-CB 3.47Å
521	N	96.3	Very high	97.3	Very high	97 Å²	97	28 Å²	28	52%	0.519	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.2	-177.6	-62.6	-28.1	0	0	0	113.7	N484 L485 G486 N519	N484-N521 PolarHBondContact OD1-ND2 3.5Å; L485-N521 CarbonylContact O-C 3.38Å; L485-N521 WeakPolarHBondContact O-CB 3.48Å; G486-N521 WeakPolarHBondContact CA-O 3.48Å; N519-N521 PolarHBondContact O-N 3.19Å
522	I	97.4	Very high	97.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.177	C	C	.	.	S	Bend	trans	-63.5	-54.6	173.6	-67.2	177.9	0	0	0	109.6	L485 M490 L516 N519 V520 G526 V527 I548	L485-I522 HydrophobicContact CB-CG1 4.44Å; L485-I522 PolarHBondContact O-N 3.18Å; M490-I522 HydrophobicContact CE-CD1 4.09Å; M490-I522 HydrophobicContact CE-CG1 4.47Å; M490-I522 HydrophobicContact CG-CD1 4.43Å; M490-I522 HydrophobicContact CG-CG1 4.2Å; M490-I522 HydrophobicContact CG-CG2 4Å; M490-I522 HydrophobicContact SD-CD1 3.98Å; M490-I522 HydrophobicContact SD-CG1 4.39Å; L516-I522 HydrophobicContact CB-CD1 4.16Å; N519-I522 HydrophobicContact CB-CD1 3.53Å; N519-I522 HydrophobicContact CB-CG1 3.82Å; N519-I522 WeakPolarHBondContact O-CB 3.46Å; N519-I522 WeakPolarHBondContact O-CG1 3.46Å; N519-I522 PolarHBondContact O-N 2.96Å; V520-I522 VanDerWaalsContact C-N 3.3Å; V520-I522 PolarHBondContact O-N 2.8Å; I522-G526 VanDerWaalsContact O-CA 3.28Å; I522-G526 WeakPolarHBondContact O-CA 3.37Å; I522-G526 PolarHBondContact O-N 3.34Å; I522-V527 HydrophobicContact CG2-CG2 4.11Å; I522-I548 HydrophobicContact CB-CB 4.36Å; I522-I548 HydrophobicContact CD1-CG2 4.3Å; I522-I548 HydrophobicContact CG2-CD1 4.2Å
523	G	95.8	Very high	96.9	Very high	13 Å²	13	31.5 Å²	31.5	13%	0.134	17%	0.165	C	C	.	.	H	α-helix	trans	55.5	-169.5	179.7	0	0	0	0	0	114.4	K525 G526 V527 I548	G523-K525 VanDerWaalsContact C-N 3.33Å; G523-K525 PolarHBondContact O-N 3.35Å; G523-G526 PolarHBondContact O-N 2.95Å; G523-V527 WeakPolarHBondContact O-CG2 3.48Å; G523-V527 PolarHBondContact O-N 3.06Å; G523-I548 WeakPolarHBondContact CA-O 3.24Å; G523-I548 PolarHBondContact N-O 3.08Å; G523-I548 VanDerWaalsContact N-O 3.08Å
524	D	96.9	Very high	96.8	Very high	41 Å²	41	31 Å²	31	22%	0.219	16%	0.163	C	C	.	.	H	α-helix	trans	-61.7	-40.2	-178.2	-66.6	-35.6	0	0	0	113	V527 E528 M550 S551 G554	D524-V527 PolarHBondContact O-N 3Å; D524-E528 PolarHBondContact O-N 2.67Å; D524-M550 WeakPolarHBondContact OD1-CA 3.21Å; D524-S551 PolarHBondContact OD1-N 2.82Å; D524-S551 PolarHBondContact OD1-OG 3.13Å; D524-S551 WeakPolarHBondContact OD2-CB 3.43Å; D524-S551 PolarHBondContact OD2-OG 2.82Å; D524-G554 WeakPolarHBondContact OD1-CA 3.43Å; D524-G554 PolarHBondContact OD1-N 3.29Å
525	K	96.7	Very high	96.5	Very high	101 Å²	101	34.4 Å²	34.4	44%	0.439	18%	0.181	S	C	.	.	H	α-helix	trans	-70.4	-37.7	-177	-169.4	51.3	168.9	172.8	0	112.2	I487 G523 V527 E528 V529	I487-K525 HydrophobicContact CD1-CB 3.93Å; I487-K525 HydrophobicContact CD1-CG 4.15Å; I487-K525 HydrophobicContact CG1-CB 4.41Å; I487-K525 HydrophobicContact CG2-CG 4.37Å; G523-K525 VanDerWaalsContact C-N 3.33Å; G523-K525 PolarHBondContact O-N 3.35Å; K525-V527 VanDerWaalsContact C-N 3.3Å; K525-V527 PolarHBondContact O-N 2.8Å; K525-E528 HydrophobicContact CD-CB 4.41Å; K525-E528 WeakPolarHBondContact CD-OE2 3.44Å; K525-E528 IonicContact NZ-OE1 3.29Å; K525-E528 PolarHBondContact NZ-OE1 2.71Å; K525-E528 IonicContact NZ-OE2 3.08Å; K525-E528 PolarHBondContact NZ-OE2 3.36Å; K525-E528 PolarHBondContact O-N 2.93Å; K525-V529 WeakPolarHBondContact O-CG2 3.37Å; K525-V529 PolarHBondContact O-N 3.09Å; K525-V529 VanDerWaalsContact O-N 3.13Å
526	G	97.1	Very high	96	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.1	-35.5	174	0	0	0	0	0	112	I522 G523 L530	I522-G526 VanDerWaalsContact O-CA 3.28Å; I522-G526 WeakPolarHBondContact O-CA 3.37Å; I522-G526 PolarHBondContact O-N 3.34Å; G523-G526 PolarHBondContact O-N 2.95Å; G526-L530 WeakPolarHBondContact O-CB 3.25Å; G526-L530 PolarHBondContact O-N 2.86Å
527	V	97.7	Very high	95.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.9	-43	173.8	174.1	0	0	0	0	111.9	I522 G523 D524 K525 V529 L530 C531 I548 M550 L558	I522-V527 HydrophobicContact CG2-CG2 4.11Å; G523-V527 WeakPolarHBondContact O-CG2 3.48Å; G523-V527 PolarHBondContact O-N 3.06Å; D524-V527 PolarHBondContact O-N 3Å; K525-V527 VanDerWaalsContact C-N 3.3Å; K525-V527 PolarHBondContact O-N 2.8Å; V527-V529 VanDerWaalsContact C-N 3.34Å; V527-V529 PolarHBondContact O-N 3.39Å; V527-L530 PolarHBondContact O-N 3.05Å; V527-C531 WeakPolarHBondContact O-CB 3.48Å; V527-C531 PolarHBondContact O-N 3.48Å; V527-C531 PolarHBondContact O-SG 3.18Å; V527-I548 HydrophobicContact CG2-CD1 3.33Å; V527-M550 HydrophobicContact CB-SD 4.48Å; V527-M550 HydrophobicContact CG1-SD 4.05Å; V527-M550 HydrophobicContact CG2-SD 3.96Å; V527-L558 HydrophobicContact CG1-CD1 4.04Å; V527-L558 HydrophobicContact CG1-CD2 4.01Å; V527-L558 HydrophobicContact CG1-CG 3.56Å
528	E	97.2	Very high	95.5	Very high	76 Å²	76	44.4 Å²	44.4	36%	0.355	22%	0.216	S	C	.	.	H	α-helix	trans	-55.9	-48.6	175.5	-169.8	-170.3	153.1	0	0	111.2	D524 K525 L530 C531 E532 A557	D524-E528 PolarHBondContact O-N 2.67Å; K525-E528 HydrophobicContact CD-CB 4.41Å; K525-E528 WeakPolarHBondContact CD-OE2 3.44Å; K525-E528 IonicContact NZ-OE1 3.29Å; K525-E528 PolarHBondContact NZ-OE1 2.71Å; K525-E528 IonicContact NZ-OE2 3.08Å; K525-E528 PolarHBondContact NZ-OE2 3.36Å; K525-E528 PolarHBondContact O-N 2.93Å; E528-L530 PolarHBondContact O-N 3.05Å; E528-C531 WeakPolarHBondContact O-CB 3.44Å; E528-C531 PolarHBondContact O-N 3.29Å; E528-E532 PolarHBondContact O-N 2.98Å; E528-E532 VanDerWaalsContact O-N 3.14Å; E528-A557 HydrophobicContact CB-CB 4.41Å
529	V	97	Very high	95.3	Very high	20 Å²	20	41.9 Å²	41.9	12%	0.121	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-41.8	176.9	174.6	0	0	0	0	111.8	I487 Q491 A494 K525 V527 C531 E532 G533	I487-V529 HydrophobicContact CG2-CG2 4.44Å; Q491-V529 HydrophobicContact CB-CG1 4Å; Q491-V529 HydrophobicContact CG-CG1 4.42Å; A494-V529 HydrophobicContact CB-CG1 4.23Å; A494-V529 WeakPolarHBondContact CB-O 3.32Å; K525-V529 WeakPolarHBondContact O-CG2 3.37Å; K525-V529 PolarHBondContact O-N 3.09Å; K525-V529 VanDerWaalsContact O-N 3.13Å; V527-V529 VanDerWaalsContact C-N 3.34Å; V527-V529 PolarHBondContact O-N 3.39Å; V529-C531 VanDerWaalsContact C-N 3.29Å; V529-C531 PolarHBondContact O-N 3.47Å; V529-E532 PolarHBondContact O-N 2.83Å; V529-G533 PolarHBondContact O-N 2.92Å
530	L	97.2	Very high	95.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-41.4	175.8	-177.9	65.7	0	0	0	111.2	M490 L493 L497 L516 G526 V527 E528 E532 G533 L534 L545	M490-L530 HydrophobicContact SD-CD1 4.32Å; M490-L530 HydrophobicContact SD-CD2 4.44Å; L493-L530 HydrophobicContact CD2-CD1 4.22Å; L493-L530 HydrophobicContact CG-CD1 4.48Å; L497-L530 HydrophobicContact CD1-CD1 3.6Å; L516-L530 HydrophobicContact CD1-CD2 3.88Å; G526-L530 WeakPolarHBondContact O-CB 3.25Å; G526-L530 PolarHBondContact O-N 2.86Å; V527-L530 PolarHBondContact O-N 3.05Å; E528-L530 PolarHBondContact O-N 3.05Å; L530-E532 PolarHBondContact O-N 3.26Å; L530-G533 PolarHBondContact O-N 2.92Å; L530-L534 HydrophobicContact CD1-CD1 4.48Å; L530-L534 HydrophobicContact CD2-CD1 4.36Å; L530-L534 HydrophobicContact CG-CD1 3.87Å; L530-L534 HydrophobicContact CG-CG 4.38Å; L530-L534 WeakPolarHBondContact O-CG 3.26Å; L530-L534 PolarHBondContact O-N 3.21Å; L530-L545 HydrophobicContact CD2-CD2 4Å
531	C	96.4	Very high	95.3	Very high	10 Å²	10	41.7 Å²	41.7	7%	0.068	20%	0.196	C	C	.	.	H	α-helix	trans	-63	-38.2	177.6	-75.7	0	0	0	0	113	V527 E528 V529 G533 L534 I535 F561	V527-C531 WeakPolarHBondContact O-CB 3.48Å; V527-C531 PolarHBondContact O-N 3.48Å; V527-C531 PolarHBondContact O-SG 3.18Å; E528-C531 WeakPolarHBondContact O-CB 3.44Å; E528-C531 PolarHBondContact O-N 3.29Å; V529-C531 VanDerWaalsContact C-N 3.29Å; V529-C531 PolarHBondContact O-N 3.47Å; C531-G533 VanDerWaalsContact C-N 3.27Å; C531-G533 PolarHBondContact O-N 3.31Å; C531-L534 PolarHBondContact O-N 2.93Å; C531-I535 PolarHBondContact O-N 3.37Å; C531-F561 HydrophobicContact CB-CB 4.02Å
532	E	93.7	Very high	95.4	Very high	122 Å²	122	39.9 Å²	39.9	57%	0.57	18%	0.184	S	C	*	.	H	α-helix	trans	-58.2	-39.5	174.8	-69.2	179.2	179	0	0	112	E528 V529 L530 I535	E528-E532 PolarHBondContact O-N 2.98Å; E528-E532 VanDerWaalsContact O-N 3.14Å; V529-E532 PolarHBondContact O-N 2.83Å; L530-E532 PolarHBondContact O-N 3.26Å; E532-I535 WeakPolarHBondContact O-CG2 3.43Å
533	G	91.7	Very high	95.4	Very high	3 Å²	3	39.8 Å²	39.8	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-73.1	-37.5	174.8	0	0	0	0	0	113.3	A494 V529 L530 C531	A494-G533 WeakPolarHBondContact O-CA 3.45Å; V529-G533 PolarHBondContact O-N 2.92Å; L530-G533 PolarHBondContact O-N 2.92Å; C531-G533 VanDerWaalsContact C-N 3.27Å; C531-G533 PolarHBondContact O-N 3.31Å
534	L	95.2	Very high	95.5	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-71.3	-27.6	-177.4	-75.2	171.8	0	0	0	113.8	L497 L530 C531 R536 N537 L540 L543 F561	L497-L534 HydrophobicContact CD1-CD2 3.78Å; L497-L534 HydrophobicContact CD1-CG 4.1Å; L497-L534 HydrophobicContact CD2-CD2 4.43Å; L530-L534 HydrophobicContact CD1-CD1 4.48Å; L530-L534 HydrophobicContact CD2-CD1 4.36Å; L530-L534 HydrophobicContact CG-CD1 3.87Å; L530-L534 HydrophobicContact CG-CG 4.38Å; L530-L534 WeakPolarHBondContact O-CG 3.26Å; L530-L534 PolarHBondContact O-N 3.21Å; C531-L534 PolarHBondContact O-N 2.93Å; L534-R536 PolarHBondContact O-N 3.23Å; L534-R536 VanDerWaalsContact O-N 3.1Å; L534-N537 HydrophobicContact CD2-CB 4.34Å; L534-N537 WeakPolarHBondContact O-CB 3.47Å; L534-N537 PolarHBondContact O-N 3.29Å; L534-L540 HydrophobicContact CD2-CD2 3.61Å; L534-L543 HydrophobicContact CD1-CD2 3.8Å; L534-F561 HydrophobicContact CB-CD2 3.88Å; L534-F561 HydrophobicContact CB-CE1 4.39Å; L534-F561 HydrophobicContact CB-CE2 3.51Å; L534-F561 HydrophobicContact CB-CG 4.47Å; L534-F561 HydrophobicContact CB-CZ 3.79Å; L534-F561 HydrophobicContact CD1-CE1 4.16Å; L534-F561 HydrophobicContact CD1-CZ 4.22Å; L534-F561 HydrophobicContact CG-CZ 4.47Å; L534-F561 WeakPolarHBondContact O-CE2 3.37Å
535	I	92.1	Very high	95.6	Very high	72 Å²	72	39.4 Å²	39.4	37%	0.369	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-27	-177.3	-150.8	168	0	0	0	112.9	C531 E532 E564	C531-I535 PolarHBondContact O-N 3.37Å; E532-I535 WeakPolarHBondContact O-CG2 3.43Å; I535-E564 VanDerWaalsContact CD1-OE2 3.31Å; I535-E564 WeakPolarHBondContact CD1-OE2 3.32Å; I535-E564 HydrophobicContact CG1-CB 4.39Å
536	R	87.6	Confident	95.6	Very high	156 Å²	156	38.6 Å²	38.6	59%	0.589	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-3.3	177.1	-63.7	179	-179.4	-158.5	0.2	113.5	M498 P501 L534 Y538	M498-R536 HydrophobicContact CG-CB 4.3Å; P501-R536 WeakPolarHBondContact CA-O 3.24Å; L534-R536 PolarHBondContact O-N 3.23Å; L534-R536 VanDerWaalsContact O-N 3.1Å; R536-Y538 WeakPolarHBondContact O-CD2 3.39Å
537	N	93.5	Very high	95.6	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.027	18%	0.181	C	C	.	.			trans	-82.1	135.6	-177.1	-175	-79.1	0	0	0	110.9	L497 T500 L534 S539 L540 C567	L497-N537 PolarHBondContact O-ND2 2.98Å; T500-N537 PolarHBondContact OG1-ND2 3.26Å; L534-N537 HydrophobicContact CD2-CB 4.34Å; L534-N537 WeakPolarHBondContact O-CB 3.47Å; L534-N537 PolarHBondContact O-N 3.29Å; N537-S539 PolarHBondContact ND2-OG 2.81Å; N537-S539 VanDerWaalsContact ND2-OG 3.13Å; N537-S539 PolarHBondContact OD1-N 3.01Å; N537-S539 PolarHBondContact OD1-OG 3.23Å; N537-L540 VanDerWaalsContact OD1-CB 3.3Å; N537-L540 WeakPolarHBondContact OD1-CB 3.42Å; N537-L540 PolarHBondContact OD1-N 3.41Å; N537-C567 PolarHBondContact O-SG 3.09Å
538	Y	93.4	Very high	95.6	Very high	77 Å²	77	40.1 Å²	40.1	30%	0.302	18%	0.181	S	C	.	.			trans	-119.4	-3.6	175.1	-78.3	-100.1	0	0	0	113.6	T500 K502 R536 K541 K566 C567	T500-Y538 PolarHBondContact O-N 2.59Å; K502-Y538 HydrophobicContact CB-CD1 3.71Å; K502-Y538 HydrophobicContact CB-CD2 3.78Å; K502-Y538 HydrophobicContact CB-CE1 3.85Å; K502-Y538 HydrophobicContact CB-CE2 3.94Å; K502-Y538 HydrophobicContact CB-CG 3.66Å; K502-Y538 HydrophobicContact CD-CD1 4.17Å; K502-Y538 HydrophobicContact CD-CE1 3.88Å; K502-Y538 HydrophobicContact CG-CD1 3.98Å; K502-Y538 HydrophobicContact CG-CE1 4.16Å; K502-Y538 HydrophobicContact CG-CG 4.35Å; R536-Y538 WeakPolarHBondContact O-CD2 3.39Å; Y538-K541 PolarHBondContact O-NZ 3.44Å; Y538-K541 VanDerWaalsContact O-NZ 3.16Å; Y538-K566 HydrophobicContact CE1-CB 3.99Å; Y538-K566 HydrophobicContact CE1-CG 4.43Å; Y538-C567 WeakPolarHBondContact O-CB 3.44Å
539	S	94.2	Very high	95.5	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.028	19%	0.191	C	C	.	.	S	Bend	trans	-88.4	-44.3	-174.7	52.8	0	0	0	0	112.9	T500 L511 N537 K541	T500-S539 PolarHBondContact OG1-OG 2.97Å; L511-S539 CarbonylContact O-C 3.58Å; L511-S539 VanDerWaalsContact O-C 3.22Å; L511-S539 WeakPolarHBondContact O-CB 3.41Å; L511-S539 PolarHBondContact O-OG 2.74Å; N537-S539 PolarHBondContact ND2-OG 2.81Å; N537-S539 VanDerWaalsContact ND2-OG 3.13Å; N537-S539 PolarHBondContact OD1-N 3.01Å; N537-S539 PolarHBondContact OD1-OG 3.23Å; S539-K541 PolarHBondContact O-N 2.99Å
540	L	96.5	Very high	95.4	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	19%	0.186	C	C	.	.			trans	-69	125.9	-171.9	-161.4	73.8	0	0	0	111.3	L511 I512 L514 L534 N537 L543 C567 L568	L511-L540 HydrophobicContact CB-CD1 4.17Å; L511-L540 VanDerWaalsContact O-CA 3.25Å; L511-L540 WeakPolarHBondContact O-CA 3.24Å; L511-L540 PolarHBondContact O-N 2.73Å; L511-L540 VanDerWaalsContact O-N 3.17Å; I512-L540 WeakPolarHBondContact O-CD1 3.23Å; L514-L540 HydrophobicContact CB-CD1 3.63Å; L514-L540 HydrophobicContact CB-CD2 4.27Å; L514-L540 HydrophobicContact CD2-CD2 4.46Å; L534-L540 HydrophobicContact CD2-CD2 3.61Å; N537-L540 VanDerWaalsContact OD1-CB 3.3Å; N537-L540 WeakPolarHBondContact OD1-CB 3.42Å; N537-L540 PolarHBondContact OD1-N 3.41Å; L540-L543 HydrophobicContact CD2-CB 4.14Å; L540-L543 HydrophobicContact CD2-CD1 4.22Å; L540-C567 PolarHBondContact O-SG 3.32Å; L540-C567 VanDerWaalsContact O-SG 3.35Å; L540-L568 HydrophobicContact CD2-CD1 4.46Å; L540-L568 HydrophobicContact CG-CD1 4.42Å
541	K	96.8	Very high	95.3	Very high	73 Å²	73	42.6 Å²	42.6	32%	0.317	20%	0.199	S	C	.	.			trans	-111.5	-32.6	-179.9	-55.5	-52.8	-178.2	-162.7	0	112	I512 Y538 S539 C567 L568 K569 Y570	I512-K541 HydrophobicContact CG2-CB 3.98Å; I512-K541 HydrophobicContact CG2-CG 3.85Å; I512-K541 PolarHBondContact O-N 3.14Å; Y538-K541 PolarHBondContact O-NZ 3.44Å; Y538-K541 VanDerWaalsContact O-NZ 3.16Å; S539-K541 PolarHBondContact O-N 2.99Å; K541-C567 WeakPolarHBondContact CD-O 3Å; K541-L568 WeakPolarHBondContact O-CD1 3.44Å; K541-K569 PolarHBondContact O-N 3.4Å; K541-Y570 PolarHBondContact O-N 3.24Å
