A0A087XR42_POEFO Loading...

Anion exchange protein

AlphaFold DB , UniProt , Accession A0A087XR42, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,036 aa.

						>A0A087XR42_POEFO|A0A087XR42
ASDALFQKLRFCVNQRPDEEVVVDQGGTSSVMNIHYEKEELEGHRTLFVGVRMPRQSHRHHKPHGSRHRKKDKRAGSITTQQSESDTPSQRVQFILGTEEDAEHASHELFTELDEICVKDGKDAEWKETARWLKFEEDVEDGGERWSKPYVATLSLHSLFELRSCIINGSVLLDMRADSIEEIADMVLDHQEASHELDDTVRVRVREALLKRHHHQNEKKKNLIPMVRSITEGARKQSEPQVVDGSEYREMEPAKNGAGPDSSQVDLSKVDLHFMKKIPEGAEASNVLVGVLDFLERPVVAFVRLSPAVLLTGLTEVPIPTRFLFILLGPDGKAQQYHEIGRSMATIMTDEIFHNVAYKAKDRSDLLAGIDEFLDQVTVLPPGEWDPSIRIEPPKSVPSQEKRKMPGVPNGTTLQVEEPQHAEHHGPELQRTGRLFGGLILDIKRKAPFYVSDFKDGLSLQCVASFLFLYCACMSPVITFGGLLGEATEGRISAIESLFGASMTGVAYSLFAGQPLTILGSTGPVLVFEKILFKFCKDYDLSYLSLRACIGLWTALLCFMLVATDASSLVCYITRFTEEAFAALICLIFIYEALEKLFHLGELYPFNANSELDKLTLAYCRCSQPDNPSNKTFELWSERNITAWAVSWENLTVKECMSLQGHFVGTACGHHGPFTPDVLFWSIILFFSTFFMSAFLKQFKTSRYFPTKVRSMISDFAVFLTIVVMVLLDFAVGVPSQKLKVPSKFQPTRDDRGWLINPIGRNPWWTALVASIPALLCTILIFMDQQITAVIINRKEHKLLKGCGYHLDLLMVGVMLAVCSIMGLPWFVAATVLSISHVNSLKLESESAAPGEQPRFLGIREQRLTGLVIFLLMGCSVFMTGALQFIPMPVLYGVFLYMGASSLKGIQFFDRLKLFGMPAKHQPDFIYLRHVPLRKVHLFTVTQLTCLVLLWVIKTSPAAIIFPMMVLALVFIRKLLDLCFSKRELSYLDDLMPEWKKKNLDDASKKLEEESQEMLSLKRDESAAVQITMEGSRLVQ
					

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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	A	48.2	Very low	33.2	Very low	150 Å²	150	149.3 Å²	149.3	100%	1.24	79%	0.786	S	S	*	*				0	61	0	0	0	0	0	0	109.4
2	S	33.1	Very low	32.8	Very low	94 Å²	94	147.1 Å²	147.1	66%	0.657	79%	0.789	S	S	*	*			trans	-125.4	-22.1	-166.5	-48.6	0	0	0	0	113.4
3	D	31.6	Very low	32.5	Very low	136 Å²	136	144.5 Å²	144.5	73%	0.727	78%	0.781	S	S	*	*	H	α-helix	trans	-84.1	-22.7	-177.4	-55.7	-62.5	0	0	0	114.2	L5	D3-L5 PolarHBondContact O-N 3.41Å
4	A	34.6	Very low	32.2	Very low	88 Å²	88	145 Å²	145	73%	0.727	78%	0.784	S	S	*	*	H	α-helix	trans	-69.4	-18.2	-178.8	0	0	0	0	0	114.2
5	L	34	Very low	31.8	Very low	137 Å²	137	148.3 Å²	148.3	72%	0.717	79%	0.792	S	S	*	*	H	α-helix	trans	-93.8	-28.2	-176.3	-131.9	153.9	0	0	0	112.2	D3 Q7	D3-L5 PolarHBondContact O-N 3.41Å; L5-Q7 VanDerWaalsContact C-N 3.32Å; L5-Q7 PolarHBondContact O-N 3.1Å
6	F	34.4	Very low	31.4	Very low	168 Å²	168	153.6 Å²	153.6	74%	0.737	80%	0.797	S	S	*	*	H	α-helix	trans	-70.2	-27.4	177	-117.7	-90	0	0	0	113.2
7	Q	32	Very low	31.1	Very low	155 Å²	155	152 Å²	152	72%	0.724	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-20.1	-173.4	-150.5	162.3	6.6	0	0	113.8	L5	L5-Q7 VanDerWaalsContact C-N 3.32Å; L5-Q7 PolarHBondContact O-N 3.1Å
8	K	32	Very low	30.8	Very low	181 Å²	181	151.9 Å²	151.9	79%	0.787	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-24.1	174.8	-101.1	-177.6	174.9	-179.7	0	114.3
9	L	30.9	Very low	30.5	Very low	133 Å²	133	154.3 Å²	154.3	70%	0.696	81%	0.805	S	S	*	*	G	3₁₀ helix	trans	-78.9	-18.7	178.3	-99.5	155.3	0	0	0	113.7
10	R	27.6	Very low	30.4	Very low	207 Å²	207	155.5 Å²	155.5	78%	0.781	81%	0.807	S	S	*	*	G	3₁₀ helix	trans	-86.3	-5.6	-176.4	-160.7	174.4	-85.1	-158.4	-3.8	114.1
11	F	27.3	Very low	30.1	Very low	193 Å²	193	154.4 Å²	154.4	85%	0.846	81%	0.807	S	S	*	*	G	3₁₀ helix	trans	-102.6	-0.9	-177.1	-113.5	-84.4	0	0	0	115.5
12	C	27.7	Very low	29	Very low	123 Å²	123	153.4 Å²	153.4	83%	0.831	79%	0.785	S	S	*	*	S	Bend	trans	-112.6	27.7	178	-74	0	0	0	0	113.9
13	V	28.8	Very low	28.9	Very low	113 Å²	113	154.9 Å²	154.9	69%	0.685	79%	0.79	S	S	*	*	S	Bend	trans	-112.3	-19.4	-176.4	177.6	0	0	0	0	113.7
14	N	28.5	Very low	28.6	Very low	152 Å²	152	154.5 Å²	154.5	81%	0.813	79%	0.788	S	S	*	*			trans	-108.3	83.5	-179.3	-78.1	11.3	0	0	0	112.6
15	Q	26.2	Very low	28.1	Very low	194 Å²	194	158.7 Å²	158.7	91%	0.907	79%	0.792	S	S	*	*			trans	-171.3	91.9	146.4	-110.2	173.8	3.7	0	0	111.4
16	R	25.4	Very low	27.6	Very low	233 Å²	233	156.2 Å²	156.2	88%	0.879	80%	0.8	S	S	*	*			trans	-141.2	137.2	147	-73.4	-168.2	-178.8	178.4	0.4	106.8
17	P	26.7	Very low	27	Very low	127 Å²	127	151.4 Å²	151.4	83%	0.825	80%	0.798	S	S	*	*			trans	-74.1	148.8	174.5	31.4	-32.8	0	0	0	110.4
18	D	24.9	Very low	26.7	Very low	151 Å²	151	150.4 Å²	150.4	81%	0.807	80%	0.802	S	S	*	*			trans	-75.2	138.7	177.8	-52.8	-77.1	0	0	0	111.3
19	E	26.3	Very low	26.4	Very low	196 Å²	196	147.3 Å²	147.3	92%	0.916	80%	0.804	S	S	*	*			trans	-116	112.8	152.3	-79.3	-168.4	153.7	0	0	107.4
20	E	27.6	Very low	26.1	Very low	178 Å²	178	146.6 Å²	146.6	83%	0.832	81%	0.81	S	S	*	*			trans	-76.7	146.3	-178.5	-70.1	-175.2	124.3	0	0	111.8	V22	E20-V22 PolarHBondContact O-N 3.32Å
21	V	25.1	Very low	26.4	Very low	133 Å²	133	142.9 Å²	142.9	81%	0.806	81%	0.81	S	S	*	*			trans	-73.9	104.9	172.6	176.6	0	0	0	0	109.1	V23	V21-V23 HydrophobicContact CG1-CG2 4.27Å; V21-V23 PolarHBondContact O-N 2.95Å
22	V	25.3	Very low	26.3	Very low	130 Å²	130	141.7 Å²	141.7	79%	0.788	81%	0.809	S	S	*	*			trans	-84.7	104.8	167.3	-178.9	0	0	0	0	109.3	E20	E20-V22 PolarHBondContact O-N 3.32Å
23	V	30.9	Very low	26.2	Very low	125 Å²	125	143.3 Å²	143.3	76%	0.758	81%	0.809	S	S	*	*			trans	-86	120.4	155.1	174.9	0	0	0	0	106.6	V21	V21-V23 HydrophobicContact CG1-CG2 4.27Å; V21-V23 PolarHBondContact O-N 2.95Å
24	D	24.1	Very low	26.2	Very low	128 Å²	128	143.7 Å²	143.7	68%	0.684	81%	0.806	S	S	*	*			trans	-151.5	169.4	154	-140	-11.2	0	0	0	114.8
25	Q	24	Very low	26.2	Very low	175 Å²	175	145.7 Å²	145.7	82%	0.818	81%	0.81	S	S	*	*			trans	-89.9	169.6	-157.2	-62	158.4	41.4	0	0	112.9
26	G	24.2	Very low	26.2	Very low	85 Å²	85	145 Å²	145	88%	0.876	80%	0.801	S	S	*	*			trans	-70.6	144	179.7	0	0	0	0	0	113.5
27	G	21.9	Very low	26.3	Very low	68 Å²	68	142.5 Å²	142.5	70%	0.701	80%	0.799	S	S	*	*			trans	179.7	88.3	177.5	0	0	0	0	0	115.1
28	T	24.9	Very low	26.4	Very low	133 Å²	133	146.1 Å²	146.1	82%	0.816	80%	0.802	S	S	*	*			trans	33.7	120.7	147.8	54.3	0	0	0	0	121.9
29	S	27.5	Very low	26.8	Very low	116 Å²	116	148.3 Å²	148.3	81%	0.811	81%	0.807	S	S	*	*			trans	61.8	124	138.3	67.2	0	0	0	0	121.4
30	S	24.1	Very low	26.9	Very low	119 Å²	119	146.3 Å²	146.3	83%	0.832	80%	0.798	S	S	*	*				-159.1	147.4	114.5	45.7	0	0	0	0	111.3
31	V	33.1	Very low	27	Very low	129 Å²	129	144.9 Å²	144.9	78%	0.782	80%	0.795	S	S	*	*			trans	-91	130.1	178.2	172	0	0	0	0	109.1
32	M	25.1	Very low	27.3	Very low	167 Å²	167	147.7 Å²	147.7	82%	0.823	80%	0.8	S	S	*	*			trans	-126.7	117.6	161.4	-90.2	179.1	60.8	0	0	110
33	N	26.7	Very low	27.7	Very low	157 Å²	157	144.3 Å²	144.3	84%	0.84	79%	0.791	S	S	*	*			trans	-68.9	126.6	173.5	-74	-43.5	0	0	0	110
34	I	27.7	Very low	27.9	Very low	121 Å²	121	146.9 Å²	146.9	62%	0.621	79%	0.794	S	S	*	*			trans	-127.8	123.6	161.8	-58.3	-179.8	0	0	0	106.8	Y36	I34-Y36 HydrophobicContact CB-CE2 4.33Å; I34-Y36 HydrophobicContact CG2-CD2 4.25Å; I34-Y36 HydrophobicContact CG2-CE2 3.81Å
35	H	28	Very low	28.4	Very low	194 Å²	194	152.3 Å²	152.3	90%	0.898	81%	0.805	S	S	*	*			trans	-69	129.5	176.4	-111.8	-75.1	0	0	0	109.6
36	Y	27.4	Very low	29.4	Very low	179 Å²	179	146.7 Å²	146.7	70%	0.702	78%	0.783	S	S	*	*			trans	-118.1	143.5	167.1	-85.2	-88.6	0	0	0	110.5	I34	I34-Y36 HydrophobicContact CB-CE2 4.33Å; I34-Y36 HydrophobicContact CG2-CD2 4.25Å; I34-Y36 HydrophobicContact CG2-CE2 3.81Å
37	E	27.2	Very low	30.5	Very low	182 Å²	182	146 Å²	146	85%	0.85	76%	0.759	S	S	*	*			trans	-77.1	166	178	-68.5	-178.1	128.7	0	0	111.6	E39	E37-E39 PolarHBondContact O-N 3.38Å
38	K	28.6	Very low	31.9	Very low	202 Å²	202	144.7 Å²	144.7	88%	0.878	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	2.1	-156.2	-130.1	-180	-177.6	-175.6	0	115.8
39	E	33.2	Very low	33.3	Very low	197 Å²	197	138.6 Å²	138.6	92%	0.921	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	-8.8	-168.4	-67.3	-173.2	151.9	0	0	115.2	E37	E37-E39 PolarHBondContact O-N 3.38Å
40	E	28.6	Very low	34.1	Very low	154 Å²	154	133.4 Å²	133.4	72%	0.72	66%	0.661	S	S	*	*	S	Bend	trans	-97.4	4.1	177.2	-67.6	-170	142	0	0	114.4	E42	E40-E42 PolarHBondContact O-N 3.32Å
41	L	29.5	Very low	35.1	Very low	148 Å²	148	129.1 Å²	129.1	78%	0.775	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-7.4	-163	-143.7	78.9	0	0	0	116.3
42	E	32.6	Very low	35.2	Very low	192 Å²	192	129.3 Å²	129.3	90%	0.897	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-15.2	-176.1	-66.2	-168	146.4	0	0	114.4	E40 H44	E40-E42 PolarHBondContact O-N 3.32Å; E42-H44 PolarHBondContact O-N 2.87Å
43	G	33.2	Very low	35.8	Very low	59 Å²	59	124.4 Å²	124.4	61%	0.608	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-14.8	-173.9	0	0	0	0	0	116.8
44	H	34.4	Very low	36.1	Very low	179 Å²	179	118.2 Å²	118.2	83%	0.829	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	22.1	-161	-80.9	-63.7	0	0	0	116.6	E42	E42-H44 PolarHBondContact O-N 2.87Å
45	R	35.2	Very low	36.2	Very low	243 Å²	243	120.1 Å²	120.1	92%	0.917	56%	0.56	S	S	*	*			trans	-134.5	14.8	-177.9	-73.9	-170	171	-176.7	-2.1	116.8
46	T	45.1	Very low	36	Very low	56 Å²	56	114.7 Å²	114.7	34%	0.344	54%	0.535	S	S	.	.			trans	-87.5	110.8	174.6	43.7	0	0	0	0	111.5
47	L	46.5	Very low	35.9	Very low	72 Å²	72	107.2 Å²	107.2	38%	0.377	51%	0.509	S	S	.	.			trans	-81.4	126.3	163.9	-71	171.5	0	0	0	108.4	L156 V379 P382	L47-L156 HydrophobicContact CB-CB 3.99Å; L47-L156 HydrophobicContact CB-CD1 4.42Å; L47-L156 WeakPolarHBondContact O-CB 3.45Å; L47-L156 PolarHBondContact O-N 3.24Å; L47-V379 HydrophobicContact CB-CG1 4.48Å; L47-V379 HydrophobicContact CD2-CG1 4.16Å; L47-P382 HydrophobicContact CD2-CB 4.49Å; L47-P382 HydrophobicContact CD2-CG 3.86Å
48	F	52.3	Low	36.3	Very low	40 Å²	40	103.5 Å²	103.5	18%	0.175	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	143.7	174.9	-66.5	-84.7	0	0	0	110.2	L154 V379 L380 P387	F48-L154 CarbonylContact C-O 3.49Å; F48-L154 WeakPolarHBondContact CA-O 3.38Å; F48-V379 WeakPolarHBondContact O-CA 3.46Å; F48-L380 HydrophobicContact CB-CB 4.45Å; F48-L380 PolarHBondContact O-N 3.46Å; F48-P387 HydrophobicContact CD2-CG 4.42Å; F48-P387 HydrophobicContact CE1-CB 4.17Å; F48-P387 HydrophobicContact CE1-CG 4.16Å; F48-P387 HydrophobicContact CE2-CG 3.72Å; F48-P387 HydrophobicContact CZ-CB 4.05Å; F48-P387 HydrophobicContact CZ-CG 3.56Å
49	V	52.6	Low	36.2	Very low	5 Å²	5	102.4 Å²	102.4	3%	0.03	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	112.4	-176	-126.2	0	0	0	0	108.3	L154 L156 L159 V377 T378 V379	V49-L154 PolarHBondContact N-O 2.61Å; V49-L154 PolarHBondContact O-N 2.87Å; V49-L154 VanDerWaalsContact O-N 3.07Å; V49-L156 HydrophobicContact CG1-CD1 4.45Å; V49-L156 HydrophobicContact CG2-CB 3.57Å; V49-L156 HydrophobicContact CG2-CD1 4.02Å; V49-L156 HydrophobicContact CG2-CG 4.04Å; V49-L159 HydrophobicContact CG2-CD1 4Å; V49-V377 HydrophobicContact CB-CB 4.24Å; V49-V377 HydrophobicContact CB-CG1 3.58Å; V49-V377 HydrophobicContact CG1-CB 3.59Å; V49-V377 HydrophobicContact CG1-CG1 3.44Å; V49-V377 VanDerWaalsContact CG1-CG1 3.44Å; V49-T378 CarbonylContact C-O 3.6Å; V49-T378 WeakPolarHBondContact CA-O 3.4Å; V49-V379 HydrophobicContact CG1-CB 4.5Å; V49-V379 HydrophobicContact CG1-CG2 3.96Å
50	G	45.9	Very low	36	Very low	6 Å²	6	101.9 Å²	101.9	6%	0.062	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	131.2	174.5	0	0	0	0	0	110.5	R52 V377 T378	G50-R52 PolarHBondContact O-N 3.17Å; G50-V377 VanDerWaalsContact O-CG1 3.29Å; G50-V377 WeakPolarHBondContact O-CG1 3.44Å; G50-T378 PolarHBondContact N-O 3.05Å; G50-T378 PolarHBondContact O-N 3.01Å; G50-T378 PolarHBondContact O-OG1 3.43Å
51	V	45.3	Very low	36	Very low	29 Å²	29	103.1 Å²	103.1	18%	0.176	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-65	118.6	179.7	-176.7	0	0	0	0	110.5	A152 T346 F373	V51-A152 HydrophobicContact CG2-CB 4.48Å; V51-T346 HydrophobicContact CG2-CG2 3.74Å; V51-F373 HydrophobicContact CG1-CE2 4.39Å; V51-F373 HydrophobicContact CG2-CZ 4.13Å
52	R	34.9	Very low	35.9	Very low	134 Å²	134	105.2 Å²	105.2	51%	0.506	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-82.5	122.3	-174.1	-169.5	-169.5	-167.7	-178.7	10.2	111.2	G50 P54 Q376 T378	G50-R52 PolarHBondContact O-N 3.17Å; R52-P54 VanDerWaalsContact O-CD 3.3Å; R52-P54 WeakPolarHBondContact O-CD 3.34Å; R52-Q376 WeakPolarHBondContact CB-O 3.33Å; R52-Q376 WeakPolarHBondContact CD-O 3.27Å; R52-T378 HydrophobicContact CB-CG2 4.14Å; R52-T378 HydrophobicContact CG-CG2 3.97Å
53	M	37.8	Very low	35.5	Very low	63 Å²	63	101.8 Å²	101.8	31%	0.31	48%	0.482	S	S	.	.			trans	-86.1	109.6	167.3	-73.6	-69.9	177.3	0	0	110.6	F135 P394 V397 P398	M53-F135 HydrophobicContact CE-CE1 4.4Å; M53-P394 HydrophobicContact CG-CG 4.4Å; M53-V397 HydrophobicContact CE-CG1 4.13Å; M53-V397 HydrophobicContact CE-CG2 4.16Å; M53-V397 HydrophobicContact SD-CG1 3.79Å; M53-V397 HydrophobicContact SD-CG2 4.44Å; M53-P398 HydrophobicContact CB-CG 4Å
54	P	31.4	Very low	35.4	Very low	27 Å²	27	108.2 Å²	108.2	18%	0.175	50%	0.495	C	S	.	.			trans	-82.6	141.1	-168.7	32.1	-35.6	0	0	0	114.1	R52 Q56 P398	R52-P54 VanDerWaalsContact O-CD 3.3Å; R52-P54 WeakPolarHBondContact O-CD 3.34Å; P54-Q56 PolarHBondContact O-N 3.11Å; P54-P398 WeakPolarHBondContact O-CB 3.43Å; P54-P398 WeakPolarHBondContact O-CG 3.25Å
55	R	29.7	Very low	35	Very low	162 Å²	162	103.1 Å²	103.1	61%	0.611	49%	0.491	S	S	*	.			trans	-62.1	128	-170.3	-63.4	164.8	77.7	107.4	-6.7	114.5	K998	R55-K998 PolarHBondContact O-NZ 3.35Å
56	Q	24.8	Very low	34.6	Very low	79 Å²	79	96.9 Å²	96.9	37%	0.369	49%	0.485	S	S	.	.			trans	-10.3	134.6	169.3	-74.3	173.4	-27.6	0	0	118	P54 E994 K998	P54-Q56 PolarHBondContact O-N 3.11Å; Q56-E994 PolarHBondContact NE2-OE1 2.96Å; Q56-E994 PolarHBondContact NE2-OE2 3.3Å; Q56-E994 VanDerWaalsContact OE1-CD 3.28Å; Q56-E994 PolarHBondContact OE1-OE1 3.31Å; Q56-E994 PolarHBondContact OE1-OE2 3.19Å; Q56-K998 WeakPolarHBondContact O-CD 3.44Å; Q56-K998 WeakPolarHBondContact O-CE 3.43Å; Q56-K998 PolarHBondContact O-NZ 3.17Å
57	S	25.4	Very low	34.1	Very low	22 Å²	22	105.7 Å²	105.7	15%	0.154	51%	0.512	C	S	.	.			trans	-153.4	153.5	135.3	65.6	0	0	0	0	111.5	S399 K402	S57-S399 PolarHBondContact O-OG 2.67Å; S57-K402 WeakPolarHBondContact OG-CE 3.2Å; S57-K402 VanDerWaalsContact OG-CG 3.22Å; S57-K402 WeakPolarHBondContact OG-CG 3.24Å
58	H	34.8	Very low	33.3	Very low	105 Å²	105	110.9 Å²	110.9	49%	0.486	53%	0.534	S	S	.	.			trans	-97.9	133.8	-177.9	-78.5	-55.7	0	0	0	114.7	E994	H58-E994 IonicContact CD2-OE2 2.61Å; H58-E994 IonicContact NE2-OE2 3.65Å; H58-E994 PolarHBondContact NE2-OE2 2.72Å
59	R	27.9	Very low	32.2	Very low	179 Å²	179	120.4 Å²	120.4	68%	0.675	57%	0.569	S	S	*	*			trans	-2.6	137.3	149.8	-65.1	-179.9	173.1	179.2	-6.9	118.9	E401	R59-E401 WeakPolarHBondContact CG-OE2 3.21Å; R59-E401 IonicContact CZ-OE1 2.65Å; R59-E401 IonicContact NE-OE1 3.38Å; R59-E401 PolarHBondContact NE-OE1 3.46Å; R59-E401 IonicContact NE-OE2 3.63Å; R59-E401 PolarHBondContact NE-OE2 2.95Å; R59-E401 IonicContact NH2-OE1 3.75Å; R59-E401 PolarHBondContact NH2-OE1 3.17Å
60	H	27.4	Very low	31	Very low	185 Å²	185	130.3 Å²	130.3	86%	0.856	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-94.4	145.6	145.5	-94.9	-83.1	0	0	0	110.7
61	H	28.3	Very low	30.2	Very low	181 Å²	181	139.5 Å²	139.5	84%	0.838	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-76.1	135.9	168.3	-78	-89.8	0	0	0	110.8	P63	H61-P63 WeakPolarHBondContact O-CD 3.43Å
62	K	27.5	Very low	29.4	Very low	191 Å²	191	145.5 Å²	145.5	83%	0.83	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-65.3	123	165.6	-73.6	179.8	176.1	176.3	0	109.3
63	P	26.1	Very low	29.2	Very low	121 Å²	121	148.8 Å²	148.8	79%	0.786	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-78.3	150.2	161.8	29.6	-25.9	0	0	0	110.4	H61 G65	H61-P63 WeakPolarHBondContact O-CD 3.43Å; P63-G65 PolarHBondContact O-N 3.08Å
64	H	29.3	Very low	28.8	Very low	193 Å²	193	157.2 Å²	157.2	89%	0.894	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-60	129	-176	-146.3	-74.6	0	0	0	111.8	S66	H64-S66 PolarHBondContact O-N 2.78Å
65	G	26.1	Very low	28.7	Very low	72 Å²	72	161.2 Å²	161.2	74%	0.742	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-68.2	126.7	177.6	0	0	0	0	0	112	P63	P63-G65 PolarHBondContact O-N 3.08Å
66	S	27.6	Very low	28.5	Very low	113 Å²	113	157.1 Å²	157.1	79%	0.79	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-100.2	128.6	164.4	68.1	0	0	0	0	109.9	H64 H68	H64-S66 PolarHBondContact O-N 2.78Å; S66-H68 PolarHBondContact O-N 2.91Å
67	R	34.2	Very low	28.7	Very low	241 Å²	241	159.1 Å²	159.1	91%	0.909	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-68.8	116	177	-88.7	173.5	151.7	170.8	-6.3	110.3
68	H	28.9	Very low	28.8	Very low	180 Å²	180	166 Å²	166	83%	0.833	83%	0.826	S	S	*	*			trans	-146.8	87.6	152.6	-98.6	-58.4	0	0	0	114.5	S66	S66-H68 PolarHBondContact O-N 2.91Å
69	R	29.6	Very low	28.5	Very low	240 Å²	240	167 Å²	167	91%	0.906	84%	0.84	S	S	*	*			trans	39.6	83.6	131.1	-149.5	176.3	-163.9	174	5.1	117.1
70	K	28.5	Very low	28.8	Very low	214 Å²	214	164.6 Å²	164.6	93%	0.93	85%	0.845	S	S	*	*			trans	-74.5	141.9	160.5	-135	171.9	-174.5	178.2	0	109.3
71	K	28.3	Very low	28.9	Very low	199 Å²	199	164.6 Å²	164.6	87%	0.865	85%	0.846	S	S	*	*			trans	-106.2	134.4	-173	-170	178.8	-174.9	177.8	0	109.9
72	D	28.9	Very low	28.9	Very low	154 Å²	154	165.7 Å²	165.7	82%	0.824	85%	0.851	S	S	*	*			trans	-56.5	142.7	-175.6	-60.7	-70.6	0	0	0	114.2
73	K	29.9	Very low	29.3	Very low	203 Å²	203	161.7 Å²	161.7	88%	0.883	85%	0.847	S	S	*	*			trans	-151.6	97.4	152.1	-114.6	179.5	-176	-175.9	0	112.2
74	R	29.8	Very low	29.7	Very low	241 Å²	241	164.8 Å²	164.8	91%	0.909	85%	0.851	S	S	*	*			trans	54	119.7	149.7	-67	-175.9	173.6	178.2	-3.6	119
75	A	29.7	Very low	30.3	Very low	111 Å²	111	161 Å²	161	92%	0.917	85%	0.847	S	S	*	*			trans	-60.1	146	161.2	0	0	0	0	0	112.5
76	G	25.7	Very low	31.6	Very low	76 Å²	76	164 Å²	164	78%	0.784	85%	0.846	S	S	*	*			trans	-140.7	115.8	158.2	0	0	0	0	0	107
77	S	28.6	Very low	33.7	Very low	120 Å²	120	161.6 Å²	161.6	84%	0.839	83%	0.827	S	S	*	*			trans	-78.6	122.8	-178.2	51.7	0	0	0	0	110.9
78	I	27.2	Very low	35.5	Very low	167 Å²	167	152.2 Å²	152.2	86%	0.856	80%	0.797	S	S	*	*			trans	-128.3	118.7	156.7	-61.1	-178.7	0	0	0	107.1
79	T	28.5	Very low	37.5	Very low	125 Å²	125	145 Å²	145	77%	0.767	77%	0.766	S	S	*	*			trans	-77	137.9	176.5	10.3	0	0	0	0	111.1
80	T	34.3	Very low	39.6	Very low	129 Å²	129	137.9 Å²	137.9	79%	0.791	74%	0.743	S	S	*	*			trans	46.9	88.5	140.4	-35.5	0	0	0	0	118.3
81	Q	30.1	Very low	41.9	Very low	185 Å²	185	132 Å²	132	86%	0.864	72%	0.715	S	S	*	*			trans	-171.2	94.5	137.9	-108	170.3	13.1	0	0	110.5
82	Q	28.9	Very low	44.3	Very low	204 Å²	204	122.6 Å²	122.6	95%	0.953	68%	0.675	S	S	*	*			trans	-139.9	94.7	158.7	-95.4	-175.5	-37.2	0	0	107.6
83	S	36	Very low	46.6	Very low	107 Å²	107	117.1 Å²	117.1	75%	0.748	64%	0.644	S	S	*	*			trans	-140.5	72.8	175.8	59.3	0	0	0	0	108.5
84	E	33.5	Very low	48.9	Very low	186 Å²	186	114.7 Å²	114.7	87%	0.869	63%	0.634	S	S	*	*	S	Bend	trans	-161.3	110.3	163.7	-113.7	160.5	-158.4	0	0	110.4
85	S	40.9	Very low	51.2	Low	115 Å²	115	103.9 Å²	103.9	80%	0.804	59%	0.594	S	S	*	*			trans	49.9	70.2	168.1	69.3	0	0	0	0	119.8
86	D	53.6	Low	53.3	Low	134 Å²	134	99.6 Å²	99.6	72%	0.717	56%	0.555	S	S	*	*			trans	-76.9	140.3	143.2	-72.7	-34.7	0	0	0	108.8
87	T	73.3	Confident	55.1	Low	63 Å²	63	98.6 Å²	98.6	39%	0.387	55%	0.545	S	S	.	.			trans	-74.8	153.5	174	71.2	0	0	0	0	110.7	S89 Q90 R91	T87-S89 PolarHBondContact O-N 3.47Å; T87-Q90 PolarHBondContact O-N 3.28Å; T87-Q90 VanDerWaalsContact OG1-CG 3.32Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.49Å; T87-Q90 PolarHBondContact OG1-N 2.72Å; T87-Q90 PolarHBondContact OG1-OE1 3.46Å; T87-R91 PolarHBondContact O-N 2.7Å
88	P	71	Confident	56.9	Low	44 Å²	44	95.9 Å²	95.9	29%	0.286	52%	0.524	S	S	.	.	H	α-helix	trans	-51	-42.7	176.1	-27.8	35.5	0	0	0	112.4	Q90 R91 V92 D371	P88-Q90 PolarHBondContact O-N 2.71Å; P88-R91 PolarHBondContact O-N 2.84Å; P88-V92 WeakPolarHBondContact O-CB 3.44Å; P88-V92 WeakPolarHBondContact O-CG2 3.48Å; P88-V92 PolarHBondContact O-N 2.89Å; P88-D371 HydrophobicContact CB-CB 3.97Å; P88-D371 HydrophobicContact CG-CB 4.03Å
89	S	71.1	Confident	58.2	Low	28 Å²	28	96.6 Å²	96.6	20%	0.196	52%	0.523	C	S	.	.	H	α-helix	trans	-58.5	-42.2	175.6	-37.1	0	0	0	0	114	T87 Q93 E372	T87-S89 PolarHBondContact O-N 3.47Å; S89-Q93 WeakPolarHBondContact O-CB 3.44Å; S89-Q93 WeakPolarHBondContact O-CG 3.46Å; S89-Q93 PolarHBondContact O-N 3.27Å; S89-E372 WeakPolarHBondContact CA-OE2 3.27Å; S89-E372 WeakPolarHBondContact CB-OE2 3.45Å; S89-E372 PolarHBondContact OG-OE2 3.34Å
90	Q	74.4	Confident	59.4	Low	90 Å²	90	98.9 Å²	98.9	42%	0.421	53%	0.525	S	S	.	.	H	α-helix	trans	-68.4	-42.2	178.9	-74.1	166.7	-22.2	0	0	110.9	T87 P88 Q93 F94	T87-Q90 PolarHBondContact O-N 3.28Å; T87-Q90 VanDerWaalsContact OG1-CG 3.32Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.49Å; T87-Q90 PolarHBondContact OG1-N 2.72Å; T87-Q90 PolarHBondContact OG1-OE1 3.46Å; P88-Q90 PolarHBondContact O-N 2.71Å; Q90-Q93 PolarHBondContact O-N 3.36Å; Q90-F94 PolarHBondContact O-N 3.38Å
91	R	75.6	Confident	60.5	Low	90 Å²	90	97.5 Å²	97.5	34%	0.34	51%	0.513	S	S	.	.	H	α-helix	trans	-63.2	-44.5	175.4	-176.6	172.8	176.4	161.1	3.5	111.9	T87 P88 F94 I95 S364 D365 A368	T87-R91 PolarHBondContact O-N 2.7Å; P88-R91 PolarHBondContact O-N 2.84Å; R91-F94 WeakPolarHBondContact O-CB 3.27Å; R91-F94 PolarHBondContact O-N 3.09Å; R91-I95 HydrophobicContact CG-CD1 4.13Å; R91-I95 WeakPolarHBondContact O-CD1 3.28Å; R91-I95 WeakPolarHBondContact O-CG1 3.47Å; R91-I95 PolarHBondContact O-N 3Å; R91-S364 PolarHBondContact NH2-OG 3.04Å; R91-D365 IonicContact CZ-OD1 2.78Å; R91-D365 IonicContact NE-OD1 3.17Å; R91-D365 PolarHBondContact NE-OD1 2.82Å; R91-D365 IonicContact NH2-OD1 3.38Å; R91-D365 PolarHBondContact NH2-OD1 3.04Å; R91-A368 HydrophobicContact CG-CB 4.27Å
92	V	78.4	Confident	61.8	Low	2 Å²	2	93.4 Å²	93.4	1%	0.012	51%	0.511	C	S	.	.	H	α-helix	trans	-61.5	-44	174.6	166.7	0	0	0	0	111.4	P88 F94 I95 L96 I352 V356 A368 E372	P88-V92 WeakPolarHBondContact O-CB 3.44Å; P88-V92 WeakPolarHBondContact O-CG2 3.48Å; P88-V92 PolarHBondContact O-N 2.89Å; V92-F94 VanDerWaalsContact C-N 3.32Å; V92-F94 PolarHBondContact O-N 3.34Å; V92-I95 PolarHBondContact O-N 3.39Å; V92-L96 HydrophobicContact CG1-CD1 3.89Å; V92-L96 HydrophobicContact CG1-CG 4.37Å; V92-L96 WeakPolarHBondContact O-CB 3.31Å; V92-L96 VanDerWaalsContact O-CG 3.26Å; V92-L96 WeakPolarHBondContact O-CG 3.49Å; V92-L96 PolarHBondContact O-N 3.45Å; V92-I352 HydrophobicContact CG1-CG2 3.53Å; V92-V356 HydrophobicContact CG1-CG2 3.82Å; V92-V356 HydrophobicContact CG2-CG2 4.3Å; V92-A368 HydrophobicContact CG2-CB 4.21Å; V92-A368 WeakPolarHBondContact CG2-O 3.39Å; V92-E372 HydrophobicContact CG1-CG 4.37Å; V92-E372 HydrophobicContact CG2-CB 4.01Å; V92-E372 HydrophobicContact CG2-CG 4.43Å
93	Q	78.1	Confident	63.1	Low	39 Å²	39	90.1 Å²	90.1	18%	0.182	50%	0.496	C	S	.	.	H	α-helix	trans	-62.1	-37.5	175.1	-75.2	166.4	33.6	0	0	112.7	S89 Q90 G97	S89-Q93 WeakPolarHBondContact O-CB 3.44Å; S89-Q93 WeakPolarHBondContact O-CG 3.46Å; S89-Q93 PolarHBondContact O-N 3.27Å; Q90-Q93 PolarHBondContact O-N 3.36Å; Q93-G97 PolarHBondContact O-N 2.95Å
