A0A087YCP8_POEFO Loading...

Epithelial cell transforming 2

AlphaFold DB , UniProt , Accession A0A087YCP8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,013 aa.

						>A0A087YCP8_POEFO|A0A087YCP8
MAESSMLTLGHARSLLVDSSVYDSRIVETTKDQCFVGMTSEVGEDMLPKVETRVVLVGEAGRNEALVKALQDINTPFIKTDNVQGFADGDNTDFETVFVLTDFSSPDYTYLYKHENRIVGPPVVLHCAAKEEPLHFSCRPLYCTAMLNLSLCLTGFRNKEEMKSLVNLVHHMGGTIRKDFSAKVTHLVAYSTHGEKYRLAVCMGTPILSPSWIQKAWEKRDHVHFHANDEEFRTEFKVPPFQNCILSFLGFSEEEKVNMEERTFKHGGRYAEVGDDQCTHLVVEENSVKDLPVSPSQKLFVVKQEWFWGSIQMDARAGESMYLYEKNDSPTMKKAVSLLSLTTPTSNRKRRRLRDTLAQLTKETEISPFPPPRKRPSAEHSLSIGSLVDISNTPETCKALAESSKPSKSSTPVVSKQSARWQVSKELYQTESNYVDILNTVLQLFKHPLEKEGQVGGPILAQEEIKTIFGSIPEIYEVHTRIKNDLEELLTDWSEGRSVGDIILKYSKELVKAYPPFVNFFEMSKETIVRCEKQKARFHAFLKINQAKPECGRQTLAELLIRPVQRLPSVALLLSDIKKHTSDDNPDKITLERAIESLKEVMTHINEDKRKTEGQKQIFDVVYEVDGCPANLLSSHRSLVHRVETIALGDEPCDRGEHVTLFLFNDCLEIARKRHKVINTFKSPVGQTRPPPPLKHIALMPLSQIRRVLDLHDTEECVNAFALVVRPPTEQENLLFSFQLVGEEMVKRDWLRTLCRHVANTICRADAEDLIQCTEPDSLQVTTKDMDSTLSKASRAIKKTSKKVTRAFSFTKTPKRVLQRAFLANTTPDEKSQRLSCENRVCSSSTLTMPRSASTFSLNESTTNSAVVQRSNSLDHAPVKPRIPVCIRSPCTPAKIHSSYSASDSSGGPELKYSSVIQEYKSTSYSVPMIQPKSIPQKSIFTQAGHGSPHLKNIQPQSGQDLARRLASGGFQPRSPGPQPVTLNTRTFSESCLDPQVEPQSAVLTSPRREMLI
					

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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	28.8	Very low	26.2	Very low	237 Å²	237	140.2 Å²	140.2	100%	1.167	80%	0.799	S	S	*	*				0	114.2	0	-67.1	165.9	179.6	0	0	105.4
2	A	23.5	Very low	26.1	Very low	88 Å²	88	136.7 Å²	136.7	73%	0.727	80%	0.8	S	S	*	*				74.3	129.6	62.6	0	0	0	0	0	110
3	E	25.1	Very low	26.1	Very low	166 Å²	166	143.8 Å²	143.8	78%	0.776	81%	0.805	S	S	*	*			cis	-165.2	170.5	8.5	-141.3	-171.7	-115.3	0	0	113
4	S	27.6	Very low	26.1	Very low	94 Å²	94	141 Å²	141	66%	0.657	80%	0.8	S	S	*	*			trans	66.7	145.3	143.4	-79.5	0	0	0	0	120.4
5	S	28.3	Very low	26.4	Very low	98 Å²	98	142.7 Å²	142.7	69%	0.685	81%	0.805	S	S	*	*			cis	-160	144.7	-5.6	-163.6	0	0	0	0	113.9
6	M	25.3	Very low	26.9	Very low	147 Å²	147	143.9 Å²	143.9	72%	0.724	81%	0.807	S	S	*	*			trans	46.9	126.9	144	-68.6	-78	-83.1	0	0	123	T8	M6-T8 HydrophobicContact CE-CG2 3.92Å
7	L	25	Very low	27.3	Very low	170 Å²	170	142.2 Å²	142.2	89%	0.89	80%	0.801	S	S	*	*				-147.4	158.6	114.6	-110.2	177.5	0	0	0	110.9
8	T	25.5	Very low	27.2	Very low	109 Å²	109	141.3 Å²	141.3	67%	0.669	79%	0.794	S	S	*	*			trans	-89.6	145.1	-162.6	51.2	0	0	0	0	115.1	M6	M6-T8 HydrophobicContact CE-CG2 3.92Å
9	L	27.8	Very low	27.4	Very low	176 Å²	176	139.7 Å²	139.7	92%	0.921	79%	0.793	S	S	*	*			trans	-120.4	134.6	166	-150.6	78.3	0	0	0	111.6
10	G	23.6	Very low	27.8	Very low	68 Å²	68	137 Å²	137	70%	0.701	78%	0.783	S	S	*	*			trans	-81.6	167.5	-179.4	0	0	0	0	0	114.4
11	H	27.8	Very low	28	Very low	189 Å²	189	134.1 Å²	134.1	88%	0.875	77%	0.768	S	S	*	*			trans	-70.1	128.6	179.4	-87.1	61.6	0	0	0	113
12	A	25	Very low	28	Very low	98 Å²	98	131 Å²	131	81%	0.81	75%	0.745	S	S	*	*			trans	-143.9	103.1	158.7	0	0	0	0	0	109.6
13	R	26	Very low	28.5	Very low	229 Å²	229	130.6 Å²	130.6	86%	0.864	73%	0.73	S	S	*	*			trans	-79.1	128.8	175.6	-78.5	-179.5	169.5	174.8	-4.7	110
14	S	26.1	Very low	28.8	Very low	105 Å²	105	126.3 Å²	126.3	73%	0.734	72%	0.718	S	S	*	*			trans	-107.5	115.4	173.1	-172.2	0	0	0	0	110.4	L16	S14-L16 PolarHBondContact O-N 3.14Å; S14-L16 VanDerWaalsContact O-N 3.13Å
15	L	31.3	Very low	28.9	Very low	167 Å²	167	129 Å²	129	87%	0.874	71%	0.714	S	S	*	*			trans	-86.5	69.8	-171.6	-68.3	167.3	0	0	0	112.1
16	L	33.5	Very low	29.1	Very low	161 Å²	161	129.1 Å²	129.1	84%	0.843	71%	0.706	S	S	*	*			trans	-141.1	17.2	176.6	-80.9	-177.5	0	0	0	115.2	S14	S14-L16 PolarHBondContact O-N 3.14Å; S14-L16 VanDerWaalsContact O-N 3.13Å
17	V	33.2	Very low	29.5	Very low	116 Å²	116	126.6 Å²	126.6	70%	0.703	70%	0.699	S	S	*	*	S	Bend	trans	-131.3	107.7	174.5	-177.4	0	0	0	0	108.9
18	D	26.8	Very low	29.7	Very low	125 Å²	125	125 Å²	125	67%	0.668	69%	0.687	S	S	*	*	S	Bend	trans	-176.9	-45.2	148.9	-95.4	-31.6	0	0	0	111.4	S20 V21	D18-S20 VanDerWaalsContact C-N 3.28Å; D18-S20 PolarHBondContact O-N 3.16Å; D18-V21 PolarHBondContact O-N 3.15Å
19	S	30.7	Very low	29.8	Very low	112 Å²	112	125 Å²	125	78%	0.783	69%	0.687	S	S	*	*	H	α-helix	trans	-57.5	-28.5	-167.2	-45.5	0	0	0	0	116.1
20	S	35.5	Very low	29.9	Very low	85 Å²	85	121.5 Å²	121.5	59%	0.594	67%	0.673	S	S	*	*	H	α-helix	trans	-85.4	-14.5	179.7	57.3	0	0	0	0	114.7	D18 S24	D18-S20 VanDerWaalsContact C-N 3.28Å; D18-S20 PolarHBondContact O-N 3.16Å; S20-S24 PolarHBondContact O-OG 3.44Å
21	V	30.9	Very low	30.3	Very low	77 Å²	77	126.6 Å²	126.6	47%	0.467	68%	0.676	S	S	.	*	H	α-helix	trans	-94.2	-15.4	-176.5	-173.6	0	0	0	0	111.9	D18 R25	D18-V21 PolarHBondContact O-N 3.15Å; V21-R25 PolarHBondContact O-NE 3.06Å; V21-R25 PolarHBondContact O-NH2 3Å
22	Y	28.4	Very low	30.2	Very low	172 Å²	172	125 Å²	125	68%	0.675	67%	0.673	S	S	*	*	H	α-helix	trans	-81.1	-52.7	166.2	-116.8	-96.8	0	0	0	111.3	S24 R25	Y22-S24 PolarHBondContact O-N 2.75Å; Y22-S24 VanDerWaalsContact O-N 3.12Å; Y22-R25 PolarHBondContact O-N 3.41Å
23	D	35	Very low	30.2	Very low	78 Å²	78	129.2 Å²	129.2	42%	0.417	68%	0.677	S	S	.	*	H	α-helix	trans	-57.6	-31.9	-175.2	-148.8	41.6	0	0	0	113.1	R25 R139	D23-R25 PolarHBondContact O-N 3.49Å; D23-R139 IonicContact OD2-CZ 2.66Å; D23-R139 IonicContact OD2-NH2 2.68Å; D23-R139 PolarHBondContact OD2-NH2 3.06Å
24	S	32.2	Very low	30.3	Very low	76 Å²	76	123.7 Å²	123.7	53%	0.531	67%	0.672	S	S	.	*	H	α-helix	trans	-68.1	-28.3	178.1	-59.3	0	0	0	0	114.2	S20 Y22	S20-S24 PolarHBondContact O-OG 3.44Å; Y22-S24 PolarHBondContact O-N 2.75Å; Y22-S24 VanDerWaalsContact O-N 3.12Å
25	R	28.5	Very low	30.1	Very low	152 Å²	152	128.4 Å²	128.4	57%	0.574	68%	0.679	S	S	*	*	H	α-helix	trans	-82.1	-36.1	-175.7	-88.5	178.6	-81	-174.9	-2.4	113.2	V21 Y22 D23 V27 E28 T29	V21-R25 PolarHBondContact O-NE 3.06Å; V21-R25 PolarHBondContact O-NH2 3Å; Y22-R25 PolarHBondContact O-N 3.41Å; D23-R25 PolarHBondContact O-N 3.49Å; R25-V27 VanDerWaalsContact C-N 3.26Å; R25-V27 PolarHBondContact O-N 3.34Å; R25-E28 PolarHBondContact O-N 3.48Å; R25-T29 PolarHBondContact O-N 2.75Å; R25-T29 PolarHBondContact O-OG1 2.81Å
26	I	32.4	Very low	29.9	Very low	100 Å²	100	127 Å²	127	51%	0.513	68%	0.678	S	S	.	*	H	α-helix	trans	-63.6	-34.4	-179.1	-65.5	170.7	0	0	0	111.3	T29 T30	I26-T29 PolarHBondContact O-OG1 3.44Å; I26-T30 WeakPolarHBondContact O-CG2 3.31Å; I26-T30 PolarHBondContact O-N 3.34Å; I26-T30 PolarHBondContact O-OG1 3.05Å
27	V	35	Very low	29.4	Very low	94 Å²	94	122.3 Å²	122.3	57%	0.57	67%	0.668	S	S	*	*	H	α-helix	trans	-77	-17	179.7	-178.4	0	0	0	0	113.3	R25 T30	R25-V27 VanDerWaalsContact C-N 3.26Å; R25-V27 PolarHBondContact O-N 3.34Å; V27-T30 WeakPolarHBondContact CA-OG1 3.4Å; V27-T30 PolarHBondContact O-OG1 3.36Å
28	E	29	Very low	29.1	Very low	135 Å²	135	125.2 Å²	125.2	63%	0.631	68%	0.676	S	S	*	*	H	α-helix	trans	-87.2	-43.3	173	-65.7	-166.1	138.2	0	0	111.2	R25 T30 K31	R25-E28 PolarHBondContact O-N 3.48Å; E28-T30 PolarHBondContact O-N 3.08Å; E28-T30 VanDerWaalsContact O-N 3.12Å; E28-K31 PolarHBondContact O-N 3.09Å
29	T	27.8	Very low	29	Very low	110 Å²	110	125.4 Å²	125.4	68%	0.675	68%	0.682	S	S	*	*	H	α-helix	trans	-61.5	-21.2	175.5	41.5	0	0	0	0	114.7	R25 I26	R25-T29 PolarHBondContact O-N 2.75Å; R25-T29 PolarHBondContact O-OG1 2.81Å; I26-T29 PolarHBondContact O-OG1 3.44Å
30	T	30	Very low	28.7	Very low	103 Å²	103	125.9 Å²	125.9	63%	0.632	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	3	-178.2	39.7	0	0	0	0	114.2	I26 V27 E28	I26-T30 WeakPolarHBondContact O-CG2 3.31Å; I26-T30 PolarHBondContact O-N 3.34Å; I26-T30 PolarHBondContact O-OG1 3.05Å; V27-T30 WeakPolarHBondContact CA-OG1 3.4Å; V27-T30 PolarHBondContact O-OG1 3.36Å; E28-T30 PolarHBondContact O-N 3.08Å; E28-T30 VanDerWaalsContact O-N 3.12Å
31	K	30.9	Very low	28.4	Very low	175 Å²	175	130.4 Å²	130.4	76%	0.761	70%	0.697	S	S	*	*	S	Bend	trans	-112.2	-7.9	-175.3	-136.2	171	-172.3	171.4	0	116.8	E28	E28-K31 PolarHBondContact O-N 3.09Å
32	D	25.1	Very low	28.2	Very low	154 Å²	154	134 Å²	134	82%	0.824	72%	0.718	S	S	*	*	S	Bend	trans	-91.9	1.2	180	-71.6	-18.7	0	0	0	114.2
33	Q	26.6	Very low	28.1	Very low	188 Å²	188	129.3 Å²	129.3	88%	0.879	72%	0.722	S	S	*	*			trans	-107.6	65.2	174.7	-73.5	-168.1	-17.5	0	0	113
34	C	26.6	Very low	28	Very low	113 Å²	113	133.8 Å²	133.8	76%	0.764	74%	0.741	S	S	*	*			trans	-159.6	87.5	161.9	-158.3	0	0	0	0	113.3
35	F	22.5	Very low	27.8	Very low	203 Å²	203	138.1 Å²	138.1	89%	0.89	76%	0.758	S	S	*	*			trans	-161.4	138.4	162.1	-119.4	-68.5	0	0	0	114.1
36	V	26.3	Very low	27.8	Very low	139 Å²	139	138.7 Å²	138.7	84%	0.842	77%	0.769	S	S	*	*			trans	65.5	148.5	172	-161.3	0	0	0	0	115.5
37	G	24.9	Very low	27.7	Very low	61 Å²	61	141.6 Å²	141.6	63%	0.629	79%	0.785	S	S	*	*			trans	-140.6	-167.2	177.3	0	0	0	0	0	113.2
38	M	25.7	Very low	27.5	Very low	178 Å²	178	142.3 Å²	142.3	88%	0.877	79%	0.792	S	S	*	*			trans	68.8	99.8	-174.8	-61.6	-178.2	61.5	0	0	116.3
39	T	25	Very low	27.8	Very low	129 Å²	129	145.5 Å²	145.5	79%	0.791	80%	0.803	S	S	*	*				174.5	164.7	97.7	32.4	0	0	0	0	112.6
40	S	23.9	Very low	28.8	Very low	121 Å²	121	143.8 Å²	143.8	85%	0.846	79%	0.793	S	S	*	*			trans	78.1	161.7	165.1	-58.2	0	0	0	0	118.5
41	E	29.2	Very low	29.8	Very low	181 Å²	181	144.4 Å²	144.4	85%	0.846	79%	0.788	S	S	*	*			trans	-112.3	174.1	-158.6	-56.1	174.8	127.6	0	0	113.4
42	V	27.9	Very low	31.1	Very low	152 Å²	152	137.4 Å²	137.4	92%	0.921	76%	0.76	S	S	*	*			trans	74.4	126.1	166	-167.5	0	0	0	0	116.4
43	G	25.9	Very low	32.9	Very low	73 Å²	73	132.8 Å²	132.8	75%	0.753	73%	0.731	S	S	*	*			trans	135.3	82.3	168.5	0	0	0	0	0	113.4
44	E	32.6	Very low	34.6	Very low	172 Å²	172	123.8 Å²	123.8	80%	0.804	69%	0.689	S	S	*	*			trans	-79.4	124.8	160.7	-71.6	-173.3	115.5	0	0	109.3
45	D	27.5	Very low	36.4	Very low	168 Å²	168	118.5 Å²	118.5	90%	0.898	65%	0.653	S	S	*	*			trans	-143	112.3	153.9	-110	-38.3	0	0	0	107.1
46	M	29.2	Very low	38.1	Very low	164 Å²	164	108.9 Å²	108.9	81%	0.808	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-86.1	116.5	-171.6	-78.5	-158.5	176.6	0	0	112.4
47	L	29.4	Very low	39.8	Very low	160 Å²	160	102.7 Å²	102.7	84%	0.838	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-73.3	138	145.8	-68.5	172.6	0	0	0	108.6	K49	L47-K49 PolarHBondContact O-N 3.5Å
48	P	31.6	Very low	41.5	Very low	110 Å²	110	100.7 Å²	100.7	71%	0.714	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-64.7	127	-177.6	25.8	-33.6	0	0	0	110.9	V50	P48-V50 PolarHBondContact O-N 3.27Å
49	K	34.6	Very low	43	Very low	202 Å²	202	97.5 Å²	97.5	88%	0.878	54%	0.536	S	S	*	.			trans	-70.8	93.8	165.1	-76.6	-178.3	176.5	176.7	0	108.5	L47 E51	L47-K49 PolarHBondContact O-N 3.5Å; K49-E51 PolarHBondContact O-N 2.95Å
50	V	49.3	Very low	44.4	Very low	74 Å²	74	91.4 Å²	91.4	45%	0.448	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-60.1	116.8	168.7	-178.7	0	0	0	0	108	P48 T52 E95	P48-V50 PolarHBondContact O-N 3.27Å; V50-T52 PolarHBondContact O-N 3.15Å; V50-E95 HydrophobicContact CG1-CB 3.85Å; V50-E95 VanDerWaalsContact CG1-N 3.26Å
51	E	50.2	Low	45.9	Very low	115 Å²	115	86 Å²	86	54%	0.537	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	122.5	178.1	-86.9	-166.5	146.5	0	0	110.1	K49 R53 F94 E95	K49-E51 PolarHBondContact O-N 2.95Å; E51-R53 PolarHBondContact O-N 2.86Å; E51-F94 HydrophobicContact CB-CD1 3.7Å; E51-F94 HydrophobicContact CB-CE1 3.82Å; E51-F94 VanDerWaalsContact O-CA 3.31Å; E51-F94 WeakPolarHBondContact O-CA 3.42Å; E51-E95 PolarHBondContact O-N 2.82Å; E51-E95 VanDerWaalsContact O-N 3.09Å
52	T	58.5	Low	47.1	Very low	29 Å²	29	85.1 Å²	85.1	18%	0.178	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	122.3	174.4	-48.1	0	0	0	0	109.8	V50 T75 E95 V97	V50-T52 PolarHBondContact O-N 3.15Å; T52-T75 WeakPolarHBondContact O-CG2 3.25Å; T52-E95 CarbonylContact C-O 3.58Å; T52-E95 WeakPolarHBondContact CA-O 3.37Å; T52-V97 HydrophobicContact CG2-CG2 3.47Å; T52-V97 VanDerWaalsContact CG2-CG2 3.47Å
53	R	62.7	Low	48.6	Very low	56 Å²	56	81.4 Å²	81.4	21%	0.211	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.6	-175.1	-179.3	-174.7	-71	-171.8	-2.7	110.5	E51 P76 F94 E95 T96 V97	E51-R53 PolarHBondContact O-N 2.86Å; R53-P76 WeakPolarHBondContact CA-O 3.39Å; R53-F94 HydrophobicContact CB-CB 4.18Å; R53-F94 HydrophobicContact CB-CD1 4.44Å; R53-F94 VanDerWaalsContact NH2-CE1 3.26Å; R53-F94 VanDerWaalsContact NH2-CG 3.33Å; R53-E95 PolarHBondContact N-O 2.57Å; R53-T96 CarbonylContact O-C 3.41Å; R53-T96 WeakPolarHBondContact O-CA 3.49Å; R53-V97 PolarHBondContact O-N 2.73Å
54	V	62.5	Low	50.2	Low	0 Å²	0	86 Å²	86	0%	0	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	116.3	-173	-179	0	0	0	0	111.9	L56 L70 T75 P76 F77 I78 V97 V99 L134	V54-L56 HydrophobicContact CG1-CD2 4.24Å; V54-L70 HydrophobicContact CB-CD1 4.46Å; V54-L70 HydrophobicContact CB-CD2 4.15Å; V54-L70 HydrophobicContact CG1-CD1 3.93Å; V54-L70 HydrophobicContact CG1-CD2 4.02Å; V54-L70 HydrophobicContact CG2-CD2 3.95Å; V54-T75 HydrophobicContact CG2-CG2 3.73Å; V54-P76 PolarHBondContact N-O 2.94Å; V54-F77 HydrophobicContact CB-CB 4.13Å; V54-F77 CarbonylContact O-C 3.58Å; V54-F77 WeakPolarHBondContact O-CA 3.3Å; V54-F77 VanDerWaalsContact O-CB 3.31Å; V54-F77 WeakPolarHBondContact O-CB 3.43Å; V54-I78 PolarHBondContact O-N 2.84Å; V54-V97 CarbonylContact C-O 3.06Å; V54-V97 WeakPolarHBondContact CA-O 3.14Å; V54-V97 HydrophobicContact CG2-CB 4.42Å; V54-V99 HydrophobicContact CG1-CG2 3.55Å; V54-L134 HydrophobicContact CG2-CD1 3.73Å
55	V	64.6	Low	51.5	Low	2 Å²	2	80.5 Å²	80.5	1%	0.012	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	107	174.4	178.7	0	0	0	0	109.4	V57 I78 T96 V97 F98 V99	V55-V57 HydrophobicContact CG1-CG2 4.14Å; V55-V57 PolarHBondContact O-N 3.5Å; V55-I78 CarbonylContact C-O 3.6Å; V55-I78 WeakPolarHBondContact CA-O 3.24Å; V55-I78 HydrophobicContact CG2-CB 4.48Å; V55-T96 HydrophobicContact CB-CG2 4.49Å; V55-T96 HydrophobicContact CG2-CG2 3.58Å; V55-V97 PolarHBondContact N-O 2.8Å; V55-F98 HydrophobicContact CB-CD1 3.87Å; V55-F98 HydrophobicContact CB-CE1 4.1Å; V55-F98 HydrophobicContact CB-CG 4.49Å; V55-F98 HydrophobicContact CG1-CD1 3.89Å; V55-F98 HydrophobicContact CG1-CE1 4.01Å; V55-F98 HydrophobicContact CG2-CE1 4.35Å; V55-F98 WeakPolarHBondContact O-CA 3.49Å; V55-V99 PolarHBondContact O-N 3.45Å
56	L	59.5	Low	53.1	Low	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	110.8	171.5	-64.5	-176.2	0	0	0	109.6	V54 A60 L66 V67 L70 F77 I78 K79 T80 V99	V54-L56 HydrophobicContact CG1-CD2 4.24Å; L56-A60 HydrophobicContact CB-CB 4.39Å; L56-A60 HydrophobicContact CD2-CB 4.25Å; L56-L66 HydrophobicContact CD2-CD2 3.63Å; L56-L66 HydrophobicContact CD2-CG 4.16Å; L56-V67 HydrophobicContact CD1-CG2 4.08Å; L56-L70 HydrophobicContact CD1-CD1 4.01Å; L56-L70 HydrophobicContact CD2-CD1 3.73Å; L56-L70 HydrophobicContact CG-CD1 4.04Å; L56-F77 HydrophobicContact CD1-CD2 4.14Å; L56-I78 PolarHBondContact N-O 2.95Å; L56-K79 HydrophobicContact CB-CG 4.36Å; L56-K79 HydrophobicContact CD1-CG 4.34Å; L56-T80 PolarHBondContact O-N 3.06Å; L56-V99 HydrophobicContact CD2-CB 3.85Å; L56-V99 HydrophobicContact CD2-CG1 4.19Å; L56-V99 HydrophobicContact CD2-CG2 4.16Å
57	V	61.5	Low	54.7	Low	9 Å²	9	65.7 Å²	65.7	6%	0.055	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128.5	-179	177.5	0	0	0	0	110.8	V55 E59 A60 T80 V83 F98 V99 L100	V55-V57 HydrophobicContact CG1-CG2 4.14Å; V55-V57 PolarHBondContact O-N 3.5Å; V57-E59 PolarHBondContact O-N 3.5Å; V57-A60 WeakPolarHBondContact O-CB 3.36Å; V57-A60 PolarHBondContact O-N 3.35Å; V57-A60 VanDerWaalsContact O-N 3.13Å; V57-T80 WeakPolarHBondContact CA-O 3.49Å; V57-V83 HydrophobicContact CG1-CG2 3.51Å; V57-V83 HydrophobicContact CG2-CG2 4.22Å; V57-F98 HydrophobicContact CG2-CD1 4.06Å; V57-V99 PolarHBondContact N-O 2.99Å; V57-V99 VanDerWaalsContact N-O 3.13Å; V57-L100 HydrophobicContact CB-CD2 3.77Å; V57-L100 HydrophobicContact CG1-CD2 3.68Å; V57-L100 HydrophobicContact CG2-CD2 4.27Å
58	G	61.3	Low	56.2	Low	19 Å²	19	63.4 Å²	63.4	20%	0.196	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	54.3	-119	170.2	0	0	0	0	0	114.1	A60 G61 T80 D81	G58-A60 PolarHBondContact O-N 2.84Å; G58-G61 PolarHBondContact O-N 3.4Å; G58-T80 PolarHBondContact N-O 3.21Å; G58-T80 VanDerWaalsContact N-O 3.16Å; G58-D81 WeakPolarHBondContact CA-OD1 3.35Å
59	E	55.6	Low	57.6	Low	112 Å²	112	58.3 Å²	58.3	52%	0.523	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-64.2	-24.5	-176.4	-55.3	-140.3	115.3	0	0	113.8	V57 G61 R62 T101	V57-E59 PolarHBondContact O-N 3.5Å; E59-G61 PolarHBondContact O-N 3.29Å; E59-R62 PolarHBondContact O-N 3.21Å; E59-R62 IonicContact OE1-CZ 3.83Å; E59-R62 IonicContact OE1-NE 3.73Å; E59-R62 IonicContact OE1-NH2 2.65Å; E59-R62 PolarHBondContact OE1-NH2 3.01Å; E59-T101 HydrophobicContact CB-CG2 4.01Å
60	A	55.6	Low	59	Low	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-59.4	-37	171.4	0	0	0	0	0	111	L56 V57 G58 R62 N63 L66 V99 T101	L56-A60 HydrophobicContact CB-CB 4.39Å; L56-A60 HydrophobicContact CD2-CB 4.25Å; V57-A60 WeakPolarHBondContact O-CB 3.36Å; V57-A60 PolarHBondContact O-N 3.35Å; V57-A60 VanDerWaalsContact O-N 3.13Å; G58-A60 PolarHBondContact O-N 2.84Å; A60-R62 PolarHBondContact O-N 3.02Å; A60-N63 PolarHBondContact O-N 2.68Å; A60-L66 HydrophobicContact CB-CD2 3.93Å; A60-V99 HydrophobicContact CB-CG1 4.11Å; A60-T101 HydrophobicContact CB-CG2 4.22Å
61	G	55.4	Low	59.7	Low	9 Å²	9	50.7 Å²	50.7	9%	0.093	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-66.9	-15.7	176	0	0	0	0	0	114.6	G58 E59 K79	G58-G61 PolarHBondContact O-N 3.4Å; E59-G61 PolarHBondContact O-N 3.29Å; G61-K79 VanDerWaalsContact O-CE 3.32Å; G61-K79 WeakPolarHBondContact O-CE 3.35Å; G61-K79 PolarHBondContact O-NZ 3.06Å
62	R	53.2	Low	60.1	Low	162 Å²	162	50 Å²	50	61%	0.611	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-93.2	-12.5	-179.6	-61.2	-161.7	-85.7	-101.4	20.1	114.1	E59 A60 E64	E59-R62 PolarHBondContact O-N 3.21Å; E59-R62 IonicContact OE1-CZ 3.83Å; E59-R62 IonicContact OE1-NE 3.73Å; E59-R62 IonicContact OE1-NH2 2.65Å; E59-R62 PolarHBondContact OE1-NH2 3.01Å; A60-R62 PolarHBondContact O-N 3.02Å; R62-E64 PolarHBondContact O-N 3.05Å
63	N	60.3	Low	60.3	Low	73 Å²	73	49.9 Å²	49.9	39%	0.39	25%	0.248	S	C	.	.			trans	-88.6	107.7	-176	-171.8	-21.1	0	0	0	112	A60 A65 L66 V67	A60-N63 PolarHBondContact O-N 2.68Å; N63-A65 VanDerWaalsContact C-N 3.29Å; N63-A65 PolarHBondContact O-N 3.18Å; N63-A65 PolarHBondContact OD1-N 3.46Å; N63-A65 VanDerWaalsContact OD1-N 3.14Å; N63-L66 HydrophobicContact CB-CB 4.09Å; N63-L66 WeakPolarHBondContact O-CB 3.39Å; N63-L66 PolarHBondContact O-N 3.24Å; N63-L66 VanDerWaalsContact O-N 3.15Å; N63-V67 PolarHBondContact O-N 3.49Å
64	E	59	Low	60.1	Low	170 Å²	170	54.3 Å²	54.3	79%	0.794	28%	0.276	S	S	*	.	H	α-helix	trans	-59.3	-35.6	-178.3	-62.3	-173.3	163.4	0	0	113.6	R62 L66 V67 K68	R62-E64 PolarHBondContact O-N 3.05Å; E64-L66 VanDerWaalsContact C-N 3.31Å; E64-L66 PolarHBondContact O-N 2.81Å; E64-V67 PolarHBondContact O-N 3.38Å; E64-K68 PolarHBondContact O-N 2.72Å
65	A	59.8	Low	60	Low	56 Å²	56	55.5 Å²	55.5	46%	0.463	28%	0.283	S	S	.	.	H	α-helix	trans	-66.4	-34.8	178.8	0	0	0	0	0	112	N63 A69 L125	N63-A65 VanDerWaalsContact C-N 3.29Å; N63-A65 PolarHBondContact O-N 3.18Å; N63-A65 PolarHBondContact OD1-N 3.46Å; N63-A65 VanDerWaalsContact OD1-N 3.14Å; A65-A69 WeakPolarHBondContact O-CB 3.48Å; A65-A69 PolarHBondContact O-N 3.25Å; A65-L125 HydrophobicContact CB-CD2 4.26Å
66	L	61.7	Low	59.7	Low	0 Å²	0	58 Å²	58	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-72	-40.1	176.9	-173.9	66.4	0	0	0	111.8	L56 A60 N63 E64 A69 L70 V99 P121 V124 L125	L56-L66 HydrophobicContact CD2-CD2 3.63Å; L56-L66 HydrophobicContact CD2-CG 4.16Å; A60-L66 HydrophobicContact CB-CD2 3.93Å; N63-L66 HydrophobicContact CB-CB 4.09Å; N63-L66 WeakPolarHBondContact O-CB 3.39Å; N63-L66 PolarHBondContact O-N 3.24Å; N63-L66 VanDerWaalsContact O-N 3.15Å; E64-L66 VanDerWaalsContact C-N 3.31Å; E64-L66 PolarHBondContact O-N 2.81Å; L66-A69 PolarHBondContact O-N 2.97Å; L66-L70 PolarHBondContact O-N 2.71Å; L66-L70 VanDerWaalsContact O-N 3.11Å; L66-V99 HydrophobicContact CD2-CG1 4.1Å; L66-P121 HydrophobicContact CD1-CB 4.02Å; L66-P121 HydrophobicContact CD2-CB 4.05Å; L66-P121 HydrophobicContact CD2-CG 4.18Å; L66-V124 HydrophobicContact CD1-CB 3.57Å; L66-V124 HydrophobicContact CD1-CG1 3.66Å; L66-V124 HydrophobicContact CD1-CG2 4.18Å; L66-L125 HydrophobicContact CD1-CG 4.48Å
67	V	62.7	Low	59.5	Low	21 Å²	21	61.1 Å²	61.1	13%	0.127	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-43.3	175.2	175.3	0	0	0	0	110.6	L56 N63 E64 L70 Q71 F77	L56-V67 HydrophobicContact CD1-CG2 4.08Å; N63-V67 PolarHBondContact O-N 3.49Å; E64-V67 PolarHBondContact O-N 3.38Å; V67-L70 PolarHBondContact O-N 3.25Å; V67-Q71 WeakPolarHBondContact O-CG 3.45Å; V67-Q71 PolarHBondContact O-N 3.41Å; V67-F77 HydrophobicContact CG1-CE2 4.27Å; V67-F77 HydrophobicContact CG1-CZ 3.8Å
68	K	61.7	Low	59.5	Low	112 Å²	112	63.1 Å²	63.1	49%	0.487	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-46.1	175	-168.5	-169	168.9	-168.5	0	111.5	E64 L70 Q71 D72	E64-K68 PolarHBondContact O-N 2.72Å; K68-L70 VanDerWaalsContact C-N 3.27Å; K68-L70 PolarHBondContact O-N 3.22Å; K68-Q71 WeakPolarHBondContact O-CA 3.38Å; K68-Q71 WeakPolarHBondContact O-CB 3.46Å; K68-Q71 PolarHBondContact O-N 3.13Å; K68-D72 WeakPolarHBondContact CE-OD2 3.38Å; K68-D72 PolarHBondContact O-N 3.38Å
69	A	60.3	Low	59.5	Low	4 Å²	4	67.4 Å²	67.4	3%	0.033	34%	0.336	C	S	.	.	H	α-helix	trans	-56.5	-37.8	177.5	0	0	0	0	0	113.2	A65 L66 D72 I73 V124 L125 A128	A65-A69 WeakPolarHBondContact O-CB 3.48Å; A65-A69 PolarHBondContact O-N 3.25Å; L66-A69 PolarHBondContact O-N 2.97Å; A69-D72 PolarHBondContact O-N 3.48Å; A69-I73 WeakPolarHBondContact O-CD1 3.23Å; A69-I73 VanDerWaalsContact O-CG1 3.25Å; A69-I73 WeakPolarHBondContact O-CG1 3.29Å; A69-I73 PolarHBondContact O-N 2.75Å; A69-V124 HydrophobicContact CB-CG1 4.27Å; A69-L125 HydrophobicContact CB-CD2 3.93Å; A69-A128 HydrophobicContact CB-CB 3.53Å
70	L	63.9	Low	59.7	Low	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-71.4	-30.1	175.5	-72.3	167.7	0	0	0	113.7	V54 L56 L66 V67 K68 N74 T75 F77 V124	V54-L70 HydrophobicContact CB-CD1 4.46Å; V54-L70 HydrophobicContact CB-CD2 4.15Å; V54-L70 HydrophobicContact CG1-CD1 3.93Å; V54-L70 HydrophobicContact CG1-CD2 4.02Å; V54-L70 HydrophobicContact CG2-CD2 3.95Å; L56-L70 HydrophobicContact CD1-CD1 4.01Å; L56-L70 HydrophobicContact CD2-CD1 3.73Å; L56-L70 HydrophobicContact CG-CD1 4.04Å; L66-L70 PolarHBondContact O-N 2.71Å; L66-L70 VanDerWaalsContact O-N 3.11Å; V67-L70 PolarHBondContact O-N 3.25Å; K68-L70 VanDerWaalsContact C-N 3.27Å; K68-L70 PolarHBondContact O-N 3.22Å; L70-N74 PolarHBondContact O-N 3.3Å; L70-T75 PolarHBondContact O-N 3.1Å; L70-F77 HydrophobicContact CB-CD1 3.93Å; L70-F77 HydrophobicContact CB-CE1 4.45Å; L70-F77 HydrophobicContact CB-CG 4.47Å; L70-F77 HydrophobicContact CD1-CB 4.02Å; L70-F77 HydrophobicContact CD1-CD1 4.46Å; L70-F77 HydrophobicContact CD1-CG 4.19Å; L70-V124 HydrophobicContact CD1-CG1 4.5Å; L70-V124 HydrophobicContact CD2-CG1 3.53Å; L70-V124 HydrophobicContact CG-CG1 3.68Å
71	Q	63.1	Low	59.6	Low	116 Å²	116	69.8 Å²	69.8	54%	0.542	35%	0.354	S	S	.	.	H	α-helix	trans	-69.7	-41.8	170.5	-67.3	170.1	-18.2	0	0	110.9	V67 K68 I73 N74 F77	V67-Q71 WeakPolarHBondContact O-CG 3.45Å; V67-Q71 PolarHBondContact O-N 3.41Å; K68-Q71 WeakPolarHBondContact O-CA 3.38Å; K68-Q71 WeakPolarHBondContact O-CB 3.46Å; K68-Q71 PolarHBondContact O-N 3.13Å; Q71-I73 VanDerWaalsContact C-N 3.33Å; Q71-I73 PolarHBondContact O-N 3.17Å; Q71-N74 PolarHBondContact O-N 3.37Å; Q71-F77 HydrophobicContact CG-CE1 4.11Å
72	D	60.4	Low	59.6	Low	100 Å²	100	74.1 Å²	74.1	54%	0.535	38%	0.375	S	S	.	.	H	α-helix	trans	-65.4	-31.8	178.1	-65	-29.6	0	0	0	112	K68 A69 N74	K68-D72 WeakPolarHBondContact CE-OD2 3.38Å; K68-D72 PolarHBondContact O-N 3.38Å; A69-D72 PolarHBondContact O-N 3.48Å; D72-N74 VanDerWaalsContact C-N 3.34Å
73	I	62.1	Low	59.6	Low	27 Å²	27	66.8 Å²	66.8	14%	0.138	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.2	171.9	-48.4	154.3	0	0	0	112.4	A69 Q71 T75 V124 C127 A128	A69-I73 WeakPolarHBondContact O-CD1 3.23Å; A69-I73 VanDerWaalsContact O-CG1 3.25Å; A69-I73 WeakPolarHBondContact O-CG1 3.29Å; A69-I73 PolarHBondContact O-N 2.75Å; Q71-I73 VanDerWaalsContact C-N 3.33Å; Q71-I73 PolarHBondContact O-N 3.17Å; I73-T75 VanDerWaalsContact C-N 3.3Å; I73-T75 PolarHBondContact O-N 2.97Å; I73-T75 PolarHBondContact O-OG1 2.78Å; I73-V124 HydrophobicContact CD1-CG1 4.23Å; I73-C127 HydrophobicContact CD1-CB 3.92Å; I73-A128 HydrophobicContact CD1-CB 3.87Å; I73-A128 HydrophobicContact CG1-CB 3.82Å
74	N	57.5	Low	59.2	Low	149 Å²	149	69 Å²	69	80%	0.797	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	43.6	-179.2	-170.6	71.1	0	0	0	113.8	L70 Q71 D72	L70-N74 PolarHBondContact O-N 3.3Å; Q71-N74 PolarHBondContact O-N 3.37Å; D72-N74 VanDerWaalsContact C-N 3.34Å
75	T	60.6	Low	58.6	Low	24 Å²	24	63.7 Å²	63.7	15%	0.147	35%	0.347	C	S	.	.			trans	-108.5	130.9	-177.9	-54.2	0	0	0	0	110.7	T52 V54 L70 I73 F77 L134	T52-T75 WeakPolarHBondContact O-CG2 3.25Å; V54-T75 HydrophobicContact CG2-CG2 3.73Å; L70-T75 PolarHBondContact O-N 3.1Å; I73-T75 VanDerWaalsContact C-N 3.3Å; I73-T75 PolarHBondContact O-N 2.97Å; I73-T75 PolarHBondContact O-OG1 2.78Å; T75-F77 PolarHBondContact O-N 2.95Å; T75-L134 HydrophobicContact CG2-CD1 4.46Å
76	P	58.5	Low	58.3	Low	55 Å²	55	64.6 Å²	64.6	36%	0.357	34%	0.341	S	S	.	.			trans	-66.3	128.4	-178.4	26	-33.4	0	0	0	111.2	R53 V54	R53-P76 WeakPolarHBondContact CA-O 3.39Å; V54-P76 PolarHBondContact N-O 2.94Å
77	F	55.1	Low	57.7	Low	65 Å²	65	65.4 Å²	65.4	29%	0.285	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	150.4	-177.9	72.8	-92.9	0	0	0	114	V54 L56 V67 L70 Q71 T75	V54-F77 HydrophobicContact CB-CB 4.13Å; V54-F77 CarbonylContact O-C 3.58Å; V54-F77 WeakPolarHBondContact O-CA 3.3Å; V54-F77 VanDerWaalsContact O-CB 3.31Å; V54-F77 WeakPolarHBondContact O-CB 3.43Å; L56-F77 HydrophobicContact CD1-CD2 4.14Å; V67-F77 HydrophobicContact CG1-CE2 4.27Å; V67-F77 HydrophobicContact CG1-CZ 3.8Å; L70-F77 HydrophobicContact CB-CD1 3.93Å; L70-F77 HydrophobicContact CB-CE1 4.45Å; L70-F77 HydrophobicContact CB-CG 4.47Å; L70-F77 HydrophobicContact CD1-CB 4.02Å; L70-F77 HydrophobicContact CD1-CD1 4.46Å; L70-F77 HydrophobicContact CD1-CG 4.19Å; Q71-F77 HydrophobicContact CG-CE1 4.11Å; T75-F77 PolarHBondContact O-N 2.95Å
78	I	62.1	Low	56.9	Low	52 Å²	52	69.9 Å²	69.9	27%	0.267	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.5	176.9	-62.2	-178.8	0	0	0	108.2	V54 V55 L56 F86	V54-I78 PolarHBondContact O-N 2.84Å; V55-I78 CarbonylContact C-O 3.6Å; V55-I78 WeakPolarHBondContact CA-O 3.24Å; V55-I78 HydrophobicContact CG2-CB 4.48Å; L56-I78 PolarHBondContact N-O 2.95Å; I78-F86 HydrophobicContact CD1-CE1 4.3Å; I78-F86 HydrophobicContact CG2-CZ 4.23Å
79	K	60.4	Low	56.2	Low	108 Å²	108	66.2 Å²	66.2	47%	0.47	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.8	171.1	-60.8	-172.2	-179	-167.8	0	109.4	L56 G61	L56-K79 HydrophobicContact CB-CG 4.36Å; L56-K79 HydrophobicContact CD1-CG 4.34Å; G61-K79 VanDerWaalsContact O-CE 3.32Å; G61-K79 WeakPolarHBondContact O-CE 3.35Å; G61-K79 PolarHBondContact O-NZ 3.06Å
80	T	59.9	Low	55.4	Low	31 Å²	31	74 Å²	74	19%	0.19	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	135.4	179.6	-73.8	0	0	0	0	111.8	L56 V57 G58 N82 F86	L56-T80 PolarHBondContact O-N 3.06Å; V57-T80 WeakPolarHBondContact CA-O 3.49Å; G58-T80 PolarHBondContact N-O 3.21Å; G58-T80 VanDerWaalsContact N-O 3.16Å; T80-N82 WeakPolarHBondContact CG2-O 3.24Å; T80-F86 HydrophobicContact CG2-CD2 3.9Å; T80-F86 HydrophobicContact CG2-CE2 3.89Å; T80-F86 WeakPolarHBondContact OG1-CE2 3.27Å
81	D	55	Low	54.6	Low	131 Å²	131	78.3 Å²	78.3	70%	0.701	43%	0.429	S	S	*	.	S	Bend	trans	-94.9	-2.7	178.2	-60.6	-61	0	0	0	113.8	G58	G58-D81 WeakPolarHBondContact CA-OD1 3.35Å
82	N	53.5	Low	53.8	Low	101 Å²	101	78.7 Å²	78.7	54%	0.54	44%	0.439	S	S	.	.			trans	-128.4	106	-177.3	-173.1	3.8	0	0	0	111.9	T80	T80-N82 WeakPolarHBondContact CG2-O 3.24Å
83	V	54.1	Low	53.1	Low	7 Å²	7	78.9 Å²	78.9	4%	0.042	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-31.4	-167	-178.5	0	0	0	0	113.4	V57 G85 F86 A87 D107 Y110 L111	V57-V83 HydrophobicContact CG1-CG2 3.51Å; V57-V83 HydrophobicContact CG2-CG2 4.22Å; V83-G85 VanDerWaalsContact C-N 3.26Å; V83-G85 PolarHBondContact O-N 3.41Å; V83-F86 PolarHBondContact O-N 3.23Å; V83-A87 PolarHBondContact O-N 3.18Å; V83-D107 HydrophobicContact CG2-CB 4.1Å; V83-Y110 HydrophobicContact CG1-CD1 3.98Å; V83-Y110 HydrophobicContact CG1-CE1 4.19Å; V83-L111 HydrophobicContact CG1-CD1 3.61Å; V83-L111 HydrophobicContact CG1-CD2 3.72Å; V83-L111 HydrophobicContact CG1-CG 3.51Å
84	Q	51	Low	52.6	Low	119 Å²	119	80 Å²	80	56%	0.556	44%	0.444	S	S	*	.	H	α-helix	trans	-64.8	-28.4	-175.9	-71.4	170.1	-17.3	0	0	112.8	F86 Y110	Q84-F86 VanDerWaalsContact C-N 3.25Å; Q84-F86 PolarHBondContact O-N 3.04Å; Q84-Y110 HydrophobicContact CB-CE1 4.35Å; Q84-Y110 HydrophobicContact CG-CD1 4.32Å; Q84-Y110 HydrophobicContact CG-CE1 3.7Å; Q84-Y110 HydrophobicContact CG-CE2 4.2Å
85	G	47.8	Very low	52.4	Low	60 Å²	60	75.7 Å²	75.7	62%	0.619	42%	0.419	S	S	*	.	H	α-helix	trans	-72.4	-9.6	179	0	0	0	0	0	115.7	V83	V83-G85 VanDerWaalsContact C-N 3.26Å; V83-G85 PolarHBondContact O-N 3.41Å
86	F	53.2	Low	52.3	Low	75 Å²	75	76.1 Å²	76.1	33%	0.329	42%	0.422	S	S	.	.	H	α-helix	trans	-123.1	-13.1	-178.8	-79.5	-90.2	0	0	0	114.2	I78 T80 V83 Q84 F98	I78-F86 HydrophobicContact CD1-CE1 4.3Å; I78-F86 HydrophobicContact CG2-CZ 4.23Å; T80-F86 HydrophobicContact CG2-CD2 3.9Å; T80-F86 HydrophobicContact CG2-CE2 3.89Å; T80-F86 WeakPolarHBondContact OG1-CE2 3.27Å; V83-F86 PolarHBondContact O-N 3.23Å; Q84-F86 VanDerWaalsContact C-N 3.25Å; Q84-F86 PolarHBondContact O-N 3.04Å; F86-F98 HydrophobicContact CB-CE1 3.95Å; F86-F98 HydrophobicContact CB-CZ 4.09Å
87	A	48	Very low	52.5	Low	17 Å²	17	73.5 Å²	73.5	14%	0.14	41%	0.405	C	S	.	.	H	α-helix	trans	-82.1	-31.3	177.3	0	0	0	0	0	113.1	V83 Y110 L111	V83-A87 PolarHBondContact O-N 3.18Å; A87-Y110 HydrophobicContact CB-CE1 3.53Å; A87-L111 HydrophobicContact CB-CD2 4.15Å
88	D	46.6	Very low	52.9	Low	114 Å²	114	70.5 Å²	70.5	61%	0.61	39%	0.392	S	S	*	.	S	Bend	trans	-95	11.8	-176.5	-60.1	-14.4	0	0	0	112.9	Y110	D88-Y110 PolarHBondContact OD1-OH 3.49Å; D88-Y110 PolarHBondContact OD2-OH 3.37Å
89	G	46.3	Very low	52.9	Low	35 Å²	35	68 Å²	68	36%	0.361	38%	0.379	S	S	.	.			trans	-110.3	96.4	-171.4	0	0	0	0	0	114.2	N91	G89-N91 PolarHBondContact O-N 2.58Å; G89-N91 PolarHBondContact O-ND2 3.19Å
90	D	43.6	Very low	53.1	Low	167 Å²	167	63.1 Å²	63.1	89%	0.893	36%	0.358	S	S	*	.			trans	-55.7	91.4	175.3	-81.5	-35.8	0	0	0	112.5
91	N	47.2	Very low	53	Low	91 Å²	91	64.3 Å²	64.3	49%	0.487	37%	0.365	S	S	.	.			trans	-109	86.9	169.6	-73.8	-93.1	0	0	0	108.5	G89 D93 F94	G89-N91 PolarHBondContact O-N 2.58Å; G89-N91 PolarHBondContact O-ND2 3.19Å; N91-D93 PolarHBondContact O-N 2.95Å; N91-F94 PolarHBondContact O-N 3.13Å
92	T	47.5	Very low	53.2	Low	124 Å²	124	61.4 Å²	61.4	76%	0.761	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-13.1	-179.5	43.4	0	0	0	0	115.1
93	D	44.7	Very low	53.6	Low	104 Å²	104	57.4 Å²	57.4	56%	0.556	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-15.1	-167.4	-50.6	-11.3	0	0	0	112.8	N91	N91-D93 PolarHBondContact O-N 2.95Å
94	F	52.7	Low	53.6	Low	51 Å²	51	61.7 Å²	61.7	22%	0.224	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	126.1	-172.1	-61.5	-87.8	0	0	0	113.3	E51 R53 N91 T96	E51-F94 HydrophobicContact CB-CD1 3.7Å; E51-F94 HydrophobicContact CB-CE1 3.82Å; E51-F94 VanDerWaalsContact O-CA 3.31Å; E51-F94 WeakPolarHBondContact O-CA 3.42Å; R53-F94 HydrophobicContact CB-CB 4.18Å; R53-F94 HydrophobicContact CB-CD1 4.44Å; R53-F94 VanDerWaalsContact NH2-CE1 3.26Å; R53-F94 VanDerWaalsContact NH2-CG 3.33Å; N91-F94 PolarHBondContact O-N 3.13Å; F94-T96 PolarHBondContact O-N 2.97Å; F94-T96 VanDerWaalsContact O-N 3.16Å; F94-T96 PolarHBondContact O-OG1 2.83Å
95	E	53.4	Low	54	Low	58 Å²	58	57.2 Å²	57.2	27%	0.271	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	105.5	174	-170.4	-161.8	170.4	0	0	108.9	V50 E51 T52 R53 R117 F136	V50-E95 HydrophobicContact CG1-CB 3.85Å; V50-E95 VanDerWaalsContact CG1-N 3.26Å; E51-E95 PolarHBondContact O-N 2.82Å; E51-E95 VanDerWaalsContact O-N 3.09Å; T52-E95 CarbonylContact C-O 3.58Å; T52-E95 WeakPolarHBondContact CA-O 3.37Å; R53-E95 PolarHBondContact N-O 2.57Å; E95-R117 WeakPolarHBondContact OE1-CD 3.45Å; E95-R117 IonicContact OE1-CZ 3.71Å; E95-R117 IonicContact OE1-NE 2.72Å; E95-R117 IonicContact OE1-NH1 2.64Å; E95-R117 PolarHBondContact OE1-NH1 2.91Å; E95-R117 IonicContact OE2-NH1 3.14Å; E95-R117 PolarHBondContact OE2-NH1 3.19Å; E95-F136 VanDerWaalsContact OE2-CE1 3.25Å; E95-F136 WeakPolarHBondContact OE2-CE1 3.38Å
96	T	58.3	Low	54.5	Low	33 Å²	33	59.2 Å²	59.2	20%	0.202	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	120.7	-171.7	-59.8	0	0	0	0	111.6	R53 V55 F94 F98	R53-T96 CarbonylContact O-C 3.41Å; R53-T96 WeakPolarHBondContact O-CA 3.49Å; V55-T96 HydrophobicContact CB-CG2 4.49Å; V55-T96 HydrophobicContact CG2-CG2 3.58Å; F94-T96 PolarHBondContact O-N 2.97Å; F94-T96 VanDerWaalsContact O-N 3.16Å; F94-T96 PolarHBondContact O-OG1 2.83Å; T96-F98 HydrophobicContact CG2-CD2 4.23Å; T96-F98 HydrophobicContact CG2-CE1 4.4Å; T96-F98 HydrophobicContact CG2-CE2 3.59Å; T96-F98 HydrophobicContact CG2-CZ 3.7Å
97	V	61.4	Low	54.7	Low	1 Å²	1	58.7 Å²	58.7	1%	0.006	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	111.9	-176.8	-179.8	0	0	0	0	109.9	T52 R53 V54 V55 R117 V119	T52-V97 HydrophobicContact CG2-CG2 3.47Å; T52-V97 VanDerWaalsContact CG2-CG2 3.47Å; R53-V97 PolarHBondContact O-N 2.73Å; V54-V97 CarbonylContact C-O 3.06Å; V54-V97 WeakPolarHBondContact CA-O 3.14Å; V54-V97 HydrophobicContact CG2-CB 4.42Å; V55-V97 PolarHBondContact N-O 2.8Å; V97-R117 CarbonylContact C-O 3.51Å; V97-R117 WeakPolarHBondContact CA-O 3.32Å; V97-R117 HydrophobicContact CG1-CG 4.37Å; V97-R117 HydrophobicContact CG2-CB 4.41Å; V97-R117 HydrophobicContact CG2-CG 4.1Å; V97-V119 HydrophobicContact CG1-CB 4Å; V97-V119 HydrophobicContact CG1-CG2 3.53Å
98	F	64.7	Low	55.4	Low	1 Å²	1	59 Å²	59	0%	0.004	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129.4	-178.8	-65	-94.3	0	0	0	110.9	V55 V57 F86 T96 L111 N116 R117 I118 V119	V55-F98 HydrophobicContact CB-CD1 3.87Å; V55-F98 HydrophobicContact CB-CE1 4.1Å; V55-F98 HydrophobicContact CB-CG 4.49Å; V55-F98 HydrophobicContact CG1-CD1 3.89Å; V55-F98 HydrophobicContact CG1-CE1 4.01Å; V55-F98 HydrophobicContact CG2-CE1 4.35Å; V55-F98 WeakPolarHBondContact O-CA 3.49Å; V57-F98 HydrophobicContact CG2-CD1 4.06Å; F86-F98 HydrophobicContact CB-CE1 3.95Å; F86-F98 HydrophobicContact CB-CZ 4.09Å; T96-F98 HydrophobicContact CG2-CD2 4.23Å; T96-F98 HydrophobicContact CG2-CE1 4.4Å; T96-F98 HydrophobicContact CG2-CE2 3.59Å; T96-F98 HydrophobicContact CG2-CZ 3.7Å; F98-L111 HydrophobicContact CB-CD1 3.83Å; F98-L111 HydrophobicContact CD1-CD1 4.03Å; F98-L111 HydrophobicContact CD1-CD2 3.89Å; F98-L111 HydrophobicContact CD2-CD2 3.79Å; F98-L111 HydrophobicContact CE1-CD2 3.96Å; F98-L111 HydrophobicContact CE2-CD2 3.87Å; F98-L111 HydrophobicContact CG-CD1 3.9Å; F98-L111 HydrophobicContact CG-CD2 3.8Å; F98-L111 HydrophobicContact CZ-CD2 3.95Å; F98-N116 HydrophobicContact CD2-CB 3.96Å; F98-N116 HydrophobicContact CE2-CB 3.94Å; F98-N116 WeakPolarHBondContact CE2-OD1 3.42Å; F98-R117 PolarHBondContact N-O 3Å; F98-I118 CarbonylContact O-C 3.59Å; F98-I118 WeakPolarHBondContact O-CA 3.32Å; F98-V119 PolarHBondContact O-N 2.64Å
99	V	61.9	Low	56.1	Low	0 Å²	0	57 Å²	57	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.3	177.2	-177.9	0	0	0	0	110.7	V54 V55 L56 V57 A60 L66 V119 P121 V124	V54-V99 HydrophobicContact CG1-CG2 3.55Å; V55-V99 PolarHBondContact O-N 3.45Å; L56-V99 HydrophobicContact CD2-CB 3.85Å; L56-V99 HydrophobicContact CD2-CG1 4.19Å; L56-V99 HydrophobicContact CD2-CG2 4.16Å; V57-V99 PolarHBondContact N-O 2.99Å; V57-V99 VanDerWaalsContact N-O 3.13Å; A60-V99 HydrophobicContact CB-CG1 4.11Å; L66-V99 HydrophobicContact CD2-CG1 4.1Å; V99-V119 VanDerWaalsContact CA-O 3.27Å; V99-V119 WeakPolarHBondContact CA-O 3.49Å; V99-V119 HydrophobicContact CG2-CB 4.41Å; V99-P121 HydrophobicContact CG1-CG 3.91Å; V99-V124 HydrophobicContact CG2-CG2 4.29Å
100	L	63.9	Low	56.7	Low	6 Å²	6	57.6 Å²	57.6	3%	0.031	32%	0.324	C	S	.	.			trans	-116.3	135.1	-178.7	-70.7	173.9	0	0	0	111.2	V57 F103 D107 Y108 L111 I118 V119 P121	V57-L100 HydrophobicContact CB-CD2 3.77Å; V57-L100 HydrophobicContact CG1-CD2 3.68Å; V57-L100 HydrophobicContact CG2-CD2 4.27Å; L100-F103 HydrophobicContact CB-CD1 4.17Å; L100-F103 HydrophobicContact CB-CE1 4.16Å; L100-D107 HydrophobicContact CD2-CB 4.19Å; L100-Y108 HydrophobicContact CD1-CD2 4.19Å; L100-L111 HydrophobicContact CD1-CD1 4.09Å; L100-I118 HydrophobicContact CB-CG2 4.4Å; L100-I118 HydrophobicContact CD1-CG2 3.79Å; L100-I118 HydrophobicContact CG-CG2 4.2Å; L100-V119 PolarHBondContact N-O 3.09Å; L100-P121 WeakPolarHBondContact O-CD 3.42Å
101	T	57.6	Low	57.6	Low	55 Å²	55	49.7 Å²	49.7	34%	0.337	28%	0.282	S	S	.	.	S	Bend	trans	-73.8	-23	174.8	41.3	0	0	0	0	113.8	E59 A60 P121 Y142	E59-T101 HydrophobicContact CB-CG2 4.01Å; A60-T101 HydrophobicContact CB-CG2 4.22Å; T101-P121 HydrophobicContact CG2-CG 4.09Å; T101-Y142 WeakPolarHBondContact O-CE2 3.28Å; T101-Y142 PolarHBondContact O-OH 3.11Å
102	D	59.8	Low	58.2	Low	70 Å²	70	51.6 Å²	51.6	37%	0.374	28%	0.283	S	S	.	.			trans	-142.1	128	176.5	-175.1	10	0	0	0	110.9	S104	D102-S104 PolarHBondContact O-N 3.28Å; D102-S104 VanDerWaalsContact OD1-CB 3.26Å; D102-S104 WeakPolarHBondContact OD1-CB 3.42Å; D102-S104 PolarHBondContact OD1-N 3.5Å; D102-S104 PolarHBondContact OD1-OG 3.32Å; D102-S104 VanDerWaalsContact OD2-CB 3.3Å; D102-S104 WeakPolarHBondContact OD2-CB 3.27Å; D102-S104 PolarHBondContact OD2-OG 3.27Å
103	F	62.2	Low	58.9	Low	17 Å²	17	53 Å²	53	8%	0.075	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	6	174.7	-74.4	14.9	0	0	0	112.1	L100 Y108 I118 P140 Y142 H171	L100-F103 HydrophobicContact CB-CD1 4.17Å; L100-F103 HydrophobicContact CB-CE1 4.16Å; F103-Y108 HydrophobicContact CB-CD1 4.47Å; F103-Y108 HydrophobicContact CB-CD2 3.72Å; F103-Y108 HydrophobicContact CB-CE2 3.88Å; F103-Y108 HydrophobicContact CB-CG 4.05Å; F103-Y108 AromaticContact CD1-CD2 3.85Å; F103-Y108 HydrophobicContact CD1-CD2 3.85Å; F103-Y108 HydrophobicContact CD1-CE2 4.19Å; F103-Y108 HydrophobicContact CD2-CD2 4Å; F103-Y108 AromaticContact CD2-CE2 3.5Å; F103-Y108 HydrophobicContact CD2-CE2 3.5Å; F103-Y108 HydrophobicContact CE1-CD2 4.5Å; F103-Y108 HydrophobicContact CE2-CE2 4.04Å; F103-Y108 AromaticContact CG-CD2 3.58Å; F103-Y108 HydrophobicContact CG-CD2 3.58Å; F103-Y108 AromaticContact CG-CE2 3.59Å; F103-Y108 HydrophobicContact CG-CE2 3.59Å; F103-Y108 HydrophobicContact CG-CG 4.4Å; F103-Y108 WeakPolarHBondContact O-CD1 3.16Å; F103-Y108 VanDerWaalsContact O-CG 3.25Å; F103-I118 HydrophobicContact CD1-CG2 4.34Å; F103-I118 HydrophobicContact CE1-CG2 3.58Å; F103-I118 HydrophobicContact CZ-CB 4.46Å; F103-I118 HydrophobicContact CZ-CG2 3.74Å; F103-P140 HydrophobicContact CE2-CB 3.96Å; F103-P140 HydrophobicContact CZ-CB 4.48Å; F103-Y142 AromaticContact CD1-CD2 3.73Å; F103-Y142 HydrophobicContact CD1-CD2 3.73Å; F103-Y142 HydrophobicContact CD1-CE2 4.46Å; F103-Y142 HydrophobicContact CD2-CD2 4.28Å; F103-Y142 AromaticContact CE1-CD2 3.84Å; F103-Y142 HydrophobicContact CE1-CD2 3.84Å; F103-Y142 HydrophobicContact CE2-CD2 4.39Å; F103-Y142 AromaticContact CG-CD2 3.96Å; F103-Y142 HydrophobicContact CG-CD2 3.96Å; F103-Y142 HydrophobicContact CZ-CD2 4.18Å; F103-H171 HydrophobicContact CD2-CB 4.48Å; F103-H171 AromaticContact CD2-ND1 3.97Å
104	S	53.3	Low	59.6	Low	98 Å²	98	52.1 Å²	52.1	69%	0.685	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-7.3	172.1	-35.9	0	0	0	0	113.3	D102	D102-S104 PolarHBondContact O-N 3.28Å; D102-S104 VanDerWaalsContact OD1-CB 3.26Å; D102-S104 WeakPolarHBondContact OD1-CB 3.42Å; D102-S104 PolarHBondContact OD1-N 3.5Å; D102-S104 PolarHBondContact OD1-OG 3.32Å; D102-S104 VanDerWaalsContact OD2-CB 3.3Å; D102-S104 WeakPolarHBondContact OD2-CB 3.27Å; D102-S104 PolarHBondContact OD2-OG 3.27Å
105	S	60.1	Low	59.8	Low	24 Å²	24	58.8 Å²	58.8	17%	0.168	30%	0.303	C	S	.	.	S	Bend	trans	-66.9	149.1	-177.8	-178.3	0	0	0	0	113	D107 Y108 T109	S105-D107 PolarHBondContact O-N 3.1Å; S105-D107 WeakPolarHBondContact OG-CB 3.15Å; S105-D107 VanDerWaalsContact OG-CG 3.27Å; S105-D107 PolarHBondContact OG-N 2.84Å; S105-D107 PolarHBondContact OG-OD2 3.35Å; S105-Y108 WeakPolarHBondContact O-CB 3.42Å; S105-Y108 PolarHBondContact O-N 3.15Å; S105-Y108 VanDerWaalsContact O-N 3.13Å; S105-T109 PolarHBondContact O-N 3.46Å; S105-T109 PolarHBondContact O-OG1 2.92Å
106	P	57.3	Low	60.3	Low	103 Å²	103	57.9 Å²	57.9	67%	0.669	30%	0.3	S	S	*	.	H	α-helix	trans	-50.8	-31.5	160.6	22.5	-35.3	0	0	0	113.1	Y108 T109 Y110	P106-Y108 PolarHBondContact O-N 2.83Å; P106-T109 CarbonylContact O-C 3.51Å; P106-T109 WeakPolarHBondContact O-CB 3.33Å; P106-T109 PolarHBondContact O-N 3.48Å; P106-T109 VanDerWaalsContact O-N 3.15Å; P106-Y110 PolarHBondContact O-N 3.33Å
107	D	58	Low	60.5	Low	63 Å²	63	57.4 Å²	57.4	34%	0.337	29%	0.294	S	S	.	.	H	α-helix	trans	-61	-43.4	176.5	-55.8	-53.2	0	0	0	112.3	V83 L100 S105 T109 Y110 L111	V83-D107 HydrophobicContact CG2-CB 4.1Å; L100-D107 HydrophobicContact CD2-CB 4.19Å; S105-D107 PolarHBondContact O-N 3.1Å; S105-D107 WeakPolarHBondContact OG-CB 3.15Å; S105-D107 VanDerWaalsContact OG-CG 3.27Å; S105-D107 PolarHBondContact OG-N 2.84Å; S105-D107 PolarHBondContact OG-OD2 3.35Å; D107-T109 VanDerWaalsContact C-N 3.33Å; D107-Y110 PolarHBondContact O-N 2.93Å; D107-L111 PolarHBondContact O-N 3.4Å
108	Y	63.8	Low	60.8	Low	24 Å²	24	57.4 Å²	57.4	9%	0.094	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-44.2	173.9	173.1	-92.7	0	0	0	110.5	L100 F103 S105 P106 Y110 L111 Y112 I118 P140 H171	L100-Y108 HydrophobicContact CD1-CD2 4.19Å; F103-Y108 HydrophobicContact CB-CD1 4.47Å; F103-Y108 HydrophobicContact CB-CD2 3.72Å; F103-Y108 HydrophobicContact CB-CE2 3.88Å; F103-Y108 HydrophobicContact CB-CG 4.05Å; F103-Y108 AromaticContact CD1-CD2 3.85Å; F103-Y108 HydrophobicContact CD1-CD2 3.85Å; F103-Y108 HydrophobicContact CD1-CE2 4.19Å; F103-Y108 HydrophobicContact CD2-CD2 4Å; F103-Y108 AromaticContact CD2-CE2 3.5Å; F103-Y108 HydrophobicContact CD2-CE2 3.5Å; F103-Y108 HydrophobicContact CE1-CD2 4.5Å; F103-Y108 HydrophobicContact CE2-CE2 4.04Å; F103-Y108 AromaticContact CG-CD2 3.58Å; F103-Y108 HydrophobicContact CG-CD2 3.58Å; F103-Y108 AromaticContact CG-CE2 3.59Å; F103-Y108 HydrophobicContact CG-CE2 3.59Å; F103-Y108 HydrophobicContact CG-CG 4.4Å; F103-Y108 WeakPolarHBondContact O-CD1 3.16Å; F103-Y108 VanDerWaalsContact O-CG 3.25Å; S105-Y108 WeakPolarHBondContact O-CB 3.42Å; S105-Y108 PolarHBondContact O-N 3.15Å; S105-Y108 VanDerWaalsContact O-N 3.13Å; P106-Y108 PolarHBondContact O-N 2.83Å; Y108-Y110 VanDerWaalsContact C-N 3.25Å; Y108-Y110 PolarHBondContact O-N 3.25Å; Y108-L111 PolarHBondContact O-N 3.18Å; Y108-Y112 HydrophobicContact CE1-CG 4.46Å; Y108-Y112 WeakPolarHBondContact O-CB 3.36Å; Y108-Y112 PolarHBondContact O-N 2.7Å; Y108-I118 HydrophobicContact CD2-CD1 3.6Å; Y108-I118 HydrophobicContact CD2-CG2 4.34Å; Y108-I118 HydrophobicContact CE2-CD1 3.77Å; Y108-I118 HydrophobicContact CG-CD1 4.48Å; Y108-P140 HydrophobicContact CE2-CB 3.98Å; Y108-P140 HydrophobicContact CE2-CG 4.29Å; Y108-P140 WeakPolarHBondContact OH-CG 3.32Å; Y108-H171 PolarHBondContact OH-CE1 3Å
109	T	59.9	Low	60.9	Low	73 Å²	73	57.6 Å²	57.6	45%	0.448	30%	0.295	S	S	.	.	H	α-helix	trans	-65.8	-27.8	179.4	-57.5	0	0	0	0	112.7	S105 P106 D107 K113	S105-T109 PolarHBondContact O-N 3.46Å; S105-T109 PolarHBondContact O-OG1 2.92Å; P106-T109 CarbonylContact O-C 3.51Å; P106-T109 WeakPolarHBondContact O-CB 3.33Å; P106-T109 PolarHBondContact O-N 3.48Å; P106-T109 VanDerWaalsContact O-N 3.15Å; D107-T109 VanDerWaalsContact C-N 3.33Å; T109-K113 WeakPolarHBondContact O-CD 3.36Å; T109-K113 VanDerWaalsContact O-CG 3.29Å; T109-K113 WeakPolarHBondContact O-CG 3.49Å
110	Y	59.5	Low	61.3	Low	47 Å²	47	57.6 Å²	57.6	18%	0.184	30%	0.295	C	S	.	.	H	α-helix	trans	-78.7	-51.9	172.9	172	-103	0	0	0	111.4	V83 Q84 A87 D88 P106 D107 Y108 Y112 K113 H114	V83-Y110 HydrophobicContact CG1-CD1 3.98Å; V83-Y110 HydrophobicContact CG1-CE1 4.19Å; Q84-Y110 HydrophobicContact CB-CE1 4.35Å; Q84-Y110 HydrophobicContact CG-CD1 4.32Å; Q84-Y110 HydrophobicContact CG-CE1 3.7Å; Q84-Y110 HydrophobicContact CG-CE2 4.2Å; A87-Y110 HydrophobicContact CB-CE1 3.53Å; D88-Y110 PolarHBondContact OD1-OH 3.49Å; D88-Y110 PolarHBondContact OD2-OH 3.37Å; P106-Y110 PolarHBondContact O-N 3.33Å; D107-Y110 PolarHBondContact O-N 2.93Å; Y108-Y110 VanDerWaalsContact C-N 3.25Å; Y108-Y110 PolarHBondContact O-N 3.25Å; Y110-Y112 VanDerWaalsContact C-N 3.34Å; Y110-Y112 PolarHBondContact O-N 3.45Å; Y110-K113 WeakPolarHBondContact O-CB 3.49Å; Y110-K113 PolarHBondContact O-N 3.28Å; Y110-K113 VanDerWaalsContact O-N 3.1Å; Y110-H114 AromaticContact CD2-CE1 3.46Å; Y110-H114 VanDerWaalsContact CD2-CE1 3.46Å; Y110-H114 WeakPolarHBondContact CD2-CE1 3.33Å; Y110-H114 AromaticContact CD2-ND1 3.86Å; Y110-H114 AromaticContact CE2-CE1 3.2Å; Y110-H114 WeakPolarHBondContact CE2-CE1 3.49Å; Y110-H114 AromaticContact CE2-ND1 3.77Å; Y110-H114 AromaticContact CE2-NE2 3.92Å; Y110-H114 AromaticContact CZ-CE1 3.88Å; Y110-H114 PolarHBondContact O-ND1 3.14Å
111	L	62.3	Low	61.4	Low	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.1	-40.8	179	-77.5	165.3	0	0	0	112.9	V83 A87 F98 L100 D107 Y108 K113 H114 E115 N116 I118	V83-L111 HydrophobicContact CG1-CD1 3.61Å; V83-L111 HydrophobicContact CG1-CD2 3.72Å; V83-L111 HydrophobicContact CG1-CG 3.51Å; A87-L111 HydrophobicContact CB-CD2 4.15Å; F98-L111 HydrophobicContact CB-CD1 3.83Å; F98-L111 HydrophobicContact CD1-CD1 4.03Å; F98-L111 HydrophobicContact CD1-CD2 3.89Å; F98-L111 HydrophobicContact CD2-CD2 3.79Å; F98-L111 HydrophobicContact CE1-CD2 3.96Å; F98-L111 HydrophobicContact CE2-CD2 3.87Å; F98-L111 HydrophobicContact CG-CD1 3.9Å; F98-L111 HydrophobicContact CG-CD2 3.8Å; F98-L111 HydrophobicContact CZ-CD2 3.95Å; L100-L111 HydrophobicContact CD1-CD1 4.09Å; D107-L111 PolarHBondContact O-N 3.4Å; Y108-L111 PolarHBondContact O-N 3.18Å; L111-K113 PolarHBondContact O-N 2.65Å; L111-H114 PolarHBondContact O-N 3.04Å; L111-H114 VanDerWaalsContact O-N 3.08Å; L111-E115 PolarHBondContact O-N 3.39Å; L111-N116 HydrophobicContact CD2-CB 3.94Å; L111-N116 PolarHBondContact O-N 2.96Å; L111-I118 HydrophobicContact CB-CD1 3.64Å; L111-I118 HydrophobicContact CB-CG1 4.14Å
112	Y	60.8	Low	61.7	Low	132 Å²	132	55.6 Å²	55.6	52%	0.518	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-64.2	-24.9	178	-173.9	-96.4	0	0	0	113.3	Y108 Y110 P140	Y108-Y112 HydrophobicContact CE1-CG 4.46Å; Y108-Y112 WeakPolarHBondContact O-CB 3.36Å; Y108-Y112 PolarHBondContact O-N 2.7Å; Y110-Y112 VanDerWaalsContact C-N 3.34Å; Y110-Y112 PolarHBondContact O-N 3.45Å; Y112-P140 HydrophobicContact CD2-CG 3.88Å; Y112-P140 HydrophobicContact CE2-CG 3.81Å
113	K	60.5	Low	61.7	Low	154 Å²	154	52.7 Å²	52.7	67%	0.67	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-79.8	-16.5	174.7	-76.3	173.7	-179.5	177.7	0	114	T109 Y110 L111	T109-K113 WeakPolarHBondContact O-CD 3.36Å; T109-K113 VanDerWaalsContact O-CG 3.29Å; T109-K113 WeakPolarHBondContact O-CG 3.49Å; Y110-K113 WeakPolarHBondContact O-CB 3.49Å; Y110-K113 PolarHBondContact O-N 3.28Å; Y110-K113 VanDerWaalsContact O-N 3.1Å; L111-K113 PolarHBondContact O-N 2.65Å
114	H	59.4	Low	61.8	Low	85 Å²	85	52 Å²	52	39%	0.394	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-109.2	22.8	-179.8	-58.9	83.3	0	0	0	111.2	Y110 L111 N116	Y110-H114 AromaticContact CD2-CE1 3.46Å; Y110-H114 VanDerWaalsContact CD2-CE1 3.46Å; Y110-H114 WeakPolarHBondContact CD2-CE1 3.33Å; Y110-H114 AromaticContact CD2-ND1 3.86Å; Y110-H114 AromaticContact CE2-CE1 3.2Å; Y110-H114 WeakPolarHBondContact CE2-CE1 3.49Å; Y110-H114 AromaticContact CE2-ND1 3.77Å; Y110-H114 AromaticContact CE2-NE2 3.92Å; Y110-H114 AromaticContact CZ-CE1 3.88Å; Y110-H114 PolarHBondContact O-ND1 3.14Å; L111-H114 PolarHBondContact O-N 3.04Å; L111-H114 VanDerWaalsContact O-N 3.08Å; H114-N116 PolarHBondContact O-N 2.9Å; H114-N116 PolarHBondContact O-ND2 2.89Å
115	E	56.8	Low	62.3	Low	190 Å²	190	49.3 Å²	49.3	89%	0.888	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	16.9	175.9	-54.5	-164.6	154.9	0	0	116.3	L111	L111-E115 PolarHBondContact O-N 3.39Å
116	N	63.7	Low	62.3	Low	39 Å²	39	49.6 Å²	49.6	21%	0.209	24%	0.242	C	C	.	.			trans	-68.8	145.7	-177.3	-83.6	-70.9	0	0	0	112.8	F98 L111 H114 I118	F98-N116 HydrophobicContact CD2-CB 3.96Å; F98-N116 HydrophobicContact CE2-CB 3.94Å; F98-N116 WeakPolarHBondContact CE2-OD1 3.42Å; L111-N116 HydrophobicContact CD2-CB 3.94Å; L111-N116 PolarHBondContact O-N 2.96Å; H114-N116 PolarHBondContact O-N 2.9Å; H114-N116 PolarHBondContact O-ND2 2.89Å; N116-I118 WeakPolarHBondContact O-CG1 3.49Å; N116-I118 PolarHBondContact O-N 3.14Å
117	R	63.3	Low	62.3	Low	24 Å²	24	44.7 Å²	44.7	9%	0.091	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	107.8	-179.5	-176.3	169.5	165.9	-156.4	-4.3	110.6	E95 V97 F98 L134 H135	E95-R117 WeakPolarHBondContact OE1-CD 3.45Å; E95-R117 IonicContact OE1-CZ 3.71Å; E95-R117 IonicContact OE1-NE 2.72Å; E95-R117 IonicContact OE1-NH1 2.64Å; E95-R117 PolarHBondContact OE1-NH1 2.91Å; E95-R117 IonicContact OE2-NH1 3.14Å; E95-R117 PolarHBondContact OE2-NH1 3.19Å; V97-R117 CarbonylContact C-O 3.51Å; V97-R117 WeakPolarHBondContact CA-O 3.32Å; V97-R117 HydrophobicContact CG1-CG 4.37Å; V97-R117 HydrophobicContact CG2-CB 4.41Å; V97-R117 HydrophobicContact CG2-CG 4.1Å; F98-R117 PolarHBondContact N-O 3Å; R117-L134 PolarHBondContact NH2-O 3.24Å; R117-H135 VanDerWaalsContact NH2-C 3.33Å; R117-H135 PolarHBondContact NH2-O 3.47Å
118	I	68.4	Low	62.4	Low	1 Å²	1	42.6 Å²	42.6	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.9	-179.5	-45.8	177.1	0	0	0	111.1	F98 L100 F103 Y108 L111 N116 P140 L141	F98-I118 CarbonylContact O-C 3.59Å; F98-I118 WeakPolarHBondContact O-CA 3.32Å; L100-I118 HydrophobicContact CB-CG2 4.4Å; L100-I118 HydrophobicContact CD1-CG2 3.79Å; L100-I118 HydrophobicContact CG-CG2 4.2Å; F103-I118 HydrophobicContact CD1-CG2 4.34Å; F103-I118 HydrophobicContact CE1-CG2 3.58Å; F103-I118 HydrophobicContact CZ-CB 4.46Å; F103-I118 HydrophobicContact CZ-CG2 3.74Å; Y108-I118 HydrophobicContact CD2-CD1 3.6Å; Y108-I118 HydrophobicContact CD2-CG2 4.34Å; Y108-I118 HydrophobicContact CE2-CD1 3.77Å; Y108-I118 HydrophobicContact CG-CD1 4.48Å; L111-I118 HydrophobicContact CB-CD1 3.64Å; L111-I118 HydrophobicContact CB-CG1 4.14Å; N116-I118 WeakPolarHBondContact O-CG1 3.49Å; N116-I118 PolarHBondContact O-N 3.14Å; I118-P140 HydrophobicContact CB-CB 3.9Å; I118-P140 HydrophobicContact CD1-CB 4.49Å; I118-P140 HydrophobicContact CG1-CB 4.48Å; I118-P140 VanDerWaalsContact O-CA 3.3Å; I118-P140 WeakPolarHBondContact O-CA 3.21Å; I118-L141 PolarHBondContact O-N 3.43Å
119	V	67.3	Low	62.2	Low	4 Å²	4	44.8 Å²	44.8	2%	0.024	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.2	179.1	175.1	0	0	0	0	110.8	V97 F98 V99 L100 V123 V124 L141	V97-V119 HydrophobicContact CG1-CB 4Å; V97-V119 HydrophobicContact CG1-CG2 3.53Å; F98-V119 PolarHBondContact O-N 2.64Å; V99-V119 VanDerWaalsContact CA-O 3.27Å; V99-V119 WeakPolarHBondContact CA-O 3.49Å; V99-V119 HydrophobicContact CG2-CB 4.41Å; L100-V119 PolarHBondContact N-O 3.09Å; V119-V123 HydrophobicContact CG1-CB 3.64Å; V119-V123 HydrophobicContact CG1-CG1 3.98Å; V119-V123 HydrophobicContact CG1-CG2 3.97Å; V119-V124 HydrophobicContact CG1-CG2 4.06Å; V119-L141 CarbonylContact C-O 3.6Å; V119-L141 VanDerWaalsContact CA-O 3.29Å; V119-L141 WeakPolarHBondContact CA-O 3.28Å
120	G	69.4	Low	62.2	Low	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.225	C	C	.	.			trans	-94	149.8	172.7	0	0	0	0	0	113.1	P122 V123 L141 Y142	G120-P122 VanDerWaalsContact C-N 3.31Å; G120-V123 WeakPolarHBondContact O-CB 3.39Å; G120-V123 PolarHBondContact O-N 3.49Å; G120-L141 PolarHBondContact N-O 3.4Å; G120-Y142 WeakPolarHBondContact CA-O 3.2Å
121	P	66.7	Low	62	Low	12 Å²	12	52.7 Å²	52.7	8%	0.078	26%	0.257	C	S	.	.	H	α-helix	trans	-48.7	-39	176.1	-27.6	32.6	0	0	0	115.8	L66 V99 L100 T101 V123 V124 L125	L66-P121 HydrophobicContact CD1-CB 4.02Å; L66-P121 HydrophobicContact CD2-CB 4.05Å; L66-P121 HydrophobicContact CD2-CG 4.18Å; V99-P121 HydrophobicContact CG1-CG 3.91Å; L100-P121 WeakPolarHBondContact O-CD 3.42Å; T101-P121 HydrophobicContact CG2-CG 4.09Å; P121-V123 VanDerWaalsContact C-N 3.25Å; P121-V123 PolarHBondContact O-N 3.09Å; P121-V124 PolarHBondContact O-N 3.13Å; P121-L125 WeakPolarHBondContact O-CG 3.43Å; P121-L125 PolarHBondContact O-N 3.29Å; P121-L125 VanDerWaalsContact O-N 3.16Å
122	P	63.5	Low	61.7	Low	8 Å²	8	56.5 Å²	56.5	5%	0.052	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-30.7	177.9	-26.3	36.4	0	0	0	114.4	G120 H126 Y142 C143	G120-P122 VanDerWaalsContact C-N 3.31Å; P122-H126 VanDerWaalsContact O-CB 3.31Å; P122-H126 WeakPolarHBondContact O-CB 3.36Å; P122-H126 PolarHBondContact O-N 3.11Å; P122-Y142 HydrophobicContact CG-CD1 4.42Å; P122-Y142 HydrophobicContact CG-CE1 3.93Å; P122-C143 HydrophobicContact CB-CB 4.07Å
123	V	60.1	Low	61.5	Low	9 Å²	9	54.9 Å²	54.9	6%	0.055	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-47.9	177.8	-174.2	0	0	0	0	110.7	V119 G120 P121 L125 H126 C127 L141 Y142 T144	V119-V123 HydrophobicContact CG1-CB 3.64Å; V119-V123 HydrophobicContact CG1-CG1 3.98Å; V119-V123 HydrophobicContact CG1-CG2 3.97Å; G120-V123 WeakPolarHBondContact O-CB 3.39Å; G120-V123 PolarHBondContact O-N 3.49Å; P121-V123 VanDerWaalsContact C-N 3.25Å; P121-V123 PolarHBondContact O-N 3.09Å; V123-L125 VanDerWaalsContact C-N 3.33Å; V123-L125 PolarHBondContact O-N 2.6Å; V123-H126 WeakPolarHBondContact O-CB 3.38Å; V123-H126 PolarHBondContact O-N 3.49Å; V123-H126 VanDerWaalsContact O-N 3.08Å; V123-C127 PolarHBondContact O-N 3.3Å; V123-C127 PolarHBondContact O-SG 3.45Å; V123-L141 HydrophobicContact CB-CD2 4.49Å; V123-L141 HydrophobicContact CG1-CD2 4.25Å; V123-L141 HydrophobicContact CG2-CD2 3.39Å; V123-L141 WeakPolarHBondContact CG2-O 3.48Å; V123-Y142 WeakPolarHBondContact CG2-O 3.29Å; V123-T144 HydrophobicContact CG1-CG2 4.09Å
124	V	63.9	Low	61.4	Low	1 Å²	1	48.2 Å²	48.2	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-41.8	-178.4	-179.7	0	0	0	0	110.4	L66 A69 L70 I73 V99 V119 P121 H126 C127 A128 L134	L66-V124 HydrophobicContact CD1-CB 3.57Å; L66-V124 HydrophobicContact CD1-CG1 3.66Å; L66-V124 HydrophobicContact CD1-CG2 4.18Å; A69-V124 HydrophobicContact CB-CG1 4.27Å; L70-V124 HydrophobicContact CD1-CG1 4.5Å; L70-V124 HydrophobicContact CD2-CG1 3.53Å; L70-V124 HydrophobicContact CG-CG1 3.68Å; I73-V124 HydrophobicContact CD1-CG1 4.23Å; V99-V124 HydrophobicContact CG2-CG2 4.29Å; V119-V124 HydrophobicContact CG1-CG2 4.06Å; P121-V124 PolarHBondContact O-N 3.13Å; V124-H126 VanDerWaalsContact C-N 3.31Å; V124-H126 PolarHBondContact O-N 3.05Å; V124-C127 PolarHBondContact O-N 2.88Å; V124-A128 WeakPolarHBondContact O-CB 3.27Å; V124-A128 PolarHBondContact O-N 2.98Å; V124-L134 HydrophobicContact CG2-CD2 4.27Å
125	L	63.5	Low	61.3	Low	42 Å²	42	47.4 Å²	47.4	22%	0.22	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-37.2	172.9	-64.6	170.2	0	0	0	112.1	A65 L66 A69 P121 V123 A129 V223	A65-L125 HydrophobicContact CB-CD2 4.26Å; L66-L125 HydrophobicContact CD1-CG 4.48Å; A69-L125 HydrophobicContact CB-CD2 3.93Å; P121-L125 WeakPolarHBondContact O-CG 3.43Å; P121-L125 PolarHBondContact O-N 3.29Å; P121-L125 VanDerWaalsContact O-N 3.16Å; V123-L125 VanDerWaalsContact C-N 3.33Å; V123-L125 PolarHBondContact O-N 2.6Å; L125-A129 WeakPolarHBondContact O-CB 3.2Å; L125-A129 PolarHBondContact O-N 3.35Å; L125-A129 VanDerWaalsContact O-N 3.11Å; L125-V223 HydrophobicContact CB-CG1 3.91Å; L125-V223 HydrophobicContact CB-CG2 3.79Å; L125-V223 HydrophobicContact CD1-CG2 3.82Å; L125-V223 HydrophobicContact CG-CG2 4.46Å
126	H	59.4	Low	61	Low	30 Å²	30	45.9 Å²	45.9	14%	0.139	24%	0.239	C	C	.	.	H	α-helix	trans	-72.1	-38.3	178.3	-169.2	99.8	0	0	0	112.9	P122 V123 V124 K130 T144 V223	P122-H126 VanDerWaalsContact O-CB 3.31Å; P122-H126 WeakPolarHBondContact O-CB 3.36Å; P122-H126 PolarHBondContact O-N 3.11Å; V123-H126 WeakPolarHBondContact O-CB 3.38Å; V123-H126 PolarHBondContact O-N 3.49Å; V123-H126 VanDerWaalsContact O-N 3.08Å; V124-H126 VanDerWaalsContact C-N 3.31Å; V124-H126 PolarHBondContact O-N 3.05Å; H126-K130 VanDerWaalsContact NE2-CE 3.31Å; H126-K130 WeakPolarHBondContact NE2-CE 3.26Å; H126-K130 PolarHBondContact NE2-NZ 3.4Å; H126-T144 HydrophobicContact CB-CG2 4.49Å; H126-T144 PolarHBondContact ND1-OG1 3.28Å; H126-V223 HydrophobicContact CB-CG1 4.08Å; H126-V223 PolarHBondContact ND1-O 3.48Å
127	C	58.9	Low	60.7	Low	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66	-44.4	174.1	-70.3	0	0	0	0	111.5	I73 V123 V124 A129 K130 E131 E132 L134	I73-C127 HydrophobicContact CD1-CB 3.92Å; V123-C127 PolarHBondContact O-N 3.3Å; V123-C127 PolarHBondContact O-SG 3.45Å; V124-C127 PolarHBondContact O-N 2.88Å; C127-A129 VanDerWaalsContact C-N 3.32Å; C127-A129 PolarHBondContact O-N 3.49Å; C127-K130 PolarHBondContact O-N 3.5Å; C127-E131 PolarHBondContact O-N 2.77Å; C127-E132 WeakPolarHBondContact CB-O 3.5Å; C127-E132 PolarHBondContact O-N 3.26Å; C127-L134 HydrophobicContact CB-CD2 4.17Å
128	A	59.3	Low	60	Low	20 Å²	20	51 Å²	51	17%	0.165	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-38.3	176.2	0	0	0	0	0	112.4	A69 I73 V124 K130 E131	A69-A128 HydrophobicContact CB-CB 3.53Å; I73-A128 HydrophobicContact CD1-CB 3.87Å; I73-A128 HydrophobicContact CG1-CB 3.82Å; V124-A128 WeakPolarHBondContact O-CB 3.27Å; V124-A128 PolarHBondContact O-N 2.98Å; A128-K130 PolarHBondContact O-N 3.36Å; A128-K130 VanDerWaalsContact O-N 3.11Å; A128-E131 PolarHBondContact O-N 2.86Å
129	A	60.2	Low	59.6	Low	69 Å²	69	56.1 Å²	56.1	57%	0.57	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-4.3	175.4	0	0	0	0	0	114.6	L125 C127	L125-A129 WeakPolarHBondContact O-CB 3.2Å; L125-A129 PolarHBondContact O-N 3.35Å; L125-A129 VanDerWaalsContact O-N 3.11Å; C127-A129 VanDerWaalsContact C-N 3.32Å; C127-A129 PolarHBondContact O-N 3.49Å
130	K	58.7	Low	59.5	Low	105 Å²	105	56.7 Å²	56.7	46%	0.457	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-6	-179.7	-73.4	-178.7	169	175.3	0	115.1	H126 C127 A128 E132	H126-K130 VanDerWaalsContact NE2-CE 3.31Å; H126-K130 WeakPolarHBondContact NE2-CE 3.26Å; H126-K130 PolarHBondContact NE2-NZ 3.4Å; C127-K130 PolarHBondContact O-N 3.5Å; A128-K130 PolarHBondContact O-N 3.36Å; A128-K130 VanDerWaalsContact O-N 3.11Å; K130-E132 HydrophobicContact CB-CB 4.31Å; K130-E132 HydrophobicContact CB-CG 4.06Å; K130-E132 PolarHBondContact O-N 3.37Å
131	E	54.9	Low	59.3	Low	182 Å²	182	57.5 Å²	57.5	85%	0.85	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	25.8	-169.6	-54.3	-176.3	175.3	0	0	113.6	C127 A128	C127-E131 PolarHBondContact O-N 2.77Å; A128-E131 PolarHBondContact O-N 2.86Å
132	E	57.8	Low	59.3	Low	79 Å²	79	57.2 Å²	57.2	37%	0.369	31%	0.305	S	S	.	.			trans	-95.6	141.5	179.5	-74.9	-179	165.7	0	0	112.2	C127 K130 H135	C127-E132 WeakPolarHBondContact CB-O 3.5Å; C127-E132 PolarHBondContact O-N 3.26Å; K130-E132 HydrophobicContact CB-CB 4.31Å; K130-E132 HydrophobicContact CB-CG 4.06Å; K130-E132 PolarHBondContact O-N 3.37Å; E132-H135 IonicContact OE2-CE1 2.71Å; E132-H135 PolarHBondContact OE2-CE1 3.33Å; E132-H135 IonicContact OE2-NE2 2.72Å
133	P	56.1	Low	59.6	Low	99 Å²	99	57 Å²	57	64%	0.643	30%	0.303	S	S	*	.			trans	-68.9	149.5	175.7	29.7	-35.2	0	0	0	112	H135	P133-H135 PolarHBondContact O-N 2.78Å
134	L	59	Low	60.2	Low	14 Å²	14	57 Å²	57	7%	0.073	30%	0.303	C	S	.	.			trans	-56.6	106.2	-177.1	-67.1	173.6	0	0	0	112	V54 T75 R117 V124 C127 F136	V54-L134 HydrophobicContact CG2-CD1 3.73Å; T75-L134 HydrophobicContact CG2-CD1 4.46Å; R117-L134 PolarHBondContact NH2-O 3.24Å; V124-L134 HydrophobicContact CG2-CD2 4.27Å; C127-L134 HydrophobicContact CB-CD2 4.17Å; L134-F136 PolarHBondContact O-N 2.89Å
135	H	56	Low	60.8	Low	68 Å²	68	57 Å²	57	32%	0.315	30%	0.304	S	S	.	.			trans	-51.6	122.8	-175	-52.7	-47.1	0	0	0	112.6	R117 E132 P133 S137	R117-H135 VanDerWaalsContact NH2-C 3.33Å; R117-H135 PolarHBondContact NH2-O 3.47Å; E132-H135 IonicContact OE2-CE1 2.71Å; E132-H135 PolarHBondContact OE2-CE1 3.33Å; E132-H135 IonicContact OE2-NE2 2.72Å; P133-H135 PolarHBondContact O-N 2.78Å; H135-S137 PolarHBondContact O-N 3.47Å; H135-S137 PolarHBondContact O-OG 3.05Å
136	F	50.8	Low	61.6	Low	157 Å²	157	55 Å²	55	69%	0.689	29%	0.293	S	S	*	.			trans	-60.9	119.3	175	-62.4	-85.4	0	0	0	110	E95 L134	E95-F136 VanDerWaalsContact OE2-CE1 3.25Å; E95-F136 WeakPolarHBondContact OE2-CE1 3.38Å; L134-F136 PolarHBondContact O-N 2.89Å