542	E	98.3	Very high	95.2	Very high	59 Å²	59	45.9 Å²	45.9	28%	0.276	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	129	179.7	-47.2	-168.1	-175.7	0	0	111.3	I512 I513 L514 Y544 Y570	I512-E542 PolarHBondContact O-N 3.15Å; I513-E542 HydrophobicContact CB-CB 4.49Å; I513-E542 HydrophobicContact CG1-CB 4.1Å; I513-E542 HydrophobicContact CG1-CG 4.1Å; I513-E542 HydrophobicContact CG2-CB 4.3Å; L514-E542 PolarHBondContact N-O 2.93Å; E542-Y544 HydrophobicContact CB-CE2 3.81Å; E542-Y544 PolarHBondContact OE2-OH 3.44Å; E542-Y570 WeakPolarHBondContact CA-O 3.35Å; E542-Y570 HydrophobicContact CB-CD1 4.45Å
543	L	98.3	Very high	95.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.8	178.3	179.1	59.9	0	0	0	110.1	L514 L534 L540 L545 L568 Y570 L571 D572	L514-L543 HydrophobicContact CB-CD1 4.29Å; L514-L543 HydrophobicContact CD2-CD1 4.05Å; L514-L543 HydrophobicContact CG-CD1 4.19Å; L514-L543 WeakPolarHBondContact O-CA 3.33Å; L534-L543 HydrophobicContact CD1-CD2 3.8Å; L540-L543 HydrophobicContact CD2-CB 4.14Å; L540-L543 HydrophobicContact CD2-CD1 4.22Å; L543-L545 HydrophobicContact CD1-CD2 4.11Å; L543-L545 HydrophobicContact CD1-CG 4.24Å; L543-L545 HydrophobicContact CD2-CD1 3.93Å; L543-L545 HydrophobicContact CD2-CG 4.25Å; L543-L545 HydrophobicContact CG-CD1 4.19Å; L543-L545 HydrophobicContact CG-CD2 4.36Å; L543-L545 HydrophobicContact CG-CG 3.96Å; L543-L568 HydrophobicContact CB-CD1 3.91Å; L543-L568 HydrophobicContact CB-CD2 4.42Å; L543-Y570 PolarHBondContact N-O 3.07Å; L543-L571 HydrophobicContact CB-CD1 4.19Å; L543-L571 HydrophobicContact CD2-CD1 4.23Å; L543-L571 HydrophobicContact CG-CD1 4.19Å; L543-L571 WeakPolarHBondContact O-CA 3.35Å; L543-D572 PolarHBondContact O-N 3.22Å
544	Y	98.6	Very high	95.5	Very high	45 Å²	45	43.2 Å²	43.2	18%	0.176	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.9	178.4	-57.7	-106.8	0	0	0	109.7	I513 L514 D515 L516 E542 Y570 D572	I513-Y544 HydrophobicContact CG2-CD2 4.5Å; I513-Y544 HydrophobicContact CG2-CE2 4.02Å; L514-Y544 PolarHBondContact O-N 3.34Å; D515-Y544 HydrophobicContact CB-CD2 4.23Å; D515-Y544 HydrophobicContact CB-CG 4.37Å; D515-Y544 VanDerWaalsContact OD1-CB 3.27Å; D515-Y544 WeakPolarHBondContact OD1-CB 3.5Å; L516-Y544 PolarHBondContact N-O 2.92Å; E542-Y544 HydrophobicContact CB-CE2 3.81Å; E542-Y544 PolarHBondContact OE2-OH 3.44Å; Y544-Y570 AromaticContact CD1-CE1 3.96Å; Y544-Y570 HydrophobicContact CD1-CE1 3.96Å; Y544-Y570 HydrophobicContact CE1-CD1 4.11Å; Y544-Y570 AromaticContact CE1-CE1 3.34Å; Y544-Y570 HydrophobicContact CE1-CE1 3.34Å; Y544-Y570 HydrophobicContact CE2-CD1 4.31Å; Y544-Y570 HydrophobicContact CE2-CE1 4.33Å; Y544-Y570 AromaticContact CZ-CD1 3.86Å; Y544-Y570 AromaticContact CZ-CE1 3.54Å; Y544-D572 HydrophobicContact CD1-CB 3.72Å; Y544-D572 HydrophobicContact CE1-CB 4.4Å; Y544-D572 HydrophobicContact CG-CB 4.33Å
545	L	97.9	Very high	95.6	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.205	C	C	.	.			trans	-126.1	37.2	-177.7	-63.8	177	0	0	0	110.2	L516 L530 L543 I548 L558 L571 D572 I573 N576	L516-L545 HydrophobicContact CB-CD2 4.15Å; L516-L545 HydrophobicContact CD1-CD2 4.06Å; L530-L545 HydrophobicContact CD2-CD2 4Å; L543-L545 HydrophobicContact CD1-CD2 4.11Å; L543-L545 HydrophobicContact CD1-CG 4.24Å; L543-L545 HydrophobicContact CD2-CD1 3.93Å; L543-L545 HydrophobicContact CD2-CG 4.25Å; L543-L545 HydrophobicContact CG-CD1 4.19Å; L543-L545 HydrophobicContact CG-CD2 4.36Å; L543-L545 HydrophobicContact CG-CG 3.96Å; L545-I548 HydrophobicContact CB-CD1 3.81Å; L545-I548 HydrophobicContact CB-CG1 4.37Å; L545-I548 HydrophobicContact CD1-CD1 4.43Å; L545-I548 HydrophobicContact CD2-CD1 4.02Å; L545-I548 HydrophobicContact CG-CD1 4.29Å; L545-L558 HydrophobicContact CD1-CD1 3.83Å; L545-L558 HydrophobicContact CD1-CD2 3.85Å; L545-L558 HydrophobicContact CD1-CG 4.44Å; L545-L571 HydrophobicContact CD1-CD1 4.41Å; L545-D572 CarbonylContact C-O 3.59Å; L545-D572 WeakPolarHBondContact CA-O 3.31Å; L545-D572 PolarHBondContact N-O 3.46Å; L545-I573 HydrophobicContact CB-CG2 4.47Å; L545-N576 PolarHBondContact O-ND2 3.28Å
546	R	97.2	Very high	95.8	Very high	85 Å²	85	45 Å²	45	32%	0.321	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	134.4	-179.2	176.9	178.9	-174.3	-178.8	3.1	110.2	S517 N518 I548 R574 N575	S517-R546 CarbonylContact C-O 3.58Å; S517-R546 WeakPolarHBondContact CA-O 3.48Å; S517-R546 PolarHBondContact OG-N 3.09Å; N518-R546 PolarHBondContact N-O 3.22Å; R546-I548 PolarHBondContact O-N 3.06Å; R546-R574 CarbonylContact C-O 3.59Å; R546-R574 WeakPolarHBondContact CA-O 3.36Å; R546-R574 HydrophobicContact CG-CB 4Å; R546-R574 WeakPolarHBondContact CG-O 3.44Å; R546-N575 HydrophobicContact CG-CB 4.17Å; R546-N575 PolarHBondContact NE-ND2 3.04Å; R546-N575 PolarHBondContact NH2-ND2 3.5Å
547	S	96.5	Very high	96.2	Very high	32 Å²	32	38.3 Å²	38.3	22%	0.224	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	46.5	171.8	-162.5	0	0	0	0	114.7	N518 R574 N575	N518-S547 WeakPolarHBondContact CA-O 3.48Å; N518-S547 VanDerWaalsContact OD1-CB 3.32Å; N518-S547 WeakPolarHBondContact OD1-CB 3.32Å; S547-R574 PolarHBondContact N-O 2.98Å; S547-N575 WeakPolarHBondContact CA-O 3.4Å
548	I	97.3	Very high	96.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-103.5	13.8	179.5	64.9	162.7	0	0	0	113.4	I522 G523 V527 L545 R546 M550 N576	I522-I548 HydrophobicContact CB-CB 4.36Å; I522-I548 HydrophobicContact CD1-CG2 4.3Å; I522-I548 HydrophobicContact CG2-CD1 4.2Å; G523-I548 WeakPolarHBondContact CA-O 3.24Å; G523-I548 PolarHBondContact N-O 3.08Å; G523-I548 VanDerWaalsContact N-O 3.08Å; V527-I548 HydrophobicContact CG2-CD1 3.33Å; L545-I548 HydrophobicContact CB-CD1 3.81Å; L545-I548 HydrophobicContact CB-CG1 4.37Å; L545-I548 HydrophobicContact CD1-CD1 4.43Å; L545-I548 HydrophobicContact CD2-CD1 4.02Å; L545-I548 HydrophobicContact CG-CD1 4.29Å; R546-I548 PolarHBondContact O-N 3.06Å; I548-M550 HydrophobicContact CD1-CB 4.22Å; I548-M550 HydrophobicContact CG1-CB 3.96Å; I548-M550 PolarHBondContact O-N 3.45Å; I548-N576 WeakPolarHBondContact CG1-OD1 3.25Å; I548-N576 PolarHBondContact N-OD1 3.21Å; I548-N576 VanDerWaalsContact N-OD1 3.12Å
549	N	95.5	Very high	96.5	Very high	108 Å²	108	34.7 Å²	34.7	58%	0.578	18%	0.176	S	C	*	.			trans	60.1	39.3	-176	-163.3	34.7	0	0	0	114.2	V520 N576	V520-N549 HydrophobicContact CG1-CB 3.84Å; V520-N549 WeakPolarHBondContact O-CB 3.47Å; N549-N576 PolarHBondContact N-OD1 3.18Å
550	M	95.4	Very high	96.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.192	C	C	.	.			trans	-84	138	176.7	-177.3	172	52.8	0	0	111.1	D524 V527 I548 G554 I555 L558 I573 N576 N577	D524-M550 WeakPolarHBondContact OD1-CA 3.21Å; V527-M550 HydrophobicContact CB-SD 4.48Å; V527-M550 HydrophobicContact CG1-SD 4.05Å; V527-M550 HydrophobicContact CG2-SD 3.96Å; I548-M550 HydrophobicContact CD1-CB 4.22Å; I548-M550 HydrophobicContact CG1-CB 3.96Å; I548-M550 PolarHBondContact O-N 3.45Å; M550-G554 VanDerWaalsContact SD-C 3.53Å; M550-I555 HydrophobicContact CE-CD1 4.45Å; M550-I555 HydrophobicContact CE-CG1 3.78Å; M550-I555 HydrophobicContact CG-CG1 4.01Å; M550-I555 HydrophobicContact SD-CG1 3.83Å; M550-L558 HydrophobicContact CE-CD1 3.66Å; M550-L558 HydrophobicContact SD-CD1 3.41Å; M550-L558 WeakPolarHBondContact SD-CD1 3.49Å; M550-L558 HydrophobicContact SD-CG 4.35Å; M550-I573 HydrophobicContact CE-CB 4.08Å; M550-I573 HydrophobicContact CE-CG2 3.9Å; M550-N576 HydrophobicContact CB-CB 4.11Å; M550-N576 WeakPolarHBondContact CB-OD1 3.49Å; M550-N576 HydrophobicContact CE-CB 4.3Å; M550-N576 PolarHBondContact N-OD1 2.92Å; M550-N576 VanDerWaalsContact N-OD1 3.12Å; M550-N577 WeakPolarHBondContact O-CB 3.31Å; M550-N577 PolarHBondContact O-N 2.97Å
551	S	94.8	Very high	96.3	Very high	39 Å²	39	37.2 Å²	37.2	27%	0.273	19%	0.193	S	C	.	.			trans	-109.1	-168.6	173.5	86.2	0	0	0	0	111.1	D524 S553 G554 I555	D524-S551 PolarHBondContact OD1-N 2.82Å; D524-S551 PolarHBondContact OD1-OG 3.13Å; D524-S551 WeakPolarHBondContact OD2-CB 3.43Å; D524-S551 PolarHBondContact OD2-OG 2.82Å; S551-S553 PolarHBondContact O-N 3.36Å; S551-S553 PolarHBondContact OG-N 3.47Å; S551-G554 PolarHBondContact O-N 2.63Å; S551-I555 PolarHBondContact O-N 3.28Å; S551-I555 VanDerWaalsContact O-N 3.15Å
552	F	94.5	Very high	96.3	Very high	79 Å²	79	33.8 Å²	33.8	35%	0.346	18%	0.178	S	C	.	.	H	α-helix	trans	-50	-40.4	172.1	168.4	-104.1	0	0	0	113	G554 I555 F556 A581 S582	F552-G554 PolarHBondContact O-N 3.49Å; F552-I555 PolarHBondContact O-N 2.97Å; F552-F556 HydrophobicContact CE1-CB 4.5Å; F552-F556 HydrophobicContact CE2-CB 4.39Å; F552-F556 HydrophobicContact CZ-CB 4.2Å; F552-F556 HydrophobicContact CZ-CD2 4.08Å; F552-F556 HydrophobicContact CZ-CG 4.39Å; F552-F556 WeakPolarHBondContact O-CB 3.27Å; F552-F556 PolarHBondContact O-N 3.05Å; F552-A581 HydrophobicContact CD2-CB 3.57Å; F552-A581 HydrophobicContact CE2-CB 3.58Å; F552-A581 HydrophobicContact CG-CB 4.32Å; F552-A581 HydrophobicContact CZ-CB 4.34Å; F552-S582 WeakPolarHBondContact CA-OG 3.4Å
553	S	96.1	Very high	96	Very high	67 Å²	67	32.8 Å²	32.8	47%	0.469	18%	0.177	S	C	.	.	H	α-helix	trans	-62.7	-45.7	-176.3	-168.5	0	0	0	0	112.1	S551 F556 A557	S551-S553 PolarHBondContact O-N 3.36Å; S551-S553 PolarHBondContact OG-N 3.47Å; S553-F556 PolarHBondContact O-N 3.32Å; S553-A557 PolarHBondContact O-N 3.24Å; S553-A557 VanDerWaalsContact O-N 3.08Å
554	G	96.2	Very high	95.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-70	-33.1	177	0	0	0	0	0	112.7	D524 M550 S551 F552 A557 L558	D524-G554 WeakPolarHBondContact OD1-CA 3.43Å; D524-G554 PolarHBondContact OD1-N 3.29Å; M550-G554 VanDerWaalsContact SD-C 3.53Å; S551-G554 PolarHBondContact O-N 2.63Å; F552-G554 PolarHBondContact O-N 3.49Å; G554-A557 PolarHBondContact O-N 2.7Å; G554-L558 PolarHBondContact O-N 2.88Å
555	I	96.5	Very high	95.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.8	-36.8	174.4	-67.3	172.4	0	0	0	111.5	M550 S551 F552 A557 L558 S559 L578 L586	M550-I555 HydrophobicContact CE-CD1 4.45Å; M550-I555 HydrophobicContact CE-CG1 3.78Å; M550-I555 HydrophobicContact CG-CG1 4.01Å; M550-I555 HydrophobicContact SD-CG1 3.83Å; S551-I555 PolarHBondContact O-N 3.28Å; S551-I555 VanDerWaalsContact O-N 3.15Å; F552-I555 PolarHBondContact O-N 2.97Å; I555-A557 VanDerWaalsContact C-N 3.35Å; I555-L558 PolarHBondContact O-N 2.9Å; I555-S559 VanDerWaalsContact O-CB 3.24Å; I555-S559 WeakPolarHBondContact O-CB 3.36Å; I555-S559 PolarHBondContact O-N 3.09Å; I555-S559 PolarHBondContact O-OG 3.36Å; I555-L578 HydrophobicContact CD1-CD2 3.13Å; I555-L586 HydrophobicContact CG2-CD1 4.08Å; I555-L586 HydrophobicContact CG2-CD2 4.19Å; I555-L586 HydrophobicContact CG2-CG 3.89Å
556	F	96.6	Very high	94.7	Very high	112 Å²	112	42.9 Å²	42.9	49%	0.491	23%	0.225	S	C	.	.	H	α-helix	trans	-64.2	-41.4	173.9	-176	-94.3	0	0	0	111.3	F552 S553 S559 S560	F552-F556 HydrophobicContact CE1-CB 4.5Å; F552-F556 HydrophobicContact CE2-CB 4.39Å; F552-F556 HydrophobicContact CZ-CB 4.2Å; F552-F556 HydrophobicContact CZ-CD2 4.08Å; F552-F556 HydrophobicContact CZ-CG 4.39Å; F552-F556 WeakPolarHBondContact O-CB 3.27Å; F552-F556 PolarHBondContact O-N 3.05Å; S553-F556 PolarHBondContact O-N 3.32Å; F556-S559 PolarHBondContact O-N 3.05Å; F556-S560 PolarHBondContact O-N 3.39Å; F556-S560 PolarHBondContact O-OG 3.34Å
557	A	96.3	Very high	94.5	Very high	17 Å²	17	39.2 Å²	39.2	14%	0.14	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-48.3	172.3	0	0	0	0	0	111.8	E528 S553 G554 I555 S559 S560 F561	E528-A557 HydrophobicContact CB-CB 4.41Å; S553-A557 PolarHBondContact O-N 3.24Å; S553-A557 VanDerWaalsContact O-N 3.08Å; G554-A557 PolarHBondContact O-N 2.7Å; I555-A557 VanDerWaalsContact C-N 3.35Å; A557-S559 VanDerWaalsContact C-N 3.3Å; A557-S559 PolarHBondContact O-N 3.25Å; A557-S560 PolarHBondContact O-N 3.31Å; A557-F561 PolarHBondContact O-N 2.93Å
558	L	96.7	Very high	94.4	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-58.5	-41.6	173.5	-78.6	171.2	0	0	0	112.2	V527 L545 M550 G554 I555 S560 F561 L562 I573	V527-L558 HydrophobicContact CG1-CD1 4.04Å; V527-L558 HydrophobicContact CG1-CD2 4.01Å; V527-L558 HydrophobicContact CG1-CG 3.56Å; L545-L558 HydrophobicContact CD1-CD1 3.83Å; L545-L558 HydrophobicContact CD1-CD2 3.85Å; L545-L558 HydrophobicContact CD1-CG 4.44Å; M550-L558 HydrophobicContact CE-CD1 3.66Å; M550-L558 HydrophobicContact SD-CD1 3.41Å; M550-L558 WeakPolarHBondContact SD-CD1 3.49Å; M550-L558 HydrophobicContact SD-CG 4.35Å; G554-L558 PolarHBondContact O-N 2.88Å; I555-L558 PolarHBondContact O-N 2.9Å; L558-S560 VanDerWaalsContact C-N 3.3Å; L558-S560 PolarHBondContact O-N 3.2Å; L558-F561 PolarHBondContact O-N 3.35Å; L558-L562 VanDerWaalsContact O-CB 3.29Å; L558-L562 WeakPolarHBondContact O-CB 3.4Å; L558-L562 WeakPolarHBondContact O-CG 3.29Å; L558-L562 PolarHBondContact O-N 3.31Å; L558-I573 HydrophobicContact CD1-CG2 4.17Å
559	S	95.5	Very high	94.4	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.028	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-35.8	179.5	-63.1	0	0	0	0	111.6	I555 F556 A557 L562 S563 T589	I555-S559 VanDerWaalsContact O-CB 3.24Å; I555-S559 WeakPolarHBondContact O-CB 3.36Å; I555-S559 PolarHBondContact O-N 3.09Å; I555-S559 PolarHBondContact O-OG 3.36Å; F556-S559 PolarHBondContact O-N 3.05Å; A557-S559 VanDerWaalsContact C-N 3.3Å; A557-S559 PolarHBondContact O-N 3.25Å; S559-L562 PolarHBondContact O-N 2.96Å; S559-S563 PolarHBondContact O-N 2.79Å; S559-S563 VanDerWaalsContact O-N 3.14Å; S559-S563 PolarHBondContact O-OG 2.94Å; S559-T589 WeakPolarHBondContact CB-OG1 3.32Å; S559-T589 WeakPolarHBondContact O-CG2 3.43Å; S559-T589 PolarHBondContact O-OG1 3.39Å; S559-T589 VanDerWaalsContact O-OG1 3.05Å
560	S	94.2	Very high	94.5	Very high	51 Å²	51	38.1 Å²	38.1	36%	0.357	20%	0.197	S	C	.	.	H	α-helix	trans	-69.7	-42.9	176.3	-55.8	0	0	0	0	111	F556 A557 L558 S563	F556-S560 PolarHBondContact O-N 3.39Å; F556-S560 PolarHBondContact O-OG 3.34Å; A557-S560 PolarHBondContact O-N 3.31Å; L558-S560 VanDerWaalsContact C-N 3.3Å; L558-S560 PolarHBondContact O-N 3.2Å; S560-S563 PolarHBondContact O-OG 3.47Å
561	F	94	Very high	94.6	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-46.2	170.9	153.8	-109.4	0	0	0	112.2	C531 L534 A557 L558 S563 E564 S565 L568	C531-F561 HydrophobicContact CB-CB 4.02Å; L534-F561 HydrophobicContact CB-CD2 3.88Å; L534-F561 HydrophobicContact CB-CE1 4.39Å; L534-F561 HydrophobicContact CB-CE2 3.51Å; L534-F561 HydrophobicContact CB-CG 4.47Å; L534-F561 HydrophobicContact CB-CZ 3.79Å; L534-F561 HydrophobicContact CD1-CE1 4.16Å; L534-F561 HydrophobicContact CD1-CZ 4.22Å; L534-F561 HydrophobicContact CG-CZ 4.47Å; L534-F561 WeakPolarHBondContact O-CE2 3.37Å; A557-F561 PolarHBondContact O-N 2.93Å; L558-F561 PolarHBondContact O-N 3.35Å; F561-S563 VanDerWaalsContact C-N 3.28Å; F561-S563 PolarHBondContact O-N 3.09Å; F561-E564 PolarHBondContact O-N 3.36Å; F561-S565 WeakPolarHBondContact CZ-OG 3.34Å; F561-S565 PolarHBondContact O-N 3.46Å; F561-L568 HydrophobicContact CE1-CD2 4.1Å