94	F	77.7	Confident	64.7	Low	153 Å²	153	87 Å²	87	67%	0.671	47%	0.469	S	S	*	.	H	α-helix	trans	-63.6	-48.2	174.4	179.2	-96.5	0	0	0	111.7	Q90 R91 V92 L96 G97 T98	Q90-F94 PolarHBondContact O-N 3.38Å; R91-F94 WeakPolarHBondContact O-CB 3.27Å; R91-F94 PolarHBondContact O-N 3.09Å; V92-F94 VanDerWaalsContact C-N 3.32Å; V92-F94 PolarHBondContact O-N 3.34Å; F94-L96 PolarHBondContact O-N 2.96Å; F94-G97 PolarHBondContact O-N 3.28Å; F94-T98 PolarHBondContact O-N 2.94Å
95	I	78.3	Confident	66.5	Low	14 Å²	14	80.6 Å²	80.6	7%	0.072	45%	0.448	C	S	.	.	H	α-helix	trans	-55.8	-50.6	175.4	-66.7	158.4	0	0	0	110.2	R91 V92 G97 T98 K359 D365	R91-I95 HydrophobicContact CG-CD1 4.13Å; R91-I95 WeakPolarHBondContact O-CD1 3.28Å; R91-I95 WeakPolarHBondContact O-CG1 3.47Å; R91-I95 PolarHBondContact O-N 3Å; V92-I95 PolarHBondContact O-N 3.39Å; I95-G97 VanDerWaalsContact C-N 3.3Å; I95-G97 PolarHBondContact O-N 3.22Å; I95-T98 PolarHBondContact O-N 2.99Å; I95-T98 PolarHBondContact O-OG1 2.8Å; I95-K359 HydrophobicContact CG2-CB 3.68Å; I95-K359 HydrophobicContact CG2-CD 4.48Å; I95-K359 VanDerWaalsContact O-CD 3.3Å; I95-K359 WeakPolarHBondContact O-CD 3.33Å; I95-D365 HydrophobicContact CD1-CB 3.78Å
96	L	74.2	Confident	68.1	Low	20 Å²	20	77.7 Å²	77.7	11%	0.105	43%	0.428	C	S	.	.	H	α-helix	trans	-63	-35.1	179.6	-66.6	174.5	0	0	0	112.9	V92 F94 I352 N355 V356 K359 K404	V92-L96 HydrophobicContact CG1-CD1 3.89Å; V92-L96 HydrophobicContact CG1-CG 4.37Å; V92-L96 WeakPolarHBondContact O-CB 3.31Å; V92-L96 VanDerWaalsContact O-CG 3.26Å; V92-L96 WeakPolarHBondContact O-CG 3.49Å; V92-L96 PolarHBondContact O-N 3.45Å; F94-L96 PolarHBondContact O-N 2.96Å; L96-I352 HydrophobicContact CD1-CG2 4.38Å; L96-N355 HydrophobicContact CD2-CB 3.42Å; L96-N355 VanDerWaalsContact CD2-CB 3.42Å; L96-V356 HydrophobicContact CD2-CG2 4.44Å; L96-K359 PolarHBondContact O-NZ 2.87Å; L96-K404 HydrophobicContact CD1-CB 4.28Å; L96-K404 HydrophobicContact CD1-CG 4.21Å
97	G	62.9	Low	69.4	Low	55 Å²	55	74.7 Å²	74.7	57%	0.567	41%	0.41	S	S	*	.	H	α-helix	trans	-78.6	-7.8	-177.8	0	0	0	0	0	116.5	Q93 F94 I95	Q93-G97 PolarHBondContact O-N 2.95Å; F94-G97 PolarHBondContact O-N 3.28Å; I95-G97 VanDerWaalsContact C-N 3.3Å; I95-G97 PolarHBondContact O-N 3.22Å
98	T	67.3	Low	69.9	Low	63 Å²	63	76.3 Å²	76.3	39%	0.387	41%	0.413	S	S	.	.	S	Bend	trans	-64.1	149.9	170	55.8	0	0	0	0	111.7	F94 I95 K359	F94-T98 PolarHBondContact O-N 2.94Å; I95-T98 PolarHBondContact O-N 2.99Å; I95-T98 PolarHBondContact O-OG1 2.8Å; T98-K359 PolarHBondContact O-NZ 2.91Å
99	E	53	Low	70.5	Confident	182 Å²	182	74.8 Å²	74.8	85%	0.85	40%	0.402	S	S	*	.			trans	-58.7	153.7	-177.4	-64.7	-165.1	154.1	0	0	112.3	D101	E99-D101 PolarHBondContact O-N 3.27Å; E99-D101 VanDerWaalsContact O-N 3.08Å
100	E	54.1	Low	71.4	Confident	173 Å²	173	73.6 Å²	73.6	81%	0.808	39%	0.393	S	S	*	.			trans	-78	91.1	-174.7	-69.4	166.9	-172.2	0	0	110.5	A102	E100-A102 PolarHBondContact O-N 3.3Å
101	D	57.9	Low	72.1	Confident	100 Å²	100	69.3 Å²	69.3	54%	0.535	37%	0.373	S	S	.	.			trans	-61.1	124	164.5	-74.7	-39	0	0	0	109.2	E99 E103 H104	E99-D101 PolarHBondContact O-N 3.27Å; E99-D101 VanDerWaalsContact O-N 3.08Å; D101-E103 PolarHBondContact O-N 2.86Å; D101-E103 VanDerWaalsContact O-N 3.13Å; D101-H104 PolarHBondContact O-N 3.24Å
102	A	56.5	Low	72.9	Confident	100 Å²	100	65 Å²	65	83%	0.826	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-17.6	-171.8	0	0	0	0	0	114.3	E100	E100-A102 PolarHBondContact O-N 3.3Å
103	E	58.2	Low	73.5	Confident	135 Å²	135	65 Å²	65	63%	0.631	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-11.8	175.8	-63.4	-173.5	164.3	0	0	113.5	D101 R322	D101-E103 PolarHBondContact O-N 2.86Å; D101-E103 VanDerWaalsContact O-N 3.13Å; E103-R322 PolarHBondContact O-NH2 3.13Å
104	H	68.1	Low	74.1	Confident	40 Å²	40	63.1 Å²	63.1	19%	0.185	35%	0.348	C	S	.	.	S	Bend	trans	-124.9	28.2	-177.5	-60.8	93.6	0	0	0	112.3	D101 D174 Y358	D101-H104 PolarHBondContact O-N 3.24Å; H104-D174 IonicContact CD2-OD1 3.98Å; H104-D174 IonicContact NE2-OD1 3.63Å; H104-D174 PolarHBondContact NE2-OD1 2.82Å; H104-D174 IonicContact NE2-OD2 3.51Å; H104-Y358 PolarHBondContact CD2-O 3.18Å
105	A	71.7	Confident	74.7	Confident	52 Å²	52	58.5 Å²	58.5	43%	0.43	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-60.8	141	166.8	0	0	0	0	0	110.1	H107	A105-H107 PolarHBondContact O-CD2 2.68Å
106	S	75	Confident	75.3	Confident	55 Å²	55	58.1 Å²	58.1	39%	0.385	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-92.3	129.1	-176.9	51.9	0	0	0	0	112.8	N355 Y358	S106-N355 WeakPolarHBondContact CB-OD1 3.29Å; S106-N355 PolarHBondContact OG-OD1 2.81Å; S106-Y358 VanDerWaalsContact CB-CD2 3.5Å
107	H	81.6	Confident	75.8	Confident	71 Å²	71	60.4 Å²	60.4	33%	0.329	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-102.9	158.2	176.9	-68	-100.5	0	0	0	111.2	A105 G281 E283 H354 Y358	A105-H107 PolarHBondContact O-CD2 2.68Å; H107-G281 PolarHBondContact ND1-O 3.46Å; H107-E283 HydrophobicContact CB-CB 4.41Å; H107-E283 HydrophobicContact CB-CG 3.89Å; H107-H354 PolarHBondContact O-ND1 3.22Å; H107-Y358 PolarHBondContact N-OH 3.19Å
108	E	81.9	Confident	76.7	Confident	97 Å²	97	59.1 Å²	59.1	45%	0.453	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-66.1	135.1	167.2	-72.9	-166	-137.4	0	0	108.6	P279 A282 E283	E108-P279 HydrophobicContact CB-CB 4.34Å; E108-P279 HydrophobicContact CB-CG 3.87Å; E108-P279 VanDerWaalsContact CD-CG 3.5Å; E108-P279 HydrophobicContact CG-CG 4.19Å; E108-P279 VanDerWaalsContact OE2-CG 3.25Å; E108-P279 WeakPolarHBondContact OE2-CG 3.31Å; E108-A282 WeakPolarHBondContact O-CA 3.48Å; E108-A282 WeakPolarHBondContact O-CB 3.38Å; E108-E283 PolarHBondContact O-N 3.03Å
109	L	84.4	Confident	77.1	Confident	12 Å²	12	59.8 Å²	59.8	6%	0.063	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	138	-175.2	-72.1	174.9	0	0	0	111.7	E283 F323 M348 H354 Y358	L109-E283 CarbonylContact C-O 3.54Å; L109-E283 WeakPolarHBondContact CA-O 3.31Å; L109-E283 HydrophobicContact CD2-CB 4.08Å; L109-F323 HydrophobicContact CD1-CD2 4.19Å; L109-F323 HydrophobicContact CD1-CE2 4.15Å; L109-F323 HydrophobicContact CD2-CD2 4.04Å; L109-F323 HydrophobicContact CD2-CE2 4.16Å; L109-M348 HydrophobicContact CD1-CE 3.86Å; L109-H354 HydrophobicContact CD1-CB 3.85Å; L109-Y358 WeakPolarHBondContact CD2-OH 3.35Å
110	F	89.3	Confident	77.3	Confident	2 Å²	2	58 Å²	58	1%	0.009	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.1	160.5	174.5	-109.4	0	0	0	108.4	E112 R131 L133 F274 E283 A284 S285 I319	F110-E112 HydrophobicContact CE1-CB 4.23Å; F110-E112 WeakPolarHBondContact CE1-OE2 3.19Å; F110-R131 HydrophobicContact CE2-CB 4.36Å; F110-R131 HydrophobicContact CZ-CB 4.37Å; F110-L133 HydrophobicContact CD2-CD1 4.42Å; F110-F274 HydrophobicContact CE2-CE1 4.01Å; F110-F274 AromaticContact CE2-CZ 3.96Å; F110-F274 HydrophobicContact CE2-CZ 3.96Å; F110-F274 HydrophobicContact CZ-CE1 4.2Å; F110-F274 HydrophobicContact CZ-CZ 4.49Å; F110-E283 PolarHBondContact N-O 3.38Å; F110-A284 CarbonylContact O-C 3.57Å; F110-A284 VanDerWaalsContact O-CA 3.3Å; F110-A284 WeakPolarHBondContact O-CA 3.49Å; F110-S285 PolarHBondContact O-N 3.41Å; F110-I319 HydrophobicContact CB-CD1 4.22Å; F110-I319 HydrophobicContact CD1-CD1 4.15Å; F110-I319 HydrophobicContact CG-CD1 4.31Å
111	T	89.8	Confident	77.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.1	-175.5	-48.7	0	0	0	0	110.6	R131 W132 S285 V287 A345	T111-R131 CarbonylContact O-C 3.58Å; T111-R131 VanDerWaalsContact O-CA 3.3Å; T111-R131 WeakPolarHBondContact O-CA 3.35Å; T111-R131 WeakPolarHBondContact O-CB 3.33Å; T111-W132 HydrophobicContact CG2-CE3 4.25Å; T111-W132 PolarHBondContact N-O 2.92Å; T111-W132 PolarHBondContact O-N 3.5Å; T111-S285 VanDerWaalsContact CA-O 3.31Å; T111-S285 WeakPolarHBondContact CA-O 3.3Å; T111-S285 WeakPolarHBondContact CG2-O 3.48Å; T111-V287 HydrophobicContact CG2-CG2 3.99Å; T111-A345 HydrophobicContact CG2-CB 3.67Å
112	E	91.4	Very high	77.8	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131	-173.8	-168.2	169.2	179	0	0	108.8	F110 E128 H215 S285 V287 T315 E316	F110-E112 HydrophobicContact CE1-CB 4.23Å; F110-E112 WeakPolarHBondContact CE1-OE2 3.19Å; E112-E128 HydrophobicContact CG-CG 4.11Å; E112-H215 IonicContact OE1-CE1 3.71Å; E112-H215 PolarHBondContact OE1-CE1 3.24Å; E112-H215 IonicContact OE1-ND1 3.68Å; E112-S285 PolarHBondContact N-O 2.84Å; E112-S285 VanDerWaalsContact N-O 3.16Å; E112-V287 PolarHBondContact O-N 3.01Å; E112-T315 VanDerWaalsContact OE2-CA 3.28Å; E112-T315 WeakPolarHBondContact OE2-CA 3.33Å; E112-T315 WeakPolarHBondContact OE2-CB 3.21Å; E112-T315 WeakPolarHBondContact OE2-CG2 3.25Å; E112-E316 PolarHBondContact OE1-N 2.74Å; E112-E316 PolarHBondContact OE2-N 3.28Å
113	L	92.1	Very high	78.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.7	177.6	175	67.3	0	0	0	109.5	T129 A130 W132 V287 V289 R342	L113-T129 PolarHBondContact O-N 3.28Å; L113-A130 HydrophobicContact CB-CB 4.34Å; L113-A130 WeakPolarHBondContact CB-O 3.5Å; L113-A130 HydrophobicContact CD2-CB 4.21Å; L113-A130 PolarHBondContact N-O 3.11Å; L113-W132 HydrophobicContact CB-CH2 4.05Å; L113-W132 HydrophobicContact CB-CZ3 3.71Å; L113-W132 HydrophobicContact CD2-CH2 4.14Å; L113-V287 WeakPolarHBondContact CA-O 3.27Å; L113-V287 HydrophobicContact CD1-CB 3.98Å; L113-V287 HydrophobicContact CD1-CG1 3.65Å; L113-V289 HydrophobicContact CD1-CB 4.31Å; L113-V289 HydrophobicContact CD1-CG2 3.66Å; L113-R342 HydrophobicContact CD2-CB 4.41Å
114	D	91.4	Very high	79	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	140.4	175.1	-75.1	-41.8	0	0	0	111.2	W126 K127 E128 H213 V287 L288 V289	D114-W126 HydrophobicContact CB-CB 4.42Å; D114-W126 HydrophobicContact CB-CE3 3.82Å; D114-K127 WeakPolarHBondContact CA-O 3.43Å; D114-E128 VanDerWaalsContact OD1-CA 3.26Å; D114-E128 WeakPolarHBondContact OD1-CA 3.34Å; D114-E128 PolarHBondContact OD1-N 3.35Å; D114-H213 IonicContact OD2-CE1 2.84Å; D114-H213 PolarHBondContact OD2-CE1 2.92Å; D114-H213 IonicContact OD2-CG 3.17Å; D114-H213 IonicContact OD2-ND1 2.89Å; D114-H213 PolarHBondContact OD2-ND1 2.74Å; D114-V287 PolarHBondContact N-O 3.15Å; D114-L288 HydrophobicContact CB-CD2 3.81Å; D114-V289 PolarHBondContact O-N 2.84Å
115	E	90.3	Very high	79.8	Confident	56 Å²	56	55 Å²	55	26%	0.262	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.5	176.7	-79.7	168.8	-120.6	0	0	113.6	W126 K127 T129 V289 H338	E115-W126 CarbonylContact O-C 3.54Å; E115-W126 WeakPolarHBondContact O-CA 3.34Å; E115-K127 PolarHBondContact N-O 3.46Å; E115-K127 PolarHBondContact O-N 2.85Å; E115-T129 HydrophobicContact CB-CG2 4.02Å; E115-T129 HydrophobicContact CG-CG2 4.16Å; E115-T129 WeakPolarHBondContact OE1-CB 3.47Å; E115-T129 VanDerWaalsContact OE1-CG2 3.25Å; E115-T129 WeakPolarHBondContact OE1-CG2 3.35Å; E115-T129 PolarHBondContact OE1-OG1 3.24Å; E115-V289 CarbonylContact C-O 3.56Å; E115-V289 VanDerWaalsContact CA-O 3.24Å; E115-V289 WeakPolarHBondContact CA-O 3.49Å; E115-V289 HydrophobicContact CG-CB 4.28Å; E115-H338 IonicContact OE1-CE1 2.68Å; E115-H338 IonicContact OE1-CG 2.8Å; E115-H338 IonicContact OE1-ND1 3.73Å; E115-H338 PolarHBondContact OE1-ND1 3.34Å
116	I	90.1	Very high	80.6	Confident	7 Å²	7	52.6 Å²	52.6	4%	0.036	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142	169.4	-164.2	167	0	0	0	111.7	V118 A124 W126 K211 V289 G290 V291 L328	I116-V118 HydrophobicContact CD1-CG2 4.13Å; I116-V118 HydrophobicContact CG1-CG2 4.15Å; I116-A124 HydrophobicContact CD1-CB 4.05Å; I116-A124 HydrophobicContact CG1-CB 3.96Å; I116-W126 HydrophobicContact CB-CD2 3.68Å; I116-W126 HydrophobicContact CB-CE3 3.69Å; I116-W126 HydrophobicContact CB-CG 4.21Å; I116-W126 HydrophobicContact CB-CH2 4.25Å; I116-W126 HydrophobicContact CB-CZ2 4.24Å; I116-W126 HydrophobicContact CB-CZ3 3.98Å; I116-W126 HydrophobicContact CD1-CD2 4.29Å; I116-W126 HydrophobicContact CD1-CG 4.25Å; I116-W126 HydrophobicContact CG2-CD2 3.94Å; I116-W126 HydrophobicContact CG2-CE3 3.82Å; I116-W126 HydrophobicContact CG2-CH2 3.44Å; I116-W126 VanDerWaalsContact CG2-CH2 3.44Å; I116-W126 HydrophobicContact CG2-CZ2 3.55Å; I116-W126 HydrophobicContact CG2-CZ3 3.58Å; I116-K211 HydrophobicContact CD1-CB 3.91Å; I116-K211 HydrophobicContact CD1-CG 3.96Å; I116-V289 PolarHBondContact N-O 2.8Å; I116-G290 CarbonylContact O-C 3.6Å; I116-G290 WeakPolarHBondContact O-CA 3.43Å; I116-V291 PolarHBondContact O-N 2.91Å; I116-L328 HydrophobicContact CG2-CD2 4.23Å
117	C	85.1	Confident	81.2	Confident	68 Å²	68	55.7 Å²	55.7	46%	0.459	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	104	171.3	-173.9	0	0	0	0	108.6	K119	C117-K119 WeakPolarHBondContact SG-CE 3.22Å
118	V	80.7	Confident	81.5	Confident	27 Å²	27	52.8 Å²	52.8	16%	0.164	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.5	175	-175.3	0	0	0	0	107.8	I116 A124 A208 V291 L292 F294	I116-V118 HydrophobicContact CD1-CG2 4.13Å; I116-V118 HydrophobicContact CG1-CG2 4.15Å; V118-A124 HydrophobicContact CB-CB 4.36Å; V118-A124 HydrophobicContact CG2-CB 3.73Å; V118-A208 HydrophobicContact CG2-CB 4.47Å; V118-V291 PolarHBondContact N-O 3.12Å; V118-L292 HydrophobicContact CB-CD2 3.6Å; V118-L292 HydrophobicContact CG2-CD2 3.29Å; V118-F294 HydrophobicContact CG1-CE1 4.28Å
119	K	76.6	Confident	81.7	Confident	78 Å²	78	49.7 Å²	49.7	34%	0.339	27%	0.272	S	S	.	.			trans	-132.2	136.1	171.4	-60.2	-162.7	-179	-131.2	0	108.9	C117 G121 K122 D293 D331	C117-K119 WeakPolarHBondContact SG-CE 3.22Å; K119-G121 PolarHBondContact O-N 3.43Å; K119-K122 PolarHBondContact O-N 2.96Å; K119-K122 VanDerWaalsContact O-N 3.11Å; K119-D293 VanDerWaalsContact CA-OD2 3.27Å; K119-D293 WeakPolarHBondContact CA-OD2 3.45Å; K119-D331 IonicContact NZ-OD1 2.7Å; K119-D331 PolarHBondContact NZ-OD1 3.37Å; K119-D331 IonicContact NZ-OD2 2.77Å; K119-D331 PolarHBondContact NZ-OD2 3.06Å
120	D	58.2	Low	81.9	Confident	143 Å²	143	49.1 Å²	49.1	77%	0.765	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.2	118	-178.1	-96.9	-29.3	0	0	0	112.5	D293	D120-D293 PolarHBondContact N-OD2 2.94Å
121	G	58.5	Low	82	Confident	85 Å²	85	49.8 Å²	49.8	88%	0.876	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	10	175.5	0	0	0	0	0	117.4	K119	K119-G121 PolarHBondContact O-N 3.43Å
122	K	62	Low	81.9	Confident	161 Å²	161	50 Å²	50	70%	0.7	27%	0.272	S	S	*	.	S	Bend	trans	-117.2	140.4	172.3	-69.5	179.8	-179.5	175.8	0	112.5	K119 A124	K119-K122 PolarHBondContact O-N 2.96Å; K119-K122 VanDerWaalsContact O-N 3.11Å; K122-A124 PolarHBondContact O-N 2.89Å
123	D	62.8	Low	81.3	Confident	152 Å²	152	51.1 Å²	51.1	81%	0.813	28%	0.278	S	S	*	.			trans	-65	114.9	165.8	-85	-48.6	0	0	0	110	K211	D123-K211 IonicContact OD1-NZ 3.9Å
124	A	78.1	Confident	80.6	Confident	8 Å²	8	55 Å²	55	7%	0.066	29%	0.294	C	S	.	.			trans	-97.7	136.4	173.7	0	0	0	0	0	110.3	I116 V118 K122 K211	I116-A124 HydrophobicContact CD1-CB 4.05Å; I116-A124 HydrophobicContact CG1-CB 3.96Å; V118-A124 HydrophobicContact CB-CB 4.36Å; V118-A124 HydrophobicContact CG2-CB 3.73Å; K122-A124 PolarHBondContact O-N 2.89Å; A124-K211 VanDerWaalsContact O-CD 3.27Å; A124-K211 WeakPolarHBondContact O-CD 3.33Å; A124-K211 WeakPolarHBondContact O-CE 3.24Å; A124-K211 WeakPolarHBondContact O-CG 3.25Å
125	E	85.1	Confident	80.2	Confident	81 Å²	81	55.6 Å²	55.6	38%	0.379	30%	0.297	S	S	.	.			trans	-130.3	147.3	174.3	-63.2	-176.5	143.9	0	0	107.4
126	W	88.5	Confident	80	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	138.8	169.7	-70.3	97.9	0	0	0	109.4	D114 E115 I116 A208 L209 R212 H213 H214 L288 V289 L328	D114-W126 HydrophobicContact CB-CB 4.42Å; D114-W126 HydrophobicContact CB-CE3 3.82Å; E115-W126 CarbonylContact O-C 3.54Å; E115-W126 WeakPolarHBondContact O-CA 3.34Å; I116-W126 HydrophobicContact CB-CD2 3.68Å; I116-W126 HydrophobicContact CB-CE3 3.69Å; I116-W126 HydrophobicContact CB-CG 4.21Å; I116-W126 HydrophobicContact CB-CH2 4.25Å; I116-W126 HydrophobicContact CB-CZ2 4.24Å; I116-W126 HydrophobicContact CB-CZ3 3.98Å; I116-W126 HydrophobicContact CD1-CD2 4.29Å; I116-W126 HydrophobicContact CD1-CG 4.25Å; I116-W126 HydrophobicContact CG2-CD2 3.94Å; I116-W126 HydrophobicContact CG2-CE3 3.82Å; I116-W126 HydrophobicContact CG2-CH2 3.44Å; I116-W126 VanDerWaalsContact CG2-CH2 3.44Å; I116-W126 HydrophobicContact CG2-CZ2 3.55Å; I116-W126 HydrophobicContact CG2-CZ3 3.58Å; W126-A208 PolarHBondContact NE1-O 3.32Å; W126-L209 HydrophobicContact CZ2-CD2 4.33Å; W126-R212 PolarHBondContact N-O 3.08Å; W126-H213 HydrophobicContact CB-CB 4.23Å; W126-H213 AromaticContact CD1-CD2 3.78Å; W126-H213 AromaticContact CD1-CE1 3.95Å; W126-H213 AromaticContact CD1-NE2 3.5Å; W126-H213 AromaticContact CG-CE1 3.74Å; W126-H213 AromaticContact CG-NE2 3.76Å; W126-H213 AromaticContact NE1-NE2 3.99Å; W126-H214 VanDerWaalsContact O-CB 3.3Å; W126-H214 WeakPolarHBondContact O-CB 3.45Å; W126-H214 PolarHBondContact O-N 3.24Å; W126-L288 HydrophobicContact CE3-CD2 4.43Å; W126-L288 HydrophobicContact CH2-CB 3.65Å; W126-L288 HydrophobicContact CZ2-CB 4.43Å; W126-L288 HydrophobicContact CZ3-CB 3.73Å; W126-L288 HydrophobicContact CZ3-CD2 4.39Å; W126-V289 WeakPolarHBondContact CZ3-O 3.36Å; W126-L328 HydrophobicContact CH2-CD2 3.91Å; W126-L328 HydrophobicContact CZ2-CD2 4.36Å
127	K	87.8	Confident	79.8	Confident	121 Å²	121	53.7 Å²	53.7	53%	0.526	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.6	-178.4	-66	173.9	-173.6	169.4	0	110.4	D114 E115 T129	D114-K127 WeakPolarHBondContact CA-O 3.43Å; E115-K127 PolarHBondContact N-O 3.46Å; E115-K127 PolarHBondContact O-N 2.85Å; K127-T129 PolarHBondContact O-N 3.43Å
128	E	87.1	Confident	79.9	Confident	9 Å²	9	51.7 Å²	51.7	4%	0.042	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	119.3	172.1	-161.1	-165.9	172	0	0	109.2	E112 D114 R131 W146 Q216	E112-E128 HydrophobicContact CG-CG 4.11Å; D114-E128 VanDerWaalsContact OD1-CA 3.26Å; D114-E128 WeakPolarHBondContact OD1-CA 3.34Å; D114-E128 PolarHBondContact OD1-N 3.35Å; E128-R131 IonicContact OE1-NH1 3.68Å; E128-W146 VanDerWaalsContact CD-CH2 3.49Å; E128-W146 HydrophobicContact CG-CH2 3.85Å; E128-W146 HydrophobicContact CG-CZ2 4.18Å; E128-W146 WeakPolarHBondContact OE1-CH2 3.38Å; E128-W146 WeakPolarHBondContact OE1-CZ2 3.3Å; E128-W146 WeakPolarHBondContact OE2-CZ2 3.32Å; E128-Q216 PolarHBondContact OE2-N 2.9Å
129	T	86.9	Confident	80	Confident	33 Å²	33	52 Å²	52	20%	0.202	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-33.3	-179.6	59.6	0	0	0	0	113.5	L113 E115 K127 V139	L113-T129 PolarHBondContact O-N 3.28Å; E115-T129 HydrophobicContact CB-CG2 4.02Å; E115-T129 HydrophobicContact CG-CG2 4.16Å; E115-T129 WeakPolarHBondContact OE1-CB 3.47Å; E115-T129 VanDerWaalsContact OE1-CG2 3.25Å; E115-T129 WeakPolarHBondContact OE1-CG2 3.35Å; E115-T129 PolarHBondContact OE1-OG1 3.24Å; K127-T129 PolarHBondContact O-N 3.43Å; T129-V139 WeakPolarHBondContact O-CG2 3.45Å; T129-V139 PolarHBondContact O-N 3.08Å
130	A	88.8	Confident	80	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	156.3	-179.6	0	0	0	0	0	112	L113 W132 D138	L113-A130 HydrophobicContact CB-CB 4.34Å; L113-A130 WeakPolarHBondContact CB-O 3.5Å; L113-A130 HydrophobicContact CD2-CB 4.21Å; L113-A130 PolarHBondContact N-O 3.11Å; A130-W132 HydrophobicContact CB-CH2 3.36Å; A130-W132 HydrophobicContact CB-CZ2 4.09Å; A130-W132 HydrophobicContact CB-CZ3 3.81Å; A130-D138 WeakPolarHBondContact CB-OD1 3.41Å
131	R	89.8	Confident	80	Confident	16 Å²	16	53 Å²	53	6%	0.06	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	158.6	177	68.9	-175.2	-171.9	-162.5	-3.7	113.2	F110 T111 E128 E137 W146 E316	F110-R131 HydrophobicContact CE2-CB 4.36Å; F110-R131 HydrophobicContact CZ-CB 4.37Å; T111-R131 CarbonylContact O-C 3.58Å; T111-R131 VanDerWaalsContact O-CA 3.3Å; T111-R131 WeakPolarHBondContact O-CA 3.35Å; T111-R131 WeakPolarHBondContact O-CB 3.33Å; E128-R131 IonicContact OE1-NH1 3.68Å; R131-E137 HydrophobicContact CG-CB 4.11Å; R131-E137 IonicContact CZ-OE2 3.48Å; R131-E137 PolarHBondContact N-O 3Å; R131-E137 VanDerWaalsContact N-O 3.1Å; R131-E137 IonicContact NE-OE2 2.69Å; R131-E137 PolarHBondContact NE-OE2 3.29Å; R131-E137 IonicContact NH2-OE2 3.46Å; R131-E137 PolarHBondContact NH2-OE2 2.93Å; R131-E137 PolarHBondContact O-N 3.35Å; R131-W146 HydrophobicContact CG-CH2 4.22Å; R131-W146 HydrophobicContact CG-CZ3 4.08Å; R131-E316 IonicContact NH1-OE2 3.27Å; R131-E316 PolarHBondContact NH1-OE2 2.97Å; R131-E316 VanDerWaalsContact NH1-OE2 3.09Å
132	W	89	Confident	80	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.015	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	138	179.6	-56.7	-109.7	0	0	0	112	T111 L113 A130 E136 R342 A345 T346 T349	T111-W132 HydrophobicContact CG2-CE3 4.25Å; T111-W132 PolarHBondContact N-O 2.92Å; T111-W132 PolarHBondContact O-N 3.5Å; L113-W132 HydrophobicContact CB-CH2 4.05Å; L113-W132 HydrophobicContact CB-CZ3 3.71Å; L113-W132 HydrophobicContact CD2-CH2 4.14Å; A130-W132 HydrophobicContact CB-CH2 3.36Å; A130-W132 HydrophobicContact CB-CZ2 4.09Å; A130-W132 HydrophobicContact CB-CZ3 3.81Å; W132-E136 HydrophobicContact CZ2-CG 3.8Å; W132-E136 PolarHBondContact NE1-OE2 3.37Å; W132-R342 HydrophobicContact CH2-CG 3.76Å; W132-R342 HydrophobicContact CZ2-CG 3.42Å; W132-R342 VanDerWaalsContact CZ2-CG 3.42Å; W132-A345 HydrophobicContact CD2-CB 3.97Å; W132-A345 HydrophobicContact CE3-CB 3.5Å; W132-A345 VanDerWaalsContact CE3-CB 3.5Å; W132-A345 HydrophobicContact CH2-CB 3.65Å; W132-A345 HydrophobicContact CZ2-CB 4.06Å; W132-A345 HydrophobicContact CZ3-CB 3.34Å; W132-T346 PolarHBondContact NE1-OG1 3.49Å; W132-T349 HydrophobicContact CB-CG2 3.39Å; W132-T349 HydrophobicContact CG-CG2 3.89Å
133	L	79.1	Confident	79.7	Confident	25 Å²	25	45.7 Å²	45.7	13%	0.131	25%	0.253	C	S	.	.	S	Bend	trans	-117.4	-32.9	161.8	-171.9	68	0	0	0	111.6	F110 A849	F110-L133 HydrophobicContact CD2-CD1 4.42Å; L133-A849 HydrophobicContact CD2-CB 4.2Å
134	K	76.4	Confident	79.5	Confident	80 Å²	80	46 Å²	46	35%	0.348	25%	0.249	S	C	.	.	S	Bend	trans	-159.4	-28	173.7	-65.5	-167.2	-177.2	178.8	0	112	A849	K134-A849 HydrophobicContact CD-CB 4.31Å
135	F	83	Confident	79.2	Confident	13 Å²	13	52.7 Å²	52.7	6%	0.057	27%	0.273	C	S	.	.	S	Bend	trans	-130.2	158.6	177.3	-63.6	-63.2	0	0	0	108	M53 P149 Y150 V151 P393 V397	M53-F135 HydrophobicContact CE-CE1 4.4Å; F135-P149 HydrophobicContact CB-CB 3.95Å; F135-Y150 WeakPolarHBondContact CB-O 3.42Å; F135-V151 HydrophobicContact CD1-CG2 4.33Å; F135-V151 HydrophobicContact CE1-CG2 4.24Å; F135-P393 HydrophobicContact CD1-CB 4.14Å; F135-P393 HydrophobicContact CD1-CG 4.11Å; F135-P393 HydrophobicContact CD2-CB 4.07Å; F135-P393 HydrophobicContact CD2-CG 4.07Å; F135-P393 HydrophobicContact CE1-CB 3.88Å; F135-P393 HydrophobicContact CE1-CG 4.36Å; F135-P393 HydrophobicContact CE2-CB 3.8Å; F135-P393 HydrophobicContact CE2-CG 4.31Å; F135-P393 HydrophobicContact CG-CB 4.25Å; F135-P393 HydrophobicContact CG-CG 3.97Å; F135-P393 HydrophobicContact CZ-CB 3.71Å; F135-P393 HydrophobicContact CZ-CG 4.46Å; F135-V397 HydrophobicContact CE2-CG2 4.32Å; F135-V397 HydrophobicContact CZ-CG2 3.72Å