137	S	56.9	Low	62.5	Low	27 Å²	27	55.2 Å²	55.2	19%	0.189	30%	0.295	C	S	.	.			trans	-142.3	117.4	-179.6	36.3	0	0	0	0	108.8	H135 R139	H135-S137 PolarHBondContact O-N 3.47Å; H135-S137 PolarHBondContact O-OG 3.05Å; S137-R139 PolarHBondContact O-N 2.71Å
138	C	48.3	Very low	63.5	Low	145 Å²	145	62.1 Å²	62.1	98%	0.98	33%	0.332	S	S	*	.	S	Bend	trans	-75	23	178.5	-50.4	0	0	0	0	112.3
139	R	61.8	Low	64.7	Low	107 Å²	107	61.7 Å²	61.7	40%	0.404	33%	0.327	S	S	.	.	S	Bend	trans	-149.1	141.4	-170.9	-63.9	-174	-178.5	-175.1	1.5	109.1	D23 S137 L141 H170	D23-R139 IonicContact OD2-CZ 2.66Å; D23-R139 IonicContact OD2-NH2 2.68Å; D23-R139 PolarHBondContact OD2-NH2 3.06Å; S137-R139 PolarHBondContact O-N 2.71Å; R139-L141 PolarHBondContact O-N 3.3Å; R139-H170 PolarHBondContact NH1-CD2 2.77Å; R139-H170 PolarHBondContact NH1-NE2 2.98Å
140	P	63.3	Low	65.9	Low	17 Å²	17	58.8 Å²	58.8	11%	0.11	30%	0.302	C	S	.	.			trans	-68	123.5	-175.7	29	-38	0	0	0	112.1	F103 Y108 Y112 I118 H171	F103-P140 HydrophobicContact CE2-CB 3.96Å; F103-P140 HydrophobicContact CZ-CB 4.48Å; Y108-P140 HydrophobicContact CE2-CB 3.98Å; Y108-P140 HydrophobicContact CE2-CG 4.29Å; Y108-P140 WeakPolarHBondContact OH-CG 3.32Å; Y112-P140 HydrophobicContact CD2-CG 3.88Å; Y112-P140 HydrophobicContact CE2-CG 3.81Å; I118-P140 HydrophobicContact CB-CB 3.9Å; I118-P140 HydrophobicContact CD1-CB 4.49Å; I118-P140 HydrophobicContact CG1-CB 4.48Å; I118-P140 VanDerWaalsContact O-CA 3.3Å; I118-P140 WeakPolarHBondContact O-CA 3.21Å; P140-H171 PolarHBondContact O-ND1 3.05Å
141	L	66.6	Low	67.4	Low	16 Å²	16	53.8 Å²	53.8	8%	0.084	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-124.9	108	-168.1	-161	160.4	0	0	0	110.8	I118 V119 G120 V123 R139 C143 H171	I118-L141 PolarHBondContact O-N 3.43Å; V119-L141 CarbonylContact C-O 3.6Å; V119-L141 VanDerWaalsContact CA-O 3.29Å; V119-L141 WeakPolarHBondContact CA-O 3.28Å; G120-L141 PolarHBondContact N-O 3.4Å; V123-L141 HydrophobicContact CB-CD2 4.49Å; V123-L141 HydrophobicContact CG1-CD2 4.25Å; V123-L141 HydrophobicContact CG2-CD2 3.39Å; V123-L141 WeakPolarHBondContact CG2-O 3.48Å; R139-L141 PolarHBondContact O-N 3.3Å; L141-C143 VanDerWaalsContact CD2-O 3.25Å; L141-C143 WeakPolarHBondContact CD2-O 3.35Å; L141-H171 CarbonylContact C-O 3.48Å
142	Y	66.9	Low	69.1	Low	7 Å²	7	45.1 Å²	45.1	3%	0.027	24%	0.24	C	C	.	.	S	Bend	trans	-83.1	-39.7	-176.3	-172.9	-77.8	0	0	0	113.1	T101 F103 G120 P122 V123 H171 W217 R220 D221	T101-Y142 WeakPolarHBondContact O-CE2 3.28Å; T101-Y142 PolarHBondContact O-OH 3.11Å; F103-Y142 AromaticContact CD1-CD2 3.73Å; F103-Y142 HydrophobicContact CD1-CD2 3.73Å; F103-Y142 HydrophobicContact CD1-CE2 4.46Å; F103-Y142 HydrophobicContact CD2-CD2 4.28Å; F103-Y142 AromaticContact CE1-CD2 3.84Å; F103-Y142 HydrophobicContact CE1-CD2 3.84Å; F103-Y142 HydrophobicContact CE2-CD2 4.39Å; F103-Y142 AromaticContact CG-CD2 3.96Å; F103-Y142 HydrophobicContact CG-CD2 3.96Å; F103-Y142 HydrophobicContact CZ-CD2 4.18Å; G120-Y142 WeakPolarHBondContact CA-O 3.2Å; P122-Y142 HydrophobicContact CG-CD1 4.42Å; P122-Y142 HydrophobicContact CG-CE1 3.93Å; V123-Y142 WeakPolarHBondContact CG2-O 3.29Å; Y142-H171 PolarHBondContact N-O 2.97Å; Y142-W217 HydrophobicContact CD1-CH2 4.15Å; Y142-W217 HydrophobicContact CD1-CZ3 4.32Å; Y142-W217 HydrophobicContact CD2-CH2 4.1Å; Y142-W217 AromaticContact CG-CH2 3.68Å; Y142-W217 HydrophobicContact CG-CH2 3.68Å; Y142-W217 HydrophobicContact CG-CZ3 4.15Å; Y142-R220 HydrophobicContact CD1-CB 4.06Å; Y142-R220 HydrophobicContact CD1-CG 4.03Å; Y142-R220 HydrophobicContact CE1-CB 3.96Å; Y142-R220 HydrophobicContact CE1-CG 3.49Å; Y142-R220 VanDerWaalsContact CE1-CG 3.49Å; Y142-R220 PolarHBondContact OH-NE 3.1Å; Y142-D221 WeakPolarHBondContact CE1-OD1 3.44Å; Y142-D221 PolarHBondContact OH-OD1 2.96Å
143	C	69.9	Low	70.5	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.02	23%	0.227	C	C	.	.			trans	-149.4	159.8	177.9	65.3	0	0	0	0	111.8	P122 L141 A145 H171 M172 R220	P122-C143 HydrophobicContact CB-CB 4.07Å; L141-C143 VanDerWaalsContact CD2-O 3.25Å; L141-C143 WeakPolarHBondContact CD2-O 3.35Å; C143-A145 VanDerWaalsContact C-N 3.31Å; C143-A145 PolarHBondContact O-N 2.68Å; C143-H171 PolarHBondContact N-O 2.93Å; C143-M172 CarbonylContact O-C 3.54Å; C143-M172 VanDerWaalsContact O-CA 3.27Å; C143-M172 WeakPolarHBondContact O-CA 3.45Å; C143-M172 VanDerWaalsContact O-O 3.09Å; C143-R220 HydrophobicContact CB-CB 4.48Å; C143-R220 WeakPolarHBondContact CB-O 3.43Å
144	T	72.1	Confident	72	Confident	8 Å²	8	38.5 Å²	38.5	5%	0.049	20%	0.202	C	C	.	.	S	Bend	trans	-87.4	8.4	-178.7	49	0	0	0	0	113.8	V123 H126 M146 L147	V123-T144 HydrophobicContact CG1-CG2 4.09Å; H126-T144 HydrophobicContact CB-CG2 4.49Å; H126-T144 PolarHBondContact ND1-OG1 3.28Å; T144-M146 VanDerWaalsContact C-N 3.27Å; T144-M146 PolarHBondContact O-N 2.9Å; T144-M146 VanDerWaalsContact O-N 3.15Å; T144-L147 HydrophobicContact CG2-CD2 4.34Å; T144-L147 WeakPolarHBondContact O-CB 3.49Å; T144-L147 PolarHBondContact O-N 3.13Å
145	A	76	Confident	73	Confident	3 Å²	3	39.2 Å²	39.2	3%	0.025	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-12	-167.4	0	0	0	0	0	115.5	C143 M172 F225 A227	C143-A145 VanDerWaalsContact C-N 3.31Å; C143-A145 PolarHBondContact O-N 2.68Å; A145-M172 HydrophobicContact CB-CE 3.64Å; A145-F225 HydrophobicContact CB-CD1 4.09Å; A145-F225 HydrophobicContact CB-CE1 4.36Å; A145-A227 VanDerWaalsContact O-CB 3.25Å; A145-A227 WeakPolarHBondContact O-CB 3.27Å; A145-A227 PolarHBondContact O-N 2.94Å
146	M	80.8	Confident	74.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	18.6	168.1	-65.8	-167.2	173.5	0	0	113	T144 L149 L151 V169 M172 G174 W212 I213 A216 A227	T144-M146 VanDerWaalsContact C-N 3.27Å; T144-M146 PolarHBondContact O-N 2.9Å; T144-M146 VanDerWaalsContact O-N 3.15Å; M146-L149 HydrophobicContact CB-CD1 4.09Å; M146-L149 HydrophobicContact CG-CD1 4.21Å; M146-L149 VanDerWaalsContact O-CB 3.31Å; M146-L149 WeakPolarHBondContact O-CB 3.48Å; M146-L149 WeakPolarHBondContact O-CG 3.46Å; M146-L149 PolarHBondContact O-N 3.18Å; M146-L149 VanDerWaalsContact O-N 3.08Å; M146-L151 HydrophobicContact SD-CD2 4.44Å; M146-V169 HydrophobicContact SD-CB 4.48Å; M146-V169 HydrophobicContact SD-CG1 4.36Å; M146-V169 HydrophobicContact SD-CG2 4.05Å; M146-M172 CarbonylContact C-O 3.6Å; M146-M172 VanDerWaalsContact CA-O 3.3Å; M146-M172 WeakPolarHBondContact CA-O 3.49Å; M146-M172 HydrophobicContact CB-CB 3.77Å; M146-M172 WeakPolarHBondContact CB-O 3.4Å; M146-M172 HydrophobicContact CE-CE 4.48Å; M146-M172 HydrophobicContact CE-SD 4.05Å; M146-M172 HydrophobicContact CG-CB 3.78Å; M146-M172 HydrophobicContact CG-CE 4.18Å; M146-M172 HydrophobicContact CG-SD 4.23Å; M146-M172 PolarHBondContact N-O 3.28Å; M146-M172 HydrophobicContact SD-CB 4.25Å; M146-M172 HydrophobicContact SD-SD 4.18Å; M146-G174 VanDerWaalsContact O-CA 3.29Å; M146-G174 WeakPolarHBondContact O-CA 3.46Å; M146-G174 PolarHBondContact O-N 2.64Å; M146-W212 HydrophobicContact CE-CD2 4.28Å; M146-W212 HydrophobicContact CE-CE3 4.19Å; M146-W212 HydrophobicContact CE-CH2 3.9Å; M146-W212 HydrophobicContact CE-CZ2 3.98Å; M146-W212 HydrophobicContact CE-CZ3 4.02Å; M146-W212 HydrophobicContact SD-CH2 4.4Å; M146-I213 HydrophobicContact CE-CG1 4.24Å; M146-A216 HydrophobicContact CE-CB 3.81Å; M146-A227 HydrophobicContact CE-CB 3.92Å; M146-A227 HydrophobicContact CG-CB 3.77Å
147	L	77.9	Confident	75.5	Confident	33 Å²	33	41.1 Å²	41.1	17%	0.173	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	141.3	-179.5	-168.9	67.2	0	0	0	111.1	T144 L149 M172	T144-L147 HydrophobicContact CG2-CD2 4.34Å; T144-L147 WeakPolarHBondContact O-CB 3.49Å; T144-L147 PolarHBondContact O-N 3.13Å; L147-L149 PolarHBondContact O-N 2.95Å; L147-L149 VanDerWaalsContact O-N 3.07Å; L147-M172 PolarHBondContact N-O 3.11Å
148	N	80	Confident	76.9	Confident	146 Å²	146	44 Å²	44	78%	0.781	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	0.3	-174.2	-57.5	-55.1	0	0	0	116.3
149	L	84.9	Confident	78.5	Confident	11 Å²	11	45.5 Å²	45.5	6%	0.058	22%	0.217	C	C	.	.			trans	-78.5	141	173.3	-55.7	-173.6	0	0	0	111.2	M146 L147 L151 T175 W212 A227 N228	M146-L149 HydrophobicContact CB-CD1 4.09Å; M146-L149 HydrophobicContact CG-CD1 4.21Å; M146-L149 VanDerWaalsContact O-CB 3.31Å; M146-L149 WeakPolarHBondContact O-CB 3.48Å; M146-L149 WeakPolarHBondContact O-CG 3.46Å; M146-L149 PolarHBondContact O-N 3.18Å; M146-L149 VanDerWaalsContact O-N 3.08Å; L147-L149 PolarHBondContact O-N 2.95Å; L147-L149 VanDerWaalsContact O-N 3.07Å; L149-L151 HydrophobicContact CB-CD1 3.7Å; L149-T175 PolarHBondContact O-N 3.37Å; L149-T175 PolarHBondContact O-OG1 3.21Å; L149-W212 HydrophobicContact CD1-CH2 4.22Å; L149-W212 HydrophobicContact CD1-CZ2 4.34Å; L149-A227 HydrophobicContact CD1-CB 4.38Å; L149-N228 HydrophobicContact CD2-CB 4.2Å
150	S	86.4	Confident	79.6	Confident	8 Å²	8	48.2 Å²	48.2	6%	0.056	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	115.6	170.1	-161.8	0	0	0	0	109	T175 R177 K183 V184 T185 H186	S150-T175 CarbonylContact C-O 3.47Å; S150-T175 WeakPolarHBondContact CA-O 3.44Å; S150-T175 WeakPolarHBondContact CA-OG1 3.39Å; S150-T175 WeakPolarHBondContact CB-OG1 3.5Å; S150-T175 PolarHBondContact OG-OG1 2.94Å; S150-R177 WeakPolarHBondContact OG-CD 3.42Å; S150-R177 PolarHBondContact OG-NE 3.5Å; S150-K183 WeakPolarHBondContact CB-O 3.3Å; S150-V184 CarbonylContact O-C 3.6Å; S150-T185 PolarHBondContact N-OG1 3.34Å; S150-T185 PolarHBondContact O-N 3.36Å; S150-T185 PolarHBondContact O-OG1 2.87Å; S150-H186 PolarHBondContact O-N 3.41Å
151	L	89.6	Confident	80.6	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	152.4	-175.8	-77.3	64.4	0	0	0	110.4	M146 L149 V169 T175 I176 R177 H186 V188 W212 I213	M146-L151 HydrophobicContact SD-CD2 4.44Å; L149-L151 HydrophobicContact CB-CD1 3.7Å; L151-V169 HydrophobicContact CD1-CG1 4.47Å; L151-V169 HydrophobicContact CD2-CB 4.46Å; L151-V169 HydrophobicContact CD2-CG1 3.9Å; L151-V169 HydrophobicContact CD2-CG2 3.64Å; L151-T175 PolarHBondContact N-O 3Å; L151-I176 WeakPolarHBondContact O-CA 3.49Å; L151-R177 PolarHBondContact O-N 3.19Å; L151-H186 WeakPolarHBondContact CA-O 3.44Å; L151-H186 HydrophobicContact CG-CB 4.35Å; L151-V188 HydrophobicContact CD2-CG2 4.13Å; L151-W212 HydrophobicContact CD1-CH2 4.43Å; L151-W212 HydrophobicContact CD2-CH2 4.25Å; L151-W212 HydrophobicContact CD2-CZ3 3.67Å; L151-W212 HydrophobicContact CG-CH2 4.44Å; L151-W212 HydrophobicContact CG-CZ3 4.14Å; L151-I213 HydrophobicContact CD2-CD1 4.47Å
152	C	89.5	Confident	81.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.6	162.5	-168.8	0	0	0	0	108.9	R177 F180 V184 H186 L187 V188	C152-R177 PolarHBondContact SG-O 3.38Å; C152-R177 VanDerWaalsContact SG-O 3.38Å; C152-F180 HydrophobicContact CB-CD2 4.17Å; C152-V184 HydrophobicContact CB-CG1 3.83Å; C152-V184 HydrophobicContact CB-CG2 4.13Å; C152-H186 PolarHBondContact N-O 3.32Å; C152-L187 HydrophobicContact CB-CD1 3.96Å; C152-V188 PolarHBondContact O-N 2.99Å
153	L	88.1	Confident	82.2	Confident	19 Å²	19	58.3 Å²	58.3	10%	0.099	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.3	-173.2	-51.8	-179	0	0	0	110.1	F156 M162 V166 I176 V188	L153-F156 HydrophobicContact CB-CD2 4.41Å; L153-F156 HydrophobicContact CB-CE2 4.07Å; L153-M162 HydrophobicContact CB-CE 3.82Å; L153-M162 HydrophobicContact CB-SD 4.05Å; L153-M162 HydrophobicContact CD1-CE 4.27Å; L153-M162 HydrophobicContact CD1-SD 3.43Å; L153-M162 WeakPolarHBondContact CD1-SD 3.47Å; L153-M162 HydrophobicContact CG-SD 4.38Å; L153-V166 HydrophobicContact CD1-CG2 3.68Å; L153-I176 HydrophobicContact CD1-CD1 4.28Å; L153-I176 HydrophobicContact CD1-CG2 4.23Å; L153-I176 HydrophobicContact CG-CG2 4.2Å; L153-V188 WeakPolarHBondContact CA-O 3.38Å; L153-V188 HydrophobicContact CD2-CB 3.65Å; L153-V188 HydrophobicContact CD2-CG1 4.45Å; L153-V188 HydrophobicContact CD2-CG2 3.91Å
154	T	86.8	Confident	83	Confident	19 Å²	19	61.5 Å²	61.5	12%	0.117	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153.3	-177.3	-167.6	0	0	0	0	114.3	F156 L187 V188 A189 Y190	T154-F156 VanDerWaalsContact C-N 3.34Å; T154-F156 VanDerWaalsContact O-CD2 3.26Å; T154-F156 WeakPolarHBondContact O-CD2 3.4Å; T154-F156 WeakPolarHBondContact O-CE2 3.36Å; T154-F156 PolarHBondContact O-N 3.24Å; T154-L187 HydrophobicContact CG2-CD1 3.92Å; T154-L187 HydrophobicContact CG2-CD2 3.95Å; T154-L187 HydrophobicContact CG2-CG 4.07Å; T154-V188 PolarHBondContact N-O 3.1Å; T154-A189 HydrophobicContact CG2-CB 3.62Å; T154-Y190 PolarHBondContact O-N 3.31Å
155	G	80.1	Confident	83.6	Confident	30 Å²	30	61.2 Å²	61.2	31%	0.309	30%	0.299	S	S	.	.	S	Bend	trans	83	-6.9	172.7	0	0	0	0	0	116.8
156	F	82	Confident	84.1	Confident	31 Å²	31	62.7 Å²	62.7	14%	0.136	31%	0.308	C	S	.	.			trans	-72.2	130.9	-178.9	-61.5	-95	0	0	0	112.3	L153 T154 M162 L165 V188 Y190 P210	L153-F156 HydrophobicContact CB-CD2 4.41Å; L153-F156 HydrophobicContact CB-CE2 4.07Å; T154-F156 VanDerWaalsContact C-N 3.34Å; T154-F156 VanDerWaalsContact O-CD2 3.26Å; T154-F156 WeakPolarHBondContact O-CD2 3.4Å; T154-F156 WeakPolarHBondContact O-CE2 3.36Å; T154-F156 PolarHBondContact O-N 3.24Å; F156-M162 HydrophobicContact CB-CE 3.67Å; F156-M162 HydrophobicContact CD2-CE 3.37Å; F156-M162 HydrophobicContact CE2-CE 4.15Å; F156-M162 HydrophobicContact CG-CE 3.64Å; F156-L165 HydrophobicContact CD1-CD1 4.4Å; F156-L165 HydrophobicContact CE1-CD1 3.49Å; F156-L165 VanDerWaalsContact CE1-CD1 3.49Å; F156-L165 HydrophobicContact CZ-CD1 3.88Å; F156-V188 HydrophobicContact CZ-CG1 4.2Å; F156-Y190 HydrophobicContact CD1-CD2 4.02Å; F156-Y190 HydrophobicContact CD1-CG 4.28Å; F156-Y190 HydrophobicContact CE1-CD2 4.05Å; F156-Y190 HydrophobicContact CE1-CG 4.49Å; F156-P210 HydrophobicContact CE1-CB 3.92Å; F156-P210 HydrophobicContact CE1-CG 4.28Å; F156-P210 HydrophobicContact CZ-CB 3.98Å; F156-P210 HydrophobicContact CZ-CG 4.47Å
157	R	78.3	Confident	84.2	Confident	233 Å²	233	66.4 Å²	66.4	88%	0.879	33%	0.328	S	S	*	.			trans	-93.7	-32.1	171.5	-62.1	-177.9	-179.1	-176.3	0.5	112.4	K159	R157-K159 PolarHBondContact O-N 2.73Å
158	N	85	Confident	84.5	Confident	89 Å²	89	66.3 Å²	66.3	48%	0.476	33%	0.327	S	S	.	.			trans	-82.3	113.1	-177.2	-60.5	-23	0	0	0	110.8	E160 E161 M162	N158-E160 VanDerWaalsContact C-N 3.31Å; N158-E160 PolarHBondContact O-N 2.83Å; N158-E161 HydrophobicContact CB-CB 3.78Å; N158-E161 WeakPolarHBondContact CB-OE2 3.41Å; N158-E161 PolarHBondContact ND2-OE2 2.86Å; N158-M162 WeakPolarHBondContact O-CB 3.41Å; N158-M162 PolarHBondContact O-N 2.89Å
159	K	83	Confident	84.7	Confident	175 Å²	175	59.3 Å²	59.3	76%	0.761	29%	0.29	S	S	*	.	H	α-helix	trans	-71.6	-23.4	-179.2	-68.1	-178.6	-179.4	175.5	0	113.6	R157 K163	R157-K159 PolarHBondContact O-N 2.73Å; K159-K163 WeakPolarHBondContact O-CG 3.08Å; K159-K163 PolarHBondContact O-N 3.28Å
160	E	84.6	Confident	84.6	Confident	165 Å²	165	60.8 Å²	60.8	77%	0.771	30%	0.296	S	S	*	.	H	α-helix	trans	-82.1	-46.1	-178.8	-70.3	163.1	-168.2	0	0	111.7	N158 M162 K163 S164	N158-E160 VanDerWaalsContact C-N 3.31Å; N158-E160 PolarHBondContact O-N 2.83Å; E160-M162 VanDerWaalsContact C-N 3.3Å; E160-M162 PolarHBondContact O-N 2.85Å; E160-K163 WeakPolarHBondContact O-CB 3.44Å; E160-K163 PolarHBondContact O-N 3.13Å; E160-K163 VanDerWaalsContact O-N 3.08Å; E160-S164 PolarHBondContact O-N 3.47Å
161	E	83.4	Confident	84.2	Confident	57 Å²	57	61.3 Å²	61.3	27%	0.266	30%	0.298	S	S	.	.	H	α-helix	trans	-54.6	-46.1	170.1	-172.7	-175.6	168.1	0	0	111.3	N158 K163 S164 L165	N158-E161 HydrophobicContact CB-CB 3.78Å; N158-E161 WeakPolarHBondContact CB-OE2 3.41Å; N158-E161 PolarHBondContact ND2-OE2 2.86Å; E161-K163 PolarHBondContact O-N 3.4Å; E161-S164 PolarHBondContact O-N 2.67Å; E161-L165 HydrophobicContact CG-CD1 4.41Å; E161-L165 WeakPolarHBondContact O-CG 3.42Å; E161-L165 PolarHBondContact O-N 2.87Å
162	M	83.8	Confident	83.7	Confident	52 Å²	52	61.3 Å²	61.3	26%	0.256	30%	0.298	S	S	.	.	H	α-helix	trans	-53.9	-49.8	171.3	169.2	65.1	65.2	0	0	112.3	L153 F156 N158 E160 S164 L165 V166	L153-M162 HydrophobicContact CB-CE 3.82Å; L153-M162 HydrophobicContact CB-SD 4.05Å; L153-M162 HydrophobicContact CD1-CE 4.27Å; L153-M162 HydrophobicContact CD1-SD 3.43Å; L153-M162 WeakPolarHBondContact CD1-SD 3.47Å; L153-M162 HydrophobicContact CG-SD 4.38Å; F156-M162 HydrophobicContact CB-CE 3.67Å; F156-M162 HydrophobicContact CD2-CE 3.37Å; F156-M162 HydrophobicContact CE2-CE 4.15Å; F156-M162 HydrophobicContact CG-CE 3.64Å; N158-M162 WeakPolarHBondContact O-CB 3.41Å; N158-M162 PolarHBondContact O-N 2.89Å; E160-M162 VanDerWaalsContact C-N 3.3Å; E160-M162 PolarHBondContact O-N 2.85Å; M162-S164 PolarHBondContact O-N 3.01Å; M162-L165 PolarHBondContact O-N 3.25Å; M162-V166 WeakPolarHBondContact O-CB 3.36Å; M162-V166 WeakPolarHBondContact O-CG2 3.46Å; M162-V166 PolarHBondContact O-N 3.49Å; M162-V166 HydrophobicContact SD-CG2 4.07Å
163	K	84.7	Confident	83	Confident	142 Å²	142	62 Å²	62	62%	0.617	31%	0.305	S	S	*	.	H	α-helix	trans	-62	-41	177.5	-76.7	172.9	177	-174.5	0	112.4	K159 E160 E161 V166 N167	K159-K163 WeakPolarHBondContact O-CG 3.08Å; K159-K163 PolarHBondContact O-N 3.28Å; E160-K163 WeakPolarHBondContact O-CB 3.44Å; E160-K163 PolarHBondContact O-N 3.13Å; E160-K163 VanDerWaalsContact O-N 3.08Å; E161-K163 PolarHBondContact O-N 3.4Å; K163-V166 WeakPolarHBondContact O-CB 3.49Å; K163-V166 PolarHBondContact O-N 3.01Å; K163-N167 VanDerWaalsContact O-CG 3.32Å; K163-N167 PolarHBondContact O-N 2.89Å; K163-N167 PolarHBondContact O-OD1 3.37Å
164	S	85.7	Confident	82.8	Confident	70 Å²	70	61.3 Å²	61.3	49%	0.49	30%	0.302	S	S	.	.	H	α-helix	trans	-61.9	-50.1	178.3	-173.3	0	0	0	0	111.3	E160 E161 M162 V166 N167 L168	E160-S164 PolarHBondContact O-N 3.47Å; E161-S164 PolarHBondContact O-N 2.67Å; M162-S164 PolarHBondContact O-N 3.01Å; S164-V166 VanDerWaalsContact C-N 3.32Å; S164-V166 PolarHBondContact O-N 3.06Å; S164-N167 PolarHBondContact O-N 3.15Å; S164-L168 WeakPolarHBondContact O-CG 3.44Å; S164-L168 PolarHBondContact O-N 3.42Å
165	L	85.1	Confident	82.7	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.016	32%	0.317	C	S	.	.	H	α-helix	trans	-61.5	-38	175.9	-66.6	171.2	0	0	0	112.5	F156 E161 M162 L168 V169 P210 I213 Q214	F156-L165 HydrophobicContact CD1-CD1 4.4Å; F156-L165 HydrophobicContact CE1-CD1 3.49Å; F156-L165 VanDerWaalsContact CE1-CD1 3.49Å; F156-L165 HydrophobicContact CZ-CD1 3.88Å; E161-L165 HydrophobicContact CG-CD1 4.41Å; E161-L165 WeakPolarHBondContact O-CG 3.42Å; E161-L165 PolarHBondContact O-N 2.87Å; M162-L165 PolarHBondContact O-N 3.25Å; L165-L168 PolarHBondContact O-N 2.72Å; L165-V169 WeakPolarHBondContact O-CG2 3.19Å; L165-V169 PolarHBondContact O-N 2.86Å; L165-V169 VanDerWaalsContact O-N 3.1Å; L165-P210 HydrophobicContact CD1-CB 3.8Å; L165-I213 HydrophobicContact CB-CD1 4.2Å; L165-I213 HydrophobicContact CD2-CB 4.06Å; L165-I213 HydrophobicContact CD2-CD1 4.13Å; L165-I213 HydrophobicContact CD2-CG2 4.11Å; L165-Q214 HydrophobicContact CD2-CG 4.14Å
166	V	85.7	Confident	83	Confident	34 Å²	34	64.6 Å²	64.6	21%	0.206	31%	0.314	C	S	.	.	H	α-helix	trans	-60	-45.5	174.2	160.7	0	0	0	0	111.7	L153 M162 K163 S164 H170 I176	L153-V166 HydrophobicContact CD1-CG2 3.68Å; M162-V166 WeakPolarHBondContact O-CB 3.36Å; M162-V166 WeakPolarHBondContact O-CG2 3.46Å; M162-V166 PolarHBondContact O-N 3.49Å; M162-V166 HydrophobicContact SD-CG2 4.07Å; K163-V166 WeakPolarHBondContact O-CB 3.49Å; K163-V166 PolarHBondContact O-N 3.01Å; S164-V166 VanDerWaalsContact C-N 3.32Å; S164-V166 PolarHBondContact O-N 3.06Å; V166-H170 PolarHBondContact O-N 3.46Å; V166-H170 PolarHBondContact O-ND1 3.42Å; V166-I176 HydrophobicContact CB-CD1 3.94Å; V166-I176 HydrophobicContact CG1-CD1 4.03Å; V166-I176 HydrophobicContact CG2-CD1 3.7Å
167	N	83.4	Confident	83.2	Confident	78 Å²	78	67.9 Å²	67.9	42%	0.417	33%	0.325	S	S	.	.	H	α-helix	trans	-65.8	-47.1	179	-70.1	-0.7	0	0	0	111.3	K163 S164 V169 H170 H171	K163-N167 VanDerWaalsContact O-CG 3.32Å; K163-N167 PolarHBondContact O-N 2.89Å; K163-N167 PolarHBondContact O-OD1 3.37Å; S164-N167 PolarHBondContact O-N 3.15Å; N167-V169 PolarHBondContact O-N 2.68Å; N167-H170 PolarHBondContact O-N 2.73Å; N167-H170 VanDerWaalsContact O-N 3.13Å; N167-H171 PolarHBondContact O-CD2 3.36Å; N167-H171 VanDerWaalsContact O-CG 3.26Å; N167-H171 PolarHBondContact O-N 3.3Å
168	L	84.3	Confident	83.5	Confident	30 Å²	30	64.9 Å²	64.9	16%	0.157	32%	0.319	C	S	.	.	H	α-helix	trans	-54.9	-48.5	177.4	-67.8	175.7	0	0	0	111.9	S164 L165 H170 H171 M172 I213 W217	S164-L168 WeakPolarHBondContact O-CG 3.44Å; S164-L168 PolarHBondContact O-N 3.42Å; L165-L168 PolarHBondContact O-N 2.72Å; L168-H170 VanDerWaalsContact C-N 3.33Å; L168-H170 PolarHBondContact O-N 2.93Å; L168-H171 PolarHBondContact O-N 2.85Å; L168-H171 VanDerWaalsContact O-N 3.14Å; L168-M172 VanDerWaalsContact O-CG 3.31Å; L168-M172 WeakPolarHBondContact O-CG 3.36Å; L168-M172 PolarHBondContact O-N 3.34Å; L168-I213 HydrophobicContact CB-CG2 3.86Å; L168-I213 HydrophobicContact CD1-CG2 4.29Å; L168-W217 HydrophobicContact CD2-CD2 3.68Å; L168-W217 HydrophobicContact CD2-CE3 4.2Å; L168-W217 HydrophobicContact CD2-CG 3.8Å; L168-W217 HydrophobicContact CD2-CZ2 4.35Å
169	V	84.4	Confident	83.4	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.7	-41.7	177.8	168	0	0	0	0	112	M146 L151 L165 N167 M172 G173 G174 I176 I213	M146-V169 HydrophobicContact SD-CB 4.48Å; M146-V169 HydrophobicContact SD-CG1 4.36Å; M146-V169 HydrophobicContact SD-CG2 4.05Å; L151-V169 HydrophobicContact CD1-CG1 4.47Å; L151-V169 HydrophobicContact CD2-CB 4.46Å; L151-V169 HydrophobicContact CD2-CG1 3.9Å; L151-V169 HydrophobicContact CD2-CG2 3.64Å; L165-V169 WeakPolarHBondContact O-CG2 3.19Å; L165-V169 PolarHBondContact O-N 2.86Å; L165-V169 VanDerWaalsContact O-N 3.1Å; N167-V169 PolarHBondContact O-N 2.68Å; V169-M172 PolarHBondContact O-N 3.45Å; V169-M172 VanDerWaalsContact O-N 3.17Å; V169-G173 PolarHBondContact O-N 2.95Å; V169-G174 PolarHBondContact O-N 2.91Å; V169-I176 HydrophobicContact CB-CD1 3.97Å; V169-I176 HydrophobicContact CB-CG1 4.38Å; V169-I176 HydrophobicContact CG1-CD1 3.9Å; V169-I176 HydrophobicContact CG1-CG1 3.74Å; V169-I213 HydrophobicContact CG2-CD1 3.68Å; V169-I213 HydrophobicContact CG2-CG1 3.94Å; V169-I213 HydrophobicContact CG2-CG2 3.86Å
170	H	82.4	Confident	83.5	Confident	41 Å²	41	58 Å²	58	19%	0.19	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-40.4	175.5	-67.4	148.5	0	0	0	112	R139 V166 N167 L168 M172 G173 G174	R139-H170 PolarHBondContact NH1-CD2 2.77Å; R139-H170 PolarHBondContact NH1-NE2 2.98Å; V166-H170 PolarHBondContact O-N 3.46Å; V166-H170 PolarHBondContact O-ND1 3.42Å; N167-H170 PolarHBondContact O-N 2.73Å; N167-H170 VanDerWaalsContact O-N 3.13Å; L168-H170 VanDerWaalsContact C-N 3.33Å; L168-H170 PolarHBondContact O-N 2.93Å; H170-M172 PolarHBondContact O-N 3.29Å; H170-G173 PolarHBondContact O-N 3.05Å; H170-G174 PolarHBondContact CD2-O 3.28Å
171	H	79.3	Confident	83.4	Confident	20 Å²	20	52.1 Å²	52.1	9%	0.093	27%	0.266	C	S	.	.	H	α-helix	trans	-66.6	-18.7	174.8	-57.7	-36.6	0	0	0	113.4	F103 Y108 P140 L141 Y142 C143 N167 L168 W217	F103-H171 HydrophobicContact CD2-CB 4.48Å; F103-H171 AromaticContact CD2-ND1 3.97Å; Y108-H171 PolarHBondContact OH-CE1 3Å; P140-H171 PolarHBondContact O-ND1 3.05Å; L141-H171 CarbonylContact C-O 3.48Å; Y142-H171 PolarHBondContact N-O 2.97Å; C143-H171 PolarHBondContact N-O 2.93Å; N167-H171 PolarHBondContact O-CD2 3.36Å; N167-H171 VanDerWaalsContact O-CG 3.26Å; N167-H171 PolarHBondContact O-N 3.3Å; L168-H171 PolarHBondContact O-N 2.85Å; L168-H171 VanDerWaalsContact O-N 3.14Å; H171-W217 HydrophobicContact CB-CH2 3.81Å; H171-W217 HydrophobicContact CB-CZ3 3.59Å
172	M	78.3	Confident	83.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	7.2	173.2	-61.1	-173.6	77.1	0	0	113.5	C143 A145 M146 L147 L168 V169 H170 G174 A216 W217	C143-M172 CarbonylContact O-C 3.54Å; C143-M172 VanDerWaalsContact O-CA 3.27Å; C143-M172 WeakPolarHBondContact O-CA 3.45Å; C143-M172 VanDerWaalsContact O-O 3.09Å; A145-M172 HydrophobicContact CB-CE 3.64Å; M146-M172 CarbonylContact C-O 3.6Å; M146-M172 VanDerWaalsContact CA-O 3.3Å; M146-M172 WeakPolarHBondContact CA-O 3.49Å; M146-M172 HydrophobicContact CB-CB 3.77Å; M146-M172 WeakPolarHBondContact CB-O 3.4Å; M146-M172 HydrophobicContact CE-CE 4.48Å; M146-M172 HydrophobicContact CE-SD 4.05Å; M146-M172 HydrophobicContact CG-CB 3.78Å; M146-M172 HydrophobicContact CG-CE 4.18Å; M146-M172 HydrophobicContact CG-SD 4.23Å; M146-M172 PolarHBondContact N-O 3.28Å; M146-M172 HydrophobicContact SD-CB 4.25Å; M146-M172 HydrophobicContact SD-SD 4.18Å; L147-M172 PolarHBondContact N-O 3.11Å; L168-M172 VanDerWaalsContact O-CG 3.31Å; L168-M172 WeakPolarHBondContact O-CG 3.36Å; L168-M172 PolarHBondContact O-N 3.34Å; V169-M172 PolarHBondContact O-N 3.45Å; V169-M172 VanDerWaalsContact O-N 3.17Å; H170-M172 PolarHBondContact O-N 3.29Å; M172-G174 VanDerWaalsContact C-N 3.3Å; M172-G174 PolarHBondContact O-N 2.91Å; M172-A216 VanDerWaalsContact CE-C 3.5Å; M172-A216 HydrophobicContact CE-CB 3.64Å; M172-A216 WeakPolarHBondContact CE-O 3.38Å; M172-A216 HydrophobicContact SD-CB 4.13Å; M172-W217 HydrophobicContact CG-CE3 3.67Å; M172-W217 HydrophobicContact CG-CZ3 4.02Å; M172-W217 HydrophobicContact SD-CB 4.28Å; M172-W217 HydrophobicContact SD-CE3 4.06Å
173	G	74.5	Confident	83.2	Confident	14 Å²	14	57.7 Å²	57.7	14%	0.144	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	8.4	-179	0	0	0	0	0	115	V169 H170	V169-G173 PolarHBondContact O-N 2.95Å; H170-G173 PolarHBondContact O-N 3.05Å
174	G	83.9	Confident	83.3	Confident	4 Å²	4	51.4 Å²	51.4	4%	0.041	28%	0.277	C	S	.	.			trans	-81.5	155.5	176.7	0	0	0	0	0	113.1	M146 V169 H170 M172	M146-G174 VanDerWaalsContact O-CA 3.29Å; M146-G174 WeakPolarHBondContact O-CA 3.46Å; M146-G174 PolarHBondContact O-N 2.64Å; V169-G174 PolarHBondContact O-N 2.91Å; H170-G174 PolarHBondContact CD2-O 3.28Å; M172-G174 VanDerWaalsContact C-N 3.3Å; M172-G174 PolarHBondContact O-N 2.91Å
175	T	85.1	Confident	83.3	Confident	72 Å²	72	50.5 Å²	50.5	44%	0.442	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	150.5	175.1	63.2	0	0	0	0	111.1	L149 S150 L151	L149-T175 PolarHBondContact O-N 3.37Å; L149-T175 PolarHBondContact O-OG1 3.21Å; S150-T175 CarbonylContact C-O 3.47Å; S150-T175 WeakPolarHBondContact CA-O 3.44Å; S150-T175 WeakPolarHBondContact CA-OG1 3.39Å; S150-T175 WeakPolarHBondContact CB-OG1 3.5Å; S150-T175 PolarHBondContact OG-OG1 2.94Å; L151-T175 PolarHBondContact N-O 3Å
176	I	87.2	Confident	83.4	Confident	46 Å²	46	50.5 Å²	50.5	24%	0.236	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.7	-179.2	-55.4	177.4	0	0	0	110.4	L151 L153 V166 V169	L151-I176 WeakPolarHBondContact O-CA 3.49Å; L153-I176 HydrophobicContact CD1-CD1 4.28Å; L153-I176 HydrophobicContact CD1-CG2 4.23Å; L153-I176 HydrophobicContact CG-CG2 4.2Å; V166-I176 HydrophobicContact CB-CD1 3.94Å; V166-I176 HydrophobicContact CG1-CD1 4.03Å; V166-I176 HydrophobicContact CG2-CD1 3.7Å; V169-I176 HydrophobicContact CB-CD1 3.97Å; V169-I176 HydrophobicContact CB-CG1 4.38Å; V169-I176 HydrophobicContact CG1-CD1 3.9Å; V169-I176 HydrophobicContact CG1-CG1 3.74Å
177	R	85.5	Confident	83.6	Confident	100 Å²	100	48.9 Å²	48.9	38%	0.377	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.8	173.8	-67.5	179.9	178.5	-84.8	-15.9	109.9	S150 L151 C152 D179 V184	S150-R177 WeakPolarHBondContact OG-CD 3.42Å; S150-R177 PolarHBondContact OG-NE 3.5Å; L151-R177 PolarHBondContact O-N 3.19Å; C152-R177 PolarHBondContact SG-O 3.38Å; C152-R177 VanDerWaalsContact SG-O 3.38Å; R177-D179 VanDerWaalsContact C-N 3.29Å; R177-D179 PolarHBondContact O-N 3.37Å; R177-V184 HydrophobicContact CB-CG2 4.26Å
178	K	83.8	Confident	83.9	Confident	171 Å²	171	45.1 Å²	45.1	74%	0.743	24%	0.239	S	C	*	.	S	Bend	trans	-57.7	-45	172.1	-177.9	-170.6	169.2	-163.9	0	110.8	K196	K178-K196 PolarHBondContact O-NZ 2.78Å
179	D	83.5	Confident	84	Confident	88 Å²	88	43.9 Å²	43.9	47%	0.471	23%	0.233	S	C	.	.	S	Bend	trans	-117.4	145.4	-171.5	-60.9	-50.3	0	0	0	112.2	R177 K196	R177-D179 VanDerWaalsContact C-N 3.29Å; R177-D179 PolarHBondContact O-N 3.37Å; D179-K196 IonicContact OD1-NZ 2.71Å; D179-K196 PolarHBondContact OD1-NZ 3.37Å
180	F	84.7	Confident	83.9	Confident	30 Å²	30	49.4 Å²	49.4	13%	0.132	26%	0.255	C	S	.	.			trans	-78.1	135.6	-170.9	-170.3	-98.3	0	0	0	110.5	C152 V184 L187 K196 L199 A200 M203 T205	C152-F180 HydrophobicContact CB-CD2 4.17Å; F180-V184 HydrophobicContact CD2-CB 4.26Å; F180-V184 HydrophobicContact CD2-CG1 4.12Å; F180-V184 HydrophobicContact CD2-CG2 4.31Å; F180-V184 HydrophobicContact CE2-CB 4.03Å; F180-V184 HydrophobicContact CE2-CG1 3.83Å; F180-L187 HydrophobicContact CD2-CD1 4.3Å; F180-K196 HydrophobicContact CB-CB 4.39Å; F180-K196 HydrophobicContact CB-CG 4.15Å; F180-L199 HydrophobicContact CD1-CB 3.6Å; F180-L199 HydrophobicContact CD1-CD1 4.28Å; F180-L199 HydrophobicContact CE1-CB 3.77Å; F180-A200 HydrophobicContact CE2-CB 3.89Å; F180-A200 HydrophobicContact CZ-CB 3.76Å; F180-M203 HydrophobicContact CE1-CG 4.41Å; F180-M203 HydrophobicContact CE1-SD 3.76Å; F180-M203 HydrophobicContact CZ-SD 4.44Å; F180-T205 HydrophobicContact CE2-CG2 4.3Å; F180-T205 HydrophobicContact CZ-CG2 4.33Å
181	S	83.4	Confident	83.6	Confident	42 Å²	42	49 Å²	49	29%	0.294	26%	0.256	S	S	.	.			trans	-160.6	163.4	-174.5	55.4	0	0	0	0	110.7	K183 V184	S181-K183 PolarHBondContact O-N 3.05Å; S181-V184 VanDerWaalsContact O-CB 3.3Å; S181-V184 WeakPolarHBondContact O-CB 3.24Å; S181-V184 WeakPolarHBondContact O-CG2 3.42Å; S181-V184 PolarHBondContact O-N 3.21Å
182	A	80.8	Confident	83.4	Confident	84 Å²	84	48.4 Å²	48.4	69%	0.694	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-11.1	179	0	0	0	0	0	115.3	V184 M203	A182-V184 VanDerWaalsContact C-N 3.34Å; A182-M203 HydrophobicContact CB-CE 3.8Å
183	K	81.8	Confident	83	Confident	142 Å²	142	52.9 Å²	52.9	62%	0.617	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-3.9	173.1	-66.1	177	179.7	174.5	0	112.9	S150 S181	S150-K183 WeakPolarHBondContact CB-O 3.3Å; S181-K183 PolarHBondContact O-N 3.05Å
184	V	86.9	Confident	83.2	Confident	10 Å²	10	54 Å²	54	6%	0.061	29%	0.287	C	S	.	.			trans	-85.5	121.6	177.2	177.1	0	0	0	0	109.7	S150 C152 R177 F180 S181 A182 H186	S150-V184 CarbonylContact O-C 3.6Å; C152-V184 HydrophobicContact CB-CG1 3.83Å; C152-V184 HydrophobicContact CB-CG2 4.13Å; R177-V184 HydrophobicContact CB-CG2 4.26Å; F180-V184 HydrophobicContact CD2-CB 4.26Å; F180-V184 HydrophobicContact CD2-CG1 4.12Å; F180-V184 HydrophobicContact CD2-CG2 4.31Å; F180-V184 HydrophobicContact CE2-CB 4.03Å; F180-V184 HydrophobicContact CE2-CG1 3.83Å; S181-V184 VanDerWaalsContact O-CB 3.3Å; S181-V184 WeakPolarHBondContact O-CB 3.24Å; S181-V184 WeakPolarHBondContact O-CG2 3.42Å; S181-V184 PolarHBondContact O-N 3.21Å; A182-V184 VanDerWaalsContact C-N 3.34Å; V184-H186 WeakPolarHBondContact CG1-O 3.47Å
185	T	85.4	Confident	83	Confident	52 Å²	52	60.7 Å²	60.7	32%	0.319	32%	0.317	S	S	.	.			trans	-82.7	-31.6	177.8	61.9	0	0	0	0	113.2	S150	S150-T185 PolarHBondContact N-OG1 3.34Å; S150-T185 PolarHBondContact O-N 3.36Å; S150-T185 PolarHBondContact O-OG1 2.87Å
186	H	88.3	Confident	83	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.009	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	137.7	-171.8	-69.8	88.3	0	0	0	110.7	S150 L151 C152 V184 W212 N228 R233	S150-H186 PolarHBondContact O-N 3.41Å; L151-H186 WeakPolarHBondContact CA-O 3.44Å; L151-H186 HydrophobicContact CG-CB 4.35Å; C152-H186 PolarHBondContact N-O 3.32Å; V184-H186 WeakPolarHBondContact CG1-O 3.47Å; H186-W212 HydrophobicContact CB-CH2 4.33Å; H186-N228 PolarHBondContact CE1-OD1 3.05Å; H186-N228 PolarHBondContact NE2-OD1 3.27Å; H186-R233 WeakPolarHBondContact NE2-CD 3.48Å
187	L	89.7	Confident	82.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.9	168.6	-177.8	75.7	0	0	0	109	C152 T154 F180 A189 K196 Y197 A200 P206 I207 L208	C152-L187 HydrophobicContact CB-CD1 3.96Å; T154-L187 HydrophobicContact CG2-CD1 3.92Å; T154-L187 HydrophobicContact CG2-CD2 3.95Å; T154-L187 HydrophobicContact CG2-CG 4.07Å; F180-L187 HydrophobicContact CD2-CD1 4.3Å; L187-A189 HydrophobicContact CD2-CB 4.42Å; L187-K196 HydrophobicContact CD1-CB 4.48Å; L187-Y197 HydrophobicContact CD2-CD2 4.45Å; L187-A200 HydrophobicContact CB-CB 3.99Å; L187-A200 HydrophobicContact CD2-CB 3.56Å; L187-A200 HydrophobicContact CG-CB 4.33Å; L187-P206 PolarHBondContact N-O 3.49Å; L187-I207 HydrophobicContact CB-CG1 4.38Å; L187-I207 HydrophobicContact CB-CG2 4.47Å; L187-I207 HydrophobicContact CD2-CD1 4.18Å; L187-I207 HydrophobicContact CD2-CG1 4.22Å; L187-I207 HydrophobicContact CD2-CG2 4.03Å; L187-I207 HydrophobicContact CG-CG2 4.43Å; L187-I207 CarbonylContact O-C 3.59Å; L187-I207 WeakPolarHBondContact O-CA 3.25Å; L187-L208 PolarHBondContact O-N 3.18Å
188	V	89.5	Confident	82.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.5	169.9	-172.1	0	0	0	0	108.8	L151 C152 L153 T154 F156 L208 P210 W212 I213	L151-V188 HydrophobicContact CD2-CG2 4.13Å; C152-V188 PolarHBondContact O-N 2.99Å; L153-V188 WeakPolarHBondContact CA-O 3.38Å; L153-V188 HydrophobicContact CD2-CB 3.65Å; L153-V188 HydrophobicContact CD2-CG1 4.45Å; L153-V188 HydrophobicContact CD2-CG2 3.91Å; T154-V188 PolarHBondContact N-O 3.1Å; F156-V188 HydrophobicContact CZ-CG1 4.2Å; V188-L208 VanDerWaalsContact CA-O 3.29Å; V188-L208 WeakPolarHBondContact CA-O 3.37Å; V188-P210 HydrophobicContact CG1-CB 4.26Å; V188-W212 HydrophobicContact CG2-CE3 4.06Å; V188-W212 HydrophobicContact CG2-CZ3 4.01Å; V188-I213 HydrophobicContact CG1-CD1 4.32Å; V188-I213 HydrophobicContact CG2-CD1 4.2Å
189	A	86.7	Confident	82.5	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.033	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	115.5	-169.3	0	0	0	0	0	111.9	T154 L187 S191 Y197 I207 L208 V238	T154-A189 HydrophobicContact CG2-CB 3.62Å; L187-A189 HydrophobicContact CD2-CB 4.42Å; A189-S191 VanDerWaalsContact C-N 3.34Å; A189-Y197 HydrophobicContact CB-CD2 4.08Å; A189-I207 HydrophobicContact CB-CG2 3.63Å; A189-L208 PolarHBondContact N-O 3.28Å; A189-V238 HydrophobicContact CB-CG2 4.4Å
190	Y	81.2	Confident	82.6	Confident	115 Å²	115	51 Å²	51	45%	0.451	27%	0.265	S	S	.	.	S	Bend	trans	-78.5	-22	168.1	-166.2	-80.7	0	0	0	111.8	T154 F156 P210	T154-Y190 PolarHBondContact O-N 3.31Å; F156-Y190 HydrophobicContact CD1-CD2 4.02Å; F156-Y190 HydrophobicContact CD1-CG 4.28Å; F156-Y190 HydrophobicContact CE1-CD2 4.05Å; F156-Y190 HydrophobicContact CE1-CG 4.49Å; Y190-P210 HydrophobicContact CD2-CG 4.19Å
191	S	75.8	Confident	82.4	Confident	32 Å²	32	50.4 Å²	50.4	22%	0.224	26%	0.264	C	S	.	.			trans	-132	139.4	177	-169.9	0	0	0	0	110.9	A189 H193	A189-S191 VanDerWaalsContact C-N 3.34Å; S191-H193 PolarHBondContact O-N 2.83Å; S191-H193 PolarHBondContact OG-N 3.33Å
192	T	75.4	Confident	82.2	Confident	8 Å²	8	53.7 Å²	53.7	5%	0.049	29%	0.285	C	S	.	.	S	Bend	trans	-78.8	0.6	173.8	50.5	0	0	0	0	113.1	Y197 V238 Q242 R316	T192-Y197 HydrophobicContact CG2-CE2 3.87Å; T192-Y197 WeakPolarHBondContact O-CD1 3.4Å; T192-V238 HydrophobicContact CG2-CG1 3.66Å; T192-Q242 HydrophobicContact CG2-CB 4.04Å; T192-Q242 PolarHBondContact OG1-O 3.47Å; T192-R316 PolarHBondContact OG1-NH1 2.85Å
193	H	69.3	Low	82	Confident	94 Å²	94	54.6 Å²	54.6	44%	0.435	28%	0.277	S	S	.	.			trans	-99.4	137.9	173.3	-62.6	-92.4	0	0	0	111.7	S191 R316	S191-H193 PolarHBondContact O-N 2.83Å; S191-H193 PolarHBondContact OG-N 3.33Å; H193-R316 PolarHBondContact CD2-NH1 2.88Å; H193-R316 PolarHBondContact CE1-NH1 3.25Å; H193-R316 VanDerWaalsContact CE1-NH1 3.33Å; H193-R316 PolarHBondContact CE1-NH2 2.76Å; H193-R316 PolarHBondContact NE2-NH1 3.38Å
194	G	78.5	Confident	81.7	Confident	38 Å²	38	50 Å²	50	39%	0.392	27%	0.269	S	S	.	.	S	Bend	trans	135.4	158.4	168.5	0	0	0	0	0	113.9	K196 Y197 R198	G194-K196 PolarHBondContact O-N 3.35Å; G194-Y197 WeakPolarHBondContact O-CB 3.14Å; G194-Y197 PolarHBondContact O-N 2.71Å; G194-R198 PolarHBondContact O-N 3.48Å; G194-R198 VanDerWaalsContact O-N 3.09Å
195	E	80.6	Confident	81.6	Confident	144 Å²	144	50.3 Å²	50.3	67%	0.673	27%	0.271	S	S	*	.	H	α-helix	trans	-59.3	-44.3	-179	-175.8	174.5	-151.4	0	0	112.5	Y197 R198 L199	E195-Y197 VanDerWaalsContact C-N 3.27Å; E195-Y197 PolarHBondContact O-N 3.11Å; E195-R198 PolarHBondContact O-N 3.36Å; E195-R198 VanDerWaalsContact O-N 3.16Å; E195-L199 HydrophobicContact CG-CD1 3.97Å; E195-L199 HydrophobicContact CG-CG 4.34Å; E195-L199 WeakPolarHBondContact O-CG 3.45Å; E195-L199 PolarHBondContact O-N 3.39Å
196	K	84.3	Confident	81.5	Confident	56 Å²	56	49.3 Å²	49.3	24%	0.243	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-33.6	177.5	-61.5	-175.7	178.5	-178.1	0	112.8	K178 D179 F180 L187 G194 A200	K178-K196 PolarHBondContact O-NZ 2.78Å; D179-K196 IonicContact OD1-NZ 2.71Å; D179-K196 PolarHBondContact OD1-NZ 3.37Å; F180-K196 HydrophobicContact CB-CB 4.39Å; F180-K196 HydrophobicContact CB-CG 4.15Å; L187-K196 HydrophobicContact CD1-CB 4.48Å; G194-K196 PolarHBondContact O-N 3.35Å; K196-A200 WeakPolarHBondContact O-CB 3.49Å; K196-A200 PolarHBondContact O-N 3.49Å
197	Y	85.9	Confident	81.5	Confident	4 Å²	4	50 Å²	50	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-68.6	-50.8	173.2	-177	-81.1	0	0	0	110.7	L187 A189 T192 G194 E195 L199 A200 V201 I207 R316	L187-Y197 HydrophobicContact CD2-CD2 4.45Å; A189-Y197 HydrophobicContact CB-CD2 4.08Å; T192-Y197 HydrophobicContact CG2-CE2 3.87Å; T192-Y197 WeakPolarHBondContact O-CD1 3.4Å; G194-Y197 WeakPolarHBondContact O-CB 3.14Å; G194-Y197 PolarHBondContact O-N 2.71Å; E195-Y197 VanDerWaalsContact C-N 3.27Å; E195-Y197 PolarHBondContact O-N 3.11Å; Y197-L199 VanDerWaalsContact C-N 3.34Å; Y197-L199 PolarHBondContact O-N 2.94Å; Y197-A200 PolarHBondContact O-N 2.92Å; Y197-A200 VanDerWaalsContact O-N 3.15Å; Y197-V201 HydrophobicContact CD1-CG2 3.97Å; Y197-V201 HydrophobicContact CE1-CG2 3.56Å; Y197-V201 WeakPolarHBondContact O-CG2 3.32Å; Y197-V201 PolarHBondContact O-N 3.5Å; Y197-I207 HydrophobicContact CD1-CD1 4.45Å; Y197-I207 HydrophobicContact CD2-CD1 3.81Å; Y197-I207 HydrophobicContact CD2-CG2 4.02Å; Y197-I207 HydrophobicContact CE1-CD1 4.27Å; Y197-I207 HydrophobicContact CE2-CD1 3.63Å; Y197-I207 HydrophobicContact CE2-CG2 3.8Å; Y197-I207 HydrophobicContact CG-CD1 4.22Å; Y197-R316 HydrophobicContact CE1-CB 3.88Å; Y197-R316 WeakPolarHBondContact OH-CB 3.46Å; Y197-R316 PolarHBondContact OH-N 3.24Å
198	R	80.3	Confident	81.5	Confident	138 Å²	138	50 Å²	50	52%	0.521	27%	0.269	S	S	.	.	H	α-helix	trans	-56.9	-45.3	178.3	-70	175.8	62.7	-150	-0.6	112.3	G194 E195 A200 V201 C202	G194-R198 PolarHBondContact O-N 3.48Å; G194-R198 VanDerWaalsContact O-N 3.09Å; E195-R198 PolarHBondContact O-N 3.36Å; E195-R198 VanDerWaalsContact O-N 3.16Å; R198-A200 PolarHBondContact O-N 3.12Å; R198-V201 PolarHBondContact O-N 3Å; R198-C202 PolarHBondContact O-N 3.36Å; R198-C202 PolarHBondContact O-SG 3.26Å
199	L	81.5	Confident	81.4	Confident	76 Å²	76	51 Å²	51	40%	0.398	28%	0.276	S	S	.	.	H	α-helix	trans	-63	-39.8	177.5	-68.9	172.7	0	0	0	112.2	F180 E195 Y197 C202 M203	F180-L199 HydrophobicContact CD1-CB 3.6Å; F180-L199 HydrophobicContact CD1-CD1 4.28Å; F180-L199 HydrophobicContact CE1-CB 3.77Å; E195-L199 HydrophobicContact CG-CD1 3.97Å; E195-L199 HydrophobicContact CG-CG 4.34Å; E195-L199 WeakPolarHBondContact O-CG 3.45Å; E195-L199 PolarHBondContact O-N 3.39Å; Y197-L199 VanDerWaalsContact C-N 3.34Å; Y197-L199 PolarHBondContact O-N 2.94Å; L199-C202 PolarHBondContact O-N 2.93Å; L199-M203 WeakPolarHBondContact O-CB 3.38Å; L199-M203 WeakPolarHBondContact O-CG 3.49Å; L199-M203 PolarHBondContact O-N 3.06Å
200	A	84.2	Confident	81.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-42.6	174.7	0	0	0	0	0	112.6	F180 L187 K196 Y197 R198 M203 G204 T205 I207	F180-A200 HydrophobicContact CE2-CB 3.89Å; F180-A200 HydrophobicContact CZ-CB 3.76Å; L187-A200 HydrophobicContact CB-CB 3.99Å; L187-A200 HydrophobicContact CD2-CB 3.56Å; L187-A200 HydrophobicContact CG-CB 4.33Å; K196-A200 WeakPolarHBondContact O-CB 3.49Å; K196-A200 PolarHBondContact O-N 3.49Å; Y197-A200 PolarHBondContact O-N 2.92Å; Y197-A200 VanDerWaalsContact O-N 3.15Å; R198-A200 PolarHBondContact O-N 3.12Å; A200-M203 CarbonylContact O-C 3.53Å; A200-M203 PolarHBondContact O-N 3Å; A200-G204 PolarHBondContact O-N 3.24Å; A200-T205 PolarHBondContact O-N 3.35Å; A200-I207 HydrophobicContact CB-CD1 3.9Å; A200-I207 HydrophobicContact CB-CG1 4.04Å
201	V	81.9	Confident	81.7	Confident	18 Å²	18	48.4 Å²	48.4	11%	0.109	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-47.7	173.4	178.8	0	0	0	0	110.8	Y197 R198 M203 G204 I207 A315	Y197-V201 HydrophobicContact CD1-CG2 3.97Å; Y197-V201 HydrophobicContact CE1-CG2 3.56Å; Y197-V201 WeakPolarHBondContact O-CG2 3.32Å; Y197-V201 PolarHBondContact O-N 3.5Å; R198-V201 PolarHBondContact O-N 3Å; V201-M203 VanDerWaalsContact C-N 3.26Å; V201-M203 PolarHBondContact O-N 3.33Å; V201-G204 PolarHBondContact O-N 2.96Å; V201-G204 VanDerWaalsContact O-N 3.11Å; V201-I207 HydrophobicContact CG2-CD1 3.55Å; V201-A315 HydrophobicContact CG1-CB 4.08Å; V201-A315 HydrophobicContact CG2-CB 3.88Å
202	C	77.4	Confident	82.4	Confident	111 Å²	111	46.9 Å²	46.9	75%	0.75	26%	0.264	S	S	*	.	H	α-helix	trans	-62.7	-30	178.3	-68.2	0	0	0	0	113.6	R198 L199	R198-C202 PolarHBondContact O-N 3.36Å; R198-C202 PolarHBondContact O-SG 3.26Å; L199-C202 PolarHBondContact O-N 2.93Å
203	M	76.7	Confident	82.9	Confident	103 Å²	103	46.5 Å²	46.5	51%	0.507	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	0.5	176.7	-67.7	-165.2	66	0	0	113.9	F180 A182 L199 A200 V201 T205	F180-M203 HydrophobicContact CE1-CG 4.41Å; F180-M203 HydrophobicContact CE1-SD 3.76Å; F180-M203 HydrophobicContact CZ-SD 4.44Å; A182-M203 HydrophobicContact CB-CE 3.8Å; L199-M203 WeakPolarHBondContact O-CB 3.38Å; L199-M203 WeakPolarHBondContact O-CG 3.49Å; L199-M203 PolarHBondContact O-N 3.06Å; A200-M203 CarbonylContact O-C 3.53Å; A200-M203 PolarHBondContact O-N 3Å; V201-M203 VanDerWaalsContact C-N 3.26Å; V201-M203 PolarHBondContact O-N 3.33Å; M203-T205 PolarHBondContact O-N 3.42Å
204	G	75.8	Confident	83.8	Confident	45 Å²	45	46.5 Å²	46.5	46%	0.464	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	15.1	-175	0	0	0	0	0	114.3	A200 V201	A200-G204 PolarHBondContact O-N 3.24Å; V201-G204 PolarHBondContact O-N 2.96Å; V201-G204 VanDerWaalsContact O-N 3.11Å
205	T	84.8	Confident	84.1	Confident	16 Å²	16	48.5 Å²	48.5	10%	0.098	26%	0.259	C	S	.	.			trans	-69.2	125.7	-178.7	-50.6	0	0	0	0	109.6	F180 A200 M203 I207	F180-T205 HydrophobicContact CE2-CG2 4.3Å; F180-T205 HydrophobicContact CZ-CG2 4.33Å; A200-T205 PolarHBondContact O-N 3.35Å; M203-T205 PolarHBondContact O-N 3.42Å; T205-I207 WeakPolarHBondContact O-CG1 3.3Å; T205-I207 PolarHBondContact O-N 3.23Å
206	P	84.1	Confident	84.3	Confident	31 Å²	31	41.6 Å²	41.6	20%	0.201	23%	0.227	C	C	.	.			trans	-55.4	130.2	-179.9	-25.6	32.8	0	0	0	112.6	L187	L187-P206 PolarHBondContact N-O 3.49Å
207	I	88.1	Confident	84.3	Confident	16 Å²	16	41.1 Å²	41.1	8%	0.082	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	114.5	-180	-47.8	-176.2	0	0	0	109.5	L187 A189 Y197 A200 V201 T205 V238	L187-I207 HydrophobicContact CB-CG1 4.38Å; L187-I207 HydrophobicContact CB-CG2 4.47Å; L187-I207 HydrophobicContact CD2-CD1 4.18Å; L187-I207 HydrophobicContact CD2-CG1 4.22Å; L187-I207 HydrophobicContact CD2-CG2 4.03Å; L187-I207 HydrophobicContact CG-CG2 4.43Å; L187-I207 CarbonylContact O-C 3.59Å; L187-I207 WeakPolarHBondContact O-CA 3.25Å; A189-I207 HydrophobicContact CB-CG2 3.63Å; Y197-I207 HydrophobicContact CD1-CD1 4.45Å; Y197-I207 HydrophobicContact CD2-CD1 3.81Å; Y197-I207 HydrophobicContact CD2-CG2 4.02Å; Y197-I207 HydrophobicContact CE1-CD1 4.27Å; Y197-I207 HydrophobicContact CE2-CD1 3.63Å; Y197-I207 HydrophobicContact CE2-CG2 3.8Å; Y197-I207 HydrophobicContact CG-CD1 4.22Å; A200-I207 HydrophobicContact CB-CD1 3.9Å; A200-I207 HydrophobicContact CB-CG1 4.04Å; V201-I207 HydrophobicContact CG2-CD1 3.55Å; T205-I207 WeakPolarHBondContact O-CG1 3.3Å; T205-I207 PolarHBondContact O-N 3.23Å; I207-V238 HydrophobicContact CG2-CB 4.31Å; I207-V238 HydrophobicContact CG2-CG2 4.03Å; I207-V238 PolarHBondContact O-N 3Å
208	L	89.3	Confident	84.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	153	-170.4	-55.1	-177.3	0	0	0	112	L187 V188 A189 W212 R233 K237 V238	L187-L208 PolarHBondContact O-N 3.18Å; V188-L208 VanDerWaalsContact CA-O 3.29Å; V188-L208 WeakPolarHBondContact CA-O 3.37Å; A189-L208 PolarHBondContact N-O 3.28Å; L208-W212 HydrophobicContact CB-CB 4.31Å; L208-W212 HydrophobicContact CB-CD2 4.28Å; L208-W212 HydrophobicContact CB-CE3 4.17Å; L208-W212 HydrophobicContact CB-CG 4.35Å; L208-W212 HydrophobicContact CD1-CD2 3.36Å; L208-W212 HydrophobicContact CD1-CE3 3.63Å; L208-W212 HydrophobicContact CD1-CG 3.83Å; L208-W212 HydrophobicContact CD1-CH2 3.97Å; L208-W212 HydrophobicContact CD1-CZ2 3.72Å; L208-W212 HydrophobicContact CD1-CZ3 3.91Å; L208-W212 HydrophobicContact CG-CD2 4.45Å; L208-R233 HydrophobicContact CD1-CG 4.22Å; L208-R233 HydrophobicContact CD2-CG 4.02Å; L208-R233 WeakPolarHBondContact CD2-O 3.38Å; L208-K237 HydrophobicContact CD2-CG 4.15Å; L208-V238 VanDerWaalsContact C-CG2 3.42Å; L208-V238 WeakPolarHBondContact O-CG2 3.37Å
209	S	88.6	Confident	83.9	Confident	22 Å²	22	43.4 Å²	43.4	15%	0.154	24%	0.239	C	C	.	.			trans	-77.8	152.5	175.2	54.9	0	0	0	0	111.3	S211 W212 F236	S209-S211 PolarHBondContact O-N 3.45Å; S209-S211 PolarHBondContact OG-OG 3.1Å; S209-S211 VanDerWaalsContact OG-OG 3.08Å; S209-W212 WeakPolarHBondContact O-CB 3.48Å; S209-W212 PolarHBondContact O-N 3.14Å; S209-F236 PolarHBondContact N-O 3.24Å; S209-F236 PolarHBondContact OG-O 2.73Å
210	P	87.1	Confident	83.3	Confident	22 Å²	22	42.7 Å²	42.7	14%	0.143	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.9	179.4	23.3	-33.3	0	0	0	114.1	F156 L165 V188 Y190 W212 I213	F156-P210 HydrophobicContact CE1-CB 3.92Å; F156-P210 HydrophobicContact CE1-CG 4.28Å; F156-P210 HydrophobicContact CZ-CB 3.98Å; F156-P210 HydrophobicContact CZ-CG 4.47Å; L165-P210 HydrophobicContact CD1-CB 3.8Å; V188-P210 HydrophobicContact CG1-CB 4.26Å; Y190-P210 HydrophobicContact CD2-CG 4.19Å; P210-W212 PolarHBondContact O-N 2.99Å; P210-I213 PolarHBondContact O-N 3.41Å
211	S	86.1	Confident	82.4	Confident	43 Å²	43	46.6 Å²	46.6	30%	0.301	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-22.9	172.6	42.2	0	0	0	0	113.1	S209 I213 Q214 K215	S209-S211 PolarHBondContact O-N 3.45Å; S209-S211 PolarHBondContact OG-OG 3.1Å; S209-S211 VanDerWaalsContact OG-OG 3.08Å; S211-I213 VanDerWaalsContact C-N 3.33Å; S211-I213 PolarHBondContact O-N 3.41Å; S211-Q214 PolarHBondContact O-N 2.83Å; S211-K215 WeakPolarHBondContact O-CB 3.47Å; S211-K215 WeakPolarHBondContact O-CG 3.3Å; S211-K215 PolarHBondContact O-N 3.09Å
212	W	89.8	Confident	81.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-54.1	-47.7	170.7	173.9	62.7	0	0	0	111.9	M146 L149 L151 H186 V188 L208 S209 P210 Q214 K215 A216 A227 F232 F236	M146-W212 HydrophobicContact CE-CD2 4.28Å; M146-W212 HydrophobicContact CE-CE3 4.19Å; M146-W212 HydrophobicContact CE-CH2 3.9Å; M146-W212 HydrophobicContact CE-CZ2 3.98Å; M146-W212 HydrophobicContact CE-CZ3 4.02Å; M146-W212 HydrophobicContact SD-CH2 4.4Å; L149-W212 HydrophobicContact CD1-CH2 4.22Å; L149-W212 HydrophobicContact CD1-CZ2 4.34Å; L151-W212 HydrophobicContact CD1-CH2 4.43Å; L151-W212 HydrophobicContact CD2-CH2 4.25Å; L151-W212 HydrophobicContact CD2-CZ3 3.67Å; L151-W212 HydrophobicContact CG-CH2 4.44Å; L151-W212 HydrophobicContact CG-CZ3 4.14Å; H186-W212 HydrophobicContact CB-CH2 4.33Å; V188-W212 HydrophobicContact CG2-CE3 4.06Å; V188-W212 HydrophobicContact CG2-CZ3 4.01Å; L208-W212 HydrophobicContact CB-CB 4.31Å; L208-W212 HydrophobicContact CB-CD2 4.28Å; L208-W212 HydrophobicContact CB-CE3 4.17Å; L208-W212 HydrophobicContact CB-CG 4.35Å; L208-W212 HydrophobicContact CD1-CD2 3.36Å; L208-W212 HydrophobicContact CD1-CE3 3.63Å; L208-W212 HydrophobicContact CD1-CG 3.83Å; L208-W212 HydrophobicContact CD1-CH2 3.97Å; L208-W212 HydrophobicContact CD1-CZ2 3.72Å; L208-W212 HydrophobicContact CD1-CZ3 3.91Å; L208-W212 HydrophobicContact CG-CD2 4.45Å; S209-W212 WeakPolarHBondContact O-CB 3.48Å; S209-W212 PolarHBondContact O-N 3.14Å; P210-W212 PolarHBondContact O-N 2.99Å; W212-Q214 PolarHBondContact O-N 3.21Å; W212-K215 PolarHBondContact O-N 3.18Å; W212-A216 VanDerWaalsContact O-CB 3.22Å; W212-A216 WeakPolarHBondContact O-CB 3.35Å; W212-A216 PolarHBondContact O-N 3.1Å; W212-A227 HydrophobicContact CZ2-CB 3.73Å; W212-A227 WeakPolarHBondContact CZ2-O 3.49Å; W212-A227 PolarHBondContact NE1-O 3.05Å; W212-A227 VanDerWaalsContact NE1-O 3.17Å; W212-F232 AromaticContact CD1-CD1 3.91Å; W212-F232 AromaticContact CD1-CE1 3.32Å; W212-F232 AromaticContact CD1-CZ 3.98Å; W212-F232 HydrophobicContact CG-CE1 4.45Å; W212-F232 AromaticContact NE1-CD1 3.74Å; W212-F232 AromaticContact NE1-CE1 3.4Å; W212-F236 HydrophobicContact CB-CB 3.65Å; W212-F236 HydrophobicContact CB-CG 4.1Å; W212-F236 HydrophobicContact CG-CB 4.24Å
213	I	87.4	Confident	81	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-45.2	179.6	-61.7	166.8	0	0	0	109.9	M146 L151 L165 L168 V169 V188 P210 S211 A216 W217	M146-I213 HydrophobicContact CE-CG1 4.24Å; L151-I213 HydrophobicContact CD2-CD1 4.47Å; L165-I213 HydrophobicContact CB-CD1 4.2Å; L165-I213 HydrophobicContact CD2-CB 4.06Å; L165-I213 HydrophobicContact CD2-CD1 4.13Å; L165-I213 HydrophobicContact CD2-CG2 4.11Å; L168-I213 HydrophobicContact CB-CG2 3.86Å; L168-I213 HydrophobicContact CD1-CG2 4.29Å; V169-I213 HydrophobicContact CG2-CD1 3.68Å; V169-I213 HydrophobicContact CG2-CG1 3.94Å; V169-I213 HydrophobicContact CG2-CG2 3.86Å; V188-I213 HydrophobicContact CG1-CD1 4.32Å; V188-I213 HydrophobicContact CG2-CD1 4.2Å; P210-I213 PolarHBondContact O-N 3.41Å; S211-I213 VanDerWaalsContact C-N 3.33Å; S211-I213 PolarHBondContact O-N 3.41Å; I213-A216 PolarHBondContact O-N 2.94Å; I213-W217 WeakPolarHBondContact O-CB 3.46Å; I213-W217 PolarHBondContact O-N 3.18Å
214	Q	86.7	Confident	80.5	Confident	93 Å²	93	51 Å²	51	44%	0.435	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-44.5	-179.7	-63.8	172.5	-16.4	0	0	111.6	L165 S211 W212 W217 E218	L165-Q214 HydrophobicContact CD2-CG 4.14Å; S211-Q214 PolarHBondContact O-N 2.83Å; W212-Q214 PolarHBondContact O-N 3.21Å; Q214-W217 PolarHBondContact O-N 3.21Å; Q214-E218 PolarHBondContact O-N 2.97Å
215	K	85.5	Confident	80.4	Confident	80 Å²	80	50.2 Å²	50.2	35%	0.348	25%	0.245	S	C	.	.	H	α-helix	trans	-72.8	-26.3	177.3	-66.9	-47.3	-166.4	-175.7	0	113.6	S211 W212 E218 K219 F232 F236	S211-K215 WeakPolarHBondContact O-CB 3.47Å; S211-K215 WeakPolarHBondContact O-CG 3.3Å; S211-K215 PolarHBondContact O-N 3.09Å; W212-K215 PolarHBondContact O-N 3.18Å; K215-E218 VanDerWaalsContact CD-CD 3.41Å; K215-E218 HydrophobicContact CD-CG 4.46Å; K215-E218 WeakPolarHBondContact CD-OE1 3.36Å; K215-E218 WeakPolarHBondContact CD-OE2 3.39Å; K215-E218 WeakPolarHBondContact CE-OE2 3.17Å; K215-E218 IonicContact NZ-OE1 2.6Å; K215-E218 PolarHBondContact NZ-OE1 3.2Å; K215-E218 IonicContact NZ-OE2 2.77Å; K215-E218 PolarHBondContact NZ-OE2 3.48Å; K215-K219 PolarHBondContact O-N 3.3Å; K215-F232 HydrophobicContact CB-CE2 4.2Å; K215-F232 HydrophobicContact CB-CZ 4.09Å; K215-F236 HydrophobicContact CB-CE1 4.13Å; K215-F236 HydrophobicContact CB-CE2 4.18Å; K215-F236 HydrophobicContact CB-CZ 3.76Å; K215-F236 HydrophobicContact CG-CE1 3.66Å; K215-F236 HydrophobicContact CG-CE2 4.5Å; K215-F236 HydrophobicContact CG-CZ 3.61Å
216	A	85.3	Confident	80	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-71.1	-36.8	170.1	0	0	0	0	0	110.8	M146 M172 W212 I213 K219 R220 F225 A227 F232	M146-A216 HydrophobicContact CE-CB 3.81Å; M172-A216 VanDerWaalsContact CE-C 3.5Å; M172-A216 HydrophobicContact CE-CB 3.64Å; M172-A216 WeakPolarHBondContact CE-O 3.38Å; M172-A216 HydrophobicContact SD-CB 4.13Å; W212-A216 VanDerWaalsContact O-CB 3.22Å; W212-A216 WeakPolarHBondContact O-CB 3.35Å; W212-A216 PolarHBondContact O-N 3.1Å; I213-A216 PolarHBondContact O-N 2.94Å; A216-K219 CarbonylContact O-C 3.58Å; A216-K219 PolarHBondContact O-N 3.21Å; A216-R220 PolarHBondContact O-N 3.36Å; A216-F225 HydrophobicContact CB-CE1 4.17Å; A216-F225 HydrophobicContact CB-CZ 4.35Å; A216-A227 HydrophobicContact CB-CB 4.29Å; A216-F232 HydrophobicContact CB-CE1 3.9Å; A216-F232 HydrophobicContact CB-CZ 4.01Å
217	W	82.9	Confident	79.7	Confident	46 Å²	46	50.9 Å²	50.9	17%	0.174	24%	0.244	C	C	.	.	H	α-helix	trans	-71.3	-30.3	173.7	-174.5	-102.6	0	0	0	113.7	Y142 L168 H171 M172 I213 Q214 K219 R220	Y142-W217 HydrophobicContact CD1-CH2 4.15Å; Y142-W217 HydrophobicContact CD1-CZ3 4.32Å; Y142-W217 HydrophobicContact CD2-CH2 4.1Å; Y142-W217 AromaticContact CG-CH2 3.68Å; Y142-W217 HydrophobicContact CG-CH2 3.68Å; Y142-W217 HydrophobicContact CG-CZ3 4.15Å; L168-W217 HydrophobicContact CD2-CD2 3.68Å; L168-W217 HydrophobicContact CD2-CE3 4.2Å; L168-W217 HydrophobicContact CD2-CG 3.8Å; L168-W217 HydrophobicContact CD2-CZ2 4.35Å; H171-W217 HydrophobicContact CB-CH2 3.81Å; H171-W217 HydrophobicContact CB-CZ3 3.59Å; M172-W217 HydrophobicContact CG-CE3 3.67Å; M172-W217 HydrophobicContact CG-CZ3 4.02Å; M172-W217 HydrophobicContact SD-CB 4.28Å; M172-W217 HydrophobicContact SD-CE3 4.06Å; I213-W217 WeakPolarHBondContact O-CB 3.46Å; I213-W217 PolarHBondContact O-N 3.18Å; Q214-W217 PolarHBondContact O-N 3.21Å; W217-K219 PolarHBondContact O-N 3.09Å; W217-R220 HydrophobicContact CE3-CB 4.37Å; W217-R220 VanDerWaalsContact O-CB 3.25Å; W217-R220 WeakPolarHBondContact O-CB 3.23Å; W217-R220 VanDerWaalsContact O-CD 3.26Å; W217-R220 WeakPolarHBondContact O-CD 3.49Å; W217-R220 WeakPolarHBondContact O-CG 3.46Å; W217-R220 PolarHBondContact O-N 3.06Å; W217-R220 PolarHBondContact O-NH1 3.27Å
218	E	83.2	Confident	79.3	Confident	116 Å²	116	52.9 Å²	52.9	54%	0.542	26%	0.255	S	S	.	.	H	α-helix	trans	-63.1	-33	168.1	-75.9	175.2	-153.6	0	0	112	Q214 K215	Q214-E218 PolarHBondContact O-N 2.97Å; K215-E218 VanDerWaalsContact CD-CD 3.41Å; K215-E218 HydrophobicContact CD-CG 4.46Å; K215-E218 WeakPolarHBondContact CD-OE1 3.36Å; K215-E218 WeakPolarHBondContact CD-OE2 3.39Å; K215-E218 WeakPolarHBondContact CE-OE2 3.17Å; K215-E218 IonicContact NZ-OE1 2.6Å; K215-E218 PolarHBondContact NZ-OE1 3.2Å; K215-E218 IonicContact NZ-OE2 2.77Å; K215-E218 PolarHBondContact NZ-OE2 3.48Å
219	K	75.5	Confident	78.9	Confident	73 Å²	73	56.2 Å²	56.2	32%	0.317	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	8.4	178.4	-69.5	178.8	-177.4	177.4	0	114.2	K215 A216 W217 D221 H222 F225 F232	K215-K219 PolarHBondContact O-N 3.3Å; A216-K219 CarbonylContact O-C 3.58Å; A216-K219 PolarHBondContact O-N 3.21Å; W217-K219 PolarHBondContact O-N 3.09Å; K219-D221 PolarHBondContact O-N 2.67Å; K219-H222 PolarHBondContact O-N 2.98Å; K219-H222 VanDerWaalsContact O-N 3.12Å; K219-F225 HydrophobicContact CB-CD1 3.66Å; K219-F225 HydrophobicContact CB-CE1 3.59Å; K219-F225 HydrophobicContact CB-CG 4.31Å; K219-F225 HydrophobicContact CB-CZ 4.17Å; K219-F225 HydrophobicContact CD-CD2 4.42Å; K219-F225 HydrophobicContact CD-CE1 4.18Å; K219-F225 HydrophobicContact CD-CE2 4.02Å; K219-F225 HydrophobicContact CD-CZ 3.88Å; K219-F232 HydrophobicContact CD-CE2 4.18Å; K219-F232 VanDerWaalsContact NZ-CD2 3.3Å
220	R	68.6	Low	78.3	Confident	62 Å²	62	61.5 Å²	61.5	23%	0.234	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.6	-170.1	66.6	-175.2	-172.1	-72.7	-10.1	115.9	Y142 C143 A216 W217	Y142-R220 HydrophobicContact CD1-CB 4.06Å; Y142-R220 HydrophobicContact CD1-CG 4.03Å; Y142-R220 HydrophobicContact CE1-CB 3.96Å; Y142-R220 HydrophobicContact CE1-CG 3.49Å; Y142-R220 VanDerWaalsContact CE1-CG 3.49Å; Y142-R220 PolarHBondContact OH-NE 3.1Å; C143-R220 HydrophobicContact CB-CB 4.48Å; C143-R220 WeakPolarHBondContact CB-O 3.43Å; A216-R220 PolarHBondContact O-N 3.36Å; W217-R220 HydrophobicContact CE3-CB 4.37Å; W217-R220 VanDerWaalsContact O-CB 3.25Å; W217-R220 WeakPolarHBondContact O-CB 3.23Å; W217-R220 VanDerWaalsContact O-CD 3.26Å; W217-R220 WeakPolarHBondContact O-CD 3.49Å; W217-R220 WeakPolarHBondContact O-CG 3.46Å; W217-R220 PolarHBondContact O-N 3.06Å; W217-R220 PolarHBondContact O-NH1 3.27Å
221	D	65.4	Low	77.8	Confident	82 Å²	82	68.7 Å²	68.7	44%	0.439	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.7	-176	-53.1	-56.8	0	0	0	113.1	Y142 K219 V223	Y142-D221 WeakPolarHBondContact CE1-OD1 3.44Å; Y142-D221 PolarHBondContact OH-OD1 2.96Å; K219-D221 PolarHBondContact O-N 2.67Å; D221-V223 PolarHBondContact O-N 3.07Å
222	H	69.4	Low	77.7	Confident	125 Å²	125	67.1 Å²	67.1	58%	0.579	32%	0.315	S	S	*	.			trans	-84	100.5	174.6	-66.2	-58.6	0	0	0	111.8	K219 H224 F225	K219-H222 PolarHBondContact O-N 2.98Å; K219-H222 VanDerWaalsContact O-N 3.12Å; H222-H224 PolarHBondContact O-N 3.11Å; H222-F225 HydrophobicContact CB-CB 3.71Å; H222-F225 WeakPolarHBondContact O-CB 3.39Å; H222-F225 PolarHBondContact O-N 3.21Å
223	V	61.5	Low	77.3	Confident	35 Å²	35	69.4 Å²	69.4	21%	0.212	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-24.9	-175.4	-175.6	0	0	0	0	115.1	L125 H126 D221	L125-V223 HydrophobicContact CB-CG1 3.91Å; L125-V223 HydrophobicContact CB-CG2 3.79Å; L125-V223 HydrophobicContact CD1-CG2 3.82Å; L125-V223 HydrophobicContact CG-CG2 4.46Å; H126-V223 HydrophobicContact CB-CG1 4.08Å; H126-V223 PolarHBondContact ND1-O 3.48Å; D221-V223 PolarHBondContact O-N 3.07Å
224	H	64.4	Low	77	Confident	164 Å²	164	73.1 Å²	73.1	76%	0.759	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	0.1	-179.8	-59.3	-52.9	0	0	0	114.8	H222	H222-H224 PolarHBondContact O-N 3.11Å
225	F	75.1	Confident	76.8	Confident	29 Å²	29	74.9 Å²	74.9	13%	0.127	35%	0.354	C	S	.	.			trans	-82.9	138	-178.2	167.3	-113.3	0	0	0	111.8	A145 A216 K219 H222 F232	A145-F225 HydrophobicContact CB-CD1 4.09Å; A145-F225 HydrophobicContact CB-CE1 4.36Å; A216-F225 HydrophobicContact CB-CE1 4.17Å; A216-F225 HydrophobicContact CB-CZ 4.35Å; K219-F225 HydrophobicContact CB-CD1 3.66Å; K219-F225 HydrophobicContact CB-CE1 3.59Å; K219-F225 HydrophobicContact CB-CG 4.31Å; K219-F225 HydrophobicContact CB-CZ 4.17Å; K219-F225 HydrophobicContact CD-CD2 4.42Å; K219-F225 HydrophobicContact CD-CE1 4.18Å; K219-F225 HydrophobicContact CD-CE2 4.02Å; K219-F225 HydrophobicContact CD-CZ 3.88Å; H222-F225 HydrophobicContact CB-CB 3.71Å; H222-F225 WeakPolarHBondContact O-CB 3.39Å; H222-F225 PolarHBondContact O-N 3.21Å; F225-F232 HydrophobicContact CE2-CB 4.31Å; F225-F232 AromaticContact CE2-CD1 3.84Å; F225-F232 HydrophobicContact CE2-CD1 3.84Å; F225-F232 HydrophobicContact CE2-CD2 4.34Å; F225-F232 HydrophobicContact CE2-CE1 4.25Å; F225-F232 AromaticContact CE2-CG 3.89Å; F225-F232 HydrophobicContact CE2-CG 3.89Å; F225-F232 AromaticContact CZ-CD1 3.65Å; F225-F232 HydrophobicContact CZ-CD1 3.65Å; F225-F232 HydrophobicContact CZ-CD2 4.39Å; F225-F232 AromaticContact CZ-CE1 3.59Å; F225-F232 HydrophobicContact CZ-CE1 3.59Å; F225-F232 HydrophobicContact CZ-CE2 4.3Å; F225-F232 HydrophobicContact CZ-CG 4.07Å; F225-F232 AromaticContact CZ-CZ 3.93Å; F225-F232 HydrophobicContact CZ-CZ 3.93Å
226	H	76.1	Confident	76.8	Confident	60 Å²	60	72.2 Å²	72.2	28%	0.278	34%	0.343	S	S	.	.			trans	-135.2	130.9	177.9	-169.7	-105.3	0	0	0	111.5	N228 D229	H226-N228 PolarHBondContact O-N 3.09Å; H226-D229 PolarHBondContact N-OD2 2.95Å; H226-D229 VanDerWaalsContact N-OD2 3.12Å; H226-D229 VanDerWaalsContact O-CB 3.28Å; H226-D229 WeakPolarHBondContact O-CB 3.33Å; H226-D229 PolarHBondContact O-N 3.01Å
227	A	77.9	Confident	76.8	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-9.8	-169.1	0	0	0	0	0	114.7	A145 M146 L149 W212 A216	A145-A227 VanDerWaalsContact O-CB 3.25Å; A145-A227 WeakPolarHBondContact O-CB 3.27Å; A145-A227 PolarHBondContact O-N 2.94Å; M146-A227 HydrophobicContact CE-CB 3.92Å; M146-A227 HydrophobicContact CG-CB 3.77Å; L149-A227 HydrophobicContact CD1-CB 4.38Å; W212-A227 HydrophobicContact CZ2-CB 3.73Å; W212-A227 WeakPolarHBondContact CZ2-O 3.49Å; W212-A227 PolarHBondContact NE1-O 3.05Å; W212-A227 VanDerWaalsContact NE1-O 3.17Å; A216-A227 HydrophobicContact CB-CB 4.29Å
228	N	78.4	Confident	77	Confident	58 Å²	58	73.7 Å²	73.7	31%	0.31	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.1	172.3	-173.7	62.7	0	0	0	113.6	L149 H186 H226 E230 R233	L149-N228 HydrophobicContact CD2-CB 4.2Å; H186-N228 PolarHBondContact CE1-OD1 3.05Å; H186-N228 PolarHBondContact NE2-OD1 3.27Å; H226-N228 PolarHBondContact O-N 3.09Å; N228-E230 PolarHBondContact O-N 2.61Å; N228-R233 PolarHBondContact OD1-NH1 3.34Å; N228-R233 VanDerWaalsContact OD1-NH1 3.14Å