562	L	95.6	Very high	94.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-63.8	-30.8	-176.8	-79.1	172.7	0	0	0	112.5	L558 S559 E564 L568 L571 L586 T589 N593 L596	L558-L562 VanDerWaalsContact O-CB 3.29Å; L558-L562 WeakPolarHBondContact O-CB 3.4Å; L558-L562 WeakPolarHBondContact O-CG 3.29Å; L558-L562 PolarHBondContact O-N 3.31Å; S559-L562 PolarHBondContact O-N 2.96Å; L562-E564 PolarHBondContact O-N 3.14Å; L562-L568 HydrophobicContact CD2-CD2 3.94Å; L562-L571 HydrophobicContact CD1-CD2 3.8Å; L562-L571 HydrophobicContact CD2-CD2 4.39Å; L562-L586 HydrophobicContact CD1-CD2 4.4Å; L562-T589 HydrophobicContact CB-CG2 3.56Å; L562-N593 PolarHBondContact O-ND2 2.81Å; L562-L596 HydrophobicContact CD2-CD1 4.43Å; L562-L596 HydrophobicContact CD2-CD2 4.46Å
563	S	93.3	Very high	94.9	Very high	37 Å²	37	32.8 Å²	32.8	26%	0.259	17%	0.169	S	C	.	.	H	α-helix	trans	-63	-29.8	174.1	38.5	0	0	0	0	112.7	S559 S560 F561	S559-S563 PolarHBondContact O-N 2.79Å; S559-S563 VanDerWaalsContact O-N 3.14Å; S559-S563 PolarHBondContact O-OG 2.94Å; S560-S563 PolarHBondContact O-OG 3.47Å; F561-S563 VanDerWaalsContact C-N 3.28Å; F561-S563 PolarHBondContact O-N 3.09Å
564	E	89.9	Confident	94.9	Very high	115 Å²	115	33.1 Å²	33.1	54%	0.537	16%	0.16	S	C	.	.	H	α-helix	trans	-95.8	-29.1	-179.8	-64.1	-169.2	-157.1	0	0	113.1	I535 F561 L562 K566	I535-E564 VanDerWaalsContact CD1-OE2 3.31Å; I535-E564 WeakPolarHBondContact CD1-OE2 3.32Å; I535-E564 HydrophobicContact CG1-CB 4.39Å; F561-E564 PolarHBondContact O-N 3.36Å; L562-E564 PolarHBondContact O-N 3.14Å; E564-K566 WeakPolarHBondContact O-CD 3.39Å; E564-K566 VanDerWaalsContact O-CE 3.27Å; E564-K566 WeakPolarHBondContact O-CE 3.46Å; E564-K566 WeakPolarHBondContact O-CG 3.36Å; E564-K566 PolarHBondContact O-N 3.4Å
565	S	90.5	Very high	94.8	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.042	18%	0.176	C	C	.	.			trans	-52.9	130.6	-176	-171.3	0	0	0	0	112.5	F561 N593 T595	F561-S565 WeakPolarHBondContact CZ-OG 3.34Å; F561-S565 PolarHBondContact O-N 3.46Å; S565-N593 PolarHBondContact O-ND2 2.9Å; S565-T595 PolarHBondContact O-OG1 2.97Å
566	K	87	Confident	94.7	Very high	137 Å²	137	37 Å²	37	60%	0.596	18%	0.181	S	C	*	.	S	Bend	trans	-110.7	-0.9	179.1	-55.8	-55.3	179.5	-164.2	0	113.9	Y538 E564	Y538-K566 HydrophobicContact CE1-CB 3.99Å; Y538-K566 HydrophobicContact CE1-CG 4.43Å; E564-K566 WeakPolarHBondContact O-CD 3.39Å; E564-K566 VanDerWaalsContact O-CE 3.27Å; E564-K566 WeakPolarHBondContact O-CE 3.46Å; E564-K566 WeakPolarHBondContact O-CG 3.36Å; E564-K566 PolarHBondContact O-N 3.4Å
567	C	91.5	Very high	94.5	Very high	7 Å²	7	37.6 Å²	37.6	5%	0.047	19%	0.189	C	C	.	.	S	Bend	trans	-127.9	-30.5	-169.5	62.6	0	0	0	0	114.9	N537 Y538 L540 K541 K569	N537-C567 PolarHBondContact O-SG 3.09Å; Y538-C567 WeakPolarHBondContact O-CB 3.44Å; L540-C567 PolarHBondContact O-SG 3.32Å; L540-C567 VanDerWaalsContact O-SG 3.35Å; K541-C567 WeakPolarHBondContact CD-O 3Å; C567-K569 PolarHBondContact O-N 2.89Å
568	L	96.1	Very high	94.2	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	19%	0.185	C	C	.	.			trans	-68.5	130.5	-174	-163.6	73.1	0	0	0	110.4	L540 K541 L543 F561 L562 L571 T595 L596	L540-L568 HydrophobicContact CD2-CD1 4.46Å; L540-L568 HydrophobicContact CG-CD1 4.42Å; K541-L568 WeakPolarHBondContact O-CD1 3.44Å; L543-L568 HydrophobicContact CB-CD1 3.91Å; L543-L568 HydrophobicContact CB-CD2 4.42Å; F561-L568 HydrophobicContact CE1-CD2 4.1Å; L562-L568 HydrophobicContact CD2-CD2 3.94Å; L568-L571 HydrophobicContact CD2-CB 4.25Å; L568-T595 CarbonylContact O-C 3.59Å; L568-T595 PolarHBondContact O-OG1 3.42Å; L568-L596 HydrophobicContact CB-CD1 4.47Å; L568-L596 HydrophobicContact CD2-CD1 4.08Å; L568-L596 HydrophobicContact CG-CD1 4.07Å; L568-L596 WeakPolarHBondContact O-CA 3.32Å; L568-L596 PolarHBondContact O-N 2.82Å
569	K	96.3	Very high	93.9	Very high	64 Å²	64	40.1 Å²	40.1	28%	0.278	20%	0.2	S	C	.	.			trans	-110.2	-39.6	-177.9	-66.7	-54.8	-166.5	169.2	0	112	K541 C567 T595 L596 T597 S598 T639	K541-K569 PolarHBondContact O-N 3.4Å; C567-K569 PolarHBondContact O-N 2.89Å; K569-T595 WeakPolarHBondContact CD-O 3.5Å; K569-T595 PolarHBondContact NZ-O 3.32Å; K569-L596 WeakPolarHBondContact O-CD1 3.46Å; K569-T597 HydrophobicContact CD-CG2 4.26Å; K569-T597 PolarHBondContact O-N 2.95Å; K569-T597 PolarHBondContact O-OG1 3.26Å; K569-T597 VanDerWaalsContact O-OG1 3.1Å; K569-S598 PolarHBondContact O-N 3.47Å; K569-T639 PolarHBondContact NZ-OG1 3.35Å
570	Y	98	Very high	93.7	Very high	51 Å²	51	42 Å²	42	20%	0.2	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.3	-176.7	-174.3	-80.1	0	0	0	111	K541 E542 L543 Y544 D572 S598 V600	K541-Y570 PolarHBondContact O-N 3.24Å; E542-Y570 WeakPolarHBondContact CA-O 3.35Å; E542-Y570 HydrophobicContact CB-CD1 4.45Å; L543-Y570 PolarHBondContact N-O 3.07Å; Y544-Y570 AromaticContact CD1-CE1 3.96Å; Y544-Y570 HydrophobicContact CD1-CE1 3.96Å; Y544-Y570 HydrophobicContact CE1-CD1 4.11Å; Y544-Y570 AromaticContact CE1-CE1 3.34Å; Y544-Y570 HydrophobicContact CE1-CE1 3.34Å; Y544-Y570 HydrophobicContact CE2-CD1 4.31Å; Y544-Y570 HydrophobicContact CE2-CE1 4.33Å; Y544-Y570 AromaticContact CZ-CD1 3.86Å; Y544-Y570 AromaticContact CZ-CE1 3.54Å; Y570-D572 HydrophobicContact CE1-CB 3.93Å; Y570-S598 WeakPolarHBondContact CA-O 3.4Å; Y570-S598 VanDerWaalsContact CD2-CB 3.45Å; Y570-S598 WeakPolarHBondContact CD2-OG 3.3Å; Y570-S598 WeakPolarHBondContact CE2-OG 3.31Å; Y570-V600 HydrophobicContact CE2-CG2 3.96Å; Y570-V600 VanDerWaalsContact OH-CG2 3.24Å; Y570-V600 WeakPolarHBondContact OH-CG2 3.15Å
571	L	97.8	Very high	93.6	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127.2	175.4	177.7	60.2	0	0	0	110.4	L543 L545 L562 L568 I573 L596 S598 L599 V600	L543-L571 HydrophobicContact CB-CD1 4.19Å; L543-L571 HydrophobicContact CD2-CD1 4.23Å; L543-L571 HydrophobicContact CG-CD1 4.19Å; L543-L571 WeakPolarHBondContact O-CA 3.35Å; L545-L571 HydrophobicContact CD1-CD1 4.41Å; L562-L571 HydrophobicContact CD1-CD2 3.8Å; L562-L571 HydrophobicContact CD2-CD2 4.39Å; L568-L571 HydrophobicContact CD2-CB 4.25Å; L571-I573 HydrophobicContact CD1-CG2 3.95Å; L571-I573 HydrophobicContact CD2-CG2 4.18Å; L571-I573 HydrophobicContact CG-CG2 3.9Å; L571-L596 HydrophobicContact CB-CD1 3.93Å; L571-L596 HydrophobicContact CB-CD2 4.36Å; L571-S598 PolarHBondContact N-O 2.93Å; L571-L599 HydrophobicContact CB-CD1 4.08Å; L571-L599 HydrophobicContact CD2-CD1 3.93Å; L571-L599 HydrophobicContact CG-CD1 3.93Å; L571-L599 CarbonylContact O-C 3.44Å; L571-L599 WeakPolarHBondContact O-CA 3.46Å; L571-V600 PolarHBondContact O-N 3.28Å
572	D	97.6	Very high	93.6	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.3	170.8	-171.6	-12.2	0	0	0	110.4	L543 Y544 L545 Y570 R574 V600	L543-D572 PolarHBondContact O-N 3.22Å; Y544-D572 HydrophobicContact CD1-CB 3.72Å; Y544-D572 HydrophobicContact CE1-CB 4.4Å; Y544-D572 HydrophobicContact CG-CB 4.33Å; L545-D572 CarbonylContact C-O 3.59Å; L545-D572 WeakPolarHBondContact CA-O 3.31Å; L545-D572 PolarHBondContact N-O 3.46Å; Y570-D572 HydrophobicContact CE1-CB 3.93Å; D572-R574 WeakPolarHBondContact OD1-CB 3.34Å; D572-R574 VanDerWaalsContact OD1-CG 3.3Å; D572-R574 WeakPolarHBondContact OD1-CG 3.47Å; D572-R574 PolarHBondContact OD1-N 2.81Å; D572-R574 IonicContact OD1-NE 3.7Å; D572-R574 PolarHBondContact OD1-NE 3.13Å; D572-R574 VanDerWaalsContact OD1-NE 3.08Å; D572-R574 IonicContact OD2-CZ 3.01Å; D572-R574 VanDerWaalsContact OD2-CZ 3.29Å; D572-R574 IonicContact OD2-NE 2.92Å; D572-R574 PolarHBondContact OD2-NE 3.48Å; D572-R574 VanDerWaalsContact OD2-NE 3.1Å; D572-R574 IonicContact OD2-NH2 3.1Å; D572-R574 PolarHBondContact OD2-NH2 3.38Å; D572-V600 HydrophobicContact CB-CB 4.39Å
573	I	96.9	Very high	93.5	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	21%	0.207	C	C	.	.			trans	-126.4	21.1	179	58.9	168.8	0	0	0	112.1	L545 M550 L558 L571 N576 L578 L586 L599 V600	L545-I573 HydrophobicContact CB-CG2 4.47Å; M550-I573 HydrophobicContact CE-CB 4.08Å; M550-I573 HydrophobicContact CE-CG2 3.9Å; L558-I573 HydrophobicContact CD1-CG2 4.17Å; L571-I573 HydrophobicContact CD1-CG2 3.95Å; L571-I573 HydrophobicContact CD2-CG2 4.18Å; L571-I573 HydrophobicContact CG-CG2 3.9Å; I573-N576 PolarHBondContact O-ND2 3.31Å; I573-L578 HydrophobicContact CD1-CD2 4.44Å; I573-L586 HydrophobicContact CD1-CD1 3.87Å; I573-L599 HydrophobicContact CD1-CD1 4.05Å; I573-L599 HydrophobicContact CG1-CD1 4.01Å; I573-V600 PolarHBondContact N-O 2.95Å
574	R	95.9	Very high	93.5	Very high	75 Å²	75	43.9 Å²	43.9	28%	0.283	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	161.2	178.2	-72	179.2	-68.5	175.1	2.1	112.6	R546 S547 D572 N576 V600	R546-R574 CarbonylContact C-O 3.59Å; R546-R574 WeakPolarHBondContact CA-O 3.36Å; R546-R574 HydrophobicContact CG-CB 4Å; R546-R574 WeakPolarHBondContact CG-O 3.44Å; S547-R574 PolarHBondContact N-O 2.98Å; D572-R574 WeakPolarHBondContact OD1-CB 3.34Å; D572-R574 VanDerWaalsContact OD1-CG 3.3Å; D572-R574 WeakPolarHBondContact OD1-CG 3.47Å; D572-R574 PolarHBondContact OD1-N 2.81Å; D572-R574 IonicContact OD1-NE 3.7Å; D572-R574 PolarHBondContact OD1-NE 3.13Å; D572-R574 VanDerWaalsContact OD1-NE 3.08Å; D572-R574 IonicContact OD2-CZ 3.01Å; D572-R574 VanDerWaalsContact OD2-CZ 3.29Å; D572-R574 IonicContact OD2-NE 2.92Å; D572-R574 PolarHBondContact OD2-NE 3.48Å; D572-R574 VanDerWaalsContact OD2-NE 3.1Å; D572-R574 IonicContact OD2-NH2 3.1Å; D572-R574 PolarHBondContact OD2-NH2 3.38Å; R574-N576 PolarHBondContact O-N 2.9Å; R574-N576 PolarHBondContact O-ND2 3.35Å; R574-V600 VanDerWaalsContact CD-CG1 3.5Å; R574-V600 HydrophobicContact CG-CG1 3.83Å
575	N	94.6	Very high	93.8	Very high	66 Å²	66	39.2 Å²	39.2	35%	0.353	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	32.9	178.9	-65.2	-2.2	0	0	0	113.8	R546 S547 D602	R546-N575 HydrophobicContact CG-CB 4.17Å; R546-N575 PolarHBondContact NE-ND2 3.04Å; R546-N575 PolarHBondContact NH2-ND2 3.5Å; S547-N575 WeakPolarHBondContact CA-O 3.4Å; N575-D602 WeakPolarHBondContact CA-OD2 3.36Å; N575-D602 PolarHBondContact N-OD2 3.44Å; N575-D602 PolarHBondContact OD1-OD2 3.21Å
576	N	95.3	Very high	94	Very high	17 Å²	17	39.1 Å²	39.1	9%	0.091	20%	0.197	C	C	.	.	S	Bend	trans	-111	169.3	170.2	-70.4	-63.8	0	0	0	110.3	L545 I548 N549 M550 I573 R574 L578	L545-N576 PolarHBondContact O-ND2 3.28Å; I548-N576 WeakPolarHBondContact CG1-OD1 3.25Å; I548-N576 PolarHBondContact N-OD1 3.21Å; I548-N576 VanDerWaalsContact N-OD1 3.12Å; N549-N576 PolarHBondContact N-OD1 3.18Å; M550-N576 HydrophobicContact CB-CB 4.11Å; M550-N576 WeakPolarHBondContact CB-OD1 3.49Å; M550-N576 HydrophobicContact CE-CB 4.3Å; M550-N576 PolarHBondContact N-OD1 2.92Å; M550-N576 VanDerWaalsContact N-OD1 3.12Å; I573-N576 PolarHBondContact O-ND2 3.31Å; R574-N576 PolarHBondContact O-N 2.9Å; R574-N576 PolarHBondContact O-ND2 3.35Å; N576-L578 PolarHBondContact O-N 2.53Å
577	N	91.4	Very high	94.4	Very high	123 Å²	123	33.1 Å²	33.1	66%	0.658	17%	0.172	S	C	*	.			trans	-82.8	85.4	-176.7	-125.2	31.3	0	0	0	110.2	M550	M550-N577 WeakPolarHBondContact O-CB 3.31Å; M550-N577 PolarHBondContact O-N 2.97Å
578	L	90.8	Very high	94.6	Very high	11 Å²	11	40.3 Å²	40.3	6%	0.058	20%	0.202	C	C	.	.			trans	-82.8	135.5	176.4	-56.8	-177.4	0	0	0	111	I555 I573 N576 D602 A603 W606	I555-L578 HydrophobicContact CD1-CD2 3.13Å; I573-L578 HydrophobicContact CD1-CD2 4.44Å; N576-L578 PolarHBondContact O-N 2.53Å; L578-D602 HydrophobicContact CD1-CB 4.33Å; L578-A603 HydrophobicContact CD1-CB 4.42Å; L578-W606 PolarHBondContact O-NE1 3.31Å
579	D	89.7	Confident	94.6	Very high	62 Å²	62	41 Å²	41	33%	0.332	21%	0.206	S	C	.	.			trans	-126.9	178.2	168.8	68.6	-2.2	0	0	0	111.2	A581 S582 I583	D579-A581 VanDerWaalsContact C-N 3.26Å; D579-A581 PolarHBondContact O-N 3.02Å; D579-A581 PolarHBondContact OD1-N 3.34Å; D579-S582 WeakPolarHBondContact O-CB 3.49Å; D579-S582 PolarHBondContact O-N 2.9Å; D579-S582 VanDerWaalsContact OD1-CB 3.23Å; D579-S582 WeakPolarHBondContact OD1-CB 3Å; D579-S582 PolarHBondContact OD1-N 2.9Å; D579-S582 PolarHBondContact OD1-OG 3.26Å; D579-I583 PolarHBondContact O-N 3.14Å; D579-I583 VanDerWaalsContact O-N 3.17Å
580	I	90.6	Very high	94.5	Very high	43 Å²	43	38 Å²	38	22%	0.221	19%	0.193	C	C	.	.	H	α-helix	trans	-59.3	-40	-179.7	-54.5	-178.2	0	0	0	111	S582 I583 M584 W606 L613 D617 I621	I580-S582 VanDerWaalsContact C-N 3.31Å; I580-S582 PolarHBondContact O-N 3.36Å; I580-I583 PolarHBondContact O-N 3.12Å; I580-M584 WeakPolarHBondContact O-CB 3.37Å; I580-M584 PolarHBondContact O-N 3.48Å; I580-W606 HydrophobicContact CD1-CH2 4.36Å; I580-W606 HydrophobicContact CG1-CH2 3.49Å; I580-W606 VanDerWaalsContact CG1-CH2 3.49Å; I580-W606 HydrophobicContact CG1-CZ3 3.98Å; I580-L613 HydrophobicContact CD1-CD2 3.85Å; I580-D617 HydrophobicContact CD1-CB 4.35Å; I580-I621 HydrophobicContact CD1-CD1 4.02Å; I580-I621 HydrophobicContact CD1-CG1 4.41Å; I580-I621 HydrophobicContact CG1-CD1 4Å; I580-I621 HydrophobicContact CG1-CG1 4.16Å; I580-I621 HydrophobicContact CG2-CG1 4.37Å
581	A	92.8	Very high	94.4	Very high	41 Å²	41	41.7 Å²	41.7	34%	0.339	21%	0.211	S	C	.	.	H	α-helix	trans	-63	-39	179.7	0	0	0	0	0	111.6	F552 D579 M584 A585	F552-A581 HydrophobicContact CD2-CB 3.57Å; F552-A581 HydrophobicContact CE2-CB 3.58Å; F552-A581 HydrophobicContact CG-CB 4.32Å; F552-A581 HydrophobicContact CZ-CB 4.34Å; D579-A581 VanDerWaalsContact C-N 3.26Å; D579-A581 PolarHBondContact O-N 3.02Å; D579-A581 PolarHBondContact OD1-N 3.34Å; A581-M584 PolarHBondContact O-N 3.45Å; A581-A585 WeakPolarHBondContact O-CB 3.35Å; A581-A585 PolarHBondContact O-N 3.11Å
582	S	93.6	Very high	94.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-46	175.8	-58.6	0	0	0	0	111.8	F552 D579 I580 M584 A585 L586	F552-S582 WeakPolarHBondContact CA-OG 3.4Å; D579-S582 WeakPolarHBondContact O-CB 3.49Å; D579-S582 PolarHBondContact O-N 2.9Å; D579-S582 VanDerWaalsContact OD1-CB 3.23Å; D579-S582 WeakPolarHBondContact OD1-CB 3Å; D579-S582 PolarHBondContact OD1-N 2.9Å; D579-S582 PolarHBondContact OD1-OG 3.26Å; I580-S582 VanDerWaalsContact C-N 3.31Å; I580-S582 PolarHBondContact O-N 3.36Å; S582-M584 VanDerWaalsContact C-N 3.34Å; S582-A585 PolarHBondContact O-N 3.33Å; S582-L586 WeakPolarHBondContact O-CG 3.49Å; S582-L586 PolarHBondContact O-N 3.49Å
583	I	93.6	Very high	94.1	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-40	177.9	-61.4	172.6	0	0	0	110.4	D579 I580 L586 S587 A603 W606 I621 L624 I625 I628	D579-I583 PolarHBondContact O-N 3.14Å; D579-I583 VanDerWaalsContact O-N 3.17Å; I580-I583 PolarHBondContact O-N 3.12Å; I583-L586 PolarHBondContact O-N 3.03Å; I583-S587 WeakPolarHBondContact O-CB 3.38Å; I583-S587 PolarHBondContact O-N 3.38Å; I583-A603 HydrophobicContact CD1-CB 4.05Å; I583-A603 HydrophobicContact CG1-CB 4.24Å; I583-W606 HydrophobicContact CD1-CE3 3.84Å; I583-W606 HydrophobicContact CD1-CZ3 4.04Å; I583-I621 HydrophobicContact CD1-CG2 4.04Å; I583-L624 HydrophobicContact CG2-CB 3.78Å; I583-L624 HydrophobicContact CG2-CD1 4.28Å; I583-I625 HydrophobicContact CG2-CG1 4.2Å; I583-I628 HydrophobicContact CG2-CD1 4.04Å