136	E	86.3	Confident	79	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.014	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	129.7	-177	-173.4	166.9	115.2	0	0	110.4	W132 D138 P149 Y150 A152 R342	W132-E136 HydrophobicContact CZ2-CG 3.8Å; W132-E136 PolarHBondContact NE1-OE2 3.37Å; E136-D138 VanDerWaalsContact CG-OD1 3.3Å; E136-D138 WeakPolarHBondContact CG-OD1 3.35Å; E136-P149 VanDerWaalsContact O-CA 3.28Å; E136-P149 WeakPolarHBondContact O-CA 3.39Å; E136-Y150 HydrophobicContact CB-CD2 4.32Å; E136-Y150 HydrophobicContact CB-CE2 3.97Å; E136-Y150 HydrophobicContact CG-CE2 3.9Å; E136-Y150 PolarHBondContact N-O 3.14Å; E136-Y150 PolarHBondContact O-N 2.95Å; E136-Y150 WeakPolarHBondContact OE1-CE2 3.21Å; E136-Y150 VanDerWaalsContact OE1-CZ 3.24Å; E136-Y150 PolarHBondContact OE1-OH 3.15Å; E136-A152 HydrophobicContact CB-CB 4.35Å; E136-A152 WeakPolarHBondContact OE2-CB 3.34Å; E136-R342 IonicContact OE1-NE 3.73Å
137	E	87	Confident	78.5	Confident	21 Å²	21	51.2 Å²	51.2	10%	0.098	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	99.3	168.1	-71.4	-171.7	159.5	0	0	108.9	R131 W146 P149 P850	R131-E137 HydrophobicContact CG-CB 4.11Å; R131-E137 IonicContact CZ-OE2 3.48Å; R131-E137 PolarHBondContact N-O 3Å; R131-E137 VanDerWaalsContact N-O 3.1Å; R131-E137 IonicContact NE-OE2 2.69Å; R131-E137 PolarHBondContact NE-OE2 3.29Å; R131-E137 IonicContact NH2-OE2 3.46Å; R131-E137 PolarHBondContact NH2-OE2 2.93Å; R131-E137 PolarHBondContact O-N 3.35Å; E137-W146 HydrophobicContact CB-CE3 4.29Å; E137-W146 VanDerWaalsContact O-CE3 3.3Å; E137-W146 WeakPolarHBondContact O-CZ3 3.36Å; E137-P149 HydrophobicContact CG-CB 3.94Å; E137-P850 WeakPolarHBondContact OE1-CB 3.01Å
138	D	86.5	Confident	78.1	Confident	26 Å²	26	51.7 Å²	51.7	14%	0.139	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	156.9	172.7	-73	11.7	0	0	0	112.6	A130 E136 S147 Y150	A130-D138 WeakPolarHBondContact CB-OD1 3.41Å; E136-D138 VanDerWaalsContact CG-OD1 3.3Å; E136-D138 WeakPolarHBondContact CG-OD1 3.35Å; D138-S147 PolarHBondContact N-OG 3Å; D138-S147 WeakPolarHBondContact O-CB 3.26Å; D138-S147 PolarHBondContact O-N 3.5Å; D138-S147 PolarHBondContact O-OG 3.3Å; D138-Y150 PolarHBondContact OD1-OH 3.26Å; D138-Y150 PolarHBondContact OD2-OH 2.92Å
139	V	82.2	Confident	77.8	Confident	32 Å²	32	52.4 Å²	52.4	19%	0.194	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-75.7	130.3	167.3	-179.8	0	0	0	0	110.3	T129 W146	T129-V139 WeakPolarHBondContact O-CG2 3.45Å; T129-V139 PolarHBondContact O-N 3.08Å; V139-W146 HydrophobicContact CG2-CD2 4.39Å; V139-W146 HydrophobicContact CG2-CE3 3.86Å; V139-W146 HydrophobicContact CG2-CH2 3.56Å; V139-W146 HydrophobicContact CG2-CZ2 4.11Å; V139-W146 HydrophobicContact CG2-CZ3 3.41Å; V139-W146 VanDerWaalsContact CG2-CZ3 3.41Å
140	E	76.3	Confident	77.5	Confident	59 Å²	59	51.5 Å²	51.5	28%	0.276	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-75.4	145.3	-179.6	-60.5	-174	146.9	0	0	112.6	G142 G143 R145 R390	E140-G142 PolarHBondContact O-N 3.45Å; E140-G143 PolarHBondContact O-N 3.48Å; E140-R145 PolarHBondContact N-O 2.78Å; E140-R145 VanDerWaalsContact OE2-CD 3.24Å; E140-R145 WeakPolarHBondContact OE2-CD 3.47Å; E140-R145 WeakPolarHBondContact OE2-CG 3.28Å; E140-R145 IonicContact OE2-CZ 3.33Å; E140-R145 IonicContact OE2-NE 2.76Å; E140-R145 IonicContact OE2-NH1 3.72Å; E140-R390 IonicContact OE1-NH1 3.64Å; E140-R390 PolarHBondContact OE1-NH1 2.93Å
141	D	59.7	Low	77.2	Confident	183 Å²	183	52.5 Å²	52.5	98%	0.979	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	110.3	177.5	-71.8	-49.5	0	0	0	111.9
142	G	56.8	Low	76.9	Confident	74 Å²	74	52 Å²	52	76%	0.763	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	125.9	-18	-167.5	0	0	0	0	0	113.3	E140 E144	E140-G142 PolarHBondContact O-N 3.45Å; G142-E144 PolarHBondContact O-N 3.21Å
143	G	56.7	Low	76.6	Confident	20 Å²	20	52.7 Å²	52.7	21%	0.206	28%	0.275	C	S	.	.	S	Bend	trans	69.2	27.9	163.7	0	0	0	0	0	115.2	E140 Q216 K219	E140-G143 PolarHBondContact O-N 3.48Å; G143-Q216 PolarHBondContact O-NE2 3.03Å; G143-Q216 PolarHBondContact O-OE1 3.29Å; G143-K219 PolarHBondContact O-NZ 2.82Å
144	E	58.3	Low	76.9	Confident	158 Å²	158	51.5 Å²	51.5	74%	0.738	27%	0.269	S	S	*	.	S	Bend	trans	-118	-14	177.8	-69.1	-160.4	160.7	0	0	114.2	G142 Q216	G142-E144 PolarHBondContact O-N 3.21Å; E144-Q216 PolarHBondContact O-NE2 2.82Å
145	R	72.6	Confident	77.3	Confident	148 Å²	148	48.1 Å²	48.1	56%	0.558	26%	0.256	S	S	*	.			trans	-145.9	135.8	-165.7	174.6	169.2	179.7	-156.2	2.1	113.8	E140	E140-R145 PolarHBondContact N-O 2.78Å; E140-R145 VanDerWaalsContact OE2-CD 3.24Å; E140-R145 WeakPolarHBondContact OE2-CD 3.47Å; E140-R145 WeakPolarHBondContact OE2-CG 3.28Å; E140-R145 IonicContact OE2-CZ 3.33Å; E140-R145 IonicContact OE2-NE 2.76Å; E140-R145 IonicContact OE2-NH1 3.72Å
146	W	79.4	Confident	77.3	Confident	43 Å²	43	49.4 Å²	49.4	16%	0.163	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-69.7	135.4	163.3	-67.7	110.6	0	0	0	111.9	E128 R131 E137 V139 Q216	E128-W146 VanDerWaalsContact CD-CH2 3.49Å; E128-W146 HydrophobicContact CG-CH2 3.85Å; E128-W146 HydrophobicContact CG-CZ2 4.18Å; E128-W146 WeakPolarHBondContact OE1-CH2 3.38Å; E128-W146 WeakPolarHBondContact OE1-CZ2 3.3Å; E128-W146 WeakPolarHBondContact OE2-CZ2 3.32Å; R131-W146 HydrophobicContact CG-CH2 4.22Å; R131-W146 HydrophobicContact CG-CZ3 4.08Å; E137-W146 HydrophobicContact CB-CE3 4.29Å; E137-W146 VanDerWaalsContact O-CE3 3.3Å; E137-W146 WeakPolarHBondContact O-CZ3 3.36Å; V139-W146 HydrophobicContact CG2-CD2 4.39Å; V139-W146 HydrophobicContact CG2-CE3 3.86Å; V139-W146 HydrophobicContact CG2-CH2 3.56Å; V139-W146 HydrophobicContact CG2-CZ2 4.11Å; V139-W146 HydrophobicContact CG2-CZ3 3.41Å; V139-W146 VanDerWaalsContact CG2-CZ3 3.41Å; W146-Q216 HydrophobicContact CZ2-CB 4.08Å; W146-Q216 HydrophobicContact CZ2-CG 4.45Å
147	S	79.1	Confident	77.3	Confident	8 Å²	8	53.8 Å²	53.8	6%	0.056	28%	0.283	C	S	.	.			trans	-61.8	174.9	169.6	63.9	0	0	0	0	112.3	D138	D138-S147 PolarHBondContact N-OG 3Å; D138-S147 WeakPolarHBondContact O-CB 3.26Å; D138-S147 PolarHBondContact O-N 3.5Å; D138-S147 PolarHBondContact O-OG 3.3Å
148	K	78.6	Confident	77.4	Confident	131 Å²	131	52.9 Å²	52.9	57%	0.57	28%	0.279	S	S	*	.			trans	-80.4	144.4	166.3	-64.8	176	-169.5	159	0	108.3	Y150	K148-Y150 VanDerWaalsContact O-CD1 3.24Å; K148-Y150 WeakPolarHBondContact O-CD1 3.36Å; K148-Y150 PolarHBondContact O-N 3.18Å
149	P	81.3	Confident	77.4	Confident	23 Å²	23	51.6 Å²	51.6	15%	0.149	27%	0.272	C	S	.	.			trans	-59	131.4	175.7	23.9	-35.4	0	0	0	112.4	F135 E136 E137 P393 P850 G851	F135-P149 HydrophobicContact CB-CB 3.95Å; E136-P149 VanDerWaalsContact O-CA 3.28Å; E136-P149 WeakPolarHBondContact O-CA 3.39Å; E137-P149 HydrophobicContact CG-CB 3.94Å; P149-P393 WeakPolarHBondContact O-CD 3.42Å; P149-P393 WeakPolarHBondContact O-CG 3.48Å; P149-P850 HydrophobicContact CB-CB 4.17Å; P149-P850 HydrophobicContact CG-CB 3.67Å; P149-P850 WeakPolarHBondContact CG-O 3.24Å; P149-G851 VanDerWaalsContact CG-N 3.32Å
150	Y	80.7	Confident	77.8	Confident	15 Å²	15	55.6 Å²	55.6	6%	0.059	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-136.9	169.9	178.6	59.1	-93.7	0	0	0	112.8	F135 E136 D138 K148 A152 R390 I391	F135-Y150 WeakPolarHBondContact CB-O 3.42Å; E136-Y150 HydrophobicContact CB-CD2 4.32Å; E136-Y150 HydrophobicContact CB-CE2 3.97Å; E136-Y150 HydrophobicContact CG-CE2 3.9Å; E136-Y150 PolarHBondContact N-O 3.14Å; E136-Y150 PolarHBondContact O-N 2.95Å; E136-Y150 WeakPolarHBondContact OE1-CE2 3.21Å; E136-Y150 VanDerWaalsContact OE1-CZ 3.24Å; E136-Y150 PolarHBondContact OE1-OH 3.15Å; D138-Y150 PolarHBondContact OD1-OH 3.26Å; D138-Y150 PolarHBondContact OD2-OH 2.92Å; K148-Y150 VanDerWaalsContact O-CD1 3.24Å; K148-Y150 WeakPolarHBondContact O-CD1 3.36Å; K148-Y150 PolarHBondContact O-N 3.18Å; Y150-A152 PolarHBondContact O-N 3.32Å; Y150-R390 HydrophobicContact CD1-CB 3.98Å; Y150-R390 VanDerWaalsContact CD1-CD 3.49Å; Y150-R390 HydrophobicContact CD1-CG 3.6Å; Y150-R390 HydrophobicContact CD2-CB 4.37Å; Y150-R390 HydrophobicContact CD2-CG 4.18Å; Y150-R390 HydrophobicContact CE1-CG 3.83Å; Y150-R390 VanDerWaalsContact CE1-NE 3.31Å; Y150-R390 HydrophobicContact CE2-CG 4.37Å; Y150-R390 HydrophobicContact CG-CB 3.83Å; Y150-R390 HydrophobicContact CG-CG 3.82Å; Y150-I391 WeakPolarHBondContact CA-O 3.4Å; Y150-I391 WeakPolarHBondContact CB-O 3.47Å
151	V	82.9	Confident	78.5	Confident	20 Å²	20	54.9 Å²	54.9	12%	0.121	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-76.9	119.4	175.4	-176.2	0	0	0	0	109.5	F135 T153 I391	F135-V151 HydrophobicContact CD1-CG2 4.33Å; F135-V151 HydrophobicContact CE1-CG2 4.24Å; V151-T153 PolarHBondContact O-N 2.95Å; V151-I391 HydrophobicContact CB-CB 4.19Å; V151-I391 HydrophobicContact CB-CG2 4.21Å; V151-I391 HydrophobicContact CG2-CG2 4.13Å; V151-I391 PolarHBondContact N-O 3.23Å
152	A	82.9	Confident	80	Confident	7 Å²	7	46.1 Å²	46.1	6%	0.058	24%	0.237	C	C	.	.			trans	-52.6	127.7	176.8	0	0	0	0	0	112.1	V51 E136 Y150 T346	V51-A152 HydrophobicContact CG2-CB 4.48Å; E136-A152 HydrophobicContact CB-CB 4.35Å; E136-A152 WeakPolarHBondContact OE2-CB 3.34Å; Y150-A152 PolarHBondContact O-N 3.32Å; A152-T346 HydrophobicContact CB-CG2 3.66Å
153	T	83.3	Confident	81.7	Confident	17 Å²	17	46.3 Å²	46.3	10%	0.104	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	110.2	170	49.5	0	0	0	0	108.5	V151 R342 L380 I391	V151-T153 PolarHBondContact O-N 2.95Å; T153-R342 PolarHBondContact O-NH2 3.32Å; T153-L380 HydrophobicContact CG2-CD1 4.27Å; T153-I391 HydrophobicContact CG2-CD1 3.97Å
154	L	84.6	Confident	83.3	Confident	0 Å²	0	48 Å²	48	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	154.8	-177.4	-60.2	179.3	0	0	0	110.5	F48 V49 L159 T346	F48-L154 CarbonylContact C-O 3.49Å; F48-L154 WeakPolarHBondContact CA-O 3.38Å; V49-L154 PolarHBondContact N-O 2.61Å; V49-L154 PolarHBondContact O-N 2.87Å; V49-L154 VanDerWaalsContact O-N 3.07Å; L154-L159 HydrophobicContact CB-CD1 4.29Å; L154-L159 HydrophobicContact CD1-CD1 4.3Å; L154-L159 HydrophobicContact CD1-CD2 3.89Å; L154-L159 HydrophobicContact CD1-CG 4.26Å; L154-T346 HydrophobicContact CD1-CG2 3.86Å; L154-T346 HydrophobicContact CG-CG2 4.32Å
155	S	84.3	Confident	84.8	Confident	10 Å²	10	41.5 Å²	41.5	7%	0.07	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	144.2	164.5	90.1	0	0	0	0	110.5	H157 S158 L159	S155-H157 PolarHBondContact O-N 2.97Å; S155-S158 PolarHBondContact O-OG 3.02Å; S155-S158 VanDerWaalsContact OG-CB 3.28Å; S155-S158 WeakPolarHBondContact OG-CB 3.1Å; S155-S158 PolarHBondContact OG-N 3.16Å; S155-S158 PolarHBondContact OG-OG 2.8Å; S155-L159 PolarHBondContact O-N 3.46Å
156	L	83.5	Confident	85.7	Confident	39 Å²	39	34.6 Å²	34.6	20%	0.204	17%	0.169	C	C	.	.	H	α-helix	trans	-67.4	-26.9	173.9	-160.8	140.2	0	0	0	111.1	L47 V49 F160 V379	L47-L156 HydrophobicContact CB-CB 3.99Å; L47-L156 HydrophobicContact CB-CD1 4.42Å; L47-L156 WeakPolarHBondContact O-CB 3.45Å; L47-L156 PolarHBondContact O-N 3.24Å; V49-L156 HydrophobicContact CG1-CD1 4.45Å; V49-L156 HydrophobicContact CG2-CB 3.57Å; V49-L156 HydrophobicContact CG2-CD1 4.02Å; V49-L156 HydrophobicContact CG2-CG 4.04Å; L156-F160 HydrophobicContact CD2-CD2 3.68Å; L156-F160 HydrophobicContact CD2-CE2 3.25Å; L156-F160 HydrophobicContact CD2-CZ 3.99Å; L156-F160 HydrophobicContact CG-CE2 4.48Å; L156-F160 PolarHBondContact O-N 3.5Å; L156-V379 HydrophobicContact CD1-CG2 4.21Å
157	H	86.3	Confident	86.2	Confident	95 Å²	95	35.4 Å²	35.4	44%	0.44	18%	0.176	S	C	.	.	H	α-helix	trans	-67.3	-49.9	178.2	-169.9	38.3	0	0	0	111.6	S155 L159 F160 E161	S155-H157 PolarHBondContact O-N 2.97Å; H157-L159 VanDerWaalsContact C-N 3.27Å; H157-L159 PolarHBondContact O-N 3.47Å; H157-F160 PolarHBondContact O-N 3.01Å; H157-F160 VanDerWaalsContact O-N 3.08Å; H157-E161 IonicContact CE1-OE1 2.92Å; H157-E161 IonicContact NE2-OE1 3.66Å; H157-E161 PolarHBondContact O-N 3.27Å
158	S	88.7	Confident	86.5	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.014	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-30	179.1	57.8	0	0	0	0	113.1	S155 L162 S343	S155-S158 PolarHBondContact O-OG 3.02Å; S155-S158 VanDerWaalsContact OG-CB 3.28Å; S155-S158 WeakPolarHBondContact OG-CB 3.1Å; S155-S158 PolarHBondContact OG-N 3.16Å; S155-S158 PolarHBondContact OG-OG 2.8Å; S158-L162 VanDerWaalsContact O-CB 3.25Å; S158-L162 WeakPolarHBondContact O-CB 3.16Å; S158-L162 PolarHBondContact O-N 3.2Å; S158-S343 WeakPolarHBondContact CB-OG 3.14Å; S158-S343 PolarHBondContact OG-OG 2.86Å
159	L	88.1	Confident	86.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.7	-40.9	171.3	-73.1	167.1	0	0	0	112.6	V49 L154 S155 H157 R163 I347 F373 L374	V49-L159 HydrophobicContact CG2-CD1 4Å; L154-L159 HydrophobicContact CB-CD1 4.29Å; L154-L159 HydrophobicContact CD1-CD1 4.3Å; L154-L159 HydrophobicContact CD1-CD2 3.89Å; L154-L159 HydrophobicContact CD1-CG 4.26Å; S155-L159 PolarHBondContact O-N 3.46Å; H157-L159 VanDerWaalsContact C-N 3.27Å; H157-L159 PolarHBondContact O-N 3.47Å; L159-R163 WeakPolarHBondContact O-CB 3.46Å; L159-R163 PolarHBondContact O-N 3.4Å; L159-I347 HydrophobicContact CD2-CD1 3.45Å; L159-I347 VanDerWaalsContact CD2-CD1 3.45Å; L159-I347 HydrophobicContact CD2-CG1 4.21Å; L159-F373 HydrophobicContact CD1-CE1 4.45Å; L159-F373 HydrophobicContact CD2-CD1 4.41Å; L159-F373 HydrophobicContact CD2-CE1 3.96Å; L159-L374 HydrophobicContact CB-CD2 4.02Å; L159-L374 HydrophobicContact CD1-CD2 4.05Å
160	F	89.8	Confident	87.1	Confident	116 Å²	116	33.8 Å²	33.8	51%	0.509	17%	0.174	S	C	.	.	H	α-helix	trans	-72.8	-34.4	173.6	-74.4	-37	0	0	0	113	L156 H157 R163 S164 L374	L156-F160 HydrophobicContact CD2-CD2 3.68Å; L156-F160 HydrophobicContact CD2-CE2 3.25Å; L156-F160 HydrophobicContact CD2-CZ 3.99Å; L156-F160 HydrophobicContact CG-CE2 4.48Å; L156-F160 PolarHBondContact O-N 3.5Å; H157-F160 PolarHBondContact O-N 3.01Å; H157-F160 VanDerWaalsContact O-N 3.08Å; F160-R163 WeakPolarHBondContact O-CB 3.27Å; F160-R163 PolarHBondContact O-N 2.9Å; F160-S164 PolarHBondContact O-N 2.76Å; F160-L374 HydrophobicContact CD1-CD1 4.25Å; F160-L374 HydrophobicContact CE1-CD1 3.98Å
161	E	90.7	Very high	87.6	Confident	43 Å²	43	34.2 Å²	34.2	20%	0.201	18%	0.178	C	C	.	.	H	α-helix	trans	-66.2	-41.3	172.5	-69.7	-168.1	131.5	0	0	111.2	H157 R163 S164 C165 I340	H157-E161 IonicContact CE1-OE1 2.92Å; H157-E161 IonicContact NE2-OE1 3.66Å; H157-E161 PolarHBondContact O-N 3.27Å; E161-R163 PolarHBondContact O-N 3.03Å; E161-S164 CarbonylContact O-C 3.59Å; E161-S164 WeakPolarHBondContact O-CB 3.36Å; E161-S164 PolarHBondContact O-N 3.42Å; E161-S164 VanDerWaalsContact O-N 3.15Å; E161-C165 WeakPolarHBondContact O-CB 3.33Å; E161-C165 PolarHBondContact O-N 2.92Å; E161-C165 PolarHBondContact O-SG 3.25Å; E161-I340 HydrophobicContact CB-CD1 3.72Å; E161-I340 HydrophobicContact CB-CG1 3.87Å
162	L	91.6	Very high	88	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-45.1	171.3	177.9	61.5	0	0	0	112	S158 S164 C165 I166 F325 I340 M344 I347 I370	S158-L162 VanDerWaalsContact O-CB 3.25Å; S158-L162 WeakPolarHBondContact O-CB 3.16Å; S158-L162 PolarHBondContact O-N 3.2Å; L162-S164 VanDerWaalsContact C-N 3.3Å; L162-S164 PolarHBondContact O-N 3.42Å; L162-C165 WeakPolarHBondContact O-CB 3.37Å; L162-C165 PolarHBondContact O-N 3.33Å; L162-C165 VanDerWaalsContact O-N 3.12Å; L162-I166 PolarHBondContact O-N 2.87Å; L162-F325 HydrophobicContact CD1-CE1 4.47Å; L162-F325 HydrophobicContact CD1-CE2 3.91Å; L162-F325 HydrophobicContact CD1-CZ 3.68Å; L162-I340 HydrophobicContact CB-CG2 4.09Å; L162-I340 HydrophobicContact CD1-CG2 4.01Å; L162-M344 HydrophobicContact CD1-CB 3.86Å; L162-M344 HydrophobicContact CD1-CG 4.24Å; L162-M344 HydrophobicContact CD1-SD 4Å; L162-M344 HydrophobicContact CD2-CB 3.94Å; L162-M344 HydrophobicContact CD2-SD 4.07Å; L162-I347 HydrophobicContact CD2-CD1 3.64Å; L162-I370 HydrophobicContact CD2-CD1 4.4Å; L162-I370 HydrophobicContact CG-CD1 4.26Å
163	R	91.8	Very high	88.3	Confident	78 Å²	78	36.2 Å²	36.2	29%	0.294	19%	0.187	S	C	.	.	H	α-helix	trans	-58.1	-43.4	174.5	-170.8	-176.3	-175	-85.9	-0.5	111.4	L159 F160 E161 I166 I167 L367 I370 D371	L159-R163 WeakPolarHBondContact O-CB 3.46Å; L159-R163 PolarHBondContact O-N 3.4Å; F160-R163 WeakPolarHBondContact O-CB 3.27Å; F160-R163 PolarHBondContact O-N 2.9Å; E161-R163 PolarHBondContact O-N 3.03Å; R163-I166 PolarHBondContact O-N 2.94Å; R163-I167 HydrophobicContact CG-CD1 4.27Å; R163-I167 WeakPolarHBondContact O-CD1 3.36Å; R163-I167 VanDerWaalsContact O-CG1 3.27Å; R163-I167 WeakPolarHBondContact O-CG1 3.24Å; R163-I167 PolarHBondContact O-N 2.95Å; R163-I167 VanDerWaalsContact O-N 3.08Å; R163-L367 HydrophobicContact CG-CD2 3.98Å; R163-I370 HydrophobicContact CB-CG2 4.3Å; R163-I370 HydrophobicContact CG-CG2 4.38Å; R163-D371 IonicContact CZ-OD1 3.78Å; R163-D371 IonicContact CZ-OD2 3.86Å; R163-D371 IonicContact NE-OD1 3.3Å; R163-D371 PolarHBondContact NE-OD1 2.94Å; R163-D371 IonicContact NE-OD2 2.75Å; R163-D371 IonicContact NH2-OD1 3.93Å; R163-D371 PolarHBondContact NH2-OD1 3.45Å; R163-D371 IonicContact NH2-OD2 2.8Å; R163-D371 PolarHBondContact NH2-OD2 3.35Å
164	S	90.8	Very high	88.5	Confident	56 Å²	56	38.2 Å²	38.2	39%	0.392	20%	0.197	S	C	.	.	H	α-helix	trans	-62.9	-39.9	174.1	-166.6	0	0	0	0	112.3	F160 E161 L162 I166 I167 N168	F160-S164 PolarHBondContact O-N 2.76Å; E161-S164 CarbonylContact O-C 3.59Å; E161-S164 WeakPolarHBondContact O-CB 3.36Å; E161-S164 PolarHBondContact O-N 3.42Å; E161-S164 VanDerWaalsContact O-N 3.15Å; L162-S164 VanDerWaalsContact C-N 3.3Å; L162-S164 PolarHBondContact O-N 3.42Å; S164-I166 PolarHBondContact O-N 3.12Å; S164-I167 PolarHBondContact O-N 2.97Å; S164-N168 PolarHBondContact O-N 3.01Å; S164-N168 PolarHBondContact O-ND2 3.29Å; S164-N168 PolarHBondContact OG-ND2 2.86Å
165	C	90.1	Very high	88.6	Confident	20 Å²	20	38.7 Å²	38.7	14%	0.135	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-41.1	176	-69	0	0	0	0	112.1	E161 L162 G169 V300	E161-C165 WeakPolarHBondContact O-CB 3.33Å; E161-C165 PolarHBondContact O-N 2.92Å; E161-C165 PolarHBondContact O-SG 3.25Å; L162-C165 WeakPolarHBondContact O-CB 3.37Å; L162-C165 PolarHBondContact O-N 3.33Å; L162-C165 VanDerWaalsContact O-N 3.12Å; C165-G169 VanDerWaalsContact O-CA 3.29Å; C165-G169 WeakPolarHBondContact O-CA 3.47Å; C165-G169 PolarHBondContact O-N 3.31Å; C165-V300 HydrophobicContact CB-CG1 3.91Å; C165-V300 HydrophobicContact CB-CG2 4.32Å
166	I	90.9	Very high	88.8	Confident	3 Å²	3	47 Å²	47	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-74.8	-28.2	176	-62.3	-169.7	0	0	0	112.7	L162 R163 S164 V171 L366 L367 I370	L162-I166 PolarHBondContact O-N 2.87Å; R163-I166 PolarHBondContact O-N 2.94Å; S164-I166 PolarHBondContact O-N 3.12Å; I166-V171 HydrophobicContact CG2-CG2 4.25Å; I166-L366 HydrophobicContact CG2-CB 4.39Å; I166-L367 HydrophobicContact CB-CD2 4.09Å; I166-L367 HydrophobicContact CG2-CD2 3.92Å; I166-L367 HydrophobicContact CG2-CG 4.19Å; I166-I370 HydrophobicContact CD1-CD1 3.73Å
167	I	89.6	Confident	88.9	Confident	61 Å²	61	45.2 Å²	45.2	31%	0.313	22%	0.22	S	C	.	.	H	α-helix	trans	-67.1	-49.9	174.3	-70.6	163.5	0	0	0	110.8	R163 S164 R363 L367	R163-I167 HydrophobicContact CG-CD1 4.27Å; R163-I167 WeakPolarHBondContact O-CD1 3.36Å; R163-I167 VanDerWaalsContact O-CG1 3.27Å; R163-I167 WeakPolarHBondContact O-CG1 3.24Å; R163-I167 PolarHBondContact O-N 2.95Å; R163-I167 VanDerWaalsContact O-N 3.08Å; S164-I167 PolarHBondContact O-N 2.97Å; I167-R363 PolarHBondContact O-NH1 3.46Å; I167-L367 HydrophobicContact CD1-CD2 4.37Å; I167-L367 HydrophobicContact CG1-CD1 3.61Å; I167-L367 HydrophobicContact CG1-CD2 3.73Å; I167-L367 HydrophobicContact CG1-CG 4.34Å
168	N	86.4	Confident	88.8	Confident	113 Å²	113	46.8 Å²	46.8	60%	0.604	23%	0.232	S	C	*	.	H	α-helix	trans	-90.8	-27.9	-171	-61.3	-37.6	0	0	0	113.5	S164	S164-N168 PolarHBondContact O-N 3.01Å; S164-N168 PolarHBondContact O-ND2 3.29Å; S164-N168 PolarHBondContact OG-ND2 2.86Å
169	G	85.3	Confident	88.7	Confident	8 Å²	8	48.7 Å²	48.7	8%	0.082	25%	0.245	C	C	.	.	S	Bend	trans	-77.4	174.7	-176.1	0	0	0	0	0	115.1	C165	C165-G169 VanDerWaalsContact O-CA 3.29Å; C165-G169 WeakPolarHBondContact O-CA 3.47Å; C165-G169 PolarHBondContact O-N 3.31Å
170	S	88	Confident	88.7	Confident	6 Å²	6	50.6 Å²	50.6	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	130.9	174.1	-74.5	0	0	0	0	110.9	H190 Q191 V300 A301 F302	S170-H190 PolarHBondContact OG-ND1 3.47Å; S170-Q191 PolarHBondContact OG-NE2 3Å; S170-Q191 PolarHBondContact OG-OE1 2.92Å; S170-V300 PolarHBondContact N-O 2.85Å; S170-A301 CarbonylContact O-C 3.58Å; S170-A301 VanDerWaalsContact O-CA 3.32Å; S170-A301 WeakPolarHBondContact O-CA 3.33Å; S170-F302 PolarHBondContact O-N 2.64Å
171	V	90.3	Very high	88.6	Confident	24 Å²	24	50.1 Å²	50.1	15%	0.145	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	108.2	177.4	175.6	0	0	0	0	107.9	I166 L173 F302 R363 L366	I166-V171 HydrophobicContact CG2-CG2 4.25Å; V171-L173 HydrophobicContact CG1-CD1 4.41Å; V171-L173 HydrophobicContact CG1-CD2 4.27Å; V171-L173 HydrophobicContact CG1-CG 4.09Å; V171-F302 HydrophobicContact CG1-CD1 4.35Å; V171-R363 HydrophobicContact CB-CB 4.28Å; V171-R363 HydrophobicContact CG1-CB 4.28Å; V171-R363 HydrophobicContact CG2-CB 4.08Å; V171-L366 HydrophobicContact CG1-CD1 3.9Å
172	L	90.7	Very high	88.5	Confident	29 Å²	29	52.5 Å²	52.5	15%	0.152	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	102.3	-172.7	-63.6	170.8	0	0	0	109.1	M175 V187 H190 F302 V303 R304	L172-M175 HydrophobicContact CB-CE 4.02Å; L172-M175 HydrophobicContact CD1-CE 3.57Å; L172-M175 HydrophobicContact CG-CE 4.35Å; L172-V187 HydrophobicContact CD1-CG2 3.9Å; L172-H190 HydrophobicContact CD1-CB 4.44Å; L172-H190 HydrophobicContact CD2-CB 4.32Å; L172-F302 PolarHBondContact N-O 2.92Å; L172-V303 HydrophobicContact CB-CG2 4.44Å; L172-V303 HydrophobicContact CD1-CG2 4.5Å; L172-V303 CarbonylContact O-C 3.53Å; L172-V303 VanDerWaalsContact O-CA 3.32Å; L172-V303 WeakPolarHBondContact O-CA 3.47Å; L172-R304 PolarHBondContact O-N 3.47Å
173	L	89.5	Confident	88.4	Confident	40 Å²	40	52.5 Å²	52.5	21%	0.209	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	139.9	-176.8	-60.1	176.2	0	0	0	111	V171 M175 F302 R304 A360 K361	V171-L173 HydrophobicContact CG1-CD1 4.41Å; V171-L173 HydrophobicContact CG1-CD2 4.27Å; V171-L173 HydrophobicContact CG1-CG 4.09Å; L173-M175 VanDerWaalsContact C-N 3.34Å; L173-M175 PolarHBondContact O-N 2.76Å; L173-F302 HydrophobicContact CD2-CD1 4.35Å; L173-F302 HydrophobicContact CD2-CE1 4.05Å; L173-R304 HydrophobicContact CD2-CB 3.93Å; L173-A360 HydrophobicContact CD1-CB 4.42Å; L173-K361 WeakPolarHBondContact CD1-O 3.48Å