229	D	81.1	Confident	77.1	Confident	71 Å²	71	69.9 Å²	69.9	38%	0.38	34%	0.337	S	S	.	.			trans	-56.6	126.8	176.9	-65	-20.9	0	0	0	110.1	H226 E231 F232 R233	H226-D229 PolarHBondContact N-OD2 2.95Å; H226-D229 VanDerWaalsContact N-OD2 3.12Å; H226-D229 VanDerWaalsContact O-CB 3.28Å; H226-D229 WeakPolarHBondContact O-CB 3.33Å; H226-D229 PolarHBondContact O-N 3.01Å; D229-E231 VanDerWaalsContact C-N 3.34Å; D229-E231 PolarHBondContact O-N 3.26Å; D229-F232 PolarHBondContact O-N 3.25Å; D229-R233 WeakPolarHBondContact O-CB 3.39Å; D229-R233 PolarHBondContact O-N 3.05Å
230	E	76.1	Confident	77.6	Confident	132 Å²	132	66.5 Å²	66.5	62%	0.617	32%	0.322	S	S	*	.	H	α-helix	trans	-62.1	-37.7	-163.6	-66.4	-135.2	94.1	0	0	114	N228 R233 T234	N228-E230 PolarHBondContact O-N 2.61Å; E230-R233 PolarHBondContact O-N 3.33Å; E230-R233 IonicContact OE1-CZ 3.84Å; E230-R233 IonicContact OE1-NH2 2.71Å; E230-R233 PolarHBondContact OE1-NH2 3.26Å; E230-T234 WeakPolarHBondContact O-CB 3.46Å; E230-T234 WeakPolarHBondContact O-CG2 3.48Å; E230-T234 PolarHBondContact O-N 3.47Å; E230-T234 PolarHBondContact O-OG1 2.96Å
231	E	78.1	Confident	78.5	Confident	174 Å²	174	63.5 Å²	63.5	81%	0.813	31%	0.311	S	S	*	.	H	α-helix	trans	-61.7	-52.2	177.3	-60	-175.6	166	0	0	110.3	D229 R233 T234 E235	D229-E231 VanDerWaalsContact C-N 3.34Å; D229-E231 PolarHBondContact O-N 3.26Å; E231-R233 VanDerWaalsContact C-N 3.32Å; E231-R233 PolarHBondContact O-N 2.82Å; E231-T234 PolarHBondContact O-N 2.89Å; E231-T234 PolarHBondContact O-OG1 3.35Å; E231-E235 PolarHBondContact O-N 3.06Å
232	F	82.5	Confident	79.4	Confident	10 Å²	10	62.9 Å²	62.9	4%	0.044	31%	0.305	C	S	.	.	H	α-helix	trans	-63.9	-37.8	177.1	-176.7	-110.1	0	0	0	112.1	W212 K215 A216 K219 F225 D229 T234 E235 F236	W212-F232 AromaticContact CD1-CD1 3.91Å; W212-F232 AromaticContact CD1-CE1 3.32Å; W212-F232 AromaticContact CD1-CZ 3.98Å; W212-F232 HydrophobicContact CG-CE1 4.45Å; W212-F232 AromaticContact NE1-CD1 3.74Å; W212-F232 AromaticContact NE1-CE1 3.4Å; K215-F232 HydrophobicContact CB-CE2 4.2Å; K215-F232 HydrophobicContact CB-CZ 4.09Å; A216-F232 HydrophobicContact CB-CE1 3.9Å; A216-F232 HydrophobicContact CB-CZ 4.01Å; K219-F232 HydrophobicContact CD-CE2 4.18Å; K219-F232 VanDerWaalsContact NZ-CD2 3.3Å; F225-F232 HydrophobicContact CE2-CB 4.31Å; F225-F232 AromaticContact CE2-CD1 3.84Å; F225-F232 HydrophobicContact CE2-CD1 3.84Å; F225-F232 HydrophobicContact CE2-CD2 4.34Å; F225-F232 HydrophobicContact CE2-CE1 4.25Å; F225-F232 AromaticContact CE2-CG 3.89Å; F225-F232 HydrophobicContact CE2-CG 3.89Å; F225-F232 AromaticContact CZ-CD1 3.65Å; F225-F232 HydrophobicContact CZ-CD1 3.65Å; F225-F232 HydrophobicContact CZ-CD2 4.39Å; F225-F232 AromaticContact CZ-CE1 3.59Å; F225-F232 HydrophobicContact CZ-CE1 3.59Å; F225-F232 HydrophobicContact CZ-CE2 4.3Å; F225-F232 HydrophobicContact CZ-CG 4.07Å; F225-F232 AromaticContact CZ-CZ 3.93Å; F225-F232 HydrophobicContact CZ-CZ 3.93Å; D229-F232 PolarHBondContact O-N 3.25Å; F232-T234 VanDerWaalsContact C-N 3.33Å; F232-T234 PolarHBondContact O-N 3.23Å; F232-E235 PolarHBondContact O-N 3.25Å; F232-F236 HydrophobicContact CD2-CD2 4.09Å; F232-F236 AromaticContact CD2-CE2 3.72Å; F232-F236 HydrophobicContact CD2-CE2 3.72Å; F232-F236 AromaticContact CE2-CD2 3.77Å; F232-F236 HydrophobicContact CE2-CD2 3.77Å; F232-F236 AromaticContact CE2-CE2 3.27Å; F232-F236 HydrophobicContact CE2-CE2 3.27Å; F232-F236 HydrophobicContact CE2-CZ 4.23Å; F232-F236 AromaticContact CZ-CD2 3.99Å; F232-F236 HydrophobicContact CZ-CD2 3.99Å; F232-F236 AromaticContact CZ-CE2 3.87Å; F232-F236 HydrophobicContact CZ-CE2 3.87Å; F232-F236 WeakPolarHBondContact O-CD2 3.22Å
233	R	82.3	Confident	80.1	Confident	48 Å²	48	61.9 Å²	61.9	18%	0.181	30%	0.304	C	S	.	.	H	α-helix	trans	-65.5	-34.9	177.3	-172.6	172.9	68.2	171.6	3.3	112.8	H186 L208 N228 D229 E230 E231	H186-R233 WeakPolarHBondContact NE2-CD 3.48Å; L208-R233 HydrophobicContact CD1-CG 4.22Å; L208-R233 HydrophobicContact CD2-CG 4.02Å; L208-R233 WeakPolarHBondContact CD2-O 3.38Å; N228-R233 PolarHBondContact OD1-NH1 3.34Å; N228-R233 VanDerWaalsContact OD1-NH1 3.14Å; D229-R233 WeakPolarHBondContact O-CB 3.39Å; D229-R233 PolarHBondContact O-N 3.05Å; E230-R233 PolarHBondContact O-N 3.33Å; E230-R233 IonicContact OE1-CZ 3.84Å; E230-R233 IonicContact OE1-NH2 2.71Å; E230-R233 PolarHBondContact OE1-NH2 3.26Å; E231-R233 VanDerWaalsContact C-N 3.32Å; E231-R233 PolarHBondContact O-N 2.82Å
234	T	80.3	Confident	81.3	Confident	78 Å²	78	60.4 Å²	60.4	48%	0.479	30%	0.295	S	S	.	.	H	α-helix	trans	-75.4	-31	179.1	46.8	0	0	0	0	113.2	E230 E231 F232 F236	E230-T234 WeakPolarHBondContact O-CB 3.46Å; E230-T234 WeakPolarHBondContact O-CG2 3.48Å; E230-T234 PolarHBondContact O-N 3.47Å; E230-T234 PolarHBondContact O-OG1 2.96Å; E231-T234 PolarHBondContact O-N 2.89Å; E231-T234 PolarHBondContact O-OG1 3.35Å; F232-T234 VanDerWaalsContact C-N 3.33Å; F232-T234 PolarHBondContact O-N 3.23Å; T234-F236 VanDerWaalsContact C-N 3.34Å; T234-F236 PolarHBondContact O-N 3.01Å
235	E	83.4	Confident	82.5	Confident	130 Å²	130	54.2 Å²	54.2	61%	0.607	27%	0.267	S	S	*	.	H	α-helix	trans	-58.8	-39.2	174.5	-171.4	-177.4	178.1	0	0	112.9	E231 F232	E231-E235 PolarHBondContact O-N 3.06Å; F232-E235 PolarHBondContact O-N 3.25Å
236	F	85.4	Confident	83.3	Confident	24 Å²	24	52.8 Å²	52.8	11%	0.105	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	15.3	-172.9	-61.4	-79.7	0	0	0	115.6	S209 W212 K215 F232 T234	S209-F236 PolarHBondContact N-O 3.24Å; S209-F236 PolarHBondContact OG-O 2.73Å; W212-F236 HydrophobicContact CB-CB 3.65Å; W212-F236 HydrophobicContact CB-CG 4.1Å; W212-F236 HydrophobicContact CG-CB 4.24Å; K215-F236 HydrophobicContact CB-CE1 4.13Å; K215-F236 HydrophobicContact CB-CE2 4.18Å; K215-F236 HydrophobicContact CB-CZ 3.76Å; K215-F236 HydrophobicContact CG-CE1 3.66Å; K215-F236 HydrophobicContact CG-CE2 4.5Å; K215-F236 HydrophobicContact CG-CZ 3.61Å; F232-F236 HydrophobicContact CD2-CD2 4.09Å; F232-F236 AromaticContact CD2-CE2 3.72Å; F232-F236 HydrophobicContact CD2-CE2 3.72Å; F232-F236 AromaticContact CE2-CD2 3.77Å; F232-F236 HydrophobicContact CE2-CD2 3.77Å; F232-F236 AromaticContact CE2-CE2 3.27Å; F232-F236 HydrophobicContact CE2-CE2 3.27Å; F232-F236 HydrophobicContact CE2-CZ 4.23Å; F232-F236 AromaticContact CZ-CD2 3.99Å; F232-F236 HydrophobicContact CZ-CD2 3.99Å; F232-F236 AromaticContact CZ-CE2 3.87Å; F232-F236 HydrophobicContact CZ-CE2 3.87Å; F232-F236 WeakPolarHBondContact O-CD2 3.22Å; T234-F236 VanDerWaalsContact C-N 3.34Å; T234-F236 PolarHBondContact O-N 3.01Å
237	K	85.1	Confident	83.9	Confident	67 Å²	67	50.1 Å²	50.1	29%	0.291	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-55.3	145.2	170.8	-80.8	178.1	170.2	-176.7	0	111.7	L208 P239 D314	L208-K237 HydrophobicContact CD2-CG 4.15Å; K237-P239 WeakPolarHBondContact O-CD 3.26Å; K237-D314 IonicContact NZ-OD2 3.54Å; K237-D314 PolarHBondContact NZ-OD2 3.47Å
238	V	86.3	Confident	84.5	Confident	10 Å²	10	50.7 Å²	50.7	6%	0.061	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-74.8	117.6	168	-177.9	0	0	0	0	108.5	A189 T192 I207 L208 Q242	A189-V238 HydrophobicContact CB-CG2 4.4Å; T192-V238 HydrophobicContact CG2-CG1 3.66Å; I207-V238 HydrophobicContact CG2-CB 4.31Å; I207-V238 HydrophobicContact CG2-CG2 4.03Å; I207-V238 PolarHBondContact O-N 3Å; L208-V238 VanDerWaalsContact C-CG2 3.42Å; L208-V238 WeakPolarHBondContact O-CG2 3.37Å; V238-Q242 HydrophobicContact CG1-CB 3.88Å; V238-Q242 HydrophobicContact CG1-CG 4.19Å
239	P	86.3	Confident	84.9	Confident	36 Å²	36	49.6 Å²	49.6	23%	0.234	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-72.4	151.3	-175.5	30.3	-34.9	0	0	0	111.5	K237 F241 Q242	K237-P239 WeakPolarHBondContact O-CD 3.26Å; P239-F241 VanDerWaalsContact C-N 3.28Å; P239-F241 PolarHBondContact O-N 2.78Å; P239-F241 VanDerWaalsContact O-N 3.11Å; P239-Q242 HydrophobicContact CG-CB 4.05Å; P239-Q242 WeakPolarHBondContact O-CB 3.09Å; P239-Q242 PolarHBondContact O-N 3.23Å
240	P	85.3	Confident	85	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.006	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-34.9	-167.9	-27.6	33.7	0	0	0	115.3	H266 R316	P240-H266 HydrophobicContact CG-CB 4.5Å; P240-R316 WeakPolarHBondContact O-CB 3.24Å
241	F	87.8	Confident	85.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	21.8	-178.1	-53.6	-51.3	0	0	0	113	P239 N243 C244 L246 H266 G268 W306 F307 I311	P239-F241 VanDerWaalsContact C-N 3.28Å; P239-F241 PolarHBondContact O-N 2.78Å; P239-F241 VanDerWaalsContact O-N 3.11Å; F241-N243 PolarHBondContact O-N 3.12Å; F241-N243 VanDerWaalsContact O-N 3.14Å; F241-C244 HydrophobicContact CB-CB 4.17Å; F241-C244 VanDerWaalsContact O-CB 3.32Å; F241-C244 WeakPolarHBondContact O-CB 3.45Å; F241-C244 PolarHBondContact O-N 2.93Å; F241-L246 HydrophobicContact CD1-CD1 4.19Å; F241-L246 HydrophobicContact CD2-CD1 4.42Å; F241-L246 HydrophobicContact CE1-CD1 4.33Å; F241-L246 HydrophobicContact CG-CD1 4.24Å; F241-H266 HydrophobicContact CD2-CB 3.66Å; F241-H266 HydrophobicContact CE2-CB 4.02Å; F241-H266 PolarHBondContact N-O 3.08Å; F241-H266 VanDerWaalsContact N-O 3.09Å; F241-G268 VanDerWaalsContact O-CA 3.23Å; F241-G268 WeakPolarHBondContact O-CA 3.26Å; F241-W306 AromaticContact CD1-CH2 3.98Å; F241-W306 HydrophobicContact CD1-CH2 3.98Å; F241-W306 HydrophobicContact CD1-CZ3 4.27Å; F241-W306 AromaticContact CE1-CH2 3.94Å; F241-W306 HydrophobicContact CE1-CH2 3.94Å; F241-W306 AromaticContact CE1-CZ3 3.85Å; F241-W306 HydrophobicContact CE1-CZ3 3.85Å; F241-F307 HydrophobicContact CD2-CE2 4.4Å; F241-F307 HydrophobicContact CE1-CD2 4.05Å; F241-F307 HydrophobicContact CE1-CE2 4.48Å; F241-F307 AromaticContact CE2-CD2 3.86Å; F241-F307 HydrophobicContact CE2-CD2 3.86Å; F241-F307 AromaticContact CE2-CE2 3.5Å; F241-F307 HydrophobicContact CE2-CE2 3.5Å; F241-F307 VanDerWaalsContact CE2-CE2 3.5Å; F241-F307 HydrophobicContact CE2-CZ 4.28Å; F241-F307 AromaticContact CZ-CD2 3.37Å; F241-F307 HydrophobicContact CZ-CD2 3.37Å; F241-F307 AromaticContact CZ-CE2 3.55Å; F241-F307 HydrophobicContact CZ-CE2 3.55Å; F241-F307 HydrophobicContact CZ-CG 4.2Å; F241-F307 HydrophobicContact CZ-CZ 4.49Å; F241-I311 HydrophobicContact CE2-CD1 4.13Å; F241-I311 HydrophobicContact CE2-CG1 3.85Å; F241-I311 HydrophobicContact CZ-CD1 4.36Å; F241-I311 HydrophobicContact CZ-CG1 3.94Å
242	Q	84.7	Confident	85.9	Confident	69 Å²	69	36.9 Å²	36.9	32%	0.322	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	121.3	176.9	-174.3	62.5	60.2	0	0	111.5	T192 V238 P239 C244	T192-Q242 HydrophobicContact CG2-CB 4.04Å; T192-Q242 PolarHBondContact OG1-O 3.47Å; V238-Q242 HydrophobicContact CG1-CB 3.88Å; V238-Q242 HydrophobicContact CG1-CG 4.19Å; P239-Q242 HydrophobicContact CG-CB 4.05Å; P239-Q242 WeakPolarHBondContact O-CB 3.09Å; P239-Q242 PolarHBondContact O-N 3.23Å; Q242-C244 PolarHBondContact O-N 3.34Å
243	N	84.4	Confident	86	Confident	104 Å²	104	42.1 Å²	42.1	56%	0.556	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	15	-176.6	-51.2	-26.4	0	0	0	115.1	F241	F241-N243 PolarHBondContact O-N 3.12Å; F241-N243 VanDerWaalsContact O-N 3.14Å
244	C	86.2	Confident	86.2	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.02	25%	0.252	C	S	.	.			trans	-92.8	133.3	172	-59.1	0	0	0	0	110.9	F241 Q242 L246 R269 H280	F241-C244 HydrophobicContact CB-CB 4.17Å; F241-C244 VanDerWaalsContact O-CB 3.32Å; F241-C244 WeakPolarHBondContact O-CB 3.45Å; F241-C244 PolarHBondContact O-N 2.93Å; Q242-C244 PolarHBondContact O-N 3.34Å; C244-L246 HydrophobicContact CB-CD2 3.9Å; C244-R269 PolarHBondContact O-N 3.02Å; C244-H280 VanDerWaalsContact SG-CE1 3.6Å
245	I	90	Very high	86.5	Confident	34 Å²	34	47.6 Å²	47.6	17%	0.174	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	116.7	164.5	-56.5	-179.9	0	0	0	107.4	R269 A271 Q277 T279 H280	I245-R269 CarbonylContact C-O 3.57Å; I245-R269 WeakPolarHBondContact CA-O 3.22Å; I245-R269 HydrophobicContact CG1-CB 4.3Å; I245-A271 HydrophobicContact CG2-CB 3.75Å; I245-Q277 HydrophobicContact CD1-CB 4.04Å; I245-Q277 WeakPolarHBondContact CD1-O 3.38Å; I245-T279 HydrophobicContact CB-CG2 4.37Å; I245-T279 PolarHBondContact N-OG1 3.27Å; I245-T279 PolarHBondContact O-N 3.04Å; I245-T279 PolarHBondContact O-OG1 3.39Å; I245-H280 PolarHBondContact O-N 3.23Å; I245-H280 VanDerWaalsContact O-N 3.15Å
246	L	91.4	Very high	86.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	149.1	-176.3	-49.9	-171.7	0	0	0	111.5	F241 C244 F248 T263 R269 Y270 A271 H280 W306 F307	F241-L246 HydrophobicContact CD1-CD1 4.19Å; F241-L246 HydrophobicContact CD2-CD1 4.42Å; F241-L246 HydrophobicContact CE1-CD1 4.33Å; F241-L246 HydrophobicContact CG-CD1 4.24Å; C244-L246 HydrophobicContact CB-CD2 3.9Å; L246-F248 HydrophobicContact CB-CE2 4.37Å; L246-F248 HydrophobicContact CB-CZ 3.94Å; L246-F248 HydrophobicContact CD1-CZ 4.08Å; L246-T263 HydrophobicContact CB-CG2 4.35Å; L246-T263 HydrophobicContact CD1-CG2 3.68Å; L246-T263 HydrophobicContact CG-CG2 3.93Å; L246-R269 PolarHBondContact N-O 3.39Å; L246-Y270 CarbonylContact O-C 3.55Å; L246-Y270 WeakPolarHBondContact O-CA 3.19Å; L246-A271 PolarHBondContact O-N 3.06Å; L246-H280 HydrophobicContact CD2-CB 3.75Å; L246-W306 HydrophobicContact CD1-CZ3 4.34Å; L246-W306 HydrophobicContact CD2-CH2 3.88Å; L246-W306 HydrophobicContact CD2-CZ3 3.8Å; L246-F307 HydrophobicContact CD1-CD2 3.78Å; L246-F307 HydrophobicContact CD1-CE2 3.79Å
247	S	89.4	Confident	86.9	Confident	3 Å²	3	47 Å²	47	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.7	165.5	51.5	0	0	0	0	109.9	A271 H280 L281 V282	S247-A271 WeakPolarHBondContact CB-O 3.44Å; S247-H280 PolarHBondContact N-O 2.86Å; S247-H280 PolarHBondContact OG-O 3.48Å; S247-L281 WeakPolarHBondContact OG-CD1 3.4Å; S247-V282 PolarHBondContact O-N 2.97Å
248	F	90.2	Very high	87	Confident	13 Å²	13	46.4 Å²	46.4	6%	0.057	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.3	-170.8	-60.2	-69.8	0	0	0	111.4	L246 F251 K256 M259 E260 T263 V273 V282 F307	L246-F248 HydrophobicContact CB-CE2 4.37Å; L246-F248 HydrophobicContact CB-CZ 3.94Å; L246-F248 HydrophobicContact CD1-CZ 4.08Å; F248-F251 HydrophobicContact CB-CD2 4.03Å; F248-F251 HydrophobicContact CB-CE2 4.35Å; F248-F251 HydrophobicContact CD1-CE2 4.41Å; F248-K256 HydrophobicContact CB-CG 4.37Å; F248-M259 HydrophobicContact CD1-CB 4.11Å; F248-M259 HydrophobicContact CD1-CE 3.67Å; F248-M259 HydrophobicContact CD1-SD 4.11Å; F248-M259 HydrophobicContact CD2-CB 4.45Å; F248-M259 HydrophobicContact CE1-CB 3.84Å; F248-M259 HydrophobicContact CE1-CE 3.7Å; F248-M259 HydrophobicContact CE1-SD 4.44Å; F248-M259 HydrophobicContact CE2-CB 4.18Å; F248-M259 HydrophobicContact CG-CB 4.43Å; F248-M259 HydrophobicContact CZ-CB 3.88Å; F248-E260 HydrophobicContact CD2-CG 3.86Å; F248-E260 HydrophobicContact CE2-CG 3.79Å; F248-T263 WeakPolarHBondContact CZ-OG1 3.2Å; F248-V273 VanDerWaalsContact O-CG2 3.29Å; F248-V273 WeakPolarHBondContact O-CG2 3.34Å; F248-V282 HydrophobicContact CD1-CB 3.85Å; F248-V282 HydrophobicContact CD1-CG1 4.34Å; F248-V282 HydrophobicContact CD1-CG2 4.31Å; F248-V282 HydrophobicContact CE1-CB 4.04Å; F248-V282 HydrophobicContact CE1-CG1 4.47Å; F248-V282 HydrophobicContact CE1-CG2 4.01Å; F248-F307 HydrophobicContact CE1-CD2 4.18Å; F248-F307 HydrophobicContact CE1-CE2 4.13Å; F248-F307 HydrophobicContact CE1-CZ 4.49Å; F248-F307 HydrophobicContact CZ-CD2 4.48Å; F248-F307 HydrophobicContact CZ-CE2 4.06Å; F248-F307 HydrophobicContact CZ-CZ 4.44Å
249	L	87.4	Confident	87.1	Confident	35 Å²	35	46 Å²	46	18%	0.183	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	130.7	-177.3	-176.5	68.7	0	0	0	112.2	V273 L281 V282 V283 E284 V288 L291 P292	L249-V273 HydrophobicContact CB-CG2 4.43Å; L249-V273 HydrophobicContact CD1-CG1 4.43Å; L249-L281 HydrophobicContact CB-CD1 3.96Å; L249-V282 PolarHBondContact N-O 3.19Å; L249-V283 WeakPolarHBondContact O-CA 3.5Å; L249-E284 PolarHBondContact O-N 2.89Å; L249-E284 VanDerWaalsContact O-N 3.08Å; L249-V288 HydrophobicContact CD2-CG1 4.04Å; L249-V288 HydrophobicContact CD2-CG2 4.3Å; L249-V288 HydrophobicContact CG-CG2 3.94Å; L249-L291 HydrophobicContact CD2-CD2 4.19Å; L249-P292 HydrophobicContact CD1-CG 4.41Å; L249-P292 HydrophobicContact CD2-CG 4.08Å
250	G	82.3	Confident	87.4	Confident	31 Å²	31	45.8 Å²	45.8	32%	0.32	24%	0.24	S	C	.	.	S	Bend	trans	102.1	-19.9	176.8	0	0	0	0	0	115.2
251	F	86.6	Confident	87.6	Confident	24 Å²	24	51.7 Å²	51.7	11%	0.105	27%	0.267	C	S	.	.	S	Bend	trans	-76.8	160.9	-177.1	-53	-81.9	0	0	0	113.5	F248 E255 M259 V282 E284 Q304	F248-F251 HydrophobicContact CB-CD2 4.03Å; F248-F251 HydrophobicContact CB-CE2 4.35Å; F248-F251 HydrophobicContact CD1-CE2 4.41Å; F251-E255 HydrophobicContact CB-CB 4.44Å; F251-M259 HydrophobicContact CD1-SD 3.87Å; F251-M259 HydrophobicContact CD2-SD 4.09Å; F251-M259 HydrophobicContact CE1-CE 4.1Å; F251-M259 HydrophobicContact CE1-SD 3.87Å; F251-M259 HydrophobicContact CE2-CE 4.08Å; F251-M259 HydrophobicContact CE2-SD 4.1Å; F251-M259 HydrophobicContact CG-SD 3.98Å; F251-M259 HydrophobicContact CZ-CE 3.78Å; F251-M259 HydrophobicContact CZ-SD 3.99Å; F251-V282 HydrophobicContact CE2-CG1 4.38Å; F251-V282 HydrophobicContact CZ-CG1 4.26Å; F251-E284 HydrophobicContact CD1-CB 4.22Å; F251-E284 HydrophobicContact CE1-CB 3.83Å; F251-E284 HydrophobicContact CE1-CG 4.42Å; F251-E284 HydrophobicContact CZ-CB 3.98Å; F251-Q304 HydrophobicContact CE1-CB 4.16Å; F251-Q304 HydrophobicContact CZ-CB 3.91Å
252	S	86.3	Confident	87.6	Confident	54 Å²	54	53 Å²	53	38%	0.378	27%	0.272	S	S	.	.			trans	-70.3	151.8	167.4	68.1	0	0	0	0	111.5	E254 E255 K256	S252-E254 VanDerWaalsContact C-N 3.26Å; S252-E254 PolarHBondContact O-N 3.42Å; S252-E255 PolarHBondContact O-N 2.93Å; S252-E255 WeakPolarHBondContact OG-CB 3.4Å; S252-E255 WeakPolarHBondContact OG-CG 3.14Å; S252-E255 PolarHBondContact OG-N 2.96Å; S252-E255 PolarHBondContact OG-OE2 3.19Å; S252-K256 WeakPolarHBondContact O-CB 3.21Å; S252-K256 PolarHBondContact O-N 3.41Å
253	E	85.6	Confident	87.9	Confident	120 Å²	120	49.8 Å²	49.8	56%	0.561	26%	0.257	S	S	*	.	H	α-helix	trans	-60.4	-34	179.9	-67.9	-63	139.6	0	0	112.7	E255 K256 V257	E253-E255 VanDerWaalsContact C-N 3.33Å; E253-E255 PolarHBondContact O-N 3.18Å; E253-K256 PolarHBondContact O-N 3.13Å; E253-K256 IonicContact OE1-NZ 3.7Å; E253-K256 PolarHBondContact OE1-NZ 3.08Å; E253-K256 IonicContact OE2-NZ 3.82Å; E253-K256 PolarHBondContact OE2-NZ 3.33Å; E253-V257 WeakPolarHBondContact O-CG2 3.26Å; E253-V257 PolarHBondContact O-N 3.5Å
254	E	85.9	Confident	88.2	Confident	174 Å²	174	52.3 Å²	52.3	81%	0.813	26%	0.264	S	S	*	.	H	α-helix	trans	-62.6	-37.7	174	-66.9	-178	-164.9	0	0	112.3	S252 N258	S252-E254 VanDerWaalsContact C-N 3.26Å; S252-E254 PolarHBondContact O-N 3.42Å; E254-N258 PolarHBondContact O-N 2.97Å
255	E	85.7	Confident	88.2	Confident	68 Å²	68	59 Å²	59	32%	0.318	29%	0.292	S	S	.	.	H	α-helix	trans	-81.1	-36.9	177.5	-71.3	174.3	112.6	0	0	112.6	F251 S252 E253 N258 M259 K543	F251-E255 HydrophobicContact CB-CB 4.44Å; S252-E255 PolarHBondContact O-N 2.93Å; S252-E255 WeakPolarHBondContact OG-CB 3.4Å; S252-E255 WeakPolarHBondContact OG-CG 3.14Å; S252-E255 PolarHBondContact OG-N 2.96Å; S252-E255 PolarHBondContact OG-OE2 3.19Å; E253-E255 VanDerWaalsContact C-N 3.33Å; E253-E255 PolarHBondContact O-N 3.18Å; E255-N258 CarbonylContact O-C 3.56Å; E255-N258 WeakPolarHBondContact O-CA 3.44Å; E255-N258 WeakPolarHBondContact O-CB 3.25Å; E255-N258 PolarHBondContact O-N 3.46Å; E255-N258 VanDerWaalsContact O-N 3.1Å; E255-M259 WeakPolarHBondContact O-CG 3.33Å; E255-M259 PolarHBondContact O-N 3.14Å; E255-K543 IonicContact OE1-NZ 2.85Å; E255-K543 PolarHBondContact OE1-NZ 2.95Å
256	K	88.3	Confident	88.1	Confident	57 Å²	57	58.5 Å²	58.5	25%	0.248	29%	0.289	C	S	.	.	H	α-helix	trans	-58.2	-50.5	174.9	172.6	179.8	152.9	-146.5	0	111	F248 S252 E253 N258 M259 E260	F248-K256 HydrophobicContact CB-CG 4.37Å; S252-K256 WeakPolarHBondContact O-CB 3.21Å; S252-K256 PolarHBondContact O-N 3.41Å; E253-K256 PolarHBondContact O-N 3.13Å; E253-K256 IonicContact OE1-NZ 3.7Å; E253-K256 PolarHBondContact OE1-NZ 3.08Å; E253-K256 IonicContact OE2-NZ 3.82Å; E253-K256 PolarHBondContact OE2-NZ 3.33Å; K256-N258 PolarHBondContact O-N 3.41Å; K256-M259 PolarHBondContact O-N 2.93Å; K256-E260 WeakPolarHBondContact CE-OE1 3.47Å; K256-E260 WeakPolarHBondContact CG-OE1 3.46Å; K256-E260 WeakPolarHBondContact O-CG 3.48Å; K256-E260 PolarHBondContact O-N 2.84Å
257	V	89.1	Confident	87.8	Confident	83 Å²	83	60 Å²	60	50%	0.503	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-36.4	174.3	171.6	0	0	0	0	111.4	E253 E260 E261	E253-V257 WeakPolarHBondContact O-CG2 3.26Å; E253-V257 PolarHBondContact O-N 3.5Å; V257-E260 PolarHBondContact O-N 3.01Å; V257-E261 WeakPolarHBondContact O-CB 3.28Å; V257-E261 PolarHBondContact O-N 3.4Å
258	N	88.2	Confident	87.8	Confident	55 Å²	55	60.1 Å²	60.1	29%	0.294	31%	0.307	S	S	.	.	H	α-helix	trans	-65.5	-38.2	175.4	-153.5	-84.4	0	0	0	112.6	E254 E255 K256 R262	E254-N258 PolarHBondContact O-N 2.97Å; E255-N258 CarbonylContact O-C 3.56Å; E255-N258 WeakPolarHBondContact O-CA 3.44Å; E255-N258 WeakPolarHBondContact O-CB 3.25Å; E255-N258 PolarHBondContact O-N 3.46Å; E255-N258 VanDerWaalsContact O-N 3.1Å; K256-N258 PolarHBondContact O-N 3.41Å; N258-R262 VanDerWaalsContact O-CG 3.24Å; N258-R262 WeakPolarHBondContact O-CG 3.32Å; N258-R262 PolarHBondContact O-N 2.89Å; N258-R262 PolarHBondContact OD1-NE 3.43Å; N258-R262 PolarHBondContact OD1-NH2 3.1Å
259	M	88.4	Confident	87.8	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-73.9	-36.9	176.4	-66	174.6	81.8	0	0	111.6	F248 F251 E255 K256 R262 T263 V282 F307 W308	F248-M259 HydrophobicContact CD1-CB 4.11Å; F248-M259 HydrophobicContact CD1-CE 3.67Å; F248-M259 HydrophobicContact CD1-SD 4.11Å; F248-M259 HydrophobicContact CD2-CB 4.45Å; F248-M259 HydrophobicContact CE1-CB 3.84Å; F248-M259 HydrophobicContact CE1-CE 3.7Å; F248-M259 HydrophobicContact CE1-SD 4.44Å; F248-M259 HydrophobicContact CE2-CB 4.18Å; F248-M259 HydrophobicContact CG-CB 4.43Å; F248-M259 HydrophobicContact CZ-CB 3.88Å; F251-M259 HydrophobicContact CD1-SD 3.87Å; F251-M259 HydrophobicContact CD2-SD 4.09Å; F251-M259 HydrophobicContact CE1-CE 4.1Å; F251-M259 HydrophobicContact CE1-SD 3.87Å; F251-M259 HydrophobicContact CE2-CE 4.08Å; F251-M259 HydrophobicContact CE2-SD 4.1Å; F251-M259 HydrophobicContact CG-SD 3.98Å; F251-M259 HydrophobicContact CZ-CE 3.78Å; F251-M259 HydrophobicContact CZ-SD 3.99Å; E255-M259 WeakPolarHBondContact O-CG 3.33Å; E255-M259 PolarHBondContact O-N 3.14Å; K256-M259 PolarHBondContact O-N 2.93Å; M259-R262 PolarHBondContact O-N 3.03Å; M259-T263 WeakPolarHBondContact O-CB 3.24Å; M259-T263 PolarHBondContact O-N 2.66Å; M259-T263 PolarHBondContact O-OG1 3.1Å; M259-V282 HydrophobicContact CE-CG1 4.1Å; M259-F307 HydrophobicContact CB-CE1 3.98Å; M259-F307 HydrophobicContact CB-CZ 3.97Å; M259-F307 HydrophobicContact CE-CB 4.46Å; M259-F307 HydrophobicContact CE-CD1 3.45Å; M259-F307 VanDerWaalsContact CE-CD1 3.45Å; M259-F307 HydrophobicContact CE-CE1 3.77Å; M259-F307 HydrophobicContact CE-CG 3.98Å; M259-F307 HydrophobicContact CG-CD1 4.45Å; M259-F307 HydrophobicContact CG-CE1 3.81Å; M259-F307 HydrophobicContact CG-CZ 4.33Å; M259-F307 WeakPolarHBondContact O-CZ 3.31Å; M259-W308 HydrophobicContact CE-CZ2 4.12Å; M259-W308 HydrophobicContact CG-CH2 3.91Å; M259-W308 HydrophobicContact CG-CZ2 3.87Å; M259-W308 HydrophobicContact SD-CZ2 4.11Å
260	E	91.3	Very high	87.9	Confident	31 Å²	31	72.3 Å²	72.3	15%	0.145	35%	0.351	C	S	.	.	H	α-helix	trans	-63.7	-47.4	173.8	-70.4	171.2	-177.7	0	0	111.7	F248 K256 V257 R262 T263 F264 Y270	F248-E260 HydrophobicContact CD2-CG 3.86Å; F248-E260 HydrophobicContact CE2-CG 3.79Å; K256-E260 WeakPolarHBondContact CE-OE1 3.47Å; K256-E260 WeakPolarHBondContact CG-OE1 3.46Å; K256-E260 WeakPolarHBondContact O-CG 3.48Å; K256-E260 PolarHBondContact O-N 2.84Å; V257-E260 PolarHBondContact O-N 3.01Å; E260-R262 VanDerWaalsContact C-N 3.34Å; E260-R262 PolarHBondContact O-N 2.96Å; E260-T263 WeakPolarHBondContact O-CB 3.48Å; E260-T263 PolarHBondContact O-N 3.48Å; E260-T263 VanDerWaalsContact O-N 3.14Å; E260-F264 PolarHBondContact O-N 3.26Å; E260-Y270 HydrophobicContact CB-CD1 3.92Å; E260-Y270 HydrophobicContact CB-CD2 4.18Å; E260-Y270 HydrophobicContact CB-CE1 3.98Å; E260-Y270 HydrophobicContact CB-CE2 4.21Å; E260-Y270 HydrophobicContact CB-CG 4.04Å; E260-Y270 HydrophobicContact CG-CD1 4.17Å; E260-Y270 HydrophobicContact CG-CD2 3.64Å; E260-Y270 HydrophobicContact CG-CE1 4.5Å; E260-Y270 HydrophobicContact CG-CE2 3.98Å; E260-Y270 HydrophobicContact CG-CG 3.74Å
261	E	89.9	Confident	88.2	Confident	125 Å²	125	71.8 Å²	71.8	58%	0.584	34%	0.344	S	S	*	.	H	α-helix	trans	-57.4	-46.2	174.6	-168.9	-160.1	152	0	0	111.3	V257 T263 F264 K265	V257-E261 WeakPolarHBondContact O-CB 3.28Å; V257-E261 PolarHBondContact O-N 3.4Å; E261-T263 VanDerWaalsContact C-N 3.34Å; E261-T263 PolarHBondContact O-N 2.88Å; E261-F264 PolarHBondContact O-N 3.02Å; E261-K265 WeakPolarHBondContact O-CB 3.41Å; E261-K265 PolarHBondContact O-N 3.14Å
262	R	88.5	Confident	88	Confident	29 Å²	29	78.8 Å²	78.8	11%	0.109	38%	0.377	C	S	.	.	H	α-helix	trans	-65.1	-36.7	176.8	-71.9	174.6	-158.4	-90.8	0.8	112.5	N258 M259 E260 K265 H266 F307 I311 H539	N258-R262 VanDerWaalsContact O-CG 3.24Å; N258-R262 WeakPolarHBondContact O-CG 3.32Å; N258-R262 PolarHBondContact O-N 2.89Å; N258-R262 PolarHBondContact OD1-NE 3.43Å; N258-R262 PolarHBondContact OD1-NH2 3.1Å; M259-R262 PolarHBondContact O-N 3.03Å; E260-R262 VanDerWaalsContact C-N 3.34Å; E260-R262 PolarHBondContact O-N 2.96Å; R262-K265 PolarHBondContact O-N 3.15Å; R262-H266 WeakPolarHBondContact O-CB 3.27Å; R262-H266 PolarHBondContact O-CD2 3.31Å; R262-H266 VanDerWaalsContact O-CD2 3.28Å; R262-H266 PolarHBondContact O-N 2.85Å; R262-F307 HydrophobicContact CB-CZ 4.11Å; R262-I311 HydrophobicContact CB-CD1 4.17Å; R262-H539 PolarHBondContact NH2-CD2 3.14Å; R262-H539 PolarHBondContact NH2-NE2 3.13Å
263	T	91.6	Very high	87.7	Confident	0 Å²	0	79 Å²	79	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-60.7	-49.6	177.7	-60.9	0	0	0	0	110.6	L246 F248 M259 E260 E261 H266 G267 G268 R269 F307	L246-T263 HydrophobicContact CB-CG2 4.35Å; L246-T263 HydrophobicContact CD1-CG2 3.68Å; L246-T263 HydrophobicContact CG-CG2 3.93Å; F248-T263 WeakPolarHBondContact CZ-OG1 3.2Å; M259-T263 WeakPolarHBondContact O-CB 3.24Å; M259-T263 PolarHBondContact O-N 2.66Å; M259-T263 PolarHBondContact O-OG1 3.1Å; E260-T263 WeakPolarHBondContact O-CB 3.48Å; E260-T263 PolarHBondContact O-N 3.48Å; E260-T263 VanDerWaalsContact O-N 3.14Å; E261-T263 VanDerWaalsContact C-N 3.34Å; E261-T263 PolarHBondContact O-N 2.88Å; T263-H266 CarbonylContact O-C 3.53Å; T263-H266 PolarHBondContact O-N 3.39Å; T263-G267 PolarHBondContact O-N 2.9Å; T263-G268 WeakPolarHBondContact O-CA 3.33Å; T263-G268 PolarHBondContact O-N 3.37Å; T263-R269 WeakPolarHBondContact CG2-O 3.34Å; T263-F307 WeakPolarHBondContact OG1-CE2 3.47Å
264	F	89.3	Confident	86.9	Confident	158 Å²	158	75.6 Å²	75.6	69%	0.693	37%	0.372	S	S	*	.	H	α-helix	trans	-60.9	-46.5	175.9	-174.9	-99.1	0	0	0	111.6	E260 E261 H266 G267	E260-F264 PolarHBondContact O-N 3.26Å; E261-F264 PolarHBondContact O-N 3.02Å; F264-H266 VanDerWaalsContact C-N 3.25Å; F264-H266 PolarHBondContact O-N 2.76Å; F264-G267 PolarHBondContact O-N 3.07Å; F264-G267 VanDerWaalsContact O-N 3.13Å
265	K	87.3	Confident	86.6	Confident	143 Å²	143	70.5 Å²	70.5	62%	0.622	35%	0.351	S	S	*	.	H	α-helix	trans	-61.5	-29.3	178	-173.1	171.2	-176.5	169.7	0	113.9	E261 R262	E261-K265 WeakPolarHBondContact O-CB 3.41Å; E261-K265 PolarHBondContact O-N 3.14Å; R262-K265 PolarHBondContact O-N 3.15Å
266	H	87.7	Confident	86.2	Confident	23 Å²	23	74.4 Å²	74.4	11%	0.106	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	29.2	176.8	-72.2	-80.6	0	0	0	113	P240 F241 R262 T263 F264 G268	P240-H266 HydrophobicContact CG-CB 4.5Å; F241-H266 HydrophobicContact CD2-CB 3.66Å; F241-H266 HydrophobicContact CE2-CB 4.02Å; F241-H266 PolarHBondContact N-O 3.08Å; F241-H266 VanDerWaalsContact N-O 3.09Å; R262-H266 WeakPolarHBondContact O-CB 3.27Å; R262-H266 PolarHBondContact O-CD2 3.31Å; R262-H266 VanDerWaalsContact O-CD2 3.28Å; R262-H266 PolarHBondContact O-N 2.85Å; T263-H266 CarbonylContact O-C 3.53Å; T263-H266 PolarHBondContact O-N 3.39Å; F264-H266 VanDerWaalsContact C-N 3.25Å; F264-H266 PolarHBondContact O-N 2.76Å; H266-G268 VanDerWaalsContact C-N 3.32Å; H266-G268 PolarHBondContact O-N 3.08Å
267	G	85.1	Confident	85.8	Confident	32 Å²	32	78.2 Å²	78.2	33%	0.33	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	8.4	165.8	0	0	0	0	0	116.2	T263 F264	T263-G267 PolarHBondContact O-N 2.9Å; F264-G267 PolarHBondContact O-N 3.07Å; F264-G267 VanDerWaalsContact O-N 3.13Å
268	G	88.7	Confident	85.5	Confident	6 Å²	6	74.7 Å²	74.7	6%	0.062	37%	0.371	C	S	.	.			trans	-95.1	177.8	175.3	0	0	0	0	0	113.1	F241 T263 H266	F241-G268 VanDerWaalsContact O-CA 3.23Å; F241-G268 WeakPolarHBondContact O-CA 3.26Å; T263-G268 WeakPolarHBondContact O-CA 3.33Å; T263-G268 PolarHBondContact O-N 3.37Å; H266-G268 VanDerWaalsContact C-N 3.32Å; H266-G268 PolarHBondContact O-N 3.08Å
269	R	89.9	Confident	85.4	Confident	182 Å²	182	74 Å²	74	69%	0.687	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	163.5	166.1	-62.6	-178.1	-179.7	-169.8	-1.3	109.2	C244 I245 L246 T263	C244-R269 PolarHBondContact O-N 3.02Å; I245-R269 CarbonylContact C-O 3.57Å; I245-R269 WeakPolarHBondContact CA-O 3.22Å; I245-R269 HydrophobicContact CG1-CB 4.3Å; L246-R269 PolarHBondContact N-O 3.39Å; T263-R269 WeakPolarHBondContact CG2-O 3.34Å
270	Y	90.6	Very high	85.3	Confident	121 Å²	121	74 Å²	74	48%	0.475	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	158	171.7	62.9	-85.8	0	0	0	110.7	L246 E260	L246-Y270 CarbonylContact O-C 3.55Å; L246-Y270 WeakPolarHBondContact O-CA 3.19Å; E260-Y270 HydrophobicContact CB-CD1 3.92Å; E260-Y270 HydrophobicContact CB-CD2 4.18Å; E260-Y270 HydrophobicContact CB-CE1 3.98Å; E260-Y270 HydrophobicContact CB-CE2 4.21Å; E260-Y270 HydrophobicContact CB-CG 4.04Å; E260-Y270 HydrophobicContact CG-CD1 4.17Å; E260-Y270 HydrophobicContact CG-CD2 3.64Å; E260-Y270 HydrophobicContact CG-CE1 4.5Å; E260-Y270 HydrophobicContact CG-CE2 3.98Å; E260-Y270 HydrophobicContact CG-CG 3.74Å
271	A	87.9	Confident	85.2	Confident	21 Å²	21	72.9 Å²	72.9	17%	0.174	36%	0.364	C	S	.	.			trans	-147.4	165.9	177.2	0	0	0	0	0	110.1	I245 L246 S247 D275	I245-A271 HydrophobicContact CG2-CB 3.75Å; L246-A271 PolarHBondContact O-N 3.06Å; S247-A271 WeakPolarHBondContact CB-O 3.44Å; A271-D275 HydrophobicContact CB-CB 4.12Å
272	E	83	Confident	85.2	Confident	171 Å²	171	67 Å²	67	80%	0.799	34%	0.337	S	S	*	.			trans	-70.8	154.5	179.2	-62.9	-168.7	162.8	0	0	112.1	G274 D275	E272-G274 PolarHBondContact O-N 3Å; E272-D275 PolarHBondContact O-N 3.35Å
273	V	79.7	Confident	85	Confident	57 Å²	57	65.6 Å²	65.6	35%	0.345	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	105	-177.2	-179.9	0	0	0	0	109.9	F248 L249 L281 P292	F248-V273 VanDerWaalsContact O-CG2 3.29Å; F248-V273 WeakPolarHBondContact O-CG2 3.34Å; L249-V273 HydrophobicContact CB-CG2 4.43Å; L249-V273 HydrophobicContact CD1-CG1 4.43Å; V273-L281 HydrophobicContact CG1-CD1 4.18Å; V273-L281 HydrophobicContact CG2-CD1 4.37Å; V273-P292 HydrophobicContact CG1-CG 4.42Å
274	G	69.9	Low	84.6	Confident	49 Å²	49	67.4 Å²	67.4	51%	0.505	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	124.7	-3.7	179.8	0	0	0	0	0	115.2	E272 D276	E272-G274 PolarHBondContact O-N 3Å; G274-D276 PolarHBondContact O-N 3.33Å
275	D	79.6	Confident	83.8	Confident	68 Å²	68	63.7 Å²	63.7	36%	0.364	33%	0.325	S	S	.	.			trans	-67.1	127.5	172.9	-176.9	-7.2	0	0	0	111.5	A271 E272 Q277 C278	A271-D275 HydrophobicContact CB-CB 4.12Å; E272-D275 PolarHBondContact O-N 3.35Å; D275-Q277 PolarHBondContact O-N 2.95Å; D275-Q277 VanDerWaalsContact O-N 3.11Å; D275-Q277 WeakPolarHBondContact OD1-CB 3.44Å; D275-Q277 PolarHBondContact OD1-N 3.4Å; D275-C278 VanDerWaalsContact O-CB 3.22Å; D275-C278 WeakPolarHBondContact O-CB 3.49Å; D275-C278 PolarHBondContact O-N 3.2Å; D275-C278 PolarHBondContact O-SG 3.39Å
276	D	76.5	Confident	82.8	Confident	150 Å²	150	61.2 Å²	61.2	80%	0.802	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-20.3	174.8	-82.6	-41	0	0	0	113.7	G274 C278	G274-D276 PolarHBondContact O-N 3.33Å; D276-C278 VanDerWaalsContact C-N 3.32Å
277	Q	78.8	Confident	81.8	Confident	137 Å²	137	63.4 Å²	63.4	64%	0.64	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-8.4	174.6	-56.5	-167.3	29.3	0	0	113.4	I245 D275 T279	I245-Q277 HydrophobicContact CD1-CB 4.04Å; I245-Q277 WeakPolarHBondContact CD1-O 3.38Å; D275-Q277 PolarHBondContact O-N 2.95Å; D275-Q277 VanDerWaalsContact O-N 3.11Å; D275-Q277 WeakPolarHBondContact OD1-CB 3.44Å; D275-Q277 PolarHBondContact OD1-N 3.4Å; Q277-T279 PolarHBondContact O-N 2.86Å
278	C	83.5	Confident	80.9	Confident	8 Å²	8	62.7 Å²	62.7	5%	0.054	33%	0.326	C	S	.	.			trans	-61.4	127.9	176.3	-76.6	0	0	0	0	111.8	D275 D276 L299	D275-C278 VanDerWaalsContact O-CB 3.22Å; D275-C278 WeakPolarHBondContact O-CB 3.49Å; D275-C278 PolarHBondContact O-N 3.2Å; D275-C278 PolarHBondContact O-SG 3.39Å; D276-C278 VanDerWaalsContact C-N 3.32Å; C278-L299 HydrophobicContact CB-CD1 3.79Å; C278-L299 WeakPolarHBondContact O-CD1 3.49Å
279	T	85.4	Confident	79.3	Confident	41 Å²	41	71 Å²	71	25%	0.252	36%	0.36	S	S	.	.	S	Bend	trans	-95.1	-31.1	175.4	60.8	0	0	0	0	112.2	I245 Q277 F300	I245-T279 HydrophobicContact CB-CG2 4.37Å; I245-T279 PolarHBondContact N-OG1 3.27Å; I245-T279 PolarHBondContact O-N 3.04Å; I245-T279 PolarHBondContact O-OG1 3.39Å; Q277-T279 PolarHBondContact O-N 2.86Å; T279-F300 PolarHBondContact O-N 3.15Å
280	H	88.2	Confident	77.7	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	143.3	177.3	-48.7	73.1	0	0	0	110.2	C244 I245 L246 S247 F300 W306 R316 E319	C244-H280 VanDerWaalsContact SG-CE1 3.6Å; I245-H280 PolarHBondContact O-N 3.23Å; I245-H280 VanDerWaalsContact O-N 3.15Å; L246-H280 HydrophobicContact CD2-CB 3.75Å; S247-H280 PolarHBondContact N-O 2.86Å; S247-H280 PolarHBondContact OG-O 3.48Å; H280-F300 CarbonylContact C-O 3.45Å; H280-F300 VanDerWaalsContact CA-O 3.23Å; H280-F300 WeakPolarHBondContact CA-O 3.32Å; H280-F300 AromaticContact NE2-CD2 3.91Å; H280-W306 HydrophobicContact CB-CH2 4.42Å; H280-W306 HydrophobicContact CB-CZ3 4.39Å; H280-W306 AromaticContact CD2-CH2 3.56Å; H280-W306 AromaticContact CD2-CZ2 3.55Å; H280-W306 AromaticContact CG-CH2 3.77Å; H280-W306 AromaticContact NE2-CH2 3.78Å; H280-W306 AromaticContact NE2-CZ2 3.56Å; H280-R316 PolarHBondContact CE1-NH2 2.95Å; H280-R316 VanDerWaalsContact CE1-NH2 3.25Å; H280-R316 PolarHBondContact NE2-NH2 3.27Å; H280-E319 IonicContact NE2-OE1 3.58Å
281	L	88.3	Confident	76.4	Confident	9 Å²	9	65.3 Å²	65.3	5%	0.047	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	111.4	169.5	173.2	62.2	0	0	0	107.5	S247 L249 V273 V283 L291 L299 F300 V301 V302	S247-L281 WeakPolarHBondContact OG-CD1 3.4Å; L249-L281 HydrophobicContact CB-CD1 3.96Å; V273-L281 HydrophobicContact CG1-CD1 4.18Å; V273-L281 HydrophobicContact CG2-CD1 4.37Å; L281-V283 HydrophobicContact CD2-CG2 4.36Å; L281-V283 HydrophobicContact CG-CG2 3.92Å; L281-L291 HydrophobicContact CD2-CD2 4.37Å; L281-L299 HydrophobicContact CB-CD1 4.12Å; L281-L299 HydrophobicContact CB-CD2 4.26Å; L281-L299 HydrophobicContact CB-CG 4.34Å; L281-F300 PolarHBondContact N-O 2.66Å; L281-V301 HydrophobicContact CD2-CG1 4.22Å; L281-V301 HydrophobicContact CD2-CG2 4.4Å; L281-V301 HydrophobicContact CG-CG1 4.42Å; L281-V301 WeakPolarHBondContact O-CA 3.44Å; L281-V302 PolarHBondContact O-N 3.35Å
282	V	88.9	Confident	75	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.5	-179.9	-175.1	0	0	0	0	108.7	S247 F248 L249 F251 M259 V302 Q304 W306 F307	S247-V282 PolarHBondContact O-N 2.97Å; F248-V282 HydrophobicContact CD1-CB 3.85Å; F248-V282 HydrophobicContact CD1-CG1 4.34Å; F248-V282 HydrophobicContact CD1-CG2 4.31Å; F248-V282 HydrophobicContact CE1-CB 4.04Å; F248-V282 HydrophobicContact CE1-CG1 4.47Å; F248-V282 HydrophobicContact CE1-CG2 4.01Å; L249-V282 PolarHBondContact N-O 3.19Å; F251-V282 HydrophobicContact CE2-CG1 4.38Å; F251-V282 HydrophobicContact CZ-CG1 4.26Å; M259-V282 HydrophobicContact CE-CG1 4.1Å; V282-V302 WeakPolarHBondContact CA-O 3.38Å; V282-V302 HydrophobicContact CG2-CG2 4.08Å; V282-Q304 HydrophobicContact CG1-CB 4.49Å; V282-W306 HydrophobicContact CG2-CE3 4.3Å; V282-W306 HydrophobicContact CG2-CZ3 4.37Å; V282-F307 HydrophobicContact CG1-CB 4.02Å; V282-F307 HydrophobicContact CG2-CB 4.38Å
283	V	86.1	Confident	73.7	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.3	-170.7	-173.5	0	0	0	0	111.3	L249 L281 V288 L291 V301 V302 Q304 Y324	L249-V283 WeakPolarHBondContact O-CA 3.5Å; L281-V283 HydrophobicContact CD2-CG2 4.36Å; L281-V283 HydrophobicContact CG-CG2 3.92Å; V283-V288 HydrophobicContact CG1-CB 3.78Å; V283-V288 HydrophobicContact CG1-CG1 4.14Å; V283-V288 HydrophobicContact CG1-CG2 3.81Å; V283-L291 HydrophobicContact CG2-CD2 4.18Å; V283-V301 HydrophobicContact CG2-CG1 3.73Å; V283-V302 PolarHBondContact N-O 2.76Å; V283-Q304 PolarHBondContact O-N 3.29Å; V283-Q304 VanDerWaalsContact O-N 3.1Å; V283-Y324 HydrophobicContact CG1-CD2 4.42Å; V283-Y324 HydrophobicContact CG1-CE2 4.38Å
284	E	82.3	Confident	72.5	Confident	39 Å²	39	66.1 Å²	66.1	18%	0.182	37%	0.372	C	S	.	.			trans	-85.9	108.2	164.6	-169.2	-179.1	-150.2	0	0	111.6	L249 F251 N286 S287 V288	L249-E284 PolarHBondContact O-N 2.89Å; L249-E284 VanDerWaalsContact O-N 3.08Å; F251-E284 HydrophobicContact CD1-CB 4.22Å; F251-E284 HydrophobicContact CE1-CB 3.83Å; F251-E284 HydrophobicContact CE1-CG 4.42Å; F251-E284 HydrophobicContact CZ-CB 3.98Å; E284-N286 HydrophobicContact CG-CB 4.41Å; E284-N286 PolarHBondContact O-N 3.3Å; E284-N286 VanDerWaalsContact O-N 3.11Å; E284-S287 PolarHBondContact O-N 3.43Å; E284-S287 VanDerWaalsContact O-N 3.09Å; E284-S287 WeakPolarHBondContact OE2-CB 3.37Å; E284-S287 PolarHBondContact OE2-OG 3.03Å; E284-V288 PolarHBondContact O-N 3.34Å
285	E	72.5	Confident	72	Confident	79 Å²	79	67.6 Å²	67.6	37%	0.369	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25	-177.8	-57.4	-169.7	106.1	0	0	114.8	K303 Y324	E285-K303 HydrophobicContact CG-CG 4.14Å; E285-K303 WeakPolarHBondContact OE1-CD 3.38Å; E285-K303 VanDerWaalsContact OE1-CE 3.23Å; E285-K303 WeakPolarHBondContact OE1-CE 3.37Å; E285-K303 IonicContact OE1-NZ 3.22Å; E285-K303 PolarHBondContact OE1-NZ 3.4Å; E285-K303 IonicContact OE2-NZ 2.97Å; E285-Y324 HydrophobicContact CG-CD2 4.17Å; E285-Y324 HydrophobicContact CG-CE2 4.21Å
286	N	67	Low	71.1	Confident	92 Å²	92	66.9 Å²	66.9	49%	0.492	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-19.4	-179.2	-68	-54.1	0	0	0	113.4	E284 R553	E284-N286 HydrophobicContact CG-CB 4.41Å; E284-N286 PolarHBondContact O-N 3.3Å; E284-N286 VanDerWaalsContact O-N 3.11Å; N286-R553 PolarHBondContact OD1-NH2 2.85Å
287	S	65.5	Low	70.3	Confident	69 Å²	69	69.6 Å²	69.6	48%	0.483	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-26.1	-167.3	-63.4	0	0	0	0	112.9	E284	E284-S287 PolarHBondContact O-N 3.43Å; E284-S287 VanDerWaalsContact O-N 3.09Å; E284-S287 WeakPolarHBondContact OE2-CB 3.37Å; E284-S287 PolarHBondContact OE2-OG 3.03Å
288	V	66.1	Low	69.7	Low	17 Å²	17	71.7 Å²	71.7	10%	0.103	39%	0.388	C	S	.	.			trans	-106.3	124.4	-176.7	-175.7	0	0	0	0	110.5	L249 V283 E284 D290 L291	L249-V288 HydrophobicContact CD2-CG1 4.04Å; L249-V288 HydrophobicContact CD2-CG2 4.3Å; L249-V288 HydrophobicContact CG-CG2 3.94Å; V283-V288 HydrophobicContact CG1-CB 3.78Å; V283-V288 HydrophobicContact CG1-CG1 4.14Å; V283-V288 HydrophobicContact CG1-CG2 3.81Å; E284-V288 PolarHBondContact O-N 3.34Å; V288-D290 WeakPolarHBondContact CG1-O 3.47Å; V288-L291 HydrophobicContact CG1-CD2 4.39Å
289	K	56.7	Low	69.6	Low	181 Å²	181	72.8 Å²	72.8	79%	0.787	39%	0.393	S	S	*	.	S	Bend	trans	-103.9	-34.2	177.3	-66.2	-173.7	178.7	-178.7	0	113.5
290	D	55.7	Low	69.5	Low	126 Å²	126	74.5 Å²	74.5	67%	0.674	40%	0.397	S	S	*	.	S	Bend	trans	-130.1	141.1	177	-66.9	-71.9	0	0	0	109.1	V288	V288-D290 WeakPolarHBondContact CG1-O 3.47Å
291	L	63.1	Low	69.4	Low	57 Å²	57	75.3 Å²	75.3	30%	0.298	40%	0.402	S	S	.	.			trans	-84.5	128.5	176.1	-67.9	170.8	0	0	0	109.4	L249 L281 V283 V288 V293 V301 Y324	L249-L291 HydrophobicContact CD2-CD2 4.19Å; L281-L291 HydrophobicContact CD2-CD2 4.37Å; V283-L291 HydrophobicContact CG2-CD2 4.18Å; V288-L291 HydrophobicContact CG1-CD2 4.39Å; L291-V293 PolarHBondContact O-N 3.32Å; L291-V301 HydrophobicContact CD1-CG1 4.15Å; L291-V301 HydrophobicContact CD2-CG1 4.23Å; L291-Y324 HydrophobicContact CD1-CD1 4.09Å; L291-Y324 HydrophobicContact CD1-CE1 4.18Å; L291-Y324 HydrophobicContact CD2-CE1 4.48Å; L291-Y324 HydrophobicContact CG-CE1 4.29Å
292	P	57.6	Low	69.4	Low	91 Å²	91	74.9 Å²	74.9	59%	0.591	40%	0.4	S	S	*	.	S	Bend	trans	-75.3	-7.8	-175.2	29	-34.7	0	0	0	114.4	L249 V273	L249-P292 HydrophobicContact CD1-CG 4.41Å; L249-P292 HydrophobicContact CD2-CG 4.08Å; V273-P292 HydrophobicContact CG1-CG 4.42Å
293	V	56.3	Low	69.4	Low	63 Å²	63	77.3 Å²	77.3	38%	0.382	41%	0.41	S	S	.	.	S	Bend	trans	-134.3	137.1	-174.9	-173.1	0	0	0	0	109.4	L291	L291-V293 PolarHBondContact O-N 3.32Å
294	S	54.5	Low	69.4	Low	111 Å²	111	78.3 Å²	78.3	78%	0.776	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-69.3	120.7	169.2	-67.1	0	0	0	0	109.1	S296	S294-S296 PolarHBondContact O-N 3.13Å
295	P	60.4	Low	69.6	Low	80 Å²	80	79.3 Å²	79.3	52%	0.519	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-64.8	126	-173.5	25.3	-33.7	0	0	0	111	V301	P295-V301 HydrophobicContact CB-CG2 4.12Å
296	S	59.3	Low	70.5	Confident	53 Å²	53	75.6 Å²	75.6	37%	0.371	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-64.5	152.9	170.6	72.8	0	0	0	0	109.8	S294 K298 L299	S294-S296 PolarHBondContact O-N 3.13Å; S296-K298 PolarHBondContact O-N 3.38Å; S296-L299 PolarHBondContact O-N 3.44Å
297	Q	59.6	Low	71.6	Confident	208 Å²	208	71.2 Å²	71.2	97%	0.972	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	5.3	-175	-70	-177.4	-19.6	0	0	115.5
298	K	66.1	Low	72.7	Confident	181 Å²	181	68.2 Å²	68.2	79%	0.787	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-4	179	-62.6	175.3	-174.8	166.3	0	113.6	S296	S296-K298 PolarHBondContact O-N 3.38Å
299	L	82.3	Confident	73.6	Confident	31 Å²	31	67.7 Å²	67.7	16%	0.162	36%	0.355	C	S	.	.			trans	-88.9	117.7	-178.1	179.9	65.6	0	0	0	110.8	C278 L281 S296 V301	C278-L299 HydrophobicContact CB-CD1 3.79Å; C278-L299 WeakPolarHBondContact O-CD1 3.49Å; L281-L299 HydrophobicContact CB-CD1 4.12Å; L281-L299 HydrophobicContact CB-CD2 4.26Å; L281-L299 HydrophobicContact CB-CG 4.34Å; S296-L299 PolarHBondContact O-N 3.44Å; L299-V301 PolarHBondContact O-N 2.68Å
300	F	82.9	Confident	75.2	Confident	76 Å²	76	59 Å²	59	33%	0.333	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	105.6	172.3	-68	-77.1	0	0	0	110.8	T279 H280 L281 V302 E319 L323	T279-F300 PolarHBondContact O-N 3.15Å; H280-F300 CarbonylContact C-O 3.45Å; H280-F300 VanDerWaalsContact CA-O 3.23Å; H280-F300 WeakPolarHBondContact CA-O 3.32Å; H280-F300 AromaticContact NE2-CD2 3.91Å; L281-F300 PolarHBondContact N-O 2.66Å; F300-V302 HydrophobicContact CB-CG1 4.21Å; F300-V302 PolarHBondContact O-N 3.3Å; F300-E319 HydrophobicContact CB-CG 4.3Å; F300-E319 HydrophobicContact CD1-CB 3.9Å; F300-E319 HydrophobicContact CD1-CG 4.06Å; F300-E319 HydrophobicContact CD2-CG 4.36Å; F300-E319 HydrophobicContact CE1-CB 4.33Å; F300-E319 HydrophobicContact CG-CB 4.29Å; F300-E319 HydrophobicContact CG-CG 3.99Å; F300-L323 HydrophobicContact CD1-CD2 4.36Å
301	V	86.4	Confident	76.7	Confident	19 Å²	19	53 Å²	53	12%	0.115	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	114.8	170.6	-167.1	0	0	0	0	108.7	L281 V283 L291 P295 L299 Y324	L281-V301 HydrophobicContact CD2-CG1 4.22Å; L281-V301 HydrophobicContact CD2-CG2 4.4Å; L281-V301 HydrophobicContact CG-CG1 4.42Å; L281-V301 WeakPolarHBondContact O-CA 3.44Å; V283-V301 HydrophobicContact CG2-CG1 3.73Å; L291-V301 HydrophobicContact CD1-CG1 4.15Å; L291-V301 HydrophobicContact CD2-CG1 4.23Å; P295-V301 HydrophobicContact CB-CG2 4.12Å; L299-V301 PolarHBondContact O-N 2.68Å; V301-Y324 HydrophobicContact CG1-CD1 4.33Å; V301-Y324 HydrophobicContact CG1-CG 4.33Å; V301-Y324 PolarHBondContact O-N 2.93Å
302	V	88.4	Confident	77.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.7	-170.1	-67.2	0	0	0	0	112.6	L281 V282 V283 F300 W306 E319 Y322 L323	L281-V302 PolarHBondContact O-N 3.35Å; V282-V302 WeakPolarHBondContact CA-O 3.38Å; V282-V302 HydrophobicContact CG2-CG2 4.08Å; V283-V302 PolarHBondContact N-O 2.76Å; F300-V302 HydrophobicContact CB-CG1 4.21Å; F300-V302 PolarHBondContact O-N 3.3Å; V302-W306 HydrophobicContact CB-CB 3.99Å; V302-W306 HydrophobicContact CB-CG 4.2Å; V302-W306 HydrophobicContact CG1-CG 4.36Å; V302-W306 HydrophobicContact CG2-CB 4.11Å; V302-W306 HydrophobicContact CG2-CD2 4Å; V302-W306 HydrophobicContact CG2-CE3 3.82Å; V302-W306 HydrophobicContact CG2-CG 4.14Å; V302-E319 HydrophobicContact CG1-CB 4.36Å; V302-Y322 CarbonylContact C-O 3.57Å; V302-Y322 VanDerWaalsContact CA-O 3.24Å; V302-Y322 WeakPolarHBondContact CA-O 3.12Å; V302-L323 HydrophobicContact CG1-CD2 4.41Å
303	K	88.1	Confident	78.8	Confident	50 Å²	50	50.4 Å²	50.4	22%	0.217	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	152.1	173.2	-56.3	175	-175.6	-120.7	0	110.6	E285 E305 W306 Y322 L323	E285-K303 HydrophobicContact CG-CG 4.14Å; E285-K303 WeakPolarHBondContact OE1-CD 3.38Å; E285-K303 VanDerWaalsContact OE1-CE 3.23Å; E285-K303 WeakPolarHBondContact OE1-CE 3.37Å; E285-K303 IonicContact OE1-NZ 3.22Å; E285-K303 PolarHBondContact OE1-NZ 3.4Å; E285-K303 IonicContact OE2-NZ 2.97Å; K303-E305 PolarHBondContact O-N 3.04Å; K303-W306 WeakPolarHBondContact O-CB 3.49Å; K303-W306 PolarHBondContact O-N 3.38Å; K303-Y322 WeakPolarHBondContact CG-O 3.28Å; K303-Y322 PolarHBondContact N-O 2.94Å; K303-L323 WeakPolarHBondContact CE-O 3.49Å
304	Q	87.7	Confident	80	Confident	22 Å²	22	49.4 Å²	49.4	10%	0.103	26%	0.257	C	S	.	.	H	α-helix	trans	-52.6	-27.5	175.2	68.7	171.5	-40.7	0	0	114.6	F251 V282 V283 W306 F307 W308	F251-Q304 HydrophobicContact CE1-CB 4.16Å; F251-Q304 HydrophobicContact CZ-CB 3.91Å; V282-Q304 HydrophobicContact CG1-CB 4.49Å; V283-Q304 PolarHBondContact O-N 3.29Å; V283-Q304 VanDerWaalsContact O-N 3.1Å; Q304-W306 PolarHBondContact O-N 2.94Å; Q304-F307 PolarHBondContact O-N 2.96Å; Q304-W308 PolarHBondContact O-N 3.08Å
305	E	86	Confident	81.4	Confident	60 Å²	60	44.7 Å²	44.7	28%	0.28	23%	0.225	S	C	.	.	H	α-helix	trans	-58.7	-31.1	175.8	-62.4	-170.1	157.2	0	0	113.6	K303 G309 Y322	K303-E305 PolarHBondContact O-N 3.04Å; E305-G309 WeakPolarHBondContact O-CA 3.22Å; E305-G309 PolarHBondContact O-N 3.13Å; E305-Y322 HydrophobicContact CB-CD1 3.66Å; E305-Y322 HydrophobicContact CB-CE1 3.77Å
306	W	90.4	Very high	82.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.5	-43.6	176.7	177.4	83	0	0	0	111.9	F241 L246 H280 V282 V302 K303 Q304 S310 R316 A317 E319 Y322	F241-W306 AromaticContact CD1-CH2 3.98Å; F241-W306 HydrophobicContact CD1-CH2 3.98Å; F241-W306 HydrophobicContact CD1-CZ3 4.27Å; F241-W306 AromaticContact CE1-CH2 3.94Å; F241-W306 HydrophobicContact CE1-CH2 3.94Å; F241-W306 AromaticContact CE1-CZ3 3.85Å; F241-W306 HydrophobicContact CE1-CZ3 3.85Å; L246-W306 HydrophobicContact CD1-CZ3 4.34Å; L246-W306 HydrophobicContact CD2-CH2 3.88Å; L246-W306 HydrophobicContact CD2-CZ3 3.8Å; H280-W306 HydrophobicContact CB-CH2 4.42Å; H280-W306 HydrophobicContact CB-CZ3 4.39Å; H280-W306 AromaticContact CD2-CH2 3.56Å; H280-W306 AromaticContact CD2-CZ2 3.55Å; H280-W306 AromaticContact CG-CH2 3.77Å; H280-W306 AromaticContact NE2-CH2 3.78Å; H280-W306 AromaticContact NE2-CZ2 3.56Å; V282-W306 HydrophobicContact CG2-CE3 4.3Å; V282-W306 HydrophobicContact CG2-CZ3 4.37Å; V302-W306 HydrophobicContact CB-CB 3.99Å; V302-W306 HydrophobicContact CB-CG 4.2Å; V302-W306 HydrophobicContact CG1-CG 4.36Å; V302-W306 HydrophobicContact CG2-CB 4.11Å; V302-W306 HydrophobicContact CG2-CD2 4Å; V302-W306 HydrophobicContact CG2-CE3 3.82Å; V302-W306 HydrophobicContact CG2-CG 4.14Å; K303-W306 WeakPolarHBondContact O-CB 3.49Å; K303-W306 PolarHBondContact O-N 3.38Å; Q304-W306 PolarHBondContact O-N 2.94Å; W306-S310 WeakPolarHBondContact O-CB 3.48Å; W306-S310 PolarHBondContact O-N 3.25Å; W306-S310 PolarHBondContact O-OG 3.21Å; W306-R316 HydrophobicContact CZ2-CG 4.29Å; W306-A317 HydrophobicContact CG-CB 4.49Å; W306-A317 PolarHBondContact NE1-O 2.71Å; W306-E319 HydrophobicContact CZ2-CG 4.48Å; W306-Y322 HydrophobicContact CB-CD2 4.21Å; W306-Y322 HydrophobicContact CB-CG 4.02Å
307	F	90.9	Very high	83.7	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.2	-52.2	-178.5	176.9	-100.7	0	0	0	110.6	F241 L246 F248 M259 R262 T263 V282 Q304 S310 I311	F241-F307 HydrophobicContact CD2-CE2 4.4Å; F241-F307 HydrophobicContact CE1-CD2 4.05Å; F241-F307 HydrophobicContact CE1-CE2 4.48Å; F241-F307 AromaticContact CE2-CD2 3.86Å; F241-F307 HydrophobicContact CE2-CD2 3.86Å; F241-F307 AromaticContact CE2-CE2 3.5Å; F241-F307 HydrophobicContact CE2-CE2 3.5Å; F241-F307 VanDerWaalsContact CE2-CE2 3.5Å; F241-F307 HydrophobicContact CE2-CZ 4.28Å; F241-F307 AromaticContact CZ-CD2 3.37Å; F241-F307 HydrophobicContact CZ-CD2 3.37Å; F241-F307 AromaticContact CZ-CE2 3.55Å; F241-F307 HydrophobicContact CZ-CE2 3.55Å; F241-F307 HydrophobicContact CZ-CG 4.2Å; F241-F307 HydrophobicContact CZ-CZ 4.49Å; L246-F307 HydrophobicContact CD1-CD2 3.78Å; L246-F307 HydrophobicContact CD1-CE2 3.79Å; F248-F307 HydrophobicContact CE1-CD2 4.18Å; F248-F307 HydrophobicContact CE1-CE2 4.13Å; F248-F307 HydrophobicContact CE1-CZ 4.49Å; F248-F307 HydrophobicContact CZ-CD2 4.48Å; F248-F307 HydrophobicContact CZ-CE2 4.06Å; F248-F307 HydrophobicContact CZ-CZ 4.44Å; M259-F307 HydrophobicContact CB-CE1 3.98Å; M259-F307 HydrophobicContact CB-CZ 3.97Å; M259-F307 HydrophobicContact CE-CB 4.46Å; M259-F307 HydrophobicContact CE-CD1 3.45Å; M259-F307 VanDerWaalsContact CE-CD1 3.45Å; M259-F307 HydrophobicContact CE-CE1 3.77Å; M259-F307 HydrophobicContact CE-CG 3.98Å; M259-F307 HydrophobicContact CG-CD1 4.45Å; M259-F307 HydrophobicContact CG-CE1 3.81Å; M259-F307 HydrophobicContact CG-CZ 4.33Å; M259-F307 WeakPolarHBondContact O-CZ 3.31Å; R262-F307 HydrophobicContact CB-CZ 4.11Å; T263-F307 WeakPolarHBondContact OG1-CE2 3.47Å; V282-F307 HydrophobicContact CG1-CB 4.02Å; V282-F307 HydrophobicContact CG2-CB 4.38Å; Q304-F307 PolarHBondContact O-N 2.96Å; F307-S310 PolarHBondContact O-N 2.99Å; F307-I311 HydrophobicContact CD1-CD1 4.18Å; F307-I311 HydrophobicContact CE1-CD1 3.66Å; F307-I311 HydrophobicContact CE2-CD1 4.3Å; F307-I311 HydrophobicContact CZ-CD1 3.73Å; F307-I311 PolarHBondContact O-N 2.85Å
308	W	89.2	Confident	84.8	Confident	6 Å²	6	30.1 Å²	30.1	2%	0.023	15%	0.15	C	C	.	.	H	α-helix	trans	-65	-41.3	177.5	-59.5	121.5	0	0	0	111.6	M259 Q304 S310 I311 Q312 H539 A540 K543 I544	M259-W308 HydrophobicContact CE-CZ2 4.12Å; M259-W308 HydrophobicContact CG-CH2 3.91Å; M259-W308 HydrophobicContact CG-CZ2 3.87Å; M259-W308 HydrophobicContact SD-CZ2 4.11Å; Q304-W308 PolarHBondContact O-N 3.08Å; W308-S310 VanDerWaalsContact C-N 3.32Å; W308-S310 PolarHBondContact O-N 2.89Å; W308-I311 HydrophobicContact CE3-CD1 4.16Å; W308-I311 HydrophobicContact CZ3-CD1 4.25Å; W308-I311 PolarHBondContact O-N 2.98Å; W308-I311 VanDerWaalsContact O-N 3.13Å; W308-Q312 PolarHBondContact O-N 3.42Å; W308-H539 AromaticContact CH2-CD2 3.74Å; W308-H539 AromaticContact CH2-NE2 3.37Å; W308-H539 WeakPolarHBondContact CH2-NE2 3.45Å; W308-H539 AromaticContact CZ3-CD2 3.42Å; W308-H539 VanDerWaalsContact CZ3-CD2 3.42Å; W308-H539 WeakPolarHBondContact CZ3-CD2 3.31Å; W308-H539 AromaticContact CZ3-NE2 3.61Å; W308-A540 HydrophobicContact CB-CB 4.19Å; W308-A540 HydrophobicContact CE3-CB 4Å; W308-A540 WeakPolarHBondContact O-CB 3.48Å; W308-K543 HydrophobicContact CD2-CB 3.97Å; W308-K543 HydrophobicContact CD2-CG 4.23Å; W308-K543 HydrophobicContact CG-CB 3.91Å; W308-K543 HydrophobicContact CZ2-CD 4.48Å; W308-K543 HydrophobicContact CZ2-CG 4.15Å; W308-I544 HydrophobicContact CB-CD1 3.92Å; W308-I544 HydrophobicContact CB-CG1 3.62Å
309	G	85.1	Confident	85.6	Confident	6 Å²	6	22.7 Å²	22.7	6%	0.062	12%	0.118	C	C	.	.	H	α-helix	trans	-59.1	-42.8	177.7	0	0	0	0	0	112.3	E305 I311 Q312 M313	E305-G309 WeakPolarHBondContact O-CA 3.22Å; E305-G309 PolarHBondContact O-N 3.13Å; G309-I311 VanDerWaalsContact C-N 3.33Å; G309-I311 PolarHBondContact O-N 3.37Å; G309-Q312 PolarHBondContact O-N 3.49Å; G309-M313 WeakPolarHBondContact O-CB 3.28Å; G309-M313 WeakPolarHBondContact O-CE 3.31Å; G309-M313 WeakPolarHBondContact O-CG 3.44Å; G309-M313 PolarHBondContact O-N 2.74Å
310	S	88.9	Confident	85.5	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.8	-38.8	175.8	-60.3	0	0	0	0	112.7	W306 F307 W308 D314 A315 A317	W306-S310 WeakPolarHBondContact O-CB 3.48Å; W306-S310 PolarHBondContact O-N 3.25Å; W306-S310 PolarHBondContact O-OG 3.21Å; F307-S310 PolarHBondContact O-N 2.99Å; W308-S310 VanDerWaalsContact C-N 3.32Å; W308-S310 PolarHBondContact O-N 2.89Å; S310-D314 PolarHBondContact O-N 3.35Å; S310-A315 CarbonylContact C-O 3.58Å; S310-A315 VanDerWaalsContact CA-O 3.26Å; S310-A315 WeakPolarHBondContact CA-O 3.35Å; S310-A315 PolarHBondContact O-N 3.47Å; S310-A315 VanDerWaalsContact O-O 3.07Å; S310-A317 VanDerWaalsContact OG-CB 3.28Å; S310-A317 WeakPolarHBondContact OG-CB 3.32Å; S310-A317 PolarHBondContact OG-N 3Å
311	I	87.3	Confident	85.2	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-69.3	-47.4	174.8	-65.9	171.7	0	0	0	110.5	F241 R262 F307 W308 G309 M313 D314 A536 R537 A540	F241-I311 HydrophobicContact CE2-CD1 4.13Å; F241-I311 HydrophobicContact CE2-CG1 3.85Å; F241-I311 HydrophobicContact CZ-CD1 4.36Å; F241-I311 HydrophobicContact CZ-CG1 3.94Å; R262-I311 HydrophobicContact CB-CD1 4.17Å; F307-I311 HydrophobicContact CD1-CD1 4.18Å; F307-I311 HydrophobicContact CE1-CD1 3.66Å; F307-I311 HydrophobicContact CE2-CD1 4.3Å; F307-I311 HydrophobicContact CZ-CD1 3.73Å; F307-I311 PolarHBondContact O-N 2.85Å; W308-I311 HydrophobicContact CE3-CD1 4.16Å; W308-I311 HydrophobicContact CZ3-CD1 4.25Å; W308-I311 PolarHBondContact O-N 2.98Å; W308-I311 VanDerWaalsContact O-N 3.13Å; G309-I311 VanDerWaalsContact C-N 3.33Å; G309-I311 PolarHBondContact O-N 3.37Å; I311-M313 PolarHBondContact O-N 2.77Å; I311-D314 PolarHBondContact O-N 2.85Å; I311-A536 HydrophobicContact CG2-CB 4.15Å; I311-R537 WeakPolarHBondContact O-CG 3.27Å; I311-A540 HydrophobicContact CB-CB 3.95Å; I311-A540 HydrophobicContact CG2-CB 3.79Å
312	Q	84.1	Confident	85	Confident	44 Å²	44	30 Å²	30	21%	0.206	16%	0.159	C	C	.	.	H	α-helix	trans	-60.4	-44.3	-177.6	-171.6	-166.9	-57.1	0	0	112.2	W308 G309 D314 I459 R537 A540 F541 I544	W308-Q312 PolarHBondContact O-N 3.42Å; G309-Q312 PolarHBondContact O-N 3.49Å; Q312-D314 PolarHBondContact O-N 3.05Å; Q312-I459 HydrophobicContact CG-CD1 3.82Å; Q312-R537 PolarHBondContact O-NE 3.33Å; Q312-R537 PolarHBondContact O-NH2 2.86Å; Q312-A540 HydrophobicContact CB-CB 4.19Å; Q312-F541 HydrophobicContact CG-CB 4.2Å; Q312-I544 HydrophobicContact CB-CD1 4.05Å
313	M	80.3	Confident	84.7	Confident	48 Å²	48	33.6 Å²	33.6	24%	0.236	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-10.2	-179.1	-66.3	-173.3	-64.3	0	0	113.9	G309 I311 A315 A317 V455	G309-M313 WeakPolarHBondContact O-CB 3.28Å; G309-M313 WeakPolarHBondContact O-CE 3.31Å; G309-M313 WeakPolarHBondContact O-CG 3.44Å; G309-M313 PolarHBondContact O-N 2.74Å; I311-M313 PolarHBondContact O-N 2.77Å; M313-A315 PolarHBondContact O-N 3.01Å; M313-A317 HydrophobicContact CE-CB 3.64Å; M313-V455 HydrophobicContact CB-CG1 4.15Å
314	D	82	Confident	84.2	Confident	43 Å²	43	33 Å²	33	23%	0.23	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	26.9	-170.8	-158.4	45.2	0	0	0	112.8	K237 S310 I311 Q312	K237-D314 IonicContact NZ-OD2 3.54Å; K237-D314 PolarHBondContact NZ-OD2 3.47Å; S310-D314 PolarHBondContact O-N 3.35Å; I311-D314 PolarHBondContact O-N 2.85Å; Q312-D314 PolarHBondContact O-N 3.05Å
315	A	83.4	Confident	83.3	Confident	12 Å²	12	39.7 Å²	39.7	10%	0.099	21%	0.205	C	C	.	.	S	Bend	trans	-158.2	152.8	-177.7	0	0	0	0	0	110.6	V201 S310 M313 A317	V201-A315 HydrophobicContact CG1-CB 4.08Å; V201-A315 HydrophobicContact CG2-CB 3.88Å; S310-A315 CarbonylContact C-O 3.58Å; S310-A315 VanDerWaalsContact CA-O 3.26Å; S310-A315 WeakPolarHBondContact CA-O 3.35Å; S310-A315 PolarHBondContact O-N 3.47Å; S310-A315 VanDerWaalsContact O-O 3.07Å; M313-A315 PolarHBondContact O-N 3.01Å; A315-A317 PolarHBondContact O-N 2.72Å
316	R	85.5	Confident	81.9	Confident	10 Å²	10	42.4 Å²	42.4	4%	0.038	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-63.4	123.8	-176.3	-170.4	-180	168.3	163.5	-0.8	111.8	T192 H193 Y197 P240 H280 W306 E319	T192-R316 PolarHBondContact OG1-NH1 2.85Å; H193-R316 PolarHBondContact CD2-NH1 2.88Å; H193-R316 PolarHBondContact CE1-NH1 3.25Å; H193-R316 VanDerWaalsContact CE1-NH1 3.33Å; H193-R316 PolarHBondContact CE1-NH2 2.76Å; H193-R316 PolarHBondContact NE2-NH1 3.38Å; Y197-R316 HydrophobicContact CE1-CB 3.88Å; Y197-R316 WeakPolarHBondContact OH-CB 3.46Å; Y197-R316 PolarHBondContact OH-N 3.24Å; P240-R316 WeakPolarHBondContact O-CB 3.24Å; H280-R316 PolarHBondContact CE1-NH2 2.95Å; H280-R316 VanDerWaalsContact CE1-NH2 3.25Å; H280-R316 PolarHBondContact NE2-NH2 3.27Å; W306-R316 HydrophobicContact CZ2-CG 4.29Å; R316-E319 IonicContact CZ-OE1 2.72Å; R316-E319 IonicContact NE-OE1 3.78Å; R316-E319 PolarHBondContact NE-OE1 3.29Å; R316-E319 IonicContact NH2-OE1 3.78Å; R316-E319 PolarHBondContact NH2-OE1 2.77Å
317	A	83.4	Confident	79.6	Confident	3 Å²	3	49.1 Å²	49.1	3%	0.025	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-71.7	148.4	174.5	0	0	0	0	0	111.5	W306 S310 M313 A315 E319 Y322	W306-A317 HydrophobicContact CG-CB 4.49Å; W306-A317 PolarHBondContact NE1-O 2.71Å; S310-A317 VanDerWaalsContact OG-CB 3.28Å; S310-A317 WeakPolarHBondContact OG-CB 3.32Å; S310-A317 PolarHBondContact OG-N 3Å; M313-A317 HydrophobicContact CE-CB 3.64Å; A315-A317 PolarHBondContact O-N 2.72Å; A317-E319 PolarHBondContact O-N 2.74Å; A317-Y322 HydrophobicContact CB-CD2 4.42Å; A317-Y322 HydrophobicContact CB-CE2 4.06Å
318	G	81.9	Confident	77	Confident	22 Å²	22	54.9 Å²	54.9	23%	0.227	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-74.2	117.1	178.4	0	0	0	0	0	112	S320 M321 Y322	G318-S320 PolarHBondContact O-N 2.99Å; G318-M321 PolarHBondContact O-N 3.24Å; G318-Y322 WeakPolarHBondContact O-CD2 3.26Å
319	E	83.6	Confident	74.3	Confident	25 Å²	25	58.8 Å²	58.8	12%	0.117	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-56.3	-38.9	-172.4	-62.2	68.5	-153.1	0	0	112.2	H280 F300 V302 W306 R316 A317 M321 Y322 L323	H280-E319 IonicContact NE2-OE1 3.58Å; F300-E319 HydrophobicContact CB-CG 4.3Å; F300-E319 HydrophobicContact CD1-CB 3.9Å; F300-E319 HydrophobicContact CD1-CG 4.06Å; F300-E319 HydrophobicContact CD2-CG 4.36Å; F300-E319 HydrophobicContact CE1-CB 4.33Å; F300-E319 HydrophobicContact CG-CB 4.29Å; F300-E319 HydrophobicContact CG-CG 3.99Å; V302-E319 HydrophobicContact CG1-CB 4.36Å; W306-E319 HydrophobicContact CZ2-CG 4.48Å; R316-E319 IonicContact CZ-OE1 2.72Å; R316-E319 IonicContact NE-OE1 3.78Å; R316-E319 PolarHBondContact NE-OE1 3.29Å; R316-E319 IonicContact NH2-OE1 3.78Å; R316-E319 PolarHBondContact NH2-OE1 2.77Å; A317-E319 PolarHBondContact O-N 2.74Å; E319-M321 PolarHBondContact O-N 3.21Å; E319-M321 VanDerWaalsContact O-N 3.08Å; E319-Y322 CarbonylContact O-C 3.6Å; E319-Y322 PolarHBondContact O-N 2.99Å; E319-L323 PolarHBondContact O-N 3.4Å; E319-L323 VanDerWaalsContact O-N 3.14Å
320	S	79.6	Confident	71.9	Confident	74 Å²	74	64.3 Å²	64.3	52%	0.517	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-59.4	-21.3	-177	64.1	0	0	0	0	114.7	G318	G318-S320 PolarHBondContact O-N 2.99Å
321	M	76.8	Confident	69.3	Low	144 Å²	144	71.1 Å²	71.1	71%	0.709	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-85.5	-13.2	177.3	-61	-57	-57.8	0	0	112.9	G318 E319	G318-M321 PolarHBondContact O-N 3.24Å; E319-M321 PolarHBondContact O-N 3.21Å; E319-M321 VanDerWaalsContact O-N 3.08Å
322	Y	81.8	Confident	66.5	Low	61 Å²	61	80.2 Å²	80.2	24%	0.239	43%	0.432	C	S	.	.	S	Bend	trans	-133.7	21.2	-169.7	-58.3	-76.7	0	0	0	112.3	V302 K303 E305 W306 A317 G318 E319	V302-Y322 CarbonylContact C-O 3.57Å; V302-Y322 VanDerWaalsContact CA-O 3.24Å; V302-Y322 WeakPolarHBondContact CA-O 3.12Å; K303-Y322 WeakPolarHBondContact CG-O 3.28Å; K303-Y322 PolarHBondContact N-O 2.94Å; E305-Y322 HydrophobicContact CB-CD1 3.66Å; E305-Y322 HydrophobicContact CB-CE1 3.77Å; W306-Y322 HydrophobicContact CB-CD2 4.21Å; W306-Y322 HydrophobicContact CB-CG 4.02Å; A317-Y322 HydrophobicContact CB-CD2 4.42Å; A317-Y322 HydrophobicContact CB-CE2 4.06Å; G318-Y322 WeakPolarHBondContact O-CD2 3.26Å; E319-Y322 CarbonylContact O-C 3.6Å; E319-Y322 PolarHBondContact O-N 2.99Å
323	L	83.4	Confident	64.1	Low	75 Å²	75	87.1 Å²	87.1	39%	0.393	46%	0.462	S	S	.	.	B	Isolated β-bridge	trans	-60.4	143.6	173.6	-67	175.8	0	0	0	110.1	F300 V302 K303 E319 E325	F300-L323 HydrophobicContact CD1-CD2 4.36Å; V302-L323 HydrophobicContact CG1-CD2 4.41Å; K303-L323 WeakPolarHBondContact CE-O 3.49Å; E319-L323 PolarHBondContact O-N 3.4Å; E319-L323 VanDerWaalsContact O-N 3.14Å; L323-E325 PolarHBondContact O-N 3.25Å