584	M	94	Very high	93.9	Very high	93 Å²	93	51.8 Å²	51.8	46%	0.458	26%	0.255	S	S	.	.	H	α-helix	trans	-64.3	-43.1	176.8	-173.1	178.8	-75.6	0	0	112.1	I580 A581 S582 S587 K588 L620 L624	I580-M584 WeakPolarHBondContact O-CB 3.37Å; I580-M584 PolarHBondContact O-N 3.48Å; A581-M584 PolarHBondContact O-N 3.45Å; S582-M584 VanDerWaalsContact C-N 3.34Å; M584-S587 PolarHBondContact O-N 2.84Å; M584-K588 PolarHBondContact O-N 3.31Å; M584-L620 HydrophobicContact CE-CD2 4.35Å; M584-L624 HydrophobicContact CB-CD1 4.13Å; M584-L624 HydrophobicContact CE-CD1 4.5Å
585	A	95.7	Very high	93.8	Very high	17 Å²	17	49.1 Å²	49.1	14%	0.14	25%	0.248	C	C	.	.	H	α-helix	trans	-59.4	-48.9	175.7	0	0	0	0	0	111.3	A581 S582 S587 K588 T589	A581-A585 WeakPolarHBondContact O-CB 3.35Å; A581-A585 PolarHBondContact O-N 3.11Å; S582-A585 PolarHBondContact O-N 3.33Å; A585-S587 PolarHBondContact O-N 3.27Å; A585-K588 PolarHBondContact O-N 3.41Å; A585-T589 WeakPolarHBondContact O-CB 3.22Å; A585-T589 PolarHBondContact O-N 3.22Å; A585-T589 PolarHBondContact O-OG1 3.3Å
586	L	95.7	Very high	93.9	Very high	5 Å²	5	46 Å²	46	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-43.9	177.5	-71.5	170.3	0	0	0	112.4	I555 L562 I573 S582 I583 K588 T589 L590 L599 I628	I555-L586 HydrophobicContact CG2-CD1 4.08Å; I555-L586 HydrophobicContact CG2-CD2 4.19Å; I555-L586 HydrophobicContact CG2-CG 3.89Å; L562-L586 HydrophobicContact CD1-CD2 4.4Å; I573-L586 HydrophobicContact CD1-CD1 3.87Å; S582-L586 WeakPolarHBondContact O-CG 3.49Å; S582-L586 PolarHBondContact O-N 3.49Å; I583-L586 PolarHBondContact O-N 3.03Å; L586-K588 PolarHBondContact O-N 3.29Å; L586-T589 PolarHBondContact O-N 3.02Å; L586-L590 VanDerWaalsContact O-CB 3.32Å; L586-L590 WeakPolarHBondContact O-CB 3.4Å; L586-L590 VanDerWaalsContact O-CG 3.26Å; L586-L590 WeakPolarHBondContact O-CG 3.5Å; L586-L590 PolarHBondContact O-N 2.88Å; L586-L599 HydrophobicContact CD1-CD2 4.32Å; L586-I628 HydrophobicContact CB-CD1 4.11Å
587	S	95.3	Very high	93.9	Very high	11 Å²	11	46.6 Å²	46.6	8%	0.077	24%	0.235	C	C	.	.	H	α-helix	trans	-58	-47.4	176.7	179.6	0	0	0	0	111.7	I583 M584 A585 F591 S627	I583-S587 WeakPolarHBondContact O-CB 3.38Å; I583-S587 PolarHBondContact O-N 3.38Å; M584-S587 PolarHBondContact O-N 2.84Å; A585-S587 PolarHBondContact O-N 3.27Å; S587-F591 PolarHBondContact O-N 3.05Å; S587-F591 VanDerWaalsContact O-N 3.16Å; S587-S627 PolarHBondContact OG-OG 3.12Å
588	K	95.4	Very high	94.2	Very high	158 Å²	158	41.9 Å²	41.9	69%	0.687	21%	0.212	S	C	*	.	H	α-helix	trans	-66.4	-41.7	179.3	-171	174.6	-178.4	-179.4	0	112.4	M584 A585 L586 F591	M584-K588 PolarHBondContact O-N 3.31Å; A585-K588 PolarHBondContact O-N 3.41Å; L586-K588 PolarHBondContact O-N 3.29Å; K588-F591 WeakPolarHBondContact O-CB 2.98Å
589	T	95.2	Very high	94.4	Very high	15 Å²	15	42.4 Å²	42.4	9%	0.092	21%	0.214	C	C	.	.	H	α-helix	trans	-67.4	-43.7	178.1	-72.7	0	0	0	0	112	S559 L562 A585 L586 F591 I592 N593	S559-T589 WeakPolarHBondContact CB-OG1 3.32Å; S559-T589 WeakPolarHBondContact O-CG2 3.43Å; S559-T589 PolarHBondContact O-OG1 3.39Å; S559-T589 VanDerWaalsContact O-OG1 3.05Å; L562-T589 HydrophobicContact CB-CG2 3.56Å; A585-T589 WeakPolarHBondContact O-CB 3.22Å; A585-T589 PolarHBondContact O-N 3.22Å; A585-T589 PolarHBondContact O-OG1 3.3Å; L586-T589 PolarHBondContact O-N 3.02Å; T589-F591 PolarHBondContact O-N 2.91Å; T589-I592 PolarHBondContact O-N 3.22Å; T589-N593 PolarHBondContact O-N 3.47Å
590	L	95.5	Very high	94.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-70.9	-19.7	-179	-69.5	176.2	0	0	0	113.5	L586 I592 N593 L596 L599 I628 N631 L632 R634	L586-L590 VanDerWaalsContact O-CB 3.32Å; L586-L590 WeakPolarHBondContact O-CB 3.4Å; L586-L590 VanDerWaalsContact O-CG 3.26Å; L586-L590 WeakPolarHBondContact O-CG 3.5Å; L586-L590 PolarHBondContact O-N 2.88Å; L590-I592 VanDerWaalsContact C-N 3.28Å; L590-N593 HydrophobicContact CD2-CB 4.45Å; L590-N593 VanDerWaalsContact O-O 3.13Å; L590-L596 HydrophobicContact CD2-CB 4.2Å; L590-L596 HydrophobicContact CD2-CD2 3.65Å; L590-L599 HydrophobicContact CD1-CD2 3.93Å; L590-I628 HydrophobicContact CD1-CB 4.38Å; L590-I628 HydrophobicContact CD1-CG1 4.24Å; L590-I628 HydrophobicContact CD1-CG2 3.73Å; L590-N631 HydrophobicContact CB-CB 4.19Å; L590-L632 HydrophobicContact CD1-CD2 4.28Å; L590-L632 HydrophobicContact CD1-CG 4.43Å; L590-L632 HydrophobicContact CD2-CD2 4.36Å; L590-R634 PolarHBondContact O-NH2 3.46Å
591	F	94.4	Very high	94.8	Very high	130 Å²	130	40.6 Å²	40.6	57%	0.57	21%	0.209	S	C	*	.	H	α-helix	trans	-63	-37.4	167.7	-177.8	-101	0	0	0	112.1	S587 K588 T589	S587-F591 PolarHBondContact O-N 3.05Å; S587-F591 VanDerWaalsContact O-N 3.16Å; K588-F591 WeakPolarHBondContact O-CB 2.98Å; T589-F591 PolarHBondContact O-N 2.91Å
592	I	94.8	Very high	94.6	Very high	102 Å²	102	40.1 Å²	40.1	52%	0.523	20%	0.201	S	C	.	.	H	α-helix	trans	-84.5	-43.7	179	-58.4	169.6	0	0	0	110.6	T589 L590 R594	T589-I592 PolarHBondContact O-N 3.22Å; L590-I592 VanDerWaalsContact C-N 3.28Å; I592-R594 PolarHBondContact O-N 3.46Å
593	N	95	Very high	94.2	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	20%	0.202	C	C	.	.			trans	-67.3	130.2	-177.3	-178.7	-85.3	0	0	0	111.7	L562 S565 T589 L590 T595 L596 N635	L562-N593 PolarHBondContact O-ND2 2.81Å; S565-N593 PolarHBondContact O-ND2 2.9Å; T589-N593 PolarHBondContact O-N 3.47Å; L590-N593 HydrophobicContact CD2-CB 4.45Å; L590-N593 VanDerWaalsContact O-O 3.13Å; N593-T595 PolarHBondContact ND2-OG1 3.37Å; N593-T595 VanDerWaalsContact ND2-OG1 3.08Å; N593-T595 PolarHBondContact OD1-N 3.34Å; N593-T595 PolarHBondContact OD1-OG1 3.22Å; N593-L596 WeakPolarHBondContact OD1-CB 3.42Å; N593-L596 PolarHBondContact OD1-N 3.07Å; N593-N635 PolarHBondContact O-ND2 3.02Å; N593-N635 PolarHBondContact O-OD1 2.63Å
594	R	93.1	Very high	93.8	Very high	112 Å²	112	45 Å²	45	42%	0.423	22%	0.224	S	C	.	.	S	Bend	trans	-109	0.1	179.4	-58.5	-64.7	168.9	148.7	-11.1	114	I592 R634 N635 E638	I592-R594 PolarHBondContact O-N 3.46Å; R594-R634 VanDerWaalsContact CZ-NH1 3.28Å; R594-N635 WeakPolarHBondContact CA-OD1 3.27Å; R594-E638 IonicContact NH1-OE1 3.7Å; R594-E638 PolarHBondContact NH1-OE1 3.33Å
595	T	94.3	Very high	93.3	Very high	20 Å²	20	48.5 Å²	48.5	12%	0.123	23%	0.232	C	C	.	.	S	Bend	trans	-104.2	-39.5	-168.6	65.9	0	0	0	0	113.1	S565 L568 K569 N593 T597	S565-T595 PolarHBondContact O-OG1 2.97Å; L568-T595 CarbonylContact O-C 3.59Å; L568-T595 PolarHBondContact O-OG1 3.42Å; K569-T595 WeakPolarHBondContact CD-O 3.5Å; K569-T595 PolarHBondContact NZ-O 3.32Å; N593-T595 PolarHBondContact ND2-OG1 3.37Å; N593-T595 VanDerWaalsContact ND2-OG1 3.08Å; N593-T595 PolarHBondContact OD1-N 3.34Å; N593-T595 PolarHBondContact OD1-OG1 3.22Å; T595-T597 PolarHBondContact O-N 3.3Å
596	L	96.3	Very high	92.7	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.234	C	C	.	.			trans	-70.4	118.4	-176.6	-164	77.3	0	0	0	109.9	L562 L568 K569 L571 L590 N593 L599 L632 N635	L562-L596 HydrophobicContact CD2-CD1 4.43Å; L562-L596 HydrophobicContact CD2-CD2 4.46Å; L568-L596 HydrophobicContact CB-CD1 4.47Å; L568-L596 HydrophobicContact CD2-CD1 4.08Å; L568-L596 HydrophobicContact CG-CD1 4.07Å; L568-L596 WeakPolarHBondContact O-CA 3.32Å; L568-L596 PolarHBondContact O-N 2.82Å; K569-L596 WeakPolarHBondContact O-CD1 3.46Å; L571-L596 HydrophobicContact CB-CD1 3.93Å; L571-L596 HydrophobicContact CB-CD2 4.36Å; L590-L596 HydrophobicContact CD2-CB 4.2Å; L590-L596 HydrophobicContact CD2-CD2 3.65Å; N593-L596 WeakPolarHBondContact OD1-CB 3.42Å; N593-L596 PolarHBondContact OD1-N 3.07Å; L596-L599 HydrophobicContact CD2-CB 4.1Å; L596-L632 HydrophobicContact CD2-CD2 4.13Å; L596-L632 HydrophobicContact CG-CD2 4.28Å; L596-N635 VanDerWaalsContact O-CB 3.23Å; L596-N635 WeakPolarHBondContact O-CB 3.26Å; L596-N635 PolarHBondContact O-ND2 2.88Å
597	T	95.4	Very high	91.8	Very high	29 Å²	29	50.9 Å²	50.9	18%	0.178	24%	0.242	C	C	.	.			trans	-100.7	-22.1	-179.1	54.5	0	0	0	0	111.9	K569 T595 N635 R636	K569-T597 HydrophobicContact CD-CG2 4.26Å; K569-T597 PolarHBondContact O-N 2.95Å; K569-T597 PolarHBondContact O-OG1 3.26Å; K569-T597 VanDerWaalsContact O-OG1 3.1Å; T595-T597 PolarHBondContact O-N 3.3Å; T597-N635 HydrophobicContact CG2-CB 4.39Å; T597-R636 HydrophobicContact CG2-CG 4.19Å; T597-R636 VanDerWaalsContact O-CZ 3.3Å; T597-R636 PolarHBondContact O-NE 3.45Å; T597-R636 PolarHBondContact O-NH2 3.08Å
598	S	96.3	Very high	91.1	Very high	24 Å²	24	57.2 Å²	57.2	17%	0.168	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	125.2	-179.8	-171.3	0	0	0	0	111.3	K569 Y570 L571	K569-S598 PolarHBondContact O-N 3.47Å; Y570-S598 WeakPolarHBondContact CA-O 3.4Å; Y570-S598 VanDerWaalsContact CD2-CB 3.45Å; Y570-S598 WeakPolarHBondContact CD2-OG 3.3Å; Y570-S598 WeakPolarHBondContact CE2-OG 3.31Å; L571-S598 PolarHBondContact N-O 2.93Å
599	L	96.1	Very high	90.4	Very high	22 Å²	22	52.9 Å²	52.9	12%	0.115	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123	168.7	175	63.9	0	0	0	107.7	L571 I573 L586 L590 L596 I628 L632	L571-L599 HydrophobicContact CB-CD1 4.08Å; L571-L599 HydrophobicContact CD2-CD1 3.93Å; L571-L599 HydrophobicContact CG-CD1 3.93Å; L571-L599 CarbonylContact O-C 3.44Å; L571-L599 WeakPolarHBondContact O-CA 3.46Å; I573-L599 HydrophobicContact CD1-CD1 4.05Å; I573-L599 HydrophobicContact CG1-CD1 4.01Å; L586-L599 HydrophobicContact CD1-CD2 4.32Å; L590-L599 HydrophobicContact CD1-CD2 3.93Å; L596-L599 HydrophobicContact CD2-CB 4.1Å; L599-I628 HydrophobicContact CD2-CG2 4.22Å; L599-L632 HydrophobicContact CB-CD1 3.79Å; L599-L632 HydrophobicContact CB-CD2 4.18Å
600	V	95.4	Very high	89.4	Confident	38 Å²	38	55.5 Å²	55.5	23%	0.23	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.5	173.5	-170.1	0	0	0	0	108.3	Y570 L571 D572 I573 R574	Y570-V600 HydrophobicContact CE2-CG2 3.96Å; Y570-V600 VanDerWaalsContact OH-CG2 3.24Å; Y570-V600 WeakPolarHBondContact OH-CG2 3.15Å; L571-V600 PolarHBondContact O-N 3.28Å; D572-V600 HydrophobicContact CB-CB 4.39Å; I573-V600 PolarHBondContact N-O 2.95Å; R574-V600 VanDerWaalsContact CD-CG1 3.5Å; R574-V600 HydrophobicContact CG-CG1 3.83Å
601	S	92.8	Very high	88.2	Confident	30 Å²	30	60 Å²	60	21%	0.21	31%	0.305	C	S	.	.			trans	-143.5	164.2	-178.7	74.4	0	0	0	0	110.7	A603	S601-A603 PolarHBondContact O-N 3.06Å; S601-A603 WeakPolarHBondContact OG-CB 3.44Å; S601-A603 PolarHBondContact OG-N 3.44Å
602	D	89.8	Confident	87.5	Confident	31 Å²	31	61.1 Å²	61.1	17%	0.166	32%	0.317	C	S	.	.	S	Bend	trans	-87.3	14.7	174.8	-68.7	-37.1	0	0	0	113	N575 L578 H604 R605 W606	N575-D602 WeakPolarHBondContact CA-OD2 3.36Å; N575-D602 PolarHBondContact N-OD2 3.44Å; N575-D602 PolarHBondContact OD1-OD2 3.21Å; L578-D602 HydrophobicContact CD1-CB 4.33Å; D602-H604 VanDerWaalsContact C-N 3.34Å; D602-H604 PolarHBondContact O-N 3.21Å; D602-R605 HydrophobicContact CB-CB 4.5Å; D602-R605 CarbonylContact O-C 3.57Å; D602-R605 PolarHBondContact O-N 3.32Å; D602-W606 WeakPolarHBondContact O-CB 3.43Å; D602-W606 PolarHBondContact O-N 3.26Å
603	A	85.4	Confident	86.6	Confident	4 Å²	4	57.8 Å²	57.8	3%	0.033	30%	0.3	C	S	.	.	H	α-helix	trans	-55.9	-44.2	-174.3	0	0	0	0	0	113.1	L578 I583 S601 W606 A607 I625	L578-A603 HydrophobicContact CD1-CB 4.42Å; I583-A603 HydrophobicContact CD1-CB 4.05Å; I583-A603 HydrophobicContact CG1-CB 4.24Å; S601-A603 PolarHBondContact O-N 3.06Å; S601-A603 WeakPolarHBondContact OG-CB 3.44Å; S601-A603 PolarHBondContact OG-N 3.44Å; A603-W606 PolarHBondContact O-N 2.99Å; A603-A607 WeakPolarHBondContact O-CB 3.23Å; A603-A607 PolarHBondContact O-N 3.24Å; A603-I625 HydrophobicContact CB-CD1 4.02Å; A603-I625 HydrophobicContact CB-CG1 4.13Å
604	H	84.3	Confident	86.1	Confident	99 Å²	99	60.6 Å²	60.6	46%	0.458	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-43.9	175.4	-66.5	-87.5	0	0	0	112.3	D602 N608 I625 D629	D602-H604 VanDerWaalsContact C-N 3.34Å; D602-H604 PolarHBondContact O-N 3.21Å; H604-N608 PolarHBondContact O-N 3.19Å; H604-N608 PolarHBondContact O-ND2 3.1Å; H604-I625 WeakPolarHBondContact CE1-CG2 3.3Å; H604-I625 WeakPolarHBondContact NE2-CG2 3.39Å; H604-D629 IonicContact CE1-OD2 3.45Å; H604-D629 IonicContact NE2-OD2 3.54Å
605	R	83.3	Confident	85.7	Confident	166 Å²	166	61 Å²	61	63%	0.626	33%	0.331	S	S	*	.	H	α-helix	trans	-66.7	-41.8	-179.9	-178.2	177.9	173.3	-131.5	-4	110.5	D602 N608 S609	D602-R605 HydrophobicContact CB-CB 4.5Å; D602-R605 CarbonylContact O-C 3.57Å; D602-R605 PolarHBondContact O-N 3.32Å; R605-N608 PolarHBondContact O-N 2.95Å; R605-S609 WeakPolarHBondContact O-CB 3.44Å; R605-S609 PolarHBondContact O-N 2.99Å; R605-S609 VanDerWaalsContact O-N 3.12Å; R605-S609 PolarHBondContact O-OG 3.39Å
606	W	83.6	Confident	85.3	Confident	50 Å²	50	68 Å²	68	19%	0.189	36%	0.359	C	S	.	.	H	α-helix	trans	-61.7	-48.8	177.8	-177.2	87.5	0	0	0	111	L578 I580 I583 D602 A603 N608 S609 Q610 L613 I621	L578-W606 PolarHBondContact O-NE1 3.31Å; I580-W606 HydrophobicContact CD1-CH2 4.36Å; I580-W606 HydrophobicContact CG1-CH2 3.49Å; I580-W606 VanDerWaalsContact CG1-CH2 3.49Å; I580-W606 HydrophobicContact CG1-CZ3 3.98Å; I583-W606 HydrophobicContact CD1-CE3 3.84Å; I583-W606 HydrophobicContact CD1-CZ3 4.04Å; D602-W606 WeakPolarHBondContact O-CB 3.43Å; D602-W606 PolarHBondContact O-N 3.26Å; A603-W606 PolarHBondContact O-N 2.99Å; W606-N608 VanDerWaalsContact C-N 3.26Å; W606-N608 PolarHBondContact O-N 3.15Å; W606-S609 PolarHBondContact O-N 2.71Å; W606-Q610 HydrophobicContact CD2-CG 4.29Å; W606-Q610 HydrophobicContact CZ2-CG 4.05Å; W606-Q610 WeakPolarHBondContact O-CG 3.45Å; W606-Q610 PolarHBondContact O-N 3.34Å; W606-L613 HydrophobicContact CH2-CD1 4.13Å; W606-L613 HydrophobicContact CZ3-CD1 4.49Å; W606-I621 HydrophobicContact CH2-CD1 4.11Å; W606-I621 HydrophobicContact CZ3-CD1 3.56Å; W606-I621 HydrophobicContact CZ3-CG1 4.14Å; W606-I621 HydrophobicContact CZ3-CG2 4.4Å
607	A	77.1	Confident	84.9	Confident	23 Å²	23	70.9 Å²	70.9	19%	0.19	38%	0.375	C	S	.	.	H	α-helix	trans	-55.9	-39.6	177.7	0	0	0	0	0	112.9	A603 I621 I625	A603-A607 WeakPolarHBondContact O-CB 3.23Å; A603-A607 PolarHBondContact O-N 3.24Å; A607-I621 HydrophobicContact CB-CG2 3.64Å; A607-I625 HydrophobicContact CB-CD1 4.18Å
608	N	79.5	Confident	84.4	Confident	143 Å²	143	73 Å²	73	77%	0.765	38%	0.381	S	S	*	.	H	α-helix	trans	-77.5	-19.6	178.9	-67.4	-21.2	0	0	0	113.9	H604 R605 W606	H604-N608 PolarHBondContact O-N 3.19Å; H604-N608 PolarHBondContact O-ND2 3.1Å; R605-N608 PolarHBondContact O-N 2.95Å; W606-N608 VanDerWaalsContact C-N 3.26Å; W606-N608 PolarHBondContact O-N 3.15Å
609	S	81	Confident	84	Confident	68 Å²	68	77.1 Å²	77.1	48%	0.476	40%	0.402	S	S	.	.	H	α-helix	trans	-93.8	-1.3	-173.6	-56.7	0	0	0	0	113.6	R605 W606 P611	R605-S609 WeakPolarHBondContact O-CB 3.44Å; R605-S609 PolarHBondContact O-N 2.99Å; R605-S609 VanDerWaalsContact O-N 3.12Å; R605-S609 PolarHBondContact O-OG 3.39Å; W606-S609 PolarHBondContact O-N 2.71Å; S609-P611 WeakPolarHBondContact O-CD 3.41Å