174	D	87.4	Confident	88.2	Confident	59 Å²	59	48.9 Å²	48.9	32%	0.316	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.7	38.4	-179.8	-53.8	-45.6	0	0	0	114.6	H104 R304	H104-D174 IonicContact CD2-OD1 3.98Å; H104-D174 IonicContact NE2-OD1 3.63Å; H104-D174 PolarHBondContact NE2-OD1 2.82Å; H104-D174 IonicContact NE2-OD2 3.51Å; D174-R304 CarbonylContact C-O 3.59Å; D174-R304 WeakPolarHBondContact CA-O 3.18Å; D174-R304 PolarHBondContact N-O 3.48Å; D174-R304 IonicContact OD1-CZ 4Å; D174-R304 IonicContact OD1-NE 2.97Å; D174-R304 PolarHBondContact OD1-NE 3.39Å; D174-R304 IonicContact OD1-NH2 3.05Å; D174-R304 PolarHBondContact OD1-NH2 2.95Å; D174-R304 VanDerWaalsContact OD1-NH2 3.09Å; D174-R304 IonicContact OD2-CZ 2.61Å; D174-R304 IonicContact OD2-NE 3.45Å; D174-R304 IonicContact OD2-NH2 3.35Å; D174-R304 PolarHBondContact OD2-NH2 3.13Å
175	M	87.8	Confident	88.1	Confident	11 Å²	11	48.3 Å²	48.3	5%	0.054	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	139	172.9	178.2	-178	-72.3	0	0	111	L172 L173 A177 I183 M186 V187 V303 R304 L305 S306	L172-M175 HydrophobicContact CB-CE 4.02Å; L172-M175 HydrophobicContact CD1-CE 3.57Å; L172-M175 HydrophobicContact CG-CE 4.35Å; L173-M175 VanDerWaalsContact C-N 3.34Å; L173-M175 PolarHBondContact O-N 2.76Å; M175-A177 HydrophobicContact CG-CB 4.23Å; M175-A177 HydrophobicContact SD-CB 4.28Å; M175-I183 HydrophobicContact SD-CB 4.38Å; M175-I183 HydrophobicContact SD-CG1 4.12Å; M175-I183 HydrophobicContact SD-CG2 4.19Å; M175-M186 HydrophobicContact CE-CB 3.78Å; M175-M186 HydrophobicContact CE-CE 4.29Å; M175-M186 HydrophobicContact CE-SD 4.38Å; M175-M186 HydrophobicContact CG-CE 4.04Å; M175-M186 HydrophobicContact CG-SD 3.93Å; M175-M186 HydrophobicContact SD-CB 4.32Å; M175-M186 HydrophobicContact SD-SD 4.14Å; M175-V187 HydrophobicContact CE-CG2 4.37Å; M175-V303 HydrophobicContact CB-CG1 4.05Å; M175-V303 HydrophobicContact CE-CG1 3.93Å; M175-V303 HydrophobicContact CG-CG1 4.49Å; M175-V303 HydrophobicContact SD-CG1 3.69Å; M175-R304 PolarHBondContact N-O 3.31Å; M175-L305 HydrophobicContact CB-CD2 4.18Å; M175-L305 HydrophobicContact CG-CD2 4.18Å; M175-L305 CarbonylContact O-C 3.44Å; M175-L305 WeakPolarHBondContact O-CA 3.43Å; M175-L305 HydrophobicContact SD-CD2 4.26Å; M175-S306 PolarHBondContact O-N 3.44Å
176	R	86.9	Confident	88.1	Confident	184 Å²	184	51.3 Å²	51.3	69%	0.694	26%	0.258	S	S	*	.			trans	-112.2	104.1	172.9	-68.9	-179.8	178.4	-163.6	-1.1	108.7
177	A	86.6	Confident	87.9	Confident	2 Å²	2	51.3 Å²	51.3	2%	0.017	26%	0.258	C	S	.	.			trans	-149.4	135.1	178.8	0	0	0	0	0	107.9	M175 E182 I183 M186	M175-A177 HydrophobicContact CG-CB 4.23Å; M175-A177 HydrophobicContact SD-CB 4.28Å; A177-E182 HydrophobicContact CB-CB 3.79Å; A177-I183 HydrophobicContact CB-CG1 3.6Å; A177-M186 HydrophobicContact CB-SD 4.48Å
178	D	84.4	Confident	87.8	Confident	127 Å²	127	48.4 Å²	48.4	68%	0.679	24%	0.243	S	C	*	.	S	Bend	trans	-99.9	-5.7	-174.8	-69.3	-27.2	0	0	0	112.1	E182	D178-E182 PolarHBondContact N-OE2 3.3Å
179	S	86.9	Confident	87.7	Confident	42 Å²	42	47.1 Å²	47.1	29%	0.294	24%	0.236	S	C	.	.	S	Bend	trans	-140.6	156.8	-178.5	68.2	0	0	0	0	113.2	E181 E182 I183	S179-E181 PolarHBondContact O-N 3.43Å; S179-E182 PolarHBondContact O-N 3.13Å; S179-E182 WeakPolarHBondContact OG-CG 3.46Å; S179-E182 PolarHBondContact OG-N 3.21Å; S179-I183 WeakPolarHBondContact O-CG1 3.49Å; S179-I183 PolarHBondContact O-N 2.82Å; S179-I183 VanDerWaalsContact O-N 3.12Å
180	I	86.6	Confident	87.6	Confident	41 Å²	41	50.6 Å²	50.6	21%	0.21	25%	0.25	C	C	.	.	H	α-helix	trans	-65.2	-25.9	174	-171.3	59.8	0	0	0	112.1	I183 A184 L210 L314 L324	I180-I183 HydrophobicContact CD1-CB 4.5Å; I180-A184 VanDerWaalsContact O-CB 3.29Å; I180-A184 WeakPolarHBondContact O-CB 3.39Å; I180-A184 PolarHBondContact O-N 2.82Å; I180-L210 HydrophobicContact CG1-CD2 4.46Å; I180-L210 HydrophobicContact CG2-CD2 3.96Å; I180-L314 HydrophobicContact CD1-CD1 4.11Å; I180-L314 HydrophobicContact CG1-CD1 4.28Å; I180-L324 HydrophobicContact CD1-CD2 4.19Å
181	E	87.9	Confident	87	Confident	105 Å²	105	50.5 Å²	50.5	49%	0.491	25%	0.249	S	C	.	.	H	α-helix	trans	-65.5	-49.5	173.9	-65.5	-171.9	-149.4	0	0	111.6	S179 I183 A184 D185 R206 L210	S179-E181 PolarHBondContact O-N 3.43Å; E181-I183 VanDerWaalsContact C-N 3.35Å; E181-I183 PolarHBondContact O-N 3.35Å; E181-A184 PolarHBondContact O-N 2.87Å; E181-D185 PolarHBondContact O-N 2.95Å; E181-R206 IonicContact OE2-NH2 2.73Å; E181-L210 HydrophobicContact CB-CD2 4.44Å; E181-L210 HydrophobicContact CG-CD1 3.99Å; E181-L210 HydrophobicContact CG-CD2 3.67Å; E181-L210 HydrophobicContact CG-CG 4.5Å
182	E	89.3	Confident	86	Confident	93 Å²	93	53.5 Å²	53.5	44%	0.435	26%	0.261	S	S	.	.	H	α-helix	trans	-61.6	-41.1	174.7	-75	177.6	142.6	0	0	112.1	A177 D178 S179 D185 M186	A177-E182 HydrophobicContact CB-CB 3.79Å; D178-E182 PolarHBondContact N-OE2 3.3Å; S179-E182 PolarHBondContact O-N 3.13Å; S179-E182 WeakPolarHBondContact OG-CG 3.46Å; S179-E182 PolarHBondContact OG-N 3.21Å; E182-D185 PolarHBondContact O-N 2.92Å; E182-M186 WeakPolarHBondContact O-CB 3.32Å; E182-M186 VanDerWaalsContact O-CG 3.28Å; E182-M186 WeakPolarHBondContact O-CG 3.43Å; E182-M186 PolarHBondContact O-N 2.94Å
183	I	88.8	Confident	84.7	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-61.9	-45.8	176.6	-63.5	166.5	0	0	0	110.3	M175 A177 S179 I180 E181 V187 L305 L311 L324	M175-I183 HydrophobicContact SD-CB 4.38Å; M175-I183 HydrophobicContact SD-CG1 4.12Å; M175-I183 HydrophobicContact SD-CG2 4.19Å; A177-I183 HydrophobicContact CB-CG1 3.6Å; S179-I183 WeakPolarHBondContact O-CG1 3.49Å; S179-I183 PolarHBondContact O-N 2.82Å; S179-I183 VanDerWaalsContact O-N 3.12Å; I180-I183 HydrophobicContact CD1-CB 4.5Å; E181-I183 VanDerWaalsContact C-N 3.35Å; E181-I183 PolarHBondContact O-N 3.35Å; I183-V187 HydrophobicContact CG2-CG2 4.36Å; I183-V187 WeakPolarHBondContact O-CB 3.35Å; I183-V187 WeakPolarHBondContact O-CG2 3.41Å; I183-V187 PolarHBondContact O-N 3.08Å; I183-L305 HydrophobicContact CD1-CD1 4.1Å; I183-L305 HydrophobicContact CD1-CD2 3.94Å; I183-L305 HydrophobicContact CG1-CD2 4.12Å; I183-L311 HydrophobicContact CD1-CD1 3.81Å; I183-L311 HydrophobicContact CD1-CD2 4.02Å; I183-L324 HydrophobicContact CG2-CD2 3.74Å
184	A	88.2	Confident	83.5	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-45.5	178.4	0	0	0	0	0	111.8	I180 E181 V187 L188 L209	I180-A184 VanDerWaalsContact O-CB 3.29Å; I180-A184 WeakPolarHBondContact O-CB 3.39Å; I180-A184 PolarHBondContact O-N 2.82Å; E181-A184 PolarHBondContact O-N 2.87Å; A184-V187 PolarHBondContact O-N 2.9Å; A184-L188 WeakPolarHBondContact O-CB 3.49Å; A184-L188 WeakPolarHBondContact O-CG 3.28Å; A184-L188 PolarHBondContact O-N 2.8Å; A184-L209 HydrophobicContact CB-CB 4.28Å; A184-L209 HydrophobicContact CB-CD1 3.9Å
185	D	89.4	Confident	82.3	Confident	44 Å²	44	62.5 Å²	62.5	24%	0.235	32%	0.32	C	S	.	.	H	α-helix	trans	-66.3	-43.3	179.1	-77	-41.1	0	0	0	112.1	E181 E182 V187 L188 D189 R202 R206	E181-D185 PolarHBondContact O-N 2.95Å; E182-D185 PolarHBondContact O-N 2.92Å; D185-V187 PolarHBondContact O-N 2.83Å; D185-L188 PolarHBondContact O-N 2.94Å; D185-D189 WeakPolarHBondContact O-CB 3.35Å; D185-D189 VanDerWaalsContact O-CG 3.23Å; D185-D189 PolarHBondContact O-N 2.91Å; D185-R202 PolarHBondContact O-NH2 3Å; D185-R202 IonicContact OD1-NH2 3.64Å; D185-R206 VanDerWaalsContact CG-NE 3.3Å; D185-R206 WeakPolarHBondContact OD1-CD 3.36Å; D185-R206 IonicContact OD1-CZ 3.32Å; D185-R206 IonicContact OD1-NE 3.11Å; D185-R206 PolarHBondContact OD1-NE 3.44Å; D185-R206 IonicContact OD1-NH2 2.72Å; D185-R206 IonicContact OD2-CZ 3.74Å; D185-R206 VanDerWaalsContact OD2-CZ 3.32Å; D185-R206 IonicContact OD2-NE 2.75Å; D185-R206 PolarHBondContact OD2-NE 3.41Å; D185-R206 VanDerWaalsContact OD2-NE 3.08Å; D185-R206 IonicContact OD2-NH2 3.79Å; D185-R206 PolarHBondContact OD2-NH2 3.45Å
186	M	88.6	Confident	81.1	Confident	84 Å²	84	66.2 Å²	66.2	41%	0.414	34%	0.337	S	S	.	.	H	α-helix	trans	-65	-36.3	175.6	-72.4	-173.1	72.5	0	0	113.4	M175 A177 E182 H190	M175-M186 HydrophobicContact CE-CB 3.78Å; M175-M186 HydrophobicContact CE-CE 4.29Å; M175-M186 HydrophobicContact CE-SD 4.38Å; M175-M186 HydrophobicContact CG-CE 4.04Å; M175-M186 HydrophobicContact CG-SD 3.93Å; M175-M186 HydrophobicContact SD-CB 4.32Å; M175-M186 HydrophobicContact SD-SD 4.14Å; A177-M186 HydrophobicContact CB-SD 4.48Å; E182-M186 WeakPolarHBondContact O-CB 3.32Å; E182-M186 VanDerWaalsContact O-CG 3.28Å; E182-M186 WeakPolarHBondContact O-CG 3.43Å; E182-M186 PolarHBondContact O-N 2.94Å; M186-H190 PolarHBondContact O-N 2.75Å
187	V	87.6	Confident	80.3	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.012	31%	0.313	C	S	.	.	H	α-helix	trans	-65.6	-42.2	174	166.8	0	0	0	0	110.4	L172 M175 I183 A184 D185 H190 Q191 A301 V303	L172-V187 HydrophobicContact CD1-CG2 3.9Å; M175-V187 HydrophobicContact CE-CG2 4.37Å; I183-V187 HydrophobicContact CG2-CG2 4.36Å; I183-V187 WeakPolarHBondContact O-CB 3.35Å; I183-V187 WeakPolarHBondContact O-CG2 3.41Å; I183-V187 PolarHBondContact O-N 3.08Å; A184-V187 PolarHBondContact O-N 2.9Å; D185-V187 PolarHBondContact O-N 2.83Å; V187-H190 PolarHBondContact O-N 2.85Å; V187-Q191 WeakPolarHBondContact O-CG 3.46Å; V187-Q191 PolarHBondContact O-N 3.43Å; V187-A301 HydrophobicContact CG1-CB 3.65Å; V187-A301 HydrophobicContact CG2-CB 4.26Å; V187-V303 HydrophobicContact CG2-CG2 3.81Å
188	L	86.8	Confident	79.8	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-70.4	-39.8	179.4	-69.7	169.9	0	0	0	112.5	A184 D185 H190 Q191 E192 L197 R202 V205 R206	A184-L188 WeakPolarHBondContact O-CB 3.49Å; A184-L188 WeakPolarHBondContact O-CG 3.28Å; A184-L188 PolarHBondContact O-N 2.8Å; D185-L188 PolarHBondContact O-N 2.94Å; L188-H190 VanDerWaalsContact C-N 3.28Å; L188-H190 PolarHBondContact O-N 2.95Å; L188-Q191 CarbonylContact O-C 3.58Å; L188-Q191 PolarHBondContact O-N 2.89Å; L188-Q191 VanDerWaalsContact O-N 3.08Å; L188-E192 PolarHBondContact O-N 2.83Å; L188-L197 HydrophobicContact CD2-CD1 4.09Å; L188-R202 HydrophobicContact CB-CG 4.13Å; L188-R202 HydrophobicContact CD1-CG 4.05Å; L188-R202 HydrophobicContact CD2-CG 4.28Å; L188-R202 HydrophobicContact CG-CG 4.38Å; L188-V205 HydrophobicContact CD2-CB 4.21Å; L188-V205 HydrophobicContact CD2-CG1 3.87Å; L188-R206 HydrophobicContact CD1-CB 3.72Å; L188-R206 HydrophobicContact CD1-CG 4.21Å
189	D	85.5	Confident	79.4	Confident	85 Å²	85	63.9 Å²	63.9	46%	0.455	34%	0.338	S	S	.	.	H	α-helix	trans	-57.2	-41.3	174.2	-73.2	-15.8	0	0	0	112	D185 Q191 E192 A193 R202	D185-D189 WeakPolarHBondContact O-CB 3.35Å; D185-D189 VanDerWaalsContact O-CG 3.23Å; D185-D189 PolarHBondContact O-N 2.91Å; D189-Q191 VanDerWaalsContact C-N 3.33Å; D189-Q191 PolarHBondContact O-N 2.85Å; D189-E192 PolarHBondContact O-N 2.9Å; D189-A193 PolarHBondContact O-N 2.95Å; D189-A193 VanDerWaalsContact O-N 3.14Å; D189-R202 IonicContact OD1-CZ 2.75Å; D189-R202 IonicContact OD1-NH1 3.08Å; D189-R202 PolarHBondContact OD1-NH1 2.92Å; D189-R202 IonicContact OD1-NH2 3.94Å; D189-R202 PolarHBondContact OD1-NH2 2.95Å
190	H	81.9	Confident	79.1	Confident	81 Å²	81	66.5 Å²	66.5	38%	0.375	35%	0.352	S	S	.	.	H	α-helix	trans	-68.3	-32	177.5	-170.4	-87.5	0	0	0	112.7	S170 L172 M186 V187 L188	S170-H190 PolarHBondContact OG-ND1 3.47Å; L172-H190 HydrophobicContact CD1-CB 4.44Å; L172-H190 HydrophobicContact CD2-CB 4.32Å; M186-H190 PolarHBondContact O-N 2.75Å; V187-H190 PolarHBondContact O-N 2.85Å; L188-H190 VanDerWaalsContact C-N 3.28Å; L188-H190 PolarHBondContact O-N 2.95Å
191	Q	76.6	Confident	78.9	Confident	5 Å²	5	66 Å²	66	2%	0.023	35%	0.351	C	S	.	.	H	α-helix	trans	-80.2	-20.9	176.3	-64.4	-69.4	20.7	0	0	113.6	S170 V187 L188 D189 S194 E196 L197 V299 V300	S170-Q191 PolarHBondContact OG-NE2 3Å; S170-Q191 PolarHBondContact OG-OE1 2.92Å; V187-Q191 WeakPolarHBondContact O-CG 3.46Å; V187-Q191 PolarHBondContact O-N 3.43Å; L188-Q191 CarbonylContact O-C 3.58Å; L188-Q191 PolarHBondContact O-N 2.89Å; L188-Q191 VanDerWaalsContact O-N 3.08Å; D189-Q191 VanDerWaalsContact C-N 3.33Å; D189-Q191 PolarHBondContact O-N 2.85Å; Q191-S194 WeakPolarHBondContact CA-OG 3.21Å; Q191-S194 PolarHBondContact O-OG 2.88Å; Q191-S194 PolarHBondContact OE1-OG 2.87Å; Q191-E196 PolarHBondContact O-N 2.94Å; Q191-E196 PolarHBondContact OE1-OE2 2.82Å; Q191-L197 HydrophobicContact CB-CD1 3.88Å; Q191-V299 HydrophobicContact CG-CG1 4.49Å; Q191-V300 PolarHBondContact NE2-O 2.99Å; Q191-V300 VanDerWaalsContact NE2-O 3.12Å
192	E	68.6	Low	78.7	Confident	87 Å²	87	62.8 Å²	62.8	41%	0.407	33%	0.334	S	S	.	.	H	α-helix	trans	-74.7	-40.4	170.1	-165.6	-179	132.9	0	0	110.6	L188 D189 S194 H195 R202	L188-E192 PolarHBondContact O-N 2.83Å; D189-E192 PolarHBondContact O-N 2.9Å; E192-S194 PolarHBondContact O-N 2.87Å; E192-H195 PolarHBondContact O-N 2.69Å; E192-R202 IonicContact OE2-CZ 3.85Å; E192-R202 IonicContact OE2-NH1 2.78Å; E192-R202 PolarHBondContact OE2-NH1 2.82Å
193	A	63.2	Low	78.5	Confident	84 Å²	84	62.3 Å²	62.3	69%	0.694	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.9	176.2	0	0	0	0	0	114.2	D189	D189-A193 PolarHBondContact O-N 2.95Å; D189-A193 VanDerWaalsContact O-N 3.14Å
194	S	64.9	Low	78.4	Confident	53 Å²	53	68.3 Å²	68.3	37%	0.371	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.5	171.7	52.5	0	0	0	0	114	Q191 E192 E196	Q191-S194 WeakPolarHBondContact CA-OG 3.21Å; Q191-S194 PolarHBondContact O-OG 2.88Å; Q191-S194 PolarHBondContact OE1-OG 2.87Å; E192-S194 PolarHBondContact O-N 2.87Å; S194-E196 VanDerWaalsContact C-N 3.3Å; S194-E196 PolarHBondContact O-N 2.99Å
195	H	62.3	Low	78.2	Confident	180 Å²	180	68.3 Å²	68.3	83%	0.833	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	33.3	-172.7	-65.9	-64.5	0	0	0	114.3	E192	E192-H195 PolarHBondContact O-N 2.69Å
196	E	62.8	Low	78.1	Confident	88 Å²	88	69.7 Å²	69.7	41%	0.411	36%	0.362	S	S	.	.			trans	-95.1	-15.4	-175.7	-68.6	-165.3	164.3	0	0	115.3	Q191 S194	Q191-E196 PolarHBondContact O-N 2.94Å; Q191-E196 PolarHBondContact OE1-OE2 2.82Å; S194-E196 VanDerWaalsContact C-N 3.3Å; S194-E196 PolarHBondContact O-N 2.99Å
197	L	69.3	Low	78.1	Confident	39 Å²	39	71.6 Å²	71.6	20%	0.204	37%	0.369	C	S	.	.			trans	-131.5	147.5	-175.5	-67.4	173.7	0	0	0	112.9	L188 Q191 V201 L295 V299	L188-L197 HydrophobicContact CD2-CD1 4.09Å; Q191-L197 HydrophobicContact CB-CD1 3.88Å; L197-V201 HydrophobicContact CD2-CG1 4.14Å; L197-L295 HydrophobicContact CD2-CD2 4.39Å; L197-V299 HydrophobicContact CD1-CG2 4.21Å; L197-V299 HydrophobicContact CD2-CG2 4.01Å
198	D	76	Confident	78	Confident	115 Å²	115	71.7 Å²	71.7	62%	0.615	37%	0.37	S	S	*	.			trans	-95.7	143.7	176.5	-155	37.9	0	0	0	109.8	T200 V201 R202	D198-T200 PolarHBondContact O-N 2.85Å; D198-V201 HydrophobicContact CB-CG2 4.28Å; D198-V201 WeakPolarHBondContact O-CA 3.41Å; D198-V201 WeakPolarHBondContact O-CB 3.04Å; D198-V201 PolarHBondContact O-N 2.77Å; D198-R202 PolarHBondContact O-N 3.09Å
199	D	76.9	Confident	78	Confident	111 Å²	111	72 Å²	72	59%	0.594	37%	0.372	S	S	*	.	H	α-helix	trans	-52.4	-38	-170.6	-75.9	-18.8	0	0	0	113.7	V201 R202 V203	D199-V201 VanDerWaalsContact C-N 3.34Å; D199-R202 PolarHBondContact O-N 2.88Å; D199-V203 PolarHBondContact O-N 3.13Å
200	T	79.9	Confident	78.1	Confident	97 Å²	97	70.6 Å²	70.6	60%	0.595	36%	0.364	S	S	*	.	H	α-helix	trans	-71.7	-28.7	-179.9	62.7	0	0	0	0	113.1	D198	D198-T200 PolarHBondContact O-N 2.85Å
201	V	82.3	Confident	78.3	Confident	30 Å²	30	70.3 Å²	70.3	18%	0.182	36%	0.362	C	S	.	.	H	α-helix	trans	-77.4	-41.5	175.2	179.6	0	0	0	0	109.6	L197 D198 D199 V203 R204 V205 F294 L295	L197-V201 HydrophobicContact CD2-CG1 4.14Å; D198-V201 HydrophobicContact CB-CG2 4.28Å; D198-V201 WeakPolarHBondContact O-CA 3.41Å; D198-V201 WeakPolarHBondContact O-CB 3.04Å; D198-V201 PolarHBondContact O-N 2.77Å; D199-V201 VanDerWaalsContact C-N 3.34Å; V201-V203 VanDerWaalsContact C-N 3.33Å; V201-V203 PolarHBondContact O-N 3.34Å; V201-R204 PolarHBondContact O-N 2.93Å; V201-R204 VanDerWaalsContact O-N 3.1Å; V201-V205 HydrophobicContact CG1-CG2 4.14Å; V201-V205 WeakPolarHBondContact O-CG2 3.11Å; V201-V205 PolarHBondContact O-N 2.7Å; V201-F294 HydrophobicContact CG1-CD2 4.27Å; V201-F294 HydrophobicContact CG1-CE2 4.42Å; V201-L295 HydrophobicContact CG1-CD2 3.71Å
202	R	83.1	Confident	78.6	Confident	38 Å²	38	77 Å²	77	14%	0.143	39%	0.387	C	S	.	.	H	α-helix	trans	-50.8	-49.7	176.9	-179.8	-176.1	166.6	135.1	9.4	112	D185 L188 D189 E192 D198 D199 R204 V205 R206	D185-R202 PolarHBondContact O-NH2 3Å; D185-R202 IonicContact OD1-NH2 3.64Å; L188-R202 HydrophobicContact CB-CG 4.13Å; L188-R202 HydrophobicContact CD1-CG 4.05Å; L188-R202 HydrophobicContact CD2-CG 4.28Å; L188-R202 HydrophobicContact CG-CG 4.38Å; D189-R202 IonicContact OD1-CZ 2.75Å; D189-R202 IonicContact OD1-NH1 3.08Å; D189-R202 PolarHBondContact OD1-NH1 2.92Å; D189-R202 IonicContact OD1-NH2 3.94Å; D189-R202 PolarHBondContact OD1-NH2 2.95Å; E192-R202 IonicContact OE2-CZ 3.85Å; E192-R202 IonicContact OE2-NH1 2.78Å; E192-R202 PolarHBondContact OE2-NH1 2.82Å; D198-R202 PolarHBondContact O-N 3.09Å; D199-R202 PolarHBondContact O-N 2.88Å; R202-R204 VanDerWaalsContact C-N 3.34Å; R202-R204 PolarHBondContact O-N 2.68Å; R202-V205 PolarHBondContact O-N 3.24Å; R202-R206 PolarHBondContact O-N 3Å
203	V	85.4	Confident	79.3	Confident	83 Å²	83	73.5 Å²	73.5	50%	0.503	37%	0.371	S	S	.	.	H	α-helix	trans	-60.2	-42.9	179.8	177.6	0	0	0	0	111.6	D199 V201 R206 E207	D199-V203 PolarHBondContact O-N 3.13Å; V201-V203 VanDerWaalsContact C-N 3.33Å; V201-V203 PolarHBondContact O-N 3.34Å; V203-R206 WeakPolarHBondContact O-CB 3.48Å; V203-R206 PolarHBondContact O-N 3.23Å; V203-E207 WeakPolarHBondContact O-CG 3.34Å; V203-E207 PolarHBondContact O-N 2.86Å
204	R	86	Confident	80.1	Confident	127 Å²	127	71.3 Å²	71.3	48%	0.479	35%	0.346	S	S	.	.	H	α-helix	trans	-69.2	-35.2	178.7	-64.5	-178.4	177.8	-158.7	-1	113.2	V201 R202 E207 A208 F294	V201-R204 PolarHBondContact O-N 2.93Å; V201-R204 VanDerWaalsContact O-N 3.1Å; R202-R204 VanDerWaalsContact C-N 3.34Å; R202-R204 PolarHBondContact O-N 2.68Å; R204-E207 PolarHBondContact O-N 3.31Å; R204-A208 WeakPolarHBondContact O-CB 3.29Å; R204-A208 PolarHBondContact O-N 3.28Å; R204-F294 HydrophobicContact CB-CD2 4.19Å; R204-F294 HydrophobicContact CB-CE1 4.08Å; R204-F294 HydrophobicContact CB-CE2 3.51Å; R204-F294 HydrophobicContact CB-CZ 3.44Å; R204-F294 VanDerWaalsContact CB-CZ 3.44Å
205	V	85.6	Confident	80.8	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.006	33%	0.333	C	S	.	.	H	α-helix	trans	-66.7	-41.1	173.2	177.1	0	0	0	0	110.6	L188 V201 R202 A208 L209 L292 F294 L295 L328	L188-V205 HydrophobicContact CD2-CB 4.21Å; L188-V205 HydrophobicContact CD2-CG1 3.87Å; V201-V205 HydrophobicContact CG1-CG2 4.14Å; V201-V205 WeakPolarHBondContact O-CG2 3.11Å; V201-V205 PolarHBondContact O-N 2.7Å; R202-V205 PolarHBondContact O-N 3.24Å; V205-A208 PolarHBondContact O-N 3.15Å; V205-L209 HydrophobicContact CG1-CD1 4.24Å; V205-L209 WeakPolarHBondContact O-CG 3.41Å; V205-L209 PolarHBondContact O-N 3.47Å; V205-L292 HydrophobicContact CG2-CD1 4.18Å; V205-F294 HydrophobicContact CG2-CE2 4.08Å; V205-L295 HydrophobicContact CG2-CD2 4.02Å; V205-L328 HydrophobicContact CG1-CD1 3.86Å
206	R	87.4	Confident	81	Confident	73 Å²	73	61.9 Å²	61.9	28%	0.275	30%	0.297	S	S	.	.	H	α-helix	trans	-58.7	-47.5	172.7	-166.7	-172.9	-172.4	-83.1	-5.4	111.5	E181 D185 L188 R202 V203 A208 L209 L210	E181-R206 IonicContact OE2-NH2 2.73Å; D185-R206 VanDerWaalsContact CG-NE 3.3Å; D185-R206 WeakPolarHBondContact OD1-CD 3.36Å; D185-R206 IonicContact OD1-CZ 3.32Å; D185-R206 IonicContact OD1-NE 3.11Å; D185-R206 PolarHBondContact OD1-NE 3.44Å; D185-R206 IonicContact OD1-NH2 2.72Å; D185-R206 IonicContact OD2-CZ 3.74Å; D185-R206 VanDerWaalsContact OD2-CZ 3.32Å; D185-R206 IonicContact OD2-NE 2.75Å; D185-R206 PolarHBondContact OD2-NE 3.41Å; D185-R206 VanDerWaalsContact OD2-NE 3.08Å; D185-R206 IonicContact OD2-NH2 3.79Å; D185-R206 PolarHBondContact OD2-NH2 3.45Å; L188-R206 HydrophobicContact CD1-CB 3.72Å; L188-R206 HydrophobicContact CD1-CG 4.21Å; R202-R206 PolarHBondContact O-N 3Å; V203-R206 WeakPolarHBondContact O-CB 3.48Å; V203-R206 PolarHBondContact O-N 3.23Å; R206-A208 VanDerWaalsContact C-N 3.3Å; R206-A208 PolarHBondContact O-N 2.93Å; R206-L209 PolarHBondContact O-N 3.04Å; R206-L210 HydrophobicContact CG-CD1 4.12Å; R206-L210 VanDerWaalsContact NH1-CD1 3.33Å; R206-L210 WeakPolarHBondContact O-CG 3.5Å; R206-L210 PolarHBondContact O-N 3.43Å; R206-L210 VanDerWaalsContact O-N 3.09Å
207	E	86.9	Confident	80.9	Confident	123 Å²	123	60 Å²	60	58%	0.575	29%	0.289	S	S	*	.	H	α-helix	trans	-60.8	-36.3	176	-74.6	178.1	178.5	0	0	112.8	V203 R204 K211	V203-E207 WeakPolarHBondContact O-CG 3.34Å; V203-E207 PolarHBondContact O-N 2.86Å; R204-E207 PolarHBondContact O-N 3.31Å; E207-K211 PolarHBondContact O-N 2.78Å
208	A	86.4	Confident	80.3	Confident	4 Å²	4	62 Å²	62	3%	0.033	30%	0.298	C	S	.	.	H	α-helix	trans	-69.6	-42.9	176.3	0	0	0	0	0	112.7	V118 W126 R204 V205 R206 L210 K211 L292	V118-A208 HydrophobicContact CG2-CB 4.47Å; W126-A208 PolarHBondContact NE1-O 3.32Å; R204-A208 WeakPolarHBondContact O-CB 3.29Å; R204-A208 PolarHBondContact O-N 3.28Å; V205-A208 PolarHBondContact O-N 3.15Å; R206-A208 VanDerWaalsContact C-N 3.3Å; R206-A208 PolarHBondContact O-N 2.93Å; A208-L210 VanDerWaalsContact C-N 3.26Å; A208-L210 PolarHBondContact O-N 3.3Å; A208-K211 WeakPolarHBondContact O-CB 3.47Å; A208-K211 PolarHBondContact O-N 3.39Å; A208-L292 HydrophobicContact CB-CD1 4.26Å; A208-L292 HydrophobicContact CB-CD2 3.94Å
209	L	85.9	Confident	78.9	Confident	7 Å²	7	61.1 Å²	61.1	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-63.8	-30.6	175.9	-71.5	171.8	0	0	0	112.6	W126 A184 V205 R206 I326 L328	W126-L209 HydrophobicContact CZ2-CD2 4.33Å; A184-L209 HydrophobicContact CB-CB 4.28Å; A184-L209 HydrophobicContact CB-CD1 3.9Å; V205-L209 HydrophobicContact CG1-CD1 4.24Å; V205-L209 WeakPolarHBondContact O-CG 3.41Å; V205-L209 PolarHBondContact O-N 3.47Å; R206-L209 PolarHBondContact O-N 3.04Å; L209-I326 HydrophobicContact CD2-CD1 4.13Å; L209-I326 HydrophobicContact CD2-CG2 3.84Å; L209-L328 HydrophobicContact CD2-CD1 3.98Å; L209-L328 HydrophobicContact CG-CD1 4.26Å
210	L	87.6	Confident	77.3	Confident	57 Å²	57	63 Å²	63	30%	0.298	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	9.1	179.3	-60.3	177.9	0	0	0	114.1	I180 E181 R206 A208	I180-L210 HydrophobicContact CG1-CD2 4.46Å; I180-L210 HydrophobicContact CG2-CD2 3.96Å; E181-L210 HydrophobicContact CB-CD2 4.44Å; E181-L210 HydrophobicContact CG-CD1 3.99Å; E181-L210 HydrophobicContact CG-CD2 3.67Å; E181-L210 HydrophobicContact CG-CG 4.5Å; R206-L210 HydrophobicContact CG-CD1 4.12Å; R206-L210 VanDerWaalsContact NH1-CD1 3.33Å; R206-L210 WeakPolarHBondContact O-CG 3.5Å; R206-L210 PolarHBondContact O-N 3.43Å; R206-L210 VanDerWaalsContact O-N 3.09Å; A208-L210 VanDerWaalsContact C-N 3.26Å; A208-L210 PolarHBondContact O-N 3.3Å