324	Y	75.8	Confident	61.9	Low	38 Å²	38	94.9 Å²	94.9	15%	0.149	49%	0.494	C	S	.	.			trans	-78.9	102.7	172.1	-179.9	-99.4	0	0	0	109.8	V283 E285 L291 V301	V283-Y324 HydrophobicContact CG1-CD2 4.42Å; V283-Y324 HydrophobicContact CG1-CE2 4.38Å; E285-Y324 HydrophobicContact CG-CD2 4.17Å; E285-Y324 HydrophobicContact CG-CE2 4.21Å; L291-Y324 HydrophobicContact CD1-CD1 4.09Å; L291-Y324 HydrophobicContact CD1-CE1 4.18Å; L291-Y324 HydrophobicContact CD2-CE1 4.48Å; L291-Y324 HydrophobicContact CG-CE1 4.29Å; V301-Y324 HydrophobicContact CG1-CD1 4.33Å; V301-Y324 HydrophobicContact CG1-CG 4.33Å; V301-Y324 PolarHBondContact O-N 2.93Å
325	E	69.1	Low	59.5	Low	162 Å²	162	97 Å²	97	76%	0.757	52%	0.518	S	S	*	.			trans	-83.2	126.9	168.9	-66.2	-171.7	150.1	0	0	109.8	L323 N327	L323-E325 PolarHBondContact O-N 3.25Å; E325-N327 PolarHBondContact O-N 2.67Å
326	K	57.1	Low	57	Low	117 Å²	117	103.1 Å²	103.1	51%	0.509	55%	0.554	S	S	.	*			trans	-67.3	124	175	-177.2	173.4	178.2	-101.8	0	109	D328	K326-D328 IonicContact NZ-OD1 3.36Å; K326-D328 PolarHBondContact NZ-OD1 2.99Å; K326-D328 IonicContact NZ-OD2 2.74Å; K326-D328 PolarHBondContact NZ-OD2 2.89Å; K326-D328 PolarHBondContact O-N 3.07Å
327	N	42.3	Very low	54.3	Low	141 Å²	141	107 Å²	107	75%	0.754	58%	0.582	S	S	*	*			trans	-79.9	59.9	-171.8	-157.8	-3.3	0	0	0	112.5	E325 S329	E325-N327 PolarHBondContact O-N 2.67Å; N327-S329 VanDerWaalsContact C-N 3.26Å; N327-S329 PolarHBondContact O-N 2.67Å
328	D	37.1	Very low	51.7	Low	121 Å²	121	115.2 Å²	115.2	65%	0.647	63%	0.625	S	S	*	*			trans	-72.7	76	-179.5	-84.3	-29.4	0	0	0	111.8	K326	K326-D328 IonicContact NZ-OD1 3.36Å; K326-D328 PolarHBondContact NZ-OD1 2.99Å; K326-D328 IonicContact NZ-OD2 2.74Å; K326-D328 PolarHBondContact NZ-OD2 2.89Å; K326-D328 PolarHBondContact O-N 3.07Å
329	S	30.9	Very low	49.1	Very low	88 Å²	88	122.2 Å²	122.2	62%	0.615	66%	0.656	S	S	*	*			trans	-93.8	140.8	166.8	51.7	0	0	0	0	110.7	N327	N327-S329 VanDerWaalsContact C-N 3.26Å; N327-S329 PolarHBondContact O-N 2.67Å
330	P	34.9	Very low	46.3	Very low	123 Å²	123	126.4 Å²	126.4	80%	0.799	69%	0.688	S	S	*	*			trans	-69	145.6	-170.8	26.8	-34.7	0	0	0	112.8	M332	P330-M332 PolarHBondContact O-N 3Å
331	T	34.6	Very low	43.8	Very low	142 Å²	142	130.5 Å²	130.5	87%	0.871	70%	0.703	S	S	*	*			trans	-67.6	94.6	-171.8	37.4	0	0	0	0	113.7	K333	T331-K333 VanDerWaalsContact C-N 3.3Å; T331-K333 PolarHBondContact O-N 3.28Å
332	M	29.7	Very low	41.7	Very low	191 Å²	191	129.8 Å²	129.8	94%	0.941	71%	0.707	S	S	*	*			trans	-66.3	90.1	163.4	-79.1	-133.4	-75.4	0	0	111.1	P330	P330-M332 PolarHBondContact O-N 3Å
333	K	32.1	Very low	39.1	Very low	189 Å²	189	133.3 Å²	133.3	82%	0.822	74%	0.735	S	S	*	*			trans	19.6	113	158.3	-65	177.3	-179.2	175.2	0	116.9	T331 A335	T331-K333 VanDerWaalsContact C-N 3.3Å; T331-K333 PolarHBondContact O-N 3.28Å; K333-A335 PolarHBondContact O-N 3.15Å
334	K	35.8	Very low	36.4	Very low	212 Å²	212	135.2 Å²	135.2	92%	0.922	75%	0.752	S	S	*	*			trans	-47.9	104.4	161.9	-71.8	175.2	173.8	175.6	0	111
335	A	31.3	Very low	34.5	Very low	88 Å²	88	140.4 Å²	140.4	73%	0.727	79%	0.788	S	S	*	*			trans	-141.5	-5.6	176.6	0	0	0	0	0	115	K333	K333-A335 PolarHBondContact O-N 3.15Å
336	V	30.6	Very low	32.9	Very low	140 Å²	140	136.7 Å²	136.7	85%	0.848	78%	0.78	S	S	*	*	S	Bend	trans	-135.8	70.7	177	-166.6	0	0	0	0	110.5
337	S	27.9	Very low	31.9	Very low	92 Å²	92	137.9 Å²	137.9	64%	0.643	79%	0.792	S	S	*	*			trans	-151	45.4	177.5	-60.1	0	0	0	0	112.9
338	L	29.2	Very low	31.8	Very low	174 Å²	174	140.5 Å²	140.5	91%	0.911	79%	0.791	S	S	*	*	S	Bend	trans	-134.5	31.3	171.2	-74.5	180	0	0	0	113
339	L	27.2	Very low	31.9	Very low	170 Å²	170	143.2 Å²	143.2	89%	0.89	80%	0.797	S	S	*	*			trans	-132.6	45.8	166	-93.5	114.6	0	0	0	111.7	L341	L339-L341 VanDerWaalsContact C-N 3.34Å; L339-L341 PolarHBondContact O-N 2.98Å; L339-L341 VanDerWaalsContact O-N 3.09Å
340	S	26	Very low	32.5	Very low	112 Å²	112	148.2 Å²	148.2	78%	0.783	80%	0.803	S	S	*	*			trans	-79.2	78.8	169.1	-60	0	0	0	0	110.6
341	L	25.9	Very low	32.9	Very low	161 Å²	161	151 Å²	151	84%	0.843	80%	0.797	S	S	*	*			trans	-90.1	118.2	162.6	-83.5	174.4	0	0	0	110	L339	L339-L341 VanDerWaalsContact C-N 3.34Å; L339-L341 PolarHBondContact O-N 2.98Å; L339-L341 VanDerWaalsContact O-N 3.09Å
342	T	33.6	Very low	33.2	Very low	129 Å²	129	152.9 Å²	152.9	79%	0.791	79%	0.788	S	S	*	*			trans	-59.2	136	-172.9	52.1	0	0	0	0	114.1
343	T	26	Very low	33.6	Very low	134 Å²	134	149.8 Å²	149.8	82%	0.822	78%	0.775	S	S	*	*			trans	-123.7	117.2	157.5	57.8	0	0	0	0	110.1
344	P	28.3	Very low	34.2	Very low	115 Å²	115	149.8 Å²	149.8	75%	0.747	77%	0.77	S	S	*	*			trans	-71.8	157.6	-174.4	-20.5	32.9	0	0	0	115	S346	P344-S346 PolarHBondContact O-N 2.83Å
345	T	34.7	Very low	34.3	Very low	148 Å²	148	143.5 Å²	143.5	91%	0.908	75%	0.746	S	S	*	*			trans	-56.2	121.8	163.2	43.7	0	0	0	0	110.7
346	S	35.3	Very low	35	Very low	83 Å²	83	143 Å²	143	58%	0.58	73%	0.734	S	S	*	*			trans	-153.4	120.2	173.4	-168.7	0	0	0	0	113.2	P344 R348	P344-S346 PolarHBondContact O-N 2.83Å; S346-R348 PolarHBondContact O-N 2.74Å
347	N	36.9	Very low	35.4	Very low	142 Å²	142	141.5 Å²	141.5	76%	0.759	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-7.2	176.6	-73.3	-45.2	0	0	0	114.2	K349 R350 R351	N347-K349 VanDerWaalsContact C-N 3.31Å; N347-K349 PolarHBondContact O-N 3Å; N347-R350 PolarHBondContact O-N 3.43Å; N347-R351 PolarHBondContact O-N 3.22Å
348	R	39.8	Very low	36.1	Very low	196 Å²	196	139.7 Å²	139.7	74%	0.74	71%	0.711	S	S	*	*	H	α-helix	trans	-64.2	-28.2	-178.8	-147.5	174.3	-166.2	-177.8	4.7	113.8	S346 R352	S346-R348 PolarHBondContact O-N 2.74Å; R348-R352 PolarHBondContact O-N 2.88Å
349	K	38.8	Very low	36.7	Very low	179 Å²	179	137.4 Å²	137.4	78%	0.778	70%	0.696	S	S	*	*	H	α-helix	trans	-75.2	-38.2	175.6	-88.3	-173	174.3	-177.6	0	113.3	N347 R351 R352 L353	N347-K349 VanDerWaalsContact C-N 3.31Å; N347-K349 PolarHBondContact O-N 3Å; K349-R351 PolarHBondContact O-N 2.82Å; K349-R352 PolarHBondContact O-N 3.04Å; K349-L353 PolarHBondContact O-N 3.27Å
350	R	44.4	Very low	37.2	Very low	193 Å²	193	135 Å²	135	73%	0.728	68%	0.684	S	S	*	*	H	α-helix	trans	-64.2	-29.6	176	-172.7	178.1	-83.2	-167.6	-3.6	111.7	N347 R354	N347-R350 PolarHBondContact O-N 3.43Å; R350-R354 PolarHBondContact O-N 3.19Å
351	R	43.4	Very low	37.8	Very low	182 Å²	182	134.6 Å²	134.6	69%	0.687	68%	0.676	S	S	*	*	H	α-helix	trans	-67.5	-55.1	169.9	-163.1	174.6	-179.5	158.7	1.4	111.6	N347 K349 L353 R354 D355	N347-R351 PolarHBondContact O-N 3.22Å; K349-R351 PolarHBondContact O-N 2.82Å; R351-L353 VanDerWaalsContact C-N 3.28Å; R351-L353 PolarHBondContact O-N 3.44Å; R351-R354 CarbonylContact O-C 3.58Å; R351-R354 WeakPolarHBondContact O-CA 3.34Å; R351-R354 WeakPolarHBondContact O-CB 3.36Å; R351-R354 PolarHBondContact O-N 2.88Å; R351-D355 PolarHBondContact O-N 2.94Å
352	R	40.3	Very low	38.3	Very low	180 Å²	180	135.4 Å²	135.4	68%	0.679	67%	0.673	S	S	*	*	H	α-helix	trans	-53.4	-40.8	177.6	-78.8	-173.1	173.8	177.7	-2.5	113.7	R348 K349 R354 D355 T356	R348-R352 PolarHBondContact O-N 2.88Å; K349-R352 PolarHBondContact O-N 3.04Å; R352-R354 VanDerWaalsContact C-N 3.35Å; R352-R354 PolarHBondContact O-N 3.28Å; R352-D355 PolarHBondContact O-N 3.31Å; R352-T356 PolarHBondContact O-N 3.3Å; R352-T356 PolarHBondContact O-OG1 3.36Å; R352-T356 VanDerWaalsContact O-OG1 3.05Å
353	L	38.9	Very low	38.2	Very low	126 Å²	126	136.7 Å²	136.7	66%	0.66	67%	0.67	S	S	*	*	H	α-helix	trans	-65.7	-37.1	178	-151.1	83.6	0	0	0	112.4	K349 R351 L357	K349-L353 PolarHBondContact O-N 3.27Å; R351-L353 VanDerWaalsContact C-N 3.28Å; R351-L353 PolarHBondContact O-N 3.44Å; L353-L357 WeakPolarHBondContact O-CB 3.35Å; L353-L357 PolarHBondContact O-N 2.96Å; L353-L357 VanDerWaalsContact O-N 3.08Å
354	R	43.8	Very low	38.7	Very low	190 Å²	190	135.2 Å²	135.2	72%	0.717	66%	0.661	S	S	*	*	H	α-helix	trans	-66.3	-42	170.4	-86.6	-176.2	170.2	168	-2.5	112.1	R350 R351 R352 L357 A358	R350-R354 PolarHBondContact O-N 3.19Å; R351-R354 CarbonylContact O-C 3.58Å; R351-R354 WeakPolarHBondContact O-CA 3.34Å; R351-R354 WeakPolarHBondContact O-CB 3.36Å; R351-R354 PolarHBondContact O-N 2.88Å; R352-R354 VanDerWaalsContact C-N 3.35Å; R352-R354 PolarHBondContact O-N 3.28Å; R354-L357 PolarHBondContact O-N 2.92Å; R354-A358 WeakPolarHBondContact O-CB 3.42Å; R354-A358 PolarHBondContact O-N 3.49Å
355	D	39.2	Very low	38.5	Very low	79 Å²	79	137.6 Å²	137.6	42%	0.422	66%	0.662	S	S	.	*	H	α-helix	trans	-63.1	-42.3	179.4	-54.2	-34.8	0	0	0	110.6	R351 R352 A358 Q359	R351-D355 PolarHBondContact O-N 2.94Å; R352-D355 PolarHBondContact O-N 3.31Å; D355-A358 PolarHBondContact O-N 3.15Å; D355-Q359 WeakPolarHBondContact O-CB 3.36Å; D355-Q359 PolarHBondContact O-N 3.19Å
356	T	44.2	Very low	38.3	Very low	78 Å²	78	137.2 Å²	137.2	48%	0.479	65%	0.653	S	S	.	*	H	α-helix	trans	-66.6	-39.6	174.7	-54	0	0	0	0	112.7	R352 Q359 L360	R352-T356 PolarHBondContact O-N 3.3Å; R352-T356 PolarHBondContact O-OG1 3.36Å; R352-T356 VanDerWaalsContact O-OG1 3.05Å; T356-Q359 PolarHBondContact O-N 3.11Å; T356-L360 HydrophobicContact CG2-CD1 4.42Å; T356-L360 WeakPolarHBondContact O-CG 3.35Å; T356-L360 PolarHBondContact O-N 3.26Å
357	L	40.3	Very low	37.8	Very low	108 Å²	108	138.6 Å²	138.6	57%	0.565	66%	0.663	S	S	*	*	H	α-helix	trans	-62.7	-44.5	173.3	-111.1	159.9	0	0	0	111.6	L353 R354 Q359 L360 T361	L353-L357 WeakPolarHBondContact O-CB 3.35Å; L353-L357 PolarHBondContact O-N 2.96Å; L353-L357 VanDerWaalsContact O-N 3.08Å; R354-L357 PolarHBondContact O-N 2.92Å; L357-Q359 VanDerWaalsContact C-N 3.27Å; L357-Q359 PolarHBondContact O-N 3.38Å; L357-L360 PolarHBondContact O-N 2.84Å; L357-T361 PolarHBondContact O-N 2.99Å; L357-T361 VanDerWaalsContact O-N 3.07Å; L357-T361 PolarHBondContact O-OG1 3.04Å
358	A	42.5	Very low	37.8	Very low	54 Å²	54	137.5 Å²	137.5	45%	0.446	66%	0.663	S	S	.	*	H	α-helix	trans	-64.9	-30.2	177.1	0	0	0	0	0	112.9	R354 D355 T361	R354-A358 WeakPolarHBondContact O-CB 3.42Å; R354-A358 PolarHBondContact O-N 3.49Å; D355-A358 PolarHBondContact O-N 3.15Å; A358-T361 VanDerWaalsContact C-OG1 3.31Å; A358-T361 VanDerWaalsContact CA-OG1 3.31Å; A358-T361 WeakPolarHBondContact CA-OG1 3.49Å; A358-T361 PolarHBondContact O-OG1 3.47Å
359	Q	40.8	Very low	37	Very low	127 Å²	127	137.6 Å²	137.6	59%	0.593	67%	0.67	S	S	*	*	H	α-helix	trans	-74.7	-42.7	175.6	-168.3	163.1	1.6	0	0	111.7	D355 T356 L357 T361 K362	D355-Q359 WeakPolarHBondContact O-CB 3.36Å; D355-Q359 PolarHBondContact O-N 3.19Å; T356-Q359 PolarHBondContact O-N 3.11Å; L357-Q359 VanDerWaalsContact C-N 3.27Å; L357-Q359 PolarHBondContact O-N 3.38Å; Q359-T361 VanDerWaalsContact C-N 3.28Å; Q359-T361 PolarHBondContact O-N 2.91Å; Q359-K362 PolarHBondContact O-N 2.87Å
360	L	38.8	Very low	37	Very low	120 Å²	120	134.3 Å²	134.3	63%	0.628	67%	0.666	S	S	*	*	H	α-helix	trans	-63.3	-31.5	173.7	-73.7	168	0	0	0	112.9	T356 L357 K362	T356-L360 HydrophobicContact CG2-CD1 4.42Å; T356-L360 WeakPolarHBondContact O-CG 3.35Å; T356-L360 PolarHBondContact O-N 3.26Å; L357-L360 PolarHBondContact O-N 2.84Å; L360-K362 PolarHBondContact O-N 2.82Å
361	T	38.1	Very low	36.9	Very low	102 Å²	102	130.6 Å²	130.6	63%	0.626	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	0.2	172.9	49.7	0	0	0	0	114.8	L357 A358 Q359	L357-T361 PolarHBondContact O-N 2.99Å; L357-T361 VanDerWaalsContact O-N 3.07Å; L357-T361 PolarHBondContact O-OG1 3.04Å; A358-T361 VanDerWaalsContact C-OG1 3.31Å; A358-T361 VanDerWaalsContact CA-OG1 3.31Å; A358-T361 WeakPolarHBondContact CA-OG1 3.49Å; A358-T361 PolarHBondContact O-OG1 3.47Å; Q359-T361 VanDerWaalsContact C-N 3.28Å; Q359-T361 PolarHBondContact O-N 2.91Å
362	K	37	Very low	36.8	Very low	178 Å²	178	127.3 Å²	127.3	77%	0.774	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	-5.1	-177.2	-89.3	-167.7	169.2	-167.9	0	115.9	Q359 L360	Q359-K362 PolarHBondContact O-N 2.87Å; L360-K362 PolarHBondContact O-N 2.82Å
363	E	31.6	Very low	36.1	Very low	156 Å²	156	130.8 Å²	130.8	73%	0.729	68%	0.683	S	S	*	*			trans	-98.5	22.8	-175.1	-62.5	-168.8	164.3	0	0	114.2
364	T	34.8	Very low	35.5	Very low	103 Å²	103	134.8 Å²	134.8	63%	0.632	70%	0.695	S	S	*	*			trans	-107.2	39.1	-176.4	-37.8	0	0	0	0	113.5
365	E	24.7	Very low	34.7	Very low	165 Å²	165	136.3 Å²	136.3	77%	0.771	70%	0.7	S	S	*	*	S	Bend	trans	-132.2	83	180	-76.1	-72.1	171.7	0	0	112.4
366	I	30.4	Very low	34.4	Very low	141 Å²	141	139 Å²	139	72%	0.723	72%	0.722	S	S	*	*			trans	41.4	100.1	145.7	-46.3	174.7	0	0	0	120.6
367	S	25.4	Very low	33.5	Very low	111 Å²	111	140.3 Å²	140.3	78%	0.776	74%	0.735	S	S	*	*			trans	53.5	165.9	130.2	-126.9	0	0	0	0	123
368	P	36.9	Very low	33	Very low	119 Å²	119	140 Å²	140	77%	0.773	75%	0.748	S	S	*	*			cis	-127.5	-174.3	-16.4	28.3	-4.3	0	0	0	115.6
369	F	21.9	Very low	32.3	Very low	199 Å²	199	146 Å²	146	87%	0.873	77%	0.766	S	S	*	*			trans	-79.2	-178.4	175.5	-89.5	-87.5	0	0	0	114.8
370	P	38.8	Very low	31.7	Very low	109 Å²	109	149.3 Å²	149.3	71%	0.708	78%	0.781	S	S	*	*			cis	-136.5	-137	2.2	29.7	-1.4	0	0	0	114.7
371	P	42.1	Very low	31.2	Very low	115 Å²	115	149.2 Å²	149.2	75%	0.747	79%	0.791	S	S	*	*				-121.2	-146.6	-84.4	39.4	-20.1	0	0	0	115.8
372	P	43.1	Very low	30.8	Very low	113 Å²	113	152.7 Å²	152.7	73%	0.734	81%	0.805	S	S	*	*				-130.7	168.5	-96.3	42.8	-25.2	0	0	0	116.9
373	R	25.7	Very low	30.4	Very low	254 Å²	254	150.1 Å²	150.1	96%	0.958	81%	0.809	S	S	*	*			trans	-138.2	150.4	159.1	-74.1	-163.5	175.9	-174	0.2	114.7
374	K	25.1	Very low	30.4	Very low	210 Å²	210	150.9 Å²	150.9	91%	0.913	82%	0.817	S	S	*	*			trans	-70.1	162.9	-155.7	-62	171.9	175.3	178.9	0	117.2
375	R	26.4	Very low	30.1	Very low	222 Å²	222	149.4 Å²	149.4	84%	0.838	82%	0.821	S	S	*	*			trans	-69.4	175.1	165.2	-50.1	176.6	-172.9	148.7	-0.3	111.9
376	P	34.2	Very low	30.5	Very low	134 Å²	134	147 Å²	147	87%	0.87	82%	0.823	S	S	*	*				-128.3	178.6	86.5	14.6	6.6	0	0	0	114.8
377	S	25.6	Very low	30.7	Very low	107 Å²	107	148 Å²	148	75%	0.748	83%	0.829	S	S	*	*			trans	-94.3	157.7	-166.1	-44.7	0	0	0	0	115.1
378	A	28.9	Very low	31.3	Very low	102 Å²	102	148.1 Å²	148.1	84%	0.843	83%	0.825	S	S	*	*			trans	-149.4	159.3	140.4	0	0	0	0	0	108.9
379	E	27.9	Very low	31	Very low	178 Å²	178	148.9 Å²	148.9	83%	0.832	82%	0.822	S	S	*	*			trans	-96.2	146.1	-170.6	-60.3	170.8	145.4	0	0	112.3
380	H	29	Very low	31.7	Very low	197 Å²	197	146 Å²	146	91%	0.912	82%	0.815	S	S	*	*				-178.4	128.3	129.8	-96.6	-61.2	0	0	0	110.2
381	S	27.9	Very low	31.3	Very low	119 Å²	119	143.9 Å²	143.9	83%	0.832	80%	0.802	S	S	*	*			trans	-87.1	125.1	178.4	-56.3	0	0	0	0	112.1
382	L	29.9	Very low	30.7	Very low	174 Å²	174	145.5 Å²	145.5	91%	0.911	80%	0.804	S	S	*	*			trans	-136.4	138.3	146.5	-77.7	-178.1	0	0	0	108.8
383	S	27.3	Very low	30.3	Very low	125 Å²	125	143.9 Å²	143.9	87%	0.874	79%	0.793	S	S	*	*			trans	-75.8	133.2	-176.6	-167.5	0	0	0	0	111
384	I	32.8	Very low	30.5	Very low	172 Å²	172	136.6 Å²	136.6	88%	0.882	78%	0.779	S	S	*	*			trans	-126	116.5	173.2	-167.9	168.7	0	0	0	108.4
385	G	27.2	Very low	30.7	Very low	71 Å²	71	135.8 Å²	135.8	73%	0.732	78%	0.778	S	S	*	*			trans	145.9	45.5	-175.5	0	0	0	0	0	116.2
386	S	34	Very low	30.8	Very low	115 Å²	115	131.1 Å²	131.1	80%	0.804	77%	0.774	S	S	*	*			trans	-105	100.2	157.8	-173.7	0	0	0	0	107.8
387	L	34.8	Very low	30.5	Very low	162 Å²	162	130.3 Å²	130.3	85%	0.848	77%	0.77	S	S	*	*			trans	-144.1	20.7	-173.8	-125.2	175.9	0	0	0	113.3
388	V	38.2	Very low	30.5	Very low	113 Å²	113	134.8 Å²	134.8	69%	0.685	78%	0.776	S	S	*	*			trans	-118.6	71.3	172.2	-82.3	0	0	0	0	109.6
389	D	30.7	Very low	30.3	Very low	135 Å²	135	134.9 Å²	134.9	72%	0.722	78%	0.777	S	S	*	*			trans	-149.3	82.2	171.6	-147.4	-11.7	0	0	0	111.7
390	I	35.4	Very low	30.4	Very low	140 Å²	140	134.7 Å²	134.7	72%	0.718	78%	0.781	S	S	*	*			trans	-140.4	75.7	166.1	-50	-179.3	0	0	0	108.9	R562	I390-R562 PolarHBondContact O-NH2 3.24Å
391	S	32	Very low	30.4	Very low	63 Å²	63	130.2 Å²	130.2	44%	0.441	78%	0.778	S	S	.	*			trans	-140.1	88.9	165.5	48.5	0	0	0	0	110.2	T393	S391-T393 PolarHBondContact O-N 2.88Å
392	N	29.3	Very low	30.4	Very low	149 Å²	149	133.8 Å²	133.8	80%	0.797	78%	0.781	S	S	*	*			trans	-84.2	90.7	169.5	-78.5	-44.2	0	0	0	109.6
393	T	33.7	Very low	30.5	Very low	79 Å²	79	131.4 Å²	131.4	49%	0.485	78%	0.779	S	S	.	*			trans	-128.9	132.4	169.8	42.8	0	0	0	0	109.2	S391 E395	S391-T393 PolarHBondContact O-N 2.88Å; T393-E395 PolarHBondContact O-N 3.37Å
394	P	30.4	Very low	30.6	Very low	102 Å²	102	131 Å²	131	66%	0.662	78%	0.776	S	S	*	*			trans	-79.6	102.3	-171.5	30.8	-34.3	0	0	0	112.2	T396	P394-T396 PolarHBondContact O-N 3.16Å
395	E	29.1	Very low	30.7	Very low	193 Å²	193	132.5 Å²	132.5	90%	0.902	78%	0.777	S	S	*	*			trans	-60.6	123.5	170.4	-68.7	-167.5	155.1	0	0	111	T393	T393-E395 PolarHBondContact O-N 3.37Å
396	T	29.2	Very low	30.9	Very low	123 Å²	123	134.5 Å²	134.5	76%	0.755	78%	0.777	S	S	*	*			trans	-126.2	97.2	177.9	-60.4	0	0	0	0	110.4	P394	P394-T396 PolarHBondContact O-N 3.16Å
397	C	26.4	Very low	30.6	Very low	117 Å²	117	134 Å²	134	79%	0.791	77%	0.773	S	S	*	*			trans	-173.7	147.5	146.8	-108.4	0	0	0	0	115.5
398	K	27.2	Very low	30.9	Very low	202 Å²	202	136.5 Å²	136.5	88%	0.878	78%	0.777	S	S	*	*			trans	67.6	104.2	158.2	-63.1	171.8	-175.7	175	0	119
399	A	24.3	Very low	30.5	Very low	103 Å²	103	136.2 Å²	136.2	85%	0.851	78%	0.78	S	S	*	*			trans	-141	107.7	142.5	0	0	0	0	0	109.2
400	L	30.2	Very low	31.1	Very low	175 Å²	175	135.4 Å²	135.4	92%	0.916	79%	0.785	S	S	*	*			trans	-159.5	86.7	172.9	-127.2	169.1	0	0	0	110.2
401	A	28.8	Very low	30.9	Very low	102 Å²	102	135 Å²	135	84%	0.843	79%	0.789	S	S	*	*			trans	-157	130.3	168.7	0	0	0	0	0	108.2
402	E	28.6	Very low	31.2	Very low	194 Å²	194	137.6 Å²	137.6	91%	0.907	81%	0.805	S	S	*	*			trans	-89.1	165.2	-170.7	-64.2	178.5	113.6	0	0	113.3
403	S	31.4	Very low	31.4	Very low	124 Å²	124	137.3 Å²	137.3	87%	0.867	81%	0.808	S	S	*	*			trans	-80.5	128.7	-179.3	67.6	0	0	0	0	112.9
404	S	29.5	Very low	31.8	Very low	117 Å²	117	140 Å²	140	82%	0.818	82%	0.824	S	S	*	*			trans	-148.9	149.9	149	60	0	0	0	0	111.1
405	K	34.1	Very low	32.6	Very low	204 Å²	204	139.7 Å²	139.7	89%	0.887	82%	0.824	S	S	*	*			trans	-108.8	147.2	162.8	-69.4	178.3	176.9	175.8	0	106.6
406	P	31.5	Very low	33.8	Very low	113 Å²	113	140.3 Å²	140.3	73%	0.734	82%	0.824	S	S	*	*				-149.7	167.8	104	39.8	-24.3	0	0	0	116.6
407	S	27.4	Very low	35.7	Very low	104 Å²	104	140.5 Å²	140.5	73%	0.727	82%	0.816	S	S	*	*			trans	33.6	117.5	148.2	59.5	0	0	0	0	122.8
408	K	42.2	Very low	38.4	Very low	214 Å²	214	136.7 Å²	136.7	93%	0.93	79%	0.791	S	S	*	*			trans	-4.7	114.9	146.1	-57.7	175.2	-179.6	179	0	118.3
409	S	29.4	Very low	41.2	Very low	108 Å²	108	129.6 Å²	129.6	76%	0.755	77%	0.77	S	S	*	*			trans	-160.7	158.7	131.7	55	0	0	0	0	111.6
410	S	43.2	Very low	44.1	Very low	117 Å²	117	125.1 Å²	125.1	82%	0.818	73%	0.731	S	S	*	*			trans	-42.2	125.6	-175.9	49	0	0	0	0	118.5
411	T	31	Very low	46.9	Very low	132 Å²	132	118.4 Å²	118.4	81%	0.81	69%	0.693	S	S	*	*			trans	-149	159.4	155.3	19.5	0	0	0	0	109.4
412	P	38.4	Very low	49.7	Very low	118 Å²	118	118 Å²	118	77%	0.766	67%	0.674	S	S	*	*			trans	-71.8	158.5	-164.9	28.4	-36	0	0	0	114.3	V414	P412-V414 PolarHBondContact O-N 3.09Å; P412-V414 VanDerWaalsContact O-N 3.16Å
413	V	34.3	Very low	52.6	Low	142 Å²	142	109.5 Å²	109.5	86%	0.861	64%	0.636	S	S	*	*			trans	-64.4	112.4	174.8	179.7	0	0	0	0	109.5	S415	V413-S415 PolarHBondContact O-N 3.29Å; V413-S415 VanDerWaalsContact O-N 3.14Å
414	V	40.8	Very low	55.4	Low	137 Å²	137	103.7 Å²	103.7	83%	0.83	60%	0.595	S	S	*	*			trans	-62.8	114.3	165	178.3	0	0	0	0	107.4	P412	P412-V414 PolarHBondContact O-N 3.09Å; P412-V414 VanDerWaalsContact O-N 3.16Å
415	S	48.3	Very low	58.2	Low	94 Å²	94	101.6 Å²	101.6	66%	0.657	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-61.3	138.1	179.4	47.1	0	0	0	0	110.4	V413 Q417	V413-S415 PolarHBondContact O-N 3.29Å; V413-S415 VanDerWaalsContact O-N 3.14Å; S415-Q417 PolarHBondContact O-N 3.18Å; S415-Q417 VanDerWaalsContact O-N 3.15Å
416	K	54	Low	60.8	Low	207 Å²	207	95.2 Å²	95.2	90%	0.9	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-57.6	121.5	164.1	-73.5	-178.5	175.5	-179.6	0	107.4	S418	K416-S418 PolarHBondContact O-N 3.43Å
417	Q	69.9	Low	63.6	Low	127 Å²	127	89.9 Å²	89.9	59%	0.593	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-57.6	134.6	175.9	-73.7	154	-27.6	0	0	109.4	S415 W421	S415-Q417 PolarHBondContact O-N 3.18Å; S415-Q417 VanDerWaalsContact O-N 3.15Å; Q417-W421 HydrophobicContact CB-CD2 4.07Å; Q417-W421 HydrophobicContact CB-CE3 3.51Å; Q417-W421 HydrophobicContact CB-CZ3 3.82Å; Q417-W421 HydrophobicContact CG-CD2 4.23Å; Q417-W421 HydrophobicContact CG-CE3 3.9Å; Q417-W421 HydrophobicContact CG-CH2 4.21Å; Q417-W421 HydrophobicContact CG-CZ3 3.9Å; Q417-W421 VanDerWaalsContact NE2-CH2 3.28Å
418	S	82.8	Confident	66.8	Low	37 Å²	37	87.1 Å²	87.1	26%	0.259	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-70.6	151.2	-172.4	60.7	0	0	0	0	111.4	K416 R420 W421 Q422 E495	K416-S418 PolarHBondContact O-N 3.43Å; S418-R420 PolarHBondContact O-N 3.31Å; S418-R420 VanDerWaalsContact O-N 3.15Å; S418-W421 WeakPolarHBondContact O-CB 3.39Å; S418-W421 PolarHBondContact O-N 3.26Å; S418-Q422 PolarHBondContact O-N 2.9Å; S418-Q422 VanDerWaalsContact O-N 3.09Å; S418-E495 VanDerWaalsContact CB-OE1 3.31Å; S418-E495 WeakPolarHBondContact CB-OE1 3.47Å; S418-E495 PolarHBondContact OG-OE1 3.48Å
419	A	84.8	Confident	69	Low	53 Å²	53	81 Å²	81	44%	0.438	46%	0.458	S	S	.	.	H	α-helix	trans	-56.9	-34.4	-177.1	0	0	0	0	0	112.2	Q422 V423 H580	A419-Q422 PolarHBondContact O-N 3.36Å; A419-V423 PolarHBondContact O-N 2.69Å; A419-H580 HydrophobicContact CB-CB 4.23Å
420	R	86.6	Confident	72	Confident	9 Å²	9	78 Å²	78	3%	0.034	44%	0.436	C	S	.	.	H	α-helix	trans	-60.3	-45	172.5	-172.2	179.8	167.8	-135.3	-11.8	112.7	S418 Q422 S424 W493 E495 R497 I577 H580 T581 N585 D587	S418-R420 PolarHBondContact O-N 3.31Å; S418-R420 VanDerWaalsContact O-N 3.15Å; R420-Q422 VanDerWaalsContact C-N 3.33Å; R420-Q422 PolarHBondContact O-N 3.18Å; R420-S424 WeakPolarHBondContact O-CB 3.43Å; R420-S424 PolarHBondContact O-N 2.83Å; R420-S424 PolarHBondContact O-OG 3.07Å; R420-W493 HydrophobicContact CG-CZ2 4.39Å; R420-E495 PolarHBondContact NH1-O 3.45Å; R420-R497 PolarHBondContact NH2-O 2.9Å; R420-I577 HydrophobicContact CG-CG2 3.97Å; R420-H580 HydrophobicContact CB-CB 4.25Å; R420-T581 VanDerWaalsContact CD-OG1 3.24Å; R420-T581 WeakPolarHBondContact CD-OG1 2.81Å; R420-T581 PolarHBondContact NE-OG1 3.02Å; R420-N585 PolarHBondContact NH1-ND2 2.84Å; R420-D587 IonicContact CZ-OD2 2.73Å; R420-D587 IonicContact NE-OD2 3.52Å; R420-D587 VanDerWaalsContact NH2-CB 3.29Å; R420-D587 VanDerWaalsContact NH2-CG 3.31Å; R420-D587 IonicContact NH2-OD2 2.71Å; R420-D587 PolarHBondContact NH2-OD2 2.78Å
421	W	88.4	Confident	74.4	Confident	33 Å²	33	72.6 Å²	72.6	13%	0.125	40%	0.397	C	S	.	.	H	α-helix	trans	-61.8	-41.3	174.8	177.8	88.2	0	0	0	111.5	Q417 S418 V423 S424 K425 W493	Q417-W421 HydrophobicContact CB-CD2 4.07Å; Q417-W421 HydrophobicContact CB-CE3 3.51Å; Q417-W421 HydrophobicContact CB-CZ3 3.82Å; Q417-W421 HydrophobicContact CG-CD2 4.23Å; Q417-W421 HydrophobicContact CG-CE3 3.9Å; Q417-W421 HydrophobicContact CG-CH2 4.21Å; Q417-W421 HydrophobicContact CG-CZ3 3.9Å; Q417-W421 VanDerWaalsContact NE2-CH2 3.28Å; S418-W421 WeakPolarHBondContact O-CB 3.39Å; S418-W421 PolarHBondContact O-N 3.26Å; W421-V423 PolarHBondContact O-N 3.19Å; W421-S424 PolarHBondContact O-N 2.88Å; W421-K425 HydrophobicContact CE3-CD 4.48Å; W421-K425 HydrophobicContact CH2-CD 3.42Å; W421-K425 VanDerWaalsContact CH2-CD 3.42Å; W421-K425 HydrophobicContact CZ2-CD 3.82Å; W421-K425 HydrophobicContact CZ3-CD 3.78Å; W421-K425 WeakPolarHBondContact O-CB 3.28Å; W421-K425 PolarHBondContact O-N 3.4Å; W421-W493 HydrophobicContact CB-CZ2 4.09Å; W421-W493 AromaticContact CD1-CD1 3.66Å; W421-W493 AromaticContact CD1-CD2 3.57Å; W421-W493 AromaticContact CD1-CE2 3.77Å; W421-W493 AromaticContact CD1-CG 3.48Å; W421-W493 VanDerWaalsContact CD1-CG 3.48Å; W421-W493 AromaticContact CD1-NE1 3.82Å; W421-W493 HydrophobicContact CG-CD2 4.49Å
422	Q	87.8	Confident	77.3	Confident	93 Å²	93	67.1 Å²	67.1	44%	0.435	36%	0.364	S	S	.	.	H	α-helix	trans	-61.5	-45.9	-179.2	-175.7	61.7	31.4	0	0	112	S418 A419 R420 K425 E426	S418-Q422 PolarHBondContact O-N 2.9Å; S418-Q422 VanDerWaalsContact O-N 3.09Å; A419-Q422 PolarHBondContact O-N 3.36Å; R420-Q422 VanDerWaalsContact C-N 3.33Å; R420-Q422 PolarHBondContact O-N 3.18Å; Q422-K425 PolarHBondContact O-N 3.3Å; Q422-E426 PolarHBondContact O-N 2.93Å
423	V	89.3	Confident	79.8	Confident	17 Å²	17	65.4 Å²	65.4	10%	0.103	35%	0.349	C	S	.	.	H	α-helix	trans	-72.8	-31.7	176.9	-170.7	0	0	0	0	111.7	A419 W421 K425 E426 L427 L573 D576 I577	A419-V423 PolarHBondContact O-N 2.69Å; W421-V423 PolarHBondContact O-N 3.19Å; V423-K425 VanDerWaalsContact C-N 3.32Å; V423-K425 PolarHBondContact O-N 3.41Å; V423-E426 WeakPolarHBondContact O-CB 3.35Å; V423-E426 PolarHBondContact O-N 3.36Å; V423-L427 PolarHBondContact O-N 3.18Å; V423-L573 HydrophobicContact CG1-CD2 4.29Å; V423-D576 HydrophobicContact CG1-CB 4.11Å; V423-I577 HydrophobicContact CB-CG1 3.87Å; V423-I577 HydrophobicContact CG1-CD1 4.46Å; V423-I577 HydrophobicContact CG1-CG1 3.62Å
424	S	89.6	Confident	82.5	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.007	31%	0.31	C	S	.	.	H	α-helix	trans	-66.3	-35.5	173	-55.5	0	0	0	0	112.1	R420 W421 L427 Y428 W493	R420-S424 WeakPolarHBondContact O-CB 3.43Å; R420-S424 PolarHBondContact O-N 2.83Å; R420-S424 PolarHBondContact O-OG 3.07Å; W421-S424 PolarHBondContact O-N 2.88Å; S424-L427 PolarHBondContact O-N 3.38Å; S424-Y428 PolarHBondContact O-N 3.4Å; S424-W493 WeakPolarHBondContact OG-CH2 3.37Å
425	K	88.8	Confident	85.1	Confident	73 Å²	73	52.9 Å²	52.9	32%	0.317	27%	0.271	S	S	.	.	H	α-helix	trans	-69.9	-40.2	172.4	179.4	177	170.4	-178.4	0	111.9	W421 Q422 V423 L427 Y428 Q429 L490	W421-K425 HydrophobicContact CE3-CD 4.48Å; W421-K425 HydrophobicContact CH2-CD 3.42Å; W421-K425 VanDerWaalsContact CH2-CD 3.42Å; W421-K425 HydrophobicContact CZ2-CD 3.82Å; W421-K425 HydrophobicContact CZ3-CD 3.78Å; W421-K425 WeakPolarHBondContact O-CB 3.28Å; W421-K425 PolarHBondContact O-N 3.4Å; Q422-K425 PolarHBondContact O-N 3.3Å; V423-K425 VanDerWaalsContact C-N 3.32Å; V423-K425 PolarHBondContact O-N 3.41Å; K425-L427 VanDerWaalsContact C-N 3.31Å; K425-L427 PolarHBondContact O-N 3.39Å; K425-Y428 PolarHBondContact O-N 3.41Å; K425-Q429 HydrophobicContact CG-CG 4.34Å; K425-Q429 WeakPolarHBondContact O-CG 3.49Å; K425-Q429 PolarHBondContact O-N 3.31Å; K425-L490 HydrophobicContact CB-CD1 4.47Å; K425-L490 HydrophobicContact CB-CD2 4.37Å
426	E	89.1	Confident	87.1	Confident	71 Å²	71	51.6 Å²	51.6	33%	0.332	26%	0.257	S	S	.	.	H	α-helix	trans	-59.6	-40.9	172.3	-173.9	-175.8	158.2	0	0	111.7	Q422 V423 Q429 T430 L573	Q422-E426 PolarHBondContact O-N 2.93Å; V423-E426 WeakPolarHBondContact O-CB 3.35Å; V423-E426 PolarHBondContact O-N 3.36Å; E426-Q429 PolarHBondContact O-N 2.85Å; E426-T430 HydrophobicContact CG-CG2 4.46Å; E426-T430 WeakPolarHBondContact O-CB 3.43Å; E426-T430 WeakPolarHBondContact O-CG2 3.49Å; E426-T430 PolarHBondContact O-N 3.32Å; E426-T430 PolarHBondContact O-OG1 2.96Å; E426-L573 HydrophobicContact CG-CD2 4.22Å; E426-L573 WeakPolarHBondContact OE1-CD2 3.34Å
427	L	90.7	Very high	88.8	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-58.1	-49.7	173	179.5	62.4	0	0	0	111.5	V423 S424 K425 T430 E431 L486 V499 V570 L573 L574 I577	V423-L427 PolarHBondContact O-N 3.18Å; S424-L427 PolarHBondContact O-N 3.38Å; K425-L427 VanDerWaalsContact C-N 3.31Å; K425-L427 PolarHBondContact O-N 3.39Å; L427-T430 PolarHBondContact O-OG1 3.19Å; L427-T430 VanDerWaalsContact O-OG1 3.11Å; L427-E431 WeakPolarHBondContact O-CB 3.34Å; L427-E431 PolarHBondContact O-N 2.96Å; L427-L486 HydrophobicContact CD2-CD1 4.47Å; L427-L486 HydrophobicContact CD2-CD2 4.37Å; L427-L486 HydrophobicContact CG-CD1 4.24Å; L427-V499 HydrophobicContact CD2-CG1 3.96Å; L427-V570 HydrophobicContact CD1-CG1 4.4Å; L427-V570 HydrophobicContact CD1-CG2 4.3Å; L427-L573 HydrophobicContact CD1-CB 4.18Å; L427-L573 HydrophobicContact CD1-CD1 3.87Å; L427-L574 HydrophobicContact CD2-CD2 4.13Å; L427-I577 HydrophobicContact CB-CD1 4.46Å; L427-I577 HydrophobicContact CD2-CD1 3.97Å
428	Y	92.8	Very high	89.9	Confident	46 Å²	46	37.7 Å²	37.7	18%	0.18	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-43.5	175.3	165.2	-94.4	0	0	0	113.2	S424 K425 E431 S432 K483 L486 E487 L490	S424-Y428 PolarHBondContact O-N 3.4Å; K425-Y428 PolarHBondContact O-N 3.41Å; Y428-E431 CarbonylContact O-C 3.55Å; Y428-E431 WeakPolarHBondContact O-CB 3.23Å; Y428-E431 PolarHBondContact O-N 3Å; Y428-E431 VanDerWaalsContact O-N 3.15Å; Y428-S432 PolarHBondContact O-N 2.88Å; Y428-K483 HydrophobicContact CD2-CG 4.42Å; Y428-K483 HydrophobicContact CE2-CG 3.95Å; Y428-L486 HydrophobicContact CD2-CB 4.1Å; Y428-E487 HydrophobicContact CD2-CB 4.29Å; Y428-E487 HydrophobicContact CE2-CB 3.7Å; Y428-E487 HydrophobicContact CE2-CG 4.02Å; Y428-E487 PolarHBondContact OH-OE1 3.11Å; Y428-L490 HydrophobicContact CD1-CD1 4.05Å; Y428-L490 HydrophobicContact CD2-CD1 4.45Å; Y428-L490 HydrophobicContact CG-CD1 3.68Å
429	Q	90.1	Very high	90.4	Very high	86 Å²	86	38.4 Å²	38.4	40%	0.402	20%	0.197	S	C	.	.	H	α-helix	trans	-63.6	-45.2	179.7	-72.8	-177.6	-88.7	0	0	111.4	K425 E426 E431 S432 N433	K425-Q429 HydrophobicContact CG-CG 4.34Å; K425-Q429 WeakPolarHBondContact O-CG 3.49Å; K425-Q429 PolarHBondContact O-N 3.31Å; E426-Q429 PolarHBondContact O-N 2.85Å; Q429-E431 VanDerWaalsContact C-N 3.25Å; Q429-E431 PolarHBondContact O-N 3.3Å; Q429-S432 PolarHBondContact O-N 2.87Å; Q429-N433 VanDerWaalsContact O-CG 3.24Å; Q429-N433 PolarHBondContact O-N 3.36Å; Q429-N433 PolarHBondContact O-OD1 3.44Å
430	T	91.3	Very high	90.6	Very high	45 Å²	45	37.1 Å²	37.1	28%	0.276	18%	0.184	S	C	.	.	H	α-helix	trans	-69.2	-24.4	175	64.1	0	0	0	0	112.8	E426 L427 Y434 R566	E426-T430 HydrophobicContact CG-CG2 4.46Å; E426-T430 WeakPolarHBondContact O-CB 3.43Å; E426-T430 WeakPolarHBondContact O-CG2 3.49Å; E426-T430 PolarHBondContact O-N 3.32Å; E426-T430 PolarHBondContact O-OG1 2.96Å; L427-T430 PolarHBondContact O-OG1 3.19Å; L427-T430 VanDerWaalsContact O-OG1 3.11Å; T430-Y434 VanDerWaalsContact O-CB 3.32Å; T430-Y434 WeakPolarHBondContact O-CB 3.48Å; T430-Y434 PolarHBondContact O-N 3.45Å; T430-Y434 VanDerWaalsContact O-N 3.13Å; T430-R566 VanDerWaalsContact CB-NH1 3.33Å; T430-R566 PolarHBondContact OG1-NH1 3.29Å; T430-R566 PolarHBondContact OG1-NH2 2.87Å
431	E	93.4	Very high	90.9	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-75.8	-42	174.3	-167.1	58	-135.7	0	0	111.8	L427 Y428 Q429 Y434 V435 H479 I482 K483 L486 R566	L427-E431 WeakPolarHBondContact O-CB 3.34Å; L427-E431 PolarHBondContact O-N 2.96Å; Y428-E431 CarbonylContact O-C 3.55Å; Y428-E431 WeakPolarHBondContact O-CB 3.23Å; Y428-E431 PolarHBondContact O-N 3Å; Y428-E431 VanDerWaalsContact O-N 3.15Å; Q429-E431 VanDerWaalsContact C-N 3.25Å; Q429-E431 PolarHBondContact O-N 3.3Å; E431-Y434 PolarHBondContact O-N 3.42Å; E431-V435 WeakPolarHBondContact O-CG2 3.4Å; E431-V435 PolarHBondContact O-N 2.88Å; E431-H479 WeakPolarHBondContact OE1-CB 3.15Å; E431-H479 IonicContact OE1-CE1 2.71Å; E431-H479 IonicContact OE1-CG 2.64Å; E431-H479 IonicContact OE1-ND1 2.65Å; E431-H479 PolarHBondContact OE1-ND1 3.33Å; E431-H479 IonicContact OE2-ND1 2.7Å; E431-I482 HydrophobicContact CG-CG2 4.25Å; E431-K483 HydrophobicContact CG-CB 4.26Å; E431-L486 HydrophobicContact CB-CD1 4.43Å; E431-L486 HydrophobicContact CG-CD1 4.37Å; E431-R566 IonicContact OE2-CZ 2.69Å; E431-R566 VanDerWaalsContact OE2-CZ 3.22Å; E431-R566 IonicContact OE2-NE 3.94Å; E431-R566 PolarHBondContact OE2-NE 3.35Å; E431-R566 IonicContact OE2-NH2 3.15Å; E431-R566 PolarHBondContact OE2-NH2 3.09Å
432	S	92.3	Very high	91.2	Very high	16 Å²	16	35.5 Å²	35.5	11%	0.112	18%	0.179	C	C	.	.	H	α-helix	trans	-58.2	-54.7	170.4	-167.6	0	0	0	0	110.3	Y428 Q429 Y434 V435 D436 K483	Y428-S432 PolarHBondContact O-N 2.88Å; Q429-S432 PolarHBondContact O-N 2.87Å; S432-Y434 PolarHBondContact O-N 3.28Å; S432-V435 CarbonylContact O-C 3.6Å; S432-V435 WeakPolarHBondContact O-CA 3.31Å; S432-V435 PolarHBondContact O-N 3.45Å; S432-D436 WeakPolarHBondContact O-CB 3.33Å; S432-D436 PolarHBondContact O-N 2.89Å; S432-D436 PolarHBondContact OG-OD2 2.98Å; S432-K483 WeakPolarHBondContact OG-CE 3.47Å; S432-K483 PolarHBondContact OG-NZ 3.34Å
433	N	90	Very high	91.4	Very high	83 Å²	83	36 Å²	36	44%	0.444	18%	0.181	S	C	.	.	H	α-helix	trans	-56	-33.2	-179.2	-66.1	2.1	0	0	0	112.1	Q429 I437	Q429-N433 VanDerWaalsContact O-CG 3.24Å; Q429-N433 PolarHBondContact O-N 3.36Å; Q429-N433 PolarHBondContact O-OD1 3.44Å; N433-I437 WeakPolarHBondContact O-CB 3.42Å; N433-I437 WeakPolarHBondContact O-CD1 3.4Å; N433-I437 WeakPolarHBondContact O-CG1 3.41Å; N433-I437 PolarHBondContact O-N 3.33Å
434	Y	91.8	Very high	91.4	Very high	11 Å²	11	36.2 Å²	36.2	4%	0.043	18%	0.181	C	C	.	.	H	α-helix	trans	-71.9	-46.3	174	177.3	-115.4	0	0	0	113.1	T430 E431 S432 D436 I437 L438 I475 H479 Y514 R562 P563 R566	T430-Y434 VanDerWaalsContact O-CB 3.32Å; T430-Y434 WeakPolarHBondContact O-CB 3.48Å; T430-Y434 PolarHBondContact O-N 3.45Å; T430-Y434 VanDerWaalsContact O-N 3.13Å; E431-Y434 PolarHBondContact O-N 3.42Å; S432-Y434 PolarHBondContact O-N 3.28Å; Y434-D436 VanDerWaalsContact C-N 3.29Å; Y434-D436 PolarHBondContact O-N 3.18Å; Y434-I437 PolarHBondContact O-N 3.43Å; Y434-L438 HydrophobicContact CD1-CD1 4.23Å; Y434-L438 HydrophobicContact CE1-CD1 3.65Å; Y434-L438 HydrophobicContact CE1-CG 4.35Å; Y434-L438 HydrophobicContact CE2-CD1 4.28Å; Y434-L438 HydrophobicContact CE2-CD2 4.25Å; Y434-L438 HydrophobicContact CE2-CG 4.13Å; Y434-L438 WeakPolarHBondContact O-CG 3.29Å; Y434-L438 PolarHBondContact O-N 3.15Å; Y434-I475 WeakPolarHBondContact OH-CG2 3.38Å; Y434-H479 HydrophobicContact CD1-CB 4.31Å; Y434-H479 AromaticContact CD1-ND1 3.72Å; Y434-H479 HydrophobicContact CE1-CB 4.09Å; Y434-H479 AromaticContact CE1-CD2 3.98Å; Y434-H479 AromaticContact CE1-CE1 3.83Å; Y434-H479 AromaticContact CE1-CG 3.56Å; Y434-H479 AromaticContact CE1-ND1 3.47Å; Y434-H479 WeakPolarHBondContact CE1-ND1 3.2Å; Y434-Y514 PolarHBondContact OH-OH 2.88Å; Y434-Y514 VanDerWaalsContact OH-OH 3.1Å; Y434-R562 HydrophobicContact CD2-CB 4.44Å; Y434-R562 HydrophobicContact CE2-CB 4.22Å; Y434-P563 HydrophobicContact CE2-CG 4.32Å; Y434-P563 VanDerWaalsContact OH-CA 3.25Å; Y434-P563 WeakPolarHBondContact OH-CA 3.45Å; Y434-P563 VanDerWaalsContact OH-CB 3.3Å; Y434-P563 WeakPolarHBondContact OH-CB 3.43Å; Y434-R566 HydrophobicContact CD1-CG 3.81Å; Y434-R566 HydrophobicContact CD2-CB 4.39Å; Y434-R566 HydrophobicContact CD2-CG 4.33Å; Y434-R566 HydrophobicContact CE1-CB 4.21Å; Y434-R566 HydrophobicContact CE1-CG 3.76Å; Y434-R566 HydrophobicContact CE2-CB 4.03Å; Y434-R566 HydrophobicContact CE2-CG 4.29Å; Y434-R566 HydrophobicContact CG-CG 4.09Å
435	V	94.9	Very high	91.6	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.024	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-38.6	173.7	169.7	0	0	0	0	111.5	E431 S432 L438 N439 Y476 H479 K483	E431-V435 WeakPolarHBondContact O-CG2 3.4Å; E431-V435 PolarHBondContact O-N 2.88Å; S432-V435 CarbonylContact O-C 3.6Å; S432-V435 WeakPolarHBondContact O-CA 3.31Å; S432-V435 PolarHBondContact O-N 3.45Å; V435-L438 PolarHBondContact O-N 2.76Å; V435-N439 WeakPolarHBondContact O-CB 3.32Å; V435-N439 PolarHBondContact O-N 2.89Å; V435-Y476 HydrophobicContact CG1-CD2 4.26Å; V435-Y476 HydrophobicContact CG1-CE2 3.72Å; V435-H479 HydrophobicContact CG2-CB 3.93Å; V435-K483 HydrophobicContact CB-CD 4.39Å; V435-K483 HydrophobicContact CG1-CD 4.33Å; V435-K483 HydrophobicContact CG2-CB 4.29Å
436	D	91.2	Very high	91.7	Very high	67 Å²	67	34 Å²	34	36%	0.358	17%	0.172	S	C	.	.	H	α-helix	trans	-70.9	-36.1	179.1	-61.5	-41.6	0	0	0	111.1	S432 Y434 T440	S432-D436 WeakPolarHBondContact O-CB 3.33Å; S432-D436 PolarHBondContact O-N 2.89Å; S432-D436 PolarHBondContact OG-OD2 2.98Å; Y434-D436 VanDerWaalsContact C-N 3.29Å; Y434-D436 PolarHBondContact O-N 3.18Å; D436-T440 WeakPolarHBondContact O-CB 3.35Å; D436-T440 PolarHBondContact O-N 2.84Å; D436-T440 PolarHBondContact O-OG1 3Å
437	I	89.3	Confident	91.9	Very high	40 Å²	40	34.5 Å²	34.5	21%	0.205	17%	0.174	C	C	.	.	H	α-helix	trans	-63.4	-45.8	168.2	-74.9	164.3	0	0	0	111.4	N433 Y434 T440 V441 L559 R562	N433-I437 WeakPolarHBondContact O-CB 3.42Å; N433-I437 WeakPolarHBondContact O-CD1 3.4Å; N433-I437 WeakPolarHBondContact O-CG1 3.41Å; N433-I437 PolarHBondContact O-N 3.33Å; Y434-I437 PolarHBondContact O-N 3.43Å; I437-T440 WeakPolarHBondContact O-CB 3.48Å; I437-T440 PolarHBondContact O-N 3.25Å; I437-V441 WeakPolarHBondContact O-CG2 3.46Å; I437-V441 PolarHBondContact O-N 3.39Å; I437-L559 HydrophobicContact CG2-CD2 4.28Å; I437-R562 HydrophobicContact CG2-CG 4.44Å
438	L	92.3	Very high	91.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-43.4	177.6	-72	-179.4	0	0	0	111.7	Y434 V435 T440 V441 L442 I472 I475 Y476 P563	Y434-L438 HydrophobicContact CD1-CD1 4.23Å; Y434-L438 HydrophobicContact CE1-CD1 3.65Å; Y434-L438 HydrophobicContact CE1-CG 4.35Å; Y434-L438 HydrophobicContact CE2-CD1 4.28Å; Y434-L438 HydrophobicContact CE2-CD2 4.25Å; Y434-L438 HydrophobicContact CE2-CG 4.13Å; Y434-L438 WeakPolarHBondContact O-CG 3.29Å; Y434-L438 PolarHBondContact O-N 3.15Å; V435-L438 PolarHBondContact O-N 2.76Å; L438-T440 VanDerWaalsContact C-N 3.31Å; L438-T440 PolarHBondContact O-N 2.92Å; L438-V441 PolarHBondContact O-N 3.4Å; L438-L442 WeakPolarHBondContact O-CG 3.42Å; L438-L442 PolarHBondContact O-N 2.9Å; L438-I472 HydrophobicContact CD2-CD1 4.21Å; L438-I472 HydrophobicContact CD2-CG2 4.37Å; L438-I475 HydrophobicContact CD1-CG2 4.07Å; L438-Y476 HydrophobicContact CB-CD2 3.72Å; L438-Y476 HydrophobicContact CB-CG 4.43Å; L438-Y476 HydrophobicContact CD1-CD2 4.45Å; L438-P563 HydrophobicContact CD2-CG 4.15Å
439	N	93.6	Very high	91.7	Very high	52 Å²	52	34.5 Å²	34.5	28%	0.278	18%	0.18	S	C	.	.	H	α-helix	trans	-59.9	-42	173	-175.1	41.7	0	0	0	111	V435 V441 L442 Q443 Y476	V435-N439 WeakPolarHBondContact O-CB 3.32Å; V435-N439 PolarHBondContact O-N 2.89Å; N439-V441 VanDerWaalsContact C-N 3.35Å; N439-V441 PolarHBondContact O-N 2.99Å; N439-L442 PolarHBondContact O-N 3.07Å; N439-L442 VanDerWaalsContact O-N 3.14Å; N439-Q443 WeakPolarHBondContact O-CB 3.5Å; N439-Q443 VanDerWaalsContact O-CG 3.3Å; N439-Q443 WeakPolarHBondContact O-CG 3.35Å; N439-Q443 PolarHBondContact O-N 3.49Å; N439-Q443 VanDerWaalsContact OD1-CG 3.24Å; N439-Q443 WeakPolarHBondContact OD1-CG 3.28Å; N439-Q443 PolarHBondContact OD1-NE2 3.23Å; N439-Y476 HydrophobicContact CB-CE2 3.84Å
440	T	90	Very high	91.6	Very high	27 Å²	27	33.3 Å²	33.3	17%	0.166	17%	0.174	C	C	.	.	H	α-helix	trans	-60.1	-42.4	175.7	-57.8	0	0	0	0	111.8	D436 I437 L438 L442 L444 E550	D436-T440 WeakPolarHBondContact O-CB 3.35Å; D436-T440 PolarHBondContact O-N 2.84Å; D436-T440 PolarHBondContact O-OG1 3Å; I437-T440 WeakPolarHBondContact O-CB 3.48Å; I437-T440 PolarHBondContact O-N 3.25Å; L438-T440 VanDerWaalsContact C-N 3.31Å; L438-T440 PolarHBondContact O-N 2.92Å; T440-L442 PolarHBondContact O-N 3.13Å; T440-L444 HydrophobicContact CG2-CD1 3.63Å; T440-L444 HydrophobicContact CG2-CG 4.17Å; T440-L444 VanDerWaalsContact O-CB 3.32Å; T440-L444 WeakPolarHBondContact O-CB 3.49Å; T440-L444 PolarHBondContact O-N 3.22Å; T440-E550 HydrophobicContact CG2-CB 4Å
441	V	92.7	Very high	91.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-42.5	173.5	172.8	0	0	0	0	111.7	I437 L438 N439 F445 K446 F469 I472 L556 L559 L560	I437-V441 WeakPolarHBondContact O-CG2 3.46Å; I437-V441 PolarHBondContact O-N 3.39Å; L438-V441 PolarHBondContact O-N 3.4Å; N439-V441 VanDerWaalsContact C-N 3.35Å; N439-V441 PolarHBondContact O-N 2.99Å; V441-F445 WeakPolarHBondContact O-CB 3.4Å; V441-F445 PolarHBondContact O-N 3.12Å; V441-K446 PolarHBondContact O-N 3.43Å; V441-K446 VanDerWaalsContact O-N 3.12Å; V441-F469 HydrophobicContact CG1-CD1 4.1Å; V441-F469 HydrophobicContact CG1-CE1 4Å; V441-I472 HydrophobicContact CG1-CG2 4.44Å; V441-L556 HydrophobicContact CG1-CD1 4.39Å; V441-L559 HydrophobicContact CG2-CB 3.71Å; V441-L559 HydrophobicContact CG2-CD1 4.09Å; V441-L560 HydrophobicContact CG1-CD2 4.03Å
442	L	93.4	Very high	90.4	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.037	23%	0.232	C	C	.	.	I	π-helix	trans	-68.3	-49.7	179.3	-69.1	173.2	0	0	0	112.6	L438 N439 T440 K446 H447 I472 P473 Y476	L438-L442 WeakPolarHBondContact O-CG 3.42Å; L438-L442 PolarHBondContact O-N 2.9Å; N439-L442 PolarHBondContact O-N 3.07Å; N439-L442 VanDerWaalsContact O-N 3.14Å; T440-L442 PolarHBondContact O-N 3.13Å; L442-K446 HydrophobicContact CD2-CB 4.21Å; L442-K446 HydrophobicContact CD2-CD 3.59Å; L442-K446 PolarHBondContact O-N 3.13Å; L442-H447 PolarHBondContact O-CD2 3.43Å; L442-H447 VanDerWaalsContact O-CD2 3.25Å; L442-H447 PolarHBondContact O-N 2.83Å; L442-I472 HydrophobicContact CD2-CG2 4.07Å; L442-I472 HydrophobicContact CG-CG2 4.39Å; L442-P473 HydrophobicContact CD2-CG 4.02Å; L442-Y476 HydrophobicContact CD1-CD1 3.66Å; L442-Y476 HydrophobicContact CD1-CD2 4.28Å; L442-Y476 HydrophobicContact CD1-CE1 4.24Å; L442-Y476 HydrophobicContact CD1-CG 3.68Å
443	Q	92.6	Very high	89.2	Confident	102 Å²	102	49.9 Å²	49.9	48%	0.477	27%	0.265	S	S	.	.	I	π-helix	trans	-77.1	-35.9	-173.4	-59.8	-59.7	-19.4	0	0	113.8	N439 P448	N439-Q443 WeakPolarHBondContact O-CB 3.5Å; N439-Q443 VanDerWaalsContact O-CG 3.3Å; N439-Q443 WeakPolarHBondContact O-CG 3.35Å; N439-Q443 PolarHBondContact O-N 3.49Å; N439-Q443 VanDerWaalsContact OD1-CG 3.24Å; N439-Q443 WeakPolarHBondContact OD1-CG 3.28Å; N439-Q443 PolarHBondContact OD1-NE2 3.23Å; Q443-P448 WeakPolarHBondContact O-CD 3.33Å; Q443-P448 WeakPolarHBondContact O-CG 3.42Å
444	L	90.4	Very high	88.5	Confident	22 Å²	22	47.5 Å²	47.5	12%	0.115	25%	0.251	C	S	.	.	I	π-helix	trans	-92	-26.3	-177.5	-58.7	-172.6	0	0	0	113.6	T440 F541 N545 K548 E550	T440-L444 HydrophobicContact CG2-CD1 3.63Å; T440-L444 HydrophobicContact CG2-CG 4.17Å; T440-L444 VanDerWaalsContact O-CB 3.32Å; T440-L444 WeakPolarHBondContact O-CB 3.49Å; T440-L444 PolarHBondContact O-N 3.22Å; L444-F541 WeakPolarHBondContact O-CZ 3.34Å; L444-N545 PolarHBondContact O-OD1 3.4Å; L444-K548 HydrophobicContact CD1-CD 4.1Å; L444-K548 HydrophobicContact CD2-CD 4.21Å; L444-E550 HydrophobicContact CD1-CB 3.92Å; L444-E550 HydrophobicContact CD1-CG 4.41Å; L444-E550 WeakPolarHBondContact CD1-OE2 3.42Å
445	F	92.3	Very high	87.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.266	C	S	.	.	I	π-helix	trans	-116.3	-56.9	-176.5	-56	-93.6	0	0	0	112.7	V441 L449 F469 F541 L542 N545 Q546 L556 L559	V441-F445 WeakPolarHBondContact O-CB 3.4Å; V441-F445 PolarHBondContact O-N 3.12Å; F445-L449 VanDerWaalsContact O-CD1 3.27Å; F445-L449 WeakPolarHBondContact O-CD1 3.35Å; F445-L449 WeakPolarHBondContact O-CG 3.45Å; F445-L449 PolarHBondContact O-N 2.84Å; F445-F469 HydrophobicContact CB-CE1 3.92Å; F445-F469 HydrophobicContact CB-CZ 3.76Å; F445-F541 HydrophobicContact CB-CE1 4.48Å; F445-F541 HydrophobicContact CD1-CE1 4.04Å; F445-L542 HydrophobicContact CD1-CD2 4.16Å; F445-L542 HydrophobicContact CE1-CD2 4.09Å; F445-N545 HydrophobicContact CD1-CB 4.22Å; F445-N545 HydrophobicContact CE1-CB 3.65Å; F445-N545 HydrophobicContact CE2-CB 4.49Å; F445-N545 HydrophobicContact CZ-CB 3.81Å; F445-Q546 HydrophobicContact CE1-CG 4.24Å; F445-Q546 HydrophobicContact CZ-CG 4.1Å; F445-L556 HydrophobicContact CB-CD1 4.18Å; F445-L556 HydrophobicContact CD1-CB 4.46Å; F445-L556 HydrophobicContact CD1-CD1 3.99Å; F445-L556 HydrophobicContact CD1-CD2 4Å; F445-L556 HydrophobicContact CD1-CG 4.37Å; F445-L556 HydrophobicContact CD2-CD1 4.01Å; F445-L556 HydrophobicContact CE1-CB 4.24Å; F445-L556 HydrophobicContact CE1-CD1 4.36Å; F445-L556 HydrophobicContact CE2-CD1 4.37Å; F445-L556 HydrophobicContact CG-CD1 3.79Å; F445-L556 HydrophobicContact CG-CD2 4.41Å; F445-L559 HydrophobicContact CE2-CD1 4.06Å
446	K	92.5	Very high	85.8	Confident	29 Å²	29	51.1 Å²	51.1	13%	0.126	28%	0.281	C	S	.	.	I	π-helix	trans	-66.1	-60.8	-173.1	-169.1	-180	-175.1	-74.2	0	113	V441 L442 L449 E450 F469 P473	V441-K446 PolarHBondContact O-N 3.43Å; V441-K446 VanDerWaalsContact O-N 3.12Å; L442-K446 HydrophobicContact CD2-CB 4.21Å; L442-K446 HydrophobicContact CD2-CD 3.59Å; L442-K446 PolarHBondContact O-N 3.13Å; K446-L449 PolarHBondContact O-N 2.87Å; K446-L449 VanDerWaalsContact O-N 3.15Å; K446-E450 IonicContact NZ-OE1 2.82Å; K446-E450 PolarHBondContact NZ-OE1 2.81Å; K446-E450 IonicContact NZ-OE2 2.71Å; K446-E450 PolarHBondContact NZ-OE2 3.41Å; K446-E450 PolarHBondContact O-N 2.68Å; K446-E450 VanDerWaalsContact O-N 3.13Å; K446-F469 HydrophobicContact CB-CD1 4.08Å; K446-F469 HydrophobicContact CB-CD2 4.13Å; K446-F469 HydrophobicContact CB-CE1 4.11Å; K446-F469 HydrophobicContact CB-CE2 4.18Å; K446-F469 HydrophobicContact CB-CG 4.11Å; K446-F469 HydrophobicContact CB-CZ 4.17Å; K446-F469 HydrophobicContact CD-CB 4.06Å; K446-F469 HydrophobicContact CD-CD2 4.48Å; K446-F469 HydrophobicContact CD-CG 4.16Å; K446-F469 HydrophobicContact CG-CB 4.36Å; K446-F469 HydrophobicContact CG-CD1 4.43Å; K446-F469 HydrophobicContact CG-CD2 3.86Å; K446-F469 HydrophobicContact CG-CE2 4.3Å; K446-F469 HydrophobicContact CG-CG 3.96Å; K446-P473 HydrophobicContact CD-CG 4.1Å
447	H	92.3	Very high	85.1	Confident	80 Å²	80	49.2 Å²	49.2	37%	0.37	28%	0.278	S	S	.	.	H	α-helix	trans	-63.4	-37.5	-174.6	-61.4	-46.2	0	0	0	114	L442 L449 E450 K451	L442-H447 PolarHBondContact O-CD2 3.43Å; L442-H447 VanDerWaalsContact O-CD2 3.25Å; L442-H447 PolarHBondContact O-N 2.83Å; H447-L449 VanDerWaalsContact C-N 3.29Å; H447-L449 PolarHBondContact O-N 2.69Å; H447-E450 IonicContact ND1-OE2 2.68Å; H447-E450 PolarHBondContact O-N 2.78Å; H447-K451 WeakPolarHBondContact O-CB 3.42Å; H447-K451 PolarHBondContact O-N 3.42Å
448	P	89.9	Confident	84.7	Confident	44 Å²	44	52.1 Å²	52.1	29%	0.286	30%	0.299	S	S	.	.	H	α-helix	trans	-65.9	-26.5	174.4	-26.4	38.4	0	0	0	114.6	Q443 F541	Q443-P448 WeakPolarHBondContact O-CD 3.33Å; Q443-P448 WeakPolarHBondContact O-CG 3.42Å; P448-F541 HydrophobicContact CB-CE2 3.81Å; P448-F541 HydrophobicContact CB-CZ 3.98Å
449	L	88.9	Confident	84.4	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-80.6	-29.5	175	-70.4	169.2	0	0	0	112.8	F445 K446 H447 Q454 I459 L460 I465 F469 F538 F541	F445-L449 VanDerWaalsContact O-CD1 3.27Å; F445-L449 WeakPolarHBondContact O-CD1 3.35Å; F445-L449 WeakPolarHBondContact O-CG 3.45Å; F445-L449 PolarHBondContact O-N 2.84Å; K446-L449 PolarHBondContact O-N 2.87Å; K446-L449 VanDerWaalsContact O-N 3.15Å; H447-L449 VanDerWaalsContact C-N 3.29Å; H447-L449 PolarHBondContact O-N 2.69Å; L449-Q454 PolarHBondContact O-NE2 2.89Å; L449-I459 HydrophobicContact CD2-CB 3.91Å; L449-I459 HydrophobicContact CD2-CD1 4.44Å; L449-I459 HydrophobicContact CD2-CG2 3.86Å; L449-L460 HydrophobicContact CD1-CD1 4.23Å; L449-L460 HydrophobicContact CD2-CG 4.4Å; L449-I465 HydrophobicContact CB-CD1 3.93Å; L449-I465 HydrophobicContact CB-CG1 4.23Å; L449-I465 WeakPolarHBondContact O-CD1 3.26Å; L449-F469 HydrophobicContact CD1-CE2 3.91Å; L449-F469 HydrophobicContact CD1-CZ 4.08Å; L449-F538 HydrophobicContact CD1-CE2 4.12Å; L449-F538 HydrophobicContact CD2-CD2 4.31Å; L449-F541 HydrophobicContact CD1-CD1 4.48Å; L449-F541 HydrophobicContact CD1-CE1 3.79Å; L449-F541 HydrophobicContact CD1-CZ 4.22Å; L449-F541 HydrophobicContact CD2-CD1 4.04Å; L449-F541 HydrophobicContact CD2-CD2 4.47Å; L449-F541 HydrophobicContact CD2-CE1 3.85Å; L449-F541 HydrophobicContact CD2-CE2 4.3Å; L449-F541 HydrophobicContact CD2-CG 4.36Å; L449-F541 HydrophobicContact CD2-CZ 4Å; L449-F541 HydrophobicContact CG-CD1 4.38Å; L449-F541 HydrophobicContact CG-CE1 3.7Å; L449-F541 HydrophobicContact CG-CE2 4.36Å; L449-F541 HydrophobicContact CG-CZ 3.69Å
450	E	88.7	Confident	84.2	Confident	61 Å²	61	50.5 Å²	50.5	29%	0.285	29%	0.29	S	S	.	.	H	α-helix	trans	-85.4	-14.3	176.6	-68.6	178.7	141.7	0	0	113.7	K446 H447 E452 Q462 I465	K446-E450 IonicContact NZ-OE1 2.82Å; K446-E450 PolarHBondContact NZ-OE1 2.81Å; K446-E450 IonicContact NZ-OE2 2.71Å; K446-E450 PolarHBondContact NZ-OE2 3.41Å; K446-E450 PolarHBondContact O-N 2.68Å; K446-E450 VanDerWaalsContact O-N 3.13Å; H447-E450 IonicContact ND1-OE2 2.68Å; H447-E450 PolarHBondContact O-N 2.78Å; E450-E452 PolarHBondContact O-N 3.17Å; E450-Q462 PolarHBondContact OE1-NE2 3.1Å; E450-I465 HydrophobicContact CG-CD1 4.44Å; E450-I465 HydrophobicContact CG-CG2 3.82Å
451	K	85.6	Confident	84.1	Confident	148 Å²	148	51.1 Å²	51.1	64%	0.643	30%	0.298	S	S	*	.			trans	-63	123.9	-175.8	-177.9	175.9	177.6	-178.3	0	111.9	H447 Q454	H447-K451 WeakPolarHBondContact O-CB 3.42Å; H447-K451 PolarHBondContact O-N 3.42Å; K451-Q454 WeakPolarHBondContact O-CG 3.25Å; K451-Q454 PolarHBondContact O-NE2 2.78Å
452	E	74.1	Confident	83.9	Confident	184 Å²	184	55.9 Å²	55.9	86%	0.86	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	147.1	171.5	-62.7	-177.4	175	0	0	111.8	E450	E450-E452 PolarHBondContact O-N 3.17Å
453	G	67.2	Low	83.7	Confident	79 Å²	79	62 Å²	62	81%	0.814	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	28.8	179.2	0	0	0	0	0	115.2	V455	G453-V455 PolarHBondContact O-N 2.95Å
454	Q	75.5	Confident	83.6	Confident	33 Å²	33	58.3 Å²	58.3	15%	0.154	33%	0.331	C	S	.	.			trans	-52.4	129.7	169.3	-82.1	159.6	61.7	0	0	111.5	L449 K451 G456 G457	L449-Q454 PolarHBondContact O-NE2 2.89Å; K451-Q454 WeakPolarHBondContact O-CG 3.25Å; K451-Q454 PolarHBondContact O-NE2 2.78Å; Q454-G456 PolarHBondContact O-N 3.33Å; Q454-G457 WeakPolarHBondContact O-CA 3.34Å; Q454-G457 PolarHBondContact O-N 2.89Å
455	V	65.1	Low	83.7	Confident	59 Å²	59	57.4 Å²	57.4	36%	0.358	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	122.7	176.8	-174.4	0	0	0	0	109.1	M313 G453 R537	M313-V455 HydrophobicContact CB-CG1 4.15Å; G453-V455 PolarHBondContact O-N 2.95Å; V455-R537 PolarHBondContact O-NH2 3.45Å
456	G	64.6	Low	83.6	Confident	33 Å²	33	65 Å²	65	34%	0.34	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	1.3	-172.2	0	0	0	0	0	115.3	Q454 R537	Q454-G456 PolarHBondContact O-N 3.33Å; G456-R537 PolarHBondContact O-NH1 2.85Å; G456-R537 VanDerWaalsContact O-NH1 3.14Å
457	G	75.6	Confident	83.5	Confident	27 Å²	27	66.1 Å²	66.1	28%	0.278	37%	0.369	S	S	.	.	S	Bend	trans	87.5	175.1	-175.2	0	0	0	0	0	113.3	Q454 R537	Q454-G457 WeakPolarHBondContact O-CA 3.34Å; Q454-G457 PolarHBondContact O-N 2.89Å; G457-R537 PolarHBondContact O-NH1 3.43Å; G457-R537 PolarHBondContact O-NH2 3.42Å
458	P	82.3	Confident	83.5	Confident	101 Å²	101	62.3 Å²	62.3	66%	0.656	35%	0.351	S	S	*	.			trans	-62.2	137.1	-172.6	25.4	-34.7	0	0	0	113
459	I	86.1	Confident	83.6	Confident	10 Å²	10	60.3 Å²	60.3	5%	0.051	34%	0.338	C	S	.	.	S	Bend	trans	-79.5	-36.9	-177.3	-66.2	166.5	0	0	0	112	Q312 L449 F538 F541	Q312-I459 HydrophobicContact CG-CD1 3.82Å; L449-I459 HydrophobicContact CD2-CB 3.91Å; L449-I459 HydrophobicContact CD2-CD1 4.44Å; L449-I459 HydrophobicContact CD2-CG2 3.86Å; I459-F538 HydrophobicContact CG2-CB 3.75Å; I459-F538 HydrophobicContact CG2-CD2 4.05Å; I459-F538 HydrophobicContact CG2-CG 4.4Å; I459-F541 HydrophobicContact CD1-CB 4.44Å; I459-F541 HydrophobicContact CD1-CD2 4.01Å; I459-F541 HydrophobicContact CD1-CG 4.44Å
460	L	88.1	Confident	83.6	Confident	9 Å²	9	61.9 Å²	61.9	5%	0.047	36%	0.356	C	S	.	.	S	Bend	trans	-129.2	162.8	175.9	-70.2	-172.4	0	0	0	111	L449 E464 I465 I468 C531 K535 F538	L449-L460 HydrophobicContact CD1-CD1 4.23Å; L449-L460 HydrophobicContact CD2-CG 4.4Å; L460-E464 HydrophobicContact CB-CB 4.47Å; L460-I465 HydrophobicContact CB-CD1 4.18Å; L460-I465 HydrophobicContact CB-CG1 3.76Å; L460-I465 HydrophobicContact CD1-CG1 4.19Å; L460-I468 HydrophobicContact CD1-CD1 3.61Å; L460-C531 HydrophobicContact CD2-CB 3.93Å; L460-K535 HydrophobicContact CD2-CD 3.78Å; L460-F538 HydrophobicContact CD1-CD2 3.83Å; L460-F538 HydrophobicContact CD1-CE2 3.64Å; L460-F538 HydrophobicContact CD1-CG 4.46Å; L460-F538 HydrophobicContact CD1-CZ 4.1Å; L460-F538 HydrophobicContact CD2-CB 4.12Å; L460-F538 HydrophobicContact CD2-CD1 4.31Å; L460-F538 HydrophobicContact CD2-CD2 3.96Å; L460-F538 HydrophobicContact CD2-CE2 4.49Å; L460-F538 HydrophobicContact CD2-CG 3.86Å; L460-F538 HydrophobicContact CG-CD2 3.82Å; L460-F538 HydrophobicContact CG-CE2 4.17Å; L460-F538 HydrophobicContact CG-CG 4.25Å
461	A	88.9	Confident	83.7	Confident	40 Å²	40	59.3 Å²	59.3	33%	0.331	34%	0.344	S	S	.	.			trans	-79.7	152.5	168.4	0	0	0	0	0	110.6	E463 E464 I465	A461-E463 WeakPolarHBondContact CB-OE2 3.29Å; A461-E463 PolarHBondContact O-N 3.04Å; A461-E464 HydrophobicContact CB-CG 4.28Å; A461-E464 PolarHBondContact N-OE2 2.92Å; A461-E464 WeakPolarHBondContact O-CB 3.46Å; A461-E464 PolarHBondContact O-N 2.88Å; A461-I465 WeakPolarHBondContact O-CG1 3.17Å; A461-I465 PolarHBondContact O-N 3.27Å
462	Q	87.9	Confident	84.2	Confident	102 Å²	102	52.3 Å²	52.3	48%	0.477	31%	0.314	S	S	.	.	H	α-helix	trans	-64.4	-29.3	-174.9	-169.2	60	26.4	0	0	112.3	E450 K466	E450-Q462 PolarHBondContact OE1-NE2 3.1Å; Q462-K466 WeakPolarHBondContact O-CB 3.48Å; Q462-K466 PolarHBondContact O-N 2.86Å
463	E	88.4	Confident	85.1	Confident	136 Å²	136	45.2 Å²	45.2	64%	0.636	28%	0.283	S	S	*	.	H	α-helix	trans	-66	-41	173.2	-58.1	70.2	-154.5	0	0	111.3	A461 T467	A461-E463 WeakPolarHBondContact CB-OE2 3.29Å; A461-E463 PolarHBondContact O-N 3.04Å; E463-T467 WeakPolarHBondContact O-CB 3.39Å; E463-T467 PolarHBondContact O-N 3.49Å; E463-T467 PolarHBondContact O-OG1 3.45Å
464	E	91.1	Very high	86.4	Confident	24 Å²	24	45.4 Å²	45.4	11%	0.112	26%	0.263	C	S	.	.	H	α-helix	trans	-68.3	-43.5	176	-64	179.1	132.5	0	0	110.7	L460 A461 K466 T467 I468 T527 R530 C531 K535	L460-E464 HydrophobicContact CB-CB 4.47Å; A461-E464 HydrophobicContact CB-CG 4.28Å; A461-E464 PolarHBondContact N-OE2 2.92Å; A461-E464 WeakPolarHBondContact O-CB 3.46Å; A461-E464 PolarHBondContact O-N 2.88Å; E464-K466 PolarHBondContact O-N 3.11Å; E464-T467 PolarHBondContact O-N 3.25Å; E464-I468 VanDerWaalsContact O-CG1 3.28Å; E464-I468 WeakPolarHBondContact O-CG1 3.37Å; E464-I468 PolarHBondContact O-N 2.74Å; E464-T527 HydrophobicContact CB-CG2 4.38Å; E464-R530 IonicContact OE1-CZ 3.95Å; E464-R530 VanDerWaalsContact OE1-CZ 3.3Å; E464-R530 IonicContact OE1-NH1 3.25Å; E464-R530 PolarHBondContact OE1-NH1 2.8Å; E464-R530 IonicContact OE1-NH2 3.5Å; E464-R530 PolarHBondContact OE1-NH2 3.44Å; E464-C531 PolarHBondContact OE1-SG 2.86Å; E464-C531 VanDerWaalsContact OE1-SG 3.35Å; E464-K535 IonicContact OE1-NZ 3.73Å; E464-K535 IonicContact OE2-NZ 2.64Å; E464-K535 PolarHBondContact OE2-NZ 2.98Å
465	I	91.6	Very high	87.4	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-58	-49.2	174.6	-64.5	169.2	0	0	0	110.1	L449 E450 L460 A461 T467 I468 F469	L449-I465 HydrophobicContact CB-CD1 3.93Å; L449-I465 HydrophobicContact CB-CG1 4.23Å; L449-I465 WeakPolarHBondContact O-CD1 3.26Å; E450-I465 HydrophobicContact CG-CD1 4.44Å; E450-I465 HydrophobicContact CG-CG2 3.82Å; L460-I465 HydrophobicContact CB-CD1 4.18Å; L460-I465 HydrophobicContact CB-CG1 3.76Å; L460-I465 HydrophobicContact CD1-CG1 4.19Å; A461-I465 WeakPolarHBondContact O-CG1 3.17Å; A461-I465 PolarHBondContact O-N 3.27Å; I465-T467 VanDerWaalsContact C-N 3.29Å; I465-T467 PolarHBondContact O-N 3.05Å; I465-I468 PolarHBondContact O-N 3.23Å; I465-F469 HydrophobicContact CG2-CD2 3.85Å; I465-F469 HydrophobicContact CG2-CE2 4.16Å; I465-F469 VanDerWaalsContact O-CD2 3.28Å; I465-F469 WeakPolarHBondContact O-CD2 3.29Å; I465-F469 PolarHBondContact O-N 3.25Å
466	K	91.2	Very high	88.9	Confident	161 Å²	161	44 Å²	44	70%	0.7	25%	0.251	S	S	*	.	H	α-helix	trans	-61.2	-36.7	177.3	-171	175.3	-178.3	178.8	0	112.5	Q462 E464 G470	Q462-K466 WeakPolarHBondContact O-CB 3.48Å; Q462-K466 PolarHBondContact O-N 2.86Å; E464-K466 PolarHBondContact O-N 3.11Å; K466-G470 WeakPolarHBondContact O-CA 3.29Å; K466-G470 PolarHBondContact O-N 3.5Å
467	T	90.7	Very high	90.4	Very high	51 Å²	51	48 Å²	48	31%	0.313	26%	0.26	S	S	.	.	H	α-helix	trans	-69.7	-34.5	176.7	-55.4	0	0	0	0	112.3	E463 E464 I465 M523 S524	E463-T467 WeakPolarHBondContact O-CB 3.39Å; E463-T467 PolarHBondContact O-N 3.49Å; E463-T467 PolarHBondContact O-OG1 3.45Å; E464-T467 PolarHBondContact O-N 3.25Å; I465-T467 VanDerWaalsContact C-N 3.29Å; I465-T467 PolarHBondContact O-N 3.05Å; T467-M523 HydrophobicContact CG2-CG 3.75Å; T467-S524 WeakPolarHBondContact O-CB 3.41Å; T467-S524 PolarHBondContact O-OG 3.48Å
468	I	92.5	Very high	91.3	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-74.8	-44.8	179.4	-69.7	169.2	0	0	0	111.9	L460 E464 I465 T527 I528 F538 L556 L560	L460-I468 HydrophobicContact CD1-CD1 3.61Å; E464-I468 VanDerWaalsContact O-CG1 3.28Å; E464-I468 WeakPolarHBondContact O-CG1 3.37Å; E464-I468 PolarHBondContact O-N 2.74Å; I465-I468 PolarHBondContact O-N 3.23Å; I468-T527 HydrophobicContact CD1-CG2 4.03Å; I468-T527 HydrophobicContact CG1-CG2 3.73Å; I468-I528 HydrophobicContact CD1-CG1 4.16Å; I468-I528 HydrophobicContact CG1-CG1 4.03Å; I468-I528 HydrophobicContact CG2-CD1 4.12Å; I468-I528 HydrophobicContact CG2-CG1 4.01Å; I468-F538 HydrophobicContact CD1-CZ 4.23Å; I468-L556 HydrophobicContact CG2-CD2 4.4Å; I468-L560 HydrophobicContact CG2-CD1 4.31Å
469	F	92.1	Very high	92	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-99.4	-19.2	-171.5	-60.5	-73.5	0	0	0	114.9	V441 F445 K446 L449 I465 S471 I472 L556	V441-F469 HydrophobicContact CG1-CD1 4.1Å; V441-F469 HydrophobicContact CG1-CE1 4Å; F445-F469 HydrophobicContact CB-CE1 3.92Å; F445-F469 HydrophobicContact CB-CZ 3.76Å; K446-F469 HydrophobicContact CB-CD1 4.08Å; K446-F469 HydrophobicContact CB-CD2 4.13Å; K446-F469 HydrophobicContact CB-CE1 4.11Å; K446-F469 HydrophobicContact CB-CE2 4.18Å; K446-F469 HydrophobicContact CB-CG 4.11Å; K446-F469 HydrophobicContact CB-CZ 4.17Å; K446-F469 HydrophobicContact CD-CB 4.06Å; K446-F469 HydrophobicContact CD-CD2 4.48Å; K446-F469 HydrophobicContact CD-CG 4.16Å; K446-F469 HydrophobicContact CG-CB 4.36Å; K446-F469 HydrophobicContact CG-CD1 4.43Å; K446-F469 HydrophobicContact CG-CD2 3.86Å; K446-F469 HydrophobicContact CG-CE2 4.3Å; K446-F469 HydrophobicContact CG-CG 3.96Å; L449-F469 HydrophobicContact CD1-CE2 3.91Å; L449-F469 HydrophobicContact CD1-CZ 4.08Å; I465-F469 HydrophobicContact CG2-CD2 3.85Å; I465-F469 HydrophobicContact CG2-CE2 4.16Å; I465-F469 VanDerWaalsContact O-CD2 3.28Å; I465-F469 WeakPolarHBondContact O-CD2 3.29Å; I465-F469 PolarHBondContact O-N 3.25Å; F469-S471 PolarHBondContact O-N 3.25Å; F469-I472 WeakPolarHBondContact O-CB 3.38Å; F469-I472 WeakPolarHBondContact O-CG1 3.43Å; F469-I472 PolarHBondContact O-N 3.46Å; F469-L556 HydrophobicContact CE1-CD1 4.38Å
470	G	88.8	Confident	92.5	Very high	38 Å²	38	43.2 Å²	43.2	39%	0.392	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-130.1	173.9	0	0	0	0	0	114.1	K466	K466-G470 WeakPolarHBondContact O-CA 3.29Å; K466-G470 PolarHBondContact O-N 3.5Å
471	S	91.3	Very high	92.9	Very high	7 Å²	7	46.8 Å²	46.8	5%	0.049	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	18.9	175.7	54.5	0	0	0	0	114.6	F469 P473 E474 I475 A513 F517	F469-S471 PolarHBondContact O-N 3.25Å; S471-P473 VanDerWaalsContact C-N 3.28Å; S471-E474 WeakPolarHBondContact O-CB 3.47Å; S471-E474 PolarHBondContact O-N 2.68Å; S471-I475 PolarHBondContact O-N 3.32Å; S471-A513 PolarHBondContact OG-O 2.92Å; S471-F517 WeakPolarHBondContact OG-CB 3.48Å; S471-F517 PolarHBondContact OG-N 2.93Å
472	I	94.2	Very high	93.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-49.2	-40.8	174	-72.4	-72.6	0	0	0	113.5	L438 V441 L442 F469 E474 I475 Y476 F517 L560 P563	L438-I472 HydrophobicContact CD2-CD1 4.21Å; L438-I472 HydrophobicContact CD2-CG2 4.37Å; V441-I472 HydrophobicContact CG1-CG2 4.44Å; L442-I472 HydrophobicContact CD2-CG2 4.07Å; L442-I472 HydrophobicContact CG-CG2 4.39Å; F469-I472 WeakPolarHBondContact O-CB 3.38Å; F469-I472 WeakPolarHBondContact O-CG1 3.43Å; F469-I472 PolarHBondContact O-N 3.46Å; I472-E474 PolarHBondContact O-N 3.38Å; I472-I475 PolarHBondContact O-N 3Å; I472-Y476 WeakPolarHBondContact O-CB 3.42Å; I472-Y476 PolarHBondContact O-N 3.23Å; I472-F517 HydrophobicContact CD1-CD2 3.98Å; I472-F517 HydrophobicContact CD1-CE1 4.19Å; I472-F517 HydrophobicContact CD1-CE2 3.62Å; I472-F517 HydrophobicContact CD1-CG 4.42Å; I472-F517 HydrophobicContact CD1-CZ 3.74Å; I472-F517 HydrophobicContact CG1-CD2 3.82Å; I472-F517 HydrophobicContact CG1-CE2 3.58Å; I472-F517 HydrophobicContact CG1-CZ 4.22Å; I472-L560 HydrophobicContact CD1-CD2 3.97Å; I472-L560 HydrophobicContact CG1-CD2 3.96Å; I472-P563 HydrophobicContact CD1-CG 3.74Å