610	Q	74	Confident	83.7	Confident	70 Å²	70	79.2 Å²	79.2	33%	0.327	41%	0.413	S	S	.	.			trans	-106.1	90.7	-176.3	-65.4	-61.5	-27.4	0	0	110.6	W606 D612 L613 K618	W606-Q610 HydrophobicContact CD2-CG 4.29Å; W606-Q610 HydrophobicContact CZ2-CG 4.05Å; W606-Q610 WeakPolarHBondContact O-CG 3.45Å; W606-Q610 PolarHBondContact O-N 3.34Å; Q610-D612 VanDerWaalsContact C-N 3.3Å; Q610-D612 PolarHBondContact O-N 3.21Å; Q610-L613 HydrophobicContact CB-CD1 3.32Å; Q610-L613 HydrophobicContact CB-CG 4.02Å; Q610-L613 HydrophobicContact CG-CD1 3.89Å; Q610-K618 WeakPolarHBondContact O-CE 3.34Å
611	P	70.7	Confident	83.4	Confident	94 Å²	94	77.5 Å²	77.5	61%	0.61	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-31.7	-178.7	25.4	-32.9	0	0	0	112.7	S609 L613 K618	S609-P611 WeakPolarHBondContact O-CD 3.41Å; P611-L613 PolarHBondContact O-N 2.97Å; P611-K618 PolarHBondContact O-NZ 2.91Å; P611-K618 VanDerWaalsContact O-NZ 3.16Å
612	D	78.6	Confident	83.3	Confident	154 Å²	154	82 Å²	82	82%	0.824	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-0.8	-168	-60.6	-23.1	0	0	0	114.9	Q610	Q610-D612 VanDerWaalsContact C-N 3.3Å; Q610-D612 PolarHBondContact O-N 3.21Å
613	L	77.8	Confident	83.5	Confident	33 Å²	33	83.2 Å²	83.2	17%	0.173	43%	0.429	C	S	.	.	S	Bend	trans	-74	140.9	177	-78.5	161.8	0	0	0	111.6	I580 W606 Q610 P611 D617 K618 I621	I580-L613 HydrophobicContact CD1-CD2 3.85Å; W606-L613 HydrophobicContact CH2-CD1 4.13Å; W606-L613 HydrophobicContact CZ3-CD1 4.49Å; Q610-L613 HydrophobicContact CB-CD1 3.32Å; Q610-L613 HydrophobicContact CB-CG 4.02Å; Q610-L613 HydrophobicContact CG-CD1 3.89Å; P611-L613 PolarHBondContact O-N 2.97Å; L613-D617 HydrophobicContact CD2-CB 3.98Å; L613-K618 HydrophobicContact CB-CG 4.01Å; L613-K618 WeakPolarHBondContact O-CE 3.3Å; L613-K618 PolarHBondContact O-NZ 3.03Å; L613-K618 VanDerWaalsContact O-NZ 3.13Å; L613-I621 HydrophobicContact CD1-CD1 3.82Å
614	S	84.3	Confident	84	Confident	62 Å²	62	84 Å²	84	43%	0.434	43%	0.432	S	S	.	.			trans	-55.3	144.3	170.1	173.8	0	0	0	0	110.6	K616 D617 K618	S614-K616 PolarHBondContact O-N 2.9Å; S614-K616 VanDerWaalsContact O-N 3.15Å; S614-K616 PolarHBondContact OG-N 2.63Å; S614-D617 PolarHBondContact O-N 3.34Å; S614-K618 PolarHBondContact O-N 2.82Å
615	D	84.3	Confident	84.4	Confident	121 Å²	121	79.7 Å²	79.7	65%	0.647	41%	0.413	S	S	*	.	H	α-helix	trans	-54.7	-35.3	176.5	-65.3	-28.9	0	0	0	111.6	D617 K618 D619	D615-D617 PolarHBondContact O-N 2.76Å; D615-K618 PolarHBondContact O-N 3.11Å; D615-D619 PolarHBondContact O-N 2.91Å
616	K	86.4	Confident	84.9	Confident	167 Å²	167	77 Å²	77	73%	0.726	41%	0.407	S	S	*	.	H	α-helix	trans	-63.1	-39.1	175	-66.7	-176.1	179.6	178.7	0	113.1	S614 L620	S614-K616 PolarHBondContact O-N 2.9Å; S614-K616 VanDerWaalsContact O-N 3.15Å; S614-K616 PolarHBondContact OG-N 2.63Å; K616-L620 WeakPolarHBondContact O-CB 2.98Å; K616-L620 PolarHBondContact O-N 3.45Å
617	D	86.2	Confident	85.5	Confident	61 Å²	61	76.6 Å²	76.6	33%	0.326	41%	0.412	S	S	.	.	H	α-helix	trans	-73.7	-37.4	-179.8	-63.9	-31.5	0	0	0	110.3	I580 L613 S614 D615 L620 I621	I580-D617 HydrophobicContact CD1-CB 4.35Å; L613-D617 HydrophobicContact CD2-CB 3.98Å; S614-D617 PolarHBondContact O-N 3.34Å; D615-D617 PolarHBondContact O-N 2.76Å; D617-L620 PolarHBondContact O-N 3.02Å; D617-I621 WeakPolarHBondContact O-CB 3.48Å; D617-I621 VanDerWaalsContact O-CD1 3.26Å; D617-I621 WeakPolarHBondContact O-CD1 3.41Å; D617-I621 WeakPolarHBondContact O-CG1 3.32Å; D617-I621 PolarHBondContact O-N 3.08Å
618	K	85.4	Confident	86.3	Confident	73 Å²	73	76 Å²	76	32%	0.317	41%	0.406	S	S	.	.	H	α-helix	trans	-59.6	-46	172.7	-69.7	174.4	-179.4	157.1	0	111.2	Q610 P611 L613 S614 D615 I621 K622	Q610-K618 WeakPolarHBondContact O-CE 3.34Å; P611-K618 PolarHBondContact O-NZ 2.91Å; P611-K618 VanDerWaalsContact O-NZ 3.16Å; L613-K618 HydrophobicContact CB-CG 4.01Å; L613-K618 WeakPolarHBondContact O-CE 3.3Å; L613-K618 PolarHBondContact O-NZ 3.03Å; L613-K618 VanDerWaalsContact O-NZ 3.13Å; S614-K618 PolarHBondContact O-N 2.82Å; D615-K618 PolarHBondContact O-N 3.11Å; K618-I621 PolarHBondContact O-N 3.03Å; K618-K622 WeakPolarHBondContact O-CB 3.35Å; K618-K622 PolarHBondContact O-N 2.78Å
619	D	87.7	Confident	87.1	Confident	111 Å²	111	72.2 Å²	72.2	59%	0.594	39%	0.385	S	S	*	.	H	α-helix	trans	-63.1	-42.9	175.8	-73.8	-20.5	0	0	0	111.8	D615 K622 S623	D615-D619 PolarHBondContact O-N 2.91Å; D619-K622 PolarHBondContact O-N 3.48Å; D619-S623 WeakPolarHBondContact O-CB 3.38Å; D619-S623 PolarHBondContact O-N 2.74Å
620	L	90.7	Very high	87.8	Confident	66 Å²	66	72.2 Å²	72.2	35%	0.346	39%	0.386	S	S	.	.	H	α-helix	trans	-59.7	-50.8	175	177.8	64.8	0	0	0	111.2	M584 K616 D617 K622 S623 L624	M584-L620 HydrophobicContact CE-CD2 4.35Å; K616-L620 WeakPolarHBondContact O-CB 2.98Å; K616-L620 PolarHBondContact O-N 3.45Å; D617-L620 PolarHBondContact O-N 3.02Å; L620-K622 VanDerWaalsContact C-N 3.31Å; L620-K622 PolarHBondContact O-N 3.09Å; L620-S623 PolarHBondContact O-N 2.76Å; L620-S623 PolarHBondContact O-OG 2.74Å; L620-L624 HydrophobicContact CD1-CD1 4.32Å; L620-L624 HydrophobicContact CD1-CG 4.32Å; L620-L624 HydrophobicContact CG-CD1 4.07Å; L620-L624 HydrophobicContact CG-CG 4.48Å; L620-L624 WeakPolarHBondContact O-CG 3.49Å; L620-L624 PolarHBondContact O-N 3.1Å
621	I	89.6	Confident	88.8	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-58.9	-45	179.6	-67.1	155.2	0	0	0	110.4	I580 I583 W606 A607 L613 D617 K618 S623 L624 I625	I580-I621 HydrophobicContact CD1-CD1 4.02Å; I580-I621 HydrophobicContact CD1-CG1 4.41Å; I580-I621 HydrophobicContact CG1-CD1 4Å; I580-I621 HydrophobicContact CG1-CG1 4.16Å; I580-I621 HydrophobicContact CG2-CG1 4.37Å; I583-I621 HydrophobicContact CD1-CG2 4.04Å; W606-I621 HydrophobicContact CH2-CD1 4.11Å; W606-I621 HydrophobicContact CZ3-CD1 3.56Å; W606-I621 HydrophobicContact CZ3-CG1 4.14Å; W606-I621 HydrophobicContact CZ3-CG2 4.4Å; A607-I621 HydrophobicContact CB-CG2 3.64Å; L613-I621 HydrophobicContact CD1-CD1 3.82Å; D617-I621 WeakPolarHBondContact O-CB 3.48Å; D617-I621 VanDerWaalsContact O-CD1 3.26Å; D617-I621 WeakPolarHBondContact O-CD1 3.41Å; D617-I621 WeakPolarHBondContact O-CG1 3.32Å; D617-I621 PolarHBondContact O-N 3.08Å; K618-I621 PolarHBondContact O-N 3.03Å; I621-S623 PolarHBondContact O-N 3.36Å; I621-L624 PolarHBondContact O-N 3.42Å; I621-I625 HydrophobicContact CG2-CD1 3.72Å; I621-I625 HydrophobicContact CG2-CG1 4.36Å; I621-I625 VanDerWaalsContact O-CG1 3.31Å; I621-I625 WeakPolarHBondContact O-CG1 3.39Å; I621-I625 PolarHBondContact O-N 2.99Å
622	K	90.6	Very high	90	Very high	124 Å²	124	65.1 Å²	65.1	54%	0.539	35%	0.345	S	S	.	.	H	α-helix	trans	-59.2	-46.7	176.9	-174.4	178.8	175.3	-173.4	0	111.5	K618 D619 L620 L624 I625 E626	K618-K622 WeakPolarHBondContact O-CB 3.35Å; K618-K622 PolarHBondContact O-N 2.78Å; D619-K622 PolarHBondContact O-N 3.48Å; L620-K622 VanDerWaalsContact C-N 3.31Å; L620-K622 PolarHBondContact O-N 3.09Å; K622-L624 VanDerWaalsContact C-N 3.31Å; K622-L624 PolarHBondContact O-N 3.28Å; K622-I625 PolarHBondContact O-N 3.29Å; K622-E626 WeakPolarHBondContact CE-OE1 3.44Å; K622-E626 WeakPolarHBondContact O-CG 3.42Å; K622-E626 PolarHBondContact O-N 2.78Å
623	S	93.5	Very high	90.8	Very high	58 Å²	58	65.4 Å²	65.4	41%	0.406	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-37.3	177.1	77.4	0	0	0	0	112.8	D619 L620 I621 S627	D619-S623 WeakPolarHBondContact O-CB 3.38Å; D619-S623 PolarHBondContact O-N 2.74Å; L620-S623 PolarHBondContact O-N 2.76Å; L620-S623 PolarHBondContact O-OG 2.74Å; I621-S623 PolarHBondContact O-N 3.36Å; S623-S627 WeakPolarHBondContact O-CB 3.22Å; S623-S627 PolarHBondContact O-N 3.23Å
624	L	94.7	Very high	91.7	Very high	20 Å²	20	66.4 Å²	66.4	11%	0.105	34%	0.336	C	S	.	.	H	α-helix	trans	-68.4	-41.6	177.3	-70.1	170.6	0	0	0	111.5	I583 M584 L620 I621 K622 S627 I628	I583-L624 HydrophobicContact CG2-CB 3.78Å; I583-L624 HydrophobicContact CG2-CD1 4.28Å; M584-L624 HydrophobicContact CB-CD1 4.13Å; M584-L624 HydrophobicContact CE-CD1 4.5Å; L620-L624 HydrophobicContact CD1-CD1 4.32Å; L620-L624 HydrophobicContact CD1-CG 4.32Å; L620-L624 HydrophobicContact CG-CD1 4.07Å; L620-L624 HydrophobicContact CG-CG 4.48Å; L620-L624 WeakPolarHBondContact O-CG 3.49Å; L620-L624 PolarHBondContact O-N 3.1Å; I621-L624 PolarHBondContact O-N 3.42Å; K622-L624 VanDerWaalsContact C-N 3.31Å; K622-L624 PolarHBondContact O-N 3.28Å; L624-S627 WeakPolarHBondContact O-CB 3.39Å; L624-S627 PolarHBondContact O-N 3.36Å; L624-I628 WeakPolarHBondContact O-CG1 3.47Å; L624-I628 PolarHBondContact O-N 3.17Å
625	I	93.2	Very high	92.1	Very high	9 Å²	9	63.5 Å²	63.5	5%	0.046	32%	0.315	C	S	.	.	H	α-helix	trans	-65.4	-43.5	176.6	-68.8	171	0	0	0	110.6	I583 A603 H604 A607 I621 K622 S627 I628 D629	I583-I625 HydrophobicContact CG2-CG1 4.2Å; A603-I625 HydrophobicContact CB-CD1 4.02Å; A603-I625 HydrophobicContact CB-CG1 4.13Å; H604-I625 WeakPolarHBondContact CE1-CG2 3.3Å; H604-I625 WeakPolarHBondContact NE2-CG2 3.39Å; A607-I625 HydrophobicContact CB-CD1 4.18Å; I621-I625 HydrophobicContact CG2-CD1 3.72Å; I621-I625 HydrophobicContact CG2-CG1 4.36Å; I621-I625 VanDerWaalsContact O-CG1 3.31Å; I621-I625 WeakPolarHBondContact O-CG1 3.39Å; I621-I625 PolarHBondContact O-N 2.99Å; K622-I625 PolarHBondContact O-N 3.29Å; I625-S627 VanDerWaalsContact C-N 3.29Å; I625-S627 PolarHBondContact O-N 2.66Å; I625-I628 WeakPolarHBondContact O-CB 3.43Å; I625-I628 PolarHBondContact O-N 3.44Å; I625-I628 VanDerWaalsContact O-N 3.13Å; I625-D629 PolarHBondContact O-N 2.81Å
626	E	94.2	Very high	92.6	Very high	109 Å²	109	63.1 Å²	63.1	51%	0.509	31%	0.305	S	S	.	.	H	α-helix	trans	-60.6	-38.7	174.5	-73.5	173.8	-174.2	0	0	111.9	K622 D629 S630	K622-E626 WeakPolarHBondContact CE-OE1 3.44Å; K622-E626 WeakPolarHBondContact O-CG 3.42Å; K622-E626 PolarHBondContact O-N 2.78Å; E626-D629 PolarHBondContact O-N 2.95Å; E626-S630 VanDerWaalsContact O-CB 3.28Å; E626-S630 WeakPolarHBondContact O-CB 3.5Å; E626-S630 PolarHBondContact O-N 3.31Å
627	S	95.5	Very high	92.9	Very high	41 Å²	41	59.6 Å²	59.6	29%	0.287	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-45.1	172.3	173.2	0	0	0	0	111.9	S587 S623 L624 I625 S630 N631	S587-S627 PolarHBondContact OG-OG 3.12Å; S623-S627 WeakPolarHBondContact O-CB 3.22Å; S623-S627 PolarHBondContact O-N 3.23Å; L624-S627 WeakPolarHBondContact O-CB 3.39Å; L624-S627 PolarHBondContact O-N 3.36Å; I625-S627 VanDerWaalsContact C-N 3.29Å; I625-S627 PolarHBondContact O-N 2.66Å; S627-S630 PolarHBondContact O-N 3.32Å; S627-N631 WeakPolarHBondContact O-CB 3.3Å; S627-N631 PolarHBondContact O-N 3.34Å; S627-N631 PolarHBondContact O-ND2 3.41Å; S627-N631 PolarHBondContact OG-ND2 3.45Å
628	I	95.4	Very high	93	Very high	12 Å²	12	59.9 Å²	59.9	6%	0.062	29%	0.293	C	S	.	.	H	α-helix	trans	-57.9	-51.9	175.8	-72	167.9	0	0	0	110.3	I583 L586 L590 L599 L624 I625 S630 N631 L632	I583-I628 HydrophobicContact CG2-CD1 4.04Å; L586-I628 HydrophobicContact CB-CD1 4.11Å; L590-I628 HydrophobicContact CD1-CB 4.38Å; L590-I628 HydrophobicContact CD1-CG1 4.24Å; L590-I628 HydrophobicContact CD1-CG2 3.73Å; L599-I628 HydrophobicContact CD2-CG2 4.22Å; L624-I628 WeakPolarHBondContact O-CG1 3.47Å; L624-I628 PolarHBondContact O-N 3.17Å; I625-I628 WeakPolarHBondContact O-CB 3.43Å; I625-I628 PolarHBondContact O-N 3.44Å; I625-I628 VanDerWaalsContact O-N 3.13Å; I628-S630 VanDerWaalsContact C-N 3.33Å; I628-S630 PolarHBondContact O-N 2.95Å; I628-N631 PolarHBondContact O-N 3.02Å; I628-L632 HydrophobicContact CG2-CD1 3.84Å; I628-L632 HydrophobicContact CG2-CG 4.48Å; I628-L632 VanDerWaalsContact O-CG 3.31Å; I628-L632 WeakPolarHBondContact O-CG 3.45Å; I628-L632 PolarHBondContact O-N 2.85Å
629	D	95.1	Very high	92.9	Very high	62 Å²	62	58.2 Å²	58.2	33%	0.332	29%	0.288	S	S	.	.	H	α-helix	trans	-61.8	-40.6	-179.1	-74.5	-24.5	0	0	0	112.5	H604 I625 E626 L632 R633	H604-D629 IonicContact CE1-OD2 3.45Å; H604-D629 IonicContact NE2-OD2 3.54Å; I625-D629 PolarHBondContact O-N 2.81Å; E626-D629 PolarHBondContact O-N 2.95Å; D629-L632 PolarHBondContact O-N 3.42Å; D629-R633 WeakPolarHBondContact O-CB 3.39Å; D629-R633 PolarHBondContact O-N 3.01Å
630	S	95.8	Very high	92.7	Very high	69 Å²	69	58.1 Å²	58.1	48%	0.483	28%	0.284	S	S	.	.	H	α-helix	trans	-62.5	-45.1	176.2	-174.4	0	0	0	0	111.6	E626 S627 I628 R633 R634	E626-S630 VanDerWaalsContact O-CB 3.28Å; E626-S630 WeakPolarHBondContact O-CB 3.5Å; E626-S630 PolarHBondContact O-N 3.31Å; S627-S630 PolarHBondContact O-N 3.32Å; I628-S630 VanDerWaalsContact C-N 3.33Å; I628-S630 PolarHBondContact O-N 2.95Å; S630-R633 PolarHBondContact O-N 2.91Å; S630-R634 WeakPolarHBondContact O-CB 3.27Å; S630-R634 PolarHBondContact O-N 2.95Å
631	N	95.9	Very high	92.2	Very high	11 Å²	11	60 Å²	60	6%	0.059	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-41.7	177.3	-76.4	-46.6	0	0	0	112.5	L590 S627 I628 R634 N635	L590-N631 HydrophobicContact CB-CB 4.19Å; S627-N631 WeakPolarHBondContact O-CB 3.3Å; S627-N631 PolarHBondContact O-N 3.34Å; S627-N631 PolarHBondContact O-ND2 3.41Å; S627-N631 PolarHBondContact OG-ND2 3.45Å; I628-N631 PolarHBondContact O-N 3.02Å; N631-R634 WeakPolarHBondContact O-CB 3.11Å; N631-R634 PolarHBondContact O-N 3.25Å; N631-R634 PolarHBondContact OD1-NH2 3.26Å; N631-N635 VanDerWaalsContact O-CG 3.3Å; N631-N635 PolarHBondContact O-N 3.08Å; N631-N635 PolarHBondContact O-OD1 2.86Å
632	L	95.5	Very high	91.6	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-65.2	-41.2	175.9	-65.9	168.5	0	0	0	111.6	L590 L596 L599 I628 D629 R634 N635 R636	L590-L632 HydrophobicContact CD1-CD2 4.28Å; L590-L632 HydrophobicContact CD1-CG 4.43Å; L590-L632 HydrophobicContact CD2-CD2 4.36Å; L596-L632 HydrophobicContact CD2-CD2 4.13Å; L596-L632 HydrophobicContact CG-CD2 4.28Å; L599-L632 HydrophobicContact CB-CD1 3.79Å; L599-L632 HydrophobicContact CB-CD2 4.18Å; I628-L632 HydrophobicContact CG2-CD1 3.84Å; I628-L632 HydrophobicContact CG2-CG 4.48Å; I628-L632 VanDerWaalsContact O-CG 3.31Å; I628-L632 WeakPolarHBondContact O-CG 3.45Å; I628-L632 PolarHBondContact O-N 2.85Å; D629-L632 PolarHBondContact O-N 3.42Å; L632-R634 VanDerWaalsContact C-N 3.35Å; L632-N635 PolarHBondContact O-N 3.29Å; L632-R636 WeakPolarHBondContact O-CG 3.37Å; L632-R636 PolarHBondContact O-N 2.96Å
633	R	95.8	Very high	90.7	Very high	160 Å²	160	62 Å²	62	60%	0.604	31%	0.313	S	S	*	.	H	α-helix	trans	-61.7	-43.7	174.6	-170.6	-176.3	-60.2	153.4	4.4	111.2	D629 S630 N635 R636 L637	D629-R633 WeakPolarHBondContact O-CB 3.39Å; D629-R633 PolarHBondContact O-N 3.01Å; S630-R633 PolarHBondContact O-N 2.91Å; R633-N635 VanDerWaalsContact C-N 3.34Å; R633-N635 PolarHBondContact O-N 3.19Å; R633-R636 WeakPolarHBondContact O-CB 3.4Å; R633-R636 PolarHBondContact O-N 3.37Å; R633-L637 HydrophobicContact CG-CD1 4.5Å; R633-L637 WeakPolarHBondContact O-CG 3.3Å; R633-L637 PolarHBondContact O-N 3.15Å; R633-L637 VanDerWaalsContact O-N 3.13Å