211	K	87.2	Confident	75.6	Confident	74 Å²	74	64.8 Å²	64.8	32%	0.322	29%	0.291	S	S	.	.	S	Bend	trans	-63.9	153.6	170	-76.2	-61.4	-164.3	168	0	111	I116 D123 A124 E207 A208 H213	I116-K211 HydrophobicContact CD1-CB 3.91Å; I116-K211 HydrophobicContact CD1-CG 3.96Å; D123-K211 IonicContact OD1-NZ 3.9Å; A124-K211 VanDerWaalsContact O-CD 3.27Å; A124-K211 WeakPolarHBondContact O-CD 3.33Å; A124-K211 WeakPolarHBondContact O-CE 3.24Å; A124-K211 WeakPolarHBondContact O-CG 3.25Å; E207-K211 PolarHBondContact O-N 2.78Å; A208-K211 WeakPolarHBondContact O-CB 3.47Å; A208-K211 PolarHBondContact O-N 3.39Å; K211-H213 PolarHBondContact O-CD2 3.09Å
212	R	81.9	Confident	73.5	Confident	145 Å²	145	70.4 Å²	70.4	55%	0.547	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-66.7	139.9	177.9	-178.3	176.8	175.6	-175.7	-1.5	111.2	W126 E218	W126-R212 PolarHBondContact N-O 3.08Å; R212-E218 IonicContact CZ-OE2 2.71Å; R212-E218 VanDerWaalsContact NH2-CD 3.26Å; R212-E218 IonicContact NH2-OE1 2.7Å; R212-E218 PolarHBondContact NH2-OE1 2.8Å; R212-E218 IonicContact NH2-OE2 2.72Å; R212-E218 PolarHBondContact NH2-OE2 2.97Å
213	H	84.1	Confident	71.4	Confident	15 Å²	15	75.8 Å²	75.8	7%	0.069	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	130.5	168.7	-64	-121	0	0	0	110.7	D114 W126 K211 G313 L314	D114-H213 IonicContact OD2-CE1 2.84Å; D114-H213 PolarHBondContact OD2-CE1 2.92Å; D114-H213 IonicContact OD2-CG 3.17Å; D114-H213 IonicContact OD2-ND1 2.89Å; D114-H213 PolarHBondContact OD2-ND1 2.74Å; W126-H213 HydrophobicContact CB-CB 4.23Å; W126-H213 AromaticContact CD1-CD2 3.78Å; W126-H213 AromaticContact CD1-CE1 3.95Å; W126-H213 AromaticContact CD1-NE2 3.5Å; W126-H213 AromaticContact CG-CE1 3.74Å; W126-H213 AromaticContact CG-NE2 3.76Å; W126-H213 AromaticContact NE1-NE2 3.99Å; K211-H213 PolarHBondContact O-CD2 3.09Å; H213-G313 WeakPolarHBondContact CB-O 3.42Å; H213-L314 WeakPolarHBondContact NE2-CD1 3.49Å
214	H	80.2	Confident	69.1	Low	37 Å²	37	78.6 Å²	78.6	17%	0.171	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	94.8	-177.2	-176	80.9	0	0	0	110.3	W126 K219	W126-H214 VanDerWaalsContact O-CB 3.3Å; W126-H214 WeakPolarHBondContact O-CB 3.45Å; W126-H214 PolarHBondContact O-N 3.24Å; H214-K219 WeakPolarHBondContact NE2-CE 3.33Å
215	H	79.8	Confident	66.5	Low	20 Å²	20	79.1 Å²	79.1	9%	0.093	38%	0.381	C	S	.	.			trans	-77.5	137.4	-178.1	-65.4	-60.7	0	0	0	112.2	E112 N217 E218 G313 L314 E316	E112-H215 IonicContact OE1-CE1 3.71Å; E112-H215 PolarHBondContact OE1-CE1 3.24Å; E112-H215 IonicContact OE1-ND1 3.68Å; H215-N217 PolarHBondContact O-N 3.07Å; H215-E218 PolarHBondContact O-N 3.16Å; H215-G313 PolarHBondContact NE2-O 2.98Å; H215-L314 PolarHBondContact CE1-O 3.24Å; H215-E316 HydrophobicContact CB-CB 4.4Å; H215-E316 PolarHBondContact CE1-N 3.32Å; H215-E316 VanDerWaalsContact CE1-N 3.27Å; H215-E316 PolarHBondContact ND1-N 2.72Å
216	Q	66.3	Low	63.9	Low	16 Å²	16	86.7 Å²	86.7	8%	0.075	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.4	-167.2	179.2	53.3	22.9	0	0	114.1	E128 G143 E144 W146	E128-Q216 PolarHBondContact OE2-N 2.9Å; G143-Q216 PolarHBondContact O-NE2 3.03Å; G143-Q216 PolarHBondContact O-OE1 3.29Å; E144-Q216 PolarHBondContact O-NE2 2.82Å; W146-Q216 HydrophobicContact CZ2-CB 4.08Å; W146-Q216 HydrophobicContact CZ2-CG 4.45Å
217	N	59.6	Low	61.4	Low	49 Å²	49	89.3 Å²	89.3	26%	0.262	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.5	175.8	-90.9	-42.9	0	0	0	115.6	H215 E316	H215-N217 PolarHBondContact O-N 3.07Å; N217-E316 WeakPolarHBondContact CB-OE1 3.16Å; N217-E316 PolarHBondContact ND2-OE1 2.86Å
218	E	57.1	Low	58.8	Low	80 Å²	80	95.2 Å²	95.2	37%	0.374	46%	0.459	S	S	.	.	S	Bend	trans	-66.6	-38	177.7	-68.8	-157.7	138.4	0	0	112.3	R212 H215 K220 K221	R212-E218 IonicContact CZ-OE2 2.71Å; R212-E218 VanDerWaalsContact NH2-CD 3.26Å; R212-E218 IonicContact NH2-OE1 2.7Å; R212-E218 PolarHBondContact NH2-OE1 2.8Å; R212-E218 IonicContact NH2-OE2 2.72Å; R212-E218 PolarHBondContact NH2-OE2 2.97Å; H215-E218 PolarHBondContact O-N 3.16Å; E218-K220 PolarHBondContact O-N 2.83Å; E218-K220 VanDerWaalsContact O-N 3.15Å; E218-K221 PolarHBondContact O-N 2.93Å
219	K	46.6	Very low	56.1	Low	96 Å²	96	100.3 Å²	100.3	42%	0.417	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-55.4	-34	-179.6	-70	172.9	-175.7	153.1	0	114	G143 H214 K221	G143-K219 PolarHBondContact O-NZ 2.82Å; H214-K219 WeakPolarHBondContact NE2-CE 3.33Å; K219-K221 PolarHBondContact O-N 2.83Å
220	K	44.7	Very low	53.7	Low	150 Å²	150	107.1 Å²	107.1	65%	0.652	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-68.4	-12.9	-174.2	-94.6	174.9	-175.6	152	0	115.1	E218	E218-K220 PolarHBondContact O-N 2.83Å; E218-K220 VanDerWaalsContact O-N 3.15Å
221	K	44.3	Very low	51	Low	135 Å²	135	111.2 Å²	111.2	59%	0.587	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-90.1	-8.6	-172.2	-70.5	172.7	-179.4	166	0	114.3	E218 K219 K269	E218-K221 PolarHBondContact O-N 2.93Å; K219-K221 PolarHBondContact O-N 2.83Å; K221-K269 PolarHBondContact NZ-O 3.1Å
222	N	37.1	Very low	48.2	Very low	149 Å²	149	116.9 Å²	116.9	80%	0.797	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-92.1	1.1	-179	-73.1	-7.8	0	0	0	115.3
223	L	39.9	Very low	45.6	Very low	150 Å²	150	113.7 Å²	113.7	79%	0.785	60%	0.597	S	S	*	*	S	Bend	trans	-115.8	100	167.7	-84.1	103.7	0	0	0	112
224	I	36.1	Very low	43	Very low	143 Å²	143	117.3 Å²	117.3	73%	0.733	63%	0.629	S	S	*	*			trans	30.8	106	153.6	-48.1	172.2	0	0	0	117.1	M226	I224-M226 HydrophobicContact CG2-CB 4.45Å; I224-M226 PolarHBondContact O-N 2.97Å
225	P	31.6	Very low	40.7	Very low	137 Å²	137	127.3 Å²	127.3	89%	0.89	67%	0.666	S	S	*	*			trans	-86.5	94.9	166.8	33.9	-30.7	0	0	0	111.1
226	M	31.7	Very low	38.2	Very low	161 Å²	161	136.1 Å²	136.1	79%	0.793	70%	0.704	S	S	*	*			trans	-122.2	135.9	162.8	-160.7	172.1	-74.3	0	0	109.3	I224	I224-M226 HydrophobicContact CG2-CB 4.45Å; I224-M226 PolarHBondContact O-N 2.97Å
227	V	33.8	Very low	36.2	Very low	128 Å²	128	144.6 Å²	144.6	78%	0.776	74%	0.743	S	S	*	*	S	Bend	trans	74.1	72	-174.4	-161.6	0	0	0	0	115.6
228	R	33.3	Very low	34.6	Very low	247 Å²	247	147.5 Å²	147.5	93%	0.932	77%	0.767	S	S	*	*			trans	-149.2	20.5	156	-125.8	178.7	-167	-173.1	4.3	116.8
229	S	28.9	Very low	33	Very low	110 Å²	110	150.9 Å²	150.9	77%	0.769	78%	0.783	S	S	*	*			trans	-103.6	12.8	-171.1	57.1	0	0	0	0	116.8
230	I	35	Very low	32.2	Very low	151 Å²	151	152.6 Å²	152.6	77%	0.774	80%	0.804	S	S	*	*	S	Bend	trans	-96.6	-10	-168.4	-66.7	179.2	0	0	0	114.5
231	T	31.1	Very low	31.1	Very low	142 Å²	142	152.7 Å²	152.7	87%	0.871	81%	0.806	S	S	*	*	S	Bend	trans	-106.1	9.3	-175.2	47	0	0	0	0	116.3
232	E	29.8	Very low	30.2	Very low	193 Å²	193	152.2 Å²	152.2	90%	0.902	82%	0.815	S	S	*	*	S	Bend	trans	-109.4	18.8	-177.5	-148.8	154.3	-145.3	0	0	113.7
233	G	27.4	Very low	29.6	Very low	79 Å²	79	151.2 Å²	151.2	81%	0.814	81%	0.814	S	S	*	*			trans	-105.1	31.1	-177.2	0	0	0	0	0	115.8
234	A	28.9	Very low	28.7	Very low	90 Å²	90	151.7 Å²	151.7	74%	0.744	82%	0.817	S	S	*	*			trans	-153.6	63.2	-176.5	0	0	0	0	0	115.2
235	R	31.1	Very low	28.1	Very low	248 Å²	248	147.1 Å²	147.1	94%	0.936	81%	0.805	S	S	*	*			trans	-169	79	159.5	-107.9	159	-167	-156.8	1.6	113.2
236	K	27.1	Very low	27.7	Very low	205 Å²	205	146.8 Å²	146.8	89%	0.891	81%	0.806	S	S	*	*			trans	-143.4	98.8	160.6	-79.3	-164.7	177.5	-177.4	0	110.8
237	Q	25.3	Very low	27.2	Very low	194 Å²	194	147 Å²	147	91%	0.907	81%	0.805	S	S	*	*			trans	160.6	131.5	164.7	-95.1	167.4	3.7	0	0	104.8
238	S	25.5	Very low	26.8	Very low	109 Å²	109	152.8 Å²	152.8	76%	0.762	82%	0.815	S	S	*	*			cis	-159.8	157	3.3	44.9	0	0	0	0	109.7
239	E	24.3	Very low	26.3	Very low	152 Å²	152	151.8 Å²	151.8	71%	0.71	81%	0.811	S	S	*	*			trans	-66.3	166.8	163.7	-61.1	-175.9	126.7	0	0	110.9
240	P	29.7	Very low	26	Very low	131 Å²	131	155.8 Å²	155.8	85%	0.851	82%	0.818	S	S	*	*				-134.9	161.6	91.7	36.7	-24.9	0	0	0	115.1
241	Q	22	Very low	25.4	Very low	152 Å²	152	156.7 Å²	156.7	71%	0.71	82%	0.821	S	S	*	*			trans	-83.7	165.2	-177.3	-59.8	172.2	-22.8	0	0	113.6
242	V	23.8	Very low	25.1	Very low	126 Å²	126	158.8 Å²	158.8	76%	0.764	82%	0.82	S	S	*	*				149.4	113.8	127.3	164.7	0	0	0	0	112.7
243	V	24.4	Very low	25	Very low	127 Å²	127	155.4 Å²	155.4	77%	0.77	82%	0.815	S	S	*	*			trans	48.9	129.5	141.7	-175.6	0	0	0	0	118.4
244	D	22.3	Very low	24.9	Very low	160 Å²	160	156.4 Å²	156.4	86%	0.856	82%	0.816	S	S	*	*			cis	-144.5	-178.6	17.5	-139.3	4.9	0	0	0	110
245	G	22.4	Very low	25	Very low	47 Å²	47	161.6 Å²	161.6	49%	0.485	82%	0.822	S	S	.	*			cis	171	-173.3	3.8	0	0	0	0	0	113.5
246	S	23.8	Very low	24.7	Very low	130 Å²	130	158 Å²	158	91%	0.909	82%	0.821	S	S	*	*			trans	68.7	133.1	-178	68.8	0	0	0	0	117.8
247	E	21	Very low	24.6	Very low	165 Å²	165	152.2 Å²	152.2	77%	0.771	82%	0.819	S	S	*	*			trans	-101	153	-162.2	-54.9	158.6	109.6	0	0	113.1
248	Y	25.7	Very low	24.7	Very low	250 Å²	250	148.4 Å²	148.4	98%	0.98	82%	0.821	S	S	*	*				-144.5	148.9	129	-87.4	-72.7	0	0	0	108.9
249	R	22.4	Very low	24.7	Very low	227 Å²	227	146.4 Å²	146.4	86%	0.857	82%	0.818	S	S	*	*			trans	-143.1	120.3	-156	-173.6	-169	-164.3	175.7	5.9	111.1
250	E	22.5	Very low	25.6	Very low	194 Å²	194	144.8 Å²	144.8	91%	0.907	82%	0.82	S	S	*	*			trans	-166	145.3	163.7	-105.5	165.7	-167.3	0	0	105.9
251	M	23.1	Very low	25.6	Very low	170 Å²	170	146.4 Å²	146.4	84%	0.837	82%	0.822	S	S	*	*			cis	173.7	106.2	-12.1	169.1	86.3	168.5	0	0	102.5
252	E	23.8	Very low	25.8	Very low	185 Å²	185	144.2 Å²	144.2	86%	0.864	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-73.5	138.4	174.6	-76.7	-159.8	157.4	0	0	111.2
253	P	28.3	Very low	26.2	Very low	123 Å²	123	143.5 Å²	143.5	80%	0.799	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-91.6	133.1	156.5	33.3	-28.1	0	0	0	111
254	A	25.3	Very low	26.5	Very low	100 Å²	100	146.3 Å²	146.3	83%	0.826	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-74.9	151	-178.7	0	0	0	0	0	113.4
255	K	30.8	Very low	27.4	Very low	199 Å²	199	143.3 Å²	143.3	87%	0.865	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-65.9	134.9	170.7	-75.1	176.9	172.5	175.8	0	112.1
256	N	25.2	Very low	27.9	Very low	173 Å²	173	145.2 Å²	145.2	93%	0.925	82%	0.815	S	S	*	*			trans	-175.3	140.2	140.4	-93.6	-26	0	0	0	110.9
257	G	24.6	Very low	28.7	Very low	82 Å²	82	145.6 Å²	145.6	85%	0.845	81%	0.806	S	S	*	*			trans	118.7	122.6	164.1	0	0	0	0	0	115.7
258	A	28.2	Very low	29.6	Very low	114 Å²	114	142.3 Å²	142.3	94%	0.942	80%	0.802	S	S	*	*			trans	-69.9	147.6	-172.7	0	0	0	0	0	116.4
259	G	25.4	Very low	30.5	Very low	68 Å²	68	136.6 Å²	136.6	70%	0.701	78%	0.782	S	S	*	*			trans	169.3	134.2	165.5	0	0	0	0	0	110.2
260	P	42.2	Very low	31.7	Very low	118 Å²	118	127.7 Å²	127.7	77%	0.766	75%	0.753	S	S	*	*			trans	-78	173.9	169.6	34.6	-33.5	0	0	0	111.2
261	D	31.5	Very low	33.1	Very low	164 Å²	164	122.8 Å²	122.8	88%	0.877	73%	0.733	S	S	*	*			trans	76.6	74.8	171.5	-51.2	-24.9	0	0	0	117.2
262	S	24.8	Very low	34.6	Very low	107 Å²	107	120.4 Å²	120.4	75%	0.748	72%	0.723	S	S	*	*			trans	-145.7	121.2	144.6	70.6	0	0	0	0	109.6	Q264	S262-Q264 PolarHBondContact O-N 3.26Å
263	S	33.3	Very low	36.1	Very low	111 Å²	111	117.8 Å²	117.8	78%	0.776	71%	0.71	S	S	*	*			trans	-74.3	82.2	-176.4	38.2	0	0	0	0	112.4	V265	S263-V265 PolarHBondContact O-N 2.98Å; S263-V265 VanDerWaalsContact O-N 3.13Å
264	Q	29.1	Very low	37.9	Very low	186 Å²	186	112.9 Å²	112.9	87%	0.869	68%	0.676	S	S	*	*			trans	-60.5	116.9	165	-99.5	-169.3	-17.4	0	0	109.8	S262 D266	S262-Q264 PolarHBondContact O-N 3.26Å; Q264-D266 PolarHBondContact O-N 3.43Å
265	V	41.4	Very low	39.8	Very low	97 Å²	97	111.6 Å²	111.6	59%	0.588	65%	0.654	S	S	*	*			trans	-66.4	117.8	-178	-177.9	0	0	0	0	110.1	S263 L267	S263-V265 PolarHBondContact O-N 2.98Å; S263-V265 VanDerWaalsContact O-N 3.13Å; V265-L267 VanDerWaalsContact C-N 3.29Å; V265-L267 HydrophobicContact CB-CD1 4.47Å; V265-L267 HydrophobicContact CG1-CD1 4.12Å; V265-L267 PolarHBondContact O-N 3.49Å
266	D	33	Very low	41.2	Very low	86 Å²	86	110 Å²	110	46%	0.46	65%	0.647	S	S	.	*			trans	-66.4	85.5	169.2	-113	-37.6	0	0	0	109.9	Q264 S268 K269	Q264-D266 PolarHBondContact O-N 3.43Å; D266-S268 PolarHBondContact O-N 3.39Å; D266-S268 PolarHBondContact OD1-OG 3.05Å; D266-K269 HydrophobicContact CB-CD 3.61Å; D266-K269 HydrophobicContact CB-CG 4.03Å; D266-K269 WeakPolarHBondContact O-CB 3.2Å; D266-K269 PolarHBondContact O-N 3.08Å; D266-K269 VanDerWaalsContact OD2-CE 3.31Å; D266-K269 WeakPolarHBondContact OD2-CE 3.34Å; D266-K269 IonicContact OD2-NZ 2.91Å; D266-K269 PolarHBondContact OD2-NZ 3.26Å
267	L	42.2	Very low	43.3	Very low	138 Å²	138	105.2 Å²	105.2	72%	0.723	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-58.1	-12.1	177.2	-119.2	74.7	0	0	0	113.5	V265 K269	V265-L267 VanDerWaalsContact C-N 3.29Å; V265-L267 HydrophobicContact CB-CD1 4.47Å; V265-L267 HydrophobicContact CG1-CD1 4.12Å; V265-L267 PolarHBondContact O-N 3.49Å; L267-K269 VanDerWaalsContact C-N 3.28Å; L267-K269 PolarHBondContact O-N 2.85Å
268	S	39.1	Very low	45.6	Very low	97 Å²	97	102.1 Å²	102.1	68%	0.678	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-70.3	-14.4	173.5	62.2	0	0	0	0	114.5	D266	D266-S268 PolarHBondContact O-N 3.39Å; D266-S268 PolarHBondContact OD1-OG 3.05Å
269	K	43.5	Very low	47.6	Very low	129 Å²	129	98.6 Å²	98.6	56%	0.561	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-92.2	-13.3	-171.3	-73.6	171.3	179.2	150.2	0	115.5	K221 D266 L267	K221-K269 PolarHBondContact NZ-O 3.1Å; D266-K269 HydrophobicContact CB-CD 3.61Å; D266-K269 HydrophobicContact CB-CG 4.03Å; D266-K269 WeakPolarHBondContact O-CB 3.2Å; D266-K269 PolarHBondContact O-N 3.08Å; D266-K269 VanDerWaalsContact OD2-CE 3.31Å; D266-K269 WeakPolarHBondContact OD2-CE 3.34Å; D266-K269 IonicContact OD2-NZ 2.91Å; D266-K269 PolarHBondContact OD2-NZ 3.26Å; L267-K269 VanDerWaalsContact C-N 3.28Å; L267-K269 PolarHBondContact O-N 2.85Å
270	V	48.9	Very low	49.5	Very low	41 Å²	41	105 Å²	105	25%	0.248	56%	0.561	C	S	.	*	S	Bend	trans	-84.9	137.6	-174	-175.1	0	0	0	0	111.7	L272 M275 P318	V270-L272 PolarHBondContact O-N 3.3Å; V270-M275 HydrophobicContact CG1-CG 3.88Å; V270-P318 HydrophobicContact CG2-CG 4.21Å
271	D	51.7	Low	51	Low	91 Å²	91	101.9 Å²	101.9	49%	0.487	55%	0.551	S	S	.	*			trans	-74.6	90.4	175.3	-166	-7.1	0	0	0	111.2	H273 F274 M275	D271-H273 PolarHBondContact O-N 2.92Å; D271-H273 WeakPolarHBondContact OD1-CB 3.47Å; D271-H273 PolarHBondContact OD1-N 2.81Å; D271-F274 PolarHBondContact O-N 3.33Å; D271-M275 PolarHBondContact O-N 2.9Å
272	L	54.6	Low	53.5	Low	119 Å²	119	94.6 Å²	94.6	62%	0.623	51%	0.513	S	S	*	.	H	α-helix	trans	-53.5	-12.9	179.5	-66.9	170.8	0	0	0	114.7	V270 K276	V270-L272 PolarHBondContact O-N 3.3Å; L272-K276 WeakPolarHBondContact O-CD 3.47Å; L272-K276 WeakPolarHBondContact O-CG 3.33Å
273	H	55.9	Low	56.5	Low	131 Å²	131	90.5 Å²	90.5	61%	0.606	48%	0.482	S	S	*	.	H	α-helix	trans	-82.5	-28.8	174.2	-175.1	-96.3	0	0	0	113.3	D271	D271-H273 PolarHBondContact O-N 2.92Å; D271-H273 WeakPolarHBondContact OD1-CB 3.47Å; D271-H273 PolarHBondContact OD1-N 2.81Å
274	F	64.4	Low	59.2	Low	19 Å²	19	85.2 Å²	85.2	8%	0.083	45%	0.446	C	S	.	.	H	α-helix	trans	-80.3	-43.4	175.4	-170.4	-112.6	0	0	0	111.4	F110 D271 K276 K277 I278 V317	F110-F274 HydrophobicContact CE2-CE1 4.01Å; F110-F274 AromaticContact CE2-CZ 3.96Å; F110-F274 HydrophobicContact CE2-CZ 3.96Å; F110-F274 HydrophobicContact CZ-CE1 4.2Å; F110-F274 HydrophobicContact CZ-CZ 4.49Å; D271-F274 PolarHBondContact O-N 3.33Å; F274-K276 PolarHBondContact O-N 2.91Å; F274-K276 VanDerWaalsContact O-N 3.07Å; F274-K277 HydrophobicContact CD2-CD 3.93Å; F274-K277 HydrophobicContact CE2-CD 4.34Å; F274-K277 VanDerWaalsContact O-CB 3.31Å; F274-K277 WeakPolarHBondContact O-CB 3.19Å; F274-K277 PolarHBondContact O-N 2.99Å; F274-I278 HydrophobicContact CD1-CD1 4.04Å; F274-I278 HydrophobicContact CE1-CD1 3.8Å; F274-I278 HydrophobicContact CE1-CG1 4.48Å; F274-V317 HydrophobicContact CD1-CG2 3.75Å; F274-V317 HydrophobicContact CE1-CG2 3.87Å
275	M	65	Low	62.2	Low	74 Å²	74	76.5 Å²	76.5	37%	0.365	41%	0.405	S	S	.	.	H	α-helix	trans	-48.7	-37.6	173.4	-82	-70.1	-80.4	0	0	113.5	V270 D271 K277 I278 V317	V270-M275 HydrophobicContact CG1-CG 3.88Å; D271-M275 PolarHBondContact O-N 2.9Å; M275-K277 PolarHBondContact O-N 2.81Å; M275-I278 PolarHBondContact O-N 3.15Å; M275-V317 HydrophobicContact CG-CG1 4.07Å; M275-V317 HydrophobicContact SD-CG1 3.19Å; M275-V317 WeakPolarHBondContact SD-CG1 3.43Å
276	K	61.3	Low	64.7	Low	164 Å²	164	71.9 Å²	71.9	71%	0.713	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-8	178.9	-73.1	174.7	-176.3	172.2	0	115.2	L272 F274	L272-K276 WeakPolarHBondContact O-CD 3.47Å; L272-K276 WeakPolarHBondContact O-CG 3.33Å; F274-K276 PolarHBondContact O-N 2.91Å; F274-K276 VanDerWaalsContact O-N 3.07Å
277	K	68.6	Low	67.6	Low	73 Å²	73	67.9 Å²	67.9	32%	0.317	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-19.8	174.7	-56.1	178	-178.5	177.3	0	112.3	F274 M275 P850	F274-K277 HydrophobicContact CD2-CD 3.93Å; F274-K277 HydrophobicContact CE2-CD 4.34Å; F274-K277 VanDerWaalsContact O-CB 3.31Å; F274-K277 WeakPolarHBondContact O-CB 3.19Å; F274-K277 PolarHBondContact O-N 2.99Å; M275-K277 PolarHBondContact O-N 2.81Å; K277-P850 HydrophobicContact CD-CG 3.92Å
278	I	73.5	Confident	70	Confident	18 Å²	18	61.4 Å²	61.4	9%	0.092	32%	0.322	C	S	.	.	S	Bend	trans	-87.3	138	-177.9	-56.5	-179.3	0	0	0	107.9	F274 M275 A282 V317 I319	F274-I278 HydrophobicContact CD1-CD1 4.04Å; F274-I278 HydrophobicContact CE1-CD1 3.8Å; F274-I278 HydrophobicContact CE1-CG1 4.48Å; M275-I278 PolarHBondContact O-N 3.15Å; I278-A282 HydrophobicContact CG2-CB 3.65Å; I278-V317 HydrophobicContact CD1-CG1 4.17Å; I278-I319 HydrophobicContact CD1-CD1 3.61Å; I278-I319 HydrophobicContact CG2-CD1 4.01Å
279	P	70.1	Confident	72.6	Confident	39 Å²	39	57 Å²	57	25%	0.253	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-59.7	148.5	176.7	-21.7	31.7	0	0	0	112.9	E108 G281 A282	E108-P279 HydrophobicContact CB-CB 4.34Å; E108-P279 HydrophobicContact CB-CG 3.87Å; E108-P279 VanDerWaalsContact CD-CG 3.5Å; E108-P279 HydrophobicContact CG-CG 4.19Å; E108-P279 VanDerWaalsContact OE2-CG 3.25Å; E108-P279 WeakPolarHBondContact OE2-CG 3.31Å; P279-G281 PolarHBondContact O-N 3.17Å; P279-A282 HydrophobicContact CB-CB 4.44Å; P279-A282 WeakPolarHBondContact O-CB 3.47Å; P279-A282 PolarHBondContact O-N 2.92Å
280	E	66.4	Low	74.8	Confident	202 Å²	202	51 Å²	51	94%	0.944	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	123.2	170.6	-66.1	-179.3	174.8	0	0	109.5
281	G	72.9	Confident	76.8	Confident	54 Å²	54	49.3 Å²	49.3	56%	0.557	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	24.8	-175.7	0	0	0	0	0	114.9	H107 P279	H107-G281 PolarHBondContact ND1-O 3.46Å; P279-G281 PolarHBondContact O-N 3.17Å
282	A	83	Confident	78.6	Confident	10 Å²	10	45 Å²	45	8%	0.083	23%	0.232	C	C	.	.			trans	-69.4	153.2	166	0	0	0	0	0	112	E108 I278 P279 I319	E108-A282 WeakPolarHBondContact O-CA 3.48Å; E108-A282 WeakPolarHBondContact O-CB 3.38Å; I278-A282 HydrophobicContact CG2-CB 3.65Å; P279-A282 HydrophobicContact CB-CB 4.44Å; P279-A282 WeakPolarHBondContact O-CB 3.47Å; P279-A282 PolarHBondContact O-N 2.92Å; A282-I319 WeakPolarHBondContact O-CG2 3.43Å
283	E	89.3	Confident	80	Confident	21 Å²	21	41.9 Å²	41.9	10%	0.098	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	158.8	174.6	-63.6	-171.5	157.6	0	0	110.4	H107 E108 L109 F110 A308 P320 R322 Y358	H107-E283 HydrophobicContact CB-CB 4.41Å; H107-E283 HydrophobicContact CB-CG 3.89Å; E108-E283 PolarHBondContact O-N 3.03Å; L109-E283 CarbonylContact C-O 3.54Å; L109-E283 WeakPolarHBondContact CA-O 3.31Å; L109-E283 HydrophobicContact CD2-CB 4.08Å; F110-E283 PolarHBondContact N-O 3.38Å; E283-A308 HydrophobicContact CG-CB 4.24Å; E283-A308 VanDerWaalsContact OE1-CB 3.27Å; E283-A308 WeakPolarHBondContact OE1-CB 3.24Å; E283-P320 WeakPolarHBondContact CA-O 3.46Å; E283-R322 HydrophobicContact CB-CB 4.1Å; E283-R322 WeakPolarHBondContact OE2-CB 3.3Å; E283-R322 WeakPolarHBondContact OE2-CD 3.35Å; E283-R322 WeakPolarHBondContact OE2-CG 3.49Å; E283-Y358 PolarHBondContact OE2-OH 3.12Å; E283-Y358 VanDerWaalsContact OE2-OH 3.08Å
284	A	89.6	Confident	81.3	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	145.6	-179.2	0	0	0	0	0	112.9	F110 T315 I319 P320 T321 R322 F323	F110-A284 CarbonylContact O-C 3.57Å; F110-A284 VanDerWaalsContact O-CA 3.3Å; F110-A284 WeakPolarHBondContact O-CA 3.49Å; A284-T315 HydrophobicContact CB-CG2 4.06Å; A284-I319 HydrophobicContact CB-CB 4.27Å; A284-I319 HydrophobicContact CB-CG2 3.87Å; A284-P320 PolarHBondContact N-O 2.79Å; A284-T321 WeakPolarHBondContact O-CA 3.48Å; A284-R322 PolarHBondContact O-N 2.96Å; A284-F323 PolarHBondContact O-N 3Å
285	S	92.6	Very high	82.2	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	103.8	172.7	176.7	0	0	0	0	108.8	F110 T111 E112 F323 M348	F110-S285 PolarHBondContact O-N 3.41Å; T111-S285 VanDerWaalsContact CA-O 3.31Å; T111-S285 WeakPolarHBondContact CA-O 3.3Å; T111-S285 WeakPolarHBondContact CG2-O 3.48Å; E112-S285 PolarHBondContact N-O 2.84Å; E112-S285 VanDerWaalsContact N-O 3.16Å; S285-F323 WeakPolarHBondContact CA-O 3.36Å; S285-M348 WeakPolarHBondContact OG-CE 3.33Å
286	N	92.6	Very high	82.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	133.1	-177.4	-71.3	92	0	0	0	110.7	L314 T315 T321 F323 L324 F325	N286-L314 HydrophobicContact CB-CD2 3.81Å; N286-L314 VanDerWaalsContact CG-CD2 3.43Å; N286-T315 VanDerWaalsContact ND2-CG2 3.28Å; N286-T315 WeakPolarHBondContact ND2-CG2 3.07Å; N286-T315 WeakPolarHBondContact OD1-CG2 3.45Å; N286-T321 HydrophobicContact CB-CG2 4.43Å; N286-T321 VanDerWaalsContact OD1-CG2 3.24Å; N286-T321 WeakPolarHBondContact OD1-CG2 3.42Å; N286-T321 PolarHBondContact OD1-OG1 3.11Å; N286-F323 PolarHBondContact N-O 3.31Å; N286-L324 HydrophobicContact CB-CD1 3.53Å; N286-L324 WeakPolarHBondContact O-CA 3.47Å; N286-F325 PolarHBondContact O-N 2.82Å
287	V	94.4	Very high	83.9	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	107.6	179.5	-173.5	0	0	0	0	107.5	T111 E112 L113 D114 V289 F325 A345	T111-V287 HydrophobicContact CG2-CG2 3.99Å; E112-V287 PolarHBondContact O-N 3.01Å; L113-V287 WeakPolarHBondContact CA-O 3.27Å; L113-V287 HydrophobicContact CD1-CB 3.98Å; L113-V287 HydrophobicContact CD1-CG1 3.65Å; D114-V287 PolarHBondContact N-O 3.15Å; V287-V289 HydrophobicContact CG1-CG2 4.32Å; V287-F325 HydrophobicContact CG1-CB 4.46Å; V287-F325 HydrophobicContact CG1-CD1 3.87Å; V287-A345 HydrophobicContact CG2-CB 4Å
288	L	93.4	Very high	84.8	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	112.1	-175.1	-57.4	-168.6	0	0	0	109.5	D114 W126 L324 F325 I326 L327	D114-L288 HydrophobicContact CB-CD2 3.81Å; W126-L288 HydrophobicContact CE3-CD2 4.43Å; W126-L288 HydrophobicContact CH2-CB 3.65Å; W126-L288 HydrophobicContact CZ2-CB 4.43Å; W126-L288 HydrophobicContact CZ3-CB 3.73Å; W126-L288 HydrophobicContact CZ3-CD2 4.39Å; L288-L324 HydrophobicContact CD1-CD1 3.84Å; L288-L324 HydrophobicContact CG-CD1 3.86Å; L288-F325 PolarHBondContact N-O 2.95Å; L288-I326 CarbonylContact O-C 3.57Å; L288-I326 WeakPolarHBondContact O-CA 3.21Å; L288-L327 PolarHBondContact O-N 2.67Å