473	P	94.2	Very high	93.5	Very high	34 Å²	34	41.8 Å²	41.8	22%	0.221	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-40.9	174.5	-23.3	34	0	0	0	113.5	L442 K446 S471 Y476 E477	L442-P473 HydrophobicContact CD2-CG 4.02Å; K446-P473 HydrophobicContact CD-CG 4.1Å; S471-P473 VanDerWaalsContact C-N 3.28Å; P473-Y476 WeakPolarHBondContact O-CB 3.32Å; P473-Y476 PolarHBondContact O-N 2.87Å; P473-E477 WeakPolarHBondContact O-CG 3.37Å; P473-E477 PolarHBondContact O-N 3.5Å
474	E	94.7	Very high	93.9	Very high	84 Å²	84	39.2 Å²	39.2	39%	0.393	20%	0.197	S	C	.	.	H	α-helix	trans	-66.3	-39.9	178.6	-54.4	-174.4	-174.5	0	0	111	S471 I472 E477 V478 A513	S471-E474 WeakPolarHBondContact O-CB 3.47Å; S471-E474 PolarHBondContact O-N 2.68Å; I472-E474 PolarHBondContact O-N 3.38Å; E474-E477 PolarHBondContact O-N 3.14Å; E474-V478 WeakPolarHBondContact O-CG2 3.39Å; E474-V478 PolarHBondContact O-N 2.98Å; E474-V478 VanDerWaalsContact O-N 3.11Å; E474-A513 HydrophobicContact CB-CB 4.05Å
475	I	95.4	Very high	94	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-44.5	174.1	-63	173	0	0	0	110	Y434 L438 S471 I472 E477 V478 H479 A513 Y514 F517 P563	Y434-I475 WeakPolarHBondContact OH-CG2 3.38Å; L438-I475 HydrophobicContact CD1-CG2 4.07Å; S471-I475 PolarHBondContact O-N 3.32Å; I472-I475 PolarHBondContact O-N 3Å; I475-E477 PolarHBondContact O-N 3.14Å; I475-V478 PolarHBondContact O-N 2.86Å; I475-H479 WeakPolarHBondContact O-CB 3.34Å; I475-H479 PolarHBondContact O-CD2 3.01Å; I475-H479 VanDerWaalsContact O-CD2 3.26Å; I475-H479 PolarHBondContact O-N 2.66Å; I475-A513 HydrophobicContact CG1-CB 3.96Å; I475-Y514 HydrophobicContact CD1-CD1 4.34Å; I475-Y514 HydrophobicContact CD1-CE1 4.35Å; I475-Y514 HydrophobicContact CD1-CG 4.44Å; I475-Y514 HydrophobicContact CG1-CD2 4.34Å; I475-Y514 HydrophobicContact CG1-CE2 4.27Å; I475-Y514 HydrophobicContact CG2-CE2 3.99Å; I475-F517 HydrophobicContact CD1-CB 3.84Å; I475-F517 HydrophobicContact CD1-CD1 4.23Å; I475-F517 HydrophobicContact CD1-CG 4.1Å; I475-P563 HydrophobicContact CD1-CB 4.41Å
476	Y	96.5	Very high	94.1	Very high	62 Å²	62	39.7 Å²	39.7	24%	0.243	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-43	176.1	173.2	-104.6	0	0	0	112.8	V435 L438 N439 L442 I472 P473 V478 H479 T480	V435-Y476 HydrophobicContact CG1-CD2 4.26Å; V435-Y476 HydrophobicContact CG1-CE2 3.72Å; L438-Y476 HydrophobicContact CB-CD2 3.72Å; L438-Y476 HydrophobicContact CB-CG 4.43Å; L438-Y476 HydrophobicContact CD1-CD2 4.45Å; N439-Y476 HydrophobicContact CB-CE2 3.84Å; L442-Y476 HydrophobicContact CD1-CD1 3.66Å; L442-Y476 HydrophobicContact CD1-CD2 4.28Å; L442-Y476 HydrophobicContact CD1-CE1 4.24Å; L442-Y476 HydrophobicContact CD1-CG 3.68Å; I472-Y476 WeakPolarHBondContact O-CB 3.42Å; I472-Y476 PolarHBondContact O-N 3.23Å; P473-Y476 WeakPolarHBondContact O-CB 3.32Å; P473-Y476 PolarHBondContact O-N 2.87Å; Y476-V478 PolarHBondContact O-N 2.62Å; Y476-H479 PolarHBondContact O-N 2.92Å; Y476-T480 WeakPolarHBondContact CE2-OG1 3.35Å; Y476-T480 VanDerWaalsContact O-CB 3.27Å; Y476-T480 WeakPolarHBondContact O-CB 3.43Å; Y476-T480 PolarHBondContact O-N 2.86Å; Y476-T480 PolarHBondContact O-OG1 2.95Å
477	E	95.8	Very high	94.2	Very high	117 Å²	117	35.9 Å²	35.9	55%	0.547	19%	0.185	S	C	.	.	H	α-helix	trans	-65.4	-35.2	177.9	-75.7	176.8	-163.4	0	0	113.4	P473 E474 I475 R481	P473-E477 WeakPolarHBondContact O-CG 3.37Å; P473-E477 PolarHBondContact O-N 3.5Å; E474-E477 PolarHBondContact O-N 3.14Å; I475-E477 PolarHBondContact O-N 3.14Å; E477-R481 PolarHBondContact O-NE 3.46Å; E477-R481 PolarHBondContact O-NH2 2.88Å
478	V	96.1	Very high	94.3	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.024	20%	0.199	C	C	.	.	H	α-helix	trans	-71.5	-49.1	174.4	176.3	0	0	0	0	110.5	E474 I475 Y476 T480 R481 I482 E509 L510	E474-V478 WeakPolarHBondContact O-CG2 3.39Å; E474-V478 PolarHBondContact O-N 2.98Å; E474-V478 VanDerWaalsContact O-N 3.11Å; I475-V478 PolarHBondContact O-N 2.86Å; Y476-V478 PolarHBondContact O-N 2.62Å; V478-T480 PolarHBondContact O-N 3.22Å; V478-R481 PolarHBondContact O-N 2.91Å; V478-R481 VanDerWaalsContact O-N 3.13Å; V478-I482 HydrophobicContact CG1-CD1 3.94Å; V478-I482 WeakPolarHBondContact O-CG1 3.44Å; V478-I482 PolarHBondContact O-N 2.86Å; V478-E509 HydrophobicContact CG1-CB 4.26Å; V478-E509 HydrophobicContact CG2-CB 3.73Å; V478-L510 HydrophobicContact CG1-CD2 3.68Å; V478-L510 HydrophobicContact CG1-CG 4.25Å
479	H	96	Very high	94.1	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.014	20%	0.202	C	C	.	.	H	α-helix	trans	-69.8	-32.6	-176.2	-81.4	-91.5	0	0	0	113.5	E431 Y434 V435 I475 Y476 R481 I482 K483 L510 Y514	E431-H479 WeakPolarHBondContact OE1-CB 3.15Å; E431-H479 IonicContact OE1-CE1 2.71Å; E431-H479 IonicContact OE1-CG 2.64Å; E431-H479 IonicContact OE1-ND1 2.65Å; E431-H479 PolarHBondContact OE1-ND1 3.33Å; E431-H479 IonicContact OE2-ND1 2.7Å; Y434-H479 HydrophobicContact CD1-CB 4.31Å; Y434-H479 AromaticContact CD1-ND1 3.72Å; Y434-H479 HydrophobicContact CE1-CB 4.09Å; Y434-H479 AromaticContact CE1-CD2 3.98Å; Y434-H479 AromaticContact CE1-CE1 3.83Å; Y434-H479 AromaticContact CE1-CG 3.56Å; Y434-H479 AromaticContact CE1-ND1 3.47Å; Y434-H479 WeakPolarHBondContact CE1-ND1 3.2Å; V435-H479 HydrophobicContact CG2-CB 3.93Å; I475-H479 WeakPolarHBondContact O-CB 3.34Å; I475-H479 PolarHBondContact O-CD2 3.01Å; I475-H479 VanDerWaalsContact O-CD2 3.26Å; I475-H479 PolarHBondContact O-N 2.66Å; Y476-H479 PolarHBondContact O-N 2.92Å; H479-R481 VanDerWaalsContact C-N 3.29Å; H479-R481 PolarHBondContact O-N 3.2Å; H479-I482 PolarHBondContact O-N 2.77Å; H479-K483 PolarHBondContact O-N 3.15Å; H479-L510 WeakPolarHBondContact NE2-CD2 3.47Å; H479-Y514 AromaticContact NE2-CE2 3.53Å; H479-Y514 AromaticContact NE2-CZ 3.73Å; H479-Y514 PolarHBondContact NE2-OH 3.35Å
480	T	96.8	Very high	93.9	Very high	31 Å²	31	41.6 Å²	41.6	19%	0.19	21%	0.209	C	C	.	.	H	α-helix	trans	-61.4	-37.8	170.2	-57.4	0	0	0	0	111.6	Y476 V478 K483 N484	Y476-T480 WeakPolarHBondContact CE2-OG1 3.35Å; Y476-T480 VanDerWaalsContact O-CB 3.27Å; Y476-T480 WeakPolarHBondContact O-CB 3.43Å; Y476-T480 PolarHBondContact O-N 2.86Å; Y476-T480 PolarHBondContact O-OG1 2.95Å; V478-T480 PolarHBondContact O-N 3.22Å; T480-K483 PolarHBondContact O-N 3.34Å; T480-N484 PolarHBondContact O-N 3.04Å; T480-N484 VanDerWaalsContact O-N 3.11Å; T480-N484 PolarHBondContact O-OD1 2.94Å; T480-N484 VanDerWaalsContact O-OD1 3.13Å
481	R	96.4	Very high	93.8	Very high	84 Å²	84	44.9 Å²	44.9	32%	0.317	22%	0.222	S	C	.	.	H	α-helix	trans	-71	-38.7	175.2	-75.1	177.4	-73	144.3	-1.8	112.3	E477 V478 H479 N484 D485 Y506 E509	E477-R481 PolarHBondContact O-NE 3.46Å; E477-R481 PolarHBondContact O-NH2 2.88Å; V478-R481 PolarHBondContact O-N 2.91Å; V478-R481 VanDerWaalsContact O-N 3.13Å; H479-R481 VanDerWaalsContact C-N 3.29Å; H479-R481 PolarHBondContact O-N 3.2Å; R481-N484 PolarHBondContact O-N 3.37Å; R481-D485 PolarHBondContact O-N 2.91Å; R481-Y506 HydrophobicContact CB-CE1 3.87Å; R481-E509 IonicContact CZ-OE1 2.6Å; R481-E509 IonicContact CZ-OE2 3.09Å; R481-E509 VanDerWaalsContact CZ-OE2 3.25Å; R481-E509 VanDerWaalsContact NH1-CD 3.26Å; R481-E509 IonicContact NH1-OE1 2.75Å; R481-E509 PolarHBondContact NH1-OE1 3.19Å; R481-E509 IonicContact NH1-OE2 3.57Å; R481-E509 PolarHBondContact NH1-OE2 3.35Å; R481-E509 IonicContact NH2-OE2 3.12Å; R481-E509 PolarHBondContact NH2-OE2 2.96Å
482	I	95	Very high	93.5	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-44.5	172	-65.5	167.2	0	0	0	110.9	E431 V478 H479 N484 L486 I503 Y506 L510	E431-I482 HydrophobicContact CG-CG2 4.25Å; V478-I482 HydrophobicContact CG1-CD1 3.94Å; V478-I482 WeakPolarHBondContact O-CG1 3.44Å; V478-I482 PolarHBondContact O-N 2.86Å; H479-I482 PolarHBondContact O-N 2.77Å; I482-N484 PolarHBondContact O-N 3.4Å; I482-L486 HydrophobicContact CG2-CD1 3.85Å; I482-L486 HydrophobicContact CG2-CG 4.44Å; I482-L486 WeakPolarHBondContact O-CB 3.22Å; I482-L486 VanDerWaalsContact O-CG 3.27Å; I482-L486 WeakPolarHBondContact O-CG 3.21Å; I482-L486 PolarHBondContact O-N 3.36Å; I482-I503 HydrophobicContact CG2-CD1 4.21Å; I482-Y506 HydrophobicContact CD1-CD2 4.43Å; I482-Y506 HydrophobicContact CD1-CG 4.38Å; I482-Y506 HydrophobicContact CG1-CD2 3.49Å; I482-Y506 VanDerWaalsContact CG1-CD2 3.49Å; I482-Y506 HydrophobicContact CG1-CE2 4.14Å; I482-Y506 HydrophobicContact CG1-CG 3.81Å; I482-L510 HydrophobicContact CD1-CD2 4.26Å
483	K	95.3	Very high	93	Very high	33 Å²	33	52 Å²	52	14%	0.143	26%	0.255	C	S	.	.	H	α-helix	trans	-55.8	-50.8	174.7	176.4	-174.1	172.5	167.5	0	111.6	Y428 E431 S432 V435 H479 T480 L486 E487	Y428-K483 HydrophobicContact CD2-CG 4.42Å; Y428-K483 HydrophobicContact CE2-CG 3.95Å; E431-K483 HydrophobicContact CG-CB 4.26Å; S432-K483 WeakPolarHBondContact OG-CE 3.47Å; S432-K483 PolarHBondContact OG-NZ 3.34Å; V435-K483 HydrophobicContact CB-CD 4.39Å; V435-K483 HydrophobicContact CG1-CD 4.33Å; V435-K483 HydrophobicContact CG2-CB 4.29Å; H479-K483 PolarHBondContact O-N 3.15Å; T480-K483 PolarHBondContact O-N 3.34Å; K483-L486 PolarHBondContact O-N 3.37Å; K483-E487 PolarHBondContact O-N 3.09Å
484	N	95.6	Very high	92.3	Very high	81 Å²	81	53.1 Å²	53.1	43%	0.433	26%	0.264	S	S	.	.	H	α-helix	trans	-65.4	-44.2	-175.4	-64.2	-1.9	0	0	0	111.9	T480 R481 I482 L486 E487 E488	T480-N484 PolarHBondContact O-N 3.04Å; T480-N484 VanDerWaalsContact O-N 3.11Å; T480-N484 PolarHBondContact O-OD1 2.94Å; T480-N484 VanDerWaalsContact O-OD1 3.13Å; R481-N484 PolarHBondContact O-N 3.37Å; I482-N484 PolarHBondContact O-N 3.4Å; N484-L486 VanDerWaalsContact C-N 3.3Å; N484-L486 PolarHBondContact O-N 3.04Å; N484-E487 WeakPolarHBondContact O-CB 3.35Å; N484-E487 PolarHBondContact O-N 3.45Å; N484-E488 PolarHBondContact O-N 3.28Å
485	D	94.3	Very high	91.3	Very high	34 Å²	34	54.2 Å²	54.2	18%	0.182	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-39.9	173.7	-88.6	35.5	0	0	0	111.8	R481 L489 I502 K505 Y506	R481-D485 PolarHBondContact O-N 2.91Å; D485-L489 WeakPolarHBondContact O-CB 3.36Å; D485-L489 PolarHBondContact O-N 2.95Å; D485-I502 HydrophobicContact CB-CD1 4.1Å; D485-I502 HydrophobicContact CB-CG1 4.21Å; D485-I502 HydrophobicContact CB-CG2 3.73Å; D485-K505 IonicContact OD1-NZ 3.49Å; D485-K505 PolarHBondContact OD1-NZ 3.02Å; D485-K505 VanDerWaalsContact OD1-NZ 3.09Å; D485-K505 WeakPolarHBondContact OD2-CD 3.49Å; D485-K505 IonicContact OD2-NZ 2.68Å; D485-K505 PolarHBondContact OD2-NZ 3.44Å; D485-Y506 PolarHBondContact OD1-OH 2.85Å; D485-Y506 WeakPolarHBondContact OD2-CE2 3.35Å; D485-Y506 PolarHBondContact OD2-OH 2.82Å
486	L	92.9	Very high	90.1	Very high	2 Å²	2	57 Å²	57	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-70.3	-31.7	176	-73.4	170.7	0	0	0	112.9	L427 Y428 E431 I482 K483 N484 L489 L490 V499 I502	L427-L486 HydrophobicContact CD2-CD1 4.47Å; L427-L486 HydrophobicContact CD2-CD2 4.37Å; L427-L486 HydrophobicContact CG-CD1 4.24Å; Y428-L486 HydrophobicContact CD2-CB 4.1Å; E431-L486 HydrophobicContact CB-CD1 4.43Å; E431-L486 HydrophobicContact CG-CD1 4.37Å; I482-L486 HydrophobicContact CG2-CD1 3.85Å; I482-L486 HydrophobicContact CG2-CG 4.44Å; I482-L486 WeakPolarHBondContact O-CB 3.22Å; I482-L486 VanDerWaalsContact O-CG 3.27Å; I482-L486 WeakPolarHBondContact O-CG 3.21Å; I482-L486 PolarHBondContact O-N 3.36Å; K483-L486 PolarHBondContact O-N 3.37Å; N484-L486 VanDerWaalsContact C-N 3.3Å; N484-L486 PolarHBondContact O-N 3.04Å; L486-L489 HydrophobicContact CD2-CD2 4.32Å; L486-L489 WeakPolarHBondContact O-CB 3.21Å; L486-L489 PolarHBondContact O-N 3.4Å; L486-L490 WeakPolarHBondContact O-CB 3.49Å; L486-L490 WeakPolarHBondContact O-CG 3.43Å; L486-L490 PolarHBondContact O-N 2.87Å; L486-V499 HydrophobicContact CD2-CG1 4.35Å; L486-I502 HydrophobicContact CD2-CD1 3.94Å; L486-I502 HydrophobicContact CG-CD1 4.39Å
487	E	93.8	Very high	89.3	Confident	82 Å²	82	57.7 Å²	57.7	38%	0.383	30%	0.301	S	S	.	.	H	α-helix	trans	-67.9	-44.5	175.8	-167.5	157.2	-124.1	0	0	111.6	Y428 K483 N484 L489 L490 T491	Y428-E487 HydrophobicContact CD2-CB 4.29Å; Y428-E487 HydrophobicContact CE2-CB 3.7Å; Y428-E487 HydrophobicContact CE2-CG 4.02Å; Y428-E487 PolarHBondContact OH-OE1 3.11Å; K483-E487 PolarHBondContact O-N 3.09Å; N484-E487 WeakPolarHBondContact O-CB 3.35Å; N484-E487 PolarHBondContact O-N 3.45Å; E487-L489 VanDerWaalsContact C-N 3.33Å; E487-L489 PolarHBondContact O-N 3.1Å; E487-L490 PolarHBondContact O-N 3.35Å; E487-T491 WeakPolarHBondContact O-CB 3.21Å; E487-T491 PolarHBondContact O-N 3.22Å; E487-T491 PolarHBondContact O-OG1 2.88Å
488	E	92.1	Very high	88.9	Confident	131 Å²	131	53.3 Å²	53.3	61%	0.612	28%	0.283	S	S	*	.	H	α-helix	trans	-62.8	-39.6	172.7	-169.5	-177.3	158.9	0	0	111.5	N484 L490 D492 R497	N484-E488 PolarHBondContact O-N 3.28Å; E488-L490 PolarHBondContact O-N 2.79Å; E488-D492 PolarHBondContact O-N 3.14Å; E488-R497 PolarHBondContact O-NH1 3.38Å
489	L	88.8	Confident	88.5	Confident	13 Å²	13	53.1 Å²	53.1	7%	0.068	28%	0.281	C	S	.	.	H	α-helix	trans	-61.7	-41.4	175.8	-167.9	88.5	0	0	0	112.8	D485 L486 E487 W493 R497 V499 I502	D485-L489 WeakPolarHBondContact O-CB 3.36Å; D485-L489 PolarHBondContact O-N 2.95Å; L486-L489 HydrophobicContact CD2-CD2 4.32Å; L486-L489 WeakPolarHBondContact O-CB 3.21Å; L486-L489 PolarHBondContact O-N 3.4Å; E487-L489 VanDerWaalsContact C-N 3.33Å; E487-L489 PolarHBondContact O-N 3.1Å; L489-W493 HydrophobicContact CD2-CE3 4.5Å; L489-W493 HydrophobicContact CD2-CZ3 3.99Å; L489-W493 HydrophobicContact CG-CE3 4.45Å; L489-W493 HydrophobicContact CG-CZ3 4.39Å; L489-W493 WeakPolarHBondContact O-CA 3.3Å; L489-W493 PolarHBondContact O-N 3.33Å; L489-R497 HydrophobicContact CD1-CB 3.71Å; L489-R497 HydrophobicContact CD1-CG 4.44Å; L489-V499 HydrophobicContact CD2-CB 4.44Å; L489-V499 HydrophobicContact CD2-CG2 3.76Å; L489-I502 HydrophobicContact CB-CD1 4.09Å; L489-I502 HydrophobicContact CD1-CD1 4.05Å; L489-I502 HydrophobicContact CD2-CD1 4.01Å; L489-I502 HydrophobicContact CG-CD1 4.28Å
490	L	88	Confident	88.2	Confident	29 Å²	29	53 Å²	53	15%	0.152	28%	0.281	C	S	.	.	H	α-helix	trans	-83.2	-26.3	-177.6	-73.8	168.8	0	0	0	113.7	K425 Y428 L486 E487 E488 W493	K425-L490 HydrophobicContact CB-CD1 4.47Å; K425-L490 HydrophobicContact CB-CD2 4.37Å; Y428-L490 HydrophobicContact CD1-CD1 4.05Å; Y428-L490 HydrophobicContact CD2-CD1 4.45Å; Y428-L490 HydrophobicContact CG-CD1 3.68Å; L486-L490 WeakPolarHBondContact O-CB 3.49Å; L486-L490 WeakPolarHBondContact O-CG 3.43Å; L486-L490 PolarHBondContact O-N 2.87Å; E487-L490 PolarHBondContact O-N 3.35Å; E488-L490 PolarHBondContact O-N 2.79Å; L490-W493 HydrophobicContact CD2-CE3 3.95Å; L490-W493 HydrophobicContact CD2-CZ3 4.22Å
491	T	87.2	Confident	87.9	Confident	107 Å²	107	55 Å²	55	66%	0.656	29%	0.29	S	S	*	.	H	α-helix	trans	-66.4	-52.1	177.1	-60.8	0	0	0	0	110.6	E487 W493	E487-T491 WeakPolarHBondContact O-CB 3.21Å; E487-T491 PolarHBondContact O-N 3.22Å; E487-T491 PolarHBondContact O-OG1 2.88Å; T491-W493 PolarHBondContact O-N 2.92Å
492	D	84.1	Confident	87.7	Confident	103 Å²	103	51.6 Å²	51.6	55%	0.551	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	48.3	176.7	-76.4	-11.4	0	0	0	111.3	E488 S494 R497	E488-D492 PolarHBondContact O-N 3.14Å; D492-S494 PolarHBondContact O-N 3.28Å; D492-R497 VanDerWaalsContact CB-CZ 3.48Å; D492-R497 VanDerWaalsContact O-CZ 3.26Å; D492-R497 PolarHBondContact O-NE 2.92Å; D492-R497 IonicContact OD2-NH2 2.66Å
493	W	83.3	Confident	87.6	Confident	53 Å²	53	51.7 Å²	51.7	20%	0.201	28%	0.279	C	S	.	.			trans	-61.6	130.4	-174.2	179.5	-95.6	0	0	0	113.1	R420 W421 S424 L489 L490 T491 V499	R420-W493 HydrophobicContact CG-CZ2 4.39Å; W421-W493 HydrophobicContact CB-CZ2 4.09Å; W421-W493 AromaticContact CD1-CD1 3.66Å; W421-W493 AromaticContact CD1-CD2 3.57Å; W421-W493 AromaticContact CD1-CE2 3.77Å; W421-W493 AromaticContact CD1-CG 3.48Å; W421-W493 VanDerWaalsContact CD1-CG 3.48Å; W421-W493 AromaticContact CD1-NE1 3.82Å; W421-W493 HydrophobicContact CG-CD2 4.49Å; S424-W493 WeakPolarHBondContact OG-CH2 3.37Å; L489-W493 HydrophobicContact CD2-CE3 4.5Å; L489-W493 HydrophobicContact CD2-CZ3 3.99Å; L489-W493 HydrophobicContact CG-CE3 4.45Å; L489-W493 HydrophobicContact CG-CZ3 4.39Å; L489-W493 WeakPolarHBondContact O-CA 3.3Å; L489-W493 PolarHBondContact O-N 3.33Å; L490-W493 HydrophobicContact CD2-CE3 3.95Å; L490-W493 HydrophobicContact CD2-CZ3 4.22Å; T491-W493 PolarHBondContact O-N 2.92Å; W493-V499 HydrophobicContact CH2-CG2 4.39Å; W493-V499 HydrophobicContact CZ3-CG2 4.37Å
494	S	80.9	Confident	87.5	Confident	59 Å²	59	51.8 Å²	51.8	41%	0.413	28%	0.281	S	S	.	.			trans	-143.7	151.2	163.7	74.8	0	0	0	0	110.2	D492 G496 R497	D492-S494 PolarHBondContact O-N 3.28Å; S494-G496 PolarHBondContact O-N 3.14Å; S494-R497 PolarHBondContact O-N 2.85Å
495	E	74.1	Confident	87.4	Confident	106 Å²	106	53.6 Å²	53.6	50%	0.495	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-8.8	-174.9	-54.6	-159.4	138.3	0	0	113.4	S418 R420 N585	S418-E495 VanDerWaalsContact CB-OE1 3.31Å; S418-E495 WeakPolarHBondContact CB-OE1 3.47Å; S418-E495 PolarHBondContact OG-OE1 3.48Å; R420-E495 PolarHBondContact NH1-O 3.45Å; E495-N585 PolarHBondContact O-ND2 3.07Å
496	G	69.8	Low	87.5	Confident	59 Å²	59	52.5 Å²	52.5	61%	0.608	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-10.9	171	0	0	0	0	0	115.1	S494	S494-G496 PolarHBondContact O-N 3.14Å
497	R	80.1	Confident	87.4	Confident	77 Å²	77	53 Å²	53	29%	0.291	28%	0.282	S	S	.	.	S	Bend	trans	-75.7	153.4	174.4	-66.4	-168.6	178.2	-156.1	-0.3	110.9	R420 E488 L489 D492 S494	R420-R497 PolarHBondContact NH2-O 2.9Å; E488-R497 PolarHBondContact O-NH1 3.38Å; L489-R497 HydrophobicContact CD1-CB 3.71Å; L489-R497 HydrophobicContact CD1-CG 4.44Å; D492-R497 VanDerWaalsContact CB-CZ 3.48Å; D492-R497 VanDerWaalsContact O-CZ 3.26Å; D492-R497 PolarHBondContact O-NE 2.92Å; D492-R497 IonicContact OD2-NH2 2.66Å; S494-R497 PolarHBondContact O-N 2.85Å
498	S	85.6	Confident	87.3	Confident	24 Å²	24	57.6 Å²	57.6	17%	0.168	30%	0.301	C	S	.	.			trans	-108.4	122.2	-173.3	177.9	0	0	0	0	110.7	D501 D587 T590	S498-D501 WeakPolarHBondContact CB-OD2 3.46Å; S498-D501 WeakPolarHBondContact OG-CB 3.48Å; S498-D501 PolarHBondContact OG-N 2.98Å; S498-D501 PolarHBondContact OG-OD2 2.96Å; S498-D587 VanDerWaalsContact CA-OD1 3.23Å; S498-D587 WeakPolarHBondContact CA-OD1 3.46Å; S498-D587 PolarHBondContact OG-OD1 3.35Å; S498-D587 VanDerWaalsContact OG-OD1 3.13Å; S498-T590 PolarHBondContact OG-OG1 3.4Å
499	V	88.4	Confident	87.3	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-81.4	-34.9	170.1	-175.9	0	0	0	0	109.3	L427 L486 L489 W493 D501 I502 L574 I577 D587 L591	L427-V499 HydrophobicContact CD2-CG1 3.96Å; L486-V499 HydrophobicContact CD2-CG1 4.35Å; L489-V499 HydrophobicContact CD2-CB 4.44Å; L489-V499 HydrophobicContact CD2-CG2 3.76Å; W493-V499 HydrophobicContact CH2-CG2 4.39Å; W493-V499 HydrophobicContact CZ3-CG2 4.37Å; V499-D501 VanDerWaalsContact C-N 3.33Å; V499-D501 PolarHBondContact O-N 2.76Å; V499-I502 PolarHBondContact O-N 3.41Å; V499-L574 HydrophobicContact CG1-CD2 4.1Å; V499-I577 HydrophobicContact CG1-CD1 4.11Å; V499-I577 HydrophobicContact CG2-CG2 4.46Å; V499-D587 PolarHBondContact N-OD1 3.44Å; V499-D587 PolarHBondContact N-OD2 3.12Å; V499-L591 HydrophobicContact CB-CD2 4.17Å
500	G	89.4	Confident	87.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.4	-37.8	-177.9	0	0	0	0	0	113.4	I502 I503 L504 D587	G500-I502 VanDerWaalsContact C-N 3.34Å; G500-I502 PolarHBondContact O-N 3.12Å; G500-I503 PolarHBondContact O-N 3.25Å; G500-L504 WeakPolarHBondContact O-CG 3.48Å; G500-L504 PolarHBondContact O-N 3.26Å; G500-D587 PolarHBondContact N-OD1 3.21Å
501	D	90.8	Very high	87.5	Confident	73 Å²	73	54.9 Å²	54.9	39%	0.39	29%	0.29	S	S	.	.	H	α-helix	trans	-69	-28.2	-177.5	-69.5	-47.8	0	0	0	113.8	S498 V499 L504 K505 T590	S498-D501 WeakPolarHBondContact CB-OD2 3.46Å; S498-D501 WeakPolarHBondContact OG-CB 3.48Å; S498-D501 PolarHBondContact OG-N 2.98Å; S498-D501 PolarHBondContact OG-OD2 2.96Å; V499-D501 VanDerWaalsContact C-N 3.33Å; V499-D501 PolarHBondContact O-N 2.76Å; D501-L504 PolarHBondContact O-N 2.78Å; D501-K505 VanDerWaalsContact O-CB 3.29Å; D501-K505 WeakPolarHBondContact O-CB 3.23Å; D501-K505 PolarHBondContact O-N 3.35Å; D501-T590 WeakPolarHBondContact OD1-CG2 3.49Å; D501-T590 WeakPolarHBondContact OD2-CG2 3Å
502	I	92.7	Very high	87.7	Confident	14 Å²	14	56.9 Å²	56.9	7%	0.072	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-47	173	-63.8	170.5	0	0	0	109.7	D485 L486 L489 V499 G500 L504 K505 Y506	D485-I502 HydrophobicContact CB-CD1 4.1Å; D485-I502 HydrophobicContact CB-CG1 4.21Å; D485-I502 HydrophobicContact CB-CG2 3.73Å; L486-I502 HydrophobicContact CD2-CD1 3.94Å; L486-I502 HydrophobicContact CG-CD1 4.39Å; L489-I502 HydrophobicContact CB-CD1 4.09Å; L489-I502 HydrophobicContact CD1-CD1 4.05Å; L489-I502 HydrophobicContact CD2-CD1 4.01Å; L489-I502 HydrophobicContact CG-CD1 4.28Å; V499-I502 PolarHBondContact O-N 3.41Å; G500-I502 VanDerWaalsContact C-N 3.34Å; G500-I502 PolarHBondContact O-N 3.12Å; I502-L504 PolarHBondContact O-N 3.19Å; I502-K505 WeakPolarHBondContact O-CB 3.31Å; I502-K505 PolarHBondContact O-N 3.23Å; I502-Y506 HydrophobicContact CG2-CD2 4.24Å; I502-Y506 HydrophobicContact CG2-CE2 4.21Å; I502-Y506 WeakPolarHBondContact O-CD2 3.35Å; I502-Y506 PolarHBondContact O-N 3.01Å
503	I	92.7	Very high	88.1	Confident	6 Å²	6	52.1 Å²	52.1	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-68.9	-37	179.8	-56.8	-58.5	0	0	0	111.1	I482 G500 K505 Y506 S507 L574 A594 L598	I482-I503 HydrophobicContact CG2-CD1 4.21Å; G500-I503 PolarHBondContact O-N 3.25Å; I503-K505 VanDerWaalsContact C-N 3.35Å; I503-K505 PolarHBondContact O-N 3.44Å; I503-Y506 PolarHBondContact O-N 3.12Å; I503-S507 PolarHBondContact O-N 3.27Å; I503-L574 HydrophobicContact CG1-CD1 4.11Å; I503-L574 HydrophobicContact CG1-CD2 4.09Å; I503-L574 HydrophobicContact CG2-CD1 4.15Å; I503-A594 HydrophobicContact CB-CB 4.09Å; I503-A594 HydrophobicContact CG2-CB 4.18Å; I503-L598 HydrophobicContact CG2-CD1 3.76Å
504	L	93	Very high	88.5	Confident	35 Å²	35	49.7 Å²	49.7	18%	0.183	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-31.5	174.2	-72.2	170.2	0	0	0	113.5	G500 D501 I502 S507 R593 A594	G500-L504 WeakPolarHBondContact O-CG 3.48Å; G500-L504 PolarHBondContact O-N 3.26Å; D501-L504 PolarHBondContact O-N 2.78Å; I502-L504 PolarHBondContact O-N 3.19Å; L504-S507 PolarHBondContact O-OG 2.76Å; L504-R593 HydrophobicContact CD1-CB 4.03Å; L504-R593 HydrophobicContact CD2-CB 4.22Å; L504-A594 HydrophobicContact CD2-CB 4.49Å; L504-A594 HydrophobicContact CG-CB 4.09Å
505	K	94.3	Very high	89	Confident	118 Å²	118	47 Å²	47	51%	0.513	24%	0.237	S	C	.	.	H	α-helix	trans	-62.3	-42.5	173.9	174.2	-173.6	175.3	-168	0	111.2	D485 D501 I502 I503	D485-K505 IonicContact OD1-NZ 3.49Å; D485-K505 PolarHBondContact OD1-NZ 3.02Å; D485-K505 VanDerWaalsContact OD1-NZ 3.09Å; D485-K505 WeakPolarHBondContact OD2-CD 3.49Å; D485-K505 IonicContact OD2-NZ 2.68Å; D485-K505 PolarHBondContact OD2-NZ 3.44Å; D501-K505 VanDerWaalsContact O-CB 3.29Å; D501-K505 WeakPolarHBondContact O-CB 3.23Å; D501-K505 PolarHBondContact O-N 3.35Å; I502-K505 WeakPolarHBondContact O-CB 3.31Å; I502-K505 PolarHBondContact O-N 3.23Å; I503-K505 VanDerWaalsContact C-N 3.35Å; I503-K505 PolarHBondContact O-N 3.44Å
506	Y	94.5	Very high	89.8	Confident	11 Å²	11	44.8 Å²	44.8	4%	0.043	23%	0.231	C	C	.	.	H	α-helix	trans	-96	-7.8	-175.3	-64.9	-68.2	0	0	0	115.6	R481 I482 D485 I502 I503 K508 E509 L510	R481-Y506 HydrophobicContact CB-CE1 3.87Å; I482-Y506 HydrophobicContact CD1-CD2 4.43Å; I482-Y506 HydrophobicContact CD1-CG 4.38Å; I482-Y506 HydrophobicContact CG1-CD2 3.49Å; I482-Y506 VanDerWaalsContact CG1-CD2 3.49Å; I482-Y506 HydrophobicContact CG1-CE2 4.14Å; I482-Y506 HydrophobicContact CG1-CG 3.81Å; D485-Y506 PolarHBondContact OD1-OH 2.85Å; D485-Y506 WeakPolarHBondContact OD2-CE2 3.35Å; D485-Y506 PolarHBondContact OD2-OH 2.82Å; I502-Y506 HydrophobicContact CG2-CD2 4.24Å; I502-Y506 HydrophobicContact CG2-CE2 4.21Å; I502-Y506 WeakPolarHBondContact O-CD2 3.35Å; I502-Y506 PolarHBondContact O-N 3.01Å; I503-Y506 PolarHBondContact O-N 3.12Å; Y506-K508 VanDerWaalsContact C-N 3.28Å; Y506-K508 PolarHBondContact O-N 3Å; Y506-K508 VanDerWaalsContact O-N 3.15Å; Y506-E509 WeakPolarHBondContact O-CA 3.4Å; Y506-E509 WeakPolarHBondContact O-CB 3.36Å; Y506-E509 PolarHBondContact O-N 3.02Å; Y506-L510 PolarHBondContact O-N 2.86Å
507	S	91.9	Very high	90.8	Very high	13 Å²	13	42 Å²	42	9%	0.091	20%	0.202	C	C	.	.	H	α-helix	trans	-53.8	-40.3	-174.3	68.3	0	0	0	0	114.1	I503 L504 E509 L510 V511 S597	I503-S507 PolarHBondContact O-N 3.27Å; L504-S507 PolarHBondContact O-OG 2.76Å; S507-E509 VanDerWaalsContact C-N 3.28Å; S507-E509 PolarHBondContact O-N 3.13Å; S507-L510 WeakPolarHBondContact O-CB 3.45Å; S507-L510 PolarHBondContact O-N 2.65Å; S507-V511 WeakPolarHBondContact O-CG2 3.27Å; S507-V511 PolarHBondContact O-N 2.81Å; S507-S597 WeakPolarHBondContact CB-OG 3.41Å; S507-S597 PolarHBondContact OG-OG 3.01Å
508	K	91.3	Very high	91.2	Very high	178 Å²	178	39.3 Å²	39.3	77%	0.774	19%	0.194	S	C	*	.	H	α-helix	trans	-62.8	-31.8	176.3	-64.5	178.5	-177.9	174.8	0	113.5	Y506 K512	Y506-K508 VanDerWaalsContact C-N 3.28Å; Y506-K508 PolarHBondContact O-N 3Å; Y506-K508 VanDerWaalsContact O-N 3.15Å; K508-K512 PolarHBondContact O-N 3.2Å
509	E	92.9	Very high	91.3	Very high	69 Å²	69	39.1 Å²	39.1	32%	0.322	19%	0.191	S	C	.	.	H	α-helix	trans	-78.8	-36.9	177.2	-57.1	-167.4	-127.7	0	0	110.7	V478 R481 Y506 S507 K512 A513	V478-E509 HydrophobicContact CG1-CB 4.26Å; V478-E509 HydrophobicContact CG2-CB 3.73Å; R481-E509 IonicContact CZ-OE1 2.6Å; R481-E509 IonicContact CZ-OE2 3.09Å; R481-E509 VanDerWaalsContact CZ-OE2 3.25Å; R481-E509 VanDerWaalsContact NH1-CD 3.26Å; R481-E509 IonicContact NH1-OE1 2.75Å; R481-E509 PolarHBondContact NH1-OE1 3.19Å; R481-E509 IonicContact NH1-OE2 3.57Å; R481-E509 PolarHBondContact NH1-OE2 3.35Å; R481-E509 IonicContact NH2-OE2 3.12Å; R481-E509 PolarHBondContact NH2-OE2 2.96Å; Y506-E509 WeakPolarHBondContact O-CA 3.4Å; Y506-E509 WeakPolarHBondContact O-CB 3.36Å; Y506-E509 PolarHBondContact O-N 3.02Å; S507-E509 VanDerWaalsContact C-N 3.28Å; S507-E509 PolarHBondContact O-N 3.13Å; E509-K512 PolarHBondContact O-N 3.03Å; E509-K512 VanDerWaalsContact O-N 3.12Å; E509-A513 WeakPolarHBondContact O-CB 3.31Å; E509-A513 PolarHBondContact O-N 2.84Å
510	L	91.1	Very high	91.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-45	172.2	-61.7	174	0	0	0	111.8	V478 H479 I482 Y506 S507 K512 A513 Y514 L567 L598 V601	V478-L510 HydrophobicContact CG1-CD2 3.68Å; V478-L510 HydrophobicContact CG1-CG 4.25Å; H479-L510 WeakPolarHBondContact NE2-CD2 3.47Å; I482-L510 HydrophobicContact CD1-CD2 4.26Å; Y506-L510 PolarHBondContact O-N 2.86Å; S507-L510 WeakPolarHBondContact O-CB 3.45Å; S507-L510 PolarHBondContact O-N 2.65Å; L510-K512 PolarHBondContact O-N 3.11Å; L510-A513 PolarHBondContact O-N 2.87Å; L510-Y514 HydrophobicContact CB-CD2 4.46Å; L510-Y514 HydrophobicContact CD2-CD2 4.2Å; L510-Y514 HydrophobicContact CD2-CE2 3.76Å; L510-Y514 WeakPolarHBondContact O-CB 3.21Å; L510-Y514 PolarHBondContact O-N 2.97Å; L510-L567 HydrophobicContact CD1-CD2 4.31Å; L510-L567 HydrophobicContact CD2-CD2 4.41Å; L510-L598 HydrophobicContact CD1-CD1 4.14Å; L510-V601 HydrophobicContact CB-CG1 4.28Å
511	V	90.3	Very high	91.3	Very high	46 Å²	46	44.9 Å²	44.9	28%	0.279	22%	0.217	S	C	.	.	H	α-helix	trans	-57.2	-32.8	174.2	174.3	0	0	0	0	112.3	S507 P515 V601	S507-V511 WeakPolarHBondContact O-CG2 3.27Å; S507-V511 PolarHBondContact O-N 2.81Å; V511-P515 WeakPolarHBondContact O-CD 3.39Å; V511-P515 VanDerWaalsContact O-CG 3.26Å; V511-P515 WeakPolarHBondContact O-CG 3.36Å; V511-V601 HydrophobicContact CG2-CB 4.07Å; V511-V601 HydrophobicContact CG2-CG1 4.08Å; V511-V601 HydrophobicContact CG2-CG2 3.42Å; V511-V601 VanDerWaalsContact CG2-CG2 3.42Å
512	K	90.9	Very high	91.1	Very high	149 Å²	149	45.3 Å²	45.3	65%	0.648	22%	0.216	S	C	*	.	H	α-helix	trans	-82.2	-47.2	-179.1	-172.6	-167.5	168.8	-153	0	112.7	K508 E509 L510 P516	K508-K512 PolarHBondContact O-N 3.2Å; E509-K512 PolarHBondContact O-N 3.03Å; E509-K512 VanDerWaalsContact O-N 3.12Å; L510-K512 PolarHBondContact O-N 3.11Å; K512-P516 VanDerWaalsContact O-CD 3.26Å; K512-P516 WeakPolarHBondContact O-CD 3.35Å
513	A	92.3	Very high	90.9	Very high	2 Å²	2	48.1 Å²	48.1	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-76.5	-31.2	-169.9	0	0	0	0	0	113.6	S471 E474 I475 E509 L510	S471-A513 PolarHBondContact OG-O 2.92Å; E474-A513 HydrophobicContact CB-CB 4.05Å; I475-A513 HydrophobicContact CG1-CB 3.96Å; E509-A513 WeakPolarHBondContact O-CB 3.31Å; E509-A513 PolarHBondContact O-N 2.84Å; L510-A513 PolarHBondContact O-N 2.87Å
514	Y	92.1	Very high	90.9	Very high	2 Å²	2	48 Å²	48	1%	0.008	23%	0.229	C	C	.	.	S	Bend	trans	-78.9	-47.6	-171.5	-90.3	-94.2	0	0	0	116.2	Y434 I475 H479 L510 F517 V518 P563 L567 I605	Y434-Y514 PolarHBondContact OH-OH 2.88Å; Y434-Y514 VanDerWaalsContact OH-OH 3.1Å; I475-Y514 HydrophobicContact CD1-CD1 4.34Å; I475-Y514 HydrophobicContact CD1-CE1 4.35Å; I475-Y514 HydrophobicContact CD1-CG 4.44Å; I475-Y514 HydrophobicContact CG1-CD2 4.34Å; I475-Y514 HydrophobicContact CG1-CE2 4.27Å; I475-Y514 HydrophobicContact CG2-CE2 3.99Å; H479-Y514 AromaticContact NE2-CE2 3.53Å; H479-Y514 AromaticContact NE2-CZ 3.73Å; H479-Y514 PolarHBondContact NE2-OH 3.35Å; L510-Y514 HydrophobicContact CB-CD2 4.46Å; L510-Y514 HydrophobicContact CD2-CD2 4.2Å; L510-Y514 HydrophobicContact CD2-CE2 3.76Å; L510-Y514 WeakPolarHBondContact O-CB 3.21Å; L510-Y514 PolarHBondContact O-N 2.97Å; Y514-F517 PolarHBondContact O-N 2.84Å; Y514-V518 HydrophobicContact CD1-CG2 4.29Å; Y514-V518 WeakPolarHBondContact O-CG2 3.37Å; Y514-V518 PolarHBondContact O-N 2.98Å; Y514-P563 HydrophobicContact CE1-CB 4.01Å; Y514-P563 WeakPolarHBondContact CE1-O 3.23Å; Y514-L567 HydrophobicContact CD1-CD1 3.79Å; Y514-L567 HydrophobicContact CD1-CG 4.3Å; Y514-L567 HydrophobicContact CD2-CD1 4.07Å; Y514-L567 HydrophobicContact CE1-CD1 3.94Å; Y514-L567 HydrophobicContact CE1-CG 3.93Å; Y514-L567 HydrophobicContact CE2-CD1 4.21Å; Y514-L567 HydrophobicContact CE2-CD2 4.1Å; Y514-L567 HydrophobicContact CE2-CG 4.28Å; Y514-L567 HydrophobicContact CG-CD1 3.85Å; Y514-I605 HydrophobicContact CD1-CD1 4.44Å; Y514-I605 HydrophobicContact CG-CD1 4.23Å
515	P	90.9	Very high	90.7	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-57.1	-42.7	-177.5	-19.1	27.7	0	0	0	114	V511 F517 V518 N519 I605 D608	V511-P515 WeakPolarHBondContact O-CD 3.39Å; V511-P515 VanDerWaalsContact O-CG 3.26Å; V511-P515 WeakPolarHBondContact O-CG 3.36Å; P515-F517 PolarHBondContact O-N 3.08Å; P515-F517 VanDerWaalsContact O-N 3.08Å; P515-V518 PolarHBondContact O-N 3.49Å; P515-N519 VanDerWaalsContact O-CB 3.31Å; P515-N519 WeakPolarHBondContact O-CB 3.48Å; P515-N519 PolarHBondContact O-N 3.28Å; P515-N519 PolarHBondContact O-OD1 2.66Å; P515-N519 VanDerWaalsContact O-OD1 3.13Å; P515-I605 HydrophobicContact CG-CG1 3.9Å; P515-D608 HydrophobicContact CB-CB 4.4Å; P515-D608 VanDerWaalsContact CB-OD2 3.31Å; P515-D608 WeakPolarHBondContact CB-OD2 3.38Å
516	P	89.7	Confident	90.5	Very high	58 Å²	58	50.1 Å²	50.1	38%	0.377	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-17.9	175.6	-23.7	34.9	0	0	0	115	K512 F520	K512-P516 VanDerWaalsContact O-CD 3.26Å; K512-P516 WeakPolarHBondContact O-CD 3.35Å; P516-F520 WeakPolarHBondContact O-CD2 3.39Å
517	F	91.3	Very high	90.4	Very high	2 Å²	2	50 Å²	50	1%	0.009	24%	0.239	C	C	.	.	H	α-helix	trans	-89.9	-53.1	170	-178.1	-108.6	0	0	0	111.5	S471 I472 I475 Y514 P515 N519 F520 F521 L560 P563 V564	S471-F517 WeakPolarHBondContact OG-CB 3.48Å; S471-F517 PolarHBondContact OG-N 2.93Å; I472-F517 HydrophobicContact CD1-CD2 3.98Å; I472-F517 HydrophobicContact CD1-CE1 4.19Å; I472-F517 HydrophobicContact CD1-CE2 3.62Å; I472-F517 HydrophobicContact CD1-CG 4.42Å; I472-F517 HydrophobicContact CD1-CZ 3.74Å; I472-F517 HydrophobicContact CG1-CD2 3.82Å; I472-F517 HydrophobicContact CG1-CE2 3.58Å; I472-F517 HydrophobicContact CG1-CZ 4.22Å; I475-F517 HydrophobicContact CD1-CB 3.84Å; I475-F517 HydrophobicContact CD1-CD1 4.23Å; I475-F517 HydrophobicContact CD1-CG 4.1Å; Y514-F517 PolarHBondContact O-N 2.84Å; P515-F517 PolarHBondContact O-N 3.08Å; P515-F517 VanDerWaalsContact O-N 3.08Å; F517-N519 PolarHBondContact O-N 2.73Å; F517-F520 PolarHBondContact O-N 2.99Å; F517-F521 HydrophobicContact CE1-CD2 4.09Å; F517-F521 AromaticContact CZ-CD2 3.81Å; F517-F521 HydrophobicContact CZ-CD2 3.81Å; F517-F521 HydrophobicContact CZ-CE2 4.48Å; F517-F521 PolarHBondContact O-N 3.26Å; F517-L560 WeakPolarHBondContact CE1-O 3.34Å; F517-L560 HydrophobicContact CE2-CD2 4.23Å; F517-L560 HydrophobicContact CZ-CB 4.27Å; F517-L560 HydrophobicContact CZ-CD2 4.17Å; F517-L560 VanDerWaalsContact CZ-O 3.26Å; F517-L560 WeakPolarHBondContact CZ-O 3.24Å; F517-P563 HydrophobicContact CD1-CB 4.06Å; F517-P563 HydrophobicContact CD1-CG 4.43Å; F517-P563 HydrophobicContact CE1-CB 3.86Å; F517-P563 HydrophobicContact CE1-CG 3.88Å; F517-P563 HydrophobicContact CZ-CG 4.42Å; F517-V564 HydrophobicContact CE1-CG2 4.06Å
518	V	90	Very high	90.4	Very high	19 Å²	19	49.8 Å²	49.8	12%	0.115	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-36.9	-172.2	178.1	0	0	0	0	112.4	Y514 P515 F520 I605	Y514-V518 HydrophobicContact CD1-CG2 4.29Å; Y514-V518 WeakPolarHBondContact O-CG2 3.37Å; Y514-V518 PolarHBondContact O-N 2.98Å; P515-V518 PolarHBondContact O-N 3.49Å; V518-F520 VanDerWaalsContact C-N 3.26Å; V518-F520 PolarHBondContact O-N 3.33Å; V518-I605 HydrophobicContact CB-CG2 3.82Å; V518-I605 HydrophobicContact CG1-CG2 3.63Å; V518-I605 HydrophobicContact CG2-CG2 4.06Å
519	N	87.3	Confident	90.4	Very high	20 Å²	20	45.7 Å²	45.7	11%	0.107	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.8	-179.8	-57.9	1.4	0	0	0	112.2	P515 F517 D608 K609 T612	P515-N519 VanDerWaalsContact O-CB 3.31Å; P515-N519 WeakPolarHBondContact O-CB 3.48Å; P515-N519 PolarHBondContact O-N 3.28Å; P515-N519 PolarHBondContact O-OD1 2.66Å; P515-N519 VanDerWaalsContact O-OD1 3.13Å; F517-N519 PolarHBondContact O-N 2.73Å; N519-D608 PolarHBondContact ND2-OD2 3.46Å; N519-K609 WeakPolarHBondContact OD1-CA 3.46Å; N519-K609 WeakPolarHBondContact OD1-CB 3.49Å; N519-K609 PolarHBondContact OD1-N 3.42Å; N519-T612 HydrophobicContact CB-CG2 4.11Å; N519-T612 PolarHBondContact ND2-OG1 2.71Å
520	F	87.8	Confident	90.3	Very high	108 Å²	108	46.7 Å²	46.7	47%	0.474	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-4.6	-177.1	-66.7	-83.3	0	0	0	113.6	P516 F517 V518 E522 M523 S524 T612	P516-F520 WeakPolarHBondContact O-CD2 3.39Å; F517-F520 PolarHBondContact O-N 2.99Å; V518-F520 VanDerWaalsContact C-N 3.26Å; V518-F520 PolarHBondContact O-N 3.33Å; F520-E522 VanDerWaalsContact C-N 3.32Å; F520-E522 PolarHBondContact O-N 2.98Å; F520-M523 CarbonylContact O-C 3.57Å; F520-M523 WeakPolarHBondContact O-CA 3.33Å; F520-M523 VanDerWaalsContact O-CB 3.29Å; F520-M523 WeakPolarHBondContact O-CB 3.41Å; F520-M523 PolarHBondContact O-N 3.36Å; F520-S524 PolarHBondContact O-N 3.39Å; F520-S524 PolarHBondContact O-OG 2.95Å; F520-T612 HydrophobicContact CZ-CG2 4.22Å
521	F	89.5	Confident	90.2	Very high	14 Å²	14	46.6 Å²	46.6	6%	0.061	23%	0.227	C	C	.	.	H	α-helix	trans	-51.9	-42.5	-175.8	173.7	-101.2	0	0	0	114.4	F517 S524 K525 L560 I561 V564	F517-F521 HydrophobicContact CE1-CD2 4.09Å; F517-F521 AromaticContact CZ-CD2 3.81Å; F517-F521 HydrophobicContact CZ-CD2 3.81Å; F517-F521 HydrophobicContact CZ-CE2 4.48Å; F517-F521 PolarHBondContact O-N 3.26Å; F521-S524 WeakPolarHBondContact O-CB 3.42Å; F521-S524 PolarHBondContact O-N 3.26Å; F521-K525 HydrophobicContact CE1-CD 4.09Å; F521-K525 HydrophobicContact CZ-CD 4.33Å; F521-K525 WeakPolarHBondContact O-CB 3.47Å; F521-K525 PolarHBondContact O-N 2.94Å; F521-L560 HydrophobicContact CE2-CB 4Å; F521-L560 WeakPolarHBondContact CE2-O 3.19Å; F521-I561 HydrophobicContact CD1-CD1 4.39Å; F521-I561 HydrophobicContact CE1-CD1 3.53Å; F521-I561 HydrophobicContact CE2-CD1 4.34Å; F521-I561 HydrophobicContact CZ-CB 4.08Å; F521-I561 HydrophobicContact CZ-CD1 3.5Å; F521-I561 HydrophobicContact CZ-CG1 4.37Å; F521-V564 HydrophobicContact CD2-CG2 4.36Å; F521-V564 HydrophobicContact CG-CG2 4.33Å
522	E	87.7	Confident	90.2	Very high	82 Å²	82	47.2 Å²	47.2	38%	0.383	23%	0.227	S	C	.	.	H	α-helix	trans	-68.2	-34.8	177	-66.8	-61.9	148.6	0	0	111.9	F520 K525 E526	F520-E522 VanDerWaalsContact C-N 3.32Å; F520-E522 PolarHBondContact O-N 2.98Å; E522-K525 VanDerWaalsContact CD-NZ 3.28Å; E522-K525 PolarHBondContact O-N 2.85Å; E522-K525 IonicContact OE1-NZ 2.89Å; E522-K525 PolarHBondContact OE1-NZ 3.37Å; E522-K525 WeakPolarHBondContact OE2-CD 3.46Å; E522-K525 WeakPolarHBondContact OE2-CE 3.41Å; E522-K525 IonicContact OE2-NZ 2.67Å; E522-K525 PolarHBondContact OE2-NZ 3.33Å; E522-E526 WeakPolarHBondContact O-CB 3.42Å; E522-E526 WeakPolarHBondContact O-CG 3.42Å; E522-E526 PolarHBondContact O-N 3.06Å
523	M	88.2	Confident	90	Very high	73 Å²	73	49.1 Å²	49.1	36%	0.36	24%	0.235	S	C	.	.	H	α-helix	trans	-67.6	-37	171.7	-178.6	62.6	64.7	0	0	111.8	T467 F520 T527	T467-M523 HydrophobicContact CG2-CG 3.75Å; F520-M523 CarbonylContact O-C 3.57Å; F520-M523 WeakPolarHBondContact O-CA 3.33Å; F520-M523 VanDerWaalsContact O-CB 3.29Å; F520-M523 WeakPolarHBondContact O-CB 3.41Å; F520-M523 PolarHBondContact O-N 3.36Å; M523-T527 WeakPolarHBondContact O-CB 3.26Å; M523-T527 PolarHBondContact O-N 3.46Å; M523-T527 PolarHBondContact O-OG1 3.48Å
524	S	91.4	Very high	89.8	Confident	2 Å²	2	55 Å²	55	1%	0.014	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-46.2	172.4	-50	0	0	0	0	111	T467 F520 F521 T527 I528	T467-S524 WeakPolarHBondContact O-CB 3.41Å; T467-S524 PolarHBondContact O-OG 3.48Å; F520-S524 PolarHBondContact O-N 3.39Å; F520-S524 PolarHBondContact O-OG 2.95Å; F521-S524 WeakPolarHBondContact O-CB 3.42Å; F521-S524 PolarHBondContact O-N 3.26Å; S524-T527 WeakPolarHBondContact O-CB 3.48Å; S524-T527 PolarHBondContact O-N 3.18Å; S524-I528 WeakPolarHBondContact O-CG1 3.44Å; S524-I528 PolarHBondContact O-N 2.95Å
525	K	89.9	Confident	89.5	Confident	83 Å²	83	58 Å²	58	36%	0.361	28%	0.276	S	S	.	.	H	α-helix	trans	-66.9	-45.3	179	174.4	176.6	154.3	-151	0	112.9	F521 E522 T527 I528 V529	F521-K525 HydrophobicContact CE1-CD 4.09Å; F521-K525 HydrophobicContact CZ-CD 4.33Å; F521-K525 WeakPolarHBondContact O-CB 3.47Å; F521-K525 PolarHBondContact O-N 2.94Å; E522-K525 VanDerWaalsContact CD-NZ 3.28Å; E522-K525 PolarHBondContact O-N 2.85Å; E522-K525 IonicContact OE1-NZ 2.89Å; E522-K525 PolarHBondContact OE1-NZ 3.37Å; E522-K525 WeakPolarHBondContact OE2-CD 3.46Å; E522-K525 WeakPolarHBondContact OE2-CE 3.41Å; E522-K525 IonicContact OE2-NZ 2.67Å; E522-K525 PolarHBondContact OE2-NZ 3.33Å; K525-T527 VanDerWaalsContact C-N 3.29Å; K525-T527 PolarHBondContact O-N 2.83Å; K525-I528 PolarHBondContact O-N 3.35Å; K525-V529 WeakPolarHBondContact O-CG2 3.33Å; K525-V529 PolarHBondContact O-N 3.09Å; K525-V529 VanDerWaalsContact O-N 3.12Å
526	E	90.6	Very high	89.2	Confident	116 Å²	116	58.8 Å²	58.8	54%	0.542	28%	0.282	S	S	.	.	H	α-helix	trans	-58.1	-42.1	169.5	-76.6	179.1	178.9	0	0	111.3	E522 V529 R530	E522-E526 WeakPolarHBondContact O-CB 3.42Å; E522-E526 WeakPolarHBondContact O-CG 3.42Å; E522-E526 PolarHBondContact O-N 3.06Å; E526-V529 PolarHBondContact O-N 2.82Å; E526-R530 WeakPolarHBondContact O-CB 3.44Å; E526-R530 PolarHBondContact O-N 3.21Å
527	T	90.9	Very high	89	Confident	8 Å²	8	57.8 Å²	57.8	5%	0.049	27%	0.271	C	S	.	.	H	α-helix	trans	-65	-42	178.2	-65.4	0	0	0	0	112	E464 I468 M523 S524 K525 C531	E464-T527 HydrophobicContact CB-CG2 4.38Å; I468-T527 HydrophobicContact CD1-CG2 4.03Å; I468-T527 HydrophobicContact CG1-CG2 3.73Å; M523-T527 WeakPolarHBondContact O-CB 3.26Å; M523-T527 PolarHBondContact O-N 3.46Å; M523-T527 PolarHBondContact O-OG1 3.48Å; S524-T527 WeakPolarHBondContact O-CB 3.48Å; S524-T527 PolarHBondContact O-N 3.18Å; K525-T527 VanDerWaalsContact C-N 3.29Å; K525-T527 PolarHBondContact O-N 2.83Å; T527-C531 VanDerWaalsContact O-CB 3.25Å; T527-C531 WeakPolarHBondContact O-CB 3.29Å; T527-C531 PolarHBondContact O-N 2.75Å; T527-C531 PolarHBondContact O-SG 3.29Å
528	I	92.6	Very high	88.9	Confident	9 Å²	9	57.7 Å²	57.7	5%	0.046	27%	0.27	C	S	.	.	H	α-helix	trans	-57.7	-55.2	173.8	-69	163.2	0	0	0	110	I468 S524 K525 R530 C531 E532 F538 L542 L556 L560	I468-I528 HydrophobicContact CD1-CG1 4.16Å; I468-I528 HydrophobicContact CG1-CG1 4.03Å; I468-I528 HydrophobicContact CG2-CD1 4.12Å; I468-I528 HydrophobicContact CG2-CG1 4.01Å; S524-I528 WeakPolarHBondContact O-CG1 3.44Å; S524-I528 PolarHBondContact O-N 2.95Å; K525-I528 PolarHBondContact O-N 3.35Å; I528-R530 VanDerWaalsContact C-N 3.35Å; I528-R530 PolarHBondContact O-N 2.98Å; I528-C531 PolarHBondContact O-N 3.41Å; I528-E532 VanDerWaalsContact O-CB 3.29Å; I528-E532 WeakPolarHBondContact O-CB 3.27Å; I528-E532 PolarHBondContact O-N 2.8Å; I528-F538 HydrophobicContact CG2-CE1 4.5Å; I528-L542 HydrophobicContact CG2-CD1 4.22Å; I528-L556 HydrophobicContact CD1-CD2 4.07Å; I528-L556 HydrophobicContact CD1-CG 4.11Å; I528-L556 HydrophobicContact CG1-CD2 4.39Å; I528-L560 HydrophobicContact CD1-CD1 3.8Å
529	V	91.2	Very high	88.8	Confident	91 Å²	91	57.5 Å²	57.5	55%	0.552	27%	0.268	S	S	*	.	H	α-helix	trans	-62.7	-40.4	-176.9	174.7	0	0	0	0	111.7	K525 E526 K533	K525-V529 WeakPolarHBondContact O-CG2 3.33Å; K525-V529 PolarHBondContact O-N 3.09Å; K525-V529 VanDerWaalsContact O-N 3.12Å; E526-V529 PolarHBondContact O-N 2.82Å; V529-K533 PolarHBondContact O-N 3.25Å; V529-K533 VanDerWaalsContact O-N 3.1Å
530	R	90.4	Very high	88.7	Confident	91 Å²	91	56.5 Å²	56.5	34%	0.343	26%	0.263	S	S	.	.	H	α-helix	trans	-61.4	-51.1	174.2	179.2	-175.9	62.4	71.7	-3.3	111.2	E464 E526 I528 E532 K533 Q534	E464-R530 IonicContact OE1-CZ 3.95Å; E464-R530 VanDerWaalsContact OE1-CZ 3.3Å; E464-R530 IonicContact OE1-NH1 3.25Å; E464-R530 PolarHBondContact OE1-NH1 2.8Å; E464-R530 IonicContact OE1-NH2 3.5Å; E464-R530 PolarHBondContact OE1-NH2 3.44Å; E526-R530 WeakPolarHBondContact O-CB 3.44Å; E526-R530 PolarHBondContact O-N 3.21Å; I528-R530 VanDerWaalsContact C-N 3.35Å; I528-R530 PolarHBondContact O-N 2.98Å; R530-E532 VanDerWaalsContact C-N 3.33Å; R530-E532 PolarHBondContact O-N 3.17Å; R530-K533 PolarHBondContact O-N 3.44Å; R530-Q534 HydrophobicContact CG-CG 4.39Å; R530-Q534 VanDerWaalsContact CG-OE1 3.28Å; R530-Q534 VanDerWaalsContact NH1-OE1 3.09Å; R530-Q534 VanDerWaalsContact O-CB 3.31Å; R530-Q534 WeakPolarHBondContact O-CB 3.43Å; R530-Q534 VanDerWaalsContact O-CG 3.27Å; R530-Q534 WeakPolarHBondContact O-CG 3.37Å; R530-Q534 PolarHBondContact O-N 2.91Å
531	C	90.1	Very high	88.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-38.8	-178.6	-68.1	0	0	0	0	111.4	L460 E464 T527 I528 Q534 K535 F538	L460-C531 HydrophobicContact CD2-CB 3.93Å; E464-C531 PolarHBondContact OE1-SG 2.86Å; E464-C531 VanDerWaalsContact OE1-SG 3.35Å; T527-C531 VanDerWaalsContact O-CB 3.25Å; T527-C531 WeakPolarHBondContact O-CB 3.29Å; T527-C531 PolarHBondContact O-N 2.75Å; T527-C531 PolarHBondContact O-SG 3.29Å; I528-C531 PolarHBondContact O-N 3.41Å; C531-Q534 PolarHBondContact O-N 3.39Å; C531-K535 WeakPolarHBondContact O-CA 3.48Å; C531-K535 VanDerWaalsContact O-CB 3.31Å; C531-K535 WeakPolarHBondContact O-CB 3.38Å; C531-K535 PolarHBondContact O-N 2.97Å; C531-F538 HydrophobicContact CB-CD1 3.5Å; C531-F538 HydrophobicContact CB-CE1 3.66Å; C531-F538 HydrophobicContact CB-CG 4.37Å
532	E	89.1	Confident	88.8	Confident	58 Å²	58	51 Å²	51	27%	0.271	24%	0.238	S	C	.	.	H	α-helix	trans	-61.9	-45.1	177.5	-175.3	176	-166.7	0	0	111.6	I528 R530 F538 H539 L542	I528-E532 VanDerWaalsContact O-CB 3.29Å; I528-E532 WeakPolarHBondContact O-CB 3.27Å; I528-E532 PolarHBondContact O-N 2.8Å; R530-E532 VanDerWaalsContact C-N 3.33Å; R530-E532 PolarHBondContact O-N 3.17Å; E532-F538 HydrophobicContact CB-CD1 4.47Å; E532-H539 HydrophobicContact CG-CB 3.79Å; E532-H539 VanDerWaalsContact CG-ND1 3.29Å; E532-H539 WeakPolarHBondContact CG-ND1 3.37Å; E532-H539 IonicContact OE1-CE1 3.71Å; E532-H539 PolarHBondContact OE1-CE1 2.99Å; E532-H539 IonicContact OE1-CG 2.68Å; E532-H539 IonicContact OE1-ND1 3.38Å; E532-H539 PolarHBondContact OE1-ND1 2.93Å; E532-L542 HydrophobicContact CB-CD1 4.2Å; E532-L542 HydrophobicContact CG-CD1 4.16Å
533	K	86.8	Confident	88.7	Confident	190 Å²	190	49.4 Å²	49.4	83%	0.826	23%	0.23	S	C	*	.	H	α-helix	trans	-70	-36	176.9	-172.1	169.7	-177.7	173.1	0	113	V529 R530	V529-K533 PolarHBondContact O-N 3.25Å; V529-K533 VanDerWaalsContact O-N 3.1Å; R530-K533 PolarHBondContact O-N 3.44Å
534	Q	87.5	Confident	88.6	Confident	125 Å²	125	47.1 Å²	47.1	58%	0.584	22%	0.22	S	C	*	.	H	α-helix	trans	-86	-36.9	-175.3	-70.5	177.3	-19.4	0	0	113.8	R530 C531	R530-Q534 HydrophobicContact CG-CG 4.39Å; R530-Q534 VanDerWaalsContact CG-OE1 3.28Å; R530-Q534 VanDerWaalsContact NH1-OE1 3.09Å; R530-Q534 VanDerWaalsContact O-CB 3.31Å; R530-Q534 WeakPolarHBondContact O-CB 3.43Å; R530-Q534 VanDerWaalsContact O-CG 3.27Å; R530-Q534 WeakPolarHBondContact O-CG 3.37Å; R530-Q534 PolarHBondContact O-N 2.91Å; C531-Q534 PolarHBondContact O-N 3.39Å
535	K	87.4	Confident	88.3	Confident	66 Å²	66	47.4 Å²	47.4	29%	0.287	22%	0.221	S	C	.	.			trans	-115.9	100	-168.7	-62.4	-178.6	171.4	-171.8	0	110.9	L460 E464 C531 R537 F538 H539	L460-K535 HydrophobicContact CD2-CD 3.78Å; E464-K535 IonicContact OE1-NZ 3.73Å; E464-K535 IonicContact OE2-NZ 2.64Å; E464-K535 PolarHBondContact OE2-NZ 2.98Å; C531-K535 WeakPolarHBondContact O-CA 3.48Å; C531-K535 VanDerWaalsContact O-CB 3.31Å; C531-K535 WeakPolarHBondContact O-CB 3.38Å; C531-K535 PolarHBondContact O-N 2.97Å; K535-R537 VanDerWaalsContact C-N 3.26Å; K535-R537 PolarHBondContact O-N 3.27Å; K535-F538 HydrophobicContact CB-CB 4.02Å; K535-F538 PolarHBondContact O-N 3.08Å; K535-H539 PolarHBondContact O-N 3.18Å; K535-H539 VanDerWaalsContact O-N 3.13Å
536	A	83.9	Confident	88.2	Confident	19 Å²	19	45.2 Å²	45.2	16%	0.157	21%	0.212	C	C	.	.	H	α-helix	trans	-55.7	-38	-177.8	0	0	0	0	0	113.8	I311 F538 H539 A540	I311-A536 HydrophobicContact CG2-CB 4.15Å; A536-F538 VanDerWaalsContact C-N 3.31Å; A536-F538 PolarHBondContact O-N 3.07Å; A536-H539 PolarHBondContact O-N 3.13Å; A536-A540 WeakPolarHBondContact O-CB 3.48Å; A536-A540 PolarHBondContact O-N 2.95Å
537	R	85.3	Confident	87.7	Confident	37 Å²	37	41.9 Å²	41.9	14%	0.14	20%	0.204	C	C	.	.	H	α-helix	trans	-64.2	-32.2	176.4	-60.5	-175	58.5	-132.5	-4.5	113	I311 Q312 V455 G456 G457 K535 F541	I311-R537 WeakPolarHBondContact O-CG 3.27Å; Q312-R537 PolarHBondContact O-NE 3.33Å; Q312-R537 PolarHBondContact O-NH2 2.86Å; V455-R537 PolarHBondContact O-NH2 3.45Å; G456-R537 PolarHBondContact O-NH1 2.85Å; G456-R537 VanDerWaalsContact O-NH1 3.14Å; G457-R537 PolarHBondContact O-NH1 3.43Å; G457-R537 PolarHBondContact O-NH2 3.42Å; K535-R537 VanDerWaalsContact C-N 3.26Å; K535-R537 PolarHBondContact O-N 3.27Å; R537-F541 WeakPolarHBondContact O-CB 3.26Å; R537-F541 PolarHBondContact O-N 3.22Å
538	F	89.8	Confident	87.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-78.3	-40.8	176.5	-179.8	-113.4	0	0	0	112.3	L449 I459 L460 I468 I528 C531 E532 K535 A536 A540 F541 L542	L449-F538 HydrophobicContact CD1-CE2 4.12Å; L449-F538 HydrophobicContact CD2-CD2 4.31Å; I459-F538 HydrophobicContact CG2-CB 3.75Å; I459-F538 HydrophobicContact CG2-CD2 4.05Å; I459-F538 HydrophobicContact CG2-CG 4.4Å; L460-F538 HydrophobicContact CD1-CD2 3.83Å; L460-F538 HydrophobicContact CD1-CE2 3.64Å; L460-F538 HydrophobicContact CD1-CG 4.46Å; L460-F538 HydrophobicContact CD1-CZ 4.1Å; L460-F538 HydrophobicContact CD2-CB 4.12Å; L460-F538 HydrophobicContact CD2-CD1 4.31Å; L460-F538 HydrophobicContact CD2-CD2 3.96Å; L460-F538 HydrophobicContact CD2-CE2 4.49Å; L460-F538 HydrophobicContact CD2-CG 3.86Å; L460-F538 HydrophobicContact CG-CD2 3.82Å; L460-F538 HydrophobicContact CG-CE2 4.17Å; L460-F538 HydrophobicContact CG-CG 4.25Å; I468-F538 HydrophobicContact CD1-CZ 4.23Å; I528-F538 HydrophobicContact CG2-CE1 4.5Å; C531-F538 HydrophobicContact CB-CD1 3.5Å; C531-F538 HydrophobicContact CB-CE1 3.66Å; C531-F538 HydrophobicContact CB-CG 4.37Å; E532-F538 HydrophobicContact CB-CD1 4.47Å; K535-F538 HydrophobicContact CB-CB 4.02Å; K535-F538 PolarHBondContact O-N 3.08Å; A536-F538 VanDerWaalsContact C-N 3.31Å; A536-F538 PolarHBondContact O-N 3.07Å; F538-A540 VanDerWaalsContact C-N 3.32Å; F538-A540 PolarHBondContact O-N 3.46Å; F538-F541 HydrophobicContact CD2-CD1 4.24Å; F538-F541 HydrophobicContact CE2-CD1 4.29Å; F538-F541 WeakPolarHBondContact O-CB 3.36Å; F538-F541 PolarHBondContact O-N 3.22Å; F538-L542 HydrophobicContact CD1-CD1 4.08Å; F538-L542 HydrophobicContact CD1-CG 4.45Å; F538-L542 HydrophobicContact CE1-CD1 3.57Å; F538-L542 HydrophobicContact CE1-CD2 4.48Å; F538-L542 HydrophobicContact CE1-CG 4.07Å; F538-L542 HydrophobicContact CE2-CD2 4.14Å; F538-L542 HydrophobicContact CE2-CG 4.16Å; F538-L542 HydrophobicContact CZ-CD1 3.84Å; F538-L542 HydrophobicContact CZ-CD2 3.89Å; F538-L542 HydrophobicContact CZ-CG 3.92Å; F538-L542 WeakPolarHBondContact O-CG 3.42Å; F538-L542 PolarHBondContact O-N 3.37Å
539	H	87.8	Confident	86.4	Confident	15 Å²	15	48.4 Å²	48.4	7%	0.069	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-43	171.4	174.5	79.6	0	0	0	111.9	R262 W308 E532 K535 A536 L542 K543	R262-H539 PolarHBondContact NH2-CD2 3.14Å; R262-H539 PolarHBondContact NH2-NE2 3.13Å; W308-H539 AromaticContact CH2-CD2 3.74Å; W308-H539 AromaticContact CH2-NE2 3.37Å; W308-H539 WeakPolarHBondContact CH2-NE2 3.45Å; W308-H539 AromaticContact CZ3-CD2 3.42Å; W308-H539 VanDerWaalsContact CZ3-CD2 3.42Å; W308-H539 WeakPolarHBondContact CZ3-CD2 3.31Å; W308-H539 AromaticContact CZ3-NE2 3.61Å; E532-H539 HydrophobicContact CG-CB 3.79Å; E532-H539 VanDerWaalsContact CG-ND1 3.29Å; E532-H539 WeakPolarHBondContact CG-ND1 3.37Å; E532-H539 IonicContact OE1-CE1 3.71Å; E532-H539 PolarHBondContact OE1-CE1 2.99Å; E532-H539 IonicContact OE1-CG 2.68Å; E532-H539 IonicContact OE1-ND1 3.38Å; E532-H539 PolarHBondContact OE1-ND1 2.93Å; K535-H539 PolarHBondContact O-N 3.18Å; K535-H539 VanDerWaalsContact O-N 3.13Å; A536-H539 PolarHBondContact O-N 3.13Å; H539-L542 PolarHBondContact O-N 3.5Å; H539-K543 PolarHBondContact O-N 3.08Å
540	A	85.2	Confident	85.7	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-46.9	173.7	0	0	0	0	0	112.1	W308 I311 Q312 A536 F538 L542 K543 I544	W308-A540 HydrophobicContact CB-CB 4.19Å; W308-A540 HydrophobicContact CE3-CB 4Å; W308-A540 WeakPolarHBondContact O-CB 3.48Å; I311-A540 HydrophobicContact CB-CB 3.95Å; I311-A540 HydrophobicContact CG2-CB 3.79Å; Q312-A540 HydrophobicContact CB-CB 4.19Å; A536-A540 WeakPolarHBondContact O-CB 3.48Å; A536-A540 PolarHBondContact O-N 2.95Å; F538-A540 VanDerWaalsContact C-N 3.32Å; F538-A540 PolarHBondContact O-N 3.46Å; A540-L542 VanDerWaalsContact C-N 3.31Å; A540-L542 PolarHBondContact O-N 2.69Å; A540-K543 PolarHBondContact O-N 3.18Å; A540-I544 WeakPolarHBondContact O-CD1 3.47Å; A540-I544 VanDerWaalsContact O-CG1 3.28Å; A540-I544 WeakPolarHBondContact O-CG1 3.41Å; A540-I544 PolarHBondContact O-N 3.3Å
541	F	89.9	Confident	85	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-57.2	-40.2	174.1	175.7	-91	0	0	0	113.1	Q312 L444 F445 P448 L449 I459 R537 F538 N545	Q312-F541 HydrophobicContact CG-CB 4.2Å; L444-F541 WeakPolarHBondContact O-CZ 3.34Å; F445-F541 HydrophobicContact CB-CE1 4.48Å; F445-F541 HydrophobicContact CD1-CE1 4.04Å; P448-F541 HydrophobicContact CB-CE2 3.81Å; P448-F541 HydrophobicContact CB-CZ 3.98Å; L449-F541 HydrophobicContact CD1-CD1 4.48Å; L449-F541 HydrophobicContact CD1-CE1 3.79Å; L449-F541 HydrophobicContact CD1-CZ 4.22Å; L449-F541 HydrophobicContact CD2-CD1 4.04Å; L449-F541 HydrophobicContact CD2-CD2 4.47Å; L449-F541 HydrophobicContact CD2-CE1 3.85Å; L449-F541 HydrophobicContact CD2-CE2 4.3Å; L449-F541 HydrophobicContact CD2-CG 4.36Å; L449-F541 HydrophobicContact CD2-CZ 4Å; L449-F541 HydrophobicContact CG-CD1 4.38Å; L449-F541 HydrophobicContact CG-CE1 3.7Å; L449-F541 HydrophobicContact CG-CE2 4.36Å; L449-F541 HydrophobicContact CG-CZ 3.69Å; I459-F541 HydrophobicContact CD1-CB 4.44Å; I459-F541 HydrophobicContact CD1-CD2 4.01Å; I459-F541 HydrophobicContact CD1-CG 4.44Å; R537-F541 WeakPolarHBondContact O-CB 3.26Å; R537-F541 PolarHBondContact O-N 3.22Å; F538-F541 HydrophobicContact CD2-CD1 4.24Å; F538-F541 HydrophobicContact CE2-CD1 4.29Å; F538-F541 WeakPolarHBondContact O-CB 3.36Å; F538-F541 PolarHBondContact O-N 3.22Å; F541-N545 WeakPolarHBondContact CD2-ND2 3.42Å; F541-N545 VanDerWaalsContact CE2-ND2 3.31Å; F541-N545 WeakPolarHBondContact CE2-ND2 3.43Å; F541-N545 WeakPolarHBondContact CZ-ND2 3.24Å; F541-N545 PolarHBondContact O-N 3.47Å; F541-N545 VanDerWaalsContact O-N 3.13Å; F541-N545 PolarHBondContact O-ND2 3.44Å
542	L	88.8	Confident	84.1	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-50.2	174.4	-71.3	178.4	0	0	0	111.4	F445 I528 E532 F538 H539 A540 I544 N545 Q546 L556	F445-L542 HydrophobicContact CD1-CD2 4.16Å; F445-L542 HydrophobicContact CE1-CD2 4.09Å; I528-L542 HydrophobicContact CG2-CD1 4.22Å; E532-L542 HydrophobicContact CB-CD1 4.2Å; E532-L542 HydrophobicContact CG-CD1 4.16Å; F538-L542 HydrophobicContact CD1-CD1 4.08Å; F538-L542 HydrophobicContact CD1-CG 4.45Å; F538-L542 HydrophobicContact CE1-CD1 3.57Å; F538-L542 HydrophobicContact CE1-CD2 4.48Å; F538-L542 HydrophobicContact CE1-CG 4.07Å; F538-L542 HydrophobicContact CE2-CD2 4.14Å; F538-L542 HydrophobicContact CE2-CG 4.16Å; F538-L542 HydrophobicContact CZ-CD1 3.84Å; F538-L542 HydrophobicContact CZ-CD2 3.89Å; F538-L542 HydrophobicContact CZ-CG 3.92Å; F538-L542 WeakPolarHBondContact O-CG 3.42Å; F538-L542 PolarHBondContact O-N 3.37Å; H539-L542 PolarHBondContact O-N 3.5Å; A540-L542 VanDerWaalsContact C-N 3.31Å; A540-L542 PolarHBondContact O-N 2.69Å; L542-I544 VanDerWaalsContact C-N 3.34Å; L542-I544 PolarHBondContact O-N 3.07Å; L542-N545 PolarHBondContact O-N 2.88Å; L542-Q546 VanDerWaalsContact O-CB 3.27Å; L542-Q546 WeakPolarHBondContact O-CB 3.36Å; L542-Q546 WeakPolarHBondContact O-CG 3.4Å; L542-Q546 PolarHBondContact O-N 3.32Å; L542-L556 HydrophobicContact CD2-CB 4.11Å; L542-L556 HydrophobicContact CD2-CD2 3.78Å
543	K	86	Confident	83.4	Confident	49 Å²	49	51.7 Å²	51.7	21%	0.213	25%	0.252	C	S	.	.	H	α-helix	trans	-58.1	-42.7	178.8	-79.1	-75.5	-167.9	170.8	0	112.2	E255 W308 H539 A540 A547	E255-K543 IonicContact OE1-NZ 2.85Å; E255-K543 PolarHBondContact OE1-NZ 2.95Å; W308-K543 HydrophobicContact CD2-CB 3.97Å; W308-K543 HydrophobicContact CD2-CG 4.23Å; W308-K543 HydrophobicContact CG-CB 3.91Å; W308-K543 HydrophobicContact CZ2-CD 4.48Å; W308-K543 HydrophobicContact CZ2-CG 4.15Å; H539-K543 PolarHBondContact O-N 3.08Å; A540-K543 PolarHBondContact O-N 3.18Å; K543-A547 WeakPolarHBondContact O-CB 3.38Å; K543-A547 PolarHBondContact O-N 3.49Å; K543-A547 VanDerWaalsContact O-N 3.14Å
544	I	85.6	Confident	83	Confident	26 Å²	26	44.5 Å²	44.5	13%	0.133	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-51.4	176.8	-65.7	155.3	0	0	0	111.3	W308 Q312 A540 L542 A547	W308-I544 HydrophobicContact CB-CD1 3.92Å; W308-I544 HydrophobicContact CB-CG1 3.62Å; Q312-I544 HydrophobicContact CB-CD1 4.05Å; A540-I544 WeakPolarHBondContact O-CD1 3.47Å; A540-I544 VanDerWaalsContact O-CG1 3.28Å; A540-I544 WeakPolarHBondContact O-CG1 3.41Å; A540-I544 PolarHBondContact O-N 3.3Å; L542-I544 VanDerWaalsContact C-N 3.34Å; L542-I544 PolarHBondContact O-N 3.07Å; I544-A547 PolarHBondContact O-N 3.08Å
545	N	86.1	Confident	83	Confident	7 Å²	7	41.1 Å²	41.1	4%	0.037	21%	0.209	C	C	.	.	H	α-helix	trans	-73.5	-29.9	-174.8	-71.2	-68	0	0	0	112.8	L444 F445 F541 L542 K548 C551	L444-N545 PolarHBondContact O-OD1 3.4Å; F445-N545 HydrophobicContact CD1-CB 4.22Å; F445-N545 HydrophobicContact CE1-CB 3.65Å; F445-N545 HydrophobicContact CE2-CB 4.49Å; F445-N545 HydrophobicContact CZ-CB 3.81Å; F541-N545 WeakPolarHBondContact CD2-ND2 3.42Å; F541-N545 VanDerWaalsContact CE2-ND2 3.31Å; F541-N545 WeakPolarHBondContact CE2-ND2 3.43Å; F541-N545 WeakPolarHBondContact CZ-ND2 3.24Å; F541-N545 PolarHBondContact O-N 3.47Å; F541-N545 VanDerWaalsContact O-N 3.13Å; F541-N545 PolarHBondContact O-ND2 3.44Å; L542-N545 PolarHBondContact O-N 2.88Å; N545-K548 WeakPolarHBondContact O-CB 3.49Å; N545-K548 PolarHBondContact O-N 3.14Å; N545-K548 WeakPolarHBondContact OD1-CE 3.35Å; N545-K548 PolarHBondContact OD1-NZ 3.38Å; N545-C551 PolarHBondContact O-SG 2.91Å
546	Q	86.4	Confident	83.1	Confident	37 Å²	37	38 Å²	38	17%	0.173	20%	0.196	C	C	.	.	H	α-helix	trans	-76.4	-21.4	175.6	-67.4	171	19	0	0	113.5	F445 L542 K548	F445-Q546 HydrophobicContact CE1-CG 4.24Å; F445-Q546 HydrophobicContact CZ-CG 4.1Å; L542-Q546 VanDerWaalsContact O-CB 3.27Å; L542-Q546 WeakPolarHBondContact O-CB 3.36Å; L542-Q546 WeakPolarHBondContact O-CG 3.4Å; L542-Q546 PolarHBondContact O-N 3.32Å; Q546-K548 VanDerWaalsContact C-N 3.31Å
547	A	80.1	Confident	83.2	Confident	46 Å²	46	38.7 Å²	38.7	38%	0.38	20%	0.202	S	C	.	.	H	α-helix	trans	-72.1	-23.4	173.4	0	0	0	0	0	113.2	K543 I544	K543-A547 WeakPolarHBondContact O-CB 3.38Å; K543-A547 PolarHBondContact O-N 3.49Å; K543-A547 VanDerWaalsContact O-N 3.14Å; I544-A547 PolarHBondContact O-N 3.08Å
548	K	80.4	Confident	83.2	Confident	60 Å²	60	41.5 Å²	41.5	26%	0.261	22%	0.216	S	C	.	.	S	Bend	trans	-62.6	144.2	179.6	-67	174.6	176.9	174.7	0	112.2	L444 N545 Q546 E550 C551	L444-K548 HydrophobicContact CD1-CD 4.1Å; L444-K548 HydrophobicContact CD2-CD 4.21Å; N545-K548 WeakPolarHBondContact O-CB 3.49Å; N545-K548 PolarHBondContact O-N 3.14Å; N545-K548 WeakPolarHBondContact OD1-CE 3.35Å; N545-K548 PolarHBondContact OD1-NZ 3.38Å; Q546-K548 VanDerWaalsContact C-N 3.31Å; K548-E550 VanDerWaalsContact C-N 3.26Å; K548-E550 WeakPolarHBondContact CD-OE2 3.35Å; K548-E550 PolarHBondContact O-N 2.95Å; K548-C551 PolarHBondContact O-N 3.25Å
549	P	76.4	Confident	83.1	Confident	94 Å²	94	41.8 Å²	41.8	61%	0.61	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-63.3	-30.6	-178.6	24.9	-31.9	0	0	0	112.9	C551 G552	P549-C551 PolarHBondContact O-N 2.91Å; P549-G552 PolarHBondContact O-N 3.34Å
550	E	76.6	Confident	83.2	Confident	97 Å²	97	41.2 Å²	41.2	45%	0.453	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-55.5	-33.7	175.6	-52.4	89.4	-99.6	0	0	113.4	T440 L444 K548 G552	T440-E550 HydrophobicContact CG2-CB 4Å; L444-E550 HydrophobicContact CD1-CB 3.92Å; L444-E550 HydrophobicContact CD1-CG 4.41Å; L444-E550 WeakPolarHBondContact CD1-OE2 3.42Å; K548-E550 VanDerWaalsContact C-N 3.26Å; K548-E550 WeakPolarHBondContact CD-OE2 3.35Å; K548-E550 PolarHBondContact O-N 2.95Å; E550-G552 VanDerWaalsContact C-N 3.26Å; E550-G552 PolarHBondContact O-N 3.17Å
551	C	75.4	Confident	83.4	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.014	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-77.9	-6.8	-179.1	-72.1	0	0	0	0	113.6	N545 K548 P549 R553 Q554	N545-C551 PolarHBondContact O-SG 2.91Å; K548-C551 PolarHBondContact O-N 3.25Å; P549-C551 PolarHBondContact O-N 2.91Å; C551-R553 PolarHBondContact O-N 3.19Å; C551-R553 VanDerWaalsContact O-N 3.07Å; C551-Q554 WeakPolarHBondContact O-CB 3.46Å; C551-Q554 PolarHBondContact O-N 3.26Å
552	G	71.8	Confident	83.3	Confident	21 Å²	21	46.4 Å²	46.4	22%	0.216	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	28	179.6	0	0	0	0	0	114.2	P549 E550 Q554	P549-G552 PolarHBondContact O-N 3.34Å; E550-G552 VanDerWaalsContact C-N 3.26Å; E550-G552 PolarHBondContact O-N 3.17Å; G552-Q554 PolarHBondContact O-N 3.37Å
553	R	74.9	Confident	83.4	Confident	190 Å²	190	46.4 Å²	46.4	72%	0.717	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	22	-172	-54	-178.3	179.2	178.5	-0.8	115.5	N286 C551	N286-R553 PolarHBondContact OD1-NH2 2.85Å; C551-R553 PolarHBondContact O-N 3.19Å; C551-R553 VanDerWaalsContact O-N 3.07Å
554	Q	78.3	Confident	83.5	Confident	39 Å²	39	46.5 Å²	46.5	18%	0.182	24%	0.242	C	C	.	.			trans	-88.2	145	173	-72.3	163.6	85.1	0	0	111.2	C551 G552 E558 L559	C551-Q554 WeakPolarHBondContact O-CB 3.46Å; C551-Q554 PolarHBondContact O-N 3.26Å; G552-Q554 PolarHBondContact O-N 3.37Å; Q554-E558 HydrophobicContact CB-CB 4.22Å; Q554-L559 HydrophobicContact CB-CD2 3.88Å; Q554-L559 HydrophobicContact CB-CG 4.23Å
555	T	85.9	Confident	83.5	Confident	54 Å²	54	49.7 Å²	49.7	33%	0.331	26%	0.257	S	S	.	.			trans	-73.3	158.9	172.5	64.5	0	0	0	0	111.4	A557 E558 L559	T555-A557 PolarHBondContact O-N 2.92Å; T555-A557 VanDerWaalsContact O-N 3.15Å; T555-E558 WeakPolarHBondContact CB-OE2 3.2Å; T555-E558 WeakPolarHBondContact CG2-OE2 3.36Å; T555-E558 PolarHBondContact N-OE2 3.22Å; T555-E558 PolarHBondContact O-N 2.79Å; T555-E558 VanDerWaalsContact OG1-CD 3.26Å; T555-E558 WeakPolarHBondContact OG1-CG 3.48Å; T555-E558 PolarHBondContact OG1-N 3.48Å; T555-E558 PolarHBondContact OG1-OE2 3.47Å; T555-L559 PolarHBondContact O-N 3.21Å