634	R	95.3	Very high	89.4	Confident	54 Å²	54	63.6 Å²	63.6	20%	0.204	32%	0.318	C	S	.	.	H	α-helix	trans	-56.9	-47	174.7	-173.8	-175.5	50.7	52.6	4.5	111.2	L590 R594 S630 N631 L632 R636 L637 E638	L590-R634 PolarHBondContact O-NH2 3.46Å; R594-R634 VanDerWaalsContact CZ-NH1 3.28Å; S630-R634 WeakPolarHBondContact O-CB 3.27Å; S630-R634 PolarHBondContact O-N 2.95Å; N631-R634 WeakPolarHBondContact O-CB 3.11Å; N631-R634 PolarHBondContact O-N 3.25Å; N631-R634 PolarHBondContact OD1-NH2 3.26Å; L632-R634 VanDerWaalsContact C-N 3.35Å; R634-R636 VanDerWaalsContact C-N 3.34Å; R634-R636 PolarHBondContact O-N 2.83Å; R634-L637 PolarHBondContact O-N 3.47Å; R634-E638 WeakPolarHBondContact CG-OE1 3.26Å; R634-E638 IonicContact CZ-OE1 3.65Å; R634-E638 IonicContact NH1-OE1 3.55Å; R634-E638 PolarHBondContact NH1-OE1 3.43Å; R634-E638 IonicContact NH1-OE2 3.97Å; R634-E638 WeakPolarHBondContact O-CG 3.07Å; R634-E638 PolarHBondContact O-N 2.86Å
635	N	94.4	Very high	88.1	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63.6	-35.3	178.2	-68.7	-8.8	0	0	0	113.3	N593 R594 L596 T597 N631 L632 R633 T639	N593-N635 PolarHBondContact O-ND2 3.02Å; N593-N635 PolarHBondContact O-OD1 2.63Å; R594-N635 WeakPolarHBondContact CA-OD1 3.27Å; L596-N635 VanDerWaalsContact O-CB 3.23Å; L596-N635 WeakPolarHBondContact O-CB 3.26Å; L596-N635 PolarHBondContact O-ND2 2.88Å; T597-N635 HydrophobicContact CG2-CB 4.39Å; N631-N635 VanDerWaalsContact O-CG 3.3Å; N631-N635 PolarHBondContact O-N 3.08Å; N631-N635 PolarHBondContact O-OD1 2.86Å; L632-N635 PolarHBondContact O-N 3.29Å; R633-N635 VanDerWaalsContact C-N 3.34Å; R633-N635 PolarHBondContact O-N 3.19Å; N635-T639 PolarHBondContact O-N 2.94Å; N635-T639 VanDerWaalsContact O-N 3.09Å; N635-T639 PolarHBondContact O-OG1 3.47Å
636	R	94.5	Very high	86.2	Confident	114 Å²	114	71.2 Å²	71.2	43%	0.43	36%	0.358	S	S	.	.	H	α-helix	trans	-62.9	-50.6	174.5	-71.8	173.3	-165.3	165.1	7.6	111.4	T597 L632 R633 R634 E638 T639 E640	T597-R636 HydrophobicContact CG2-CG 4.19Å; T597-R636 VanDerWaalsContact O-CZ 3.3Å; T597-R636 PolarHBondContact O-NE 3.45Å; T597-R636 PolarHBondContact O-NH2 3.08Å; L632-R636 WeakPolarHBondContact O-CG 3.37Å; L632-R636 PolarHBondContact O-N 2.96Å; R633-R636 WeakPolarHBondContact O-CB 3.4Å; R633-R636 PolarHBondContact O-N 3.37Å; R634-R636 VanDerWaalsContact C-N 3.34Å; R634-R636 PolarHBondContact O-N 2.83Å; R636-E638 PolarHBondContact O-N 3.26Å; R636-T639 WeakPolarHBondContact O-CB 3.26Å; R636-T639 PolarHBondContact O-N 3.48Å; R636-T639 VanDerWaalsContact O-N 3.11Å; R636-E640 PolarHBondContact O-N 2.97Å
637	L	92	Very high	83.9	Confident	93 Å²	93	70.8 Å²	70.8	49%	0.487	36%	0.359	S	S	.	.	H	α-helix	trans	-62.5	-41.7	179.8	-64.9	172.8	0	0	0	111.8	R633 R634 T639 E640 L641	R633-L637 HydrophobicContact CG-CD1 4.5Å; R633-L637 WeakPolarHBondContact O-CG 3.3Å; R633-L637 PolarHBondContact O-N 3.15Å; R633-L637 VanDerWaalsContact O-N 3.13Å; R634-L637 PolarHBondContact O-N 3.47Å; L637-T639 VanDerWaalsContact C-N 3.29Å; L637-T639 PolarHBondContact O-N 3.46Å; L637-E640 PolarHBondContact O-N 3.36Å; L637-L641 WeakPolarHBondContact O-CB 3.13Å; L637-L641 VanDerWaalsContact O-CG 3.3Å; L637-L641 WeakPolarHBondContact O-CG 3.08Å; L637-L641 PolarHBondContact O-N 2.83Å
638	E	88.1	Confident	81.5	Confident	67 Å²	67	73.8 Å²	73.8	31%	0.313	37%	0.372	S	S	.	.	H	α-helix	trans	-60.4	-38.5	174.4	-74.6	175.8	-156.8	0	0	111.6	R594 R634 R636 V642	R594-E638 IonicContact NH1-OE1 3.7Å; R594-E638 PolarHBondContact NH1-OE1 3.33Å; R634-E638 WeakPolarHBondContact CG-OE1 3.26Å; R634-E638 IonicContact CZ-OE1 3.65Å; R634-E638 IonicContact NH1-OE1 3.55Å; R634-E638 PolarHBondContact NH1-OE1 3.43Å; R634-E638 IonicContact NH1-OE2 3.97Å; R634-E638 WeakPolarHBondContact O-CG 3.07Å; R634-E638 PolarHBondContact O-N 2.86Å; R636-E638 PolarHBondContact O-N 3.26Å; E638-V642 WeakPolarHBondContact O-CG2 3.31Å; E638-V642 PolarHBondContact O-N 2.78Å
639	T	83.8	Confident	79.2	Confident	37 Å²	37	77.7 Å²	77.7	23%	0.227	40%	0.396	C	S	.	.	H	α-helix	trans	-67.5	-46	177.1	-54.2	0	0	0	0	111.4	K569 N635 R636 L637 L641 V642 D643	K569-T639 PolarHBondContact NZ-OG1 3.35Å; N635-T639 PolarHBondContact O-N 2.94Å; N635-T639 VanDerWaalsContact O-N 3.09Å; N635-T639 PolarHBondContact O-OG1 3.47Å; R636-T639 WeakPolarHBondContact O-CB 3.26Å; R636-T639 PolarHBondContact O-N 3.48Å; R636-T639 VanDerWaalsContact O-N 3.11Å; L637-T639 VanDerWaalsContact C-N 3.29Å; L637-T639 PolarHBondContact O-N 3.46Å; T639-L641 VanDerWaalsContact C-N 3.35Å; T639-L641 PolarHBondContact O-N 3.4Å; T639-V642 PolarHBondContact O-N 3.27Å; T639-D643 PolarHBondContact O-N 3.3Å; T639-D643 VanDerWaalsContact O-N 3.13Å
640	E	82.3	Confident	76.5	Confident	109 Å²	109	79.2 Å²	79.2	51%	0.509	41%	0.411	S	S	.	.	H	α-helix	trans	-63.3	-37.3	178.6	-71	171.9	-169.3	0	0	112.8	R636 L637 D643 N644	R636-E640 PolarHBondContact O-N 2.97Å; L637-E640 PolarHBondContact O-N 3.36Å; E640-D643 PolarHBondContact O-N 3.22Å; E640-N644 WeakPolarHBondContact O-CB 3.46Å; E640-N644 VanDerWaalsContact O-CG 3.22Å; E640-N644 PolarHBondContact O-N 2.77Å; E640-N644 PolarHBondContact O-ND2 3.02Å
641	L	81	Confident	73.6	Confident	107 Å²	107	82.2 Å²	82.2	56%	0.56	42%	0.422	S	S	*	.	H	α-helix	trans	-62.1	-42.4	175.7	-76.7	165.4	0	0	0	111.8	L637 T639 N644 I645	L637-L641 WeakPolarHBondContact O-CB 3.13Å; L637-L641 VanDerWaalsContact O-CG 3.3Å; L637-L641 WeakPolarHBondContact O-CG 3.08Å; L637-L641 PolarHBondContact O-N 2.83Å; T639-L641 VanDerWaalsContact C-N 3.35Å; T639-L641 PolarHBondContact O-N 3.4Å; L641-N644 PolarHBondContact O-N 3.05Å; L641-I645 WeakPolarHBondContact O-CD1 3.1Å; L641-I645 VanDerWaalsContact O-CG1 3.25Å; L641-I645 WeakPolarHBondContact O-CG1 3.32Å; L641-I645 PolarHBondContact O-N 3.17Å
642	V	77.7	Confident	70.5	Confident	81 Å²	81	87.9 Å²	87.9	49%	0.491	45%	0.452	S	S	.	.	H	α-helix	trans	-64.4	-43	177.3	172.7	0	0	0	0	111	E638 T639 I645 N646	E638-V642 WeakPolarHBondContact O-CG2 3.31Å; E638-V642 PolarHBondContact O-N 2.78Å; T639-V642 PolarHBondContact O-N 3.27Å; V642-I645 PolarHBondContact O-N 3.21Å; V642-N646 VanDerWaalsContact O-CG 3.27Å; V642-N646 PolarHBondContact O-N 3.41Å; V642-N646 PolarHBondContact O-ND2 3.5Å
643	D	70.9	Confident	67.4	Low	84 Å²	84	95 Å²	95	45%	0.449	49%	0.491	S	S	.	.	H	α-helix	trans	-65.5	-40.3	178.6	-69.1	-23.4	0	0	0	111.8	T639 E640 N646 N647	T639-D643 PolarHBondContact O-N 3.3Å; T639-D643 VanDerWaalsContact O-N 3.13Å; E640-D643 PolarHBondContact O-N 3.22Å; D643-N646 PolarHBondContact O-N 2.76Å; D643-N647 WeakPolarHBondContact O-CB 3.06Å; D643-N647 PolarHBondContact O-N 3.45Å; D643-N647 PolarHBondContact O-ND2 2.88Å; D643-N647 VanDerWaalsContact O-ND2 3.14Å
644	N	65.6	Low	64.2	Low	92 Å²	92	93 Å²	93	49%	0.492	50%	0.499	S	S	.	.	H	α-helix	trans	-65.8	-37.9	176.6	-72.8	-27	0	0	0	112.7	E640 L641 N648	E640-N644 WeakPolarHBondContact O-CB 3.46Å; E640-N644 VanDerWaalsContact O-CG 3.22Å; E640-N644 PolarHBondContact O-N 2.77Å; E640-N644 PolarHBondContact O-ND2 3.02Å; L641-N644 PolarHBondContact O-N 3.05Å; N644-N648 VanDerWaalsContact O-CG 3.3Å; N644-N648 PolarHBondContact O-N 3.12Å; N644-N648 VanDerWaalsContact O-N 3.13Å; N644-N648 PolarHBondContact O-ND2 3.43Å
645	I	68	Low	60.8	Low	104 Å²	104	97.9 Å²	97.9	53%	0.533	53%	0.53	S	S	.	.	H	α-helix	trans	-65.3	-45.5	174.5	-68.1	164.4	0	0	0	110.4	L641 V642 N647 N648 V649	L641-I645 WeakPolarHBondContact O-CD1 3.1Å; L641-I645 VanDerWaalsContact O-CG1 3.25Å; L641-I645 WeakPolarHBondContact O-CG1 3.32Å; L641-I645 PolarHBondContact O-N 3.17Å; V642-I645 PolarHBondContact O-N 3.21Å; I645-N647 VanDerWaalsContact C-N 3.32Å; I645-N647 PolarHBondContact O-N 3.5Å; I645-N648 PolarHBondContact O-N 2.79Å; I645-V649 WeakPolarHBondContact O-CG2 3.31Å; I645-V649 PolarHBondContact O-N 3.27Å
646	N	53.9	Low	57.6	Low	86 Å²	86	104.5 Å²	104.5	46%	0.46	57%	0.57	S	S	.	*	H	α-helix	trans	-64.7	-35.4	-179.8	-70.2	-26.4	0	0	0	112.8	V642 D643 S650	V642-N646 VanDerWaalsContact O-CG 3.27Å; V642-N646 PolarHBondContact O-N 3.41Å; V642-N646 PolarHBondContact O-ND2 3.5Å; D643-N646 PolarHBondContact O-N 2.76Å; N646-S650 PolarHBondContact O-N 3.23Å; N646-S650 PolarHBondContact O-OG 2.99Å; N646-S650 VanDerWaalsContact O-OG 3.09Å
647	N	46.3	Very low	54.6	Low	100 Å²	100	106.8 Å²	106.8	54%	0.535	59%	0.589	S	S	.	*	H	α-helix	trans	-70.3	-33.8	175.4	-70.4	-28.5	0	0	0	112.3	D643 I645	D643-N647 WeakPolarHBondContact O-CB 3.06Å; D643-N647 PolarHBondContact O-N 3.45Å; D643-N647 PolarHBondContact O-ND2 2.88Å; D643-N647 VanDerWaalsContact O-ND2 3.14Å; I645-N647 VanDerWaalsContact C-N 3.32Å; I645-N647 PolarHBondContact O-N 3.5Å
648	N	44.4	Very low	51.4	Low	104 Å²	104	108.8 Å²	108.8	56%	0.556	61%	0.606	S	S	*	*	H	α-helix	trans	-74.4	-31.3	176	-72.9	-18.5	0	0	0	113.2	N644 I645 S650 N651	N644-N648 VanDerWaalsContact O-CG 3.3Å; N644-N648 PolarHBondContact O-N 3.12Å; N644-N648 VanDerWaalsContact O-N 3.13Å; N644-N648 PolarHBondContact O-ND2 3.43Å; I645-N648 PolarHBondContact O-N 2.79Å; N648-S650 VanDerWaalsContact C-N 3.32Å; N648-N651 PolarHBondContact O-N 3.19Å
649	V	46.2	Very low	48.6	Very low	93 Å²	93	110.9 Å²	110.9	56%	0.564	63%	0.625	S	S	*	*	H	α-helix	trans	-69.6	-30.9	174.5	175	0	0	0	0	111.6	I645 N651	I645-V649 WeakPolarHBondContact O-CG2 3.31Å; I645-V649 PolarHBondContact O-N 3.27Å; V649-N651 VanDerWaalsContact C-N 3.31Å; V649-N651 PolarHBondContact O-N 3.34Å
650	S	38.1	Very low	45.9	Very low	94 Å²	94	116 Å²	116	66%	0.657	66%	0.656	S	S	*	*	H	α-helix	trans	-74.9	-18.3	177.8	-57.7	0	0	0	0	113.8	N646 N648	N646-S650 PolarHBondContact O-N 3.23Å; N646-S650 PolarHBondContact O-OG 2.99Å; N646-S650 VanDerWaalsContact O-OG 3.09Å; N648-S650 VanDerWaalsContact C-N 3.32Å
651	N	35.5	Very low	43.4	Very low	133 Å²	133	114.1 Å²	114.1	71%	0.711	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-1.2	179.5	-85	-11.9	0	0	0	114.7	N648 V649	N648-N651 PolarHBondContact O-N 3.19Å; V649-N651 VanDerWaalsContact C-N 3.31Å; V649-N651 PolarHBondContact O-N 3.34Å
652	N	30.7	Very low	40.9	Very low	130 Å²	130	115.6 Å²	115.6	70%	0.695	68%	0.679	S	S	*	*	S	Bend	trans	-106.9	18.3	-178.4	-76.4	-11.7	0	0	0	114.6
653	N	31	Very low	38.6	Very low	154 Å²	154	116.9 Å²	116.9	82%	0.824	69%	0.687	S	S	*	*	S	Bend	trans	-110.5	33.7	174.3	-85.6	-5.8	0	0	0	113.3
654	C	27.8	Very low	36.7	Very low	116 Å²	116	120.1 Å²	120.1	78%	0.784	71%	0.705	S	S	*	*			trans	-137.1	65.6	171.6	-144.9	0	0	0	0	110.6
655	D	24.4	Very low	34.7	Very low	158 Å²	158	124.3 Å²	124.3	85%	0.845	72%	0.721	S	S	*	*			trans	-155.6	91.5	163	-91.6	-32.8	0	0	0	110.4
656	T	26.9	Very low	32.8	Very low	138 Å²	138	127.4 Å²	127.4	85%	0.847	73%	0.733	S	S	*	*			trans	-171	98.5	147	8.7	0	0	0	0	108.9
657	I	31.2	Very low	31.6	Very low	163 Å²	163	130 Å²	130	84%	0.836	75%	0.747	S	S	*	*			trans	-164.7	96.9	130.4	-81.3	140.2	0	0	0	105.5
658	T	24.7	Very low	30.7	Very low	135 Å²	135	130.3 Å²	130.3	83%	0.828	76%	0.757	S	S	*	*			trans	-88.9	130.3	151.7	45.9	0	0	0	0	108.1
659	P	30.5	Very low	29.8	Very low	111 Å²	111	133.4 Å²	133.4	72%	0.721	77%	0.773	S	S	*	*			trans	-105.6	126	147	26.2	-11.5	0	0	0	109.4
660	T	26	Very low	28.9	Very low	143 Å²	143	132.8 Å²	132.8	88%	0.877	79%	0.785	S	S	*	*			trans	-46.7	139.3	171.3	47.7	0	0	0	0	114
661	G	30.3	Very low	28.4	Very low	70 Å²	70	137.1 Å²	137.1	72%	0.722	80%	0.795	S	S	*	*			trans	-179.4	63	174.3	0	0	0	0	0	116.1
662	V	27.8	Very low	28.1	Very low	139 Å²	139	136.2 Å²	136.2	84%	0.842	80%	0.799	S	S	*	*			trans	36	135.2	143.6	-145.5	0	0	0	0	121.6
663	V	29.8	Very low	27.7	Very low	108 Å²	108	138.6 Å²	138.6	66%	0.655	81%	0.806	S	S	*	*			trans	105.6	103.2	144.2	-164.8	0	0	0	0	118.4
664	N	30.6	Very low	27.6	Very low	152 Å²	152	141.4 Å²	141.4	81%	0.813	81%	0.811	S	S	*	*			trans	96.8	134.1	137.2	-66.5	-1.4	0	0	0	123.9
665	E	23.8	Very low	27.6	Very low	179 Å²	179	143.9 Å²	143.9	84%	0.836	81%	0.813	S	S	*	*			trans	-67.3	150.5	177.2	-58.8	170.2	145.2	0	0	113.6
666	E	29	Very low	27.7	Very low	170 Å²	170	142.8 Å²	142.8	79%	0.794	81%	0.807	S	S	*	*				168.4	122.1	113.8	-89.3	-170.6	-179.8	0	0	112.3
667	N	27.7	Very low	27.7	Very low	141 Å²	141	144.3 Å²	144.3	75%	0.754	81%	0.809	S	S	*	*			trans	40.7	116.8	136.3	-63.4	-27.5	0	0	0	121.8
668	S	28.8	Very low	27.4	Very low	105 Å²	105	140.3 Å²	140.3	73%	0.734	80%	0.795	S	S	*	*				145.7	128.9	98.8	64.7	0	0	0	0	115.7
669	L	24.4	Very low	27.6	Very low	169 Å²	169	139.4 Å²	139.4	89%	0.885	79%	0.794	S	S	*	*			trans	51.1	119.1	136.3	-75.3	147.5	0	0	0	121.7
670	G	29	Very low	27.6	Very low	80 Å²	80	140.6 Å²	140.6	83%	0.825	80%	0.799	S	S	*	*			trans	179.1	101.6	155.6	0	0	0	0	0	113.1
671	Q	25.7	Very low	27.6	Very low	186 Å²	186	142 Å²	142	87%	0.869	80%	0.798	S	S	*	*			trans	-74.9	146.8	-176.4	-66.5	163	-31.1	0	0	114.2
672	S	29.4	Very low	27.4	Very low	113 Å²	113	147.2 Å²	147.2	79%	0.79	80%	0.803	S	S	*	*			trans	-175.1	98.9	130.6	48.8	0	0	0	0	107.8
673	E	23.7	Very low	27.4	Very low	180 Å²	180	146.9 Å²	146.9	84%	0.841	81%	0.806	S	S	*	*				44.9	102.7	98.1	-78.6	-171.7	167	0	0	115
674	F	28.6	Very low	27.1	Very low	213 Å²	213	148.4 Å²	148.4	93%	0.934	81%	0.81	S	S	*	*				-157.1	145.5	125.9	-101.1	-72.4	0	0	0	110.8
675	M	27.6	Very low	27	Very low	168 Å²	168	148.1 Å²	148.1	83%	0.828	81%	0.809	S	S	*	*			trans	-83.1	143.9	-148.8	-61.6	-169.1	-160.6	0	0	116.9
676	N	25.2	Very low	27.2	Very low	135 Å²	135	146 Å²	146	72%	0.722	80%	0.803	S	S	*	*			trans	-18.5	120.9	137.9	-161.1	2.4	0	0	0	115.8	S678	N676-S678 PolarHBondContact OD1-OG 2.86Å
677	I	28.4	Very low	27.3	Very low	171 Å²	171	143.4 Å²	143.4	88%	0.877	80%	0.804	S	S	*	*			trans	-119.6	96.2	155	-57.4	177	0	0	0	107.3
678	S	24.9	Very low	27.2	Very low	79 Å²	79	143.4 Å²	143.4	55%	0.552	80%	0.803	S	S	*	*			trans	-121.5	138.4	156.9	44.9	0	0	0	0	107.8	N676	N676-S678 PolarHBondContact OD1-OG 2.86Å
679	S	28	Very low	27.2	Very low	116 Å²	116	144.1 Å²	144.1	81%	0.811	80%	0.803	S	S	*	*			trans	86.3	104.6	166.8	70.4	0	0	0	0	120.8
680	V	30.5	Very low	27.2	Very low	136 Å²	136	143 Å²	143	82%	0.824	80%	0.798	S	S	*	*			trans	-152.2	121.8	135.6	-178	0	0	0	0	104.1
681	M	26.5	Very low	27.1	Very low	173 Å²	173	144.3 Å²	144.3	85%	0.852	79%	0.794	S	S	*	*			cis	-152.9	139	17.5	-149.7	132	169.6	0	0	108.5
682	Q	25.8	Very low	27.1	Very low	178 Å²	178	140 Å²	140	83%	0.832	78%	0.784	S	S	*	*			trans	-73.5	133.5	163.6	-76.9	163.5	-30.3	0	0	109.9
683	C	27.3	Very low	26.8	Very low	132 Å²	132	142 Å²	142	89%	0.892	78%	0.784	S	S	*	*			trans	-129.8	100.5	137.9	-80.9	0	0	0	0	106.5
684	N	24.8	Very low	26.9	Very low	140 Å²	140	142 Å²	142	75%	0.749	79%	0.787	S	S	*	*			trans	-94.3	131.8	159.4	-103.7	-2.5	0	0	0	106.6
685	D	27.8	Very low	26.7	Very low	147 Å²	147	139.8 Å²	139.8	79%	0.786	78%	0.784	S	S	*	*			trans	-150.9	108	131.8	-92.7	-30.6	0	0	0	108.6
686	N	28.8	Very low	26.6	Very low	133 Å²	133	135.4 Å²	135.4	71%	0.711	78%	0.782	S	S	*	*			trans	41	112.5	139	-53.3	-34.2	0	0	0	117.2
687	S	30	Very low	26.5	Very low	117 Å²	117	138.1 Å²	138.1	82%	0.818	79%	0.791	S	S	*	*				-151.5	126.6	67.4	57.8	0	0	0	0	114.3
688	L	25.6	Very low	26.4	Very low	141 Å²	141	138.6 Å²	138.6	74%	0.738	79%	0.791	S	S	*	*			trans	-47	151.1	152.8	-81.8	73.1	0	0	0	110.4