289	V	93.6	Very high	85.6	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.024	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.9	-179.6	177.7	0	0	0	0	110.9	L113 D114 E115 I116 W126 V287 L327 Y337	L113-V289 HydrophobicContact CD1-CB 4.31Å; L113-V289 HydrophobicContact CD1-CG2 3.66Å; D114-V289 PolarHBondContact O-N 2.84Å; E115-V289 CarbonylContact C-O 3.56Å; E115-V289 VanDerWaalsContact CA-O 3.24Å; E115-V289 WeakPolarHBondContact CA-O 3.49Å; E115-V289 HydrophobicContact CG-CB 4.28Å; I116-V289 PolarHBondContact N-O 2.8Å; W126-V289 WeakPolarHBondContact CZ3-O 3.36Å; V287-V289 HydrophobicContact CG1-CG2 4.32Å; V289-L327 CarbonylContact C-O 3.57Å; V289-L327 WeakPolarHBondContact CA-O 3.16Å; V289-Y337 VanDerWaalsContact CG1-C 3.47Å; V289-Y337 WeakPolarHBondContact CG1-O 3.28Å
290	G	89.9	Confident	86.6	Confident	3 Å²	3	40.6 Å²	40.6	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	158.9	177.6	0	0	0	0	0	117.4	I116 L327 L328 G329	I116-G290 CarbonylContact O-C 3.6Å; I116-G290 WeakPolarHBondContact O-CA 3.43Å; G290-L327 PolarHBondContact N-O 3.09Å; G290-L328 CarbonylContact O-C 3.57Å; G290-L328 WeakPolarHBondContact O-CA 3.28Å; G290-G329 PolarHBondContact O-N 3.42Å
291	V	90.1	Very high	87.8	Confident	6 Å²	6	31 Å²	31	4%	0.036	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.1	171.8	172.1	0	0	0	0	109.1	I116 V118 G329 D331 A334 Y337	I116-V291 PolarHBondContact O-N 2.91Å; V118-V291 PolarHBondContact N-O 3.12Å; V291-G329 CarbonylContact C-O 3.58Å; V291-G329 WeakPolarHBondContact CA-O 3.25Å; V291-D331 HydrophobicContact CG1-CB 3.88Å; V291-A334 HydrophobicContact CG2-CB 3.82Å; V291-Y337 HydrophobicContact CG2-CD2 3.91Å; V291-Y337 HydrophobicContact CG2-CE2 4.28Å
292	L	88.4	Confident	88.8	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.5	174.6	-54.9	-177.3	0	0	0	108	V118 V205 A208 F294 L295 L328 G329	V118-L292 HydrophobicContact CB-CD2 3.6Å; V118-L292 HydrophobicContact CG2-CD2 3.29Å; V205-L292 HydrophobicContact CG2-CD1 4.18Å; A208-L292 HydrophobicContact CB-CD1 4.26Å; A208-L292 HydrophobicContact CB-CD2 3.94Å; L292-F294 HydrophobicContact CB-CE1 4.13Å; L292-F294 HydrophobicContact CB-CE2 4.26Å; L292-F294 HydrophobicContact CB-CZ 3.98Å; L292-F294 HydrophobicContact CD1-CE2 4.06Å; L292-F294 HydrophobicContact CD1-CZ 3.78Å; L292-F294 HydrophobicContact CD2-CE1 4.43Å; L292-F294 HydrophobicContact CD2-CZ 4.27Å; L292-F294 HydrophobicContact CG-CZ 4.23Å; L292-F294 PolarHBondContact O-N 3.36Å; L292-L295 HydrophobicContact CB-CB 4.36Å; L292-L295 HydrophobicContact CB-CD1 4.01Å; L292-L295 HydrophobicContact CB-CG 3.95Å; L292-L295 HydrophobicContact CD1-CD1 3.79Å; L292-L295 HydrophobicContact CD1-CG 4.11Å; L292-L295 HydrophobicContact CG-CD1 4.22Å; L292-L295 PolarHBondContact O-N 2.94Å; L292-L328 HydrophobicContact CD1-CB 4.12Å; L292-L328 HydrophobicContact CD1-CD1 4.06Å; L292-L328 HydrophobicContact CD1-CD2 4.35Å; L292-L328 HydrophobicContact CD1-CG 4.41Å; L292-L328 HydrophobicContact CG-CB 4.5Å; L292-L328 HydrophobicContact CG-CD2 4.42Å; L292-G329 PolarHBondContact N-O 2.95Å
293	D	84.3	Confident	89.3	Confident	54 Å²	54	28.1 Å²	28.1	29%	0.289	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.7	-178.3	54.4	-0.6	0	0	0	114.3	K119 D120	K119-D293 VanDerWaalsContact CA-OD2 3.27Å; K119-D293 WeakPolarHBondContact CA-OD2 3.45Å; D120-D293 PolarHBondContact N-OD2 2.94Å
294	F	83.6	Confident	89.5	Confident	47 Å²	47	27.3 Å²	27.3	21%	0.206	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-0.3	177.9	60	-99.4	0	0	0	115.4	V118 V201 R204 V205 L292	V118-F294 HydrophobicContact CG1-CE1 4.28Å; V201-F294 HydrophobicContact CG1-CD2 4.27Å; V201-F294 HydrophobicContact CG1-CE2 4.42Å; R204-F294 HydrophobicContact CB-CD2 4.19Å; R204-F294 HydrophobicContact CB-CE1 4.08Å; R204-F294 HydrophobicContact CB-CE2 3.51Å; R204-F294 HydrophobicContact CB-CZ 3.44Å; R204-F294 VanDerWaalsContact CB-CZ 3.44Å; V205-F294 HydrophobicContact CG2-CE2 4.08Å; L292-F294 HydrophobicContact CB-CE1 4.13Å; L292-F294 HydrophobicContact CB-CE2 4.26Å; L292-F294 HydrophobicContact CB-CZ 3.98Å; L292-F294 HydrophobicContact CD1-CE2 4.06Å; L292-F294 HydrophobicContact CD1-CZ 3.78Å; L292-F294 HydrophobicContact CD2-CE1 4.43Å; L292-F294 HydrophobicContact CD2-CZ 4.27Å; L292-F294 HydrophobicContact CG-CZ 4.23Å; L292-F294 PolarHBondContact O-N 3.36Å
295	L	83.8	Confident	89.5	Confident	8 Å²	8	27.3 Å²	27.3	4%	0.042	13%	0.131	C	C	.	.			trans	-87.4	126.4	175.1	-81.8	-176.5	0	0	0	111.4	L197 V201 V205 L292 V299 L328 P330	L197-L295 HydrophobicContact CD2-CD2 4.39Å; V201-L295 HydrophobicContact CG1-CD2 3.71Å; V205-L295 HydrophobicContact CG2-CD2 4.02Å; L292-L295 HydrophobicContact CB-CB 4.36Å; L292-L295 HydrophobicContact CB-CD1 4.01Å; L292-L295 HydrophobicContact CB-CG 3.95Å; L292-L295 HydrophobicContact CD1-CD1 3.79Å; L292-L295 HydrophobicContact CD1-CG 4.11Å; L292-L295 HydrophobicContact CG-CD1 4.22Å; L292-L295 PolarHBondContact O-N 2.94Å; L295-V299 HydrophobicContact CD1-CG2 4.17Å; L295-V299 HydrophobicContact CD2-CG2 4.1Å; L295-L328 HydrophobicContact CD1-CB 3.93Å; L295-P330 WeakPolarHBondContact O-CB 3.29Å
296	E	80	Confident	89.1	Confident	185 Å²	185	28.2 Å²	28.2	86%	0.864	14%	0.137	S	C	*	.	S	Bend	trans	-83.6	-25.4	169.3	-63.9	-168.4	168.2	0	0	113.2
297	R	82.5	Confident	88.8	Confident	163 Å²	163	31 Å²	31	62%	0.615	16%	0.155	S	C	*	.	S	Bend	trans	-131.4	148.4	-178.3	-64.6	-175.8	-174.5	174.7	5.7	110.4
298	P	87.4	Confident	88.3	Confident	67 Å²	67	32.3 Å²	32.3	44%	0.435	17%	0.166	S	C	.	.			trans	-73.1	131.6	176.6	30.4	-33.8	0	0	0	111.5	L328	P298-L328 CarbonylContact C-O 3.56Å; P298-L328 WeakPolarHBondContact CA-O 3.12Å
299	V	88.7	Confident	88	Confident	9 Å²	9	33 Å²	33	6%	0.055	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121.4	169.9	-178.4	0	0	0	0	108.3	Q191 L197 L295 L328	Q191-V299 HydrophobicContact CG-CG1 4.49Å; L197-V299 HydrophobicContact CD1-CG2 4.21Å; L197-V299 HydrophobicContact CD2-CG2 4.01Å; L295-V299 HydrophobicContact CD1-CG2 4.17Å; L295-V299 HydrophobicContact CD2-CG2 4.1Å; V299-L328 HydrophobicContact CB-CB 4.44Å; V299-L328 PolarHBondContact N-O 3.09Å; V299-L328 PolarHBondContact O-N 2.69Å
300	V	91.1	Very high	87.6	Confident	13 Å²	13	37 Å²	37	8%	0.079	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.6	179.1	-174.1	0	0	0	0	110.1	C165 S170 Q191 F325 I326 L327	C165-V300 HydrophobicContact CB-CG1 3.91Å; C165-V300 HydrophobicContact CB-CG2 4.32Å; S170-V300 PolarHBondContact N-O 2.85Å; Q191-V300 PolarHBondContact NE2-O 2.99Å; Q191-V300 VanDerWaalsContact NE2-O 3.12Å; V300-F325 HydrophobicContact CG1-CE2 4.26Å; V300-F325 HydrophobicContact CG1-CZ 4.42Å; V300-I326 WeakPolarHBondContact CA-O 3.49Å; V300-L327 HydrophobicContact CG2-CD1 3.81Å
301	A	92.3	Very high	87.3	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	133.7	171.1	0	0	0	0	0	111.9	S170 V187 F325 I326	S170-A301 CarbonylContact O-C 3.58Å; S170-A301 VanDerWaalsContact O-CA 3.32Å; S170-A301 WeakPolarHBondContact O-CA 3.33Å; V187-A301 HydrophobicContact CG1-CB 3.65Å; V187-A301 HydrophobicContact CG2-CB 4.26Å; A301-F325 WeakPolarHBondContact O-CA 3.47Å; A301-I326 HydrophobicContact CB-CB 4.35Å; A301-I326 PolarHBondContact N-O 3.14Å; A301-I326 PolarHBondContact O-N 3.36Å
302	F	94.5	Very high	86.5	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.5	164.1	177.9	-100	0	0	0	109.1	S170 V171 L172 L173 F323 F325 M344 L366	S170-F302 PolarHBondContact O-N 2.64Å; V171-F302 HydrophobicContact CG1-CD1 4.35Å; L172-F302 PolarHBondContact N-O 2.92Å; L173-F302 HydrophobicContact CD2-CD1 4.35Å; L173-F302 HydrophobicContact CD2-CE1 4.05Å; F302-F323 HydrophobicContact CE2-CD1 4.36Å; F302-F323 AromaticContact CZ-CD1 3.78Å; F302-F323 HydrophobicContact CZ-CD1 3.78Å; F302-F323 HydrophobicContact CZ-CE1 4.3Å; F302-F325 HydrophobicContact CB-CD2 4.36Å; F302-F325 HydrophobicContact CD2-CD2 4.25Å; F302-M344 HydrophobicContact CD2-CE 3.5Å; F302-M344 VanDerWaalsContact CD2-CE 3.5Å; F302-M344 HydrophobicContact CE2-CE 3.31Å; F302-M344 HydrophobicContact CZ-CE 4.39Å; F302-L366 HydrophobicContact CD1-CD1 3.59Å; F302-L366 HydrophobicContact CE1-CD1 3.57Å; F302-L366 HydrophobicContact CE1-CD2 4.15Å; F302-L366 HydrophobicContact CZ-CD1 4.48Å; F302-L366 HydrophobicContact CZ-CD2 4.49Å
303	V	93.3	Very high	85.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.2	-175.4	-173.1	0	0	0	0	110	L172 M175 V187 L305 F323 L324	L172-V303 HydrophobicContact CB-CG2 4.44Å; L172-V303 HydrophobicContact CD1-CG2 4.5Å; L172-V303 CarbonylContact O-C 3.53Å; L172-V303 VanDerWaalsContact O-CA 3.32Å; L172-V303 WeakPolarHBondContact O-CA 3.47Å; M175-V303 HydrophobicContact CB-CG1 4.05Å; M175-V303 HydrophobicContact CE-CG1 3.93Å; M175-V303 HydrophobicContact CG-CG1 4.49Å; M175-V303 HydrophobicContact SD-CG1 3.69Å; V187-V303 HydrophobicContact CG2-CG2 3.81Å; V303-L305 HydrophobicContact CG1-CD2 4.3Å; V303-F323 WeakPolarHBondContact O-CA 3.5Å; V303-L324 HydrophobicContact CB-CB 4.24Å; V303-L324 PolarHBondContact N-O 3.16Å; V303-L324 PolarHBondContact O-N 2.86Å
304	R	93	Very high	85.4	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.3	163.6	177.4	176.6	79.2	-146.7	2	108.6	L172 L173 D174 M175 F323 A357 Y358 A360	L172-R304 PolarHBondContact O-N 3.47Å; L173-R304 HydrophobicContact CD2-CB 3.93Å; D174-R304 CarbonylContact C-O 3.59Å; D174-R304 WeakPolarHBondContact CA-O 3.18Å; D174-R304 PolarHBondContact N-O 3.48Å; D174-R304 IonicContact OD1-CZ 4Å; D174-R304 IonicContact OD1-NE 2.97Å; D174-R304 PolarHBondContact OD1-NE 3.39Å; D174-R304 IonicContact OD1-NH2 3.05Å; D174-R304 PolarHBondContact OD1-NH2 2.95Å; D174-R304 VanDerWaalsContact OD1-NH2 3.09Å; D174-R304 IonicContact OD2-CZ 2.61Å; D174-R304 IonicContact OD2-NE 3.45Å; D174-R304 IonicContact OD2-NH2 3.35Å; D174-R304 PolarHBondContact OD2-NH2 3.13Å; M175-R304 PolarHBondContact N-O 3.31Å; R304-F323 HydrophobicContact CB-CD1 4.08Å; R304-F323 HydrophobicContact CB-CE1 4.05Å; R304-F323 HydrophobicContact CG-CD1 4.17Å; R304-F323 HydrophobicContact CG-CE1 3.77Å; R304-A357 WeakPolarHBondContact CD-O 3.3Å; R304-A357 PolarHBondContact NH1-O 3.04Å; R304-Y358 PolarHBondContact NH1-O 3.03Å; R304-A360 PolarHBondContact NH1-O 3.18Å; R304-A360 PolarHBondContact NH2-O 2.81Å
305	L	90.6	Very high	85	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	148.9	173.8	-60.7	171.3	0	0	0	110.8	M175 I183 V303 P307 V309 R322	M175-L305 HydrophobicContact CB-CD2 4.18Å; M175-L305 HydrophobicContact CG-CD2 4.18Å; M175-L305 CarbonylContact O-C 3.44Å; M175-L305 WeakPolarHBondContact O-CA 3.43Å; M175-L305 HydrophobicContact SD-CD2 4.26Å; I183-L305 HydrophobicContact CD1-CD1 4.1Å; I183-L305 HydrophobicContact CD1-CD2 3.94Å; I183-L305 HydrophobicContact CG1-CD2 4.12Å; V303-L305 HydrophobicContact CG1-CD2 4.3Å; L305-P307 WeakPolarHBondContact CB-O 3.38Å; L305-V309 HydrophobicContact CD1-CB 4.38Å; L305-R322 PolarHBondContact N-O 3.43Å; L305-R322 PolarHBondContact O-NE 3.34Å; L305-R322 VanDerWaalsContact O-NE 3.08Å; L305-R322 PolarHBondContact O-NH2 3.36Å
306	S	83	Confident	84.5	Confident	22 Å²	22	42 Å²	42	15%	0.154	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-50.7	-178.5	168.1	0	0	0	0	112.1	M175 R322	M175-S306 PolarHBondContact O-N 3.44Å; S306-R322 PolarHBondContact O-NH1 3.08Å; S306-R322 PolarHBondContact O-NH2 3.17Å
307	P	86.3	Confident	84.2	Confident	57 Å²	57	33.4 Å²	33.4	37%	0.37	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	151.2	152.5	34.3	-30.7	0	0	0	110.1	L305 V309	L305-P307 WeakPolarHBondContact CB-O 3.38Å; P307-V309 HydrophobicContact CB-CG2 4.46Å; P307-V309 HydrophobicContact CG-CG2 3.99Å
308	A	85.1	Confident	84	Confident	29 Å²	29	28.5 Å²	28.5	24%	0.24	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	130.2	164.7	0	0	0	0	0	109.1	E283 P320 T321 R322	E283-A308 HydrophobicContact CG-CB 4.24Å; E283-A308 VanDerWaalsContact OE1-CB 3.27Å; E283-A308 WeakPolarHBondContact OE1-CB 3.24Å; A308-P320 HydrophobicContact CB-CB 3.84Å; A308-P320 HydrophobicContact CB-CG 4.26Å; A308-T321 CarbonylContact C-O 3.55Å; A308-T321 WeakPolarHBondContact CA-O 3.28Å; A308-R322 HydrophobicContact CB-CB 4.28Å
309	V	87.3	Confident	83.9	Confident	16 Å²	16	25.7 Å²	25.7	10%	0.097	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.1	-167.9	177.9	0	0	0	0	111.1	L305 P307 L311 P320 T321	L305-V309 HydrophobicContact CD1-CB 4.38Å; P307-V309 HydrophobicContact CB-CG2 4.46Å; P307-V309 HydrophobicContact CG-CG2 3.99Å; V309-L311 HydrophobicContact CG1-CD2 4.11Å; V309-L311 PolarHBondContact O-N 2.95Å; V309-P320 CarbonylContact O-C 3.58Å; V309-P320 WeakPolarHBondContact O-CA 3.47Å; V309-T321 PolarHBondContact N-O 3.18Å; V309-T321 PolarHBondContact O-N 3.19Å
310	L	84.8	Confident	83.9	Confident	88 Å²	88	27.4 Å²	27.4	46%	0.461	18%	0.177	S	C	.	.			trans	-77.4	87.3	176.4	-175	68.9	0	0	0	110.7	T312 P318	L310-T312 PolarHBondContact O-N 3.44Å; L310-T312 VanDerWaalsContact O-N 3.11Å; L310-P318 HydrophobicContact CD1-CB 4.07Å
311	L	83.2	Confident	83.9	Confident	6 Å²	6	26.8 Å²	26.8	3%	0.031	17%	0.173	C	C	.	.			trans	-73.1	100.8	178.2	-63.8	176.2	0	0	0	110.4	I183 V309 G313 L314 T321	I183-L311 HydrophobicContact CD1-CD1 3.81Å; I183-L311 HydrophobicContact CD1-CD2 4.02Å; V309-L311 HydrophobicContact CG1-CD2 4.11Å; V309-L311 PolarHBondContact O-N 2.95Å; L311-G313 PolarHBondContact O-N 2.78Å; L311-G313 VanDerWaalsContact O-N 3.16Å; L311-L314 HydrophobicContact CB-CB 3.91Å; L311-L314 HydrophobicContact CB-CD2 4.13Å; L311-L314 HydrophobicContact CD1-CD2 3.72Å; L311-L314 PolarHBondContact O-N 3.29Å; L311-T321 HydrophobicContact CD1-CG2 4.14Å
312	T	74.6	Confident	83.8	Confident	112 Å²	112	27.3 Å²	27.3	69%	0.687	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	116.9	-172.7	52.6	0	0	0	0	112.3	L310	L310-T312 PolarHBondContact O-N 3.44Å; L310-T312 VanDerWaalsContact O-N 3.11Å
313	G	70.4	Confident	83.8	Confident	51 Å²	51	27.2 Å²	27.2	53%	0.526	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	-9.3	176.1	0	0	0	0	0	114.9	H213 H215 L311	H213-G313 WeakPolarHBondContact CB-O 3.42Å; H215-G313 PolarHBondContact NE2-O 2.98Å; L311-G313 PolarHBondContact O-N 2.78Å; L311-G313 VanDerWaalsContact O-N 3.16Å
314	L	77.9	Confident	83.8	Confident	6 Å²	6	27.2 Å²	27.2	3%	0.031	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-38.9	178.4	-162.5	85.2	0	0	0	112.2	I180 H213 H215 N286 L311 L324	I180-L314 HydrophobicContact CD1-CD1 4.11Å; I180-L314 HydrophobicContact CG1-CD1 4.28Å; H213-L314 WeakPolarHBondContact NE2-CD1 3.49Å; H215-L314 PolarHBondContact CE1-O 3.24Å; N286-L314 HydrophobicContact CB-CD2 3.81Å; N286-L314 VanDerWaalsContact CG-CD2 3.43Å; L311-L314 HydrophobicContact CB-CB 3.91Å; L311-L314 HydrophobicContact CB-CD2 4.13Å; L311-L314 HydrophobicContact CD1-CD2 3.72Å; L311-L314 PolarHBondContact O-N 3.29Å; L314-L324 HydrophobicContact CD2-CD1 4.24Å
315	T	75.5	Confident	83.9	Confident	12 Å²	12	27.2 Å²	27.2	7%	0.074	17%	0.174	C	C	.	.	S	Bend	trans	-110.5	148.3	-177.5	46.6	0	0	0	0	112	E112 A284 N286 V317	E112-T315 VanDerWaalsContact OE2-CA 3.28Å; E112-T315 WeakPolarHBondContact OE2-CA 3.33Å; E112-T315 WeakPolarHBondContact OE2-CB 3.21Å; E112-T315 WeakPolarHBondContact OE2-CG2 3.25Å; A284-T315 HydrophobicContact CB-CG2 4.06Å; N286-T315 VanDerWaalsContact ND2-CG2 3.28Å; N286-T315 WeakPolarHBondContact ND2-CG2 3.07Å; N286-T315 WeakPolarHBondContact OD1-CG2 3.45Å; T315-V317 WeakPolarHBondContact CB-O 3.24Å; T315-V317 PolarHBondContact O-N 3.48Å; T315-V317 PolarHBondContact OG1-O 2.8Å
316	E	72.5	Confident	84.1	Confident	36 Å²	36	27.3 Å²	27.3	17%	0.168	18%	0.175	C	C	.	.	S	Bend	trans	-57.7	-31.1	172	173.9	173.6	-128.4	0	0	111.5	E112 R131 H215 N217	E112-E316 PolarHBondContact OE1-N 2.74Å; E112-E316 PolarHBondContact OE2-N 3.28Å; R131-E316 IonicContact NH1-OE2 3.27Å; R131-E316 PolarHBondContact NH1-OE2 2.97Å; R131-E316 VanDerWaalsContact NH1-OE2 3.09Å; H215-E316 HydrophobicContact CB-CB 4.4Å; H215-E316 PolarHBondContact CE1-N 3.32Å; H215-E316 VanDerWaalsContact CE1-N 3.27Å; H215-E316 PolarHBondContact ND1-N 2.72Å; N217-E316 WeakPolarHBondContact CB-OE1 3.16Å; N217-E316 PolarHBondContact ND2-OE1 2.86Å
317	V	74.9	Confident	84.6	Confident	6 Å²	6	26.3 Å²	26.3	4%	0.036	17%	0.168	C	C	.	.	S	Bend	trans	-121.6	134.3	-167.8	-168.3	0	0	0	0	110.3	F274 M275 I278 T315 I319	F274-V317 HydrophobicContact CD1-CG2 3.75Å; F274-V317 HydrophobicContact CE1-CG2 3.87Å; M275-V317 HydrophobicContact CG-CG1 4.07Å; M275-V317 HydrophobicContact SD-CG1 3.19Å; M275-V317 WeakPolarHBondContact SD-CG1 3.43Å; I278-V317 HydrophobicContact CD1-CG1 4.17Å; T315-V317 WeakPolarHBondContact CB-O 3.24Å; T315-V317 PolarHBondContact O-N 3.48Å; T315-V317 PolarHBondContact OG1-O 2.8Å; V317-I319 VanDerWaalsContact C-N 3.26Å; V317-I319 HydrophobicContact CB-CD1 4.01Å; V317-I319 HydrophobicContact CB-CG1 4.25Å; V317-I319 HydrophobicContact CG1-CD1 3.79Å; V317-I319 HydrophobicContact CG1-CG1 3.9Å; V317-I319 PolarHBondContact O-N 3.45Å
318	P	77.6	Confident	84.8	Confident	59 Å²	59	23.6 Å²	23.6	38%	0.383	15%	0.15	S	C	.	.			trans	-73.2	77.5	-176.8	31.1	-37	0	0	0	112.4	V270 L310	V270-P318 HydrophobicContact CG2-CG 4.21Å; L310-P318 HydrophobicContact CD1-CB 4.07Å
319	I	85.5	Confident	85.1	Confident	9 Å²	9	22.2 Å²	22.2	5%	0.046	14%	0.139	C	C	.	.			trans	-119.9	137.4	179.1	-62.5	172.3	0	0	0	106.9	F110 I278 A282 A284 V317 T321	F110-I319 HydrophobicContact CB-CD1 4.22Å; F110-I319 HydrophobicContact CD1-CD1 4.15Å; F110-I319 HydrophobicContact CG-CD1 4.31Å; I278-I319 HydrophobicContact CD1-CD1 3.61Å; I278-I319 HydrophobicContact CG2-CD1 4.01Å; A282-I319 WeakPolarHBondContact O-CG2 3.43Å; A284-I319 HydrophobicContact CB-CB 4.27Å; A284-I319 HydrophobicContact CB-CG2 3.87Å; V317-I319 VanDerWaalsContact C-N 3.26Å; V317-I319 HydrophobicContact CB-CD1 4.01Å; V317-I319 HydrophobicContact CB-CG1 4.25Å; V317-I319 HydrophobicContact CG1-CD1 3.79Å; V317-I319 HydrophobicContact CG1-CG1 3.9Å; V317-I319 PolarHBondContact O-N 3.45Å; I319-T321 PolarHBondContact O-N 3.01Å
320	P	88.8	Confident	85.1	Confident	44 Å²	44	23.2 Å²	23.2	29%	0.286	15%	0.146	S	C	.	.			trans	-68.9	127.1	177.9	29.9	-35.3	0	0	0	110.9	E283 A284 A308 V309	E283-P320 WeakPolarHBondContact CA-O 3.46Å; A284-P320 PolarHBondContact N-O 2.79Å; A308-P320 HydrophobicContact CB-CB 3.84Å; A308-P320 HydrophobicContact CB-CG 4.26Å; V309-P320 CarbonylContact O-C 3.58Å; V309-P320 WeakPolarHBondContact O-CA 3.47Å
321	T	90.3	Very high	85	Confident	0 Å²	0	23 Å²	23	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	133.9	175.2	-57.7	0	0	0	0	110	A284 N286 A308 V309 L311 I319 F323	A284-T321 WeakPolarHBondContact O-CA 3.48Å; N286-T321 HydrophobicContact CB-CG2 4.43Å; N286-T321 VanDerWaalsContact OD1-CG2 3.24Å; N286-T321 WeakPolarHBondContact OD1-CG2 3.42Å; N286-T321 PolarHBondContact OD1-OG1 3.11Å; A308-T321 CarbonylContact C-O 3.55Å; A308-T321 WeakPolarHBondContact CA-O 3.28Å; V309-T321 PolarHBondContact N-O 3.18Å; V309-T321 PolarHBondContact O-N 3.19Å; L311-T321 HydrophobicContact CD1-CG2 4.14Å; I319-T321 PolarHBondContact O-N 3.01Å; T321-F323 WeakPolarHBondContact CG2-O 3.37Å
322	R	91.5	Very high	84.8	Confident	12 Å²	12	26.1 Å²	26.1	5%	0.045	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-37.6	176.2	-177.6	70.9	-175.9	-166.6	7.7	112.5	E103 E283 A284 L305 S306 A308 Y358	E103-R322 PolarHBondContact O-NH2 3.13Å; E283-R322 HydrophobicContact CB-CB 4.1Å; E283-R322 WeakPolarHBondContact OE2-CB 3.3Å; E283-R322 WeakPolarHBondContact OE2-CD 3.35Å; E283-R322 WeakPolarHBondContact OE2-CG 3.49Å; A284-R322 PolarHBondContact O-N 2.96Å; L305-R322 PolarHBondContact N-O 3.43Å; L305-R322 PolarHBondContact O-NE 3.34Å; L305-R322 VanDerWaalsContact O-NE 3.08Å; L305-R322 PolarHBondContact O-NH2 3.36Å; S306-R322 PolarHBondContact O-NH1 3.08Å; S306-R322 PolarHBondContact O-NH2 3.17Å; A308-R322 HydrophobicContact CB-CB 4.28Å; R322-Y358 HydrophobicContact CG-CE1 3.9Å
323	F	93.9	Very high	85.2	Confident	1 Å²	1	25.2 Å²	25.2	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.1	-177	-59.5	-81.6	0	0	0	110.5	L109 A284 S285 N286 F302 V303 R304 T321 M348 A357 Y358	L109-F323 HydrophobicContact CD1-CD2 4.19Å; L109-F323 HydrophobicContact CD1-CE2 4.15Å; L109-F323 HydrophobicContact CD2-CD2 4.04Å; L109-F323 HydrophobicContact CD2-CE2 4.16Å; A284-F323 PolarHBondContact O-N 3Å; S285-F323 WeakPolarHBondContact CA-O 3.36Å; N286-F323 PolarHBondContact N-O 3.31Å; F302-F323 HydrophobicContact CE2-CD1 4.36Å; F302-F323 AromaticContact CZ-CD1 3.78Å; F302-F323 HydrophobicContact CZ-CD1 3.78Å; F302-F323 HydrophobicContact CZ-CE1 4.3Å; V303-F323 WeakPolarHBondContact O-CA 3.5Å; R304-F323 HydrophobicContact CB-CD1 4.08Å; R304-F323 HydrophobicContact CB-CE1 4.05Å; R304-F323 HydrophobicContact CG-CD1 4.17Å; R304-F323 HydrophobicContact CG-CE1 3.77Å; T321-F323 WeakPolarHBondContact CG2-O 3.37Å; F323-M348 HydrophobicContact CB-CE 3.72Å; F323-M348 HydrophobicContact CD1-CE 3.95Å; F323-M348 HydrophobicContact CD2-CE 3.5Å; F323-M348 VanDerWaalsContact CD2-CE 3.5Å; F323-M348 HydrophobicContact CE1-CE 4.43Å; F323-M348 HydrophobicContact CE2-CE 4.04Å; F323-M348 HydrophobicContact CG-CE 3.44Å; F323-M348 VanDerWaalsContact CG-CE 3.44Å; F323-M348 HydrophobicContact CZ-CE 4.47Å; F323-A357 HydrophobicContact CE1-CB 3.83Å; F323-A357 HydrophobicContact CZ-CB 4.01Å; F323-Y358 HydrophobicContact CE2-CD1 4.32Å; F323-Y358 HydrophobicContact CE2-CD2 4.4Å; F323-Y358 AromaticContact CE2-CE1 3.9Å; F323-Y358 HydrophobicContact CE2-CE1 3.9Å; F323-Y358 AromaticContact CE2-CE2 3.96Å; F323-Y358 HydrophobicContact CE2-CE2 3.96Å; F323-Y358 AromaticContact CE2-CZ 3.68Å; F323-Y358 AromaticContact CZ-CD1 3.97Å; F323-Y358 HydrophobicContact CZ-CD1 3.97Å; F323-Y358 HydrophobicContact CZ-CD2 4.22Å; F323-Y358 HydrophobicContact CZ-CE1 4.02Å; F323-Y358 HydrophobicContact CZ-CE2 4.24Å; F323-Y358 HydrophobicContact CZ-CG 4.05Å
324	L	93.6	Very high	85.7	Confident	1 Å²	1	25 Å²	25	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	125	174.3	-172	70.1	0	0	0	108.9	I180 I183 N286 L288 V303 L314 I326	I180-L324 HydrophobicContact CD1-CD2 4.19Å; I183-L324 HydrophobicContact CG2-CD2 3.74Å; N286-L324 HydrophobicContact CB-CD1 3.53Å; N286-L324 WeakPolarHBondContact O-CA 3.47Å; L288-L324 HydrophobicContact CD1-CD1 3.84Å; L288-L324 HydrophobicContact CG-CD1 3.86Å; V303-L324 HydrophobicContact CB-CB 4.24Å; V303-L324 PolarHBondContact N-O 3.16Å; V303-L324 PolarHBondContact O-N 2.86Å; L314-L324 HydrophobicContact CD2-CD1 4.24Å; L324-I326 HydrophobicContact CD2-CD1 3.9Å; L324-I326 HydrophobicContact CD2-CG1 4.09Å; L324-I326 HydrophobicContact CG-CD1 4.38Å; L324-I326 HydrophobicContact CG-CG1 4.02Å