556	L	89.9	Confident	83.8	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-55.9	-34.2	177.3	179.3	59.3	0	0	0	112.6	V441 F445 I468 F469 I528 L542 L559 L560	V441-L556 HydrophobicContact CG1-CD1 4.39Å; F445-L556 HydrophobicContact CB-CD1 4.18Å; F445-L556 HydrophobicContact CD1-CB 4.46Å; F445-L556 HydrophobicContact CD1-CD1 3.99Å; F445-L556 HydrophobicContact CD1-CD2 4Å; F445-L556 HydrophobicContact CD1-CG 4.37Å; F445-L556 HydrophobicContact CD2-CD1 4.01Å; F445-L556 HydrophobicContact CE1-CB 4.24Å; F445-L556 HydrophobicContact CE1-CD1 4.36Å; F445-L556 HydrophobicContact CE2-CD1 4.37Å; F445-L556 HydrophobicContact CG-CD1 3.79Å; F445-L556 HydrophobicContact CG-CD2 4.41Å; I468-L556 HydrophobicContact CG2-CD2 4.4Å; F469-L556 HydrophobicContact CE1-CD1 4.38Å; I528-L556 HydrophobicContact CD1-CD2 4.07Å; I528-L556 HydrophobicContact CD1-CG 4.11Å; I528-L556 HydrophobicContact CG1-CD2 4.39Å; L542-L556 HydrophobicContact CD2-CB 4.11Å; L542-L556 HydrophobicContact CD2-CD2 3.78Å; L556-L559 PolarHBondContact O-N 3.08Å; L556-L560 HydrophobicContact CD1-CD1 4.06Å; L556-L560 HydrophobicContact CD1-CG 4.16Å; L556-L560 HydrophobicContact CG-CD1 3.95Å; L556-L560 HydrophobicContact CG-CG 4.47Å; L556-L560 WeakPolarHBondContact O-CB 3.31Å; L556-L560 VanDerWaalsContact O-CG 3.28Å; L556-L560 WeakPolarHBondContact O-CG 3.49Å; L556-L560 PolarHBondContact O-N 3.24Å
557	A	87.6	Confident	84	Confident	33 Å²	33	48.8 Å²	48.8	27%	0.273	25%	0.252	S	S	.	.	H	α-helix	trans	-69	-32.8	176	0	0	0	0	0	113.2	T555 L560 I561	T555-A557 PolarHBondContact O-N 2.92Å; T555-A557 VanDerWaalsContact O-N 3.15Å; A557-L560 PolarHBondContact O-N 3.24Å; A557-I561 PolarHBondContact O-N 2.98Å; A557-I561 VanDerWaalsContact O-N 3.1Å
558	E	85	Confident	84.3	Confident	96 Å²	96	49.4 Å²	49.4	45%	0.449	25%	0.252	S	S	.	.	H	α-helix	trans	-79.8	-19.5	176.3	-68.6	162.9	136.1	0	0	113.1	Q554 T555 I561	Q554-E558 HydrophobicContact CB-CB 4.22Å; T555-E558 WeakPolarHBondContact CB-OE2 3.2Å; T555-E558 WeakPolarHBondContact CG2-OE2 3.36Å; T555-E558 PolarHBondContact N-OE2 3.22Å; T555-E558 PolarHBondContact O-N 2.79Å; T555-E558 VanDerWaalsContact OG1-CD 3.26Å; T555-E558 WeakPolarHBondContact OG1-CG 3.48Å; T555-E558 PolarHBondContact OG1-N 3.48Å; T555-E558 PolarHBondContact OG1-OE2 3.47Å; E558-I561 WeakPolarHBondContact O-CG2 3.37Å
559	L	87.7	Confident	84.7	Confident	6 Å²	6	48.5 Å²	48.5	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-77.7	-42.7	165.1	-60.3	178.2	0	0	0	110.8	I437 V441 F445 Q554 T555 L556 I561 R562	I437-L559 HydrophobicContact CG2-CD2 4.28Å; V441-L559 HydrophobicContact CG2-CB 3.71Å; V441-L559 HydrophobicContact CG2-CD1 4.09Å; F445-L559 HydrophobicContact CE2-CD1 4.06Å; Q554-L559 HydrophobicContact CB-CD2 3.88Å; Q554-L559 HydrophobicContact CB-CG 4.23Å; T555-L559 PolarHBondContact O-N 3.21Å; L556-L559 PolarHBondContact O-N 3.08Å; L559-I561 VanDerWaalsContact C-N 3.33Å; L559-I561 PolarHBondContact O-N 3.47Å; L559-R562 WeakPolarHBondContact O-CB 3.29Å; L559-R562 VanDerWaalsContact O-CG 3.3Å; L559-R562 WeakPolarHBondContact O-CG 3.47Å; L559-R562 PolarHBondContact O-N 3.4Å
560	L	90.1	Very high	85.5	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-72.7	-14.6	-179.2	-71.3	172.6	0	0	0	114.8	V441 I468 I472 F517 F521 I528 L556 A557 R562 P563	V441-L560 HydrophobicContact CG1-CD2 4.03Å; I468-L560 HydrophobicContact CG2-CD1 4.31Å; I472-L560 HydrophobicContact CD1-CD2 3.97Å; I472-L560 HydrophobicContact CG1-CD2 3.96Å; F517-L560 WeakPolarHBondContact CE1-O 3.34Å; F517-L560 HydrophobicContact CE2-CD2 4.23Å; F517-L560 HydrophobicContact CZ-CB 4.27Å; F517-L560 HydrophobicContact CZ-CD2 4.17Å; F517-L560 VanDerWaalsContact CZ-O 3.26Å; F517-L560 WeakPolarHBondContact CZ-O 3.24Å; F521-L560 HydrophobicContact CE2-CB 4Å; F521-L560 WeakPolarHBondContact CE2-O 3.19Å; I528-L560 HydrophobicContact CD1-CD1 3.8Å; L556-L560 HydrophobicContact CD1-CD1 4.06Å; L556-L560 HydrophobicContact CD1-CG 4.16Å; L556-L560 HydrophobicContact CG-CD1 3.95Å; L556-L560 HydrophobicContact CG-CG 4.47Å; L556-L560 WeakPolarHBondContact O-CB 3.31Å; L556-L560 VanDerWaalsContact O-CG 3.28Å; L556-L560 WeakPolarHBondContact O-CG 3.49Å; L556-L560 PolarHBondContact O-N 3.24Å; A557-L560 PolarHBondContact O-N 3.24Å; L560-R562 VanDerWaalsContact C-N 3.32Å; L560-P563 WeakPolarHBondContact O-CD 3.33Å
561	I	88.9	Confident	86.1	Confident	48 Å²	48	40.3 Å²	40.3	25%	0.246	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-21	170.5	-164.2	66.4	0	0	0	112.5	F521 A557 E558 L559 V564 Q565	F521-I561 HydrophobicContact CD1-CD1 4.39Å; F521-I561 HydrophobicContact CE1-CD1 3.53Å; F521-I561 HydrophobicContact CE2-CD1 4.34Å; F521-I561 HydrophobicContact CZ-CB 4.08Å; F521-I561 HydrophobicContact CZ-CD1 3.5Å; F521-I561 HydrophobicContact CZ-CG1 4.37Å; A557-I561 PolarHBondContact O-N 2.98Å; A557-I561 VanDerWaalsContact O-N 3.1Å; E558-I561 WeakPolarHBondContact O-CG2 3.37Å; L559-I561 VanDerWaalsContact C-N 3.33Å; L559-I561 PolarHBondContact O-N 3.47Å; I561-V564 HydrophobicContact CD1-CB 4.15Å; I561-V564 HydrophobicContact CD1-CG2 4.15Å; I561-V564 WeakPolarHBondContact O-CB 3.37Å; I561-V564 PolarHBondContact O-N 3.04Å; I561-V564 VanDerWaalsContact O-N 3.09Å; I561-Q565 HydrophobicContact CG1-CG 4.33Å; I561-Q565 PolarHBondContact O-N 3.22Å
562	R	87.6	Confident	86.8	Confident	65 Å²	65	45.7 Å²	45.7	25%	0.245	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-39.8	-173.1	-60	-62.1	-169.5	147.1	5	113.9	I390 Y434 I437 L559 L560 V564 Q565 R566	I390-R562 PolarHBondContact O-NH2 3.24Å; Y434-R562 HydrophobicContact CD2-CB 4.44Å; Y434-R562 HydrophobicContact CE2-CB 4.22Å; I437-R562 HydrophobicContact CG2-CG 4.44Å; L559-R562 WeakPolarHBondContact O-CB 3.29Å; L559-R562 VanDerWaalsContact O-CG 3.3Å; L559-R562 WeakPolarHBondContact O-CG 3.47Å; L559-R562 PolarHBondContact O-N 3.4Å; L560-R562 VanDerWaalsContact C-N 3.32Å; R562-V564 PolarHBondContact O-N 3.4Å; R562-Q565 PolarHBondContact O-N 3.45Å; R562-R566 PolarHBondContact O-N 3.46Å
563	P	90.3	Very high	87.7	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.013	23%	0.231	C	C	.	.	H	α-helix	trans	-59.1	-45.5	172.8	-23.4	33.5	0	0	0	113.1	Y434 L438 I472 I475 Y514 F517 L560 Q565 R566	Y434-P563 HydrophobicContact CE2-CG 4.32Å; Y434-P563 VanDerWaalsContact OH-CA 3.25Å; Y434-P563 WeakPolarHBondContact OH-CA 3.45Å; Y434-P563 VanDerWaalsContact OH-CB 3.3Å; Y434-P563 WeakPolarHBondContact OH-CB 3.43Å; L438-P563 HydrophobicContact CD2-CG 4.15Å; I472-P563 HydrophobicContact CD1-CG 3.74Å; I475-P563 HydrophobicContact CD1-CB 4.41Å; Y514-P563 HydrophobicContact CE1-CB 4.01Å; Y514-P563 WeakPolarHBondContact CE1-O 3.23Å; F517-P563 HydrophobicContact CD1-CB 4.06Å; F517-P563 HydrophobicContact CD1-CG 4.43Å; F517-P563 HydrophobicContact CE1-CB 3.86Å; F517-P563 HydrophobicContact CE1-CG 3.88Å; F517-P563 HydrophobicContact CZ-CG 4.42Å; L560-P563 WeakPolarHBondContact O-CD 3.33Å; P563-Q565 PolarHBondContact O-N 2.88Å; P563-Q565 VanDerWaalsContact O-N 3.1Å; P563-R566 PolarHBondContact O-N 3.47Å
564	V	87.9	Confident	88.5	Confident	51 Å²	51	36.5 Å²	36.5	31%	0.309	20%	0.197	S	C	.	.	H	α-helix	trans	-57.6	-29.1	179.5	-165.8	0	0	0	0	111.2	F517 F521 I561 R562	F517-V564 HydrophobicContact CE1-CG2 4.06Å; F521-V564 HydrophobicContact CD2-CG2 4.36Å; F521-V564 HydrophobicContact CG-CG2 4.33Å; I561-V564 HydrophobicContact CD1-CB 4.15Å; I561-V564 HydrophobicContact CD1-CG2 4.15Å; I561-V564 WeakPolarHBondContact O-CB 3.37Å; I561-V564 PolarHBondContact O-N 3.04Å; I561-V564 VanDerWaalsContact O-N 3.09Å; R562-V564 PolarHBondContact O-N 3.4Å
565	Q	86.4	Confident	89.1	Confident	93 Å²	93	36.4 Å²	36.4	44%	0.435	20%	0.201	S	C	.	.	H	α-helix	trans	-91.1	-23.8	178.9	-64.5	172.9	-17	0	0	114.1	I561 R562 P563 L567 P568 S569	I561-Q565 HydrophobicContact CG1-CG 4.33Å; I561-Q565 PolarHBondContact O-N 3.22Å; R562-Q565 PolarHBondContact O-N 3.45Å; P563-Q565 PolarHBondContact O-N 2.88Å; P563-Q565 VanDerWaalsContact O-N 3.1Å; Q565-L567 PolarHBondContact O-N 3.25Å; Q565-P568 WeakPolarHBondContact O-CD 3.42Å; Q565-S569 PolarHBondContact O-N 2.83Å; Q565-S569 PolarHBondContact O-OG 3.47Å
566	R	92.2	Very high	89.3	Confident	19 Å²	19	36.3 Å²	36.3	7%	0.072	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-44.2	-170.6	-174.9	66.8	-174.9	153.8	3.5	113.3	T430 E431 Y434 R562 P563 S569 V570	T430-R566 VanDerWaalsContact CB-NH1 3.33Å; T430-R566 PolarHBondContact OG1-NH1 3.29Å; T430-R566 PolarHBondContact OG1-NH2 2.87Å; E431-R566 IonicContact OE2-CZ 2.69Å; E431-R566 VanDerWaalsContact OE2-CZ 3.22Å; E431-R566 IonicContact OE2-NE 3.94Å; E431-R566 PolarHBondContact OE2-NE 3.35Å; E431-R566 IonicContact OE2-NH2 3.15Å; E431-R566 PolarHBondContact OE2-NH2 3.09Å; Y434-R566 HydrophobicContact CD1-CG 3.81Å; Y434-R566 HydrophobicContact CD2-CB 4.39Å; Y434-R566 HydrophobicContact CD2-CG 4.33Å; Y434-R566 HydrophobicContact CE1-CB 4.21Å; Y434-R566 HydrophobicContact CE1-CG 3.76Å; Y434-R566 HydrophobicContact CE2-CB 4.03Å; Y434-R566 HydrophobicContact CE2-CG 4.29Å; Y434-R566 HydrophobicContact CG-CG 4.09Å; R562-R566 PolarHBondContact O-N 3.46Å; P563-R566 PolarHBondContact O-N 3.47Å; R566-S569 WeakPolarHBondContact O-CB 3.36Å; R566-S569 PolarHBondContact O-N 3.22Å; R566-V570 HydrophobicContact CG-CG2 4.19Å; R566-V570 WeakPolarHBondContact O-CG2 3.42Å; R566-V570 PolarHBondContact O-N 3.03Å
567	L	90.9	Very high	89.3	Confident	6 Å²	6	36.3 Å²	36.3	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-62.1	-48.9	-176.8	-61.8	-180	0	0	0	112.4	L510 Y514 Q565 S569 V570 A571 L598 V601 M602 I605	L510-L567 HydrophobicContact CD1-CD2 4.31Å; L510-L567 HydrophobicContact CD2-CD2 4.41Å; Y514-L567 HydrophobicContact CD1-CD1 3.79Å; Y514-L567 HydrophobicContact CD1-CG 4.3Å; Y514-L567 HydrophobicContact CD2-CD1 4.07Å; Y514-L567 HydrophobicContact CE1-CD1 3.94Å; Y514-L567 HydrophobicContact CE1-CG 3.93Å; Y514-L567 HydrophobicContact CE2-CD1 4.21Å; Y514-L567 HydrophobicContact CE2-CD2 4.1Å; Y514-L567 HydrophobicContact CE2-CG 4.28Å; Y514-L567 HydrophobicContact CG-CD1 3.85Å; Q565-L567 PolarHBondContact O-N 3.25Å; L567-S569 VanDerWaalsContact C-N 3.31Å; L567-S569 PolarHBondContact O-N 2.89Å; L567-V570 PolarHBondContact O-N 3.11Å; L567-A571 PolarHBondContact O-N 2.86Å; L567-L598 HydrophobicContact CB-CD2 4.17Å; L567-L598 HydrophobicContact CD2-CD1 4.43Å; L567-L598 WeakPolarHBondContact O-CD2 3.44Å; L567-V601 HydrophobicContact CD1-CG1 3.95Å; L567-M602 HydrophobicContact CB-CG 4.16Å; L567-M602 HydrophobicContact CB-SD 4.2Å; L567-I605 HydrophobicContact CD1-CD1 3.68Å
568	P	87.2	Confident	89.5	Confident	59 Å²	59	36.8 Å²	36.8	38%	0.383	19%	0.194	S	C	.	.	H	α-helix	trans	-53.7	-42.1	170.7	-28.5	34.2	0	0	0	114.2	Q565 A571 L572 M602	Q565-P568 WeakPolarHBondContact O-CD 3.42Å; P568-A571 PolarHBondContact O-N 3.08Å; P568-L572 PolarHBondContact O-N 3.42Å; P568-M602 HydrophobicContact CB-SD 4.39Å; P568-M602 HydrophobicContact CG-SD 3.84Å
569	S	88.7	Confident	89.8	Confident	41 Å²	41	39.2 Å²	39.2	29%	0.287	20%	0.203	S	C	.	.	H	α-helix	trans	-64.5	-41	177.9	-58.9	0	0	0	0	112.9	Q565 R566 L567 L572 L573	Q565-S569 PolarHBondContact O-N 2.83Å; Q565-S569 PolarHBondContact O-OG 3.47Å; R566-S569 WeakPolarHBondContact O-CB 3.36Å; R566-S569 PolarHBondContact O-N 3.22Å; L567-S569 VanDerWaalsContact C-N 3.31Å; L567-S569 PolarHBondContact O-N 2.89Å; S569-L572 PolarHBondContact O-N 3.14Å; S569-L573 PolarHBondContact O-N 3.26Å; S569-L573 VanDerWaalsContact O-N 3.1Å
570	V	91.3	Very high	89.7	Confident	6 Å²	6	43.6 Å²	43.6	4%	0.036	22%	0.223	C	C	.	.	H	α-helix	trans	-64.8	-39.6	176.5	171	0	0	0	0	111.1	L427 R566 L567 L572 L573 L574 L598	L427-V570 HydrophobicContact CD1-CG1 4.4Å; L427-V570 HydrophobicContact CD1-CG2 4.3Å; R566-V570 HydrophobicContact CG-CG2 4.19Å; R566-V570 WeakPolarHBondContact O-CG2 3.42Å; R566-V570 PolarHBondContact O-N 3.03Å; L567-V570 PolarHBondContact O-N 3.11Å; V570-L572 VanDerWaalsContact C-N 3.29Å; V570-L572 PolarHBondContact O-N 3.44Å; V570-L573 PolarHBondContact O-N 2.79Å; V570-L574 HydrophobicContact CG1-CD1 3.79Å; V570-L574 HydrophobicContact CG1-CG 4.19Å; V570-L574 WeakPolarHBondContact O-CB 3.46Å; V570-L574 VanDerWaalsContact O-CG 3.28Å; V570-L574 WeakPolarHBondContact O-CG 3.4Å; V570-L574 PolarHBondContact O-N 2.78Å; V570-L598 HydrophobicContact CB-CD2 4.36Å; V570-L598 HydrophobicContact CG1-CD1 4.36Å; V570-L598 HydrophobicContact CG1-CD2 4.38Å
571	A	89.9	Confident	89.6	Confident	13 Å²	13	43.7 Å²	43.7	11%	0.107	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-36.5	175.9	0	0	0	0	0	113	L567 P568 S575 L598 M602	L567-A571 PolarHBondContact O-N 2.86Å; P568-A571 PolarHBondContact O-N 3.08Å; A571-S575 WeakPolarHBondContact O-CB 3.17Å; A571-S575 PolarHBondContact O-N 3.02Å; A571-S575 VanDerWaalsContact O-N 3.14Å; A571-S575 PolarHBondContact O-OG 2.74Å; A571-L598 HydrophobicContact CB-CD2 3.83Å; A571-M602 HydrophobicContact CB-CE 4.05Å
572	L	89.6	Confident	89.3	Confident	114 Å²	114	44.6 Å²	44.6	60%	0.597	24%	0.235	S	C	*	.	H	α-helix	trans	-68.2	-50.5	175	-67.2	172.1	0	0	0	111.3	P568 S569 V570 L574 S575 D576	P568-L572 PolarHBondContact O-N 3.42Å; S569-L572 PolarHBondContact O-N 3.14Å; V570-L572 VanDerWaalsContact C-N 3.29Å; V570-L572 PolarHBondContact O-N 3.44Å; L572-L574 PolarHBondContact O-N 3.19Å; L572-S575 CarbonylContact O-C 3.45Å; L572-S575 WeakPolarHBondContact O-CA 3.4Å; L572-S575 VanDerWaalsContact O-CB 3.28Å; L572-S575 WeakPolarHBondContact O-CB 3.49Å; L572-S575 PolarHBondContact O-N 3.15Å; L572-D576 PolarHBondContact O-N 2.71Å
573	L	90.5	Very high	89.1	Confident	18 Å²	18	47.8 Å²	47.8	9%	0.094	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-44.1	178.7	-71	169.5	0	0	0	112.2	V423 E426 L427 S569 V570 S575 D576 I577	V423-L573 HydrophobicContact CG1-CD2 4.29Å; E426-L573 HydrophobicContact CG-CD2 4.22Å; E426-L573 WeakPolarHBondContact OE1-CD2 3.34Å; L427-L573 HydrophobicContact CD1-CB 4.18Å; L427-L573 HydrophobicContact CD1-CD1 3.87Å; S569-L573 PolarHBondContact O-N 3.26Å; S569-L573 VanDerWaalsContact O-N 3.1Å; V570-L573 PolarHBondContact O-N 2.79Å; L573-S575 VanDerWaalsContact C-N 3.29Å; L573-S575 PolarHBondContact O-N 2.87Å; L573-D576 PolarHBondContact O-N 3.02Å; L573-D576 VanDerWaalsContact O-N 3.14Å; L573-I577 WeakPolarHBondContact O-CG1 3.45Å; L573-I577 PolarHBondContact O-N 2.92Å
574	L	92.7	Very high	88.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-37.4	174	-67.8	169.6	0	0	0	112.2	L427 V499 I503 V570 L572 D576 I577 K578 L591 I595	L427-L574 HydrophobicContact CD2-CD2 4.13Å; V499-L574 HydrophobicContact CG1-CD2 4.1Å; I503-L574 HydrophobicContact CG1-CD1 4.11Å; I503-L574 HydrophobicContact CG1-CD2 4.09Å; I503-L574 HydrophobicContact CG2-CD1 4.15Å; V570-L574 HydrophobicContact CG1-CD1 3.79Å; V570-L574 HydrophobicContact CG1-CG 4.19Å; V570-L574 WeakPolarHBondContact O-CB 3.46Å; V570-L574 VanDerWaalsContact O-CG 3.28Å; V570-L574 WeakPolarHBondContact O-CG 3.4Å; V570-L574 PolarHBondContact O-N 2.78Å; L572-L574 PolarHBondContact O-N 3.19Å; L574-D576 VanDerWaalsContact C-N 3.31Å; L574-D576 PolarHBondContact O-N 2.95Å; L574-I577 PolarHBondContact O-N 2.77Å; L574-K578 PolarHBondContact O-N 2.82Å; L574-L591 HydrophobicContact CB-CD2 4.5Å; L574-L591 HydrophobicContact CD2-CD2 3.78Å; L574-I595 HydrophobicContact CB-CD1 4.17Å; L574-I595 HydrophobicContact CB-CG1 3.65Å
575	S	91.2	Very high	88.4	Confident	38 Å²	38	53.6 Å²	53.6	27%	0.266	29%	0.286	S	S	.	.	H	α-helix	trans	-65.1	-35.6	175.1	-59.7	0	0	0	0	112	A571 L572 L573 K578 K579	A571-S575 WeakPolarHBondContact O-CB 3.17Å; A571-S575 PolarHBondContact O-N 3.02Å; A571-S575 VanDerWaalsContact O-N 3.14Å; A571-S575 PolarHBondContact O-OG 2.74Å; L572-S575 CarbonylContact O-C 3.45Å; L572-S575 WeakPolarHBondContact O-CA 3.4Å; L572-S575 VanDerWaalsContact O-CB 3.28Å; L572-S575 WeakPolarHBondContact O-CB 3.49Å; L572-S575 PolarHBondContact O-N 3.15Å; L573-S575 VanDerWaalsContact C-N 3.29Å; L573-S575 PolarHBondContact O-N 2.87Å; S575-K578 PolarHBondContact O-N 2.74Å; S575-K579 WeakPolarHBondContact O-CG 3.25Å; S575-K579 PolarHBondContact O-N 3.45Å; S575-K579 VanDerWaalsContact O-N 3.1Å
576	D	90	Very high	88.2	Confident	52 Å²	52	53.4 Å²	53.4	28%	0.278	29%	0.293	S	S	.	.	H	α-helix	trans	-76.1	-33.8	175.6	-73.1	-44.5	0	0	0	113	V423 L572 L573 L574 K578 K579 H580	V423-D576 HydrophobicContact CG1-CB 4.11Å; L572-D576 PolarHBondContact O-N 2.71Å; L573-D576 PolarHBondContact O-N 3.02Å; L573-D576 VanDerWaalsContact O-N 3.14Å; L574-D576 VanDerWaalsContact C-N 3.31Å; L574-D576 PolarHBondContact O-N 2.95Å; D576-K578 VanDerWaalsContact C-N 3.33Å; D576-K579 PolarHBondContact O-N 2.96Å; D576-K579 VanDerWaalsContact OD1-CD 3.32Å; D576-K579 WeakPolarHBondContact OD1-CD 3.38Å; D576-K579 WeakPolarHBondContact OD1-CE 3.39Å; D576-K579 IonicContact OD1-NZ 3.49Å; D576-K579 PolarHBondContact OD1-NZ 2.84Å; D576-H580 PolarHBondContact O-N 2.92Å; D576-H580 PolarHBondContact O-ND1 3.15Å
577	I	90.3	Very high	87.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-44.1	167.3	-62.1	169.5	0	0	0	109.6	R420 V423 L427 V499 L573 L574 K579 H580 T581 L591	R420-I577 HydrophobicContact CG-CG2 3.97Å; V423-I577 HydrophobicContact CB-CG1 3.87Å; V423-I577 HydrophobicContact CG1-CD1 4.46Å; V423-I577 HydrophobicContact CG1-CG1 3.62Å; L427-I577 HydrophobicContact CB-CD1 4.46Å; L427-I577 HydrophobicContact CD2-CD1 3.97Å; V499-I577 HydrophobicContact CG1-CD1 4.11Å; V499-I577 HydrophobicContact CG2-CG2 4.46Å; L573-I577 WeakPolarHBondContact O-CG1 3.45Å; L573-I577 PolarHBondContact O-N 2.92Å; L574-I577 PolarHBondContact O-N 2.77Å; I577-K579 VanDerWaalsContact C-N 3.35Å; I577-K579 PolarHBondContact O-N 3.12Å; I577-H580 CarbonylContact O-C 3.59Å; I577-H580 PolarHBondContact O-N 2.71Å; I577-H580 VanDerWaalsContact O-N 3.13Å; I577-T581 PolarHBondContact O-N 3.23Å; I577-T581 PolarHBondContact O-OG1 3.27Å; I577-L591 HydrophobicContact CB-CD1 4.37Å; I577-L591 HydrophobicContact CB-CD2 4.4Å; I577-L591 HydrophobicContact CG2-CD1 3.71Å; I577-L591 HydrophobicContact CG2-CD2 4.15Å
578	K	91.6	Very high	87.8	Confident	44 Å²	44	54 Å²	54	19%	0.191	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-39.8	177.7	-164	-164.9	-179.1	-160.3	0	112.5	L574 S575 D576 H580 T581 K588 L591 E592 I595	L574-K578 PolarHBondContact O-N 2.82Å; S575-K578 PolarHBondContact O-N 2.74Å; D576-K578 VanDerWaalsContact C-N 3.33Å; K578-H580 VanDerWaalsContact C-N 3.29Å; K578-H580 PolarHBondContact O-N 3.49Å; K578-T581 PolarHBondContact O-N 3.14Å; K578-K588 HydrophobicContact CG-CG 3.94Å; K578-L591 HydrophobicContact CB-CB 4.32Å; K578-L591 HydrophobicContact CB-CD1 4.27Å; K578-L591 HydrophobicContact CG-CB 4.34Å; K578-E592 IonicContact NZ-OE1 3.42Å; K578-E592 PolarHBondContact NZ-OE1 3.13Å; K578-E592 IonicContact NZ-OE2 2.86Å; K578-E592 PolarHBondContact NZ-OE2 3.01Å; K578-I595 HydrophobicContact CB-CD1 4.36Å; K578-I595 HydrophobicContact CD-CD1 4.34Å
579	K	90.8	Very high	87.9	Confident	147 Å²	147	56.7 Å²	56.7	64%	0.639	31%	0.305	S	S	*	.	H	α-helix	trans	-61.1	-35.8	175.6	-71.2	169.5	-159.3	166.3	0	112.6	S575 D576 I577 T581	S575-K579 WeakPolarHBondContact O-CG 3.25Å; S575-K579 PolarHBondContact O-N 3.45Å; S575-K579 VanDerWaalsContact O-N 3.1Å; D576-K579 PolarHBondContact O-N 2.96Å; D576-K579 VanDerWaalsContact OD1-CD 3.32Å; D576-K579 WeakPolarHBondContact OD1-CD 3.38Å; D576-K579 WeakPolarHBondContact OD1-CE 3.39Å; D576-K579 IonicContact OD1-NZ 3.49Å; D576-K579 PolarHBondContact OD1-NZ 2.84Å; I577-K579 VanDerWaalsContact C-N 3.35Å; I577-K579 PolarHBondContact O-N 3.12Å; K579-T581 VanDerWaalsContact C-N 3.34Å
580	H	86.8	Confident	88.1	Confident	97 Å²	97	55.5 Å²	55.5	45%	0.449	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	10.6	-179.9	-61.2	100.6	0	0	0	113.8	A419 R420 D576 I577 K578	A419-H580 HydrophobicContact CB-CB 4.23Å; R420-H580 HydrophobicContact CB-CB 4.25Å; D576-H580 PolarHBondContact O-N 2.92Å; D576-H580 PolarHBondContact O-ND1 3.15Å; I577-H580 CarbonylContact O-C 3.59Å; I577-H580 PolarHBondContact O-N 2.71Å; I577-H580 VanDerWaalsContact O-N 3.13Å; K578-H580 VanDerWaalsContact C-N 3.29Å; K578-H580 PolarHBondContact O-N 3.49Å
581	T	86.9	Confident	88.1	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.031	30%	0.295	C	S	.	.	S	Bend	trans	-106.4	130.6	179.7	-58.4	0	0	0	0	110.4	R420 I577 K578 K579 N585 K588	R420-T581 VanDerWaalsContact CD-OG1 3.24Å; R420-T581 WeakPolarHBondContact CD-OG1 2.81Å; R420-T581 PolarHBondContact NE-OG1 3.02Å; I577-T581 PolarHBondContact O-N 3.23Å; I577-T581 PolarHBondContact O-OG1 3.27Å; K578-T581 PolarHBondContact O-N 3.14Å; K579-T581 VanDerWaalsContact C-N 3.34Å; T581-N585 HydrophobicContact CG2-CB 3.72Å; T581-K588 HydrophobicContact CG2-CB 3.93Å; T581-K588 HydrophobicContact CG2-CG 4.35Å; T581-K588 WeakPolarHBondContact O-CD 3.43Å; T581-K588 VanDerWaalsContact O-CE 3.24Å; T581-K588 WeakPolarHBondContact O-CE 3.41Å; T581-K588 PolarHBondContact O-NZ 2.94Å
582	S	82.8	Confident	88.3	Confident	67 Å²	67	59.5 Å²	59.5	47%	0.469	31%	0.313	S	S	.	.			trans	-67.7	150.9	177.9	51.3	0	0	0	0	112.2	D584 N585	S582-D584 VanDerWaalsContact C-N 3.26Å; S582-D584 PolarHBondContact O-N 3.38Å; S582-N585 VanDerWaalsContact O-CB 3.25Å; S582-N585 WeakPolarHBondContact O-CB 3.43Å; S582-N585 PolarHBondContact O-N 3.13Å; S582-N585 VanDerWaalsContact O-N 3.08Å
583	D	83.1	Confident	88.5	Confident	131 Å²	131	60.9 Å²	60.9	70%	0.701	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-24.3	-177.3	-64.3	-80.3	0	0	0	113.5	N585 K588	D583-N585 PolarHBondContact O-N 3.2Å; D583-K588 HydrophobicContact CB-CD 4.48Å; D583-K588 WeakPolarHBondContact OD1-CD 3.44Å; D583-K588 VanDerWaalsContact OD1-CE 3.27Å; D583-K588 WeakPolarHBondContact OD1-CE 3.45Å; D583-K588 IonicContact OD1-NZ 3.51Å; D583-K588 PolarHBondContact OD1-NZ 2.97Å; D583-K588 IonicContact OD2-NZ 3.55Å; D583-K588 PolarHBondContact OD2-NZ 3.06Å
584	D	81.1	Confident	88.6	Confident	156 Å²	156	60 Å²	60	83%	0.834	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-6.7	172.3	-46	-77.5	0	0	0	113.5	S582	S582-D584 VanDerWaalsContact C-N 3.26Å; S582-D584 PolarHBondContact O-N 3.38Å
585	N	82.4	Confident	88.7	Confident	20 Å²	20	60.7 Å²	60.7	11%	0.107	31%	0.309	C	S	.	.			trans	-91.2	127.8	-174.6	-161.9	-70.1	0	0	0	112	R420 E495 T581 S582 D583 D587 K588	R420-N585 PolarHBondContact NH1-ND2 2.84Å; E495-N585 PolarHBondContact O-ND2 3.07Å; T581-N585 HydrophobicContact CG2-CB 3.72Å; S582-N585 VanDerWaalsContact O-CB 3.25Å; S582-N585 WeakPolarHBondContact O-CB 3.43Å; S582-N585 PolarHBondContact O-N 3.13Å; S582-N585 VanDerWaalsContact O-N 3.08Å; D583-N585 PolarHBondContact O-N 3.2Å; N585-D587 PolarHBondContact O-N 3.4Å; N585-D587 VanDerWaalsContact OD1-CB 3.29Å; N585-D587 WeakPolarHBondContact OD1-CB 3.34Å; N585-D587 PolarHBondContact OD1-N 3.46Å; N585-K588 WeakPolarHBondContact O-CB 3.3Å; N585-K588 PolarHBondContact O-N 2.99Å
586	P	82.4	Confident	88.8	Confident	88 Å²	88	63.3 Å²	63.3	57%	0.571	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.8	-179.4	25.1	-34.7	0	0	0	113.5	K588 I589 T590	P586-K588 PolarHBondContact O-N 3.38Å; P586-I589 PolarHBondContact O-N 3.17Å; P586-T590 PolarHBondContact O-N 2.94Å
587	D	85.8	Confident	89	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.011	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-22.2	177.5	-168.6	42.4	0	0	0	112.3	R420 S498 V499 G500 N585 I589 T590 L591	R420-D587 IonicContact CZ-OD2 2.73Å; R420-D587 IonicContact NE-OD2 3.52Å; R420-D587 VanDerWaalsContact NH2-CB 3.29Å; R420-D587 VanDerWaalsContact NH2-CG 3.31Å; R420-D587 IonicContact NH2-OD2 2.71Å; R420-D587 PolarHBondContact NH2-OD2 2.78Å; S498-D587 VanDerWaalsContact CA-OD1 3.23Å; S498-D587 WeakPolarHBondContact CA-OD1 3.46Å; S498-D587 PolarHBondContact OG-OD1 3.35Å; S498-D587 VanDerWaalsContact OG-OD1 3.13Å; V499-D587 PolarHBondContact N-OD1 3.44Å; V499-D587 PolarHBondContact N-OD2 3.12Å; G500-D587 PolarHBondContact N-OD1 3.21Å; N585-D587 PolarHBondContact O-N 3.4Å; N585-D587 VanDerWaalsContact OD1-CB 3.29Å; N585-D587 WeakPolarHBondContact OD1-CB 3.34Å; N585-D587 PolarHBondContact OD1-N 3.46Å; D587-I589 PolarHBondContact O-N 3.48Å; D587-T590 VanDerWaalsContact CA-OG1 3.3Å; D587-T590 WeakPolarHBondContact CA-OG1 3.5Å; D587-T590 PolarHBondContact O-N 2.83Å; D587-T590 PolarHBondContact O-OG1 3.1Å; D587-T590 VanDerWaalsContact O-OG1 3.11Å; D587-T590 PolarHBondContact OD1-OG1 3.5Å; D587-L591 WeakPolarHBondContact O-CB 3.42Å; D587-L591 WeakPolarHBondContact O-CD1 3.41Å; D587-L591 WeakPolarHBondContact O-CG 3.24Å; D587-L591 PolarHBondContact O-N 3.01Å; D587-L591 WeakPolarHBondContact OD2-CD1 3.31Å
588	K	88.4	Confident	89.1	Confident	35 Å²	35	61.8 Å²	61.8	15%	0.152	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-31.4	178.7	-155.4	171.2	-167	163.3	0	112.4	K578 T581 D583 N585 P586 E592	K578-K588 HydrophobicContact CG-CG 3.94Å; T581-K588 HydrophobicContact CG2-CB 3.93Å; T581-K588 HydrophobicContact CG2-CG 4.35Å; T581-K588 WeakPolarHBondContact O-CD 3.43Å; T581-K588 VanDerWaalsContact O-CE 3.24Å; T581-K588 WeakPolarHBondContact O-CE 3.41Å; T581-K588 PolarHBondContact O-NZ 2.94Å; D583-K588 HydrophobicContact CB-CD 4.48Å; D583-K588 WeakPolarHBondContact OD1-CD 3.44Å; D583-K588 VanDerWaalsContact OD1-CE 3.27Å; D583-K588 WeakPolarHBondContact OD1-CE 3.45Å; D583-K588 IonicContact OD1-NZ 3.51Å; D583-K588 PolarHBondContact OD1-NZ 2.97Å; D583-K588 IonicContact OD2-NZ 3.55Å; D583-K588 PolarHBondContact OD2-NZ 3.06Å; N585-K588 WeakPolarHBondContact O-CB 3.3Å; N585-K588 PolarHBondContact O-N 2.99Å; P586-K588 PolarHBondContact O-N 3.38Å; K588-E592 PolarHBondContact O-N 3.08Å
589	I	90.1	Very high	89	Confident	116 Å²	116	63.9 Å²	63.9	60%	0.595	32%	0.32	S	S	*	.	H	α-helix	trans	-82.8	-37.7	177.8	-58.8	173.5	0	0	0	110.9	P586 D587 E592 R593	P586-I589 PolarHBondContact O-N 3.17Å; D587-I589 PolarHBondContact O-N 3.48Å; I589-E592 PolarHBondContact O-N 2.94Å; I589-R593 WeakPolarHBondContact O-CG 3.37Å; I589-R593 PolarHBondContact O-N 3.18Å; I589-R593 VanDerWaalsContact O-N 3.1Å
590	T	91.8	Very high	89.1	Confident	16 Å²	16	62.6 Å²	62.6	10%	0.098	32%	0.316	C	S	.	.	H	α-helix	trans	-71.9	-37.6	176.8	62.8	0	0	0	0	111	S498 D501 P586 D587 R593 A594	S498-T590 PolarHBondContact OG-OG1 3.4Å; D501-T590 WeakPolarHBondContact OD1-CG2 3.49Å; D501-T590 WeakPolarHBondContact OD2-CG2 3Å; P586-T590 PolarHBondContact O-N 2.94Å; D587-T590 VanDerWaalsContact CA-OG1 3.3Å; D587-T590 WeakPolarHBondContact CA-OG1 3.5Å; D587-T590 PolarHBondContact O-N 2.83Å; D587-T590 PolarHBondContact O-OG1 3.1Å; D587-T590 VanDerWaalsContact O-OG1 3.11Å; D587-T590 PolarHBondContact OD1-OG1 3.5Å; T590-R593 PolarHBondContact O-N 3.37Å; T590-A594 VanDerWaalsContact O-CB 3.27Å; T590-A594 WeakPolarHBondContact O-CB 3.19Å; T590-A594 PolarHBondContact O-N 3.48Å
591	L	92.6	Very high	89.3	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-45.2	170.1	-75.6	167.3	0	0	0	112.3	V499 L574 I577 K578 D587 R593 A594 I595	V499-L591 HydrophobicContact CB-CD2 4.17Å; L574-L591 HydrophobicContact CB-CD2 4.5Å; L574-L591 HydrophobicContact CD2-CD2 3.78Å; I577-L591 HydrophobicContact CB-CD1 4.37Å; I577-L591 HydrophobicContact CB-CD2 4.4Å; I577-L591 HydrophobicContact CG2-CD1 3.71Å; I577-L591 HydrophobicContact CG2-CD2 4.15Å; K578-L591 HydrophobicContact CB-CB 4.32Å; K578-L591 HydrophobicContact CB-CD1 4.27Å; K578-L591 HydrophobicContact CG-CB 4.34Å; D587-L591 WeakPolarHBondContact O-CB 3.42Å; D587-L591 WeakPolarHBondContact O-CD1 3.41Å; D587-L591 WeakPolarHBondContact O-CG 3.24Å; D587-L591 PolarHBondContact O-N 3.01Å; D587-L591 WeakPolarHBondContact OD2-CD1 3.31Å; L591-R593 VanDerWaalsContact C-N 3.35Å; L591-R593 PolarHBondContact O-N 2.9Å; L591-A594 PolarHBondContact O-N 2.95Å; L591-I595 WeakPolarHBondContact O-CB 3.3Å; L591-I595 WeakPolarHBondContact O-CD1 3.22Å; L591-I595 WeakPolarHBondContact O-CG1 3.31Å; L591-I595 PolarHBondContact O-N 3.31Å
592	E	93.3	Very high	89.3	Confident	104 Å²	104	60.1 Å²	60.1	49%	0.486	31%	0.305	S	S	.	.	H	α-helix	trans	-56.4	-49.2	174.2	-178.7	118.3	-106	0	0	111.3	K578 K588 I589 A594 I595 E596	K578-E592 IonicContact NZ-OE1 3.42Å; K578-E592 PolarHBondContact NZ-OE1 3.13Å; K578-E592 IonicContact NZ-OE2 2.86Å; K578-E592 PolarHBondContact NZ-OE2 3.01Å; K588-E592 PolarHBondContact O-N 3.08Å; I589-E592 PolarHBondContact O-N 2.94Å; E592-A594 VanDerWaalsContact C-N 3.34Å; E592-A594 PolarHBondContact O-N 3.35Å; E592-I595 PolarHBondContact O-N 3.43Å; E592-E596 PolarHBondContact O-N 3.45Å
593	R	93.1	Very high	89.6	Confident	143 Å²	143	61.4 Å²	61.4	54%	0.54	31%	0.31	S	S	.	.	H	α-helix	trans	-65.2	-35.7	177.3	-69.9	171.4	63.1	-133	-5.3	112.5	L504 I589 T590 L591 S597	L504-R593 HydrophobicContact CD1-CB 4.03Å; L504-R593 HydrophobicContact CD2-CB 4.22Å; I589-R593 WeakPolarHBondContact O-CG 3.37Å; I589-R593 PolarHBondContact O-N 3.18Å; I589-R593 VanDerWaalsContact O-N 3.1Å; T590-R593 PolarHBondContact O-N 3.37Å; L591-R593 VanDerWaalsContact C-N 3.35Å; L591-R593 PolarHBondContact O-N 2.9Å; R593-S597 VanDerWaalsContact O-CB 3.26Å; R593-S597 WeakPolarHBondContact O-CB 3.34Å; R593-S597 PolarHBondContact O-N 3.25Å
594	A	94.2	Very high	89.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.5	-44.7	176.8	0	0	0	0	0	111.6	I503 L504 T590 L591 E592 S597 L598	I503-A594 HydrophobicContact CB-CB 4.09Å; I503-A594 HydrophobicContact CG2-CB 4.18Å; L504-A594 HydrophobicContact CD2-CB 4.49Å; L504-A594 HydrophobicContact CG-CB 4.09Å; T590-A594 VanDerWaalsContact O-CB 3.27Å; T590-A594 WeakPolarHBondContact O-CB 3.19Å; T590-A594 PolarHBondContact O-N 3.48Å; L591-A594 PolarHBondContact O-N 2.95Å; E592-A594 VanDerWaalsContact C-N 3.34Å; E592-A594 PolarHBondContact O-N 3.35Å; A594-S597 PolarHBondContact O-N 3.24Å; A594-L598 WeakPolarHBondContact O-CB 3.42Å; A594-L598 PolarHBondContact O-N 3.42Å
595	I	93.9	Very high	90.3	Very high	14 Å²	14	52.6 Å²	52.6	7%	0.072	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-45.8	175.1	-68.4	159.1	0	0	0	110.2	L574 K578 L591 E592 L598 K599	L574-I595 HydrophobicContact CB-CD1 4.17Å; L574-I595 HydrophobicContact CB-CG1 3.65Å; K578-I595 HydrophobicContact CB-CD1 4.36Å; K578-I595 HydrophobicContact CD-CD1 4.34Å; L591-I595 WeakPolarHBondContact O-CB 3.3Å; L591-I595 WeakPolarHBondContact O-CD1 3.22Å; L591-I595 WeakPolarHBondContact O-CG1 3.31Å; L591-I595 PolarHBondContact O-N 3.31Å; E592-I595 PolarHBondContact O-N 3.43Å; I595-L598 PolarHBondContact O-N 2.87Å; I595-K599 WeakPolarHBondContact O-CG 3.25Å; I595-K599 PolarHBondContact O-N 2.96Å
596	E	93.5	Very high	90.5	Very high	92 Å²	92	56.2 Å²	56.2	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-67.3	-44.6	179.2	-154.2	61.2	-143.4	0	0	111.8	E592 L598 K599 E600	E592-E596 PolarHBondContact O-N 3.45Å; E596-L598 PolarHBondContact O-N 3.31Å; E596-K599 WeakPolarHBondContact O-CA 3.28Å; E596-K599 WeakPolarHBondContact O-CB 3.46Å; E596-K599 PolarHBondContact O-N 3.16Å; E596-K599 WeakPolarHBondContact OE1-CD 3.04Å; E596-K599 IonicContact OE1-NZ 3.72Å; E596-K599 IonicContact OE2-NZ 3.69Å; E596-K599 PolarHBondContact OE2-NZ 2.86Å; E596-E600 WeakPolarHBondContact O-CG 3.43Å; E596-E600 PolarHBondContact O-N 2.84Å
597	S	93.4	Very high	90.7	Very high	20 Å²	20	54.9 Å²	54.9	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-60.6	-34.2	175	-167.7	0	0	0	0	112.2	S507 R593 A594 E600 V601	S507-S597 WeakPolarHBondContact CB-OG 3.41Å; S507-S597 PolarHBondContact OG-OG 3.01Å; R593-S597 VanDerWaalsContact O-CB 3.26Å; R593-S597 WeakPolarHBondContact O-CB 3.34Å; R593-S597 PolarHBondContact O-N 3.25Å; A594-S597 PolarHBondContact O-N 3.24Å; S597-E600 WeakPolarHBondContact O-CB 3.4Å; S597-E600 PolarHBondContact O-N 2.77Å; S597-V601 WeakPolarHBondContact O-CG2 3.4Å; S597-V601 PolarHBondContact O-N 3.34Å
598	L	92.5	Very high	90.7	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-71.1	-31.9	174.2	-144.9	106.9	0	0	0	112.6	I503 L510 L567 V570 A571 A594 I595 E596 V601 M602	I503-L598 HydrophobicContact CG2-CD1 3.76Å; L510-L598 HydrophobicContact CD1-CD1 4.14Å; L567-L598 HydrophobicContact CB-CD2 4.17Å; L567-L598 HydrophobicContact CD2-CD1 4.43Å; L567-L598 WeakPolarHBondContact O-CD2 3.44Å; V570-L598 HydrophobicContact CB-CD2 4.36Å; V570-L598 HydrophobicContact CG1-CD1 4.36Å; V570-L598 HydrophobicContact CG1-CD2 4.38Å; A571-L598 HydrophobicContact CB-CD2 3.83Å; A594-L598 WeakPolarHBondContact O-CB 3.42Å; A594-L598 PolarHBondContact O-N 3.42Å; I595-L598 PolarHBondContact O-N 2.87Å; E596-L598 PolarHBondContact O-N 3.31Å; L598-V601 PolarHBondContact O-N 3.39Å; L598-M602 HydrophobicContact CD2-CE 4.28Å; L598-M602 WeakPolarHBondContact O-CE 3.48Å; L598-M602 WeakPolarHBondContact O-CG 3.33Å; L598-M602 PolarHBondContact O-N 2.84Å
599	K	91.1	Very high	90.4	Very high	88 Å²	88	58.3 Å²	58.3	38%	0.383	28%	0.282	S	S	.	.	H	α-helix	trans	-66.3	-41.5	168.9	-65.1	170.8	-164.9	161.2	0	111.5	I595 E596 V601 M602 T603	I595-K599 WeakPolarHBondContact O-CG 3.25Å; I595-K599 PolarHBondContact O-N 2.96Å; E596-K599 WeakPolarHBondContact O-CA 3.28Å; E596-K599 WeakPolarHBondContact O-CB 3.46Å; E596-K599 PolarHBondContact O-N 3.16Å; E596-K599 WeakPolarHBondContact OE1-CD 3.04Å; E596-K599 IonicContact OE1-NZ 3.72Å; E596-K599 IonicContact OE2-NZ 3.69Å; E596-K599 PolarHBondContact OE2-NZ 2.86Å; K599-V601 VanDerWaalsContact C-N 3.27Å; K599-V601 PolarHBondContact O-N 2.78Å; K599-M602 HydrophobicContact CG-CE 4.34Å; K599-M602 PolarHBondContact O-N 3.11Å; K599-M602 VanDerWaalsContact O-N 3.1Å; K599-T603 PolarHBondContact O-N 3.1Å; K599-T603 PolarHBondContact O-OG1 2.85Å
600	E	91.4	Very high	90.1	Very high	120 Å²	120	60 Å²	60	56%	0.561	28%	0.281	S	S	*	.	H	α-helix	trans	-58.5	-40	173.6	-66.3	174.1	156.1	0	0	111.2	E596 S597 T603 H604	E596-E600 WeakPolarHBondContact O-CG 3.43Å; E596-E600 PolarHBondContact O-N 2.84Å; S597-E600 WeakPolarHBondContact O-CB 3.4Å; S597-E600 PolarHBondContact O-N 2.77Å; E600-T603 PolarHBondContact O-OG1 3.11Å; E600-H604 WeakPolarHBondContact O-CB 3.46Å; E600-H604 PolarHBondContact O-N 2.75Å
601	V	90.7	Very high	89.6	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-47	172	-177	0	0	0	0	111	L510 V511 L567 S597 L598 K599 H604 I605	L510-V601 HydrophobicContact CB-CG1 4.28Å; V511-V601 HydrophobicContact CG2-CB 4.07Å; V511-V601 HydrophobicContact CG2-CG1 4.08Å; V511-V601 HydrophobicContact CG2-CG2 3.42Å; V511-V601 VanDerWaalsContact CG2-CG2 3.42Å; L567-V601 HydrophobicContact CD1-CG1 3.95Å; S597-V601 WeakPolarHBondContact O-CG2 3.4Å; S597-V601 PolarHBondContact O-N 3.34Å; L598-V601 PolarHBondContact O-N 3.39Å; K599-V601 VanDerWaalsContact C-N 3.27Å; K599-V601 PolarHBondContact O-N 2.78Å; V601-H604 PolarHBondContact O-N 2.98Å; V601-I605 HydrophobicContact CG1-CD1 3.8Å; V601-I605 HydrophobicContact CG1-CG1 4.48Å; V601-I605 WeakPolarHBondContact O-CD1 3.24Å; V601-I605 VanDerWaalsContact O-CG1 3.25Å; V601-I605 WeakPolarHBondContact O-CG1 3.43Å; V601-I605 PolarHBondContact O-N 2.88Å
602	M	88.6	Confident	89.2	Confident	50 Å²	50	65.7 Å²	65.7	25%	0.246	31%	0.307	C	S	.	.	H	α-helix	trans	-67.8	-38	-178.7	-70.1	-176.2	-69.4	0	0	113.3	L567 P568 A571 L598 K599 N606	L567-M602 HydrophobicContact CB-CG 4.16Å; L567-M602 HydrophobicContact CB-SD 4.2Å; P568-M602 HydrophobicContact CB-SD 4.39Å; P568-M602 HydrophobicContact CG-SD 3.84Å; A571-M602 HydrophobicContact CB-CE 4.05Å; L598-M602 HydrophobicContact CD2-CE 4.28Å; L598-M602 WeakPolarHBondContact O-CE 3.48Å; L598-M602 WeakPolarHBondContact O-CG 3.33Å; L598-M602 PolarHBondContact O-N 2.84Å; K599-M602 HydrophobicContact CG-CE 4.34Å; K599-M602 PolarHBondContact O-N 3.11Å; K599-M602 VanDerWaalsContact O-N 3.1Å; M602-N606 PolarHBondContact O-N 2.83Å
603	T	88.9	Confident	88.7	Confident	94 Å²	94	64.9 Å²	64.9	58%	0.577	30%	0.303	S	S	*	.	H	α-helix	trans	-71.4	-36.8	174.7	56.9	0	0	0	0	111.7	K599 E600 N606 E607	K599-T603 PolarHBondContact O-N 3.1Å; K599-T603 PolarHBondContact O-OG1 2.85Å; E600-T603 PolarHBondContact O-OG1 3.11Å; T603-N606 PolarHBondContact O-N 2.9Å; T603-E607 WeakPolarHBondContact O-CB 3.47Å; T603-E607 PolarHBondContact O-N 2.88Å
604	H	89.5	Confident	88.2	Confident	85 Å²	85	58.7 Å²	58.7	39%	0.394	29%	0.285	S	S	.	.	H	α-helix	trans	-59.9	-48.9	171.3	-177.4	-78	0	0	0	111.5	E600 V601 N606 E607 D608	E600-H604 WeakPolarHBondContact O-CB 3.46Å; E600-H604 PolarHBondContact O-N 2.75Å; V601-H604 PolarHBondContact O-N 2.98Å; H604-N606 VanDerWaalsContact C-N 3.34Å; H604-N606 PolarHBondContact O-N 2.92Å; H604-E607 PolarHBondContact O-N 2.77Å; H604-D608 VanDerWaalsContact O-CB 3.24Å; H604-D608 WeakPolarHBondContact O-CB 3.45Å; H604-D608 PolarHBondContact O-N 3.29Å
605	I	88.6	Confident	87.7	Confident	16 Å²	16	63.4 Å²	63.4	8%	0.082	31%	0.307	C	S	.	.	H	α-helix	trans	-57.3	-46.5	176.6	-69.9	160.6	0	0	0	111	Y514 P515 V518 L567 V601 E607 D608 K609	Y514-I605 HydrophobicContact CD1-CD1 4.44Å; Y514-I605 HydrophobicContact CG-CD1 4.23Å; P515-I605 HydrophobicContact CG-CG1 3.9Å; V518-I605 HydrophobicContact CB-CG2 3.82Å; V518-I605 HydrophobicContact CG1-CG2 3.63Å; V518-I605 HydrophobicContact CG2-CG2 4.06Å; L567-I605 HydrophobicContact CD1-CD1 3.68Å; V601-I605 HydrophobicContact CG1-CD1 3.8Å; V601-I605 HydrophobicContact CG1-CG1 4.48Å; V601-I605 WeakPolarHBondContact O-CD1 3.24Å; V601-I605 VanDerWaalsContact O-CG1 3.25Å; V601-I605 WeakPolarHBondContact O-CG1 3.43Å; V601-I605 PolarHBondContact O-N 2.88Å; I605-E607 PolarHBondContact O-N 3Å; I605-D608 PolarHBondContact O-N 3.06Å; I605-K609 VanDerWaalsContact O-CB 3.26Å; I605-K609 WeakPolarHBondContact O-CB 3.41Å; I605-K609 PolarHBondContact O-N 2.86Å
606	N	86.8	Confident	87.3	Confident	96 Å²	96	67.8 Å²	67.8	51%	0.513	33%	0.325	S	S	.	.	H	α-helix	trans	-65.9	-39.3	-178.7	-169.7	62.9	0	0	0	112.6	M602 T603 H604 R610	M602-N606 PolarHBondContact O-N 2.83Å; T603-N606 PolarHBondContact O-N 2.9Å; H604-N606 VanDerWaalsContact C-N 3.34Å; H604-N606 PolarHBondContact O-N 2.92Å; N606-R610 WeakPolarHBondContact O-CB 3.29Å; N606-R610 PolarHBondContact O-N 2.8Å
607	E	86.1	Confident	86.9	Confident	60 Å²	60	67.7 Å²	67.7	28%	0.28	33%	0.325	S	S	.	.	H	α-helix	trans	-72.7	-36.7	177.9	176.9	60.8	-176	0	0	112.8	T603 H604 I605 R610 K611	T603-E607 WeakPolarHBondContact O-CB 3.47Å; T603-E607 PolarHBondContact O-N 2.88Å; H604-E607 PolarHBondContact O-N 2.77Å; I605-E607 PolarHBondContact O-N 3Å; E607-R610 VanDerWaalsContact CD-NH2 3.27Å; E607-R610 PolarHBondContact O-N 2.92Å; E607-R610 IonicContact OE1-CZ 2.77Å; E607-R610 IonicContact OE1-NH2 3.48Å; E607-R610 PolarHBondContact OE1-NH2 2.89Å; E607-R610 IonicContact OE2-CZ 3.11Å; E607-R610 IonicContact OE2-NE 2.88Å; E607-R610 PolarHBondContact OE2-NE 3.37Å; E607-R610 IonicContact OE2-NH2 2.75Å; E607-R610 PolarHBondContact OE2-NH2 2.89Å; E607-K611 HydrophobicContact CG-CD 4.38Å; E607-K611 WeakPolarHBondContact O-CG 3.41Å; E607-K611 PolarHBondContact O-N 2.87Å; E607-K611 WeakPolarHBondContact OE1-CE 3.45Å; E607-K611 IonicContact OE1-NZ 2.83Å; E607-K611 PolarHBondContact OE1-NZ 3.49Å
608	D	85.8	Confident	86.7	Confident	50 Å²	50	67 Å²	67	27%	0.267	32%	0.319	S	S	.	.	H	α-helix	trans	-72	-36.5	176.3	-167.8	63.3	0	0	0	111.9	P515 N519 H604 I605 K611 T612	P515-D608 HydrophobicContact CB-CB 4.4Å; P515-D608 VanDerWaalsContact CB-OD2 3.31Å; P515-D608 WeakPolarHBondContact CB-OD2 3.38Å; N519-D608 PolarHBondContact ND2-OD2 3.46Å; H604-D608 VanDerWaalsContact O-CB 3.24Å; H604-D608 WeakPolarHBondContact O-CB 3.45Å; H604-D608 PolarHBondContact O-N 3.29Å; I605-D608 PolarHBondContact O-N 3.06Å; D608-K611 PolarHBondContact O-N 2.76Å; D608-T612 WeakPolarHBondContact O-CB 3.35Å; D608-T612 PolarHBondContact O-N 3.48Å; D608-T612 PolarHBondContact O-OG1 3.31Å
609	K	83.7	Confident	86.4	Confident	59 Å²	59	72.4 Å²	72.4	26%	0.257	34%	0.343	S	S	.	.	H	α-helix	trans	-58.4	-51.8	166.9	179.5	177.7	172.1	179.2	0	111	N519 I605 K611 T612 E613	N519-K609 WeakPolarHBondContact OD1-CA 3.46Å; N519-K609 WeakPolarHBondContact OD1-CB 3.49Å; N519-K609 PolarHBondContact OD1-N 3.42Å; I605-K609 VanDerWaalsContact O-CB 3.26Å; I605-K609 WeakPolarHBondContact O-CB 3.41Å; I605-K609 PolarHBondContact O-N 2.86Å; K609-K611 VanDerWaalsContact C-N 3.28Å; K609-K611 PolarHBondContact O-N 3.31Å; K609-T612 PolarHBondContact O-N 2.72Å; K609-E613 WeakPolarHBondContact CE-OE1 3.33Å; K609-E613 WeakPolarHBondContact CE-OE2 3.23Å; K609-E613 HydrophobicContact CG-CG 4.31Å; K609-E613 IonicContact NZ-OE1 3.05Å; K609-E613 WeakPolarHBondContact O-CG 3.35Å; K609-E613 PolarHBondContact O-N 3.01Å
610	R	82.7	Confident	86.2	Confident	152 Å²	152	71.4 Å²	71.4	57%	0.574	34%	0.342	S	S	*	.	H	α-helix	trans	-56.5	-40.8	178.6	-171.9	174.3	73.3	122.5	3.9	112.1	N606 E607 G614	N606-R610 WeakPolarHBondContact O-CB 3.29Å; N606-R610 PolarHBondContact O-N 2.8Å; E607-R610 VanDerWaalsContact CD-NH2 3.27Å; E607-R610 PolarHBondContact O-N 2.92Å; E607-R610 IonicContact OE1-CZ 2.77Å; E607-R610 IonicContact OE1-NH2 3.48Å; E607-R610 PolarHBondContact OE1-NH2 2.89Å; E607-R610 IonicContact OE2-CZ 3.11Å; E607-R610 IonicContact OE2-NE 2.88Å; E607-R610 PolarHBondContact OE2-NE 3.37Å; E607-R610 IonicContact OE2-NH2 2.75Å; E607-R610 PolarHBondContact OE2-NH2 2.89Å; R610-G614 PolarHBondContact O-N 3.41Å
611	K	81.9	Confident	86.1	Confident	104 Å²	104	65.9 Å²	65.9	45%	0.452	32%	0.316	S	S	.	.	H	α-helix	trans	-65.6	-45	173.6	-74.7	164	-178.8	157.3	0	112.5	E607 D608 K609 G614 Q615	E607-K611 HydrophobicContact CG-CD 4.38Å; E607-K611 WeakPolarHBondContact O-CG 3.41Å; E607-K611 PolarHBondContact O-N 2.87Å; E607-K611 WeakPolarHBondContact OE1-CE 3.45Å; E607-K611 IonicContact OE1-NZ 2.83Å; E607-K611 PolarHBondContact OE1-NZ 3.49Å; D608-K611 PolarHBondContact O-N 2.76Å; K609-K611 VanDerWaalsContact C-N 3.28Å; K609-K611 PolarHBondContact O-N 3.31Å; K611-G614 PolarHBondContact O-N 3.33Å; K611-Q615 WeakPolarHBondContact O-CB 3.1Å; K611-Q615 WeakPolarHBondContact O-CG 3.3Å; K611-Q615 PolarHBondContact O-N 2.86Å
612	T	83.7	Confident	86	Confident	32 Å²	32	67.6 Å²	67.6	20%	0.196	33%	0.326	C	S	.	.	H	α-helix	trans	-64.8	-42.9	180	-57.4	0	0	0	0	111.5	N519 F520 D608 K609 Q615 K616	N519-T612 HydrophobicContact CB-CG2 4.11Å; N519-T612 PolarHBondContact ND2-OG1 2.71Å; F520-T612 HydrophobicContact CZ-CG2 4.22Å; D608-T612 WeakPolarHBondContact O-CB 3.35Å; D608-T612 PolarHBondContact O-N 3.48Å; D608-T612 PolarHBondContact O-OG1 3.31Å; K609-T612 PolarHBondContact O-N 2.72Å; T612-Q615 PolarHBondContact O-N 2.88Å; T612-K616 PolarHBondContact O-N 2.95Å
613	E	82.7	Confident	85.9	Confident	86 Å²	86	70.1 Å²	70.1	40%	0.402	33%	0.334	S	S	.	.	H	α-helix	trans	-64.9	-41.7	174.6	-70.7	177.9	152.4	0	0	111.6	K609 K616 Q617	K609-E613 WeakPolarHBondContact CE-OE1 3.33Å; K609-E613 WeakPolarHBondContact CE-OE2 3.23Å; K609-E613 HydrophobicContact CG-CG 4.31Å; K609-E613 IonicContact NZ-OE1 3.05Å; K609-E613 WeakPolarHBondContact O-CG 3.35Å; K609-E613 PolarHBondContact O-N 3.01Å; E613-K616 WeakPolarHBondContact O-CB 3.43Å; E613-K616 PolarHBondContact O-N 3.2Å; E613-Q617 WeakPolarHBondContact O-CG 3.38Å; E613-Q617 PolarHBondContact O-N 2.71Å
614	G	83.1	Confident	85.8	Confident	14 Å²	14	68.1 Å²	68.1	14%	0.144	32%	0.318	C	S	.	.	H	α-helix	trans	-61.8	-41.2	172.9	0	0	0	0	0	113.3	R610 K611 Q617 I618	R610-G614 PolarHBondContact O-N 3.41Å; K611-G614 PolarHBondContact O-N 3.33Å; G614-Q617 PolarHBondContact O-N 3.22Å; G614-I618 WeakPolarHBondContact O-CG1 3.31Å; G614-I618 PolarHBondContact O-N 3.05Å; G614-I618 VanDerWaalsContact O-N 3.15Å
615	Q	83.8	Confident	85.8	Confident	99 Å²	99	64.2 Å²	64.2	46%	0.463	30%	0.3	S	S	.	.	H	α-helix	trans	-66.5	-39.1	175.3	-74.7	178.5	11.7	0	0	112.3	K611 T612 Q617 I618 F619	K611-Q615 WeakPolarHBondContact O-CB 3.1Å; K611-Q615 WeakPolarHBondContact O-CG 3.3Å; K611-Q615 PolarHBondContact O-N 2.86Å; T612-Q615 PolarHBondContact O-N 2.88Å; Q615-Q617 PolarHBondContact O-N 2.99Å; Q615-I618 PolarHBondContact O-N 3.29Å; Q615-F619 PolarHBondContact O-N 3.5Å
616	K	84.6	Confident	85.8	Confident	106 Å²	106	65.9 Å²	65.9	46%	0.461	31%	0.309	S	S	.	.	H	α-helix	trans	-57.2	-48.1	171.9	-178.2	-172.7	171.1	-172.5	0	110.8	T612 E613 I618 F619 D620	T612-K616 PolarHBondContact O-N 2.95Å; E613-K616 WeakPolarHBondContact O-CB 3.43Å; E613-K616 PolarHBondContact O-N 3.2Å; K616-I618 VanDerWaalsContact C-N 3.32Å; K616-I618 PolarHBondContact O-N 3.2Å; K616-F619 WeakPolarHBondContact O-CB 3.41Å; K616-F619 PolarHBondContact O-N 3.38Å; K616-F619 VanDerWaalsContact O-N 3.08Å; K616-D620 PolarHBondContact O-N 3.09Å
617	Q	86.1	Confident	85.7	Confident	90 Å²	90	64 Å²	64	42%	0.421	31%	0.313	S	S	.	.	H	α-helix	trans	-59.1	-39.6	177.8	-68.5	173.1	27.5	0	0	112.7	E613 G614 Q615 D620 V621 L639	E613-Q617 WeakPolarHBondContact O-CG 3.38Å; E613-Q617 PolarHBondContact O-N 2.71Å; G614-Q617 PolarHBondContact O-N 3.22Å; Q615-Q617 PolarHBondContact O-N 2.99Å; Q617-D620 PolarHBondContact O-N 2.96Å; Q617-V621 WeakPolarHBondContact O-CG2 3.31Å; Q617-V621 PolarHBondContact O-N 2.88Å; Q617-L639 HydrophobicContact CB-CB 4.39Å; Q617-L639 HydrophobicContact CB-CD2 4.12Å
618	I	88.9	Confident	85.8	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-65.3	-41.8	175.3	-58.5	160.9	0	0	0	110.7	G614 Q615 K616 D620 V621 V622 L632 L633 R637 F664	G614-I618 WeakPolarHBondContact O-CG1 3.31Å; G614-I618 PolarHBondContact O-N 3.05Å; G614-I618 VanDerWaalsContact O-N 3.15Å; Q615-I618 PolarHBondContact O-N 3.29Å; K616-I618 VanDerWaalsContact C-N 3.32Å; K616-I618 PolarHBondContact O-N 3.2Å; I618-D620 VanDerWaalsContact C-N 3.34Å; I618-V621 PolarHBondContact O-N 3.5Å; I618-V622 WeakPolarHBondContact O-CG2 3.33Å; I618-V622 PolarHBondContact O-N 2.9Å; I618-L632 HydrophobicContact CG2-CD2 4.41Å; I618-L632 HydrophobicContact CG2-CG 3.99Å; I618-L633 HydrophobicContact CG2-CD2 3.98Å; I618-R637 HydrophobicContact CD1-CB 4.19Å; I618-R637 HydrophobicContact CD1-CG 4.34Å; I618-R637 VanDerWaalsContact CD1-O 3.23Å; I618-R637 WeakPolarHBondContact CD1-O 3.49Å; I618-F664 HydrophobicContact CG1-CD1 4.31Å; I618-F664 HydrophobicContact CG1-CE1 3.9Å; I618-F664 HydrophobicContact CG2-CE1 4.4Å
619	F	86.6	Confident	85.8	Confident	115 Å²	115	61.2 Å²	61.2	50%	0.504	30%	0.303	S	S	.	.	H	α-helix	trans	-62.7	-40.7	175.7	-173	-89.8	0	0	0	112	Q615 K616 V621 V622 Y623 L633	Q615-F619 PolarHBondContact O-N 3.5Å; K616-F619 WeakPolarHBondContact O-CB 3.41Å; K616-F619 PolarHBondContact O-N 3.38Å; K616-F619 VanDerWaalsContact O-N 3.08Å; F619-V621 VanDerWaalsContact C-N 3.34Å; F619-V621 PolarHBondContact O-N 3.04Å; F619-V622 CarbonylContact O-C 3.52Å; F619-V622 PolarHBondContact O-N 3.32Å; F619-Y623 HydrophobicContact CE1-CD2 4.14Å; F619-Y623 WeakPolarHBondContact O-CB 3.5Å; F619-Y623 PolarHBondContact O-N 2.94Å; F619-L633 HydrophobicContact CB-CD2 4.49Å; F619-L633 HydrophobicContact CD2-CD2 4.45Å
620	D	87	Confident	85.7	Confident	68 Å²	68	62.2 Å²	62.2	36%	0.364	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-39.2	175.9	-67.3	-28.5	0	0	0	111.2	K616 Q617 I618 Y623 E624	K616-D620 PolarHBondContact O-N 3.09Å; Q617-D620 PolarHBondContact O-N 2.96Å; I618-D620 VanDerWaalsContact C-N 3.34Å; D620-Y623 CarbonylContact O-C 3.59Å; D620-Y623 WeakPolarHBondContact O-CA 3.05Å; D620-Y623 WeakPolarHBondContact O-CB 3.25Å; D620-Y623 PolarHBondContact O-N 3.47Å; D620-Y623 VanDerWaalsContact O-N 3.14Å; D620-E624 PolarHBondContact O-N 2.75Å
621	V	88.6	Confident	85.7	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.024	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-46.2	171.7	176.2	0	0	0	0	111.8	Q617 I618 F619 Y623 E624 V625 L632 L639 F662 F664	Q617-V621 WeakPolarHBondContact O-CG2 3.31Å; Q617-V621 PolarHBondContact O-N 2.88Å; I618-V621 PolarHBondContact O-N 3.5Å; F619-V621 VanDerWaalsContact C-N 3.34Å; F619-V621 PolarHBondContact O-N 3.04Å; V621-Y623 PolarHBondContact O-N 2.99Å; V621-E624 PolarHBondContact O-N 3.04Å; V621-V625 HydrophobicContact CG1-CG2 4.14Å; V621-V625 WeakPolarHBondContact O-CB 3.4Å; V621-V625 WeakPolarHBondContact O-CG2 3.35Å; V621-V625 PolarHBondContact O-N 3.22Å; V621-L632 HydrophobicContact CG1-CD2 4.15Å; V621-L639 HydrophobicContact CG2-CD2 4.32Å; V621-F662 HydrophobicContact CB-CD1 4.46Å; V621-F662 HydrophobicContact CB-CE1 4.47Å; V621-F662 HydrophobicContact CG1-CD1 4.02Å; V621-F662 HydrophobicContact CG1-CD2 3.99Å; V621-F662 HydrophobicContact CG1-CE1 4.13Å; V621-F662 HydrophobicContact CG1-CE2 4.1Å; V621-F662 HydrophobicContact CG1-CG 3.94Å; V621-F662 HydrophobicContact CG1-CZ 4.16Å; V621-F662 HydrophobicContact CG2-CD1 3.52Å; V621-F662 HydrophobicContact CG2-CE1 3.61Å; V621-F662 HydrophobicContact CG2-CG 4.22Å; V621-F662 HydrophobicContact CG2-CZ 4.36Å; V621-F664 HydrophobicContact CG1-CZ 4.26Å; V621-F664 HydrophobicContact CG2-CZ 4.46Å
622	V	88.3	Confident	85.8	Confident	35 Å²	35	55.3 Å²	55.3	21%	0.212	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-26.9	174.5	175.6	0	0	0	0	111.5	I618 F619 L632 L633	I618-V622 WeakPolarHBondContact O-CG2 3.33Å; I618-V622 PolarHBondContact O-N 2.9Å; F619-V622 CarbonylContact O-C 3.52Å; F619-V622 PolarHBondContact O-N 3.32Å; V622-L632 HydrophobicContact CG2-CB 4.24Å; V622-L632 HydrophobicContact CG2-CD2 3.87Å; V622-L632 HydrophobicContact CG2-CG 4.38Å; V622-L633 HydrophobicContact CG2-CD2 4.19Å; V622-L633 HydrophobicContact CG2-CG 4.13Å
623	Y	85.8	Confident	85.7	Confident	104 Å²	104	58.1 Å²	58.1	41%	0.408	32%	0.315	S	S	.	.	H	α-helix	trans	-78.6	-34.3	175.9	-162.1	-80.1	0	0	0	112.9	F619 D620 V621 R689	F619-Y623 HydrophobicContact CE1-CD2 4.14Å; F619-Y623 WeakPolarHBondContact O-CB 3.5Å; F619-Y623 PolarHBondContact O-N 2.94Å; D620-Y623 CarbonylContact O-C 3.59Å; D620-Y623 WeakPolarHBondContact O-CA 3.05Å; D620-Y623 WeakPolarHBondContact O-CB 3.25Å; D620-Y623 PolarHBondContact O-N 3.47Å; D620-Y623 VanDerWaalsContact O-N 3.14Å; V621-Y623 PolarHBondContact O-N 2.99Å; Y623-R689 VanDerWaalsContact CE2-CZ 3.43Å; Y623-R689 VanDerWaalsContact CZ-NE 3.25Å; Y623-R689 PolarHBondContact O-NH2 3.08Å; Y623-R689 WeakPolarHBondContact OH-CD 3.38Å
624	E	88.7	Confident	85.6	Confident	51 Å²	51	55.9 Å²	55.9	24%	0.238	31%	0.309	C	S	.	.	H	α-helix	trans	-77.8	-28.4	177.1	-79.3	-168.4	-135	0	0	114.3	D620 V621 R642 P692 P693 L694	D620-E624 PolarHBondContact O-N 2.75Å; V621-E624 PolarHBondContact O-N 3.04Å; E624-R642 VanDerWaalsContact CD-NH1 3.31Å; E624-R642 IonicContact OE1-CZ 2.68Å; E624-R642 IonicContact OE1-NH1 3.15Å; E624-R642 PolarHBondContact OE1-NH1 3.41Å; E624-R642 IonicContact OE1-NH2 3.17Å; E624-R642 IonicContact OE2-CZ 3.5Å; E624-R642 IonicContact OE2-NH1 3.4Å; E624-R642 PolarHBondContact OE2-NH1 2.8Å; E624-R642 VanDerWaalsContact OE2-NH1 3.15Å; E624-R642 IonicContact OE2-NH2 3.22Å; E624-R642 PolarHBondContact OE2-NH2 3.23Å; E624-P692 VanDerWaalsContact O-CB 3.24Å; E624-P692 WeakPolarHBondContact O-CB 3.31Å; E624-P693 HydrophobicContact CB-CG 4.36Å; E624-P693 HydrophobicContact CG-CG 4.35Å; E624-P693 VanDerWaalsContact O-CD 3.29Å; E624-P693 WeakPolarHBondContact O-CD 3.3Å; E624-L694 PolarHBondContact O-N 3.31Å; E624-L694 VanDerWaalsContact O-N 3.1Å
625	V	89.4	Confident	85	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.024	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	108.4	-169	179.6	0	0	0	0	112.6	V621 G627 C628 F662 A671 L694 H696	V621-V625 HydrophobicContact CG1-CG2 4.14Å; V621-V625 WeakPolarHBondContact O-CB 3.4Å; V621-V625 WeakPolarHBondContact O-CG2 3.35Å; V621-V625 PolarHBondContact O-N 3.22Å; V625-G627 PolarHBondContact O-N 2.93Å; V625-G627 VanDerWaalsContact O-N 3.16Å; V625-C628 HydrophobicContact CB-CB 3.88Å; V625-C628 HydrophobicContact CG1-CB 3.85Å; V625-C628 WeakPolarHBondContact O-CB 3.46Å; V625-C628 PolarHBondContact O-N 3.24Å; V625-C628 VanDerWaalsContact O-N 3.15Å; V625-F662 HydrophobicContact CG2-CE2 3.95Å; V625-F662 HydrophobicContact CG2-CZ 4.42Å; V625-A671 HydrophobicContact CG1-CB 3.82Å; V625-A671 HydrophobicContact CG2-CB 3.86Å; V625-L694 HydrophobicContact CG2-CB 3.95Å; V625-L694 HydrophobicContact CG2-CD1 4.02Å; V625-H696 HydrophobicContact CG1-CB 3.86Å; V625-H696 VanDerWaalsContact CG1-N 3.34Å
626	D	87.7	Confident	84.7	Confident	50 Å²	50	62 Å²	62	27%	0.267	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	113.2	174	-176.9	45.8	0	0	0	111.5	R674 P692 L694 K695 H696	D626-R674 IonicContact OD1-NH2 3.25Å; D626-R674 IonicContact OD2-CZ 2.67Å; D626-R674 VanDerWaalsContact OD2-CZ 3.22Å; D626-R674 IonicContact OD2-NE 2.88Å; D626-R674 PolarHBondContact OD2-NE 3.08Å; D626-R674 VanDerWaalsContact OD2-NE 3.17Å; D626-R674 IonicContact OD2-NH2 3.19Å; D626-R674 PolarHBondContact OD2-NH2 3.47Å; D626-P692 HydrophobicContact CB-CB 4.2Å; D626-P692 HydrophobicContact CB-CG 3.75Å; D626-L694 WeakPolarHBondContact CB-O 3.35Å; D626-L694 PolarHBondContact N-O 3.46Å; D626-K695 HydrophobicContact CB-CB 4.07Å; D626-K695 HydrophobicContact CB-CG 4.01Å; D626-K695 WeakPolarHBondContact O-CG 3.25Å; D626-H696 WeakPolarHBondContact O-CB 3.27Å; D626-H696 PolarHBondContact O-N 2.88Å
627	G	85.5	Confident	84.7	Confident	58 Å²	58	58.4 Å²	58.4	60%	0.598	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	19.7	-179.7	0	0	0	0	0	115.4	V625	V625-G627 PolarHBondContact O-N 2.93Å; V625-G627 VanDerWaalsContact O-N 3.16Å
628	C	86.8	Confident	84.8	Confident	19 Å²	19	56.4 Å²	56.4	13%	0.128	32%	0.322	C	S	.	.			trans	-58.1	133.5	176.5	-160.5	0	0	0	0	112	V625 A630 L632 E669	V625-C628 HydrophobicContact CB-CB 3.88Å; V625-C628 HydrophobicContact CG1-CB 3.85Å; V625-C628 WeakPolarHBondContact O-CB 3.46Å; V625-C628 PolarHBondContact O-N 3.24Å; V625-C628 VanDerWaalsContact O-N 3.15Å; C628-A630 PolarHBondContact O-N 3.44Å; C628-L632 VanDerWaalsContact SG-CD2 3.55Å; C628-E669 PolarHBondContact SG-OE1 3.34Å; C628-E669 VanDerWaalsContact SG-OE1 3.34Å
629	P	86.4	Confident	84.9	Confident	32 Å²	32	57.8 Å²	57.8	21%	0.208	33%	0.329	C	S	.	.			trans	-62.6	130.4	-180	-26.5	36.1	0	0	0	113.4	N631 L632 H696 L699	P629-N631 WeakPolarHBondContact CB-OD1 3.36Å; P629-N631 PolarHBondContact O-N 3.15Å; P629-N631 VanDerWaalsContact O-N 3.13Å; P629-L632 VanDerWaalsContact O-CB 3.25Å; P629-L632 WeakPolarHBondContact O-CB 3.39Å; P629-L632 PolarHBondContact O-N 3.45Å; P629-H696 WeakPolarHBondContact CD-CE1 3.39Å; P629-H696 WeakPolarHBondContact CD-ND1 3.27Å; P629-L699 HydrophobicContact CB-CD2 3.95Å; P629-L699 HydrophobicContact CG-CB 4.07Å; P629-L699 HydrophobicContact CG-CD2 4.08Å
630	A	81.1	Confident	85	Confident	80 Å²	80	54 Å²	54	66%	0.661	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-62.3	-23.3	-177.6	0	0	0	0	0	114	C628 L632 L633	C628-A630 PolarHBondContact O-N 3.44Å; A630-L632 PolarHBondContact O-N 3.16Å; A630-L633 PolarHBondContact O-N 2.67Å
631	N	82.5	Confident	85.1	Confident	111 Å²	111	54.1 Å²	54.1	59%	0.594	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-72.5	1.3	172.6	68.4	-44.1	0	0	0	113.6	P629 L633 R637	P629-N631 WeakPolarHBondContact CB-OD1 3.36Å; P629-N631 PolarHBondContact O-N 3.15Å; P629-N631 VanDerWaalsContact O-N 3.13Å; N631-L633 VanDerWaalsContact C-N 3.28Å; N631-R637 PolarHBondContact O-NH1 3.19Å
632	L	85.6	Confident	85.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-65.5	-34.2	165.7	-171.6	62.7	0	0	0	111.2	I618 V621 V622 C628 P629 A630 S634 R637 F664 L699	I618-L632 HydrophobicContact CG2-CD2 4.41Å; I618-L632 HydrophobicContact CG2-CG 3.99Å; V621-L632 HydrophobicContact CG1-CD2 4.15Å; V622-L632 HydrophobicContact CG2-CB 4.24Å; V622-L632 HydrophobicContact CG2-CD2 3.87Å; V622-L632 HydrophobicContact CG2-CG 4.38Å; C628-L632 VanDerWaalsContact SG-CD2 3.55Å; P629-L632 VanDerWaalsContact O-CB 3.25Å; P629-L632 WeakPolarHBondContact O-CB 3.39Å; P629-L632 PolarHBondContact O-N 3.45Å; A630-L632 PolarHBondContact O-N 3.16Å; L632-S634 PolarHBondContact O-N 2.67Å; L632-R637 VanDerWaalsContact C-NH1 3.34Å; L632-R637 VanDerWaalsContact CA-NH1 3.31Å; L632-R637 PolarHBondContact O-NH1 2.84Å; L632-F664 HydrophobicContact CD1-CD2 3.98Å; L632-F664 HydrophobicContact CD1-CE1 4.33Å; L632-F664 HydrophobicContact CD1-CE2 3.68Å; L632-F664 HydrophobicContact CD1-CG 4.43Å; L632-F664 HydrophobicContact CD1-CZ 3.88Å; L632-F664 HydrophobicContact CD2-CE2 4.2Å; L632-F664 HydrophobicContact CD2-CZ 3.9Å; L632-F664 HydrophobicContact CG-CZ 4.3Å; L632-L699 HydrophobicContact CB-CD2 4.49Å; L632-L699 HydrophobicContact CD1-CD1 3.91Å; L632-L699 HydrophobicContact CD1-CD2 4.47Å
633	L	81.8	Confident	85.5	Confident	90 Å²	90	57.7 Å²	57.7	47%	0.471	32%	0.324	S	S	.	.			trans	-75.1	68.2	177.8	-64.1	167.3	0	0	0	111.8	I618 F619 V622 A630 N631	I618-L633 HydrophobicContact CG2-CD2 3.98Å; F619-L633 HydrophobicContact CB-CD2 4.49Å; F619-L633 HydrophobicContact CD2-CD2 4.45Å; V622-L633 HydrophobicContact CG2-CD2 4.19Å; V622-L633 HydrophobicContact CG2-CG 4.13Å; A630-L633 PolarHBondContact O-N 2.67Å; N631-L633 VanDerWaalsContact C-N 3.28Å
634	S	80.4	Confident	85.7	Confident	39 Å²	39	55.8 Å²	55.8	27%	0.273	32%	0.319	S	S	.	.			trans	-100.6	136.6	174.6	175.2	0	0	0	0	111	L632 H636 R637	L632-S634 PolarHBondContact O-N 2.67Å; S634-H636 PolarHBondContact O-N 2.84Å; S634-H636 VanDerWaalsContact O-N 3.14Å; S634-H636 PolarHBondContact OG-N 2.95Å; S634-R637 PolarHBondContact O-N 3.16Å; S634-R637 VanDerWaalsContact O-N 3.11Å
635	S	70.4	Confident	85.8	Confident	85 Å²	85	53.4 Å²	53.4	59%	0.594	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-20	178.1	49.1	0	0	0	0	114.6
636	H	76.9	Confident	85.9	Confident	158 Å²	158	54.1 Å²	54.1	73%	0.731	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-2	-179.3	-57.9	-78.2	0	0	0	113.3	S634 N665	S634-H636 PolarHBondContact O-N 2.84Å; S634-H636 VanDerWaalsContact O-N 3.14Å; S634-H636 PolarHBondContact OG-N 2.95Å; H636-N665 PolarHBondContact O-ND2 3.29Å
637	R	85.4	Confident	85.9	Confident	30 Å²	30	51.8 Å²	51.8	11%	0.113	30%	0.299	C	S	.	.			trans	-89.2	147.7	-179.3	-170	164.8	-68.6	126.2	-3.3	110.7	I618 N631 L632 S634 F664 N665 D666 C667	I618-R637 HydrophobicContact CD1-CB 4.19Å; I618-R637 HydrophobicContact CD1-CG 4.34Å; I618-R637 VanDerWaalsContact CD1-O 3.23Å; I618-R637 WeakPolarHBondContact CD1-O 3.49Å; N631-R637 PolarHBondContact O-NH1 3.19Å; L632-R637 VanDerWaalsContact C-NH1 3.34Å; L632-R637 VanDerWaalsContact CA-NH1 3.31Å; L632-R637 PolarHBondContact O-NH1 2.84Å; S634-R637 PolarHBondContact O-N 3.16Å; S634-R637 VanDerWaalsContact O-N 3.11Å; R637-F664 HydrophobicContact CG-CB 3.71Å; R637-F664 HydrophobicContact CG-CD1 3.72Å; R637-F664 HydrophobicContact CG-CG 3.92Å; R637-N665 VanDerWaalsContact CA-OD1 3.27Å; R637-N665 WeakPolarHBondContact CA-OD1 3.28Å; R637-D666 IonicContact CZ-OD1 2.67Å; R637-D666 IonicContact CZ-OD2 3.75Å; R637-D666 IonicContact NE-OD1 3.85Å; R637-D666 PolarHBondContact NE-OD1 2.82Å; R637-D666 IonicContact NE-OD2 2.67Å; R637-D666 IonicContact NH2-OD1 2.67Å; R637-D666 PolarHBondContact NH2-OD1 3.06Å; R637-D666 IonicContact NH2-OD2 3.64Å; R637-D666 PolarHBondContact NH2-OD2 2.9Å; R637-C667 PolarHBondContact NE-SG 3.23Å
638	S	86.8	Confident	85.9	Confident	48 Å²	48	49.2 Å²	49.2	34%	0.336	27%	0.272	S	S	.	.			trans	-139.7	137.2	171	61.5	0	0	0	0	109.9	V640 F664 N665	S638-V640 PolarHBondContact O-N 2.74Å; S638-F664 VanDerWaalsContact O-CA 3.26Å; S638-F664 WeakPolarHBondContact O-CA 3.16Å; S638-F664 WeakPolarHBondContact O-CB 3.35Å; S638-N665 PolarHBondContact N-OD1 2.9Å; S638-N665 PolarHBondContact O-N 2.95Å
639	L	91	Very high	85.6	Confident	32 Å²	32	49.2 Å²	49.2	17%	0.168	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	130.1	168.8	-175.6	66.6	0	0	0	108.5	Q617 V621 F662 F664	Q617-L639 HydrophobicContact CB-CB 4.39Å; Q617-L639 HydrophobicContact CB-CD2 4.12Å; V621-L639 HydrophobicContact CG2-CD2 4.32Å; L639-F662 HydrophobicContact CD1-CB 3.96Å; L639-F662 HydrophobicContact CD1-CD1 4.28Å; L639-F664 HydrophobicContact CB-CD1 4.06Å; L639-F664 HydrophobicContact CB-CE1 3.85Å; L639-F664 HydrophobicContact CD1-CD1 4.03Å; L639-F664 HydrophobicContact CD1-CE1 3.58Å; L639-F664 HydrophobicContact CD1-CE2 4.34Å; L639-F664 HydrophobicContact CD1-CZ 3.76Å; L639-F664 HydrophobicContact CG-CE1 4.3Å
640	V	90.1	Very high	85.1	Confident	36 Å²	36	52 Å²	52	22%	0.218	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-54.8	177	177.8	0	0	0	0	109	S638 L663 N665 T753 H757	S638-V640 PolarHBondContact O-N 2.74Å; V640-L663 WeakPolarHBondContact CA-O 3.4Å; V640-L663 HydrophobicContact CB-CD2 4.29Å; V640-L663 HydrophobicContact CB-CG 4.14Å; V640-L663 WeakPolarHBondContact CB-O 3.42Å; V640-L663 HydrophobicContact CG1-CD2 4.1Å; V640-L663 HydrophobicContact CG1-CG 4.49Å; V640-L663 PolarHBondContact N-O 3.45Å; V640-N665 HydrophobicContact CG2-CB 4.44Å; V640-T753 HydrophobicContact CG1-CG2 3.91Å; V640-H757 VanDerWaalsContact CG1-CE1 3.47Å; V640-H757 WeakPolarHBondContact CG1-CE1 3.26Å
641	H	89.1	Confident	84.9	Confident	70 Å²	70	52.5 Å²	52.5	32%	0.324	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	150.8	-179	-82.4	-28.6	0	0	0	112.1	L663 W750	H641-L663 PolarHBondContact N-O 3.16Å; H641-L663 PolarHBondContact O-N 2.88Å; H641-W750 HydrophobicContact CB-CE3 4.39Å; H641-W750 HydrophobicContact CB-CZ3 3.88Å