689	T	29.4	Very low	26.3	Very low	120 Å²	120	139.3 Å²	139.3	74%	0.736	80%	0.797	S	S	*	*				-163.8	123.9	59.5	41.6	0	0	0	0	109.4
690	N	25.2	Very low	26.3	Very low	145 Å²	145	140.7 Å²	140.7	78%	0.775	79%	0.794	S	S	*	*				63.8	114.5	98	-94	3	0	0	0	117.4
691	C	26.4	Very low	26.1	Very low	108 Å²	108	140.9 Å²	140.9	73%	0.73	79%	0.79	S	S	*	*				137.4	97.2	124.3	-81.7	0	0	0	0	111.1
692	S	24.6	Very low	26	Very low	94 Å²	94	140.4 Å²	140.4	66%	0.657	79%	0.789	S	S	*	*				67.9	106.3	81.6	69.1	0	0	0	0	114.5
693	I	23.6	Very low	26.1	Very low	157 Å²	157	138.3 Å²	138.3	81%	0.805	79%	0.789	S	S	*	*			trans	55.5	117.1	137.1	-51.2	169.7	0	0	0	116.7
694	M	25.9	Very low	26.1	Very low	180 Å²	180	139.8 Å²	139.8	89%	0.887	79%	0.788	S	S	*	*				-170.4	131.4	127.8	-96.1	-73.6	-165.7	0	0	109.6
695	N	24.3	Very low	26.1	Very low	165 Å²	165	136.4 Å²	136.4	88%	0.882	79%	0.786	S	S	*	*			trans	-62.9	147.6	169.2	-65.9	-33	0	0	0	110.9
696	G	26.3	Very low	26	Very low	77 Å²	77	136 Å²	136	79%	0.794	79%	0.789	S	S	*	*			trans	177.4	104.1	168.2	0	0	0	0	0	112.1
697	E	22.5	Very low	26	Very low	192 Å²	192	135.2 Å²	135.2	90%	0.897	79%	0.794	S	S	*	*			trans	-57.1	138.1	163.6	-61.5	173.8	148.1	0	0	110.7
698	M	26.2	Very low	25.8	Very low	180 Å²	180	136.9 Å²	136.9	89%	0.887	79%	0.794	S	S	*	*				-172.2	130.3	126.8	-140.8	161	-79.4	0	0	111.8
699	S	22.5	Very low	25.9	Very low	95 Å²	95	136.4 Å²	136.4	66%	0.664	80%	0.797	S	S	*	*			trans	-57.5	151.9	160.5	-179.1	0	0	0	0	112
700	L	28.7	Very low	25.8	Very low	145 Å²	145	135.5 Å²	135.5	76%	0.759	80%	0.796	S	S	*	*			trans	178.8	114.2	134.5	-96.9	149.9	0	0	0	112.9
701	D	26.4	Very low	26	Very low	139 Å²	139	134.8 Å²	134.8	74%	0.743	80%	0.797	S	S	*	*			trans	33.1	130.7	132.8	-63.6	-29.9	0	0	0	122.8
702	I	24.1	Very low	26	Very low	163 Å²	163	136.2 Å²	136.2	84%	0.836	80%	0.795	S	S	*	*			trans	-92.5	115.7	168.9	-62.4	167.9	0	0	0	108.6
703	T	27.9	Very low	26.1	Very low	134 Å²	134	142.3 Å²	142.3	82%	0.822	80%	0.804	S	S	*	*			trans	-150	118.3	148.4	44	0	0	0	0	112.7
704	N	26.6	Very low	26.1	Very low	163 Å²	163	139.2 Å²	139.2	87%	0.872	80%	0.796	S	S	*	*			trans	14.5	136.8	149.4	-65.7	-18.4	0	0	0	124.7
705	G	25.6	Very low	26.3	Very low	69 Å²	69	142.2 Å²	142.2	71%	0.711	80%	0.799	S	S	*	*				108.8	142.8	129.9	0	0	0	0	0	115.9
706	T	25.5	Very low	26.3	Very low	139 Å²	139	142.9 Å²	142.9	85%	0.853	80%	0.797	S	S	*	*			cis	-173.2	156	-0.6	32.8	0	0	0	0	107.6
707	S	29.4	Very low	26.4	Very low	116 Å²	116	145 Å²	145	81%	0.811	80%	0.799	S	S	*	*			trans	153.7	142.7	144.1	50.4	0	0	0	0	110.2
708	D	25.1	Very low	26.6	Very low	152 Å²	152	142.7 Å²	142.7	81%	0.813	79%	0.792	S	S	*	*			cis	-170.7	178.4	-26.6	-135	-27	0	0	0	106.7
709	T	28.3	Very low	26.8	Very low	132 Å²	132	140.8 Å²	140.8	81%	0.81	79%	0.786	S	S	*	*			trans	101.3	126.1	176.7	70.9	0	0	0	0	114.5
710	S	27.5	Very low	27.1	Very low	100 Å²	100	142.3 Å²	142.3	70%	0.699	79%	0.787	S	S	*	*			cis	-172.3	133.9	5.5	50.1	0	0	0	0	111.3
711	V	27.9	Very low	27.4	Very low	131 Å²	131	141.8 Å²	141.8	79%	0.794	79%	0.785	S	S	*	*				88.1	126.9	124.7	-177.5	0	0	0	0	120.7
712	I	27.5	Very low	27.7	Very low	138 Å²	138	142 Å²	142	71%	0.708	79%	0.786	S	S	*	*			trans	120.6	100.4	146.3	-51.6	-166.3	0	0	0	119.1
713	R	26.9	Very low	28.1	Very low	222 Å²	222	139.3 Å²	139.3	84%	0.838	78%	0.78	S	S	*	*			trans	73.6	98.1	138.2	-69.6	174.7	-173.9	178.6	1.1	123.2
714	S	24	Very low	28.2	Very low	91 Å²	91	140.2 Å²	140.2	64%	0.636	78%	0.78	S	S	*	*				31.8	121.4	110.8	63.2	0	0	0	0	121.4
715	Y	28.2	Very low	28.8	Very low	243 Å²	243	137.2 Å²	137.2	95%	0.953	77%	0.769	S	S	*	*				-145.2	125	126.1	-87.4	-76.5	0	0	0	109.8
716	E	25.1	Very low	29.2	Very low	179 Å²	179	140.9 Å²	140.9	84%	0.836	77%	0.772	S	S	*	*			trans	-82.1	154	170.5	-67.9	169.8	139.9	0	0	110.9
717	C	29	Very low	29.5	Very low	123 Å²	123	140.3 Å²	140.3	83%	0.831	76%	0.764	S	S	*	*				174.1	125.4	115.9	-94.2	0	0	0	0	113.9
718	N	26.3	Very low	29.7	Very low	143 Å²	143	140.9 Å²	140.9	77%	0.765	76%	0.758	S	S	*	*			trans	-28.9	150.3	163.2	-61.6	-28.1	0	0	0	119.8
719	N	30.9	Very low	29.8	Very low	139 Å²	139	140.8 Å²	140.8	74%	0.743	76%	0.758	S	S	*	*				178.6	119.2	106.4	-89	-22.7	0	0	0	114.1
720	N	28.8	Very low	30.1	Very low	128 Å²	128	140.4 Å²	140.4	68%	0.684	76%	0.76	S	S	*	*				46.6	126.4	128.6	-53	-14.7	0	0	0	123.1
721	N	34.7	Very low	30.1	Very low	134 Å²	134	143.7 Å²	143.7	72%	0.717	77%	0.77	S	S	*	*				154.4	110.5	124.2	-78.8	-2.1	0	0	0	109.1
722	D	31.4	Very low	30.3	Very low	143 Å²	143	142 Å²	142	77%	0.765	77%	0.77	S	S	*	*				79	129.8	96.1	-75	-14.6	0	0	0	111.8
723	C	32.8	Very low	30.3	Very low	106 Å²	106	142.9 Å²	142.9	72%	0.716	78%	0.776	S	S	*	*			cis	-155.3	149.8	13.8	-73.5	0	0	0	0	111.3
724	D	31.3	Very low	30.5	Very low	154 Å²	154	139.1 Å²	139.1	82%	0.824	77%	0.772	S	S	*	*			trans	50.7	135.7	138	-64.5	-33.2	0	0	0	126.6
725	P	38.9	Very low	30.8	Very low	100 Å²	100	142.9 Å²	142.9	65%	0.649	78%	0.779	S	S	*	*			trans	-103.5	165.5	166.1	40.5	-31	0	0	0	113.4
726	D	32.9	Very low	30.7	Very low	145 Å²	145	137.8 Å²	137.8	78%	0.775	77%	0.768	S	S	*	*				159.9	137	129.4	-85.1	-18	0	0	0	116
727	N	32.7	Very low	30.7	Very low	128 Å²	128	135.6 Å²	135.6	68%	0.684	76%	0.762	S	S	*	*			trans	87.1	115.4	136.7	-97.4	-15.2	0	0	0	125.6
728	N	32.6	Very low	30.7	Very low	127 Å²	127	134.8 Å²	134.8	68%	0.679	76%	0.757	S	S	*	*				87.4	105.5	124	-72.3	-20.9	0	0	0	123.5
729	N	29	Very low	30.7	Very low	150 Å²	150	135.5 Å²	135.5	80%	0.802	76%	0.76	S	S	*	*				34.1	119.9	122.5	-84.1	-12.3	0	0	0	120.7
730	S	34.4	Very low	30.5	Very low	124 Å²	124	136.2 Å²	136.2	87%	0.867	76%	0.763	S	S	*	*				172.1	148.4	105.2	40.8	0	0	0	0	113.2
731	N	27.3	Very low	30.3	Very low	170 Å²	170	140 Å²	140	91%	0.909	77%	0.774	S	S	*	*			trans	-71.8	148.3	-170.5	-66	-38.2	0	0	0	115.2
732	A	32.2	Very low	29.9	Very low	95 Å²	95	139.8 Å²	139.8	79%	0.785	78%	0.778	S	S	*	*			trans	-178.6	104.9	132.2	0	0	0	0	0	112.9
733	D	27.6	Very low	29.5	Very low	156 Å²	156	138.6 Å²	138.6	83%	0.834	78%	0.776	S	S	*	*			trans	25.1	113.8	132.1	-76.3	-17.4	0	0	0	122.1
734	L	31	Very low	29	Very low	144 Å²	144	139.6 Å²	139.6	75%	0.754	78%	0.779	S	S	*	*				152.9	123.4	111.1	-84.9	168.4	0	0	0	113.8
735	Q	29.4	Very low	28.6	Very low	170 Å²	170	138.5 Å²	138.5	79%	0.794	78%	0.778	S	S	*	*			trans	55.6	132	146.7	-64.9	176.9	-6	0	0	118.1
736	L	25.5	Very low	27.9	Very low	136 Å²	136	141.8 Å²	141.8	71%	0.712	79%	0.785	S	S	*	*			cis	-172.1	145.4	35.7	-163.1	82.2	0	0	0	108.6
737	D	25.6	Very low	27.5	Very low	133 Å²	133	142.6 Å²	142.6	71%	0.711	79%	0.788	S	S	*	*			trans	52.2	110.8	151.7	-65.7	-16.9	0	0	0	122.3
738	S	29.6	Very low	27	Very low	105 Å²	105	143.8 Å²	143.8	73%	0.734	79%	0.794	S	S	*	*				147.4	123.6	97.4	58.9	0	0	0	0	114.1
739	L	25.6	Very low	26.8	Very low	158 Å²	158	144.6 Å²	144.6	83%	0.827	80%	0.797	S	S	*	*			trans	57.6	99.5	141.9	-80.4	141.2	0	0	0	120.2
740	L	28.3	Very low	26.5	Very low	154 Å²	154	145.2 Å²	145.2	81%	0.806	80%	0.8	S	S	*	*				161.4	106	113.4	-89.2	153.3	0	0	0	110.8
741	K	24.6	Very low	26	Very low	207 Å²	207	143.6 Å²	143.6	90%	0.9	79%	0.789	S	S	*	*			trans	-140.2	109.5	155.4	-102.2	-176.8	-179.7	179.5	0	109.3
742	T	25.3	Very low	26	Very low	131 Å²	131	142.7 Å²	142.7	80%	0.804	78%	0.784	S	S	*	*			trans	-105.4	111.5	161.8	25.7	0	0	0	0	107.8
743	T	22.5	Very low	25.8	Very low	117 Å²	117	143.5 Å²	143.5	72%	0.718	78%	0.779	S	S	*	*			trans	-149	115.2	153.4	38	0	0	0	0	108.3
744	T	22.9	Very low	25.6	Very low	128 Å²	128	141.5 Å²	141.5	79%	0.785	77%	0.765	S	S	*	*			trans	30	120.2	135.8	33.2	0	0	0	0	118.4
745	T	22.8	Very low	25.5	Very low	130 Å²	130	141.7 Å²	141.7	80%	0.798	77%	0.765	S	S	*	*				-173.2	143.6	128	28.3	0	0	0	0	111.4
746	Q	23.5	Very low	25.3	Very low	170 Å²	170	142 Å²	142	79%	0.794	77%	0.771	S	S	*	*			trans	36.1	120.2	145	-116.7	71.1	4.6	0	0	120.4
747	L	25.4	Very low	25.4	Very low	162 Å²	162	137.3 Å²	137.3	85%	0.848	76%	0.756	S	S	*	*			trans	-134.5	91.4	153.9	-75	174.3	0	0	0	109.6
748	D	21.3	Very low	25.3	Very low	152 Å²	152	138.3 Å²	138.3	81%	0.813	76%	0.761	S	S	*	*				-90.3	131.4	126.1	-83	-39.7	0	0	0	105.2
749	I	29.1	Very low	25.2	Very low	145 Å²	145	141.9 Å²	141.9	74%	0.744	76%	0.764	S	S	*	*			trans	-177.9	117.2	149.4	-88.3	145.1	0	0	0	107.8
750	D	22.6	Very low	25.1	Very low	163 Å²	163	140.7 Å²	140.7	87%	0.872	76%	0.758	S	S	*	*			trans	-52.8	126.3	158.5	-76.6	-50.7	0	0	0	111.4
751	S	23.4	Very low	25	Very low	90 Å²	90	139 Å²	139	63%	0.629	76%	0.758	S	S	*	*			trans	152.6	125.9	150	45.1	0	0	0	0	108.6
752	N	28.2	Very low	25	Very low	150 Å²	150	134.8 Å²	134.8	80%	0.802	75%	0.75	S	S	*	*			trans	174.5	93.5	144.9	-84.1	-32.1	0	0	0	108.2
753	V	27.5	Very low	25	Very low	113 Å²	113	134.5 Å²	134.5	69%	0.685	75%	0.748	S	S	*	*				72.9	99.5	96.8	175.5	0	0	0	0	111.2	I755	V753-I755 HydrophobicContact CG1-CG1 4.2Å; V753-I755 PolarHBondContact O-N 2.99Å
754	E	24.3	Very low	25	Very low	113 Å²	113	137.1 Å²	137.1	53%	0.528	76%	0.756	S	S	.	*			trans	-56.6	101.2	164.3	-74.9	173.1	134.2	0	0	109.9	S447 L756	S447-E754 WeakPolarHBondContact CB-OE2 3.41Å; S447-E754 PolarHBondContact OG-OE2 2.9Å; E754-L756 PolarHBondContact O-N 2.94Å
755	I	29	Very low	25.2	Very low	149 Å²	149	136.1 Å²	136.1	76%	0.764	75%	0.754	S	S	*	*			trans	-89.3	88.6	161.1	-59.2	179.6	0	0	0	106.9	V753 G757	V753-I755 HydrophobicContact CG1-CG1 4.2Å; V753-I755 PolarHBondContact O-N 2.99Å; I755-G757 PolarHBondContact O-N 3.19Å
756	L	25.1	Very low	25.3	Very low	175 Å²	175	135.3 Å²	135.3	92%	0.916	75%	0.749	S	S	*	*			trans	-76	71	159	-127.1	132.5	0	0	0	107.5	E754	E754-L756 PolarHBondContact O-N 2.94Å
757	G	25.9	Very low	25.4	Very low	38 Å²	38	134.5 Å²	134.5	39%	0.392	75%	0.75	S	S	.	*			trans	-115.7	106.4	177.2	0	0	0	0	0	109.9	I755 F759	I755-G757 PolarHBondContact O-N 3.19Å; G757-F759 PolarHBondContact O-N 3.02Å
758	N	25.2	Very low	25.6	Very low	154 Å²	154	132 Å²	132	82%	0.824	74%	0.743	S	S	*	*			trans	29.5	81.3	154.6	-76.2	-13.5	0	0	0	117.5
759	F	27.1	Very low	25.8	Very low	181 Å²	181	130.5 Å²	130.5	79%	0.794	74%	0.74	S	S	*	*			trans	-100.6	89.8	145.6	-79.2	-78.7	0	0	0	109	G757 C761	G757-F759 PolarHBondContact O-N 3.02Å; F759-C761 PolarHBondContact O-N 3.49Å
760	N	23.8	Very low	25.6	Very low	132 Å²	132	130.9 Å²	130.9	71%	0.706	74%	0.738	S	S	*	*			trans	-61.8	94.2	146.9	-84.3	-24.5	0	0	0	106.7	T762	N760-T762 PolarHBondContact O-N 3.46Å
761	C	24.7	Very low	25.7	Very low	119 Å²	119	132.9 Å²	132.9	80%	0.804	74%	0.742	S	S	*	*			trans	-67	90.8	160.4	-74.5	0	0	0	0	107.7	F759 T763	F759-C761 PolarHBondContact O-N 3.49Å; C761-T763 PolarHBondContact O-N 3.3Å
762	T	24.9	Very low	25.8	Very low	118 Å²	118	133.6 Å²	133.6	72%	0.724	74%	0.743	S	S	*	*			trans	-62	117.3	159.2	39.1	0	0	0	0	108.6	N760 I764	N760-T762 PolarHBondContact O-N 3.46Å; T762-I764 PolarHBondContact O-N 3.27Å
763	T	25.1	Very low	25.7	Very low	125 Å²	125	131 Å²	131	77%	0.767	74%	0.737	S	S	*	*			trans	4	111.6	149.4	45.8	0	0	0	0	116.1	C761 S765	C761-T763 PolarHBondContact O-N 3.3Å; T763-S765 PolarHBondContact O-N 3.35Å; T763-S765 VanDerWaalsContact O-N 3.15Å
764	I	24.1	Very low	25.6	Very low	172 Å²	172	132.4 Å²	132.4	88%	0.882	75%	0.745	S	S	*	*			trans	-65.9	106	155.3	-63.3	169.4	0	0	0	106.2	T762	T762-I764 PolarHBondContact O-N 3.27Å
765	S	25.7	Very low	25.6	Very low	107 Å²	107	130.7 Å²	130.7	75%	0.748	75%	0.751	S	S	*	*			trans	-116.3	113.7	164.9	176	0	0	0	0	107.1	T763 N767	T763-S765 PolarHBondContact O-N 3.35Å; T763-S765 VanDerWaalsContact O-N 3.15Å; S765-N767 PolarHBondContact O-N 3.02Å
766	T	25.1	Very low	25.5	Very low	114 Å²	114	133.8 Å²	133.8	70%	0.699	76%	0.755	S	S	*	*			trans	-66.6	117.6	172.1	48.1	0	0	0	0	110.9
767	N	25.6	Very low	25.6	Very low	153 Å²	153	132.3 Å²	132.3	82%	0.818	75%	0.747	S	S	*	*				156.8	155.9	115.8	-92.6	-11.9	0	0	0	114.3	S765	S765-N767 PolarHBondContact O-N 3.02Å
768	P	30.6	Very low	25.6	Very low	108 Å²	108	134.6 Å²	134.6	70%	0.701	76%	0.757	S	S	*	*			trans	-110	-179.4	-149.1	35	-20.5	0	0	0	114.3
769	V	24.4	Very low	25.6	Very low	121 Å²	121	134.3 Å²	134.3	73%	0.733	76%	0.755	S	S	*	*			trans	119.3	110.3	152.5	-179.7	0	0	0	0	115.8
770	H	24.8	Very low	25.7	Very low	154 Å²	154	135.1 Å²	135.1	71%	0.713	76%	0.758	S	S	*	*			trans	44.7	119.3	143	-78.4	-100.2	0	0	0	121.2
771	E	26.2	Very low	25.8	Very low	204 Å²	204	137.1 Å²	137.1	95%	0.953	76%	0.764	S	S	*	*			trans	-113.7	112.7	134.8	-81.9	-175.6	163.2	0	0	109.8
772	T	24.5	Very low	25.7	Very low	106 Å²	106	137.1 Å²	137.1	65%	0.65	77%	0.765	S	S	*	*			trans	-96.6	134.2	152.2	43.5	0	0	0	0	105.8
773	S	25.5	Very low	25.9	Very low	96 Å²	96	138.4 Å²	138.4	67%	0.671	77%	0.766	S	S	*	*				-178.6	126.7	80.5	-62.1	0	0	0	0	109.7
774	T	25	Very low	25.8	Very low	141 Å²	141	139.6 Å²	139.6	87%	0.865	77%	0.767	S	S	*	*				55.7	138.3	113	69.1	0	0	0	0	116.7
775	A	26	Very low	26.1	Very low	78 Å²	78	140.1 Å²	140.1	65%	0.645	76%	0.763	S	S	*	*			cis	-157	152.7	35.7	0	0	0	0	0	109.6
776	Y	25.5	Very low	26.1	Very low	214 Å²	214	141.4 Å²	141.4	84%	0.839	76%	0.762	S	S	*	*				-151.1	123.2	78.9	-94.1	-97.3	0	0	0	108.6
777	L	27.7	Very low	26.1	Very low	143 Å²	143	142.6 Å²	142.6	75%	0.749	76%	0.764	S	S	*	*				49.1	129.3	92.9	-77.3	162	0	0	0	113.1
778	S	25.1	Very low	26.1	Very low	86 Å²	86	143.4 Å²	143.4	60%	0.601	76%	0.76	S	S	*	*			cis	-179	139.4	3.9	32.5	0	0	0	0	104.1
779	D	26.1	Very low	25.8	Very low	149 Å²	149	147.3 Å²	147.3	80%	0.797	77%	0.766	S	S	*	*				169	128	94	-85.3	-38.5	0	0	0	108.3
780	K	28.5	Very low	25.7	Very low	197 Å²	197	150 Å²	150	86%	0.857	78%	0.775	S	S	*	*			trans	-179.7	91.8	130.4	-99.3	-179.2	-178.2	-175.2	0	110.4
781	E	26.6	Very low	25.6	Very low	175 Å²	175	149.4 Å²	149.4	82%	0.818	78%	0.777	S	S	*	*			trans	40.1	120	135.3	-66.6	178.7	149.4	0	0	120.6
782	S	22.6	Very low	25.7	Very low	118 Å²	118	148.9 Å²	148.9	83%	0.825	77%	0.771	S	S	*	*			trans	-100.1	136.7	146.4	51.6	0	0	0	0	108.8
783	I	29.3	Very low	25.7	Very low	145 Å²	145	150.9 Å²	150.9	74%	0.744	78%	0.778	S	S	*	*			trans	-131.9	120.3	161.3	-71.2	179.5	0	0	0	108
784	N	23.5	Very low	25.8	Very low	150 Å²	150	153.8 Å²	153.8	80%	0.802	78%	0.781	S	S	*	*			trans	-54.3	144	162	-80.5	-34.6	0	0	0	112
785	K	30.3	Very low	25.8	Very low	184 Å²	184	155 Å²	155	80%	0.8	78%	0.782	S	S	*	*			trans	-171	114	134.6	-104.7	167.5	-173	-175.6	0	111.4
786	D	25.8	Very low	25.9	Very low	134 Å²	134	160.3 Å²	160.3	72%	0.717	79%	0.787	S	S	*	*				48.6	125	128	-52.2	-26.8	0	0	0	121.2
787	D	23.9	Very low	25.9	Very low	138 Å²	138	153.7 Å²	153.7	74%	0.738	78%	0.776	S	S	*	*			trans	79	117.1	132.8	-81	-9.5	0	0	0	121.4
788	K	25.5	Very low	25.9	Very low	171 Å²	171	154.4 Å²	154.4	74%	0.743	78%	0.779	S	S	*	*			trans	100.3	132.4	136.6	-73.9	170.8	178.3	170.3	0	119.3
789	F	24.4	Very low	25.7	Very low	190 Å²	190	159.3 Å²	159.3	83%	0.833	80%	0.795	S	S	*	*			trans	84.6	85.5	163.9	-64.5	-74.8	0	0	0	117.9
790	I	22.9	Very low	25.7	Very low	177 Å²	177	161.1 Å²	161.1	91%	0.908	80%	0.798	S	S	*	*			trans	-118.6	102.8	139.5	-62.9	178.2	0	0	0	107.2