325	F	95.2	Very high	86	Confident	3 Å²	3	31.7 Å²	31.7	1%	0.013	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.8	170.3	179.2	-96.5	0	0	0	108.7	L162 N286 V287 L288 V300 A301 F302 L327 I340 M344	L162-F325 HydrophobicContact CD1-CE1 4.47Å; L162-F325 HydrophobicContact CD1-CE2 3.91Å; L162-F325 HydrophobicContact CD1-CZ 3.68Å; N286-F325 PolarHBondContact O-N 2.82Å; V287-F325 HydrophobicContact CG1-CB 4.46Å; V287-F325 HydrophobicContact CG1-CD1 3.87Å; L288-F325 PolarHBondContact N-O 2.95Å; V300-F325 HydrophobicContact CG1-CE2 4.26Å; V300-F325 HydrophobicContact CG1-CZ 4.42Å; A301-F325 WeakPolarHBondContact O-CA 3.47Å; F302-F325 HydrophobicContact CB-CD2 4.36Å; F302-F325 HydrophobicContact CD2-CD2 4.25Å; F325-L327 HydrophobicContact CD1-CB 4.48Å; F325-L327 HydrophobicContact CE1-CB 3.75Å; F325-L327 HydrophobicContact CE1-CD2 4.37Å; F325-L327 HydrophobicContact CZ-CB 4.3Å; F325-I340 HydrophobicContact CZ-CG2 4.42Å; F325-M344 HydrophobicContact CB-CE 4.46Å; F325-M344 HydrophobicContact CB-CG 4.1Å; F325-M344 HydrophobicContact CD1-CB 4.34Å; F325-M344 HydrophobicContact CD1-CG 4.06Å; F325-M344 HydrophobicContact CD2-CE 4.24Å; F325-M344 HydrophobicContact CD2-CG 4.02Å; F325-M344 HydrophobicContact CD2-SD 4.43Å; F325-M344 HydrophobicContact CE1-CB 4.42Å; F325-M344 HydrophobicContact CE1-CG 4.46Å; F325-M344 HydrophobicContact CE2-CG 4.44Å; F325-M344 HydrophobicContact CG-CG 3.79Å
326	I	94.2	Very high	86.6	Confident	4 Å²	4	34.2 Å²	34.2	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.4	-179.1	-52.1	175.3	0	0	0	108.2	L209 L288 V300 A301 L324 L328	L209-I326 HydrophobicContact CD2-CD1 4.13Å; L209-I326 HydrophobicContact CD2-CG2 3.84Å; L288-I326 CarbonylContact O-C 3.57Å; L288-I326 WeakPolarHBondContact O-CA 3.21Å; V300-I326 WeakPolarHBondContact CA-O 3.49Å; A301-I326 HydrophobicContact CB-CB 4.35Å; A301-I326 PolarHBondContact N-O 3.14Å; A301-I326 PolarHBondContact O-N 3.36Å; L324-I326 HydrophobicContact CD2-CD1 3.9Å; L324-I326 HydrophobicContact CD2-CG1 4.09Å; L324-I326 HydrophobicContact CG-CD1 4.38Å; L324-I326 HydrophobicContact CG-CG1 4.02Å; I326-L328 HydrophobicContact CG2-CD1 4.11Å; I326-L328 HydrophobicContact CG2-CG 4.05Å
327	L	93.6	Very high	87.5	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	103.2	173.8	172.5	62.5	0	0	0	109.5	L288 V289 G290 V300 F325 Y337 I340	L288-L327 PolarHBondContact O-N 2.67Å; V289-L327 CarbonylContact C-O 3.57Å; V289-L327 WeakPolarHBondContact CA-O 3.16Å; G290-L327 PolarHBondContact N-O 3.09Å; V300-L327 HydrophobicContact CG2-CD1 3.81Å; F325-L327 HydrophobicContact CD1-CB 4.48Å; F325-L327 HydrophobicContact CE1-CB 3.75Å; F325-L327 HydrophobicContact CE1-CD2 4.37Å; F325-L327 HydrophobicContact CZ-CB 4.3Å; L327-Y337 HydrophobicContact CD1-CD1 4.39Å; L327-Y337 HydrophobicContact CD2-CD1 4.06Å; L327-Y337 HydrophobicContact CD2-CG 4.44Å; L327-Y337 HydrophobicContact CG-CD1 4.27Å; L327-I340 HydrophobicContact CD2-CB 3.8Å; L327-I340 HydrophobicContact CD2-CD1 4.17Å; L327-I340 HydrophobicContact CD2-CG2 3.56Å
328	L	91.3	Very high	88.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	133	176.9	-63.1	170.3	0	0	0	109.2	I116 W126 V205 L209 G290 L292 L295 P298 V299 I326	I116-L328 HydrophobicContact CG2-CD2 4.23Å; W126-L328 HydrophobicContact CH2-CD2 3.91Å; W126-L328 HydrophobicContact CZ2-CD2 4.36Å; V205-L328 HydrophobicContact CG1-CD1 3.86Å; L209-L328 HydrophobicContact CD2-CD1 3.98Å; L209-L328 HydrophobicContact CG-CD1 4.26Å; G290-L328 CarbonylContact O-C 3.57Å; G290-L328 WeakPolarHBondContact O-CA 3.28Å; L292-L328 HydrophobicContact CD1-CB 4.12Å; L292-L328 HydrophobicContact CD1-CD1 4.06Å; L292-L328 HydrophobicContact CD1-CD2 4.35Å; L292-L328 HydrophobicContact CD1-CG 4.41Å; L292-L328 HydrophobicContact CG-CB 4.5Å; L292-L328 HydrophobicContact CG-CD2 4.42Å; L295-L328 HydrophobicContact CD1-CB 3.93Å; P298-L328 CarbonylContact C-O 3.56Å; P298-L328 WeakPolarHBondContact CA-O 3.12Å; V299-L328 HydrophobicContact CB-CB 4.44Å; V299-L328 PolarHBondContact N-O 3.09Å; V299-L328 PolarHBondContact O-N 2.69Å; I326-L328 HydrophobicContact CG2-CD1 4.11Å; I326-L328 HydrophobicContact CG2-CG 4.05Å
329	G	89.9	Confident	88.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	173	-177.8	0	0	0	0	0	116.1	G290 V291 L292	G290-G329 PolarHBondContact O-N 3.42Å; V291-G329 CarbonylContact C-O 3.58Å; V291-G329 WeakPolarHBondContact CA-O 3.25Å; L292-G329 PolarHBondContact N-O 2.95Å
330	P	88.1	Confident	89.1	Confident	36 Å²	36	33.1 Å²	33.1	23%	0.234	19%	0.189	C	C	.	.			trans	-55.6	157.4	177.3	16.4	-30.3	0	0	0	114.4	L295 Y337	L295-P330 WeakPolarHBondContact O-CB 3.29Å; P330-Y337 WeakPolarHBondContact CD-OH 3.24Å; P330-Y337 WeakPolarHBondContact O-CE2 3.49Å
331	D	81.8	Confident	89.3	Confident	84 Å²	84	31 Å²	31	45%	0.449	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	153	171.8	-160.9	14.5	0	0	0	112.5	K119 V291	K119-D331 IonicContact NZ-OD1 2.7Å; K119-D331 PolarHBondContact NZ-OD1 3.37Å; K119-D331 IonicContact NZ-OD2 2.77Å; K119-D331 PolarHBondContact NZ-OD2 3.06Å; V291-D331 HydrophobicContact CG1-CB 3.88Å
332	G	79.6	Confident	89.4	Confident	71 Å²	71	32 Å²	32	73%	0.732	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.7	-9.6	-177	0	0	0	0	0	115.9
333	K	82.4	Confident	89.4	Confident	93 Å²	93	31.4 Å²	31.4	40%	0.404	18%	0.177	S	C	.	.			trans	-120.2	16.3	179.9	-78	-175.4	163.5	-119.2	0	115.8	Q335 Q336 Y337	K333-Q335 VanDerWaalsContact C-N 3.34Å; K333-Q335 PolarHBondContact O-N 2.97Å; K333-Q335 VanDerWaalsContact O-N 3.13Å; K333-Q336 VanDerWaalsContact CE-OE1 3.3Å; K333-Q336 WeakPolarHBondContact O-CB 3.07Å; K333-Q336 PolarHBondContact O-N 2.89Å; K333-Y337 HydrophobicContact CB-CD2 4.24Å; K333-Y337 HydrophobicContact CB-CE1 4.13Å; K333-Y337 HydrophobicContact CB-CE2 3.65Å; K333-Y337 PolarHBondContact O-N 3.28Å; K333-Y337 VanDerWaalsContact O-N 3.15Å
334	A	82.3	Confident	89.4	Confident	48 Å²	48	31.5 Å²	31.5	40%	0.397	18%	0.177	S	C	.	.	H	α-helix	trans	-44.9	-49.9	-174.8	0	0	0	0	0	114.9	V291 Q336 Y337 H338	V291-A334 HydrophobicContact CG2-CB 3.82Å; A334-Q336 PolarHBondContact O-N 3.45Å; A334-Y337 PolarHBondContact O-N 3.33Å; A334-H338 PolarHBondContact O-N 3.44Å
335	Q	84.6	Confident	89.3	Confident	146 Å²	146	31.4 Å²	31.4	68%	0.682	18%	0.177	S	C	*	.	H	α-helix	trans	-66.1	-35.5	-179.2	-70.7	-66.5	-28.7	0	0	113.1	K333 H338 E339	K333-Q335 VanDerWaalsContact C-N 3.34Å; K333-Q335 PolarHBondContact O-N 2.97Å; K333-Q335 VanDerWaalsContact O-N 3.13Å; Q335-H338 PolarHBondContact O-N 2.79Å; Q335-E339 WeakPolarHBondContact O-CG 3.44Å; Q335-E339 PolarHBondContact O-N 2.88Å
336	Q	88	Confident	89.1	Confident	65 Å²	65	31.5 Å²	31.5	30%	0.304	18%	0.178	S	C	.	.	H	α-helix	trans	-65.9	-41.9	175.3	-67.7	179	-17.5	0	0	110.7	K333 A334 E339 I340	K333-Q336 VanDerWaalsContact CE-OE1 3.3Å; K333-Q336 WeakPolarHBondContact O-CB 3.07Å; K333-Q336 PolarHBondContact O-N 2.89Å; A334-Q336 PolarHBondContact O-N 3.45Å; Q336-E339 PolarHBondContact O-N 3.06Å; Q336-I340 WeakPolarHBondContact O-CD1 3.08Å; Q336-I340 VanDerWaalsContact O-CG1 3.24Å; Q336-I340 WeakPolarHBondContact O-CG1 3.34Å; Q336-I340 PolarHBondContact O-N 3.03Å
337	Y	90.6	Very high	88.9	Confident	15 Å²	15	31.3 Å²	31.3	6%	0.059	18%	0.177	C	C	.	.	H	α-helix	trans	-65.4	-41.4	177.1	-55.8	-37.6	0	0	0	112.2	V289 V291 L327 P330 K333 A334 I340 G341	V289-Y337 VanDerWaalsContact CG1-C 3.47Å; V289-Y337 WeakPolarHBondContact CG1-O 3.28Å; V291-Y337 HydrophobicContact CG2-CD2 3.91Å; V291-Y337 HydrophobicContact CG2-CE2 4.28Å; L327-Y337 HydrophobicContact CD1-CD1 4.39Å; L327-Y337 HydrophobicContact CD2-CD1 4.06Å; L327-Y337 HydrophobicContact CD2-CG 4.44Å; L327-Y337 HydrophobicContact CG-CD1 4.27Å; P330-Y337 WeakPolarHBondContact CD-OH 3.24Å; P330-Y337 WeakPolarHBondContact O-CE2 3.49Å; K333-Y337 HydrophobicContact CB-CD2 4.24Å; K333-Y337 HydrophobicContact CB-CE1 4.13Å; K333-Y337 HydrophobicContact CB-CE2 3.65Å; K333-Y337 PolarHBondContact O-N 3.28Å; K333-Y337 VanDerWaalsContact O-N 3.15Å; A334-Y337 PolarHBondContact O-N 3.33Å; Y337-I340 HydrophobicContact CD1-CD1 4.38Å; Y337-I340 PolarHBondContact O-N 3.47Å; Y337-G341 PolarHBondContact O-N 2.8Å
338	H	90.6	Very high	88.7	Confident	24 Å²	24	31.2 Å²	31.2	11%	0.111	18%	0.177	C	C	.	.	H	α-helix	trans	-56.9	-50.3	171.4	171.1	82.2	0	0	0	111.4	E115 A334 Q335 I340 G341 R342	E115-H338 IonicContact OE1-CE1 2.68Å; E115-H338 IonicContact OE1-CG 2.8Å; E115-H338 IonicContact OE1-ND1 3.73Å; E115-H338 PolarHBondContact OE1-ND1 3.34Å; A334-H338 PolarHBondContact O-N 3.44Å; Q335-H338 PolarHBondContact O-N 2.79Å; H338-I340 VanDerWaalsContact C-N 3.33Å; H338-I340 PolarHBondContact O-N 3.42Å; H338-G341 PolarHBondContact O-N 2.99Å; H338-G341 VanDerWaalsContact O-N 3.17Å; H338-R342 PolarHBondContact CD2-NH1 2.94Å; H338-R342 PolarHBondContact NE2-NH1 3.08Å; H338-R342 WeakPolarHBondContact O-CB 3.49Å; H338-R342 PolarHBondContact O-N 3.38Å
339	E	89.6	Confident	88.4	Confident	42 Å²	42	33.4 Å²	33.4	20%	0.196	19%	0.19	C	C	.	.	H	α-helix	trans	-60.3	-38	178	-72.4	-74.2	144.4	0	0	112.8	Q335 Q336 R342 S343	Q335-E339 WeakPolarHBondContact O-CG 3.44Å; Q335-E339 PolarHBondContact O-N 2.88Å; Q336-E339 PolarHBondContact O-N 3.06Å; E339-R342 VanDerWaalsContact CD-NH1 3.28Å; E339-R342 IonicContact OE1-CZ 3.99Å; E339-R342 VanDerWaalsContact OE1-CZ 3.24Å; E339-R342 IonicContact OE1-NH1 2.7Å; E339-R342 PolarHBondContact OE1-NH1 3.3Å; E339-R342 IonicContact OE1-NH2 3.84Å; E339-R342 PolarHBondContact OE1-NH2 2.92Å; E339-R342 IonicContact OE2-CZ 3.09Å; E339-R342 IonicContact OE2-NH1 3.55Å; E339-R342 IonicContact OE2-NH2 2.97Å; E339-R342 PolarHBondContact OE2-NH2 3.48Å; E339-S343 VanDerWaalsContact O-CB 3.29Å; E339-S343 WeakPolarHBondContact O-CB 3.46Å; E339-S343 PolarHBondContact O-N 2.82Å; E339-S343 PolarHBondContact O-OG 3.07Å
340	I	92.3	Very high	88.2	Confident	5 Å²	5	34.1 Å²	34.1	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-44.3	174.8	-66.9	161	0	0	0	110.6	E161 L162 F325 L327 Q336 Y337 H338 S343 M344	E161-I340 HydrophobicContact CB-CD1 3.72Å; E161-I340 HydrophobicContact CB-CG1 3.87Å; L162-I340 HydrophobicContact CB-CG2 4.09Å; L162-I340 HydrophobicContact CD1-CG2 4.01Å; F325-I340 HydrophobicContact CZ-CG2 4.42Å; L327-I340 HydrophobicContact CD2-CB 3.8Å; L327-I340 HydrophobicContact CD2-CD1 4.17Å; L327-I340 HydrophobicContact CD2-CG2 3.56Å; Q336-I340 WeakPolarHBondContact O-CD1 3.08Å; Q336-I340 VanDerWaalsContact O-CG1 3.24Å; Q336-I340 WeakPolarHBondContact O-CG1 3.34Å; Q336-I340 PolarHBondContact O-N 3.03Å; Y337-I340 HydrophobicContact CD1-CD1 4.38Å; Y337-I340 PolarHBondContact O-N 3.47Å; H338-I340 VanDerWaalsContact C-N 3.33Å; H338-I340 PolarHBondContact O-N 3.42Å; I340-S343 WeakPolarHBondContact O-CB 3.3Å; I340-S343 PolarHBondContact O-N 2.68Å; I340-M344 PolarHBondContact O-N 3.11Å
341	G	92.1	Very high	87.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-49.2	174	0	0	0	0	0	112.4	Y337 H338 S343 M344 A345	Y337-G341 PolarHBondContact O-N 2.8Å; H338-G341 PolarHBondContact O-N 2.99Å; H338-G341 VanDerWaalsContact O-N 3.17Å; G341-S343 VanDerWaalsContact C-N 3.26Å; G341-S343 PolarHBondContact O-N 3.21Å; G341-M344 PolarHBondContact O-N 2.79Å; G341-M344 VanDerWaalsContact O-N 3.15Å; G341-A345 WeakPolarHBondContact O-CB 3.49Å; G341-A345 PolarHBondContact O-N 2.72Å
342	R	92.1	Very high	87.9	Confident	21 Å²	21	31.8 Å²	31.8	8%	0.079	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-36.4	176.6	-150.5	173	71.5	-107.3	-5.9	111.9	L113 W132 E136 T153 H338 E339 T346	L113-R342 HydrophobicContact CD2-CB 4.41Å; W132-R342 HydrophobicContact CH2-CG 3.76Å; W132-R342 HydrophobicContact CZ2-CG 3.42Å; W132-R342 VanDerWaalsContact CZ2-CG 3.42Å; E136-R342 IonicContact OE1-NE 3.73Å; T153-R342 PolarHBondContact O-NH2 3.32Å; H338-R342 PolarHBondContact CD2-NH1 2.94Å; H338-R342 PolarHBondContact NE2-NH1 3.08Å; H338-R342 WeakPolarHBondContact O-CB 3.49Å; H338-R342 PolarHBondContact O-N 3.38Å; E339-R342 VanDerWaalsContact CD-NH1 3.28Å; E339-R342 IonicContact OE1-CZ 3.99Å; E339-R342 VanDerWaalsContact OE1-CZ 3.24Å; E339-R342 IonicContact OE1-NH1 2.7Å; E339-R342 PolarHBondContact OE1-NH1 3.3Å; E339-R342 IonicContact OE1-NH2 3.84Å; E339-R342 PolarHBondContact OE1-NH2 2.92Å; E339-R342 IonicContact OE2-CZ 3.09Å; E339-R342 IonicContact OE2-NH1 3.55Å; E339-R342 IonicContact OE2-NH2 2.97Å; E339-R342 PolarHBondContact OE2-NH2 3.48Å; R342-T346 VanDerWaalsContact O-CB 3.28Å; R342-T346 WeakPolarHBondContact O-CB 3.45Å; R342-T346 PolarHBondContact O-N 3.44Å; R342-T346 PolarHBondContact O-OG1 2.78Å
343	S	92.2	Very high	88.4	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.6	-46.6	173.7	-58.2	0	0	0	0	112.1	S158 E339 I340 G341 T346 I347	S158-S343 WeakPolarHBondContact CB-OG 3.14Å; S158-S343 PolarHBondContact OG-OG 2.86Å; E339-S343 VanDerWaalsContact O-CB 3.29Å; E339-S343 WeakPolarHBondContact O-CB 3.46Å; E339-S343 PolarHBondContact O-N 2.82Å; E339-S343 PolarHBondContact O-OG 3.07Å; I340-S343 WeakPolarHBondContact O-CB 3.3Å; I340-S343 PolarHBondContact O-N 2.68Å; G341-S343 VanDerWaalsContact C-N 3.26Å; G341-S343 PolarHBondContact O-N 3.21Å; S343-T346 PolarHBondContact O-N 3.41Å; S343-I347 WeakPolarHBondContact O-CB 3.34Å; S343-I347 WeakPolarHBondContact O-CG1 3.48Å; S343-I347 PolarHBondContact O-N 3.36Å
344	M	93.6	Very high	88.6	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-46.2	177.1	-176.2	57.2	-176	0	0	111.3	L162 F302 F325 I340 G341 T346 I347 M348 F353	L162-M344 HydrophobicContact CD1-CB 3.86Å; L162-M344 HydrophobicContact CD1-CG 4.24Å; L162-M344 HydrophobicContact CD1-SD 4Å; L162-M344 HydrophobicContact CD2-CB 3.94Å; L162-M344 HydrophobicContact CD2-SD 4.07Å; F302-M344 HydrophobicContact CD2-CE 3.5Å; F302-M344 VanDerWaalsContact CD2-CE 3.5Å; F302-M344 HydrophobicContact CE2-CE 3.31Å; F302-M344 HydrophobicContact CZ-CE 4.39Å; F325-M344 HydrophobicContact CB-CE 4.46Å; F325-M344 HydrophobicContact CB-CG 4.1Å; F325-M344 HydrophobicContact CD1-CB 4.34Å; F325-M344 HydrophobicContact CD1-CG 4.06Å; F325-M344 HydrophobicContact CD2-CE 4.24Å; F325-M344 HydrophobicContact CD2-CG 4.02Å; F325-M344 HydrophobicContact CD2-SD 4.43Å; F325-M344 HydrophobicContact CE1-CB 4.42Å; F325-M344 HydrophobicContact CE1-CG 4.46Å; F325-M344 HydrophobicContact CE2-CG 4.44Å; F325-M344 HydrophobicContact CG-CG 3.79Å; I340-M344 PolarHBondContact O-N 3.11Å; G341-M344 PolarHBondContact O-N 2.79Å; G341-M344 VanDerWaalsContact O-N 3.15Å; M344-T346 VanDerWaalsContact C-N 3.34Å; M344-T346 PolarHBondContact O-N 3.08Å; M344-I347 PolarHBondContact O-N 2.6Å; M344-M348 HydrophobicContact CE-CG 3.9Å; M344-M348 HydrophobicContact CE-SD 3.85Å; M344-M348 WeakPolarHBondContact O-CG 3.33Å; M344-M348 PolarHBondContact O-N 2.91Å; M344-M348 HydrophobicContact SD-CG 4.47Å; M344-F353 HydrophobicContact CE-CE1 4.49Å
345	A	91.5	Very high	88.8	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.1	-44.7	179.4	0	0	0	0	0	111.8	T111 W132 V287 G341 M348 T349	T111-A345 HydrophobicContact CG2-CB 3.67Å; W132-A345 HydrophobicContact CD2-CB 3.97Å; W132-A345 HydrophobicContact CE3-CB 3.5Å; W132-A345 VanDerWaalsContact CE3-CB 3.5Å; W132-A345 HydrophobicContact CH2-CB 3.65Å; W132-A345 HydrophobicContact CZ2-CB 4.06Å; W132-A345 HydrophobicContact CZ3-CB 3.34Å; V287-A345 HydrophobicContact CG2-CB 4Å; G341-A345 WeakPolarHBondContact O-CB 3.49Å; G341-A345 PolarHBondContact O-N 2.72Å; A345-M348 PolarHBondContact O-N 2.69Å; A345-T349 WeakPolarHBondContact O-CG2 3.49Å
346	T	89.9	Confident	89	Confident	4 Å²	4	16.7 Å²	16.7	3%	0.025	8%	0.081	C	C	.	.	H	α-helix	trans	-63.7	-44.6	175.9	-63	0	0	0	0	112.1	V51 W132 A152 L154 R342 S343 M344 M348 T349	V51-T346 HydrophobicContact CG2-CG2 3.74Å; W132-T346 PolarHBondContact NE1-OG1 3.49Å; A152-T346 HydrophobicContact CB-CG2 3.66Å; L154-T346 HydrophobicContact CD1-CG2 3.86Å; L154-T346 HydrophobicContact CG-CG2 4.32Å; R342-T346 VanDerWaalsContact O-CB 3.28Å; R342-T346 WeakPolarHBondContact O-CB 3.45Å; R342-T346 PolarHBondContact O-N 3.44Å; R342-T346 PolarHBondContact O-OG1 2.78Å; S343-T346 PolarHBondContact O-N 3.41Å; M344-T346 VanDerWaalsContact C-N 3.34Å; M344-T346 PolarHBondContact O-N 3.08Å; T346-M348 VanDerWaalsContact C-N 3.32Å; T346-M348 PolarHBondContact O-N 2.97Å; T346-T349 PolarHBondContact O-N 3.3Å; T346-T349 VanDerWaalsContact O-N 3.09Å; T346-T349 PolarHBondContact O-OG1 2.92Å
347	I	90.9	Very high	89.1	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.1	-40.2	177.4	-76.6	166	0	0	0	111.2	L159 L162 S343 M344 T349 D350 F353 F373	L159-I347 HydrophobicContact CD2-CD1 3.45Å; L159-I347 VanDerWaalsContact CD2-CD1 3.45Å; L159-I347 HydrophobicContact CD2-CG1 4.21Å; L162-I347 HydrophobicContact CD2-CD1 3.64Å; S343-I347 WeakPolarHBondContact O-CB 3.34Å; S343-I347 WeakPolarHBondContact O-CG1 3.48Å; S343-I347 PolarHBondContact O-N 3.36Å; M344-I347 PolarHBondContact O-N 2.6Å; I347-T349 PolarHBondContact O-N 3.45Å; I347-T349 VanDerWaalsContact O-N 3.09Å; I347-D350 PolarHBondContact O-N 2.88Å; I347-F353 HydrophobicContact CG2-CB 3.74Å; I347-F353 HydrophobicContact CG2-CD1 3.32Å; I347-F353 HydrophobicContact CG2-CD2 3.53Å; I347-F353 HydrophobicContact CG2-CE1 3.71Å; I347-F353 HydrophobicContact CG2-CE2 3.93Å; I347-F353 HydrophobicContact CG2-CG 3.19Å; I347-F353 HydrophobicContact CG2-CZ 4Å; I347-F373 HydrophobicContact CD1-CD1 4.07Å; I347-F373 HydrophobicContact CD1-CE1 4.11Å; I347-F373 HydrophobicContact CG1-CD1 3.76Å; I347-F373 HydrophobicContact CG1-CD2 4.21Å; I347-F373 HydrophobicContact CG1-CE1 3.59Å; I347-F373 HydrophobicContact CG1-CE2 4.05Å; I347-F373 HydrophobicContact CG1-CG 4.07Å; I347-F373 HydrophobicContact CG1-CZ 3.74Å
348	M	89.3	Confident	89	Confident	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62	-15.5	176.3	-70.7	-63.9	-72.5	0	0	114	L109 S285 F323 M344 A345 T346 F353 A357	L109-M348 HydrophobicContact CD1-CE 3.86Å; S285-M348 WeakPolarHBondContact OG-CE 3.33Å; F323-M348 HydrophobicContact CB-CE 3.72Å; F323-M348 HydrophobicContact CD1-CE 3.95Å; F323-M348 HydrophobicContact CD2-CE 3.5Å; F323-M348 VanDerWaalsContact CD2-CE 3.5Å; F323-M348 HydrophobicContact CE1-CE 4.43Å; F323-M348 HydrophobicContact CE2-CE 4.04Å; F323-M348 HydrophobicContact CG-CE 3.44Å; F323-M348 VanDerWaalsContact CG-CE 3.44Å; F323-M348 HydrophobicContact CZ-CE 4.47Å; M344-M348 HydrophobicContact CE-CG 3.9Å; M344-M348 HydrophobicContact CE-SD 3.85Å; M344-M348 WeakPolarHBondContact O-CG 3.33Å; M344-M348 PolarHBondContact O-N 2.91Å; M344-M348 HydrophobicContact SD-CG 4.47Å; A345-M348 PolarHBondContact O-N 2.69Å; T346-M348 VanDerWaalsContact C-N 3.32Å; T346-M348 PolarHBondContact O-N 2.97Å; M348-F353 HydrophobicContact SD-CD1 3.83Å; M348-F353 HydrophobicContact SD-CE1 3.61Å; M348-A357 HydrophobicContact SD-CB 4.46Å
349	T	84.7	Confident	88.9	Confident	46 Å²	46	13.8 Å²	13.8	28%	0.282	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-12.2	174.8	71.3	0	0	0	0	114.5	W132 A345 T346 I347	W132-T349 HydrophobicContact CB-CG2 3.39Å; W132-T349 HydrophobicContact CG-CG2 3.89Å; A345-T349 WeakPolarHBondContact O-CG2 3.49Å; T346-T349 PolarHBondContact O-N 3.3Å; T346-T349 VanDerWaalsContact O-N 3.09Å; T346-T349 PolarHBondContact O-OG1 2.92Å; I347-T349 PolarHBondContact O-N 3.45Å; I347-T349 VanDerWaalsContact O-N 3.09Å
350	D	85.8	Confident	88.8	Confident	15 Å²	15	11.8 Å²	11.8	8%	0.08	6%	0.058	C	C	.	.	S	Bend	trans	-77.3	134.3	-179.4	179.8	74.9	0	0	0	111.9	I347 I352 F353 H354 F373 Q400 R403	I347-D350 PolarHBondContact O-N 2.88Å; D350-I352 PolarHBondContact O-N 3.36Å; D350-I352 WeakPolarHBondContact OD2-CA 3.42Å; D350-I352 VanDerWaalsContact OD2-CB 3.27Å; D350-I352 WeakPolarHBondContact OD2-CB 3.37Å; D350-I352 PolarHBondContact OD2-N 3.25Å; D350-F353 PolarHBondContact O-N 3.15Å; D350-F353 PolarHBondContact OD2-N 3.1Å; D350-H354 PolarHBondContact O-CD2 3.36Å; D350-H354 VanDerWaalsContact O-CD2 3.25Å; D350-H354 PolarHBondContact O-N 3.27Å; D350-H354 VanDerWaalsContact O-N 3.1Å; D350-F373 HydrophobicContact CB-CD2 4.27Å; D350-F373 HydrophobicContact CB-CE2 4.3Å; D350-Q400 PolarHBondContact OD1-NE2 3.41Å; D350-Q400 PolarHBondContact OD1-OE1 2.76Å; D350-Q400 PolarHBondContact OD2-OE1 2.6Å; D350-R403 IonicContact OD1-NH1 3.61Å; D350-R403 IonicContact OD1-NH2 3.59Å; D350-R403 PolarHBondContact OD1-NH2 2.92Å; D350-R403 IonicContact OD2-NH1 3.88Å
351	E	81.1	Confident	88.5	Confident	68 Å²	68	18.9 Å²	18.9	32%	0.318	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-4.6	-176.9	-46.2	177.2	-172.7	0	0	114.2	H354 N355 Q400 K404	E351-H354 VanDerWaalsContact C-CD2 3.41Å; E351-H354 WeakPolarHBondContact CA-CD2 3.42Å; E351-H354 WeakPolarHBondContact CA-NE2 3.43Å; E351-H354 PolarHBondContact O-CD2 3.39Å; E351-H354 PolarHBondContact O-NE2 2.99Å; E351-N355 PolarHBondContact O-ND2 3.08Å; E351-Q400 HydrophobicContact CB-CB 4.08Å; E351-Q400 HydrophobicContact CB-CG 3.85Å; E351-Q400 VanDerWaalsContact CB-OE1 3.26Å; E351-Q400 HydrophobicContact CG-CB 4.44Å; E351-Q400 HydrophobicContact CG-CG 3.82Å; E351-Q400 WeakPolarHBondContact OE2-CB 3.47Å; E351-K404 WeakPolarHBondContact O-CE 3.1Å; E351-K404 PolarHBondContact O-NZ 3.38Å; E351-K404 VanDerWaalsContact O-NZ 3.16Å; E351-K404 IonicContact OE2-NZ 3.09Å
352	I	83.7	Confident	88.3	Confident	3 Å²	3	23.7 Å²	23.7	2%	0.015	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-57.3	167.2	-62.8	-178	0	0	0	109.7	V92 L96 D350 H354 N355 V356 E372 R403	V92-I352 HydrophobicContact CG1-CG2 3.53Å; L96-I352 HydrophobicContact CD1-CG2 4.38Å; D350-I352 PolarHBondContact O-N 3.36Å; D350-I352 WeakPolarHBondContact OD2-CA 3.42Å; D350-I352 VanDerWaalsContact OD2-CB 3.27Å; D350-I352 WeakPolarHBondContact OD2-CB 3.37Å; D350-I352 PolarHBondContact OD2-N 3.25Å; I352-H354 VanDerWaalsContact C-N 3.28Å; I352-H354 PolarHBondContact O-N 3.04Å; I352-N355 WeakPolarHBondContact O-CA 3.46Å; I352-N355 WeakPolarHBondContact O-CB 3.41Å; I352-N355 PolarHBondContact O-N 3.42Å; I352-V356 HydrophobicContact CG2-CG2 4.03Å; I352-V356 PolarHBondContact O-N 3.46Å; I352-E372 HydrophobicContact CD1-CG 4.48Å; I352-R403 HydrophobicContact CD1-CB 3.29Å; I352-R403 VanDerWaalsContact CD1-CD 3.47Å; I352-R403 HydrophobicContact CD1-CG 3.92Å; I352-R403 HydrophobicContact CG1-CB 4.11Å
353	F	88.9	Confident	88.1	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.009	13%	0.131	C	C	.	.	H	α-helix	trans	-59.2	-42	-171.3	-170.8	-89.6	0	0	0	111.6	M344 I347 M348 D350 N355 V356 A357 L366 I370	M344-F353 HydrophobicContact CE-CE1 4.49Å; I347-F353 HydrophobicContact CG2-CB 3.74Å; I347-F353 HydrophobicContact CG2-CD1 3.32Å; I347-F353 HydrophobicContact CG2-CD2 3.53Å; I347-F353 HydrophobicContact CG2-CE1 3.71Å; I347-F353 HydrophobicContact CG2-CE2 3.93Å; I347-F353 HydrophobicContact CG2-CG 3.19Å; I347-F353 HydrophobicContact CG2-CZ 4Å; M348-F353 HydrophobicContact SD-CD1 3.83Å; M348-F353 HydrophobicContact SD-CE1 3.61Å; D350-F353 PolarHBondContact O-N 3.15Å; D350-F353 PolarHBondContact OD2-N 3.1Å; F353-N355 VanDerWaalsContact C-N 3.29Å; F353-N355 PolarHBondContact O-N 2.92Å; F353-V356 CarbonylContact O-C 3.57Å; F353-V356 PolarHBondContact O-N 3.19Å; F353-V356 VanDerWaalsContact O-N 3.15Å; F353-A357 HydrophobicContact CD1-CB 4.49Å; F353-A357 HydrophobicContact CE1-CB 4.28Å; F353-A357 WeakPolarHBondContact O-CB 3.06Å; F353-A357 PolarHBondContact O-N 3.04Å; F353-L366 WeakPolarHBondContact CE2-O 3.48Å; F353-L366 HydrophobicContact CZ-CD2 4.33Å; F353-I370 HydrophobicContact CD2-CG1 4.41Å; F353-I370 HydrophobicContact CE2-CG1 3.63Å; F353-I370 HydrophobicContact CZ-CG1 4.24Å