642	R	91.6	Very high	84.6	Confident	104 Å²	104	48.6 Å²	48.6	39%	0.392	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.6	168.6	173.1	-173.5	-175.8	139.2	7.1	107.7	E624 T660 L661 F662	E624-R642 VanDerWaalsContact CD-NH1 3.31Å; E624-R642 IonicContact OE1-CZ 2.68Å; E624-R642 IonicContact OE1-NH1 3.15Å; E624-R642 PolarHBondContact OE1-NH1 3.41Å; E624-R642 IonicContact OE1-NH2 3.17Å; E624-R642 IonicContact OE2-CZ 3.5Å; E624-R642 IonicContact OE2-NH1 3.4Å; E624-R642 PolarHBondContact OE2-NH1 2.8Å; E624-R642 VanDerWaalsContact OE2-NH1 3.15Å; E624-R642 IonicContact OE2-NH2 3.22Å; E624-R642 PolarHBondContact OE2-NH2 3.23Å; R642-T660 HydrophobicContact CG-CG2 3.9Å; R642-L661 WeakPolarHBondContact CA-O 3.38Å; R642-F662 HydrophobicContact CB-CD1 4.05Å; R642-F662 HydrophobicContact CB-CE1 4.26Å; R642-F662 HydrophobicContact CG-CD1 3.91Å; R642-F662 HydrophobicContact CG-CE1 3.66Å; R642-F662 HydrophobicContact CG-CZ 4.49Å
643	V	91.8	Very high	84.5	Confident	11 Å²	11	49.1 Å²	49.1	7%	0.067	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	130.8	-179.4	-179.7	0	0	0	0	110	T645 T660 L661 L740 M745 W750	V643-T645 HydrophobicContact CG1-CG2 3.86Å; V643-T660 WeakPolarHBondContact O-CA 2.95Å; V643-L661 PolarHBondContact N-O 2.98Å; V643-L661 PolarHBondContact O-N 2.62Å; V643-L740 HydrophobicContact CG1-CD2 3.45Å; V643-L740 VanDerWaalsContact CG1-CD2 3.45Å; V643-M745 HydrophobicContact CG2-CE 4.14Å; V643-M745 HydrophobicContact CG2-SD 3.65Å; V643-W750 HydrophobicContact CB-CH2 4.33Å; V643-W750 HydrophobicContact CB-CZ2 4.5Å; V643-W750 HydrophobicContact CB-CZ3 4.43Å; V643-W750 HydrophobicContact CG2-CD2 3.95Å; V643-W750 HydrophobicContact CG2-CE3 3.52Å; V643-W750 HydrophobicContact CG2-CH2 3.82Å; V643-W750 HydrophobicContact CG2-CZ2 4.24Å; V643-W750 HydrophobicContact CG2-CZ3 3.45Å; V643-W750 VanDerWaalsContact CG2-CZ3 3.45Å
644	E	91.3	Very high	84.5	Confident	64 Å²	64	45.9 Å²	45.9	30%	0.299	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	131.9	168.1	-65.8	-145.5	163.1	0	0	110.2	K673 V741	E644-K673 IonicContact OE1-NZ 3.22Å; E644-K673 PolarHBondContact OE1-NZ 2.74Å; E644-K673 IonicContact OE2-NZ 3.97Å; E644-K673 PolarHBondContact OE2-NZ 3.11Å; E644-V741 HydrophobicContact CB-CB 4.48Å; E644-V741 PolarHBondContact O-N 3.24Å
645	T	91.1	Very high	84.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	171.1	-179	63.4	0	0	0	0	111.8	V643 V659 L661 F721 F738 Q739 L740	V643-T645 HydrophobicContact CG1-CG2 3.86Å; T645-V659 PolarHBondContact N-O 3.23Å; T645-V659 PolarHBondContact O-N 3.15Å; T645-V659 WeakPolarHBondContact OG1-CB 3.44Å; T645-L661 HydrophobicContact CG2-CD1 3.81Å; T645-L661 HydrophobicContact CG2-CG 4.22Å; T645-F721 HydrophobicContact CG2-CE1 4.26Å; T645-F721 HydrophobicContact CG2-CZ 4.4Å; T645-F738 HydrophobicContact CG2-CB 4.47Å; T645-Q739 CarbonylContact C-O 3.56Å; T645-Q739 WeakPolarHBondContact CA-O 3.12Å; T645-Q739 VanDerWaalsContact CB-O 3.23Å; T645-Q739 WeakPolarHBondContact CB-O 3.48Å; T645-L740 HydrophobicContact CG2-CD2 4.17Å
646	I	89.8	Confident	85.2	Confident	20 Å²	20	43.6 Å²	43.6	10%	0.103	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.5	169.7	-76.1	167.1	0	0	0	107.5	L648 F738 Q739 V741 M786	I646-L648 HydrophobicContact CG2-CD2 4.33Å; I646-F738 CarbonylContact O-C 3.59Å; I646-F738 VanDerWaalsContact O-CA 3.28Å; I646-F738 WeakPolarHBondContact O-CA 2.99Å; I646-Q739 HydrophobicContact CB-CB 4.36Å; I646-Q739 PolarHBondContact N-O 3.25Å; I646-Q739 PolarHBondContact O-N 3Å; I646-V741 HydrophobicContact CB-CG2 4.47Å; I646-V741 HydrophobicContact CD1-CG2 3.65Å; I646-V741 HydrophobicContact CG1-CG2 3.73Å; I646-M786 HydrophobicContact CD1-CE 4.26Å; I646-M786 HydrophobicContact CG2-CE 3.51Å; I646-M786 HydrophobicContact CG2-SD 3.42Å; I646-M786 WeakPolarHBondContact CG2-SD 3.25Å
647	A	89.3	Confident	85.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.8	174.5	0	0	0	0	0	110.7	C653 G656 E657 V659	A647-C653 VanDerWaalsContact CB-SG 3.53Å; A647-G656 VanDerWaalsContact O-CA 3.29Å; A647-G656 WeakPolarHBondContact O-CA 3.34Å; A647-G656 PolarHBondContact O-N 2.87Å; A647-E657 PolarHBondContact N-O 3.29Å; A647-V659 HydrophobicContact CB-CG2 4.19Å
648	L	84.8	Confident	85.8	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.026	20%	0.201	C	C	.	.			trans	-101.9	-22.9	-179.2	-59.9	176.9	0	0	0	113.4	I646 R655 A720 S737 Q739 V781 T783 M786	I646-L648 HydrophobicContact CG2-CD2 4.33Å; L648-R655 VanDerWaalsContact O-CD 3.24Å; L648-R655 WeakPolarHBondContact O-CD 3.42Å; L648-R655 VanDerWaalsContact O-CG 3.31Å; L648-R655 WeakPolarHBondContact O-CG 3.4Å; L648-R655 PolarHBondContact O-NE 2.95Å; L648-A720 HydrophobicContact CD1-CB 3.99Å; L648-S737 PolarHBondContact N-O 2.96Å; L648-Q739 HydrophobicContact CD1-CB 4.08Å; L648-Q739 HydrophobicContact CD2-CB 4.1Å; L648-Q739 HydrophobicContact CG-CB 4.21Å; L648-V781 HydrophobicContact CB-CG1 3.67Å; L648-V781 HydrophobicContact CD1-CG1 3.54Å; L648-V781 HydrophobicContact CG-CG1 4.25Å; L648-T783 HydrophobicContact CD2-CG2 4.23Å; L648-M786 HydrophobicContact CD2-SD 4.19Å
649	G	80.9	Confident	86.1	Confident	18 Å²	18	37.3 Å²	37.3	19%	0.186	19%	0.185	C	C	.	.	S	Bend	trans	-88.4	-179.1	173.1	0	0	0	0	0	113.5	E651 R655	G649-E651 VanDerWaalsContact C-N 3.26Å; G649-R655 WeakPolarHBondContact O-CA 3.34Å; G649-R655 WeakPolarHBondContact O-CB 3.45Å; G649-R655 PolarHBondContact O-N 2.86Å
650	D	74.7	Confident	86.2	Confident	90 Å²	90	35.8 Å²	35.8	48%	0.481	18%	0.177	S	C	.	.	S	Bend	trans	-81.9	-6.9	168	-113	-4.5	0	0	0	112.4	C653 K798	D650-C653 CarbonylContact C-O 3.47Å; D650-C653 VanDerWaalsContact C-O 3.28Å; D650-C653 CarbonylContact O-C 3.28Å; D650-K798 IonicContact OD1-NZ 3.58Å; D650-K798 PolarHBondContact OD1-NZ 2.93Å; D650-K798 IonicContact OD2-NZ 3.71Å; D650-K798 PolarHBondContact OD2-NZ 2.84Å
651	E	77.9	Confident	86.4	Confident	91 Å²	91	34 Å²	34	43%	0.425	17%	0.167	S	C	.	.	S	Bend	trans	-130.9	149.4	176.7	-67.2	-172.3	169.7	0	0	110.7	G649 C653 F736	G649-E651 VanDerWaalsContact C-N 3.26Å; E651-C653 VanDerWaalsContact C-N 3.26Å; E651-F736 HydrophobicContact CB-CD1 4.24Å; E651-F736 HydrophobicContact CB-CE1 4.15Å
652	P	75.4	Confident	86.6	Confident	29 Å²	29	30.7 Å²	30.7	19%	0.188	15%	0.151	C	C	.	.	S	Bend	cis	-80	3.5	0.7	34.5	-36.2	0	0	0	113.8	I670 I697 F736 F738	P652-I670 HydrophobicContact CG-CD1 4.23Å; P652-I670 HydrophobicContact CG-CG2 4.11Å; P652-I697 HydrophobicContact CB-CG2 4.1Å; P652-I697 WeakPolarHBondContact O-CG2 3.44Å; P652-F736 HydrophobicContact CB-CD1 4.23Å; P652-F736 HydrophobicContact CB-CD2 4.49Å; P652-F736 HydrophobicContact CB-CE1 4.05Å; P652-F736 HydrophobicContact CB-CE2 4.32Å; P652-F736 HydrophobicContact CB-CG 4.47Å; P652-F736 HydrophobicContact CB-CZ 4.11Å; P652-F736 HydrophobicContact CG-CD1 4.37Å; P652-F736 HydrophobicContact CG-CD2 4.34Å; P652-F736 HydrophobicContact CG-CG 4.23Å; P652-F738 HydrophobicContact CG-CZ 4.16Å
653	C	83.7	Confident	86.7	Confident	11 Å²	11	25.8 Å²	25.8	7%	0.074	13%	0.132	C	C	.	.	S	Bend	trans	-147.6	167.1	173.2	58.8	0	0	0	0	111.4	A647 D650 E651 R655 V659 I697	A647-C653 VanDerWaalsContact CB-SG 3.53Å; D650-C653 CarbonylContact C-O 3.47Å; D650-C653 VanDerWaalsContact C-O 3.28Å; D650-C653 CarbonylContact O-C 3.28Å; E651-C653 VanDerWaalsContact C-N 3.26Å; C653-R655 PolarHBondContact O-N 3.06Å; C653-V659 VanDerWaalsContact SG-CG2 3.53Å; C653-I697 HydrophobicContact CB-CD1 3.84Å
654	D	82.8	Confident	86.8	Confident	22 Å²	22	25.2 Å²	25.2	12%	0.118	13%	0.129	C	C	.	.	S	Bend	trans	-55.6	134.8	-175	-55.9	-59.1	0	0	0	111.7	G656 E657 K799 K802	D654-G656 PolarHBondContact O-N 2.83Å; D654-E657 WeakPolarHBondContact O-CG 3.35Å; D654-E657 PolarHBondContact O-N 3.19Å; D654-E657 VanDerWaalsContact O-N 3.16Å; D654-K799 WeakPolarHBondContact OD2-CE 3.38Å; D654-K799 IonicContact OD2-NZ 2.75Å; D654-K802 IonicContact OD1-NZ 2.82Å; D654-K802 PolarHBondContact OD1-NZ 2.84Å
655	R	83.6	Confident	86.8	Confident	70 Å²	70	24.6 Å²	24.6	26%	0.264	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	124.8	-175.1	-177.6	167.8	176.3	-132.6	-0.8	113.6	L648 G649 C653 T782 D785 R795	L648-R655 VanDerWaalsContact O-CD 3.24Å; L648-R655 WeakPolarHBondContact O-CD 3.42Å; L648-R655 VanDerWaalsContact O-CG 3.31Å; L648-R655 WeakPolarHBondContact O-CG 3.4Å; L648-R655 PolarHBondContact O-NE 2.95Å; G649-R655 WeakPolarHBondContact O-CA 3.34Å; G649-R655 WeakPolarHBondContact O-CB 3.45Å; G649-R655 PolarHBondContact O-N 2.86Å; C653-R655 PolarHBondContact O-N 3.06Å; R655-T782 PolarHBondContact NH2-O 3.36Å; R655-T782 PolarHBondContact NH2-OG1 3.18Å; R655-D785 IonicContact CZ-OD2 2.86Å; R655-D785 VanDerWaalsContact CZ-OD2 3.25Å; R655-D785 IonicContact NH1-OD2 3.3Å; R655-D785 PolarHBondContact NH1-OD2 3.48Å; R655-D785 IonicContact NH2-OD2 2.7Å; R655-D785 PolarHBondContact NH2-OD2 3.04Å; R655-R795 PolarHBondContact O-NE 3.42Å; R655-R795 VanDerWaalsContact O-NE 3.11Å; R655-R795 PolarHBondContact O-NH1 2.86Å
656	G	80.9	Confident	86.7	Confident	7 Å²	7	27.2 Å²	27.2	7%	0.072	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	22.5	178.3	0	0	0	0	0	115.4	A647 D654 R795	A647-G656 VanDerWaalsContact O-CA 3.29Å; A647-G656 WeakPolarHBondContact O-CA 3.34Å; A647-G656 PolarHBondContact O-N 2.87Å; D654-G656 PolarHBondContact O-N 2.83Å; G656-R795 PolarHBondContact O-NH1 2.67Å
657	E	86.1	Confident	86.8	Confident	12 Å²	12	26.4 Å²	26.4	6%	0.056	14%	0.138	C	C	.	.			trans	-76.4	145	160.8	-72.9	-165	152.6	0	0	111.4	A647 D654 R672 H675 K799	A647-E657 PolarHBondContact N-O 3.29Å; D654-E657 WeakPolarHBondContact O-CG 3.35Å; D654-E657 PolarHBondContact O-N 3.19Å; D654-E657 VanDerWaalsContact O-N 3.16Å; E657-R672 IonicContact OE1-NH1 2.78Å; E657-R672 PolarHBondContact OE1-NH1 3.43Å; E657-R672 WeakPolarHBondContact OE2-CD 3.37Å; E657-R672 IonicContact OE2-CZ 3.54Å; E657-R672 IonicContact OE2-NE 3.96Å; E657-R672 IonicContact OE2-NH1 3.42Å; E657-R672 PolarHBondContact OE2-NH1 2.88Å; E657-H675 IonicContact OE1-CE1 2.74Å; E657-K799 IonicContact OE1-NZ 3.82Å; E657-K799 PolarHBondContact OE1-NZ 3.05Å
658	H	89.9	Confident	87	Confident	90 Å²	90	26.4 Å²	26.4	42%	0.417	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	127.5	171.8	-71.6	-82.6	0	0	0	110.5	R672 K673	H658-R672 WeakPolarHBondContact O-CA 3.39Å; H658-K673 HydrophobicContact CB-CB 3.89Å; H658-K673 HydrophobicContact CB-CD 4.01Å; H658-K673 PolarHBondContact O-N 3.11Å
659	V	92.1	Very high	87.5	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	152.2	-179.2	174.5	0	0	0	0	109	T645 A647 C653 L661 I670 A671 I697 F738	T645-V659 PolarHBondContact N-O 3.23Å; T645-V659 PolarHBondContact O-N 3.15Å; T645-V659 WeakPolarHBondContact OG1-CB 3.44Å; A647-V659 HydrophobicContact CB-CG2 4.19Å; C653-V659 VanDerWaalsContact SG-CG2 3.53Å; V659-L661 HydrophobicContact CG1-CD2 3.85Å; V659-L661 HydrophobicContact CG1-CG 4.26Å; V659-I670 HydrophobicContact CG1-CG2 3.75Å; V659-A671 CarbonylContact C-O 3.56Å; V659-A671 WeakPolarHBondContact CA-O 3.48Å; V659-I697 HydrophobicContact CG2-CD1 4.46Å; V659-F738 HydrophobicContact CG1-CE1 4.15Å
660	T	93.6	Very high	88.1	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124	167.1	-51.1	0	0	0	0	106.8	R642 V643 F662 A671 L694	R642-T660 HydrophobicContact CG-CG2 3.9Å; V643-T660 WeakPolarHBondContact O-CA 2.95Å; T660-F662 HydrophobicContact CG2-CD2 4.26Å; T660-F662 HydrophobicContact CG2-CE1 4.04Å; T660-F662 HydrophobicContact CG2-CE2 3.66Å; T660-F662 HydrophobicContact CG2-CZ 3.54Å; T660-A671 PolarHBondContact N-O 3.41Å; T660-A671 PolarHBondContact O-N 3.05Å; T660-A671 VanDerWaalsContact O-N 3.11Å; T660-L694 HydrophobicContact CG2-CD1 4.29Å
661	L	93.8	Very high	88.9	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.8	176.5	-62.4	179.3	0	0	0	108.1	R642 V643 T645 V659 L668 I670 F721 F738 W750	R642-L661 WeakPolarHBondContact CA-O 3.38Å; V643-L661 PolarHBondContact N-O 2.98Å; V643-L661 PolarHBondContact O-N 2.62Å; T645-L661 HydrophobicContact CG2-CD1 3.81Å; T645-L661 HydrophobicContact CG2-CG 4.22Å; V659-L661 HydrophobicContact CG1-CD2 3.85Å; V659-L661 HydrophobicContact CG1-CG 4.26Å; L661-L668 HydrophobicContact CB-CD1 4.23Å; L661-I670 HydrophobicContact CD2-CB 4.29Å; L661-I670 HydrophobicContact CD2-CD1 4.46Å; L661-I670 HydrophobicContact CD2-CG1 3.87Å; L661-I670 HydrophobicContact CD2-CG2 4.03Å; L661-F721 HydrophobicContact CD1-CZ 3.84Å; L661-F738 HydrophobicContact CD1-CD2 4.33Å; L661-F738 HydrophobicContact CD1-CE2 4.39Å; L661-F738 HydrophobicContact CD1-CG 4.44Å; L661-F738 HydrophobicContact CD2-CE1 4.34Å; L661-F738 HydrophobicContact CD2-CZ 4.13Å; L661-W750 HydrophobicContact CB-CH2 4.43Å; L661-W750 HydrophobicContact CB-CZ2 4.43Å; L661-W750 HydrophobicContact CD1-CZ2 4.08Å
662	F	94.3	Very high	89.6	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	103.4	172.1	-56.2	-91.3	0	0	0	108.1	V621 V625 L639 R642 T660 F664 E669 A671 L694	V621-F662 HydrophobicContact CB-CD1 4.46Å; V621-F662 HydrophobicContact CB-CE1 4.47Å; V621-F662 HydrophobicContact CG1-CD1 4.02Å; V621-F662 HydrophobicContact CG1-CD2 3.99Å; V621-F662 HydrophobicContact CG1-CE1 4.13Å; V621-F662 HydrophobicContact CG1-CE2 4.1Å; V621-F662 HydrophobicContact CG1-CG 3.94Å; V621-F662 HydrophobicContact CG1-CZ 4.16Å; V621-F662 HydrophobicContact CG2-CD1 3.52Å; V621-F662 HydrophobicContact CG2-CE1 3.61Å; V621-F662 HydrophobicContact CG2-CG 4.22Å; V621-F662 HydrophobicContact CG2-CZ 4.36Å; V625-F662 HydrophobicContact CG2-CE2 3.95Å; V625-F662 HydrophobicContact CG2-CZ 4.42Å; L639-F662 HydrophobicContact CD1-CB 3.96Å; L639-F662 HydrophobicContact CD1-CD1 4.28Å; R642-F662 HydrophobicContact CB-CD1 4.05Å; R642-F662 HydrophobicContact CB-CE1 4.26Å; R642-F662 HydrophobicContact CG-CD1 3.91Å; R642-F662 HydrophobicContact CG-CE1 3.66Å; R642-F662 HydrophobicContact CG-CZ 4.49Å; T660-F662 HydrophobicContact CG2-CD2 4.26Å; T660-F662 HydrophobicContact CG2-CE1 4.04Å; T660-F662 HydrophobicContact CG2-CE2 3.66Å; T660-F662 HydrophobicContact CG2-CZ 3.54Å; F662-F664 HydrophobicContact CB-CD2 4.49Å; F662-F664 HydrophobicContact CB-CE2 3.62Å; F662-F664 HydrophobicContact CB-CZ 3.93Å; F662-F664 VanDerWaalsContact O-CD2 3.31Å; F662-F664 WeakPolarHBondContact O-CD2 3.36Å; F662-F664 WeakPolarHBondContact O-CE2 3.5Å; F662-E669 HydrophobicContact CB-CB 4.21Å; F662-E669 HydrophobicContact CD2-CG 4.16Å; F662-E669 PolarHBondContact N-O 3.28Å; F662-E669 PolarHBondContact O-N 3.2Å; F662-A671 HydrophobicContact CE2-CB 4.34Å; F662-L694 HydrophobicContact CE2-CD1 3.7Å; F662-L694 HydrophobicContact CZ-CD1 3.56Å
663	L	94.1	Very high	90.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	119.9	175.1	177.6	65.5	0	0	0	108.5	V640 H641 L668 L702 W750 T753 L754	V640-L663 WeakPolarHBondContact CA-O 3.4Å; V640-L663 HydrophobicContact CB-CD2 4.29Å; V640-L663 HydrophobicContact CB-CG 4.14Å; V640-L663 WeakPolarHBondContact CB-O 3.42Å; V640-L663 HydrophobicContact CG1-CD2 4.1Å; V640-L663 HydrophobicContact CG1-CG 4.49Å; V640-L663 PolarHBondContact N-O 3.45Å; H641-L663 PolarHBondContact N-O 3.16Å; H641-L663 PolarHBondContact O-N 2.88Å; L663-L668 HydrophobicContact CB-CD1 4.06Å; L663-L668 HydrophobicContact CD1-CD1 4.23Å; L663-L702 HydrophobicContact CD1-CD1 4.04Å; L663-L702 HydrophobicContact CD1-CD2 3.83Å; L663-W750 HydrophobicContact CB-CH2 3.9Å; L663-W750 HydrophobicContact CB-CZ3 3.95Å; L663-W750 HydrophobicContact CD2-CH2 4.37Å; L663-W750 HydrophobicContact CD2-CZ3 3.96Å; L663-T753 HydrophobicContact CD2-CG2 4.45Å; L663-L754 HydrophobicContact CD2-CB 4.32Å
664	F	92.9	Very high	89.9	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	174.6	167	-56.7	-90	0	0	0	109.7	I618 V621 L632 R637 S638 L639 F662 D666 C667 E669	I618-F664 HydrophobicContact CG1-CD1 4.31Å; I618-F664 HydrophobicContact CG1-CE1 3.9Å; I618-F664 HydrophobicContact CG2-CE1 4.4Å; V621-F664 HydrophobicContact CG1-CZ 4.26Å; V621-F664 HydrophobicContact CG2-CZ 4.46Å; L632-F664 HydrophobicContact CD1-CD2 3.98Å; L632-F664 HydrophobicContact CD1-CE1 4.33Å; L632-F664 HydrophobicContact CD1-CE2 3.68Å; L632-F664 HydrophobicContact CD1-CG 4.43Å; L632-F664 HydrophobicContact CD1-CZ 3.88Å; L632-F664 HydrophobicContact CD2-CE2 4.2Å; L632-F664 HydrophobicContact CD2-CZ 3.9Å; L632-F664 HydrophobicContact CG-CZ 4.3Å; R637-F664 HydrophobicContact CG-CB 3.71Å; R637-F664 HydrophobicContact CG-CD1 3.72Å; R637-F664 HydrophobicContact CG-CG 3.92Å; S638-F664 VanDerWaalsContact O-CA 3.26Å; S638-F664 WeakPolarHBondContact O-CA 3.16Å; S638-F664 WeakPolarHBondContact O-CB 3.35Å; L639-F664 HydrophobicContact CB-CD1 4.06Å; L639-F664 HydrophobicContact CB-CE1 3.85Å; L639-F664 HydrophobicContact CD1-CD1 4.03Å; L639-F664 HydrophobicContact CD1-CE1 3.58Å; L639-F664 HydrophobicContact CD1-CE2 4.34Å; L639-F664 HydrophobicContact CD1-CZ 3.76Å; L639-F664 HydrophobicContact CG-CE1 4.3Å; F662-F664 HydrophobicContact CB-CD2 4.49Å; F662-F664 HydrophobicContact CB-CE2 3.62Å; F662-F664 HydrophobicContact CB-CZ 3.93Å; F662-F664 VanDerWaalsContact O-CD2 3.31Å; F662-F664 WeakPolarHBondContact O-CD2 3.36Å; F662-F664 WeakPolarHBondContact O-CE2 3.5Å; F664-D666 VanDerWaalsContact C-N 3.27Å; F664-D666 PolarHBondContact O-N 3.48Å; F664-C667 WeakPolarHBondContact CA-O 3.42Å; F664-C667 WeakPolarHBondContact CB-O 3.28Å; F664-C667 PolarHBondContact N-O 2.84Å; F664-E669 HydrophobicContact CE2-CB 3.87Å
665	N	90.8	Very high	89.3	Confident	50 Å²	50	32.3 Å²	32.3	27%	0.267	15%	0.145	S	C	.	.	S	Bend	trans	-65.1	-23.7	-179.5	57.8	-30.3	0	0	0	114.8	H636 R637 S638 V640 T761	H636-N665 PolarHBondContact O-ND2 3.29Å; R637-N665 VanDerWaalsContact CA-OD1 3.27Å; R637-N665 WeakPolarHBondContact CA-OD1 3.28Å; S638-N665 PolarHBondContact N-OD1 2.9Å; S638-N665 PolarHBondContact O-N 2.95Å; V640-N665 HydrophobicContact CG2-CB 4.44Å; N665-T761 PolarHBondContact O-OG1 2.75Å
666	D	89.6	Confident	88.1	Confident	55 Å²	55	39 Å²	39	29%	0.294	18%	0.175	S	C	.	.	S	Bend	trans	-127.3	-14.1	-178.2	71.4	-35.5	0	0	0	115	R637 F664 L702	R637-D666 IonicContact CZ-OD1 2.67Å; R637-D666 IonicContact CZ-OD2 3.75Å; R637-D666 IonicContact NE-OD1 3.85Å; R637-D666 PolarHBondContact NE-OD1 2.82Å; R637-D666 IonicContact NE-OD2 2.67Å; R637-D666 IonicContact NH2-OD1 2.67Å; R637-D666 PolarHBondContact NH2-OD1 3.06Å; R637-D666 IonicContact NH2-OD2 3.64Å; R637-D666 PolarHBondContact NH2-OD2 2.9Å; F664-D666 VanDerWaalsContact C-N 3.27Å; F664-D666 PolarHBondContact O-N 3.48Å; D666-L702 PolarHBondContact O-N 3.25Å
667	C	91.9	Very high	86.7	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.02	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	160.8	-179	67	0	0	0	0	113.8	R637 F664 L699 M700	R637-C667 PolarHBondContact NE-SG 3.23Å; F664-C667 WeakPolarHBondContact CA-O 3.42Å; F664-C667 WeakPolarHBondContact CB-O 3.28Å; F664-C667 PolarHBondContact N-O 2.84Å; C667-L699 HydrophobicContact CB-CD1 4.19Å; C667-M700 CarbonylContact C-O 3.53Å; C667-M700 VanDerWaalsContact CA-O 3.3Å; C667-M700 WeakPolarHBondContact CA-O 3.42Å; C667-M700 WeakPolarHBondContact CB-O 3.41Å
668	L	93.8	Very high	84.7	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.3	171.5	-173.2	67	0	0	0	109.1	L661 L663 I670 M700 L702 L723	L661-L668 HydrophobicContact CB-CD1 4.23Å; L663-L668 HydrophobicContact CB-CD1 4.06Å; L663-L668 HydrophobicContact CD1-CD1 4.23Å; L668-I670 HydrophobicContact CG-CG1 4.44Å; L668-M700 HydrophobicContact CB-CE 4.23Å; L668-M700 HydrophobicContact CD2-CE 3.81Å; L668-M700 PolarHBondContact N-O 3.19Å; L668-M700 PolarHBondContact O-N 3.49Å; L668-L702 HydrophobicContact CB-CD2 4.03Å; L668-L723 HydrophobicContact CD2-CD1 3.7Å
669	E	93.9	Very high	82.4	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	130.3	170	168.7	70.5	169	0	0	109.2	C628 F662 F664 H696 L699	C628-E669 PolarHBondContact SG-OE1 3.34Å; C628-E669 VanDerWaalsContact SG-OE1 3.34Å; F662-E669 HydrophobicContact CB-CB 4.21Å; F662-E669 HydrophobicContact CD2-CG 4.16Å; F662-E669 PolarHBondContact N-O 3.28Å; F662-E669 PolarHBondContact O-N 3.2Å; F664-E669 HydrophobicContact CE2-CB 3.87Å; E669-H696 VanDerWaalsContact CD-ND1 3.29Å; E669-H696 IonicContact OE1-CE1 2.67Å; E669-H696 IonicContact OE1-CG 3.07Å; E669-H696 IonicContact OE1-ND1 2.69Å; E669-H696 PolarHBondContact OE1-ND1 2.87Å; E669-H696 IonicContact OE2-CE1 3.63Å; E669-H696 PolarHBondContact OE2-CE1 3.41Å; E669-H696 IonicContact OE2-ND1 3.74Å; E669-H696 PolarHBondContact OE2-ND1 3.03Å; E669-H696 VanDerWaalsContact OE2-ND1 3.11Å; E669-L699 HydrophobicContact CB-CD1 3.95Å; E669-L699 WeakPolarHBondContact OE2-CA 3.31Å; E669-L699 WeakPolarHBondContact OE2-CB 3.36Å
670	I	93.4	Very high	80.1	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	114.8	179.4	-51.3	-176	0	0	0	107.7	P652 V659 L661 L668 I697 A698 F736	P652-I670 HydrophobicContact CG-CD1 4.23Å; P652-I670 HydrophobicContact CG-CG2 4.11Å; V659-I670 HydrophobicContact CG1-CG2 3.75Å; L661-I670 HydrophobicContact CD2-CB 4.29Å; L661-I670 HydrophobicContact CD2-CD1 4.46Å; L661-I670 HydrophobicContact CD2-CG1 3.87Å; L661-I670 HydrophobicContact CD2-CG2 4.03Å; L668-I670 HydrophobicContact CG-CG1 4.44Å; I670-I697 HydrophobicContact CB-CB 4.49Å; I670-I697 HydrophobicContact CG2-CB 4.25Å; I670-I697 HydrophobicContact CG2-CD1 4.01Å; I670-I697 WeakPolarHBondContact O-CA 3.37Å; I670-I697 WeakPolarHBondContact O-CB 3.43Å; I670-I697 PolarHBondContact O-N 3.33Å; I670-A698 PolarHBondContact N-O 3.44Å; I670-A698 PolarHBondContact O-N 3.36Å; I670-F736 HydrophobicContact CD1-CD2 4.29Å; I670-F736 HydrophobicContact CD1-CE2 4.46Å
671	A	93.4	Very high	77.9	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.2	177.4	0	0	0	0	0	110.9	V625 V659 T660 F662 L694 K695	V625-A671 HydrophobicContact CG1-CB 3.82Å; V625-A671 HydrophobicContact CG2-CB 3.86Å; V659-A671 CarbonylContact C-O 3.56Å; V659-A671 WeakPolarHBondContact CA-O 3.48Å; T660-A671 PolarHBondContact N-O 3.41Å; T660-A671 PolarHBondContact O-N 3.05Å; T660-A671 VanDerWaalsContact O-N 3.11Å; F662-A671 HydrophobicContact CE2-CB 4.34Å; A671-L694 HydrophobicContact CB-CB 4.13Å; A671-L694 HydrophobicContact CB-CD1 4.41Å; A671-K695 CarbonylContact C-O 3.56Å; A671-K695 VanDerWaalsContact CA-O 3.25Å; A671-K695 WeakPolarHBondContact CA-O 3.43Å
672	R	91.4	Very high	75.4	Confident	73 Å²	73	76.2 Å²	76.2	28%	0.275	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	150.1	176.3	57.1	173.8	176.7	178.1	-5.1	113.3	E657 H658 R674 L694 K695 I697	E657-R672 IonicContact OE1-NH1 2.78Å; E657-R672 PolarHBondContact OE1-NH1 3.43Å; E657-R672 WeakPolarHBondContact OE2-CD 3.37Å; E657-R672 IonicContact OE2-CZ 3.54Å; E657-R672 IonicContact OE2-NE 3.96Å; E657-R672 IonicContact OE2-NH1 3.42Å; E657-R672 PolarHBondContact OE2-NH1 2.88Å; H658-R672 WeakPolarHBondContact O-CA 3.39Å; R672-R674 PolarHBondContact O-N 2.79Å; R672-L694 CarbonylContact O-C 3.56Å; R672-L694 WeakPolarHBondContact O-CA 3.5Å; R672-K695 PolarHBondContact N-O 3.36Å; R672-K695 PolarHBondContact O-N 3.1Å; R672-I697 HydrophobicContact CB-CD1 3.71Å; R672-I697 HydrophobicContact CB-CG1 4.34Å; R672-I697 HydrophobicContact CG-CD1 3.84Å; R672-I697 HydrophobicContact CG-CG1 3.94Å
673	K	87.1	Confident	72.7	Confident	87 Å²	87	81.5 Å²	81.5	38%	0.378	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	125.8	174.8	-139.8	153.2	-171.1	150.4	0	109.8	E644 H658 H675 L694	E644-K673 IonicContact OE1-NZ 3.22Å; E644-K673 PolarHBondContact OE1-NZ 2.74Å; E644-K673 IonicContact OE2-NZ 3.97Å; E644-K673 PolarHBondContact OE2-NZ 3.11Å; H658-K673 HydrophobicContact CB-CB 3.89Å; H658-K673 HydrophobicContact CB-CD 4.01Å; H658-K673 PolarHBondContact O-N 3.11Å; K673-H675 PolarHBondContact O-N 3.27Å; K673-L694 HydrophobicContact CB-CD2 4.44Å; K673-L694 HydrophobicContact CG-CD2 4.32Å
674	R	79.1	Confident	70.4	Confident	99 Å²	99	87.4 Å²	87.4	37%	0.374	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-72.9	129.9	175.2	-71.8	170.2	123	-147.5	0.9	109.3	D626 R672 P692 P693 L694 K695	D626-R674 IonicContact OD1-NH2 3.25Å; D626-R674 IonicContact OD2-CZ 2.67Å; D626-R674 VanDerWaalsContact OD2-CZ 3.22Å; D626-R674 IonicContact OD2-NE 2.88Å; D626-R674 PolarHBondContact OD2-NE 3.08Å; D626-R674 VanDerWaalsContact OD2-NE 3.17Å; D626-R674 IonicContact OD2-NH2 3.19Å; D626-R674 PolarHBondContact OD2-NH2 3.47Å; R672-R674 PolarHBondContact O-N 2.79Å; R674-P692 WeakPolarHBondContact CD-O 3.2Å; R674-P692 PolarHBondContact NH1-O 3.23Å; R674-P692 VanDerWaalsContact NH1-O 3.16Å; R674-P693 WeakPolarHBondContact CB-O 3.46Å; R674-P693 PolarHBondContact N-O 3.01Å; R674-L694 WeakPolarHBondContact CD-O 3.29Å; R674-K695 HydrophobicContact CG-CB 3.96Å
675	H	69.5	Low	68	Low	132 Å²	132	93.9 Å²	93.9	61%	0.611	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-65.3	134.4	172.5	-64.9	74.4	0	0	0	109	E657 K673 V677	E657-H675 IonicContact OE1-CE1 2.74Å; K673-H675 PolarHBondContact O-N 3.27Å; H675-V677 PolarHBondContact O-N 2.87Å
676	K	58.1	Low	65.9	Low	210 Å²	210	95.2 Å²	95.2	91%	0.913	51%	0.505	S	S	*	.			trans	-65.8	92.2	175	-74.6	-175.1	177.7	179.7	0	110.1	I678	K676-I678 PolarHBondContact O-N 3.19Å
677	V	51.5	Low	63.7	Low	114 Å²	114	101.2 Å²	101.2	69%	0.691	53%	0.531	S	S	*	.			trans	-71.7	111	168.9	-179	0	0	0	0	107.7	H675 N679	H675-V677 PolarHBondContact O-N 2.87Å; V677-N679 VanDerWaalsContact C-N 3.35Å; V677-N679 PolarHBondContact O-N 2.85Å
678	I	45.6	Very low	61.7	Low	161 Å²	161	108.5 Å²	108.5	83%	0.826	58%	0.576	S	S	*	*			trans	-65.2	100.1	165.6	-58.9	173.9	0	0	0	106	K676 T680	K676-I678 PolarHBondContact O-N 3.19Å; I678-T680 PolarHBondContact O-N 3.06Å; I678-T680 VanDerWaalsContact O-N 3.12Å
679	N	41.3	Very low	59.9	Low	114 Å²	114	113.7 Å²	113.7	61%	0.61	60%	0.596	S	S	*	*			trans	-86.7	90	-163.5	-163.5	45.3	0	0	0	110.6	V677 F681	V677-N679 VanDerWaalsContact C-N 3.35Å; V677-N679 PolarHBondContact O-N 2.85Å; N679-F681 PolarHBondContact O-N 3.26Å
680	T	42	Very low	58.4	Low	120 Å²	120	118.1 Å²	118.1	74%	0.736	63%	0.625	S	S	*	*			trans	-58.1	117.7	172.4	11.9	0	0	0	0	110.7	I678	I678-T680 PolarHBondContact O-N 3.06Å; I678-T680 VanDerWaalsContact O-N 3.12Å
681	F	48.5	Very low	57.2	Low	206 Å²	206	123 Å²	123	90%	0.904	66%	0.656	S	S	*	*			trans	33.9	96.8	167.3	-74.2	-87	0	0	0	117.4	N679	N679-F681 PolarHBondContact O-N 3.26Å
682	K	41.7	Very low	56.7	Low	177 Å²	177	124.1 Å²	124.1	77%	0.77	66%	0.664	S	S	*	*			trans	-131	142.9	153	-69.2	-164.2	174.9	-170.8	0	110.6
683	S	36.4	Very low	56.4	Low	110 Å²	110	124 Å²	124	77%	0.769	67%	0.672	S	S	*	*			trans	-64.7	142.7	-171.7	-162.7	0	0	0	0	112.7	V685	S683-V685 PolarHBondContact O-N 3.25Å
684	P	46.7	Very low	56.5	Low	125 Å²	125	120.1 Å²	120.1	81%	0.812	66%	0.655	S	S	*	*			trans	-80.5	104.4	-175.2	31.4	-34.6	0	0	0	112.6
685	V	42.1	Very low	57.1	Low	135 Å²	135	119.6 Å²	119.6	82%	0.818	66%	0.656	S	S	*	*			trans	-140.1	120.3	166.7	-175	0	0	0	0	110.9	S683	S683-V685 PolarHBondContact O-N 3.25Å
686	G	46.3	Very low	58.1	Low	78 Å²	78	115.3 Å²	115.3	80%	0.804	64%	0.636	S	S	*	*	S	Bend	trans	87	11.4	145.6	0	0	0	0	0	120.5
687	Q	44.2	Very low	59.7	Low	181 Å²	181	107.4 Å²	107.4	85%	0.846	60%	0.604	S	S	*	*			trans	-131.7	108.4	171.7	-69.8	-169.2	-16.4	0	0	112.8	R689	Q687-R689 VanDerWaalsContact C-N 3.34Å
688	T	49.2	Very low	61.5	Low	157 Å²	157	103.6 Å²	103.6	96%	0.963	58%	0.584	S	S	*	*			trans	-85.9	0.1	176.5	47.1	0	0	0	0	114
689	R	56.4	Low	63.6	Low	108 Å²	108	97.8 Å²	97.8	41%	0.408	55%	0.554	S	S	.	*	S	Bend	trans	-105.6	132.4	-175.2	173.2	169.8	169.6	-174.4	-5.9	110.6	Y623 Q687	Y623-R689 VanDerWaalsContact CE2-CZ 3.43Å; Y623-R689 VanDerWaalsContact CZ-NE 3.25Å; Y623-R689 PolarHBondContact O-NH2 3.08Å; Y623-R689 WeakPolarHBondContact OH-CD 3.38Å; Q687-R689 VanDerWaalsContact C-N 3.34Å
690	P	62.4	Low	66	Low	94 Å²	94	92.7 Å²	92.7	61%	0.61	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-60.5	143.6	172.6	26.2	-34.6	0	0	0	110.5
691	P	68.9	Low	68.3	Low	101 Å²	101	89.5 Å²	89.5	66%	0.656	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-64.2	132.6	-176	25.4	-33.6	0	0	0	110.7
692	P	81.6	Confident	70.3	Confident	25 Å²	25	79.7 Å²	79.7	16%	0.162	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-51.7	137.8	178.1	12.7	-27.3	0	0	0	112.3	E624 D626 R674	E624-P692 VanDerWaalsContact O-CB 3.24Å; E624-P692 WeakPolarHBondContact O-CB 3.31Å; D626-P692 HydrophobicContact CB-CB 4.2Å; D626-P692 HydrophobicContact CB-CG 3.75Å; R674-P692 WeakPolarHBondContact CD-O 3.2Å; R674-P692 PolarHBondContact NH1-O 3.23Å; R674-P692 VanDerWaalsContact NH1-O 3.16Å
693	P	85.3	Confident	72.5	Confident	71 Å²	71	74.7 Å²	74.7	46%	0.461	45%	0.452	S	S	.	.	S	Bend	trans	-75.6	-27	-175.7	29.3	-36.6	0	0	0	113.9	E624 R674	E624-P693 HydrophobicContact CB-CG 4.36Å; E624-P693 HydrophobicContact CG-CG 4.35Å; E624-P693 VanDerWaalsContact O-CD 3.29Å; E624-P693 WeakPolarHBondContact O-CD 3.3Å; R674-P693 WeakPolarHBondContact CB-O 3.46Å; R674-P693 PolarHBondContact N-O 3.01Å
694	L	90.2	Very high	75	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.021	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	161.9	179.7	-58.2	-179.4	0	0	0	110.4	E624 V625 D626 T660 F662 A671 R672 K673 R674	E624-L694 PolarHBondContact O-N 3.31Å; E624-L694 VanDerWaalsContact O-N 3.1Å; V625-L694 HydrophobicContact CG2-CB 3.95Å; V625-L694 HydrophobicContact CG2-CD1 4.02Å; D626-L694 WeakPolarHBondContact CB-O 3.35Å; D626-L694 PolarHBondContact N-O 3.46Å; T660-L694 HydrophobicContact CG2-CD1 4.29Å; F662-L694 HydrophobicContact CE2-CD1 3.7Å; F662-L694 HydrophobicContact CZ-CD1 3.56Å; A671-L694 HydrophobicContact CB-CB 4.13Å; A671-L694 HydrophobicContact CB-CD1 4.41Å; R672-L694 CarbonylContact O-C 3.56Å; R672-L694 WeakPolarHBondContact O-CA 3.5Å; K673-L694 HydrophobicContact CB-CD2 4.44Å; K673-L694 HydrophobicContact CG-CD2 4.32Å; R674-L694 WeakPolarHBondContact CD-O 3.29Å
695	K	90.6	Very high	77.1	Confident	88 Å²	88	65.8 Å²	65.8	38%	0.383	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.7	168.9	-172.6	-169.3	174.6	-172.5	0	110.8	D626 A671 R672 R674	D626-K695 HydrophobicContact CB-CB 4.07Å; D626-K695 HydrophobicContact CB-CG 4.01Å; D626-K695 WeakPolarHBondContact O-CG 3.25Å; A671-K695 CarbonylContact C-O 3.56Å; A671-K695 VanDerWaalsContact CA-O 3.25Å; A671-K695 WeakPolarHBondContact CA-O 3.43Å; R672-K695 PolarHBondContact N-O 3.36Å; R672-K695 PolarHBondContact O-N 3.1Å; R674-K695 HydrophobicContact CG-CB 3.96Å
696	H	92	Very high	79.2	Confident	42 Å²	42	66.1 Å²	66.1	19%	0.194	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	136.6	172.3	-176.8	66.3	0	0	0	112.4	V625 D626 P629 E669 L699	V625-H696 HydrophobicContact CG1-CB 3.86Å; V625-H696 VanDerWaalsContact CG1-N 3.34Å; D626-H696 WeakPolarHBondContact O-CB 3.27Å; D626-H696 PolarHBondContact O-N 2.88Å; P629-H696 WeakPolarHBondContact CD-CE1 3.39Å; P629-H696 WeakPolarHBondContact CD-ND1 3.27Å; E669-H696 VanDerWaalsContact CD-ND1 3.29Å; E669-H696 IonicContact OE1-CE1 2.67Å; E669-H696 IonicContact OE1-CG 3.07Å; E669-H696 IonicContact OE1-ND1 2.69Å; E669-H696 PolarHBondContact OE1-ND1 2.87Å; E669-H696 IonicContact OE2-CE1 3.63Å; E669-H696 PolarHBondContact OE2-CE1 3.41Å; E669-H696 IonicContact OE2-ND1 3.74Å; E669-H696 PolarHBondContact OE2-ND1 3.03Å; E669-H696 VanDerWaalsContact OE2-ND1 3.11Å; H696-L699 PolarHBondContact CE1-N 2.99Å; H696-L699 VanDerWaalsContact CE1-N 3.31Å
697	I	90.8	Very high	81.2	Confident	45 Å²	45	68.7 Å²	68.7	23%	0.231	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-58.6	165.9	-61.4	164.6	0	0	0	109.3	P652 C653 V659 I670 R672	P652-I697 HydrophobicContact CB-CG2 4.1Å; P652-I697 WeakPolarHBondContact O-CG2 3.44Å; C653-I697 HydrophobicContact CB-CD1 3.84Å; V659-I697 HydrophobicContact CG2-CD1 4.46Å; I670-I697 HydrophobicContact CB-CB 4.49Å; I670-I697 HydrophobicContact CG2-CB 4.25Å; I670-I697 HydrophobicContact CG2-CD1 4.01Å; I670-I697 WeakPolarHBondContact O-CA 3.37Å; I670-I697 WeakPolarHBondContact O-CB 3.43Å; I670-I697 PolarHBondContact O-N 3.33Å; R672-I697 HydrophobicContact CB-CD1 3.71Å; R672-I697 HydrophobicContact CB-CG1 4.34Å; R672-I697 HydrophobicContact CG-CD1 3.84Å; R672-I697 HydrophobicContact CG-CG1 3.94Å
698	A	89.4	Confident	83.4	Confident	34 Å²	34	60.1 Å²	60.1	28%	0.281	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	140.4	-176	0	0	0	0	0	112.3	I670	I670-A698 PolarHBondContact N-O 3.44Å; I670-A698 PolarHBondContact O-N 3.36Å
699	L	90.2	Very high	85.3	Confident	39 Å²	39	53.1 Å²	53.1	20%	0.204	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	107.7	171.2	178.9	60.7	0	0	0	108.3	P629 L632 C667 E669 H696	P629-L699 HydrophobicContact CB-CD2 3.95Å; P629-L699 HydrophobicContact CG-CB 4.07Å; P629-L699 HydrophobicContact CG-CD2 4.08Å; L632-L699 HydrophobicContact CB-CD2 4.49Å; L632-L699 HydrophobicContact CD1-CD1 3.91Å; L632-L699 HydrophobicContact CD1-CD2 4.47Å; C667-L699 HydrophobicContact CB-CD1 4.19Å; E669-L699 HydrophobicContact CB-CD1 3.95Å; E669-L699 WeakPolarHBondContact OE2-CA 3.31Å; E669-L699 WeakPolarHBondContact OE2-CB 3.36Å; H696-L699 PolarHBondContact CE1-N 2.99Å; H696-L699 VanDerWaalsContact CE1-N 3.31Å
700	M	90.6	Very high	86.8	Confident	7 Å²	7	49.1 Å²	49.1	3%	0.034	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	113.5	-168.2	-179.6	176.5	62.4	0	0	111.5	C667 L668 L702 Q704 I705 L723 V725 F736	C667-M700 CarbonylContact C-O 3.53Å; C667-M700 VanDerWaalsContact CA-O 3.3Å; C667-M700 WeakPolarHBondContact CA-O 3.42Å; C667-M700 WeakPolarHBondContact CB-O 3.41Å; L668-M700 HydrophobicContact CB-CE 4.23Å; L668-M700 HydrophobicContact CD2-CE 3.81Å; L668-M700 PolarHBondContact N-O 3.19Å; L668-M700 PolarHBondContact O-N 3.49Å; M700-L702 PolarHBondContact O-N 3.44Å; M700-Q704 HydrophobicContact CG-CB 4Å; M700-Q704 HydrophobicContact SD-CB 4.39Å; M700-I705 HydrophobicContact CE-CD1 3.86Å; M700-I705 HydrophobicContact CE-CG1 3.73Å; M700-I705 HydrophobicContact SD-CG1 4.37Å; M700-L723 HydrophobicContact CE-CD1 4.38Å; M700-V725 HydrophobicContact CE-CG2 4.12Å; M700-V725 HydrophobicContact SD-CB 4.23Å; M700-V725 HydrophobicContact SD-CG1 3.41Å; M700-V725 WeakPolarHBondContact SD-CG1 3.29Å; M700-V725 HydrophobicContact SD-CG2 3.68Å; M700-F736 HydrophobicContact SD-CE2 4.24Å
701	P	90.6	Very high	87.9	Confident	52 Å²	52	44.7 Å²	44.7	34%	0.338	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	135.8	167.6	-25.4	33.8	0	0	0	111.7	S703 Q704	P701-S703 PolarHBondContact O-N 3.23Å; P701-S703 VanDerWaalsContact O-N 3.11Å; P701-Q704 WeakPolarHBondContact O-CB 3.48Å; P701-Q704 PolarHBondContact O-N 3.15Å
702	L	91.1	Very high	88.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-62.8	-23	-175.5	-68.7	177.6	0	0	0	113	L663 D666 L668 M700 Q704 I705 H757 V758 T761	L663-L702 HydrophobicContact CD1-CD1 4.04Å; L663-L702 HydrophobicContact CD1-CD2 3.83Å; D666-L702 PolarHBondContact O-N 3.25Å; L668-L702 HydrophobicContact CB-CD2 4.03Å; M700-L702 PolarHBondContact O-N 3.44Å; L702-Q704 PolarHBondContact O-N 3.12Å; L702-Q704 VanDerWaalsContact O-N 3.16Å; L702-I705 HydrophobicContact CD2-CD1 3.78Å; L702-I705 WeakPolarHBondContact O-CB 3.12Å; L702-I705 PolarHBondContact O-N 2.84Å; L702-H757 HydrophobicContact CD1-CB 3.72Å; L702-V758 HydrophobicContact CB-CG2 4.07Å; L702-V758 HydrophobicContact CD2-CG2 4.08Å; L702-V758 HydrophobicContact CG-CG2 4.46Å; L702-T761 HydrophobicContact CB-CG2 4.16Å
703	S	87.5	Confident	88.6	Confident	72 Å²	72	46.6 Å²	46.6	50%	0.503	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-63.8	-11.2	172	56.3	0	0	0	0	115	P701	P701-S703 PolarHBondContact O-N 3.23Å; P701-S703 VanDerWaalsContact O-N 3.11Å
704	Q	89.4	Confident	88.3	Confident	42 Å²	42	45.6 Å²	45.6	20%	0.196	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-84.3	-16.5	171.5	-61.2	-176.7	13.2	0	0	112.7	M700 P701 L702 R706 V725 R726 P728	M700-Q704 HydrophobicContact CG-CB 4Å; M700-Q704 HydrophobicContact SD-CB 4.39Å; P701-Q704 WeakPolarHBondContact O-CB 3.48Å; P701-Q704 PolarHBondContact O-N 3.15Å; L702-Q704 PolarHBondContact O-N 3.12Å; L702-Q704 VanDerWaalsContact O-N 3.16Å; Q704-R706 PolarHBondContact O-N 3.34Å; Q704-V725 HydrophobicContact CB-CG1 4.37Å; Q704-V725 CarbonylContact O-C 3.51Å; Q704-V725 WeakPolarHBondContact O-CA 3.43Å; Q704-R726 PolarHBondContact O-N 3.06Å; Q704-P728 VanDerWaalsContact NE2-CD 3.35Å
705	I	90.5	Very high	87.3	Confident	6 Å²	6	55.2 Å²	55.2	3%	0.031	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	115.3	175.1	-56.2	179.6	0	0	0	108.3	M700 L702 V708 L723 L754 V758	M700-I705 HydrophobicContact CE-CD1 3.86Å; M700-I705 HydrophobicContact CE-CG1 3.73Å; M700-I705 HydrophobicContact SD-CG1 4.37Å; L702-I705 HydrophobicContact CD2-CD1 3.78Å; L702-I705 WeakPolarHBondContact O-CB 3.12Å; L702-I705 PolarHBondContact O-N 2.84Å; I705-V708 HydrophobicContact CG2-CG2 3.94Å; I705-L723 HydrophobicContact CD1-CD1 4.2Å; I705-L723 HydrophobicContact CG2-CD2 4.46Å; I705-L754 HydrophobicContact CD1-CD2 4.22Å; I705-V758 HydrophobicContact CB-CG1 4.42Å; I705-V758 HydrophobicContact CB-CG2 4.13Å; I705-V758 HydrophobicContact CD1-CG2 3.93Å; I705-V758 HydrophobicContact CG2-CG2 4.32Å
706	R	87.1	Confident	86	Confident	142 Å²	142	54.6 Å²	54.6	54%	0.536	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-38.2	-178.9	-75.9	-88.6	175	159.6	-6.7	112.8	Q704 V724 R726	Q704-R706 PolarHBondContact O-N 3.34Å; R706-V724 HydrophobicContact CB-CB 4.48Å; R706-V724 HydrophobicContact CB-CG1 4.24Å; R706-V724 WeakPolarHBondContact CB-O 3.48Å; R706-V724 PolarHBondContact N-O 3.31Å; R706-R726 HydrophobicContact CG-CB 3.91Å
707	R	87.4	Confident	84.8	Confident	133 Å²	133	52.7 Å²	52.7	50%	0.502	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	159.5	177.2	-58.5	-172.3	-159.6	174.2	7	109.7	L709 V724	R707-L709 HydrophobicContact CB-CD2 4.41Å; R707-V724 HydrophobicContact CB-CB 4.18Å; R707-V724 HydrophobicContact CB-CG2 4.17Å; R707-V724 PolarHBondContact O-N 3.44Å
708	V	90.5	Very high	84.3	Confident	1 Å²	1	54 Å²	54	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120	174.1	-178.4	0	0	0	0	107.4	I705 L723 L751 L754 C755 L770 I771 Q772	I705-V708 HydrophobicContact CG2-CG2 3.94Å; V708-L723 HydrophobicContact CB-CD2 4.44Å; V708-L723 HydrophobicContact CG1-CD2 4.09Å; V708-L723 HydrophobicContact CG2-CD2 3.99Å; V708-L751 HydrophobicContact CG1-CD2 3.75Å; V708-L754 HydrophobicContact CG1-CD2 4.42Å; V708-L754 HydrophobicContact CG2-CD2 3.52Å; V708-C755 VanDerWaalsContact CB-SG 3.6Å; V708-C755 VanDerWaalsContact CG2-SG 3.5Å; V708-L770 PolarHBondContact N-O 3.41Å; V708-I771 CarbonylContact O-C 3.55Å; V708-I771 WeakPolarHBondContact O-CA 3.42Å; V708-Q772 PolarHBondContact O-N 3.2Å
709	L	88.9	Confident	84.1	Confident	10 Å²	10	55.2 Å²	55.2	5%	0.052	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	117.5	-179.3	-49.5	-175.3	0	0	0	108.8	R707 L711 F721 A722 V724 L735 Q772 L779	R707-L709 HydrophobicContact CB-CD2 4.41Å; L709-L711 HydrophobicContact CB-CD2 4.26Å; L709-F721 CarbonylContact O-C 3.55Å; L709-F721 VanDerWaalsContact O-CA 3.31Å; L709-F721 WeakPolarHBondContact O-CA 3.24Å; L709-F721 WeakPolarHBondContact O-CB 3.31Å; L709-A722 HydrophobicContact CB-CB 4.25Å; L709-A722 HydrophobicContact CD1-CB 4.39Å; L709-A722 PolarHBondContact N-O 3.14Å; L709-A722 PolarHBondContact O-N 3.23Å; L709-V724 HydrophobicContact CD1-CG2 3.97Å; L709-V724 HydrophobicContact CD2-CG2 4.2Å; L709-V724 HydrophobicContact CG-CG2 4Å; L709-L735 HydrophobicContact CD1-CD1 3.98Å; L709-Q772 WeakPolarHBondContact CA-O 3.39Å; L709-Q772 HydrophobicContact CD2-CB 3.91Å; L709-Q772 HydrophobicContact CD2-CG 4.46Å; L709-L779 HydrophobicContact CD1-CD1 3.79Å; L709-L779 HydrophobicContact CD1-CD2 4.39Å
710	D	88.6	Confident	84	Confident	24 Å²	24	53.4 Å²	53.4	13%	0.128	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	127.4	163.9	-161.2	-16.1	0	0	0	107.2	K747 L751 I771 Q772 C773 T774	D710-K747 VanDerWaalsContact OD1-CD 3.24Å; D710-K747 WeakPolarHBondContact OD1-CD 3.48Å; D710-K747 WeakPolarHBondContact OD1-CE 3.47Å; D710-K747 IonicContact OD1-NZ 3.6Å; D710-K747 PolarHBondContact OD1-NZ 3.17Å; D710-K747 VanDerWaalsContact OD1-NZ 3.12Å; D710-L751 HydrophobicContact CB-CD1 3.64Å; D710-L751 WeakPolarHBondContact OD2-CD1 3.4Å; D710-I771 HydrophobicContact CB-CG2 4.39Å; D710-Q772 PolarHBondContact N-O 3.29Å; D710-C773 CarbonylContact O-C 3.53Å; D710-C773 WeakPolarHBondContact O-CA 3.09Å; D710-T774 PolarHBondContact O-N 2.68Å
711	L	85.3	Confident	84	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.5	177.8	-53.5	-177.1	0	0	0	108.1	L709 D713 A720 K747 T774 L779 V781	L709-L711 HydrophobicContact CB-CD2 4.26Å; L711-D713 PolarHBondContact O-N 2.69Å; L711-A720 HydrophobicContact CB-CB 4.27Å; L711-A720 HydrophobicContact CD1-CB 3.97Å; L711-A720 PolarHBondContact N-O 3.42Å; L711-K747 PolarHBondContact O-NZ 3.18Å; L711-T774 WeakPolarHBondContact CA-O 3.01Å; L711-L779 HydrophobicContact CD2-CD1 3.62Å; L711-V781 HydrophobicContact CD1-CG1 4.47Å
712	H	82.4	Confident	84	Confident	80 Å²	80	50.6 Å²	50.6	37%	0.37	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-60.4	139.7	177.5	-66.7	133.3	0	0	0	110.7	T714 T774 E775	H712-T714 PolarHBondContact O-N 2.87Å; H712-T774 PolarHBondContact N-O 3.22Å; H712-E775 IonicContact CE1-OE1 3.55Å; H712-E775 PolarHBondContact CE1-OE1 3.25Å; H712-E775 IonicContact CG-OE1 2.61Å; H712-E775 IonicContact ND1-OE1 2.74Å; H712-E775 PolarHBondContact ND1-OE1 3.22Å; H712-E775 IonicContact ND1-OE2 3.01Å
713	D	82.7	Confident	84	Confident	86 Å²	86	50.6 Å²	50.6	46%	0.46	25%	0.247	S	C	.	.			trans	-78.3	112.8	-177.4	-55.7	-70.6	0	0	0	109.6	L711 C717 N719 K747	L711-D713 PolarHBondContact O-N 2.69Å; D713-C717 CarbonylContact C-O 3.44Å; D713-C717 WeakPolarHBondContact CA-O 3.25Å; D713-N719 WeakPolarHBondContact OD1-CA 3.14Å; D713-N719 PolarHBondContact OD1-N 3.29Å; D713-K747 IonicContact OD1-NZ 2.77Å; D713-K747 PolarHBondContact OD1-NZ 3.05Å; D713-K747 IonicContact OD2-NZ 2.74Å; D713-K747 PolarHBondContact OD2-NZ 3.43Å
714	T	79	Confident	84.1	Confident	49 Å²	49	48.4 Å²	48.4	30%	0.301	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-112.7	169.3	178.9	71.8	0	0	0	0	110.6	H712 E716 C717 V718 P776	H712-T714 PolarHBondContact O-N 2.87Å; T714-E716 PolarHBondContact O-N 3.5Å; T714-E716 PolarHBondContact OG1-N 3.16Å; T714-C717 PolarHBondContact N-O 2.75Å; T714-C717 CarbonylContact O-C 3.53Å; T714-C717 PolarHBondContact O-N 3.31Å; T714-C717 VanDerWaalsContact O-N 3.15Å; T714-C717 PolarHBondContact OG1-N 2.87Å; T714-V718 WeakPolarHBondContact O-CG2 3.48Å; T714-P776 HydrophobicContact CG2-CG 3.99Å
715	E	68.5	Low	84.1	Confident	207 Å²	207	46.4 Å²	46.4	97%	0.967	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-17.8	172.7	-61	-174.6	-177.2	0	0	113.3
716	E	62.6	Low	83.9	Confident	75 Å²	75	49.9 Å²	49.9	35%	0.35	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-3	-176.6	-49.8	-162	-166.7	0	0	114	T714 T783 K784	T714-E716 PolarHBondContact O-N 3.5Å; T714-E716 PolarHBondContact OG1-N 3.16Å; E716-T783 WeakPolarHBondContact O-CB 3.47Å; E716-T783 WeakPolarHBondContact O-CG2 3.4Å; E716-T783 PolarHBondContact O-N 3.28Å; E716-T783 PolarHBondContact O-OG1 3.3Å; E716-K784 WeakPolarHBondContact OE1-CE 3.47Å; E716-K784 IonicContact OE1-NZ 2.62Å; E716-K784 PolarHBondContact OE1-NZ 3.32Å; E716-K784 WeakPolarHBondContact OE2-CD 3.26Å; E716-K784 WeakPolarHBondContact OE2-CE 3.09Å; E716-K784 IonicContact OE2-NZ 2.74Å; E716-K784 PolarHBondContact OE2-NZ 3.44Å
717	C	68.5	Low	83.5	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.014	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-158.8	105.5	-176	-155.8	0	0	0	0	110.7	D713 T714 A720 P776 T783	D713-C717 CarbonylContact C-O 3.44Å; D713-C717 WeakPolarHBondContact CA-O 3.25Å; T714-C717 PolarHBondContact N-O 2.75Å; T714-C717 CarbonylContact O-C 3.53Å; T714-C717 PolarHBondContact O-N 3.31Å; T714-C717 VanDerWaalsContact O-N 3.15Å; T714-C717 PolarHBondContact OG1-N 2.87Å; C717-A720 WeakPolarHBondContact SG-CB 3.35Å; C717-P776 HydrophobicContact CB-CB 4.2Å; C717-P776 HydrophobicContact CB-CG 4.22Å; C717-T783 HydrophobicContact CB-CG2 4.31Å
718	V	79.8	Confident	82.9	Confident	71 Å²	71	42.9 Å²	42.9	43%	0.43	22%	0.224	S	C	.	.			trans	-122.3	136.3	-176.8	-178.1	0	0	0	0	110.6	T714 A720 Q739	T714-V718 WeakPolarHBondContact O-CG2 3.48Å; V718-A720 VanDerWaalsContact C-N 3.29Å; V718-A720 PolarHBondContact O-N 3.38Å; V718-Q739 VanDerWaalsContact O-CG 3.31Å; V718-Q739 WeakPolarHBondContact O-CG 3.03Å; V718-Q739 PolarHBondContact O-NE2 3.36Å
719	N	84.9	Confident	82	Confident	61 Å²	61	48.1 Å²	48.1	33%	0.326	26%	0.256	S	S	.	.	S	Bend	trans	57.1	35.3	-177	-68.8	-46.8	0	0	0	114.2	D713 L740	D713-N719 WeakPolarHBondContact OD1-CA 3.14Å; D713-N719 PolarHBondContact OD1-N 3.29Å; N719-L740 HydrophobicContact CB-CB 4.17Å; N719-L740 HydrophobicContact CB-CD1 4.49Å; N719-L740 PolarHBondContact O-N 3.29Å
720	A	88	Confident	81.3	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	151.4	179.1	0	0	0	0	0	113.3	L648 L711 C717 V718 F738 K747	L648-A720 HydrophobicContact CD1-CB 3.99Å; L711-A720 HydrophobicContact CB-CB 4.27Å; L711-A720 HydrophobicContact CD1-CB 3.97Å; L711-A720 PolarHBondContact N-O 3.42Å; C717-A720 WeakPolarHBondContact SG-CB 3.35Å; V718-A720 VanDerWaalsContact C-N 3.29Å; V718-A720 PolarHBondContact O-N 3.38Å; A720-F738 CarbonylContact C-O 3.6Å; A720-F738 VanDerWaalsContact CA-O 3.3Å; A720-F738 WeakPolarHBondContact CA-O 3.45Å; A720-K747 WeakPolarHBondContact O-CD 3.29Å
721	F	91.2	Very high	80.5	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	165.5	175.3	71	-82.1	0	0	0	110.1	T645 L661 L709 L723 F738 L740 W750 L751	T645-F721 HydrophobicContact CG2-CE1 4.26Å; T645-F721 HydrophobicContact CG2-CZ 4.4Å; L661-F721 HydrophobicContact CD1-CZ 3.84Å; L709-F721 CarbonylContact O-C 3.55Å; L709-F721 VanDerWaalsContact O-CA 3.31Å; L709-F721 WeakPolarHBondContact O-CA 3.24Å; L709-F721 WeakPolarHBondContact O-CB 3.31Å; F721-L723 HydrophobicContact CD2-CD2 4.37Å; F721-L723 HydrophobicContact CE2-CD2 4.31Å; F721-L723 HydrophobicContact CE2-CG 4.3Å; F721-F738 HydrophobicContact CD1-CB 4.16Å; F721-F738 HydrophobicContact CE1-CB 3.63Å; F721-F738 HydrophobicContact CE2-CB 4.23Å; F721-F738 AromaticContact CE2-CD2 3.84Å; F721-F738 HydrophobicContact CE2-CD2 3.84Å; F721-F738 HydrophobicContact CE2-CG 4.44Å; F721-F738 HydrophobicContact CZ-CB 3.67Å; F721-F738 AromaticContact CZ-CD2 3.91Å; F721-F738 HydrophobicContact CZ-CD2 3.91Å; F721-F738 HydrophobicContact CZ-CG 4.09Å; F721-F738 PolarHBondContact N-O 3.38Å; F721-F738 PolarHBondContact O-N 3.09Å; F721-L740 HydrophobicContact CD1-CD1 4.46Å; F721-L740 HydrophobicContact CD1-CD2 4.25Å; F721-L740 HydrophobicContact CD1-CG 4.02Å; F721-L740 HydrophobicContact CE1-CD2 3.62Å; F721-L740 HydrophobicContact CE1-CG 3.83Å; F721-L740 HydrophobicContact CZ-CD2 4.49Å; F721-W750 AromaticContact CE1-NE1 3.69Å; F721-W750 AromaticContact CE2-NE1 3.68Å; F721-W750 HydrophobicContact CZ-CZ2 4.49Å; F721-W750 AromaticContact CZ-NE1 3.32Å; F721-W750 VanDerWaalsContact CZ-NE1 3.32Å; F721-L751 HydrophobicContact CB-CD1 4.2Å; F721-L751 HydrophobicContact CB-CD2 3.75Å; F721-L751 HydrophobicContact CD2-CD2 3.76Å; F721-L751 HydrophobicContact CE2-CD2 4.49Å; F721-L751 HydrophobicContact CG-CD2 3.77Å
722	A	90	Very high	80.2	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.8	172.4	0	0	0	0	0	112.9	L709 L735 F736	L709-A722 HydrophobicContact CB-CB 4.25Å; L709-A722 HydrophobicContact CD1-CB 4.39Å; L709-A722 PolarHBondContact N-O 3.14Å; L709-A722 PolarHBondContact O-N 3.23Å; A722-L735 HydrophobicContact CB-CD1 3.77Å; A722-L735 HydrophobicContact CB-CG 4.3Å; A722-F736 CarbonylContact C-O 3.58Å; A722-F736 WeakPolarHBondContact CA-O 3.32Å
723	L	91.3	Very high	80.3	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.3	174.5	-55.7	178.4	0	0	0	109.3	L668 M700 I705 V708 F721 V725 F736 F738 L754	L668-L723 HydrophobicContact CD2-CD1 3.7Å; M700-L723 HydrophobicContact CE-CD1 4.38Å; I705-L723 HydrophobicContact CD1-CD1 4.2Å; I705-L723 HydrophobicContact CG2-CD2 4.46Å; V708-L723 HydrophobicContact CB-CD2 4.44Å; V708-L723 HydrophobicContact CG1-CD2 4.09Å; V708-L723 HydrophobicContact CG2-CD2 3.99Å; F721-L723 HydrophobicContact CD2-CD2 4.37Å; F721-L723 HydrophobicContact CE2-CD2 4.31Å; F721-L723 HydrophobicContact CE2-CG 4.3Å; L723-V725 HydrophobicContact CB-CG2 4Å; L723-F736 HydrophobicContact CB-CB 4.43Å; L723-F736 PolarHBondContact N-O 3.13Å; L723-F736 PolarHBondContact O-N 2.61Å; L723-F738 HydrophobicContact CD1-CE2 4.27Å; L723-L754 HydrophobicContact CD2-CD1 4.2Å; L723-L754 HydrophobicContact CD2-CD2 4.04Å
724	V	89.9	Confident	80.4	Confident	25 Å²	25	64.8 Å²	64.8	15%	0.152	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	111.6	170.6	-176.3	0	0	0	0	107.5	R706 R707 L709 N733 L735	R706-V724 HydrophobicContact CB-CB 4.48Å; R706-V724 HydrophobicContact CB-CG1 4.24Å; R706-V724 WeakPolarHBondContact CB-O 3.48Å; R706-V724 PolarHBondContact N-O 3.31Å; R707-V724 HydrophobicContact CB-CB 4.18Å; R707-V724 HydrophobicContact CB-CG2 4.17Å; R707-V724 PolarHBondContact O-N 3.44Å; L709-V724 HydrophobicContact CD1-CG2 3.97Å; L709-V724 HydrophobicContact CD2-CG2 4.2Å; L709-V724 HydrophobicContact CG-CG2 4Å; V724-N733 HydrophobicContact CG1-CB 3.94Å; V724-L735 HydrophobicContact CG2-CD1 4.17Å
725	V	89.5	Confident	80.8	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	144.2	-169.7	176.7	0	0	0	0	110.9	M700 Q704 L723 P727 N733 L734 F736	M700-V725 HydrophobicContact CE-CG2 4.12Å; M700-V725 HydrophobicContact SD-CB 4.23Å; M700-V725 HydrophobicContact SD-CG1 3.41Å; M700-V725 WeakPolarHBondContact SD-CG1 3.29Å; M700-V725 HydrophobicContact SD-CG2 3.68Å; Q704-V725 HydrophobicContact CB-CG1 4.37Å; Q704-V725 CarbonylContact O-C 3.51Å; Q704-V725 WeakPolarHBondContact O-CA 3.43Å; L723-V725 HydrophobicContact CB-CG2 4Å; V725-P727 HydrophobicContact CG1-CG 4.16Å; V725-N733 CarbonylContact O-C 3.49Å; V725-N733 WeakPolarHBondContact O-CA 3.45Å; V725-L734 PolarHBondContact N-O 2.74Å; V725-L734 PolarHBondContact O-N 2.9Å; V725-F736 HydrophobicContact CB-CD2 4.36Å; V725-F736 HydrophobicContact CB-CE2 4.15Å; V725-F736 HydrophobicContact CG1-CE2 4.07Å; V725-F736 HydrophobicContact CG1-CZ 4.43Å; V725-F736 HydrophobicContact CG2-CD2 3.69Å; V725-F736 HydrophobicContact CG2-CE2 3.89Å; V725-F736 HydrophobicContact CG2-CG 4.33Å
726	R	85.4	Confident	81.9	Confident	78 Å²	78	56.2 Å²	56.2	29%	0.294	29%	0.292	S	S	.	.			trans	-120.6	88.5	171.6	-172.8	72.2	64.2	91	3.7	109.9	Q704 R706 E732 N733	Q704-R726 PolarHBondContact O-N 3.06Å; R706-R726 HydrophobicContact CG-CB 3.91Å; R726-E732 VanDerWaalsContact CD-O 3.28Å; R726-E732 WeakPolarHBondContact CD-O 3.4Å; R726-N733 VanDerWaalsContact CZ-OD1 3.25Å; R726-N733 PolarHBondContact NE-OD1 2.77Å; R726-N733 PolarHBondContact NH2-OD1 3.32Å
727	P	79.6	Confident	83.2	Confident	14 Å²	14	52.7 Å²	52.7	9%	0.091	28%	0.276	C	S	.	.			trans	-63.4	147.7	173.2	-16.9	31.4	0	0	0	110.6	V725 T729 E730 L734	V725-P727 HydrophobicContact CG1-CG 4.16Å; P727-T729 WeakPolarHBondContact CB-OG1 3.18Å; P727-T729 PolarHBondContact O-N 3.4Å; P727-E730 PolarHBondContact O-N 2.96Å; P727-L734 HydrophobicContact CG-CD1 3.61Å; P727-L734 HydrophobicContact CG-CG 4.05Å
728	P	74.7	Confident	84.2	Confident	115 Å²	115	52.6 Å²	52.6	75%	0.747	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-10	173.8	30.8	-36.2	0	0	0	113	Q704	Q704-P728 VanDerWaalsContact NE2-CD 3.35Å
729	T	71.9	Confident	84.7	Confident	111 Å²	111	51.1 Å²	51.1	68%	0.681	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-20.8	176.7	44	0	0	0	0	113.5	P727	P727-T729 WeakPolarHBondContact CB-OG1 3.18Å; P727-T729 PolarHBondContact O-N 3.4Å
730	E	73.6	Confident	84.9	Confident	89 Å²	89	49 Å²	49	42%	0.416	25%	0.252	S	S	.	.			trans	-137.2	148.6	-165	-76.1	149	-109	0	0	111.3	P727	P727-E730 PolarHBondContact O-N 2.96Å
731	Q	71.6	Confident	84.7	Confident	188 Å²	188	52.1 Å²	52.1	88%	0.879	27%	0.271	S	S	*	.	S	Bend	trans	-90.9	-15.4	-174	-62.6	-171.9	1.2	0	0	113.4
732	E	79.6	Confident	83.6	Confident	154 Å²	154	54.7 Å²	54.7	72%	0.72	30%	0.297	S	S	*	.	S	Bend	trans	-93.9	177.9	-176.5	-58.4	-168.2	174.8	0	0	112	R726	R726-E732 VanDerWaalsContact CD-O 3.28Å; R726-E732 WeakPolarHBondContact CD-O 3.4Å
733	N	84.1	Confident	82.2	Confident	90 Å²	90	64.3 Å²	64.3	48%	0.481	34%	0.342	S	S	.	.			trans	-99	126.4	171.9	-50.1	-73.7	0	0	0	109	V724 V725 R726	V724-N733 HydrophobicContact CG1-CB 3.94Å; V725-N733 CarbonylContact O-C 3.49Å; V725-N733 WeakPolarHBondContact O-CA 3.45Å; R726-N733 VanDerWaalsContact CZ-OD1 3.25Å; R726-N733 PolarHBondContact NE-OD1 2.77Å; R726-N733 PolarHBondContact NH2-OD1 3.32Å
734	L	85.5	Confident	80.7	Confident	30 Å²	30	73.9 Å²	73.9	16%	0.157	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	152	169.7	-54.9	-173.8	0	0	0	110.2	V725 P727 F736	V725-L734 PolarHBondContact N-O 2.74Å; V725-L734 PolarHBondContact O-N 2.9Å; P727-L734 HydrophobicContact CG-CD1 3.61Å; P727-L734 HydrophobicContact CG-CG 4.05Å; L734-F736 HydrophobicContact CB-CD1 4.32Å; L734-F736 HydrophobicContact CB-CE1 3.74Å; L734-F736 HydrophobicContact CB-CZ 4.26Å; L734-F736 HydrophobicContact CD1-CE1 3.87Å; L734-F736 HydrophobicContact CD1-CZ 3.99Å; L734-F736 HydrophobicContact CG-CE1 4.49Å
735	L	87.4	Confident	79.7	Confident	58 Å²	58	75.6 Å²	75.6	30%	0.304	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	104.2	179	-175.7	73	0	0	0	109.6	L709 A722 V724 S737 L779	L709-L735 HydrophobicContact CD1-CD1 3.98Å; A722-L735 HydrophobicContact CB-CD1 3.77Å; A722-L735 HydrophobicContact CB-CG 4.3Å; V724-L735 HydrophobicContact CG2-CD1 4.17Å; L735-S737 PolarHBondContact O-N 3.43Å; L735-L779 HydrophobicContact CD2-CB 4.18Å; L735-L779 HydrophobicContact CD2-CD1 4.45Å; L735-L779 HydrophobicContact CD2-CD2 4.07Å; L735-L779 HydrophobicContact CD2-CG 4.47Å
736	F	90.3	Very high	79.4	Confident	17 Å²	17	79.7 Å²	79.7	8%	0.075	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	95.5	177.5	-60.7	-16.4	0	0	0	109.5	E651 P652 I670 M700 A722 L723 V725 L734 F738	E651-F736 HydrophobicContact CB-CD1 4.24Å; E651-F736 HydrophobicContact CB-CE1 4.15Å; P652-F736 HydrophobicContact CB-CD1 4.23Å; P652-F736 HydrophobicContact CB-CD2 4.49Å; P652-F736 HydrophobicContact CB-CE1 4.05Å; P652-F736 HydrophobicContact CB-CE2 4.32Å; P652-F736 HydrophobicContact CB-CG 4.47Å; P652-F736 HydrophobicContact CB-CZ 4.11Å; P652-F736 HydrophobicContact CG-CD1 4.37Å; P652-F736 HydrophobicContact CG-CD2 4.34Å; P652-F736 HydrophobicContact CG-CG 4.23Å; I670-F736 HydrophobicContact CD1-CD2 4.29Å; I670-F736 HydrophobicContact CD1-CE2 4.46Å; M700-F736 HydrophobicContact SD-CE2 4.24Å; A722-F736 CarbonylContact C-O 3.58Å; A722-F736 WeakPolarHBondContact CA-O 3.32Å; L723-F736 HydrophobicContact CB-CB 4.43Å; L723-F736 PolarHBondContact N-O 3.13Å; L723-F736 PolarHBondContact O-N 2.61Å; V725-F736 HydrophobicContact CB-CD2 4.36Å; V725-F736 HydrophobicContact CB-CE2 4.15Å; V725-F736 HydrophobicContact CG1-CE2 4.07Å; V725-F736 HydrophobicContact CG1-CZ 4.43Å; V725-F736 HydrophobicContact CG2-CD2 3.69Å; V725-F736 HydrophobicContact CG2-CE2 3.89Å; V725-F736 HydrophobicContact CG2-CG 4.33Å; L734-F736 HydrophobicContact CB-CD1 4.32Å; L734-F736 HydrophobicContact CB-CE1 3.74Å; L734-F736 HydrophobicContact CB-CZ 4.26Å; L734-F736 HydrophobicContact CD1-CE1 3.87Å; L734-F736 HydrophobicContact CD1-CZ 3.99Å; L734-F736 HydrophobicContact CG-CE1 4.49Å; F736-F738 HydrophobicContact CB-CE2 3.65Å; F736-F738 HydrophobicContact CB-CZ 3.98Å; F736-F738 WeakPolarHBondContact O-CD2 3.31Å; F736-F738 WeakPolarHBondContact O-CE2 3.43Å
737	S	89.5	Confident	79.4	Confident	2 Å²	2	76.6 Å²	76.6	1%	0.014	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.9	-178.4	-56	0	0	0	0	111.8	L648 L735	L648-S737 PolarHBondContact N-O 2.96Å; L735-S737 PolarHBondContact O-N 3.43Å
738	F	90.8	Very high	79.7	Confident	0 Å²	0	81 Å²	81	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	151.6	-174.7	-61.4	-75.2	0	0	0	112.5	T645 I646 P652 V659 L661 A720 F721 L723 F736	T645-F738 HydrophobicContact CG2-CB 4.47Å; I646-F738 CarbonylContact O-C 3.59Å; I646-F738 VanDerWaalsContact O-CA 3.28Å; I646-F738 WeakPolarHBondContact O-CA 2.99Å; P652-F738 HydrophobicContact CG-CZ 4.16Å; V659-F738 HydrophobicContact CG1-CE1 4.15Å; L661-F738 HydrophobicContact CD1-CD2 4.33Å; L661-F738 HydrophobicContact CD1-CE2 4.39Å; L661-F738 HydrophobicContact CD1-CG 4.44Å; L661-F738 HydrophobicContact CD2-CE1 4.34Å; L661-F738 HydrophobicContact CD2-CZ 4.13Å; A720-F738 CarbonylContact C-O 3.6Å; A720-F738 VanDerWaalsContact CA-O 3.3Å; A720-F738 WeakPolarHBondContact CA-O 3.45Å; F721-F738 HydrophobicContact CD1-CB 4.16Å; F721-F738 HydrophobicContact CE1-CB 3.63Å; F721-F738 HydrophobicContact CE2-CB 4.23Å; F721-F738 AromaticContact CE2-CD2 3.84Å; F721-F738 HydrophobicContact CE2-CD2 3.84Å; F721-F738 HydrophobicContact CE2-CG 4.44Å; F721-F738 HydrophobicContact CZ-CB 3.67Å; F721-F738 AromaticContact CZ-CD2 3.91Å; F721-F738 HydrophobicContact CZ-CD2 3.91Å; F721-F738 HydrophobicContact CZ-CG 4.09Å; F721-F738 PolarHBondContact N-O 3.38Å; F721-F738 PolarHBondContact O-N 3.09Å; L723-F738 HydrophobicContact CD1-CE2 4.27Å; F736-F738 HydrophobicContact CB-CE2 3.65Å; F736-F738 HydrophobicContact CB-CZ 3.98Å; F736-F738 WeakPolarHBondContact O-CD2 3.31Å; F736-F738 WeakPolarHBondContact O-CE2 3.43Å
739	Q	89.4	Confident	80.4	Confident	39 Å²	39	78.4 Å²	78.4	18%	0.182	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.5	164.5	-163	175	13.6	0	0	109.4	T645 I646 L648 V718	T645-Q739 CarbonylContact C-O 3.56Å; T645-Q739 WeakPolarHBondContact CA-O 3.12Å; T645-Q739 VanDerWaalsContact CB-O 3.23Å; T645-Q739 WeakPolarHBondContact CB-O 3.48Å; I646-Q739 HydrophobicContact CB-CB 4.36Å; I646-Q739 PolarHBondContact N-O 3.25Å; I646-Q739 PolarHBondContact O-N 3Å; L648-Q739 HydrophobicContact CD1-CB 4.08Å; L648-Q739 HydrophobicContact CD2-CB 4.1Å; L648-Q739 HydrophobicContact CG-CB 4.21Å; V718-Q739 VanDerWaalsContact O-CG 3.31Å; V718-Q739 WeakPolarHBondContact O-CG 3.03Å; V718-Q739 PolarHBondContact O-NE2 3.36Å
740	L	89.3	Confident	81.2	Confident	17 Å²	17	73.2 Å²	73.2	9%	0.089	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	142.2	173.8	-62.1	162.5	0	0	0	110.5	V643 T645 N719 F721 K747 W750	V643-L740 HydrophobicContact CG1-CD2 3.45Å; V643-L740 VanDerWaalsContact CG1-CD2 3.45Å; T645-L740 HydrophobicContact CG2-CD2 4.17Å; N719-L740 HydrophobicContact CB-CB 4.17Å; N719-L740 HydrophobicContact CB-CD1 4.49Å; N719-L740 PolarHBondContact O-N 3.29Å; F721-L740 HydrophobicContact CD1-CD1 4.46Å; F721-L740 HydrophobicContact CD1-CD2 4.25Å; F721-L740 HydrophobicContact CD1-CG 4.02Å; F721-L740 HydrophobicContact CE1-CD2 3.62Å; F721-L740 HydrophobicContact CE1-CG 3.83Å; F721-L740 HydrophobicContact CZ-CD2 4.49Å; L740-K747 HydrophobicContact CD1-CB 3.63Å; L740-K747 HydrophobicContact CD1-CG 3.88Å; L740-W750 HydrophobicContact CD2-CG 4.37Å
741	V	83.2	Confident	82	Confident	67 Å²	67	69 Å²	69	41%	0.406	35%	0.35	S	S	.	.			trans	-119.2	111.5	178.6	-177.7	0	0	0	0	110.3	E644 I646	E644-V741 HydrophobicContact CB-CB 4.48Å; E644-V741 PolarHBondContact O-N 3.24Å; I646-V741 HydrophobicContact CB-CG2 4.47Å; I646-V741 HydrophobicContact CD1-CG2 3.65Å; I646-V741 HydrophobicContact CG1-CG2 3.73Å
742	G	69.3	Low	82.9	Confident	53 Å²	53	65.3 Å²	65.3	55%	0.546	33%	0.328	S	S	.	.			trans	125.9	150.1	175.8	0	0	0	0	0	113.2	E744	G742-E744 VanDerWaalsContact C-N 3.34Å
743	E	61.1	Low	83.4	Confident	203 Å²	203	59 Å²	59	95%	0.949	30%	0.3	S	S	*	.	S	Bend	trans	-83.7	-9.9	178.2	-61	-178.2	148.9	0	0	113	M745	E743-M745 VanDerWaalsContact C-N 3.33Å; E743-M745 PolarHBondContact O-N 2.84Å
744	E	58.8	Low	83.8	Confident	200 Å²	200	54.7 Å²	54.7	94%	0.935	28%	0.277	S	S	*	.	S	Bend	trans	-73.9	-17.6	-170.7	-167.8	169.7	-152	0	0	114	G742	G742-E744 VanDerWaalsContact C-N 3.34Å
745	M	69.3	Low	84.1	Confident	62 Å²	62	53.3 Å²	53.3	31%	0.305	27%	0.27	S	S	.	.	S	Bend	trans	-133.1	122.2	-177.6	-170.3	174.9	-69.7	0	0	112.6	V643 E743 K747 W750	V643-M745 HydrophobicContact CG2-CE 4.14Å; V643-M745 HydrophobicContact CG2-SD 3.65Å; E743-M745 VanDerWaalsContact C-N 3.33Å; E743-M745 PolarHBondContact O-N 2.84Å; M745-K747 PolarHBondContact O-N 2.87Å; M745-W750 HydrophobicContact CG-CB 4.33Å; M745-W750 HydrophobicContact SD-CB 3.9Å; M745-W750 HydrophobicContact SD-CE3 4.21Å; M745-W750 HydrophobicContact SD-CG 4.47Å
746	V	82.3	Confident	84.2	Confident	86 Å²	86	57 Å²	57	52%	0.521	28%	0.28	S	S	.	.			trans	-73.3	124.8	178	-179.7	0	0	0	0	110.5	R748 D749 W750	V746-R748 VanDerWaalsContact C-N 3.3Å; V746-R748 HydrophobicContact CG1-CB 4.26Å; V746-R748 PolarHBondContact O-N 2.98Å; V746-D749 HydrophobicContact CB-CB 4.45Å; V746-D749 PolarHBondContact O-N 3.44Å; V746-W750 PolarHBondContact O-N 2.81Å; V746-W750 VanDerWaalsContact O-N 3.13Å