791	N	23.7	Very low	25.5	Very low	141 Å²	141	161 Å²	161	75%	0.754	80%	0.798	S	S	*	*			trans	-159.4	148.2	154	-148.1	-12.4	0	0	0	110.4
792	K	28	Very low	25.4	Very low	194 Å²	194	164.6 Å²	164.6	84%	0.843	80%	0.804	S	S	*	*			trans	95.5	86.6	-172.7	-59.6	-175	177.4	-175.9	0	112.8
793	N	23.6	Very low	25.5	Very low	147 Å²	147	164 Å²	164	79%	0.786	80%	0.8	S	S	*	*				46.1	108.8	66.5	-98	8.5	0	0	0	113.4
794	E	27	Very low	25.6	Very low	158 Å²	158	165.5 Å²	165.5	74%	0.738	80%	0.801	S	S	*	*				-148.4	101.3	129.5	-71.7	-159	155.5	0	0	109.6
795	N	25.7	Very low	25.8	Very low	165 Å²	165	165.8 Å²	165.8	88%	0.882	80%	0.797	S	S	*	*			trans	-118.5	111.8	150.6	-97.1	-19.4	0	0	0	105.8
796	Y	27.8	Very low	25.7	Very low	191 Å²	191	165.5 Å²	165.5	75%	0.749	80%	0.799	S	S	*	*			trans	-76.8	149.2	164.8	-79.4	-93.9	0	0	0	108.2
797	A	26.7	Very low	25.8	Very low	75 Å²	75	168.2 Å²	168.2	62%	0.62	81%	0.808	S	S	*	*			cis	-165.2	141.3	6.7	0	0	0	0	0	109.7
798	I	27.1	Very low	26.1	Very low	158 Å²	158	170.6 Å²	170.6	81%	0.81	81%	0.811	S	S	*	*			trans	63.4	97.5	136.3	-54.3	164.2	0	0	0	117.4
799	M	21.9	Very low	26	Very low	189 Å²	189	168.6 Å²	168.6	93%	0.931	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-82.7	126.5	151.5	-84	-122.9	-102.6	0	0	110.5
800	E	24.8	Very low	26	Very low	186 Å²	186	165.2 Å²	165.2	87%	0.869	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-85.4	127.9	163.2	-156.7	172.9	-161.8	0	0	109.2
801	K	23.6	Very low	26.2	Very low	194 Å²	194	163.5 Å²	163.5	84%	0.843	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-70.8	130.7	178.5	-78.6	173.8	171	175.6	0	111.1
802	R	25.2	Very low	26.1	Very low	252 Å²	252	164.9 Å²	164.9	95%	0.951	80%	0.804	S	S	*	*			trans	-142.9	105.7	138	-111.3	-179.1	-172	-177.9	3.7	110.3
803	S	23.9	Very low	26.1	Very low	105 Å²	105	161.5 Å²	161.5	73%	0.734	80%	0.799	S	S	*	*			trans	-90	140.5	164.4	32.6	0	0	0	0	109.8
804	K	31.4	Very low	26.2	Very low	177 Å²	177	160 Å²	160	77%	0.77	80%	0.795	S	S	*	*			trans	-167.5	108.7	144.6	-99.1	-176	-178.2	-160.7	0	107.8
805	E	29.5	Very low	26	Very low	155 Å²	155	160.1 Å²	160.1	72%	0.724	80%	0.795	S	S	*	*				86.4	95.1	108.7	-78.1	170	168.8	0	0	110.9
806	E	28.3	Very low	26	Very low	179 Å²	179	160.8 Å²	160.8	84%	0.836	79%	0.793	S	S	*	*				75.9	102.3	86.4	-79.8	-166.4	163.7	0	0	113.5
807	E	28	Very low	25.8	Very low	191 Å²	191	159.1 Å²	159.1	89%	0.893	79%	0.792	S	S	*	*			trans	-144.9	110.2	132.5	-134	174.6	-166.4	0	0	109.4
808	K	28.7	Very low	25.8	Very low	188 Å²	188	164.3 Å²	164.3	82%	0.817	80%	0.804	S	S	*	*			trans	-79.6	118.7	169	-91.9	172.4	172.4	168.9	0	107.8
809	T	24.6	Very low	25.8	Very low	129 Å²	129	162.2 Å²	162.2	79%	0.791	80%	0.8	S	S	*	*			trans	-117.8	104.3	150.9	0.1	0	0	0	0	108.3	I811	T809-I811 PolarHBondContact O-N 3.46Å
810	T	23.9	Very low	25.9	Very low	118 Å²	118	160.4 Å²	160.4	72%	0.724	79%	0.794	S	S	*	*			trans	-59.6	112.5	164.6	-61.8	0	0	0	0	109	M812	T810-M812 HydrophobicContact CG2-CG 4.27Å
811	I	26.5	Very low	25.9	Very low	142 Å²	142	159.8 Å²	159.8	73%	0.728	80%	0.796	S	S	*	*			trans	-118.6	108.4	152	-59.1	-178.1	0	0	0	106.1	T809 V813	T809-I811 PolarHBondContact O-N 3.46Å; I811-V813 HydrophobicContact CG2-CG2 3.73Å; I811-V813 PolarHBondContact O-N 2.99Å
812	M	22.2	Very low	26	Very low	169 Å²	169	158.4 Å²	158.4	83%	0.833	79%	0.792	S	S	*	*			trans	-70.7	115.8	159.8	-63.1	-171.7	-52	0	0	107.6	T810	T810-M812 HydrophobicContact CG2-CG 4.27Å
813	V	26.9	Very low	26.2	Very low	123 Å²	123	154.6 Å²	154.6	75%	0.745	79%	0.785	S	S	*	*			trans	-123.2	99.1	155.3	-177.8	0	0	0	0	107.3	I811	I811-V813 HydrophobicContact CG2-CG2 3.73Å; I811-V813 PolarHBondContact O-N 2.99Å
814	V	25.6	Very low	26.4	Very low	117 Å²	117	156.1 Å²	156.1	71%	0.709	78%	0.783	S	S	*	*			trans	31.4	107.2	140.1	-175	0	0	0	0	116.8	Q816	V814-Q816 PolarHBondContact O-N 3.11Å
815	E	23	Very low	26.3	Very low	159 Å²	159	153 Å²	153	74%	0.743	78%	0.784	S	S	*	*			trans	-48.9	122.7	145	-78.4	174.8	123.7	0	0	110.8
816	Q	25.3	Very low	26.2	Very low	180 Å²	180	149.3 Å²	149.3	84%	0.841	79%	0.787	S	S	*	*			trans	-106.1	90.1	142.4	-85.5	-170.6	-5.6	0	0	107.8	V814	V814-Q816 PolarHBondContact O-N 3.11Å
817	Q	25.5	Very low	26.2	Very low	155 Å²	155	146.4 Å²	146.4	72%	0.724	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-82.1	117.5	148	-74.6	-179	2.9	0	0	107.2
818	Q	25.5	Very low	26	Very low	185 Å²	185	146.7 Å²	146.7	86%	0.864	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-88.5	120.1	155.6	-84.4	-176.1	-16.4	0	0	107.9
819	P	27.8	Very low	26	Very low	113 Å²	113	146 Å²	146	73%	0.734	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-94.9	132.1	165.7	33.4	-25.7	0	0	0	110.6
820	L	24.4	Very low	25.9	Very low	152 Å²	152	145.1 Å²	145.1	80%	0.796	79%	0.786	S	S	*	*			trans	21.9	111.2	143	-73.1	157.3	0	0	0	118.4
821	L	24.7	Very low	26.2	Very low	173 Å²	173	147.2 Å²	147.2	91%	0.906	79%	0.791	S	S	*	*			trans	-119.5	103	144.1	-107.4	159.8	0	0	0	108
822	Q	25.3	Very low	26.3	Very low	165 Å²	165	143.6 Å²	143.6	77%	0.771	79%	0.789	S	S	*	*			trans	-110.7	118.6	160.1	-93.4	-171.4	-1.7	0	0	108.3
823	H	29.4	Very low	26.4	Very low	171 Å²	171	143.2 Å²	143.2	79%	0.792	79%	0.791	S	S	*	*			trans	177.6	128.1	159	-96.9	-68.9	0	0	0	103
824	I	28.9	Very low	26.5	Very low	137 Å²	137	145.4 Å²	145.4	70%	0.703	80%	0.797	S	S	*	*			cis	-165	137.9	24.9	-93.5	151.7	0	0	0	108.3
825	S	29.1	Very low	26.4	Very low	113 Å²	113	145.5 Å²	145.5	79%	0.79	80%	0.803	S	S	*	*			trans	47	121.7	149.6	73.9	0	0	0	0	123.2
826	G	26.7	Very low	26.8	Very low	77 Å²	77	142.6 Å²	142.6	79%	0.794	80%	0.8	S	S	*	*				105.4	94.8	108.2	0	0	0	0	0	117.7
827	S	27.8	Very low	26.8	Very low	117 Å²	117	139.7 Å²	139.7	82%	0.818	80%	0.799	S	S	*	*				-164.9	108.6	116.5	-151.5	0	0	0	0	110.8
828	F	24.1	Very low	26.7	Very low	197 Å²	197	137.3 Å²	137.3	86%	0.864	80%	0.799	S	S	*	*			trans	-73.7	133	156.9	-96.5	-99.6	0	0	0	108.4
829	M	28.1	Very low	27	Very low	175 Å²	175	133.8 Å²	133.8	86%	0.862	80%	0.795	S	S	*	*			trans	-141.4	101.4	143.3	-91.9	-153.2	-165.3	0	0	108.3
830	S	22.6	Very low	26.9	Very low	109 Å²	109	135.6 Å²	135.6	76%	0.762	80%	0.798	S	S	*	*			trans	-91.8	112	154.3	-73.1	0	0	0	0	108
831	I	30.7	Very low	27.1	Very low	162 Å²	162	136.5 Å²	136.5	83%	0.831	80%	0.803	S	S	*	*			trans	-152.8	125.9	153.8	-52.9	177.6	0	0	0	102.8
832	G	28.6	Very low	27.3	Very low	67 Å²	67	137.2 Å²	137.2	69%	0.691	80%	0.799	S	S	*	*			cis	172.4	141	5	0	0	0	0	0	104.5
833	N	24.8	Very low	27.5	Very low	161 Å²	161	136.9 Å²	136.9	86%	0.861	80%	0.797	S	S	*	*			trans	-47.8	140.2	173.2	-73.4	-29.3	0	0	0	112.2
834	L	28.6	Very low	27.5	Very low	168 Å²	168	135.4 Å²	135.4	88%	0.88	80%	0.795	S	S	*	*			trans	-170.5	103.7	140.1	-101.5	141.1	0	0	0	110.9
835	S	23.2	Very low	27.4	Very low	119 Å²	119	133.8 Å²	133.8	83%	0.832	79%	0.792	S	S	*	*			trans	-104.5	114.5	154.5	56.6	0	0	0	0	108.6
836	S	31.5	Very low	27.4	Very low	99 Å²	99	135.6 Å²	135.6	69%	0.692	79%	0.793	S	S	*	*			trans	-172	121.8	147.7	50	0	0	0	0	112.5
837	C	26.7	Very low	27.5	Very low	119 Å²	119	139.4 Å²	139.4	80%	0.804	79%	0.793	S	S	*	*			trans	26	118.1	137	-63.6	0	0	0	0	121.7
838	S	23.2	Very low	27.8	Very low	105 Å²	105	138.7 Å²	138.7	73%	0.734	79%	0.786	S	S	*	*				40.1	118.2	126.7	58	0	0	0	0	121
839	S	30.3	Very low	27.9	Very low	111 Å²	111	133.8 Å²	133.8	78%	0.776	78%	0.776	S	S	*	*				160.1	132.5	99.9	45	0	0	0	0	113.4
840	N	26.4	Very low	27.9	Very low	150 Å²	150	131.5 Å²	131.5	80%	0.802	77%	0.772	S	S	*	*			trans	24.1	126.2	153.1	-57.8	-21.2	0	0	0	121.7
841	L	28.9	Very low	28.3	Very low	172 Å²	172	135.2 Å²	135.2	90%	0.901	78%	0.775	S	S	*	*				-177.7	162.8	113	-100.6	145.7	0	0	0	112.5
842	F	28.1	Very low	28.3	Very low	187 Å²	187	133.7 Å²	133.7	82%	0.82	77%	0.768	S	S	*	*			trans	-87.3	173.2	-152.3	-106.6	-103.5	0	0	0	116.5
843	E	29.6	Very low	28.4	Very low	158 Å²	158	136.1 Å²	136.1	74%	0.738	77%	0.765	S	S	*	*			trans	83.9	106.9	153.3	-80.3	177.6	161	0	0	119
844	N	28.9	Very low	28.7	Very low	140 Å²	140	136.3 Å²	136.3	75%	0.749	76%	0.758	S	S	*	*				76.3	133.6	88.3	-81	-15.7	0	0	0	111.6
845	V	28	Very low	28.6	Very low	104 Å²	104	133 Å²	133	63%	0.63	75%	0.75	S	S	*	*			cis	-176.2	143.1	23.5	131.4	0	0	0	0	107.4
846	N	28.7	Very low	28.8	Very low	151 Å²	151	135.4 Å²	135.4	81%	0.807	75%	0.752	S	S	*	*			trans	150.2	116	136.8	-83.9	-37.2	0	0	0	115
847	I	29.3	Very low	28.5	Very low	157 Å²	157	137 Å²	137	81%	0.805	75%	0.753	S	S	*	*			trans	-125.1	140.7	151.3	-59.1	168.6	0	0	0	103.1
848	P	33.7	Very low	28.5	Very low	102 Å²	102	140.3 Å²	140.3	66%	0.662	75%	0.75	S	S	*	*				-160.2	156.6	89.2	41.6	-19.3	0	0	0	119.7
849	S	26.9	Very low	28.7	Very low	94 Å²	94	143.3 Å²	143.3	66%	0.657	76%	0.757	S	S	*	*			trans	59.7	145.7	134.1	65.9	0	0	0	0	119.7
850	T	27	Very low	28.5	Very low	127 Å²	127	143.8 Å²	143.8	78%	0.779	76%	0.756	S	S	*	*			cis	177.4	167.5	14.3	19.7	0	0	0	0	107.3
851	K	31.8	Very low	28.7	Very low	187 Å²	187	146.6 Å²	146.6	81%	0.813	76%	0.761	S	S	*	*			trans	125.8	141.8	159.3	-72.6	-172.1	177.6	179.9	0	111.1
852	D	30.2	Very low	28.6	Very low	130 Å²	130	143.3 Å²	143.3	70%	0.695	75%	0.752	S	S	*	*			cis	-170.8	159.7	-17	-96.6	-28.7	0	0	0	105
853	D	29.9	Very low	28.5	Very low	118 Å²	118	141.8 Å²	141.8	63%	0.631	75%	0.753	S	S	*	*			trans	82	110.3	149.3	-78.7	-10.5	0	0	0	123.7
854	K	31.1	Very low	29	Very low	164 Å²	164	139.5 Å²	139.5	71%	0.713	75%	0.751	S	S	*	*				89.1	108.8	119	-72.2	171.6	-173.8	143.6	0	122
855	S	26.1	Very low	29	Very low	100 Å²	100	139.9 Å²	139.9	70%	0.699	75%	0.752	S	S	*	*				60.4	120.3	126.9	67.4	0	0	0	0	120.8
856	L	28.9	Very low	29.1	Very low	169 Å²	169	143 Å²	143	89%	0.885	76%	0.76	S	S	*	*				-175.3	130.8	105.8	-102.9	141.5	0	0	0	110.3
857	N	24.5	Very low	29	Very low	132 Å²	132	141 Å²	141	71%	0.706	76%	0.758	S	S	*	*			trans	-132.2	149.7	171.8	-147.6	2.4	0	0	0	106.4
858	Y	27.4	Very low	29.1	Very low	188 Å²	188	138.9 Å²	138.9	74%	0.737	76%	0.757	S	S	*	*			trans	84.5	109.6	176.9	-59.9	-80.1	0	0	0	118
859	D	26.5	Very low	28.9	Very low	168 Å²	168	139.8 Å²	139.8	90%	0.898	76%	0.76	S	S	*	*				-143.5	120.1	128.1	-106.6	-28.9	0	0	0	110.5
860	T	26.5	Very low	29	Very low	122 Å²	122	142.3 Å²	142.3	75%	0.748	77%	0.766	S	S	*	*			trans	-109.5	118.4	168	40.9	0	0	0	0	107.9
861	K	29.7	Very low	29.1	Very low	209 Å²	209	141.6 Å²	141.6	91%	0.909	76%	0.762	S	S	*	*			trans	-142.5	119.4	156.1	-88.1	-174.2	-179.3	170.4	0	110.5
862	S	27.6	Very low	29	Very low	102 Å²	102	141 Å²	141	71%	0.713	76%	0.759	S	S	*	*			trans	-85.6	137.7	167.3	44.4	0	0	0	0	110.6
863	N	27.1	Very low	29	Very low	156 Å²	156	140.6 Å²	140.6	83%	0.834	76%	0.757	S	S	*	*				164.2	156.1	116.6	-90.7	-12.9	0	0	0	113.6
864	P	39.1	Very low	28.9	Very low	109 Å²	109	143.9 Å²	143.9	71%	0.708	77%	0.766	S	S	*	*			trans	-113.6	177.9	-145.5	41	-30.8	0	0	0	114.4
865	I	29.7	Very low	28.9	Very low	149 Å²	149	141 Å²	141	76%	0.764	77%	0.766	S	S	*	*			trans	179.2	128.7	143.9	-89	150.1	0	0	0	111.4
866	Q	29.9	Very low	29.1	Very low	170 Å²	170	143.4 Å²	143.4	79%	0.794	77%	0.771	S	S	*	*			trans	33.2	118.3	145.9	-69.3	166.5	-38	0	0	121
867	S	25.9	Very low	28.9	Very low	109 Å²	109	140.2 Å²	140.2	76%	0.762	76%	0.763	S	S	*	*				86.5	108.2	68.8	79	0	0	0	0	116.4
868	S	30.9	Very low	29.1	Very low	112 Å²	112	141.3 Å²	141.3	78%	0.783	77%	0.768	S	S	*	*			trans	-168.4	106.4	147.8	54.8	0	0	0	0	107.6
869	V	29.5	Very low	29.2	Very low	121 Å²	121	139.4 Å²	139.4	73%	0.733	77%	0.77	S	S	*	*				90.9	128.6	71.4	166.8	0	0	0	0	113
870	N	29.3	Very low	29.1	Very low	147 Å²	147	137.6 Å²	137.6	79%	0.786	77%	0.766	S	S	*	*			trans	85.5	130.9	162.7	-70.2	-12.4	0	0	0	117.9
871	V	29.8	Very low	29.4	Very low	112 Å²	112	139 Å²	139	68%	0.679	77%	0.767	S	S	*	*			cis	-170.3	141.3	30.1	116.4	0	0	0	0	112
872	F	30.4	Very low	29.3	Very low	173 Å²	173	137.6 Å²	137.6	76%	0.759	76%	0.764	S	S	*	*			trans	70.6	136.3	153.2	-74.3	-124.1	0	0	0	120.1
873	D	29	Very low	29.3	Very low	123 Å²	123	141.5 Å²	141.5	66%	0.658	77%	0.771	S	S	*	*			cis	-157.8	137.5	10.6	-100.4	-29.2	0	0	0	109
874	K	28.7	Very low	29.4	Very low	187 Å²	187	140.8 Å²	140.8	81%	0.813	77%	0.767	S	S	*	*				50.1	105.3	76.3	-87.6	-174.6	178.2	180	0	115.2
875	S	29.7	Very low	29.1	Very low	103 Å²	103	142 Å²	142	72%	0.72	77%	0.767	S	S	*	*				140.4	148	98.5	60.2	0	0	0	0	106.2
876	N	31.2	Very low	29.2	Very low	151 Å²	151	144.2 Å²	144.2	81%	0.807	77%	0.774	S	S	*	*			cis	-153.4	137.8	21.4	-94.3	-35.7	0	0	0	110.5
877	S	24.3	Very low	29.4	Very low	101 Å²	101	142.7 Å²	142.7	71%	0.706	77%	0.77	S	S	*	*			trans	-76.6	137.9	145.8	49.2	0	0	0	0	110.1
878	L	28.7	Very low	29.6	Very low	155 Å²	155	143.9 Å²	143.9	81%	0.812	77%	0.768	S	S	*	*			trans	166.1	111.7	139.7	-97.4	145	0	0	0	110.2
879	N	29.7	Very low	29.7	Very low	148 Å²	148	145.2 Å²	145.2	79%	0.791	77%	0.766	S	S	*	*				-172	99.6	122.5	-92.5	-14.7	0	0	0	109.1
880	T	25	Very low	29.9	Very low	131 Å²	131	146.3 Å²	146.3	80%	0.804	77%	0.768	S	S	*	*			trans	-131.6	109.5	165.3	-39.8	0	0	0	0	104.9
881	I	31.4	Very low	30.2	Very low	151 Å²	151	143.5 Å²	143.5	77%	0.774	77%	0.765	S	S	*	*			trans	-141.3	92.2	166.4	-61	-179.5	0	0	0	103.3
882	E	28.9	Very low	30.7	Very low	179 Å²	179	145.9 Å²	145.9	84%	0.836	77%	0.773	S	S	*	*				57.6	98.4	94.9	-76.1	-166.1	164.3	0	0	114
883	Q	26.7	Very low	31.3	Very low	185 Å²	185	142.3 Å²	142.3	86%	0.864	77%	0.769	S	S	*	*			trans	-94.7	122	149.2	-76.7	179.6	-15.6	0	0	107.5
884	N	30.6	Very low	32.1	Very low	140 Å²	140	147.8 Å²	147.8	75%	0.749	80%	0.798	S	S	*	*			trans	-178.1	120.6	131.5	-93.3	-25.9	0	0	0	112
885	N	31.1	Very low	32.2	Very low	134 Å²	134	145.8 Å²	145.8	72%	0.717	80%	0.797	S	S	*	*			trans	43.9	112.2	136.1	-60.7	-23.6	0	0	0	119.2
886	H	31.9	Very low	32.4	Very low	196 Å²	196	148.1 Å²	148.1	91%	0.907	80%	0.801	S	S	*	*				-152.7	131.7	120.9	-109	-69.3	0	0	0	112.3
887	I	34.5	Very low	32.4	Very low	138 Å²	138	147.9 Å²	147.9	71%	0.708	80%	0.801	S	S	*	*			trans	-78.2	140.8	174	-71.8	162.8	0	0	0	109.3
888	N	30.6	Very low	32.9	Very low	134 Å²	134	150.6 Å²	150.6	72%	0.717	81%	0.807	S	S	*	*			trans	41	118.2	155.2	-58.4	-15	0	0	0	119.6
889	N	33.9	Very low	33.2	Very low	140 Å²	140	150.4 Å²	150.4	75%	0.749	81%	0.806	S	S	*	*				177.8	127.2	102.8	-87.9	-19.4	0	0	0	111.1
890	D	33.3	Very low	33.4	Very low	145 Å²	145	150.5 Å²	150.5	78%	0.775	81%	0.807	S	S	*	*			trans	49.9	113.3	137.6	-58.2	-23	0	0	0	121.2
891	A	36	Very low	34	Very low	88 Å²	88	151.9 Å²	151.9	73%	0.727	81%	0.808	S	S	*	*				46	115.1	121.5	0	0	0	0	0	118.5
892	I	39.4	Very low	34.2	Very low	162 Å²	162	152 Å²	152	83%	0.831	81%	0.81	S	S	*	*				177.4	137	105	-84.8	152.9	0	0	0	108.5
893	S	41.9	Very low	34.6	Very low	98 Å²	98	149.8 Å²	149.8	69%	0.685	81%	0.808	S	S	*	*			trans	-49.3	131.2	172.3	52.1	0	0	0	0	115
894	N	45.9	Very low	35.4	Very low	237 Å²	237	146.5 Å²	146.5	100%	1.267	80%	0.803	S	S	*	*				-172.6	0	120	-96.6	-13.2	0	0	0	111

Retrieved 894 of 894 residues in 749.9 ms (Link to these results)

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