747	K	86.1	Confident	84.1	Confident	13 Å²	13	57.7 Å²	57.7	6%	0.057	28%	0.284	C	S	.	.	H	α-helix	trans	-42.7	-53.8	178.1	177.9	176.7	62.5	177.9	0	112.9	D710 L711 D713 A720 L740 M745 D749 W750 L751	D710-K747 VanDerWaalsContact OD1-CD 3.24Å; D710-K747 WeakPolarHBondContact OD1-CD 3.48Å; D710-K747 WeakPolarHBondContact OD1-CE 3.47Å; D710-K747 IonicContact OD1-NZ 3.6Å; D710-K747 PolarHBondContact OD1-NZ 3.17Å; D710-K747 VanDerWaalsContact OD1-NZ 3.12Å; L711-K747 PolarHBondContact O-NZ 3.18Å; D713-K747 IonicContact OD1-NZ 2.77Å; D713-K747 PolarHBondContact OD1-NZ 3.05Å; D713-K747 IonicContact OD2-NZ 2.74Å; D713-K747 PolarHBondContact OD2-NZ 3.43Å; A720-K747 WeakPolarHBondContact O-CD 3.29Å; L740-K747 HydrophobicContact CD1-CB 3.63Å; L740-K747 HydrophobicContact CD1-CG 3.88Å; M745-K747 PolarHBondContact O-N 2.87Å; K747-D749 VanDerWaalsContact C-N 3.25Å; K747-D749 PolarHBondContact O-N 3.37Å; K747-W750 WeakPolarHBondContact O-CB 3.25Å; K747-W750 PolarHBondContact O-N 3.33Å; K747-L751 HydrophobicContact CD-CD1 4.43Å; K747-L751 HydrophobicContact CG-CD1 3.88Å; K747-L751 HydrophobicContact CG-CG 4.28Å; K747-L751 WeakPolarHBondContact O-CG 3.43Å; K747-L751 PolarHBondContact O-N 2.79Å
748	R	86.3	Confident	84.1	Confident	108 Å²	108	57.7 Å²	57.7	41%	0.408	28%	0.283	S	S	.	.	H	α-helix	trans	-59.1	-31.1	-177.7	-170.1	-169.2	46.6	45.4	10.1	113.4	V746 R752	V746-R748 VanDerWaalsContact C-N 3.3Å; V746-R748 HydrophobicContact CG1-CB 4.26Å; V746-R748 PolarHBondContact O-N 2.98Å; R748-R752 WeakPolarHBondContact O-CB 3.36Å; R748-R752 WeakPolarHBondContact O-CD 3.48Å; R748-R752 WeakPolarHBondContact O-CG 3.38Å; R748-R752 PolarHBondContact O-N 3.33Å
749	D	88.2	Confident	84	Confident	60 Å²	60	57.7 Å²	57.7	32%	0.321	28%	0.284	S	S	.	.	H	α-helix	trans	-85.8	-32.2	179.8	-68	-56	0	0	0	112.4	V746 K747 R752 T753	V746-D749 HydrophobicContact CB-CB 4.45Å; V746-D749 PolarHBondContact O-N 3.44Å; K747-D749 VanDerWaalsContact C-N 3.25Å; K747-D749 PolarHBondContact O-N 3.37Å; D749-R752 IonicContact OD1-NH1 3.19Å; D749-T753 WeakPolarHBondContact O-CB 3.37Å; D749-T753 PolarHBondContact O-N 3.4Å; D749-T753 VanDerWaalsContact O-N 3.07Å; D749-T753 PolarHBondContact O-OG1 3.16Å
750	W	90.1	Very high	83.8	Confident	1 Å²	1	60.4 Å²	60.4	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-51.8	164.7	164.9	-114.2	0	0	0	111.6	H641 V643 L661 L663 F721 L740 M745 V746 K747 R752 T753 L754	H641-W750 HydrophobicContact CB-CE3 4.39Å; H641-W750 HydrophobicContact CB-CZ3 3.88Å; V643-W750 HydrophobicContact CB-CH2 4.33Å; V643-W750 HydrophobicContact CB-CZ2 4.5Å; V643-W750 HydrophobicContact CB-CZ3 4.43Å; V643-W750 HydrophobicContact CG2-CD2 3.95Å; V643-W750 HydrophobicContact CG2-CE3 3.52Å; V643-W750 HydrophobicContact CG2-CH2 3.82Å; V643-W750 HydrophobicContact CG2-CZ2 4.24Å; V643-W750 HydrophobicContact CG2-CZ3 3.45Å; V643-W750 VanDerWaalsContact CG2-CZ3 3.45Å; L661-W750 HydrophobicContact CB-CH2 4.43Å; L661-W750 HydrophobicContact CB-CZ2 4.43Å; L661-W750 HydrophobicContact CD1-CZ2 4.08Å; L663-W750 HydrophobicContact CB-CH2 3.9Å; L663-W750 HydrophobicContact CB-CZ3 3.95Å; L663-W750 HydrophobicContact CD2-CH2 4.37Å; L663-W750 HydrophobicContact CD2-CZ3 3.96Å; F721-W750 AromaticContact CE1-NE1 3.69Å; F721-W750 AromaticContact CE2-NE1 3.68Å; F721-W750 HydrophobicContact CZ-CZ2 4.49Å; F721-W750 AromaticContact CZ-NE1 3.32Å; F721-W750 VanDerWaalsContact CZ-NE1 3.32Å; L740-W750 HydrophobicContact CD2-CG 4.37Å; M745-W750 HydrophobicContact CG-CB 4.33Å; M745-W750 HydrophobicContact SD-CB 3.9Å; M745-W750 HydrophobicContact SD-CE3 4.21Å; M745-W750 HydrophobicContact SD-CG 4.47Å; V746-W750 PolarHBondContact O-N 2.81Å; V746-W750 VanDerWaalsContact O-N 3.13Å; K747-W750 WeakPolarHBondContact O-CB 3.25Å; K747-W750 PolarHBondContact O-N 3.33Å; W750-R752 PolarHBondContact O-N 2.9Å; W750-T753 PolarHBondContact O-N 2.83Å; W750-T753 VanDerWaalsContact O-N 3.08Å; W750-L754 HydrophobicContact CH2-CD1 4.24Å; W750-L754 HydrophobicContact CZ2-CD1 3.69Å; W750-L754 PolarHBondContact O-N 2.88Å
751	L	90.8	Very high	83.6	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-64.1	-41.5	-177.2	-63	-179	0	0	0	112.3	V708 D710 F721 K747 T753 L754 C755	V708-L751 HydrophobicContact CG1-CD2 3.75Å; D710-L751 HydrophobicContact CB-CD1 3.64Å; D710-L751 WeakPolarHBondContact OD2-CD1 3.4Å; F721-L751 HydrophobicContact CB-CD1 4.2Å; F721-L751 HydrophobicContact CB-CD2 3.75Å; F721-L751 HydrophobicContact CD2-CD2 3.76Å; F721-L751 HydrophobicContact CE2-CD2 4.49Å; F721-L751 HydrophobicContact CG-CD2 3.77Å; K747-L751 HydrophobicContact CD-CD1 4.43Å; K747-L751 HydrophobicContact CG-CD1 3.88Å; K747-L751 HydrophobicContact CG-CG 4.28Å; K747-L751 WeakPolarHBondContact O-CG 3.43Å; K747-L751 PolarHBondContact O-N 2.79Å; L751-T753 VanDerWaalsContact C-N 3.31Å; L751-T753 PolarHBondContact O-N 3.13Å; L751-L754 PolarHBondContact O-N 3.28Å; L751-C755 WeakPolarHBondContact O-CB 3.39Å; L751-C755 PolarHBondContact O-N 3.48Å; L751-C755 PolarHBondContact O-SG 3.45Å
752	R	90.1	Very high	83.7	Confident	110 Å²	110	61.5 Å²	61.5	42%	0.415	30%	0.304	S	S	.	.	H	α-helix	trans	-56.8	-43.4	170.2	-79.6	171.1	171	-171	-7.2	112.4	R748 D749 W750 R756 I771	R748-R752 WeakPolarHBondContact O-CB 3.36Å; R748-R752 WeakPolarHBondContact O-CD 3.48Å; R748-R752 WeakPolarHBondContact O-CG 3.38Å; R748-R752 PolarHBondContact O-N 3.33Å; D749-R752 IonicContact OD1-NH1 3.19Å; W750-R752 PolarHBondContact O-N 2.9Å; R752-R756 WeakPolarHBondContact O-CB 3.18Å; R752-R756 PolarHBondContact O-N 3.13Å; R752-I771 HydrophobicContact CG-CD1 4.5Å
753	T	90.4	Very high	84.3	Confident	22 Å²	22	64.8 Å²	64.8	14%	0.135	32%	0.317	C	S	.	.	H	α-helix	trans	-71.7	-39.1	-177.6	-57.5	0	0	0	0	111.8	V640 L663 D749 W750 L751 H757	V640-T753 HydrophobicContact CG1-CG2 3.91Å; L663-T753 HydrophobicContact CD2-CG2 4.45Å; D749-T753 WeakPolarHBondContact O-CB 3.37Å; D749-T753 PolarHBondContact O-N 3.4Å; D749-T753 VanDerWaalsContact O-N 3.07Å; D749-T753 PolarHBondContact O-OG1 3.16Å; W750-T753 PolarHBondContact O-N 2.83Å; W750-T753 VanDerWaalsContact O-N 3.08Å; L751-T753 VanDerWaalsContact C-N 3.31Å; L751-T753 PolarHBondContact O-N 3.13Å; T753-H757 PolarHBondContact O-N 3.2Å; T753-H757 PolarHBondContact O-ND1 2.75Å
754	L	91.9	Very high	85.2	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-48.8	173.2	-172	151.7	0	0	0	110.9	L663 I705 V708 L723 W750 L751 R756 H757 V758	L663-L754 HydrophobicContact CD2-CB 4.32Å; I705-L754 HydrophobicContact CD1-CD2 4.22Å; V708-L754 HydrophobicContact CG1-CD2 4.42Å; V708-L754 HydrophobicContact CG2-CD2 3.52Å; L723-L754 HydrophobicContact CD2-CD1 4.2Å; L723-L754 HydrophobicContact CD2-CD2 4.04Å; W750-L754 HydrophobicContact CH2-CD1 4.24Å; W750-L754 HydrophobicContact CZ2-CD1 3.69Å; W750-L754 PolarHBondContact O-N 2.88Å; L751-L754 PolarHBondContact O-N 3.28Å; L754-R756 VanDerWaalsContact C-N 3.33Å; L754-R756 PolarHBondContact O-N 2.91Å; L754-H757 PolarHBondContact O-N 3.05Å; L754-H757 VanDerWaalsContact O-N 3.17Å; L754-V758 HydrophobicContact CD2-CG2 3.95Å; L754-V758 WeakPolarHBondContact O-CG2 3.47Å; L754-V758 PolarHBondContact O-N 3.12Å
755	C	90.9	Very high	85.6	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.007	29%	0.292	C	S	.	.	H	α-helix	trans	-62.6	-38.1	178.9	-65.1	0	0	0	0	112.6	V708 L751 H757 V758 A759 A767 L770 I771	V708-C755 VanDerWaalsContact CB-SG 3.6Å; V708-C755 VanDerWaalsContact CG2-SG 3.5Å; L751-C755 WeakPolarHBondContact O-CB 3.39Å; L751-C755 PolarHBondContact O-N 3.48Å; L751-C755 PolarHBondContact O-SG 3.45Å; C755-H757 VanDerWaalsContact C-N 3.34Å; C755-H757 PolarHBondContact O-N 2.69Å; C755-V758 PolarHBondContact O-N 3.2Å; C755-A759 VanDerWaalsContact O-CB 3.24Å; C755-A759 WeakPolarHBondContact O-CB 2.92Å; C755-A759 PolarHBondContact O-N 2.96Å; C755-A767 WeakPolarHBondContact CB-O 3.45Å; C755-L770 HydrophobicContact CB-CB 4.23Å; C755-L770 HydrophobicContact CB-CD1 4.41Å; C755-I771 HydrophobicContact CB-CD1 4.41Å; C755-I771 HydrophobicContact CB-CG1 4.18Å; C755-I771 WeakPolarHBondContact SG-CG1 3.31Å
756	R	89.8	Confident	86	Confident	136 Å²	136	59.5 Å²	59.5	51%	0.513	31%	0.305	S	S	.	.	H	α-helix	trans	-59	-43.1	173.9	-170.4	-175.3	-60.6	156.7	3.2	112.1	R752 L754 N760	R752-R756 WeakPolarHBondContact O-CB 3.18Å; R752-R756 PolarHBondContact O-N 3.13Å; L754-R756 VanDerWaalsContact C-N 3.33Å; L754-R756 PolarHBondContact O-N 2.91Å; R756-N760 WeakPolarHBondContact O-CB 3.43Å; R756-N760 PolarHBondContact O-N 2.72Å; R756-N760 PolarHBondContact O-ND2 2.6Å; R756-N760 PolarHBondContact O-OD1 3.47Å
757	H	89.1	Confident	85.8	Confident	31 Å²	31	56.5 Å²	56.5	14%	0.144	29%	0.289	C	S	.	.	H	α-helix	trans	-74.9	-33.7	179.1	-70	89.7	0	0	0	112.7	V640 L702 T753 L754 C755 T761	V640-H757 VanDerWaalsContact CG1-CE1 3.47Å; V640-H757 WeakPolarHBondContact CG1-CE1 3.26Å; L702-H757 HydrophobicContact CD1-CB 3.72Å; T753-H757 PolarHBondContact O-N 3.2Å; T753-H757 PolarHBondContact O-ND1 2.75Å; L754-H757 PolarHBondContact O-N 3.05Å; L754-H757 VanDerWaalsContact O-N 3.17Å; C755-H757 VanDerWaalsContact C-N 3.34Å; C755-H757 PolarHBondContact O-N 2.69Å; H757-T761 WeakPolarHBondContact O-CB 3.43Å; H757-T761 PolarHBondContact O-N 3.24Å; H757-T761 PolarHBondContact O-OG1 2.77Å
758	V	89.8	Confident	85.2	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-60.9	-51.7	168.8	175.5	0	0	0	0	110.3	L702 I705 L754 C755 N760 T761 I762 L770	L702-V758 HydrophobicContact CB-CG2 4.07Å; L702-V758 HydrophobicContact CD2-CG2 4.08Å; L702-V758 HydrophobicContact CG-CG2 4.46Å; I705-V758 HydrophobicContact CB-CG1 4.42Å; I705-V758 HydrophobicContact CB-CG2 4.13Å; I705-V758 HydrophobicContact CD1-CG2 3.93Å; I705-V758 HydrophobicContact CG2-CG2 4.32Å; L754-V758 HydrophobicContact CD2-CG2 3.95Å; L754-V758 WeakPolarHBondContact O-CG2 3.47Å; L754-V758 PolarHBondContact O-N 3.12Å; C755-V758 PolarHBondContact O-N 3.2Å; V758-N760 PolarHBondContact O-N 3.24Å; V758-T761 WeakPolarHBondContact O-CB 3.01Å; V758-T761 PolarHBondContact O-N 3.11Å; V758-T761 VanDerWaalsContact O-N 3.09Å; V758-I762 HydrophobicContact CG1-CD1 4.48Å; V758-I762 WeakPolarHBondContact O-CG1 3.3Å; V758-I762 PolarHBondContact O-N 3.05Å; V758-L770 HydrophobicContact CB-CD1 3.98Å; V758-L770 HydrophobicContact CG1-CD1 3.74Å
759	A	87.1	Confident	84.7	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.008	33%	0.331	C	S	.	.	H	α-helix	trans	-56.4	-48.5	178.8	0	0	0	0	0	112.2	C755 T761 I762 C763 R764 A767 L770	C755-A759 VanDerWaalsContact O-CB 3.24Å; C755-A759 WeakPolarHBondContact O-CB 2.92Å; C755-A759 PolarHBondContact O-N 2.96Å; A759-T761 VanDerWaalsContact C-N 3.33Å; A759-T761 PolarHBondContact O-N 2.74Å; A759-I762 CarbonylContact O-C 3.48Å; A759-I762 WeakPolarHBondContact O-CG1 3.22Å; A759-I762 PolarHBondContact O-N 3Å; A759-C763 PolarHBondContact O-N 2.65Å; A759-R764 CarbonylContact C-O 3.57Å; A759-R764 PolarHBondContact O-N 3.28Å; A759-A767 HydrophobicContact CB-CB 3.7Å; A759-L770 HydrophobicContact CB-CD1 3.99Å
760	N	86.3	Confident	84.2	Confident	96 Å²	96	61.6 Å²	61.6	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-56.5	-45.2	173.5	-71.2	-12.3	0	0	0	111.8	R756 V758 I762 C763	R756-N760 WeakPolarHBondContact O-CB 3.43Å; R756-N760 PolarHBondContact O-N 2.72Å; R756-N760 PolarHBondContact O-ND2 2.6Å; R756-N760 PolarHBondContact O-OD1 3.47Å; V758-N760 PolarHBondContact O-N 3.24Å; N760-I762 PolarHBondContact O-N 2.64Å; N760-C763 PolarHBondContact O-N 2.77Å
761	T	85.9	Confident	83.9	Confident	45 Å²	45	64 Å²	64	28%	0.276	33%	0.333	S	S	.	.	H	α-helix	trans	-66.1	-35.2	-179.7	-57.2	0	0	0	0	112.5	N665 L702 H757 V758 A759 C763	N665-T761 PolarHBondContact O-OG1 2.75Å; L702-T761 HydrophobicContact CB-CG2 4.16Å; H757-T761 WeakPolarHBondContact O-CB 3.43Å; H757-T761 PolarHBondContact O-N 3.24Å; H757-T761 PolarHBondContact O-OG1 2.77Å; V758-T761 WeakPolarHBondContact O-CB 3.01Å; V758-T761 PolarHBondContact O-N 3.11Å; V758-T761 VanDerWaalsContact O-N 3.09Å; A759-T761 VanDerWaalsContact C-N 3.33Å; A759-T761 PolarHBondContact O-N 2.74Å; T761-C763 VanDerWaalsContact C-N 3.33Å
762	I	85.3	Confident	83.5	Confident	62 Å²	62	68 Å²	68	32%	0.318	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	8.2	176.4	71	-179.4	0	0	0	113.5	V758 A759 N760 R764 L770	V758-I762 HydrophobicContact CG1-CD1 4.48Å; V758-I762 WeakPolarHBondContact O-CG1 3.3Å; V758-I762 PolarHBondContact O-N 3.05Å; A759-I762 CarbonylContact O-C 3.48Å; A759-I762 WeakPolarHBondContact O-CG1 3.22Å; A759-I762 PolarHBondContact O-N 3Å; N760-I762 PolarHBondContact O-N 2.64Å; I762-R764 VanDerWaalsContact C-N 3.32Å; I762-R764 HydrophobicContact CD1-CB 4.42Å; I762-R764 HydrophobicContact CD1-CG 4.18Å; I762-R764 HydrophobicContact CG1-CB 4.13Å; I762-R764 HydrophobicContact CG1-CG 4.06Å; I762-R764 PolarHBondContact O-N 3.17Å; I762-L770 HydrophobicContact CD1-CD2 4.35Å
763	C	79.9	Confident	83	Confident	121 Å²	121	66.3 Å²	66.3	82%	0.818	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	40.5	-178.5	-61	0	0	0	0	114.3	A759 N760 T761	A759-C763 PolarHBondContact O-N 2.65Å; N760-C763 PolarHBondContact O-N 2.77Å; T761-C763 VanDerWaalsContact C-N 3.33Å
764	R	80.9	Confident	82.5	Confident	152 Å²	152	66.2 Å²	66.2	57%	0.574	36%	0.355	S	S	*	.			trans	-104.2	141.3	169.3	-75.7	-171.8	171.1	-121.2	-5.7	110.9	A759 I762	A759-R764 CarbonylContact C-O 3.57Å; A759-R764 PolarHBondContact O-N 3.28Å; I762-R764 VanDerWaalsContact C-N 3.32Å; I762-R764 HydrophobicContact CD1-CB 4.42Å; I762-R764 HydrophobicContact CD1-CG 4.18Å; I762-R764 HydrophobicContact CG1-CB 4.13Å; I762-R764 HydrophobicContact CG1-CG 4.06Å; I762-R764 PolarHBondContact O-N 3.17Å
765	A	68.3	Low	81.4	Confident	95 Å²	95	70.7 Å²	70.7	79%	0.785	38%	0.376	S	S	*	.	S	Bend	trans	-75.3	-44.1	174.6	0	0	0	0	0	111.5	A767	A765-A767 PolarHBondContact O-N 2.82Å
766	D	76.3	Confident	80	Confident	108 Å²	108	70.8 Å²	70.8	58%	0.578	38%	0.376	S	S	*	.			trans	-84.5	99	-172.6	-48.7	-71.2	0	0	0	110.8
767	A	77.9	Confident	78.4	Confident	23 Å²	23	70.4 Å²	70.4	19%	0.19	39%	0.385	C	S	.	.			trans	-82.1	-15.6	178.8	0	0	0	0	0	113.6	C755 A759 A765	C755-A767 WeakPolarHBondContact CB-O 3.45Å; A759-A767 HydrophobicContact CB-CB 3.7Å; A765-A767 PolarHBondContact O-N 2.82Å
768	E	74.3	Confident	77	Confident	145 Å²	145	72.8 Å²	72.8	68%	0.678	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-78	-31	-175.7	-55.3	-159.4	142.2	0	0	112.1	L770 I771	E768-L770 PolarHBondContact O-N 3.36Å; E768-I771 PolarHBondContact O-N 3.04Å
769	D	75.6	Confident	75.6	Confident	124 Å²	124	75 Å²	75	66%	0.663	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-53.3	-18.9	170	-83.8	13.7	0	0	0	114.5
770	L	78	Confident	74.1	Confident	19 Å²	19	83.6 Å²	83.6	10%	0.099	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-86	-16.8	-179.8	-61.1	175.5	0	0	0	113.2	V708 C755 V758 A759 I762 E768	V708-L770 PolarHBondContact N-O 3.41Å; C755-L770 HydrophobicContact CB-CB 4.23Å; C755-L770 HydrophobicContact CB-CD1 4.41Å; V758-L770 HydrophobicContact CB-CD1 3.98Å; V758-L770 HydrophobicContact CG1-CD1 3.74Å; A759-L770 HydrophobicContact CB-CD1 3.99Å; I762-L770 HydrophobicContact CD1-CD2 4.35Å; E768-L770 PolarHBondContact O-N 3.36Å
771	I	83.9	Confident	72.9	Confident	52 Å²	52	79.5 Å²	79.5	27%	0.267	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.3	-179.2	-59.2	176.7	0	0	0	109.5	V708 D710 R752 C755 E768	V708-I771 CarbonylContact O-C 3.55Å; V708-I771 WeakPolarHBondContact O-CA 3.42Å; D710-I771 HydrophobicContact CB-CG2 4.39Å; R752-I771 HydrophobicContact CG-CD1 4.5Å; C755-I771 HydrophobicContact CB-CD1 4.41Å; C755-I771 HydrophobicContact CB-CG1 4.18Å; C755-I771 WeakPolarHBondContact SG-CG1 3.31Å; E768-I771 PolarHBondContact O-N 3.04Å
772	Q	82.5	Confident	71.3	Confident	83 Å²	83	79.5 Å²	79.5	39%	0.388	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	107.9	173.9	-176	-176.3	-13.9	0	0	111.1	V708 L709 D710 T774	V708-Q772 PolarHBondContact O-N 3.2Å; L709-Q772 WeakPolarHBondContact CA-O 3.39Å; L709-Q772 HydrophobicContact CD2-CB 3.91Å; L709-Q772 HydrophobicContact CD2-CG 4.46Å; D710-Q772 PolarHBondContact N-O 3.29Å; Q772-T774 PolarHBondContact O-N 2.87Å; Q772-T774 PolarHBondContact O-OG1 3.38Å; Q772-T774 VanDerWaalsContact O-OG1 3.06Å
773	C	79.7	Confident	70.1	Confident	75 Å²	75	77.9 Å²	77.9	51%	0.507	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	130.8	173.5	-53.5	0	0	0	0	110.7	D710	D710-C773 CarbonylContact O-C 3.53Å; D710-C773 WeakPolarHBondContact O-CA 3.09Å
774	T	78.7	Confident	68.8	Low	20 Å²	20	78.8 Å²	78.8	12%	0.123	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	145.4	-169.9	-52.2	0	0	0	0	111.1	D710 L711 H712 Q772 S778 L779	D710-T774 PolarHBondContact O-N 2.68Å; L711-T774 WeakPolarHBondContact CA-O 3.01Å; H712-T774 PolarHBondContact N-O 3.22Å; Q772-T774 PolarHBondContact O-N 2.87Å; Q772-T774 PolarHBondContact O-OG1 3.38Å; Q772-T774 VanDerWaalsContact O-OG1 3.06Å; T774-S778 WeakPolarHBondContact CG2-OG 3.37Å; T774-L779 HydrophobicContact CG2-CD1 4.05Å; T774-L779 HydrophobicContact CG2-CG 4.25Å
775	E	68.6	Low	67.4	Low	95 Å²	95	74.7 Å²	74.7	44%	0.444	41%	0.407	S	S	.	.			trans	-77.7	136.1	174.7	-62.1	-52	143.5	0	0	112.1	H712 D777 S778	H712-E775 IonicContact CE1-OE1 3.55Å; H712-E775 PolarHBondContact CE1-OE1 3.25Å; H712-E775 IonicContact CG-OE1 2.61Å; H712-E775 IonicContact ND1-OE1 2.74Å; H712-E775 PolarHBondContact ND1-OE1 3.22Å; H712-E775 IonicContact ND1-OE2 3.01Å; E775-D777 VanDerWaalsContact C-N 3.31Å; E775-D777 PolarHBondContact O-N 2.87Å; E775-S778 WeakPolarHBondContact O-CB 3.42Å; E775-S778 PolarHBondContact O-N 3.01Å; E775-S778 PolarHBondContact O-OG 2.79Å
776	P	62.8	Low	66.8	Low	2 Å²	2	71.6 Å²	71.6	1%	0.013	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-62.3	-33.8	-175.5	24	-33.5	0	0	0	113.7	T714 C717 S778 L779 Q780 V781	T714-P776 HydrophobicContact CG2-CG 3.99Å; C717-P776 HydrophobicContact CB-CB 4.2Å; C717-P776 HydrophobicContact CB-CG 4.22Å; P776-S778 VanDerWaalsContact C-N 3.26Å; P776-S778 PolarHBondContact O-N 3.27Å; P776-L779 PolarHBondContact O-N 3.25Å; P776-L779 VanDerWaalsContact O-N 3.13Å; P776-Q780 PolarHBondContact O-N 3.11Å; P776-V781 PolarHBondContact O-N 2.99Å
777	D	55.8	Low	65.3	Low	129 Å²	129	72.5 Å²	72.5	69%	0.69	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-61.8	-33.6	179.1	-67.9	-22.2	0	0	0	112.5	E775 L779 Q780	E775-D777 VanDerWaalsContact C-N 3.31Å; E775-D777 PolarHBondContact O-N 2.87Å; D777-L779 PolarHBondContact O-N 3.39Å; D777-L779 VanDerWaalsContact O-N 3.14Å; D777-Q780 PolarHBondContact O-N 3.37Å
778	S	59.1	Low	64.2	Low	81 Å²	81	74 Å²	74	57%	0.566	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-66.4	-15.1	179.2	73	0	0	0	0	113.7	T774 E775 P776	T774-S778 WeakPolarHBondContact CG2-OG 3.37Å; E775-S778 WeakPolarHBondContact O-CB 3.42Å; E775-S778 PolarHBondContact O-N 3.01Å; E775-S778 PolarHBondContact O-OG 2.79Å; P776-S778 VanDerWaalsContact C-N 3.26Å; P776-S778 PolarHBondContact O-N 3.27Å
779	L	59.9	Low	63	Low	47 Å²	47	72.7 Å²	72.7	25%	0.246	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-113	1.8	-178.4	-58.5	174.7	0	0	0	112.9	L709 L711 L735 T774 P776 D777 V781	L709-L779 HydrophobicContact CD1-CD1 3.79Å; L709-L779 HydrophobicContact CD1-CD2 4.39Å; L711-L779 HydrophobicContact CD2-CD1 3.62Å; L735-L779 HydrophobicContact CD2-CB 4.18Å; L735-L779 HydrophobicContact CD2-CD1 4.45Å; L735-L779 HydrophobicContact CD2-CD2 4.07Å; L735-L779 HydrophobicContact CD2-CG 4.47Å; T774-L779 HydrophobicContact CG2-CD1 4.05Å; T774-L779 HydrophobicContact CG2-CG 4.25Å; P776-L779 PolarHBondContact O-N 3.25Å; P776-L779 VanDerWaalsContact O-N 3.13Å; D777-L779 PolarHBondContact O-N 3.39Å; D777-L779 VanDerWaalsContact O-N 3.14Å; L779-V781 HydrophobicContact CB-CG2 3.75Å; L779-V781 PolarHBondContact O-N 2.96Å
780	Q	57.5	Low	61.6	Low	182 Å²	182	73.1 Å²	73.1	85%	0.85	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	28.2	-173.5	-51.8	-178.5	15.9	0	0	114	P776 D777	P776-Q780 PolarHBondContact O-N 3.11Å; D777-Q780 PolarHBondContact O-N 3.37Å
781	V	60	Low	60.3	Low	9 Å²	9	73 Å²	73	6%	0.055	40%	0.396	C	S	.	.			trans	-98.7	92.6	-174.7	-177.1	0	0	0	0	110.9	L648 L711 P776 L779	L648-V781 HydrophobicContact CB-CG1 3.67Å; L648-V781 HydrophobicContact CD1-CG1 3.54Å; L648-V781 HydrophobicContact CG-CG1 4.25Å; L711-V781 HydrophobicContact CD1-CG1 4.47Å; P776-V781 PolarHBondContact O-N 2.99Å; L779-V781 HydrophobicContact CB-CG2 3.75Å; L779-V781 PolarHBondContact O-N 2.96Å
782	T	53	Low	58.9	Low	45 Å²	45	75.7 Å²	75.7	28%	0.276	41%	0.405	S	S	.	.			trans	-106.6	145.2	177.6	62.9	0	0	0	0	112.3	R655	R655-T782 PolarHBondContact NH2-O 3.36Å; R655-T782 PolarHBondContact NH2-OG1 3.18Å
783	T	58.9	Low	57.2	Low	28 Å²	28	74 Å²	74	17%	0.172	41%	0.406	C	S	.	.	S	Bend	trans	-96.3	-23.1	174.4	75.7	0	0	0	0	114	L648 E716 C717 D785 M786	L648-T783 HydrophobicContact CD2-CG2 4.23Å; E716-T783 WeakPolarHBondContact O-CB 3.47Å; E716-T783 WeakPolarHBondContact O-CG2 3.4Å; E716-T783 PolarHBondContact O-N 3.28Å; E716-T783 PolarHBondContact O-OG1 3.3Å; C717-T783 HydrophobicContact CB-CG2 4.31Å; T783-D785 PolarHBondContact O-N 3.16Å; T783-M786 VanDerWaalsContact O-CB 3.32Å; T783-M786 WeakPolarHBondContact O-CB 3.22Å; T783-M786 WeakPolarHBondContact O-CG 3.36Å; T783-M786 PolarHBondContact O-N 2.96Å
784	K	53.3	Low	55.9	Low	140 Å²	140	73.3 Å²	73.3	61%	0.609	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.6	-36.8	-175.8	-86.9	-176.7	175.1	154.2	0	115.7	E716 M786	E716-K784 WeakPolarHBondContact OE1-CE 3.47Å; E716-K784 IonicContact OE1-NZ 2.62Å; E716-K784 PolarHBondContact OE1-NZ 3.32Å; E716-K784 WeakPolarHBondContact OE2-CD 3.26Å; E716-K784 WeakPolarHBondContact OE2-CE 3.09Å; E716-K784 IonicContact OE2-NZ 2.74Å; E716-K784 PolarHBondContact OE2-NZ 3.44Å; K784-M786 PolarHBondContact O-N 3.39Å
785	D	52	Low	54.9	Low	67 Å²	67	75.3 Å²	75.3	36%	0.358	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-13.4	-178.4	-63.2	-45.2	0	0	0	114.1	R655 T783 D787 S791	R655-D785 IonicContact CZ-OD2 2.86Å; R655-D785 VanDerWaalsContact CZ-OD2 3.25Å; R655-D785 IonicContact NH1-OD2 3.3Å; R655-D785 PolarHBondContact NH1-OD2 3.48Å; R655-D785 IonicContact NH2-OD2 2.7Å; R655-D785 PolarHBondContact NH2-OD2 3.04Å; T783-D785 PolarHBondContact O-N 3.16Å; D785-D787 PolarHBondContact O-N 3.24Å; D785-S791 WeakPolarHBondContact O-CB 3.47Å; D785-S791 PolarHBondContact O-OG 3.2Å
786	M	56.1	Low	54.1	Low	29 Å²	29	73.5 Å²	73.5	14%	0.143	41%	0.408	C	S	.	.	S	Bend	trans	-67.9	-39.2	-162.3	-81.8	-141.3	37.9	0	0	115.2	I646 L648 T783 K784	I646-M786 HydrophobicContact CD1-CE 4.26Å; I646-M786 HydrophobicContact CG2-CE 3.51Å; I646-M786 HydrophobicContact CG2-SD 3.42Å; I646-M786 WeakPolarHBondContact CG2-SD 3.25Å; L648-M786 HydrophobicContact CD2-SD 4.19Å; T783-M786 VanDerWaalsContact O-CB 3.32Å; T783-M786 WeakPolarHBondContact O-CB 3.22Å; T783-M786 WeakPolarHBondContact O-CG 3.36Å; T783-M786 PolarHBondContact O-N 2.96Å; K784-M786 PolarHBondContact O-N 3.39Å
787	D	44.8	Very low	53.7	Low	128 Å²	128	78.9 Å²	78.9	68%	0.684	44%	0.436	S	S	*	.	S	Bend	trans	-94.1	-11	-177	-97.6	-53.5	0	0	0	115.2	D785 T789 K792	D785-D787 PolarHBondContact O-N 3.24Å; D787-T789 PolarHBondContact O-N 3.15Å; D787-K792 WeakPolarHBondContact O-CE 3.31Å; D787-K792 PolarHBondContact O-NZ 3.21Å; D787-K792 IonicContact OD1-NZ 2.77Å; D787-K792 PolarHBondContact OD1-NZ 3.23Å
788	S	53.4	Low	53.7	Low	53 Å²	53	77.2 Å²	77.2	37%	0.371	42%	0.422	S	S	.	.			trans	-56.2	130.9	178.8	177.8	0	0	0	0	112.3	L790 S791 K792	S788-L790 PolarHBondContact O-N 3.43Å; S788-L790 VanDerWaalsContact O-N 3.17Å; S788-L790 WeakPolarHBondContact OG-CB 3.36Å; S788-L790 PolarHBondContact OG-N 3.13Å; S788-S791 WeakPolarHBondContact O-CB 3.4Å; S788-S791 PolarHBondContact O-N 3.14Å; S788-K792 PolarHBondContact O-N 3.3Å
789	T	48.9	Very low	53.5	Low	119 Å²	119	76.7 Å²	76.7	73%	0.73	41%	0.41	S	S	*	.	H	α-helix	trans	-54.1	-32.8	171.8	-49	0	0	0	0	111.6	D787 K792 A793	D787-T789 PolarHBondContact O-N 3.15Å; T789-K792 PolarHBondContact O-N 2.65Å; T789-A793 PolarHBondContact O-N 3.29Å
790	L	47.2	Very low	53	Low	133 Å²	133	78.5 Å²	78.5	70%	0.696	42%	0.423	S	S	*	.	H	α-helix	trans	-67.9	-37.5	178	-135.4	166.6	0	0	0	111.5	S788 A793 S794	S788-L790 PolarHBondContact O-N 3.43Å; S788-L790 VanDerWaalsContact O-N 3.17Å; S788-L790 WeakPolarHBondContact OG-CB 3.36Å; S788-L790 PolarHBondContact OG-N 3.13Å; L790-A793 PolarHBondContact O-N 3.26Å; L790-S794 PolarHBondContact O-N 3.41Å
791	S	50.8	Low	52.4	Low	17 Å²	17	72.9 Å²	72.9	12%	0.119	40%	0.404	C	S	.	.	H	α-helix	trans	-71.8	-35.4	173.8	-59	0	0	0	0	112.8	D785 S788 A793 S794 R795	D785-S791 WeakPolarHBondContact O-CB 3.47Å; D785-S791 PolarHBondContact O-OG 3.2Å; S788-S791 WeakPolarHBondContact O-CB 3.4Å; S788-S791 PolarHBondContact O-N 3.14Å; S791-A793 VanDerWaalsContact C-N 3.29Å; S791-A793 PolarHBondContact O-N 3.23Å; S791-S794 WeakPolarHBondContact CA-OG 3.38Å; S791-S794 PolarHBondContact O-N 3.07Å; S791-S794 PolarHBondContact O-OG 3.4Å; S791-R795 WeakPolarHBondContact O-CB 3.45Å; S791-R795 WeakPolarHBondContact O-CG 3.47Å; S791-R795 PolarHBondContact O-N 3.05Å
792	K	53.7	Low	51.8	Low	107 Å²	107	78.4 Å²	78.4	47%	0.465	43%	0.427	S	S	.	.	H	α-helix	trans	-63.2	-37.8	172.5	-71.3	159.3	-178.7	162.5	0	110.4	D787 S788 T789	D787-K792 WeakPolarHBondContact O-CE 3.31Å; D787-K792 PolarHBondContact O-NZ 3.21Å; D787-K792 IonicContact OD1-NZ 2.77Å; D787-K792 PolarHBondContact OD1-NZ 3.23Å; S788-K792 PolarHBondContact O-N 3.3Å; T789-K792 PolarHBondContact O-N 2.65Å
793	A	47.5	Very low	51.4	Low	49 Å²	49	84.4 Å²	84.4	41%	0.405	45%	0.449	S	S	.	.	H	α-helix	trans	-70.7	-45.4	172	0	0	0	0	0	113.7	T789 L790 S791 R795 A796 I797	T789-A793 PolarHBondContact O-N 3.29Å; L790-A793 PolarHBondContact O-N 3.26Å; S791-A793 VanDerWaalsContact C-N 3.29Å; S791-A793 PolarHBondContact O-N 3.23Å; A793-R795 VanDerWaalsContact C-N 3.34Å; A793-R795 PolarHBondContact O-N 3.18Å; A793-A796 WeakPolarHBondContact O-CB 3.46Å; A793-A796 PolarHBondContact O-N 3.48Å; A793-I797 WeakPolarHBondContact O-CG1 3.44Å; A793-I797 PolarHBondContact O-N 3.37Å; A793-I797 VanDerWaalsContact O-N 3.09Å
794	S	51.6	Low	50.4	Low	60 Å²	60	86.9 Å²	86.9	42%	0.42	46%	0.464	S	S	.	.	H	α-helix	trans	-64.4	-37.2	-178.1	73.3	0	0	0	0	112.4	L790 S791 A796 I797 K798	L790-S794 PolarHBondContact O-N 3.41Å; S791-S794 WeakPolarHBondContact CA-OG 3.38Å; S791-S794 PolarHBondContact O-N 3.07Å; S791-S794 PolarHBondContact O-OG 3.4Å; S794-A796 VanDerWaalsContact C-N 3.31Å; S794-A796 PolarHBondContact O-N 3Å; S794-I797 PolarHBondContact O-N 3.36Å; S794-K798 WeakPolarHBondContact O-CB 3.43Å; S794-K798 PolarHBondContact O-N 3.25Å
795	R	57.6	Low	49.7	Very low	61 Å²	61	85 Å²	85	23%	0.23	47%	0.465	C	S	.	.	H	α-helix	trans	-60.2	-37.6	171.5	-70.5	174.3	-161.8	-169.3	7.5	112.4	R655 G656 S791 A793 K799	R655-R795 PolarHBondContact O-NE 3.42Å; R655-R795 VanDerWaalsContact O-NE 3.11Å; R655-R795 PolarHBondContact O-NH1 2.86Å; G656-R795 PolarHBondContact O-NH1 2.67Å; S791-R795 WeakPolarHBondContact O-CB 3.45Å; S791-R795 WeakPolarHBondContact O-CG 3.47Å; S791-R795 PolarHBondContact O-N 3.05Å; A793-R795 VanDerWaalsContact C-N 3.34Å; A793-R795 PolarHBondContact O-N 3.18Å; R795-K799 WeakPolarHBondContact O-CB 3.4Å; R795-K799 VanDerWaalsContact O-CG 3.31Å; R795-K799 WeakPolarHBondContact O-CG 3.32Å; R795-K799 PolarHBondContact O-N 3.48Å
796	A	51.6	Low	49.3	Very low	57 Å²	57	93 Å²	93	47%	0.471	49%	0.49	S	S	.	.	H	α-helix	trans	-66.7	-43.1	175.4	0	0	0	0	0	111.8	A793 S794 K799 T800	A793-A796 WeakPolarHBondContact O-CB 3.46Å; A793-A796 PolarHBondContact O-N 3.48Å; S794-A796 VanDerWaalsContact C-N 3.31Å; S794-A796 PolarHBondContact O-N 3Å; A796-K799 PolarHBondContact O-N 3.02Å; A796-T800 PolarHBondContact O-N 2.92Å
797	I	54.4	Low	48.5	Very low	116 Å²	116	94.5 Å²	94.5	60%	0.595	51%	0.507	S	S	*	.	H	α-helix	trans	-68.5	-41.8	-180	-62.6	165.7	0	0	0	111.7	A793 S794 K799 T800 S801	A793-I797 WeakPolarHBondContact O-CG1 3.44Å; A793-I797 PolarHBondContact O-N 3.37Å; A793-I797 VanDerWaalsContact O-N 3.09Å; S794-I797 PolarHBondContact O-N 3.36Å; I797-K799 PolarHBondContact O-N 2.7Å; I797-T800 PolarHBondContact O-N 3.21Å; I797-T800 PolarHBondContact O-OG1 3.04Å; I797-S801 WeakPolarHBondContact O-CB 3.42Å; I797-S801 PolarHBondContact O-N 3.1Å
798	K	56	Low	48.1	Very low	93 Å²	93	96.9 Å²	96.9	40%	0.404	51%	0.511	S	S	.	.	H	α-helix	trans	-61.7	-31.7	174.6	-156.7	174.8	-176.8	-178.1	0	111.3	D650 S794 K802	D650-K798 IonicContact OD1-NZ 3.58Å; D650-K798 PolarHBondContact OD1-NZ 2.93Å; D650-K798 IonicContact OD2-NZ 3.71Å; D650-K798 PolarHBondContact OD2-NZ 2.84Å; S794-K798 WeakPolarHBondContact O-CB 3.43Å; S794-K798 PolarHBondContact O-N 3.25Å; K798-K802 PolarHBondContact O-N 2.76Å
799	K	55.2	Low	47.2	Very low	70 Å²	70	99.2 Å²	99.2	30%	0.304	53%	0.528	S	S	.	.	H	α-helix	trans	-81.4	-30.8	177.3	-75.6	174	174.3	176	0	114.7	D654 E657 R795 A796 I797	D654-K799 WeakPolarHBondContact OD2-CE 3.38Å; D654-K799 IonicContact OD2-NZ 2.75Å; E657-K799 IonicContact OE1-NZ 3.82Å; E657-K799 PolarHBondContact OE1-NZ 3.05Å; R795-K799 WeakPolarHBondContact O-CB 3.4Å; R795-K799 VanDerWaalsContact O-CG 3.31Å; R795-K799 WeakPolarHBondContact O-CG 3.32Å; R795-K799 PolarHBondContact O-N 3.48Å; A796-K799 PolarHBondContact O-N 3.02Å; I797-K799 PolarHBondContact O-N 2.7Å
800	T	49.3	Very low	46.5	Very low	86 Å²	86	102.7 Å²	102.7	53%	0.528	53%	0.533	S	S	.	.	H	α-helix	trans	-70.7	-41.5	168.5	53.4	0	0	0	0	110.8	A796 I797 K803 V804	A796-T800 PolarHBondContact O-N 2.92Å; I797-T800 PolarHBondContact O-N 3.21Å; I797-T800 PolarHBondContact O-OG1 3.04Å; T800-K803 WeakPolarHBondContact O-CB 3.47Å; T800-K803 PolarHBondContact O-N 3.06Å; T800-K803 VanDerWaalsContact O-N 3.1Å; T800-V804 WeakPolarHBondContact O-CG2 3.44Å; T800-V804 PolarHBondContact O-N 2.98Å
801	S	45	Very low	45.7	Very low	64 Å²	64	103 Å²	103	45%	0.448	54%	0.541	S	S	.	.	H	α-helix	trans	-52.2	-58.2	173.9	177.2	0	0	0	0	112.5	I797 K803 V804 T805	I797-S801 WeakPolarHBondContact O-CB 3.42Å; I797-S801 PolarHBondContact O-N 3.1Å; S801-K803 PolarHBondContact O-N 3.02Å; S801-V804 PolarHBondContact O-N 3Å; S801-T805 PolarHBondContact O-N 2.96Å; S801-T805 PolarHBondContact O-OG1 3.33Å; S801-T805 VanDerWaalsContact O-OG1 3.06Å
802	K	47.1	Very low	44.8	Very low	124 Å²	124	112.1 Å²	112.1	54%	0.539	58%	0.578	S	S	.	*	H	α-helix	trans	-54.3	-26.9	177.4	-76.2	-179.7	178.9	177	0	113.7	D654 K798	D654-K802 IonicContact OD1-NZ 2.82Å; D654-K802 PolarHBondContact OD1-NZ 2.84Å; K798-K802 PolarHBondContact O-N 2.76Å
803	K	45.1	Very low	44	Very low	171 Å²	171	113.4 Å²	113.4	74%	0.743	60%	0.595	S	S	*	*	H	α-helix	trans	-77.9	-39.8	173.6	-97.5	-174.8	175	-178.9	0	113.1	T800 S801	T800-K803 WeakPolarHBondContact O-CB 3.47Å; T800-K803 PolarHBondContact O-N 3.06Å; T800-K803 VanDerWaalsContact O-N 3.1Å; S801-K803 PolarHBondContact O-N 3.02Å
804	V	37.4	Very low	43.1	Very low	81 Å²	81	117.2 Å²	117.2	49%	0.491	62%	0.616	S	S	.	*	H	α-helix	trans	-74.1	-34.4	-177.7	175.6	0	0	0	0	111.7	T800 S801 R806 A807 F808	T800-V804 WeakPolarHBondContact O-CG2 3.44Å; T800-V804 PolarHBondContact O-N 2.98Å; S801-V804 PolarHBondContact O-N 3Å; V804-R806 PolarHBondContact O-N 2.88Å; V804-A807 WeakPolarHBondContact O-CB 3.38Å; V804-A807 PolarHBondContact O-N 3.24Å; V804-F808 HydrophobicContact CG1-CD2 3.96Å; V804-F808 HydrophobicContact CG1-CE2 4.28Å; V804-F808 PolarHBondContact O-N 3.49Å
805	T	39.5	Very low	42.2	Very low	101 Å²	101	124 Å²	124	62%	0.62	64%	0.638	S	S	*	*	H	α-helix	trans	-59.3	-32	176	-40.1	0	0	0	0	112.6	S801 A807	S801-T805 PolarHBondContact O-N 2.96Å; S801-T805 PolarHBondContact O-OG1 3.33Å; S801-T805 VanDerWaalsContact O-OG1 3.06Å; T805-A807 VanDerWaalsContact C-N 3.3Å; T805-A807 PolarHBondContact O-N 3.09Å
806	R	43.1	Very low	41	Very low	235 Å²	235	132.9 Å²	132.9	89%	0.887	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-14	175	-169.2	172.4	177.3	-169.6	-1.1	113.6	V804	V804-R806 PolarHBondContact O-N 2.88Å
807	A	38.8	Very low	39.9	Very low	60 Å²	60	136.8 Å²	136.8	50%	0.496	69%	0.689	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.3	-17.8	-178.5	0	0	0	0	0	114.1	V804 T805	V804-A807 WeakPolarHBondContact O-CB 3.38Å; V804-A807 PolarHBondContact O-N 3.24Å; T805-A807 VanDerWaalsContact C-N 3.3Å; T805-A807 PolarHBondContact O-N 3.09Å
808	F	37.6	Very low	38.7	Very low	177 Å²	177	138.2 Å²	138.2	78%	0.776	70%	0.697	S	S	*	*	S	Bend	trans	-125.8	45.7	-172.3	-73.4	-78.5	0	0	0	114.1	V804	V804-F808 HydrophobicContact CG1-CD2 3.96Å; V804-F808 HydrophobicContact CG1-CE2 4.28Å; V804-F808 PolarHBondContact O-N 3.49Å
809	S	32.9	Very low	37.4	Very low	103 Å²	103	141.9 Å²	141.9	72%	0.72	72%	0.716	S	S	*	*			trans	-130.4	82.2	166.8	-164.3	0	0	0	0	111.6
810	F	34.1	Very low	36.2	Very low	191 Å²	191	150.4 Å²	150.4	84%	0.838	75%	0.746	S	S	*	*			trans	-136.1	109.6	168.6	-84.8	-75.1	0	0	0	109.9
811	T	31.6	Very low	35.2	Very low	139 Å²	139	150 Å²	150	85%	0.853	75%	0.751	S	S	*	*			trans	-178.1	109.1	137.5	19.4	0	0	0	0	111.7
812	K	32.7	Very low	34.3	Very low	210 Å²	210	156 Å²	156	91%	0.913	77%	0.77	S	S	*	*				174.6	87	126.5	-95.7	165.3	-177.6	173.8	0	111.2
813	T	35.5	Very low	33.5	Very low	133 Å²	133	156.5 Å²	156.5	82%	0.816	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-78	141.9	148.7	41.2	0	0	0	0	108.9
814	P	29.7	Very low	32.8	Very low	129 Å²	129	152.4 Å²	152.4	84%	0.838	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-73.6	143.4	176.7	29.4	-33.3	0	0	0	111.4
815	K	31.5	Very low	32.3	Very low	203 Å²	203	154.8 Å²	154.8	88%	0.883	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-82.4	142.8	-176.4	-64.8	-179.8	177.4	-178.8	0	112.7
816	R	33	Very low	31.7	Very low	248 Å²	248	156.8 Å²	156.8	94%	0.936	80%	0.798	S	S	*	*				-169.3	113.3	129.6	-106.2	169.2	-170.7	179.5	3.9	111.5
817	V	29.2	Very low	30.9	Very low	139 Å²	139	151.7 Å²	151.7	84%	0.842	79%	0.793	S	S	*	*	S	Bend		-165.5	143.5	120.9	146.2	0	0	0	0	108.6
818	L	29.2	Very low	31.4	Very low	146 Å²	146	153.7 Å²	153.7	76%	0.764	80%	0.801	S	S	*	*			trans	-35.6	127	-177.3	-61.5	154.1	0	0	0	115.3
819	Q	27.1	Very low	31.1	Very low	170 Å²	170	151.9 Å²	151.9	79%	0.794	80%	0.799	S	S	*	*				54.4	99	69.9	-169	-175.8	8.5	0	0	114.6
820	R	30	Very low	30.8	Very low	248 Å²	248	153.2 Å²	153.2	94%	0.936	79%	0.794	S	S	*	*			trans	-142.1	138.5	133	-115.3	178.3	-170.7	167.9	4.6	109
821	A	29.2	Very low	30.5	Very low	78 Å²	78	151.4 Å²	151.4	65%	0.645	79%	0.786	S	S	*	*			trans	-108	163.6	175.8	0	0	0	0	0	109.6
822	F	25.4	Very low	30.2	Very low	191 Å²	191	149.6 Å²	149.6	84%	0.838	78%	0.779	S	S	*	*			trans	-178.1	110	137.5	-90.1	-68.3	0	0	0	104.1
823	L	31.8	Very low	29.9	Very low	133 Å²	133	147.4 Å²	147.4	70%	0.696	77%	0.772	S	S	*	*				59.3	141	90.4	-67.3	176.9	0	0	0	113.3
824	A	30.3	Very low	29.3	Very low	85 Å²	85	150.8 Å²	150.8	70%	0.702	77%	0.77	S	S	*	*			cis	-138	140.9	15.4	0	0	0	0	0	111.3
825	N	27.2	Very low	29	Very low	131 Å²	131	152.3 Å²	152.3	70%	0.701	77%	0.77	S	S	*	*				59.6	119	93.9	-57.3	-0.5	0	0	0	116.7
826	T	25.4	Very low	28.6	Very low	144 Å²	144	147.9 Å²	147.9	88%	0.883	76%	0.764	S	S	*	*				-142.3	151.9	126.9	41.9	0	0	0	0	110
827	T	26.2	Very low	28.2	Very low	128 Å²	128	141.9 Å²	141.9	79%	0.785	76%	0.759	S	S	*	*			trans	-148.3	-177.8	-177.5	57.6	0	0	0	0	107.4
828	P	50.8	Low	27.9	Very low	101 Å²	101	143.3 Å²	143.3	66%	0.656	76%	0.757	S	S	*	*			cis	-131.4	-172.1	-14	32.3	-10.6	0	0	0	114.4
829	D	29.8	Very low	27.9	Very low	140 Å²	140	142.3 Å²	142.3	75%	0.749	75%	0.752	S	S	*	*			trans	71.6	159.2	143	-86.4	-42.6	0	0	0	122.3
830	E	26.4	Very low	27.8	Very low	130 Å²	130	144.8 Å²	144.8	61%	0.607	75%	0.754	S	S	*	*			cis	-144.2	153.8	8.9	-135.4	-161.4	-162.4	0	0	115.7
831	K	27.7	Very low	27.9	Very low	154 Å²	154	139.2 Å²	139.2	67%	0.67	75%	0.748	S	S	*	*			trans	38.1	124	151.2	-75.5	176.5	-157.8	136.6	0	123.2
832	S	26.8	Very low	27.8	Very low	100 Å²	100	141.3 Å²	141.3	70%	0.699	76%	0.756	S	S	*	*				167.7	126.4	96.4	-79.2	0	0	0	0	116.8
833	Q	25.3	Very low	28.1	Very low	164 Å²	164	137.3 Å²	137.3	77%	0.766	75%	0.752	S	S	*	*			trans	56.7	144.9	146.8	-59.8	-167.9	33.9	0	0	120.1
834	R	23.8	Very low	28.2	Very low	204 Å²	204	136.6 Å²	136.6	77%	0.77	76%	0.758	S	S	*	*			cis	-154.1	137.4	13.4	-133.8	175.5	-162.7	-157.3	0.8	111.7
835	L	23.8	Very low	28.5	Very low	161 Å²	161	137.5 Å²	137.5	84%	0.843	76%	0.759	S	S	*	*			trans	54.5	123	152	-65.2	165.1	0	0	0	122
836	S	23.1	Very low	28.7	Very low	110 Å²	110	137.5 Å²	137.5	77%	0.769	76%	0.764	S	S	*	*			trans	-156.4	166.8	154.5	68.3	0	0	0	0	111.6
837	C	24.7	Very low	29.3	Very low	123 Å²	123	137.9 Å²	137.9	83%	0.831	76%	0.76	S	S	*	*			trans	72.4	118.1	167.4	-62.2	0	0	0	0	121.1
838	E	22	Very low	29.4	Very low	169 Å²	169	139 Å²	139	79%	0.79	77%	0.767	S	S	*	*			trans	-148.5	167.7	138.3	-91.7	-143.8	102.6	0	0	109.3
839	N	28.7	Very low	28.5	Very low	124 Å²	124	142.6 Å²	142.6	66%	0.663	78%	0.777	S	S	*	*				-165.9	-179.3	-57.5	-142.1	-26.7	0	0	0	111.1
840	R	26.6	Very low	30.1	Very low	223 Å²	223	140.4 Å²	140.4	84%	0.842	77%	0.77	S	S	*	*			trans	88.6	121.2	168.3	-52.2	179.1	-172.8	-137.5	-2	116.1
841	V	31.8	Very low	30.3	Very low	131 Å²	131	145.4 Å²	145.4	79%	0.794	78%	0.783	S	S	*	*			cis	100.2	111.6	9.8	-174.1	0	0	0	0	117.2
842	C	26.6	Very low	30.7	Very low	122 Å²	122	143.4 Å²	143.4	82%	0.824	79%	0.789	S	S	*	*			trans	-171.7	166.3	134.1	-128.3	0	0	0	0	107.7
843	S	30.5	Very low	30.7	Very low	107 Å²	107	143.7 Å²	143.7	75%	0.748	80%	0.797	S	S	*	*			cis	-144.4	-173.7	4.8	-60.9	0	0	0	0	110.6
844	S	35.1	Very low	31.1	Very low	117 Å²	117	141.2 Å²	141.2	82%	0.818	80%	0.798	S	S	*	*			trans	-111.1	-172	177.7	-52.2	0	0	0	0	111.9
845	S	35.8	Very low	31.4	Very low	105 Å²	105	137.9 Å²	137.9	73%	0.734	80%	0.8	S	S	*	*			cis	-171.7	177.4	21.5	49.4	0	0	0	0	115
846	T	32.3	Very low	31.5	Very low	130 Å²	130	139 Å²	139	80%	0.798	80%	0.799	S	S	*	*			trans	101.9	169	150.7	-2.8	0	0	0	0	121.7
847	L	36.9	Very low	31.7	Very low	153 Å²	153	138.5 Å²	138.5	80%	0.801	80%	0.795	S	S	*	*			trans	-145	164.4	-142.3	-66.5	163.3	0	0	0	114.7
848	T	28.6	Very low	32	Very low	151 Å²	151	139.9 Å²	139.9	93%	0.926	79%	0.794	S	S	*	*			trans	-178.3	-175.2	131.9	24.9	0	0	0	0	114.8
849	M	31.7	Very low	32.2	Very low	177 Å²	177	137.3 Å²	137.3	87%	0.872	79%	0.785	S	S	*	*			trans	-160.7	-172	-156.4	-99.6	-75.1	166.2	0	0	110
850	P	63.3	Low	32	Very low	93 Å²	93	139.3 Å²	139.3	60%	0.604	79%	0.791	S	S	*	*			cis	-140.1	175.3	-26.3	36.9	-17.6	0	0	0	117
851	R	31.8	Very low	32.1	Very low	235 Å²	235	133.1 Å²	133.1	89%	0.887	78%	0.782	S	S	*	*			trans	56.6	169.2	143.5	-73.2	170.1	179.7	175.4	-0.3	121.3
852	S	34.6	Very low	31.9	Very low	112 Å²	112	132.5 Å²	132.5	78%	0.783	78%	0.778	S	S	*	*			cis	-176.6	144.1	-36.3	-86.5	0	0	0	0	111
853	A	28.3	Very low	32	Very low	106 Å²	106	132.4 Å²	132.4	88%	0.876	77%	0.774	S	S	*	*			trans	-166.8	160.6	158.8	0	0	0	0	0	112.7
854	S	33.4	Very low	31.8	Very low	112 Å²	112	134.7 Å²	134.7	78%	0.783	78%	0.778	S	S	*	*			trans	-172.5	145.2	-174.6	57	0	0	0	0	115
855	T	29.1	Very low	31.4	Very low	134 Å²	134	134.4 Å²	134.4	82%	0.822	78%	0.776	S	S	*	*			trans	-167.1	132.4	149.7	14.1	0	0	0	0	115.5
856	F	27.2	Very low	30.9	Very low	185 Å²	185	133.5 Å²	133.5	81%	0.811	78%	0.775	S	S	*	*			trans	19.1	128.9	135.9	-72.4	-100.5	0	0	0	120.7
857	S	27.4	Very low	30.5	Very low	99 Å²	99	133.9 Å²	133.9	69%	0.692	78%	0.777	S	S	*	*				86.5	145.1	63.1	-64.8	0	0	0	0	113.4
858	L	29.4	Very low	29.9	Very low	153 Å²	153	131.9 Å²	131.9	80%	0.801	77%	0.771	S	S	*	*			cis	-162.2	-176.6	8	-125.8	171.6	0	0	0	112.6
859	N	26.3	Very low	29.8	Very low	114 Å²	114	132.7 Å²	132.7	61%	0.61	76%	0.764	S	S	*	*			trans	85.2	121.7	164.1	-77.9	47.5	0	0	0	122.8
860	E	24.8	Very low	29.4	Very low	167 Å²	167	135.2 Å²	135.2	78%	0.78	76%	0.764	S	S	*	*			trans	57.3	146.1	133.7	-63.7	179.6	111.6	0	0	123.2
861	S	29.3	Very low	27.8	Very low	93 Å²	93	135.6 Å²	135.6	65%	0.65	77%	0.768	S	S	*	*			cis	-161	146.9	-21.6	51.8	0	0	0	0	112.9
862	T	27.8	Very low	27.5	Very low	118 Å²	118	132.1 Å²	132.1	72%	0.724	77%	0.768	S	S	*	*			trans	37.7	114.1	154.5	46.2	0	0	0	0	123.5
863	T	28.6	Very low	27.1	Very low	120 Å²	120	131.5 Å²	131.5	74%	0.736	76%	0.763	S	S	*	*			trans	75.9	120.1	131.3	57.2	0	0	0	0	123.3
864	N	26.8	Very low	27.2	Very low	154 Å²	154	133.2 Å²	133.2	82%	0.824	76%	0.757	S	S	*	*			trans	70.8	92	139.3	-60.7	-0.6	0	0	0	121
865	S	25.8	Very low	26.8	Very low	111 Å²	111	135.7 Å²	135.7	78%	0.776	76%	0.761	S	S	*	*			trans	-100.4	145	130.3	51.6	0	0	0	0	108.7
866	A	26.6	Very low	26.7	Very low	87 Å²	87	137.4 Å²	137.4	72%	0.719	76%	0.76	S	S	*	*			cis	78.2	160.6	25.4	0	0	0	0	0	115.1
867	V	23.8	Very low	27.2	Very low	138 Å²	138	132.5 Å²	132.5	84%	0.836	75%	0.754	S	S	*	*			trans	79.6	133.7	174.4	-178.7	0	0	0	0	115.2
868	V	23.8	Very low	27.8	Very low	110 Å²	110	134.3 Å²	134.3	67%	0.667	76%	0.763	S	S	*	*			cis	-168.4	164.7	-21.5	85.2	0	0	0	0	112.4
869	Q	25.3	Very low	27.9	Very low	168 Å²	168	133 Å²	133	79%	0.785	76%	0.761	S	S	*	*			trans	57.3	157	163.1	-72.8	160.7	-15	0	0	120
870	R	25	Very low	28.2	Very low	231 Å²	231	136.8 Å²	136.8	87%	0.872	77%	0.772	S	S	*	*			cis	95.2	131.8	13.5	-107.6	-172.9	-174.6	-177.6	2.5	118.7
871	S	27.8	Very low	28.9	Very low	100 Å²	100	134.5 Å²	134.5	70%	0.699	77%	0.772	S	S	*	*			trans	65.1	157.8	161.2	32.8	0	0	0	0	118.1
872	N	26.9	Very low	28.7	Very low	163 Å²	163	141.2 Å²	141.2	87%	0.872	78%	0.783	S	S	*	*			cis	-159	177.4	-16	-108.6	7.5	0	0	0	110
873	S	26.5	Very low	28.7	Very low	99 Å²	99	142.8 Å²	142.8	69%	0.692	79%	0.785	S	S	*	*			trans	-98.9	153.5	173.7	57.6	0	0	0	0	114
874	L	29.6	Very low	28.9	Very low	142 Å²	142	142.8 Å²	142.8	74%	0.743	79%	0.787	S	S	*	*				165.5	135	129.4	-91.8	163.2	0	0	0	112.7
875	D	25.7	Very low	28.9	Very low	164 Å²	164	141.4 Å²	141.4	88%	0.877	78%	0.784	S	S	*	*				178.3	169.6	129.3	-98.9	-23.9	0	0	0	112.5
876	H	27.1	Very low	28.8	Very low	169 Å²	169	141 Å²	141	78%	0.782	78%	0.78	S	S	*	*			trans	-115.9	150.8	-152	-94	-90.5	0	0	0	119.3
877	A	37.7	Very low	28.8	Very low	83 Å²	83	143.7 Å²	143.7	69%	0.686	78%	0.781	S	S	*	*			trans	3.3	153.8	151.7	0	0	0	0	0	122.7
878	P	40.1	Very low	28.7	Very low	136 Å²	136	147.7 Å²	147.7	88%	0.883	78%	0.781	S	S	*	*				-144.4	-154.5	100.7	40.6	-24.8	0	0	0	115.9
879	V	30.5	Very low	28.7	Very low	126 Å²	126	147.8 Å²	147.8	76%	0.764	79%	0.786	S	S	*	*			trans	-124.1	150.4	-154.1	165.2	0	0	0	0	114.1
880	K	32.3	Very low	29.7	Very low	193 Å²	193	145.2 Å²	145.2	84%	0.839	78%	0.784	S	S	*	*			trans	25	139.8	158.5	-69.7	177.7	-179.3	178.4	0	120
881	P	40.9	Very low	29.5	Very low	120 Å²	120	140 Å²	140	78%	0.779	78%	0.782	S	S	*	*				-144.8	-161.1	69.4	31.2	-5.9	0	0	0	112.8
882	R	25.1	Very low	29.5	Very low	234 Å²	234	141.5 Å²	141.5	88%	0.883	79%	0.787	S	S	*	*			cis	-142.5	-173.1	15.4	-72.8	-176.9	164.2	157.3	-3.2	111.9
883	I	26.3	Very low	30.4	Very low	151 Å²	151	139.5 Å²	139.5	77%	0.774	78%	0.783	S	S	*	*			trans	-128.8	145.6	170.2	-54.5	159.1	0	0	0	107.6
884	P	33.5	Very low	30.2	Very low	119 Å²	119	139.1 Å²	139.1	77%	0.773	79%	0.785	S	S	*	*				-125.2	138.1	109.5	-2.9	25	0	0	0	112.9
885	V	26.5	Very low	30.1	Very low	126 Å²	126	141.4 Å²	141.4	76%	0.764	79%	0.79	S	S	*	*				74.9	127.1	85.9	173.9	0	0	0	0	112.3
886	C	24	Very low	30.1	Very low	102 Å²	102	141.2 Å²	141.2	69%	0.689	79%	0.787	S	S	*	*			cis	-153.8	159.6	24	-142.4	0	0	0	0	115.8
887	I	25.6	Very low	30	Very low	143 Å²	143	141 Å²	141	73%	0.733	79%	0.786	S	S	*	*			trans	34.4	111.2	145	-69.8	171.6	0	0	0	119.2
888	R	23.2	Very low	29.5	Very low	223 Å²	223	142 Å²	142	84%	0.842	79%	0.788	S	S	*	*				77.1	110.7	75.2	-83.3	-174	176.7	-174	-0.3	117.1
889	S	24.1	Very low	28.8	Very low	112 Å²	112	139.5 Å²	139.5	78%	0.783	77%	0.773	S	S	*	*				41.5	161.1	122.2	-48.3	0	0	0	0	122.9
890	P	45	Very low	28.7	Very low	113 Å²	113	144 Å²	144	73%	0.734	78%	0.778	S	S	*	*			cis	-131.6	-168.2	-39.4	39.7	-22.7	0	0	0	111.5
891	C	22	Very low	28.5	Very low	122 Å²	122	140 Å²	140	82%	0.824	77%	0.774	S	S	*	*			trans	162.9	133.7	130.4	-93.3	0	0	0	0	115.2
892	T	27.8	Very low	27.8	Very low	131 Å²	131	138.6 Å²	138.6	80%	0.804	77%	0.773	S	S	*	*			trans	-87.3	176.5	146.5	47.5	0	0	0	0	108.5
893	P	44.2	Very low	28	Very low	122 Å²	122	132 Å²	132	79%	0.792	76%	0.763	S	S	*	*			cis	-142.9	-159.4	15.2	41.8	-19.4	0	0	0	115.6
894	A	23.5	Very low	28	Very low	90 Å²	90	132.1 Å²	132.1	74%	0.744	77%	0.765	S	S	*	*			trans	112.5	114.1	141.9	0	0	0	0	0	120.8
895	K	27.3	Very low	27.7	Very low	191 Å²	191	131 Å²	131	83%	0.83	76%	0.76	S	S	*	*			trans	-2.1	140.6	141.8	-56.4	172.5	176.6	-179.5	0	119.7
896	I	25.7	Very low	27.8	Very low	159 Å²	159	130.9 Å²	130.9	82%	0.815	77%	0.765	S	S	*	*				-173.5	120.9	120.5	-92.3	149	0	0	0	106.3
897	H	25.3	Very low	27.9	Very low	166 Å²	166	130.1 Å²	130.1	77%	0.769	77%	0.774	S	S	*	*				78.4	131.3	67.8	-110.9	-82.9	0	0	0	116.3
898	S	26.3	Very low	28.1	Very low	103 Å²	103	126.9 Å²	126.9	72%	0.72	78%	0.776	S	S	*	*			trans	71.9	153.1	158.7	77.8	0	0	0	0	118.3
899	S	25.5	Very low	29.1	Very low	84 Å²	84	122.1 Å²	122.1	59%	0.587	77%	0.774	S	S	*	*			cis	179.7	161.9	-20.5	49.7	0	0	0	0	111.5
900	Y	27.9	Very low	29.2	Very low	220 Å²	220	126.1 Å²	126.1	86%	0.863	78%	0.78	S	S	*	*			trans	67.3	154.6	166.8	-64.2	-70.6	0	0	0	116.7
901	S	28	Very low	28.3	Very low	108 Å²	108	127.9 Å²	127.9	76%	0.755	78%	0.783	S	S	*	*			cis	-157.7	177	-10.7	42.5	0	0	0	0	111.2
902	A	27.7	Very low	28.4	Very low	92 Å²	92	132.1 Å²	132.1	76%	0.76	79%	0.787	S	S	*	*			trans	-69.6	179.2	172.7	0	0	0	0	0	112.8
903	S	28.6	Very low	28.3	Very low	95 Å²	95	136 Å²	136	66%	0.664	79%	0.789	S	S	*	*			cis	-165.1	159	14.4	41.1	0	0	0	0	111.3
904	D	27.1	Very low	27.3	Very low	154 Å²	154	135.9 Å²	135.9	82%	0.824	79%	0.79	S	S	*	*			trans	60	149.1	152.7	-64.9	-15.8	0	0	0	120.4
905	S	26.7	Very low	27.4	Very low	96 Å²	96	136.9 Å²	136.9	67%	0.671	79%	0.792	S	S	*	*			cis	-165.5	165	-12.4	53.7	0	0	0	0	111.5
906	S	27.5	Very low	27.2	Very low	123 Å²	123	134 Å²	134	86%	0.86	79%	0.79	S	S	*	*			trans	69.7	150.2	164	79.5	0	0	0	0	119.3
907	G	28	Very low	27.2	Very low	85 Å²	85	133.7 Å²	133.7	88%	0.876	79%	0.789	S	S	*	*			trans	105.9	112.2	164.8	0	0	0	0	0	116.9
908	G	28.3	Very low	27.1	Very low	75 Å²	75	134.1 Å²	134.1	77%	0.773	79%	0.791	S	S	*	*			trans	-139.8	-174.8	156.2	0	0	0	0	0	108.9
909	P	45	Very low	27	Very low	124 Å²	124	136.6 Å²	136.6	81%	0.805	79%	0.791	S	S	*	*			cis	-127.5	167	2.5	41.4	-28	0	0	0	114.4
910	E	25.6	Very low	26.9	Very low	195 Å²	195	144.1 Å²	144.1	91%	0.911	81%	0.808	S	S	*	*				-176.1	167.7	125.9	-105.6	-160	148.5	0	0	112.1
911	L	26.5	Very low	26.8	Very low	151 Å²	151	142.6 Å²	142.6	79%	0.791	81%	0.806	S	S	*	*			trans	-98.1	150.6	-172.3	-67	115.5	0	0	0	114.1
912	K	23.8	Very low	26.5	Very low	211 Å²	211	142.8 Å²	142.8	92%	0.917	81%	0.807	S	S	*	*			trans	-155.4	134.7	140.3	-112.1	154.5	-167	166	0	112.9
913	Y	25	Very low	26.3	Very low	213 Å²	213	145.3 Å²	145.3	84%	0.835	81%	0.814	S	S	*	*			trans	-77.9	144	172.7	-98.2	-109.4	0	0	0	111.3
914	S	24.2	Very low	25.9	Very low	118 Å²	118	145.1 Å²	145.1	83%	0.825	81%	0.813	S	S	*	*				-164.5	144.4	124.4	51.1	0	0	0	0	111
915	S	24.7	Very low	25.8	Very low	111 Å²	111	148.5 Å²	148.5	78%	0.776	82%	0.815	S	S	*	*			trans	-130.5	145.4	173.4	50.8	0	0	0	0	109.3
916	V	23.6	Very low	25.5	Very low	131 Å²	131	148.8 Å²	148.8	79%	0.794	82%	0.817	S	S	*	*			trans	-141.7	161.8	-176.2	-179.2	0	0	0	0	108.2
917	I	25.3	Very low	25.4	Very low	153 Å²	153	149.8 Å²	149.8	79%	0.785	82%	0.818	S	S	*	*			trans	79.3	103.6	-168.5	-49.8	173.9	0	0	0	110.2
918	Q	24.1	Very low	25.4	Very low	174 Å²	174	151.3 Å²	151.3	81%	0.813	81%	0.812	S	S	*	*			cis	94	142.4	37.9	-163.3	173.4	6	0	0	113.2
919	E	23.3	Very low	25.2	Very low	155 Å²	155	156.4 Å²	156.4	72%	0.724	82%	0.818	S	S	*	*			trans	-72.1	158.4	-158	-49.3	169	114.4	0	0	115.9
920	Y	24.5	Very low	24.3	Very low	243 Å²	243	158 Å²	158	95%	0.953	82%	0.818	S	S	*	*			trans	-130.5	153.3	145.9	-104.8	-89.1	0	0	0	110.9
921	K	24.5	Very low	24.2	Very low	187 Å²	187	156.4 Å²	156.4	81%	0.813	81%	0.811	S	S	*	*			trans	-94	158.7	-160.2	-78.4	178.7	175.1	174.1	0	115.9
922	S	22.7	Very low	24.2	Very low	112 Å²	112	155.1 Å²	155.1	78%	0.783	81%	0.811	S	S	*	*			trans	-57.2	161.2	-180	-30.1	0	0	0	0	116.5
923	T	22.8	Very low	24.2	Very low	146 Å²	146	154.5 Å²	154.5	90%	0.896	81%	0.809	S	S	*	*			trans	-131.6	152.2	145.2	-48.5	0	0	0	0	108.6
924	S	21.7	Very low	24	Very low	91 Å²	91	149 Å²	149	64%	0.636	80%	0.801	S	S	*	*			trans	-139.3	139.4	-157	57.6	0	0	0	0	115.5
925	Y	24.2	Very low	24.2	Very low	225 Å²	225	150.9 Å²	150.9	88%	0.882	80%	0.8	S	S	*	*			trans	-152.3	120.6	148.4	-70.2	-72.7	0	0	0	107
926	S	20.9	Very low	24.4	Very low	101 Å²	101	151.2 Å²	151.2	71%	0.706	80%	0.8	S	S	*	*			cis	94.5	97.1	33	80	0	0	0	0	114.2
927	V	25.1	Very low	24.4	Very low	144 Å²	144	153.9 Å²	153.9	87%	0.873	80%	0.804	S	S	*	*			trans	-135	140.1	168.1	175.9	0	0	0	0	106.8
928	P	28.6	Very low	24.5	Very low	118 Å²	118	156.2 Å²	156.2	77%	0.766	81%	0.808	S	S	*	*			trans	-88.2	150.7	-152.9	32.5	-36.5	0	0	0	116.4
929	M	22.8	Very low	24.4	Very low	182 Å²	182	152.2 Å²	152.2	90%	0.897	80%	0.8	S	S	*	*			trans	-84	138.4	163	-91.8	-95	179.9	0	0	110.8
930	I	25.9	Very low	24.5	Very low	158 Å²	158	151.6 Å²	151.6	81%	0.81	80%	0.8	S	S	*	*			trans	-113.9	127.3	161.4	-65	-179.7	0	0	0	108.2
931	Q	24.3	Very low	24.4	Very low	160 Å²	160	149 Å²	149	75%	0.748	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-86.9	137.9	-177.4	-63.3	175	-15.7	0	0	111.8	K933	Q931-K933 PolarHBondContact O-N 2.9Å
932	P	26.4	Very low	24.3	Very low	124 Å²	124	144.9 Å²	144.9	81%	0.805	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-77	116.2	157.4	30.8	-29.9	0	0	0	109.9
933	K	24	Very low	24.4	Very low	199 Å²	199	148 Å²	148	87%	0.865	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-72.8	160.8	166.1	-81.9	-175.8	175.4	178.1	0	110.9	Q931	Q931-K933 PolarHBondContact O-N 2.9Å
934	S	21.2	Very low	24.5	Very low	97 Å²	97	146.1 Å²	146.1	68%	0.678	79%	0.786	S	S	*	*			trans	-140.3	162	-166.1	57.5	0	0	0	0	113.3
935	I	27.8	Very low	24.5	Very low	157 Å²	157	145.5 Å²	145.5	81%	0.805	79%	0.794	S	S	*	*			trans	73.4	146.4	162.3	-65.9	157.2	0	0	0	114.2
936	P	28.3	Very low	24.6	Very low	119 Å²	119	144.6 Å²	144.6	77%	0.773	80%	0.797	S	S	*	*			cis	-124.8	179.6	13.1	25.5	-1.9	0	0	0	117.1
937	Q	24.9	Very low	24.6	Very low	187 Å²	187	143.5 Å²	143.5	87%	0.874	80%	0.802	S	S	*	*			trans	-109	149.5	162	-61.8	177	-43.4	0	0	110.7
938	K	26.3	Very low	24.6	Very low	201 Å²	201	142 Å²	142	87%	0.874	80%	0.798	S	S	*	*			trans	-175.3	114.3	132.7	-108.4	175.6	-178.3	-179.5	0	116.8
939	S	22.7	Very low	24.9	Very low	90 Å²	90	142.1 Å²	142.1	63%	0.629	80%	0.799	S	S	*	*				52.6	112.4	129.8	62.4	0	0	0	0	125.4
940	I	24.6	Very low	25	Very low	143 Å²	143	142 Å²	142	73%	0.733	80%	0.795	S	S	*	*				64.7	113.6	128.7	-40.9	157	0	0	0	120.7
941	F	23.4	Very low	24.9	Very low	187 Å²	187	140.2 Å²	140.2	82%	0.82	79%	0.787	S	S	*	*				-177.4	156.1	105.8	-111.6	-74.2	0	0	0	115.4
942	T	22.8	Very low	24.9	Very low	102 Å²	102	140.8 Å²	140.8	63%	0.626	79%	0.787	S	S	*	*			trans	-2.5	141.5	167.5	40.8	0	0	0	0	125.9
943	Q	24	Very low	24.7	Very low	178 Å²	178	141.3 Å²	141.3	83%	0.832	78%	0.783	S	S	*	*			trans	64	124.7	132.4	-71.4	-178	-25.1	0	0	123.6
944	A	23.7	Very low	24.8	Very low	106 Å²	106	139.7 Å²	139.7	88%	0.876	78%	0.782	S	S	*	*			trans	61.4	148.5	131.2	0	0	0	0	0	121.9
945	G	23.3	Very low	24.9	Very low	77 Å²	77	143.3 Å²	143.3	79%	0.794	79%	0.788	S	S	*	*			trans	130.9	137.9	159.8	0	0	0	0	0	115.7
946	H	24.8	Very low	24.9	Very low	206 Å²	206	141.5 Å²	141.5	95%	0.954	79%	0.787	S	S	*	*			trans	-72.3	158.9	169.1	-68.8	-111.1	0	0	0	111.9
947	G	22.7	Very low	24.8	Very low	79 Å²	79	145.5 Å²	145.5	81%	0.814	80%	0.795	S	S	*	*			trans	157.1	110	155.4	0	0	0	0	0	116.4
948	S	23.7	Very low	24.8	Very low	111 Å²	111	142.6 Å²	142.6	78%	0.776	80%	0.796	S	S	*	*			trans	-86.8	156.9	153.5	-48.5	0	0	0	0	108.4
949	P	36	Very low	24.8	Very low	121 Å²	121	136 Å²	136	79%	0.786	78%	0.784	S	S	*	*				-154.5	157.8	75.2	40.8	-20.6	0	0	0	118.8
950	H	24.2	Very low	25	Very low	179 Å²	179	140.5 Å²	140.5	83%	0.829	80%	0.796	S	S	*	*			trans	32.2	147	140.7	-85.5	-36.2	0	0	0	127.3
951	L	24.4	Very low	25.1	Very low	122 Å²	122	140.4 Å²	140.4	64%	0.639	80%	0.796	S	S	*	*			trans	97.5	115.4	133.9	-110.9	81.9	0	0	0	121.7
952	K	23.9	Very low	25.3	Very low	172 Å²	172	138.7 Å²	138.7	75%	0.748	80%	0.795	S	S	*	*			trans	50.2	146.1	130.9	-67.3	176.6	-173.1	171.9	0	119.7
953	N	22.6	Very low	25.5	Very low	135 Å²	135	138.3 Å²	138.3	72%	0.722	80%	0.802	S	S	*	*			cis	-146.8	172.4	-0.3	-96.7	-13.9	0	0	0	106.3
954	I	25.1	Very low	25.6	Very low	165 Å²	165	140.2 Å²	140.2	85%	0.846	80%	0.802	S	S	*	*				-172.3	153.8	73.6	-80.8	175.9	0	0	0	109.6
955	Q	24.5	Very low	25.7	Very low	172 Å²	172	146 Å²	146	80%	0.804	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-80.7	148.3	-174	-172	178.3	6	0	0	114.5
956	P	27.6	Very low	25.8	Very low	119 Å²	119	150.3 Å²	150.3	77%	0.773	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-83.4	154.5	166.8	33.9	-33.3	0	0	0	112.6
957	Q	25.4	Very low	25.8	Very low	203 Å²	203	144.8 Å²	144.8	95%	0.949	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-92.7	170.7	-173.8	-73.5	-176.4	-37.8	0	0	115
958	S	25.6	Very low	26	Very low	127 Å²	127	147.1 Å²	147.1	89%	0.888	80%	0.798	S	S	*	*			trans	-107.7	164.2	-170.1	52.1	0	0	0	0	115
959	G	26.1	Very low	26	Very low	61 Å²	61	145.8 Å²	145.8	63%	0.629	80%	0.802	S	S	*	*			trans	145.4	113.7	170.1	0	0	0	0	0	110.4
960	Q	27.1	Very low	25.4	Very low	186 Å²	186	143.2 Å²	143.2	87%	0.869	80%	0.798	S	S	*	*				64.8	133.1	73.4	-71.9	179.2	-26	0	0	112.8
961	D	26.2	Very low	25.4	Very low	141 Å²	141	145 Å²	145	75%	0.754	80%	0.804	S	S	*	*			cis	-160.3	-176.5	13	-138.9	-29.8	0	0	0	114.5
962	L	26.8	Very low	25.5	Very low	150 Å²	150	147.4 Å²	147.4	79%	0.785	81%	0.812	S	S	*	*			trans	109.2	127.3	146.3	-146.8	79.6	0	0	0	119.1
963	A	27.4	Very low	26.1	Very low	94 Å²	94	144 Å²	144	78%	0.777	81%	0.808	S	S	*	*			trans	-128.5	150.4	176	0	0	0	0	0	113.2
964	R	26.8	Very low	26.2	Very low	218 Å²	218	148.4 Å²	148.4	82%	0.823	81%	0.814	S	S	*	*			trans	-157.1	125.8	166.6	-99.3	164.8	-163	-167.6	4.3	108.8
965	R	25.6	Very low	26.4	Very low	227 Å²	227	146 Å²	146	86%	0.857	81%	0.811	S	S	*	*				60.4	110	89.6	-74.2	-167	-177.9	-158.2	2.1	111.7
966	L	25	Very low	26.8	Very low	169 Å²	169	144 Å²	144	89%	0.885	81%	0.814	S	S	*	*				-176.2	171.2	63.6	-88.5	149	0	0	0	108
967	A	25.3	Very low	26.6	Very low	89 Å²	89	141.7 Å²	141.7	74%	0.736	81%	0.811	S	S	*	*			cis	-157.4	161.5	-13.3	0	0	0	0	0	108.5
968	S	26.2	Very low	27.6	Very low	128 Å²	128	137.5 Å²	137.5	90%	0.895	80%	0.801	S	S	*	*			trans	-100.7	146.1	170.5	50.8	0	0	0	0	111.9
969	G	24.5	Very low	27.5	Very low	83 Å²	83	139.7 Å²	139.7	86%	0.856	80%	0.798	S	S	*	*			trans	-158.7	124.5	170.6	0	0	0	0	0	109.1
970	G	24.1	Very low	28	Very low	68 Å²	68	141.6 Å²	141.6	70%	0.701	80%	0.799	S	S	*	*			trans	-144.8	151.4	-177.6	0	0	0	0	0	111.5
971	F	22.8	Very low	27.9	Very low	215 Å²	215	138.6 Å²	138.6	94%	0.943	79%	0.793	S	S	*	*			trans	-143.4	134.5	169.5	-100.4	-81.6	0	0	0	110.5
972	Q	26.9	Very low	27.9	Very low	173 Å²	173	137.6 Å²	137.6	81%	0.808	79%	0.792	S	S	*	*			trans	-80.5	171.3	163.2	-122.8	-168.8	27	0	0	108.8
973	P	37.4	Very low	27.8	Very low	102 Å²	102	137.2 Å²	137.2	66%	0.662	79%	0.79	S	S	*	*				-158.2	178.4	56.3	44.1	-22.3	0	0	0	119.8
974	R	24.4	Very low	27.6	Very low	227 Å²	227	138.9 Å²	138.9	86%	0.857	79%	0.786	S	S	*	*			trans	68	106.8	146.9	-79.4	164.4	-174.6	-174.5	1	120.9
975	S	28.8	Very low	27.4	Very low	113 Å²	113	133.4 Å²	133.4	79%	0.79	78%	0.777	S	S	*	*			trans	-83.2	163.5	136.1	53.3	0	0	0	0	111.5
976	P	32.9	Very low	27.4	Very low	132 Å²	132	132.9 Å²	132.9	86%	0.857	78%	0.775	S	S	*	*			trans	-136.1	158.6	150.7	38.5	-26.2	0	0	0	114.6
977	G	24	Very low	27.3	Very low	69 Å²	69	129.7 Å²	129.7	71%	0.711	76%	0.763	S	S	*	*			trans	-152.5	-162	156.9	0	0	0	0	0	107.5
978	P	46.5	Very low	27.3	Very low	115 Å²	115	134.8 Å²	134.8	75%	0.747	77%	0.769	S	S	*	*			cis	-137.5	179.9	-8.9	42.7	-26.7	0	0	0	114.7
979	Q	23.2	Very low	27.1	Very low	173 Å²	173	133.6 Å²	133.6	81%	0.808	76%	0.761	S	S	*	*			trans	65.8	-178.8	158.1	-61.1	-129.7	11.6	0	0	116.9
980	P	36.8	Very low	27.1	Very low	102 Å²	102	138.3 Å²	138.3	66%	0.662	76%	0.76	S	S	*	*			cis	-134.2	161.4	-9.9	18.3	6.9	0	0	0	117.3
981	V	25	Very low	27.2	Very low	122 Å²	122	140.9 Å²	140.9	74%	0.739	77%	0.768	S	S	*	*			trans	65.9	146.7	138	175.2	0	0	0	0	117.5
982	T	24.4	Very low	27.3	Very low	121 Å²	121	136.4 Å²	136.4	74%	0.742	76%	0.761	S	S	*	*			cis	-157.5	161.4	42.8	-21.9	0	0	0	0	114.6
983	L	25.3	Very low	27.3	Very low	141 Å²	141	136.5 Å²	136.5	74%	0.738	77%	0.767	S	S	*	*			trans	-13.3	157.6	153	-83.1	60.2	0	0	0	119.3
984	N	24.1	Very low	26.8	Very low	129 Å²	129	138.3 Å²	138.3	69%	0.69	77%	0.771	S	S	*	*				-168.1	160.3	54.8	-131.7	-14.2	0	0	0	117.5
985	T	22.9	Very low	27.6	Very low	103 Å²	103	133 Å²	133	63%	0.632	77%	0.766	S	S	*	*			trans	-3	158.5	151.2	56.9	0	0	0	0	122.1
986	R	24.4	Very low	27.4	Very low	216 Å²	216	136 Å²	136	82%	0.815	77%	0.767	S	S	*	*			cis	-170.2	137.5	28.1	-132.5	160.3	-173.3	-177.4	2.3	114.9
987	T	24.3	Very low	27.1	Very low	103 Å²	103	136.3 Å²	136.3	63%	0.632	77%	0.766	S	S	*	*			trans	52	144.1	134.4	57.2	0	0	0	0	127.2
988	F	23.5	Very low	27.2	Very low	196 Å²	196	139.4 Å²	139.4	86%	0.86	76%	0.762	S	S	*	*			trans	72.1	150.9	149.5	-72	-52.6	0	0	0	118.9
989	S	23.6	Very low	26.8	Very low	103 Å²	103	139.9 Å²	139.9	72%	0.72	77%	0.765	S	S	*	*			cis	-156.1	-177.7	-3.9	43.4	0	0	0	0	112.4
990	E	24.5	Very low	27	Very low	181 Å²	181	139.1 Å²	139.1	85%	0.846	76%	0.762	S	S	*	*			trans	-61.2	158.1	-176.7	-55.1	148.3	106	0	0	116.4
991	S	24.6	Very low	26.5	Very low	123 Å²	123	139.8 Å²	139.8	86%	0.86	77%	0.769	S	S	*	*				-178.9	156.6	113.3	33.5	0	0	0	0	112.6
992	C	26	Very low	26.6	Very low	120 Å²	120	138.4 Å²	138.4	81%	0.811	77%	0.77	S	S	*	*			trans	-89	160.8	176.9	-54.6	0	0	0	0	112
993	L	26.9	Very low	26.7	Very low	175 Å²	175	138.8 Å²	138.8	92%	0.916	77%	0.772	S	S	*	*				-176.1	131.4	119.8	-98.5	162.3	0	0	0	112.6
994	D	26.2	Very low	26.8	Very low	141 Å²	141	140 Å²	140	75%	0.754	78%	0.778	S	S	*	*			trans	-79.8	161.8	156.5	-121	-46	0	0	0	108.5
995	P	40.7	Very low	26.9	Very low	115 Å²	115	139.1 Å²	139.1	75%	0.747	78%	0.778	S	S	*	*				-152.8	171.3	62.8	41.3	-20.6	0	0	0	119.2
996	Q	26.1	Very low	27.1	Very low	175 Å²	175	139 Å²	139	82%	0.818	78%	0.781	S	S	*	*			trans	-8.7	152.4	152.5	-58.7	-171.5	-28.7	0	0	120.7
997	V	25.6	Very low	27.9	Very low	139 Å²	139	134 Å²	134	84%	0.842	78%	0.776	S	S	*	*				-165.5	140.8	108.3	141	0	0	0	0	111.2
998	E	26.5	Very low	28.2	Very low	135 Å²	135	139.5 Å²	139.5	63%	0.631	79%	0.786	S	S	*	*			trans	-88.8	162.2	173.6	-148.3	-167.7	-155.8	0	0	110.4	Q1000	E998-Q1000 HydrophobicContact CG-CG 4.48Å; E998-Q1000 WeakPolarHBondContact OE1-CG 3.42Å; E998-Q1000 PolarHBondContact OE1-NE2 3.47Å
999	P	37.6	Very low	28.5	Very low	124 Å²	124	140 Å²	140	81%	0.805	78%	0.782	S	S	*	*				-150.9	170.4	95	38.8	-21.5	0	0	0	115.9
1000	Q	27.1	Very low	28.8	Very low	158 Å²	158	141 Å²	141	74%	0.738	78%	0.775	S	S	*	*			trans	-104.4	145.1	178.1	-53.6	171.8	15.6	0	0	112.5	E998	E998-Q1000 HydrophobicContact CG-CG 4.48Å; E998-Q1000 WeakPolarHBondContact OE1-CG 3.42Å; E998-Q1000 PolarHBondContact OE1-NE2 3.47Å
1001	S	26.6	Very low	29.2	Very low	115 Å²	115	139.6 Å²	139.6	80%	0.804	77%	0.77	S	S	*	*			trans	-158.9	106.3	153.2	60.7	0	0	0	0	109
1002	A	27.3	Very low	29.8	Very low	93 Å²	93	140.6 Å²	140.6	77%	0.769	77%	0.766	S	S	*	*				88.9	97.9	54.3	0	0	0	0	0	114.2
1003	V	27.7	Very low	30.6	Very low	130 Å²	130	146.1 Å²	146.1	79%	0.788	79%	0.785	S	S	*	*			trans	61.8	122	143.4	-176.2	0	0	0	0	119.4
1004	L	26.9	Very low	30.8	Very low	166 Å²	166	144.7 Å²	144.7	87%	0.869	78%	0.778	S	S	*	*				-156.1	142.3	128.1	-106.9	167.4	0	0	0	113
1005	T	26.1	Very low	31	Very low	111 Å²	111	144.9 Å²	144.9	68%	0.681	78%	0.779	S	S	*	*			trans	-60.5	139.6	-168.3	49	0	0	0	0	118.6
1006	S	26	Very low	30.5	Very low	100 Å²	100	146.6 Å²	146.6	70%	0.699	78%	0.781	S	S	*	*				16.1	139.9	111.8	-162.6	0	0	0	0	117.3
1007	P	42.6	Very low	30.7	Very low	110 Å²	110	144.9 Å²	144.9	71%	0.714	78%	0.779	S	S	*	*				-156.8	162.2	50.6	43.1	-21.8	0	0	0	121.7
1008	R	29.2	Very low	31	Very low	220 Å²	220	145.3 Å²	145.3	83%	0.83	78%	0.775	S	S	*	*			trans	42.3	140.6	139.7	-71.3	-179.3	165.8	174.7	-3.6	124
1009	R	31.5	Very low	31.3	Very low	206 Å²	206	145.9 Å²	145.9	78%	0.777	79%	0.785	S	S	*	*			trans	73.3	156.3	146.2	-80.5	170.1	163.1	-143.1	3.8	116.1
1010	E	29.8	Very low	30.9	Very low	125 Å²	125	147.5 Å²	147.5	58%	0.584	78%	0.783	S	S	*	*			cis	-149.1	152.9	7.9	-144.5	140.4	-135.6	0	0	114.2
1011	M	32.8	Very low	31.2	Very low	150 Å²	150	146.7 Å²	146.7	74%	0.739	79%	0.786	S	S	*	*			trans	30.1	130.1	149.5	-72.6	168.4	59.6	0	0	124.2
1012	L	37.3	Very low	31.6	Very low	145 Å²	145	149.3 Å²	149.3	76%	0.759	79%	0.785	S	S	*	*			trans	47.8	122.4	130.6	-70.2	154.6	0	0	0	120.8
1013	I	41.7	Very low	32	Very low	236 Å²	236	154.5 Å²	154.5	100%	1.21	79%	0.787	S	S	*	*				-140.5	0	93.9	-93.5	161.5	0	0	0	108.4

Retrieved 1,013 of 1,013 residues in 239.4 ms (Link to these results)

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