354	H	87.4	Confident	88	Confident	23 Å²	23	30.3 Å²	30.3	11%	0.106	15%	0.146	C	C	.	.	H	α-helix	trans	-60.6	-38.3	177.3	86.5	138.7	0	0	0	112.1	H107 L109 D350 E351 I352 A357 Y358	H107-H354 PolarHBondContact O-ND1 3.22Å; L109-H354 HydrophobicContact CD1-CB 3.85Å; D350-H354 PolarHBondContact O-CD2 3.36Å; D350-H354 VanDerWaalsContact O-CD2 3.25Å; D350-H354 PolarHBondContact O-N 3.27Å; D350-H354 VanDerWaalsContact O-N 3.1Å; E351-H354 VanDerWaalsContact C-CD2 3.41Å; E351-H354 WeakPolarHBondContact CA-CD2 3.42Å; E351-H354 WeakPolarHBondContact CA-NE2 3.43Å; E351-H354 PolarHBondContact O-CD2 3.39Å; E351-H354 PolarHBondContact O-NE2 2.99Å; I352-H354 VanDerWaalsContact C-N 3.28Å; I352-H354 PolarHBondContact O-N 3.04Å; H354-A357 PolarHBondContact O-N 2.91Å; H354-Y358 WeakPolarHBondContact O-CD2 3.35Å; H354-Y358 PolarHBondContact O-N 3.3Å
355	N	86.8	Confident	87.7	Confident	15 Å²	15	30.9 Å²	30.9	8%	0.08	15%	0.149	C	C	.	.	H	α-helix	trans	-70	-37	177.4	-80.7	-70.3	0	0	0	111.9	L96 S106 E351 I352 F353 A357 K359 K404	L96-N355 HydrophobicContact CD2-CB 3.42Å; L96-N355 VanDerWaalsContact CD2-CB 3.42Å; S106-N355 WeakPolarHBondContact CB-OD1 3.29Å; S106-N355 PolarHBondContact OG-OD1 2.81Å; E351-N355 PolarHBondContact O-ND2 3.08Å; I352-N355 WeakPolarHBondContact O-CA 3.46Å; I352-N355 WeakPolarHBondContact O-CB 3.41Å; I352-N355 PolarHBondContact O-N 3.42Å; F353-N355 VanDerWaalsContact C-N 3.29Å; F353-N355 PolarHBondContact O-N 2.92Å; N355-A357 VanDerWaalsContact C-N 3.34Å; N355-K359 WeakPolarHBondContact O-CB 3.35Å; N355-K359 PolarHBondContact O-N 3.48Å; N355-K359 VanDerWaalsContact O-N 3.08Å; N355-K404 PolarHBondContact ND2-NZ 3.06Å
356	V	88.8	Confident	87.7	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64	-41.5	171.4	175.8	0	0	0	0	109.8	V92 L96 I352 F353 Y358 K359 A360 D365	V92-V356 HydrophobicContact CG1-CG2 3.82Å; V92-V356 HydrophobicContact CG2-CG2 4.3Å; L96-V356 HydrophobicContact CD2-CG2 4.44Å; I352-V356 HydrophobicContact CG2-CG2 4.03Å; I352-V356 PolarHBondContact O-N 3.46Å; F353-V356 CarbonylContact O-C 3.57Å; F353-V356 PolarHBondContact O-N 3.19Å; F353-V356 VanDerWaalsContact O-N 3.15Å; V356-Y358 PolarHBondContact O-N 3.18Å; V356-K359 CarbonylContact O-C 3.59Å; V356-K359 PolarHBondContact O-N 2.9Å; V356-K359 VanDerWaalsContact O-N 3.17Å; V356-A360 WeakPolarHBondContact O-CA 3.49Å; V356-A360 VanDerWaalsContact O-CB 3.24Å; V356-A360 WeakPolarHBondContact O-CB 3.38Å; V356-A360 PolarHBondContact O-N 2.93Å; V356-D365 WeakPolarHBondContact CG1-O 3.37Å
357	A	89.6	Confident	87.7	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.8	-37.1	177.7	0	0	0	0	0	113.3	R304 F323 M348 F353 H354 N355 L366	R304-A357 WeakPolarHBondContact CD-O 3.3Å; R304-A357 PolarHBondContact NH1-O 3.04Å; F323-A357 HydrophobicContact CE1-CB 3.83Å; F323-A357 HydrophobicContact CZ-CB 4.01Å; M348-A357 HydrophobicContact SD-CB 4.46Å; F353-A357 HydrophobicContact CD1-CB 4.49Å; F353-A357 HydrophobicContact CE1-CB 4.28Å; F353-A357 WeakPolarHBondContact O-CB 3.06Å; F353-A357 PolarHBondContact O-N 3.04Å; H354-A357 PolarHBondContact O-N 2.91Å; N355-A357 VanDerWaalsContact C-N 3.34Å; A357-L366 HydrophobicContact CB-CD2 4.19Å
358	Y	89	Confident	87.6	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-65.1	-41.9	169.7	-76.7	-77	0	0	0	112.2	H104 S106 H107 L109 E283 R304 R322 F323 H354 V356	H104-Y358 PolarHBondContact CD2-O 3.18Å; S106-Y358 VanDerWaalsContact CB-CD2 3.5Å; H107-Y358 PolarHBondContact N-OH 3.19Å; L109-Y358 WeakPolarHBondContact CD2-OH 3.35Å; E283-Y358 PolarHBondContact OE2-OH 3.12Å; E283-Y358 VanDerWaalsContact OE2-OH 3.08Å; R304-Y358 PolarHBondContact NH1-O 3.03Å; R322-Y358 HydrophobicContact CG-CE1 3.9Å; F323-Y358 HydrophobicContact CE2-CD1 4.32Å; F323-Y358 HydrophobicContact CE2-CD2 4.4Å; F323-Y358 AromaticContact CE2-CE1 3.9Å; F323-Y358 HydrophobicContact CE2-CE1 3.9Å; F323-Y358 AromaticContact CE2-CE2 3.96Å; F323-Y358 HydrophobicContact CE2-CE2 3.96Å; F323-Y358 AromaticContact CE2-CZ 3.68Å; F323-Y358 AromaticContact CZ-CD1 3.97Å; F323-Y358 HydrophobicContact CZ-CD1 3.97Å; F323-Y358 HydrophobicContact CZ-CD2 4.22Å; F323-Y358 HydrophobicContact CZ-CE1 4.02Å; F323-Y358 HydrophobicContact CZ-CE2 4.24Å; F323-Y358 HydrophobicContact CZ-CG 4.05Å; H354-Y358 WeakPolarHBondContact O-CD2 3.35Å; H354-Y358 PolarHBondContact O-N 3.3Å; V356-Y358 PolarHBondContact O-N 3.18Å
359	K	87	Confident	87.5	Confident	42 Å²	42	32.3 Å²	32.3	18%	0.183	16%	0.158	C	C	.	.	H	α-helix	trans	-90.6	-11.3	-174.3	-69.1	-165.8	172.1	-160.7	0	116.1	I95 L96 T98 N355 V356	I95-K359 HydrophobicContact CG2-CB 3.68Å; I95-K359 HydrophobicContact CG2-CD 4.48Å; I95-K359 VanDerWaalsContact O-CD 3.3Å; I95-K359 WeakPolarHBondContact O-CD 3.33Å; L96-K359 PolarHBondContact O-NZ 2.87Å; T98-K359 PolarHBondContact O-NZ 2.91Å; N355-K359 WeakPolarHBondContact O-CB 3.35Å; N355-K359 PolarHBondContact O-N 3.48Å; N355-K359 VanDerWaalsContact O-N 3.08Å; V356-K359 CarbonylContact O-C 3.59Å; V356-K359 PolarHBondContact O-N 2.9Å; V356-K359 VanDerWaalsContact O-N 3.17Å
360	A	88.3	Confident	87.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.			trans	-59.3	138.8	-174.8	0	0	0	0	0	111.4	L173 R304 V356 D365 L366	L173-A360 HydrophobicContact CD1-CB 4.42Å; R304-A360 PolarHBondContact NH1-O 3.18Å; R304-A360 PolarHBondContact NH2-O 2.81Å; V356-A360 WeakPolarHBondContact O-CA 3.49Å; V356-A360 VanDerWaalsContact O-CB 3.24Å; V356-A360 WeakPolarHBondContact O-CB 3.38Å; V356-A360 PolarHBondContact O-N 2.93Å; A360-D365 HydrophobicContact CB-CB 3.88Å; A360-L366 HydrophobicContact CB-CD2 3.81Å; A360-L366 HydrophobicContact CB-CG 4.03Å
361	K	85.8	Confident	88	Confident	154 Å²	154	31.1 Å²	31.1	67%	0.67	15%	0.15	S	C	*	.			trans	-110.8	-31.5	174.4	-62.4	-172.6	179.6	-173.5	0	111.7	L173 D365	L173-K361 WeakPolarHBondContact CD1-O 3.48Å; K361-D365 PolarHBondContact N-OD2 2.72Å
362	D	87.3	Confident	88.2	Confident	100 Å²	100	28.3 Å²	28.3	54%	0.535	14%	0.137	S	C	.	.	S	Bend	trans	-127.4	159.2	179.1	-68.7	-62.1	0	0	0	111.9	S364 D365	D362-S364 PolarHBondContact O-N 3.5Å; D362-D365 PolarHBondContact N-OD2 2.78Å; D362-D365 WeakPolarHBondContact O-CB 3.43Å; D362-D365 PolarHBondContact O-N 3.37Å
363	R	89.3	Confident	88.3	Confident	115 Å²	115	28.7 Å²	28.7	43%	0.434	14%	0.139	S	C	.	.	H	α-helix	trans	-52.5	-28.7	172.6	70.9	174.8	73.8	-163.8	-0	113.4	I167 V171 D365 L366 L367	I167-R363 PolarHBondContact O-NH1 3.46Å; V171-R363 HydrophobicContact CB-CB 4.28Å; V171-R363 HydrophobicContact CG1-CB 4.28Å; V171-R363 HydrophobicContact CG2-CB 4.08Å; R363-D365 VanDerWaalsContact C-N 3.31Å; R363-D365 PolarHBondContact O-N 2.81Å; R363-L366 PolarHBondContact O-N 3.27Å; R363-L367 WeakPolarHBondContact O-CG 3.29Å; R363-L367 PolarHBondContact O-N 3.44Å; R363-L367 VanDerWaalsContact O-N 3.16Å
364	S	88.6	Confident	88.2	Confident	45 Å²	45	30.3 Å²	30.3	32%	0.315	15%	0.147	S	C	.	.	H	α-helix	trans	-72.9	-19.3	-179.6	59.8	0	0	0	0	114.1	R91 D362 A368	R91-S364 PolarHBondContact NH2-OG 3.04Å; D362-S364 PolarHBondContact O-N 3.5Å; S364-A368 PolarHBondContact O-N 3.18Å; S364-A368 VanDerWaalsContact O-N 3.14Å
365	D	89.1	Confident	87.9	Confident	15 Å²	15	34.3 Å²	34.3	8%	0.08	17%	0.169	C	C	.	.	H	α-helix	trans	-76.3	-41.4	172.7	-62.4	-29.2	0	0	0	111.2	R91 I95 V356 A360 K361 D362 R363 L367 A368 G369	R91-D365 IonicContact CZ-OD1 2.78Å; R91-D365 IonicContact NE-OD1 3.17Å; R91-D365 PolarHBondContact NE-OD1 2.82Å; R91-D365 IonicContact NH2-OD1 3.38Å; R91-D365 PolarHBondContact NH2-OD1 3.04Å; I95-D365 HydrophobicContact CD1-CB 3.78Å; V356-D365 WeakPolarHBondContact CG1-O 3.37Å; A360-D365 HydrophobicContact CB-CB 3.88Å; K361-D365 PolarHBondContact N-OD2 2.72Å; D362-D365 PolarHBondContact N-OD2 2.78Å; D362-D365 WeakPolarHBondContact O-CB 3.43Å; D362-D365 PolarHBondContact O-N 3.37Å; R363-D365 VanDerWaalsContact C-N 3.31Å; R363-D365 PolarHBondContact O-N 2.81Å; D365-L367 VanDerWaalsContact C-N 3.34Å; D365-A368 PolarHBondContact O-N 3.27Å; D365-G369 PolarHBondContact O-N 3.04Å
366	L	89.7	Confident	87.3	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-61.6	-42.9	173.5	-63	174.7	0	0	0	111	I166 V171 F302 F353 A357 A360 R363 G369 I370	I166-L366 HydrophobicContact CG2-CB 4.39Å; V171-L366 HydrophobicContact CG1-CD1 3.9Å; F302-L366 HydrophobicContact CD1-CD1 3.59Å; F302-L366 HydrophobicContact CE1-CD1 3.57Å; F302-L366 HydrophobicContact CE1-CD2 4.15Å; F302-L366 HydrophobicContact CZ-CD1 4.48Å; F302-L366 HydrophobicContact CZ-CD2 4.49Å; F353-L366 WeakPolarHBondContact CE2-O 3.48Å; F353-L366 HydrophobicContact CZ-CD2 4.33Å; A357-L366 HydrophobicContact CB-CD2 4.19Å; A360-L366 HydrophobicContact CB-CD2 3.81Å; A360-L366 HydrophobicContact CB-CG 4.03Å; R363-L366 PolarHBondContact O-N 3.27Å; L366-G369 WeakPolarHBondContact O-CA 3.49Å; L366-G369 PolarHBondContact O-N 3.19Å; L366-G369 VanDerWaalsContact O-N 3.11Å; L366-I370 PolarHBondContact O-N 2.92Å
367	L	91.1	Very high	86.8	Confident	24 Å²	24	37.3 Å²	37.3	13%	0.126	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-39.9	176.5	-67.2	170.1	0	0	0	112.4	R163 I166 I167 R363 D365 G369 I370 D371	R163-L367 HydrophobicContact CG-CD2 3.98Å; I166-L367 HydrophobicContact CB-CD2 4.09Å; I166-L367 HydrophobicContact CG2-CD2 3.92Å; I166-L367 HydrophobicContact CG2-CG 4.19Å; I167-L367 HydrophobicContact CD1-CD2 4.37Å; I167-L367 HydrophobicContact CG1-CD1 3.61Å; I167-L367 HydrophobicContact CG1-CD2 3.73Å; I167-L367 HydrophobicContact CG1-CG 4.34Å; R363-L367 WeakPolarHBondContact O-CG 3.29Å; R363-L367 PolarHBondContact O-N 3.44Å; R363-L367 VanDerWaalsContact O-N 3.16Å; D365-L367 VanDerWaalsContact C-N 3.34Å; L367-G369 VanDerWaalsContact C-N 3.26Å; L367-G369 PolarHBondContact O-N 2.94Å; L367-I370 PolarHBondContact O-N 3.3Å; L367-D371 PolarHBondContact O-N 3.41Å
368	A	87.9	Confident	86	Confident	8 Å²	8	40.2 Å²	40.2	7%	0.066	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-33.9	172.1	0	0	0	0	0	112.3	R91 V92 S364 D365 E372	R91-A368 HydrophobicContact CG-CB 4.27Å; V92-A368 HydrophobicContact CG2-CB 4.21Å; V92-A368 WeakPolarHBondContact CG2-O 3.39Å; S364-A368 PolarHBondContact O-N 3.18Å; S364-A368 VanDerWaalsContact O-N 3.14Å; D365-A368 PolarHBondContact O-N 3.27Å; A368-E372 WeakPolarHBondContact O-CB 3.47Å; A368-E372 PolarHBondContact O-N 3.16Å
369	G	88.4	Confident	85.3	Confident	1 Å²	1	44 Å²	44	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-64.7	-41.1	171	0	0	0	0	0	113.7	D365 L366 L367 F373	D365-G369 PolarHBondContact O-N 3.04Å; L366-G369 WeakPolarHBondContact O-CA 3.49Å; L366-G369 PolarHBondContact O-N 3.19Å; L366-G369 VanDerWaalsContact O-N 3.11Å; L367-G369 VanDerWaalsContact C-N 3.26Å; L367-G369 PolarHBondContact O-N 2.94Å; G369-F373 WeakPolarHBondContact O-CB 3.26Å; G369-F373 PolarHBondContact O-N 2.88Å
370	I	90.8	Very high	84.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.8	-43.2	174.4	-66.6	-170.5	0	0	0	110.8	L162 R163 I166 F353 L366 L367 F373 L374	L162-I370 HydrophobicContact CD2-CD1 4.4Å; L162-I370 HydrophobicContact CG-CD1 4.26Å; R163-I370 HydrophobicContact CB-CG2 4.3Å; R163-I370 HydrophobicContact CG-CG2 4.38Å; I166-I370 HydrophobicContact CD1-CD1 3.73Å; F353-I370 HydrophobicContact CD2-CG1 4.41Å; F353-I370 HydrophobicContact CE2-CG1 3.63Å; F353-I370 HydrophobicContact CZ-CG1 4.24Å; L366-I370 PolarHBondContact O-N 2.92Å; L367-I370 PolarHBondContact O-N 3.3Å; I370-F373 WeakPolarHBondContact O-CB 3.49Å; I370-F373 PolarHBondContact O-N 3.29Å; I370-L374 HydrophobicContact CG2-CD1 3.98Å; I370-L374 HydrophobicContact CG2-CG 4.33Å; I370-L374 WeakPolarHBondContact O-CB 3.47Å; I370-L374 WeakPolarHBondContact O-CG 3.22Å; I370-L374 PolarHBondContact O-N 2.99Å
371	D	88.9	Confident	83.8	Confident	36 Å²	36	46.8 Å²	46.8	19%	0.193	25%	0.245	C	C	.	.	H	α-helix	trans	-66.2	-40.8	-178.8	-69.6	-16.6	0	0	0	111.1	P88 R163 L367 F373 L374 D375	P88-D371 HydrophobicContact CB-CB 3.97Å; P88-D371 HydrophobicContact CG-CB 4.03Å; R163-D371 IonicContact CZ-OD1 3.78Å; R163-D371 IonicContact CZ-OD2 3.86Å; R163-D371 IonicContact NE-OD1 3.3Å; R163-D371 PolarHBondContact NE-OD1 2.94Å; R163-D371 IonicContact NE-OD2 2.75Å; R163-D371 IonicContact NH2-OD1 3.93Å; R163-D371 PolarHBondContact NH2-OD1 3.45Å; R163-D371 IonicContact NH2-OD2 2.8Å; R163-D371 PolarHBondContact NH2-OD2 3.35Å; L367-D371 PolarHBondContact O-N 3.41Å; D371-F373 PolarHBondContact O-N 3.07Å; D371-L374 PolarHBondContact O-N 3.25Å; D371-D375 PolarHBondContact O-N 2.93Å; D371-D375 VanDerWaalsContact O-N 3.08Å
372	E	85.6	Confident	82.7	Confident	9 Å²	9	43.4 Å²	43.4	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-31.8	171	171.8	64.1	-164.1	0	0	113.1	S89 V92 I352 A368	S89-E372 WeakPolarHBondContact CA-OE2 3.27Å; S89-E372 WeakPolarHBondContact CB-OE2 3.45Å; S89-E372 PolarHBondContact OG-OE2 3.34Å; V92-E372 HydrophobicContact CG1-CG 4.37Å; V92-E372 HydrophobicContact CG2-CB 4.01Å; V92-E372 HydrophobicContact CG2-CG 4.43Å; I352-E372 HydrophobicContact CD1-CG 4.48Å; A368-E372 WeakPolarHBondContact O-CB 3.47Å; A368-E372 PolarHBondContact O-N 3.16Å
373	F	86.9	Confident	81.4	Confident	11 Å²	11	42.6 Å²	42.6	5%	0.048	25%	0.254	C	S	.	.	H	α-helix	trans	-65.6	-49.4	171.6	177.3	-91.7	0	0	0	110.5	V51 L159 I347 D350 G369 I370 D371 D375 Q376 V377	V51-F373 HydrophobicContact CG1-CE2 4.39Å; V51-F373 HydrophobicContact CG2-CZ 4.13Å; L159-F373 HydrophobicContact CD1-CE1 4.45Å; L159-F373 HydrophobicContact CD2-CD1 4.41Å; L159-F373 HydrophobicContact CD2-CE1 3.96Å; I347-F373 HydrophobicContact CD1-CD1 4.07Å; I347-F373 HydrophobicContact CD1-CE1 4.11Å; I347-F373 HydrophobicContact CG1-CD1 3.76Å; I347-F373 HydrophobicContact CG1-CD2 4.21Å; I347-F373 HydrophobicContact CG1-CE1 3.59Å; I347-F373 HydrophobicContact CG1-CE2 4.05Å; I347-F373 HydrophobicContact CG1-CG 4.07Å; I347-F373 HydrophobicContact CG1-CZ 3.74Å; D350-F373 HydrophobicContact CB-CD2 4.27Å; D350-F373 HydrophobicContact CB-CE2 4.3Å; G369-F373 WeakPolarHBondContact O-CB 3.26Å; G369-F373 PolarHBondContact O-N 2.88Å; I370-F373 WeakPolarHBondContact O-CB 3.49Å; I370-F373 PolarHBondContact O-N 3.29Å; D371-F373 PolarHBondContact O-N 3.07Å; F373-D375 VanDerWaalsContact C-N 3.33Å; F373-D375 PolarHBondContact O-N 3.39Å; F373-Q376 PolarHBondContact O-N 2.91Å; F373-V377 HydrophobicContact CD1-CG2 3.71Å; F373-V377 HydrophobicContact CE1-CG2 3.58Å; F373-V377 HydrophobicContact CG-CG2 4.43Å; F373-V377 HydrophobicContact CZ-CG2 4.21Å; F373-V377 WeakPolarHBondContact O-CG2 3.27Å; F373-V377 PolarHBondContact O-N 3.49Å
374	L	86	Confident	80.1	Confident	35 Å²	35	45.2 Å²	45.2	18%	0.183	27%	0.271	C	S	.	.	H	α-helix	trans	-54.9	-43.6	179.3	-79.3	170.9	0	0	0	112.7	L159 F160 I370 D371 Q376 V377	L159-L374 HydrophobicContact CB-CD2 4.02Å; L159-L374 HydrophobicContact CD1-CD2 4.05Å; F160-L374 HydrophobicContact CD1-CD1 4.25Å; F160-L374 HydrophobicContact CE1-CD1 3.98Å; I370-L374 HydrophobicContact CG2-CD1 3.98Å; I370-L374 HydrophobicContact CG2-CG 4.33Å; I370-L374 WeakPolarHBondContact O-CB 3.47Å; I370-L374 WeakPolarHBondContact O-CG 3.22Å; I370-L374 PolarHBondContact O-N 2.99Å; D371-L374 PolarHBondContact O-N 3.25Å; L374-Q376 PolarHBondContact O-N 3.16Å; L374-Q376 VanDerWaalsContact O-N 3.11Å; L374-V377 PolarHBondContact O-N 3.18Å
375	D	82	Confident	78.8	Confident	108 Å²	108	47.9 Å²	47.9	58%	0.578	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.4	177.6	-82.3	-14.4	0	0	0	114	D371 F373	D371-D375 PolarHBondContact O-N 2.93Å; D371-D375 VanDerWaalsContact O-N 3.08Å; F373-D375 VanDerWaalsContact C-N 3.33Å; F373-D375 PolarHBondContact O-N 3.39Å
376	Q	73.9	Confident	77.6	Confident	58 Å²	58	51 Å²	51	27%	0.271	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-15.6	-178.4	-60.9	-56.1	-38.4	0	0	114.7	R52 F373 L374	R52-Q376 WeakPolarHBondContact CB-O 3.33Å; R52-Q376 WeakPolarHBondContact CD-O 3.27Å; F373-Q376 PolarHBondContact O-N 2.91Å; L374-Q376 PolarHBondContact O-N 3.16Å; L374-Q376 VanDerWaalsContact O-N 3.11Å
377	V	77.4	Confident	76.4	Confident	20 Å²	20	54.3 Å²	54.3	12%	0.121	31%	0.313	C	S	.	.			trans	-73.6	144.1	-174.1	-149.7	0	0	0	0	111.1	V49 G50 F373 L374	V49-V377 HydrophobicContact CB-CB 4.24Å; V49-V377 HydrophobicContact CB-CG1 3.58Å; V49-V377 HydrophobicContact CG1-CB 3.59Å; V49-V377 HydrophobicContact CG1-CG1 3.44Å; V49-V377 VanDerWaalsContact CG1-CG1 3.44Å; G50-V377 VanDerWaalsContact O-CG1 3.29Å; G50-V377 WeakPolarHBondContact O-CG1 3.44Å; F373-V377 HydrophobicContact CD1-CG2 3.71Å; F373-V377 HydrophobicContact CE1-CG2 3.58Å; F373-V377 HydrophobicContact CG-CG2 4.43Å; F373-V377 HydrophobicContact CZ-CG2 4.21Å; F373-V377 WeakPolarHBondContact O-CG2 3.27Å; F373-V377 PolarHBondContact O-N 3.49Å; L374-V377 PolarHBondContact O-N 3.18Å
378	T	72.4	Confident	75.1	Confident	60 Å²	60	57.3 Å²	57.3	37%	0.368	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115.5	-179.6	34.8	0	0	0	0	111.9	V49 G50 R52	V49-T378 CarbonylContact C-O 3.6Å; V49-T378 WeakPolarHBondContact CA-O 3.4Å; G50-T378 PolarHBondContact N-O 3.05Å; G50-T378 PolarHBondContact O-N 3.01Å; G50-T378 PolarHBondContact O-OG1 3.43Å; R52-T378 HydrophobicContact CB-CG2 4.14Å; R52-T378 HydrophobicContact CG-CG2 3.97Å
379	V	74.8	Confident	74.2	Confident	82 Å²	82	61.3 Å²	61.3	50%	0.497	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	129.8	174.7	-174.7	0	0	0	0	110.1	L47 F48 V49 L156	L47-V379 HydrophobicContact CB-CG1 4.48Å; L47-V379 HydrophobicContact CD2-CG1 4.16Å; F48-V379 WeakPolarHBondContact O-CA 3.46Å; V49-V379 HydrophobicContact CG1-CB 4.5Å; V49-V379 HydrophobicContact CG1-CG2 3.96Å; L156-V379 HydrophobicContact CD1-CG2 4.21Å
380	L	73.4	Confident	73.4	Confident	33 Å²	33	66.5 Å²	66.5	17%	0.173	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	138.6	169.4	-63.5	174.2	0	0	0	109.1	F48 T153 W385	F48-L380 HydrophobicContact CB-CB 4.45Å; F48-L380 PolarHBondContact O-N 3.46Å; T153-L380 HydrophobicContact CG2-CD1 4.27Å; L380-W385 HydrophobicContact CD1-CD2 4.48Å; L380-W385 HydrophobicContact CD1-CG 4.36Å
381	P	69.8	Low	72.7	Confident	67 Å²	67	69 Å²	69	44%	0.435	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-65.5	130.4	-178.9	26.3	-33.5	0	0	0	111.1	G383 E384	P381-G383 PolarHBondContact O-N 2.99Å; P381-E384 HydrophobicContact CG-CB 4.31Å
382	P	64.1	Low	71.7	Confident	84 Å²	84	74.7 Å²	74.7	55%	0.545	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	133	178	29.5	-33.9	0	0	0	110.4	L47	L47-P382 HydrophobicContact CD2-CB 4.49Å; L47-P382 HydrophobicContact CD2-CG 3.86Å
383	G	59.7	Low	70.9	Confident	82 Å²	82	75.5 Å²	75.5	85%	0.845	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	-18.3	175.3	0	0	0	0	0	116.3	P381	P381-G383 PolarHBondContact O-N 2.99Å
384	E	60.8	Low	69.7	Low	171 Å²	171	77.4 Å²	77.4	80%	0.799	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-13	172.2	-66.4	-171.7	161.4	0	0	113.3	P381	P381-E384 HydrophobicContact CG-CB 4.31Å
385	W	62.8	Low	68	Low	101 Å²	101	83.2 Å²	83.2	38%	0.383	46%	0.456	S	S	.	.	S	Bend	trans	-121.4	131.4	-176.5	-164.9	-84.2	0	0	0	111	L380 I389 I391	L380-W385 HydrophobicContact CD1-CD2 4.48Å; L380-W385 HydrophobicContact CD1-CG 4.36Å; W385-I389 HydrophobicContact CZ2-CB 4.46Å; W385-I389 HydrophobicContact CZ2-CG2 4.1Å; W385-I391 HydrophobicContact CH2-CD1 4.4Å; W385-I391 HydrophobicContact CH2-CG1 4.25Å; W385-I391 HydrophobicContact CZ2-CD1 3.81Å; W385-I391 HydrophobicContact CZ2-CG1 3.61Å
386	D	63.7	Low	66.4	Low	80 Å²	80	81 Å²	81	43%	0.428	45%	0.449	S	S	.	.			trans	-87.7	120	174.8	175.6	-15.1	0	0	0	109.3	S388 I389	D386-S388 PolarHBondContact O-N 3.23Å; D386-S388 VanDerWaalsContact O-N 3.11Å; D386-S388 WeakPolarHBondContact OD1-CB 3.48Å; D386-S388 PolarHBondContact OD1-N 3.41Å; D386-S388 PolarHBondContact OD1-OG 3.27Å; D386-S388 PolarHBondContact OD2-OG 2.95Å; D386-I389 HydrophobicContact CB-CD1 3.78Å; D386-I389 HydrophobicContact CB-CG1 3.89Å; D386-I389 WeakPolarHBondContact O-CB 3.18Å; D386-I389 PolarHBondContact O-N 3.39Å
387	P	63.3	Low	65.5	Low	71 Å²	71	79.5 Å²	79.5	46%	0.461	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.1	-179.1	-25.4	35.6	0	0	0	114.8	F48 I389	F48-P387 HydrophobicContact CD2-CG 4.42Å; F48-P387 HydrophobicContact CE1-CB 4.17Å; F48-P387 HydrophobicContact CE1-CG 4.16Å; F48-P387 HydrophobicContact CE2-CG 3.72Å; F48-P387 HydrophobicContact CZ-CB 4.05Å; F48-P387 HydrophobicContact CZ-CG 3.56Å; P387-I389 VanDerWaalsContact C-N 3.29Å; P387-I389 PolarHBondContact O-N 3Å
388	S	64.1	Low	64.2	Low	87 Å²	87	79.4 Å²	79.4	61%	0.608	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-11.9	177	73	0	0	0	0	113.8	D386 R390	D386-S388 PolarHBondContact O-N 3.23Å; D386-S388 VanDerWaalsContact O-N 3.11Å; D386-S388 WeakPolarHBondContact OD1-CB 3.48Å; D386-S388 PolarHBondContact OD1-N 3.41Å; D386-S388 PolarHBondContact OD1-OG 3.27Å; D386-S388 PolarHBondContact OD2-OG 2.95Å; S388-R390 PolarHBondContact O-N 2.82Å
389	I	68.5	Low	63.1	Low	91 Å²	91	78.6 Å²	78.6	47%	0.467	44%	0.441	S	S	.	.			trans	-78.4	94.5	-179.8	-61.7	179.2	0	0	0	110.3	W385 D386 P387 I391	W385-I389 HydrophobicContact CZ2-CB 4.46Å; W385-I389 HydrophobicContact CZ2-CG2 4.1Å; D386-I389 HydrophobicContact CB-CD1 3.78Å; D386-I389 HydrophobicContact CB-CG1 3.89Å; D386-I389 WeakPolarHBondContact O-CB 3.18Å; D386-I389 PolarHBondContact O-N 3.39Å; P387-I389 VanDerWaalsContact C-N 3.29Å; P387-I389 PolarHBondContact O-N 3Å; I389-I391 PolarHBondContact O-N 2.99Å
390	R	73	Confident	62	Low	111 Å²	111	75.2 Å²	75.2	42%	0.419	42%	0.419	S	S	.	.			trans	-60.2	115.9	172.5	-68.5	173.7	171.8	161.8	-3.8	111.6	E140 Y150 S388 E392	E140-R390 IonicContact OE1-NH1 3.64Å; E140-R390 PolarHBondContact OE1-NH1 2.93Å; Y150-R390 HydrophobicContact CD1-CB 3.98Å; Y150-R390 VanDerWaalsContact CD1-CD 3.49Å; Y150-R390 HydrophobicContact CD1-CG 3.6Å; Y150-R390 HydrophobicContact CD2-CB 4.37Å; Y150-R390 HydrophobicContact CD2-CG 4.18Å; Y150-R390 HydrophobicContact CE1-CG 3.83Å; Y150-R390 VanDerWaalsContact CE1-NE 3.31Å; Y150-R390 HydrophobicContact CE2-CG 4.37Å; Y150-R390 HydrophobicContact CG-CB 3.83Å; Y150-R390 HydrophobicContact CG-CG 3.82Å; S388-R390 PolarHBondContact O-N 2.82Å; R390-E392 PolarHBondContact O-N 2.69Å
391	I	75.2	Confident	61	Low	52 Å²	52	75.7 Å²	75.7	27%	0.267	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-76.4	119.3	178.6	-62.7	171.7	0	0	0	110	Y150 V151 T153 W385 I389	Y150-I391 WeakPolarHBondContact CA-O 3.4Å; Y150-I391 WeakPolarHBondContact CB-O 3.47Å; V151-I391 HydrophobicContact CB-CB 4.19Å; V151-I391 HydrophobicContact CB-CG2 4.21Å; V151-I391 HydrophobicContact CG2-CG2 4.13Å; V151-I391 PolarHBondContact N-O 3.23Å; T153-I391 HydrophobicContact CG2-CD1 3.97Å; W385-I391 HydrophobicContact CH2-CD1 4.4Å; W385-I391 HydrophobicContact CH2-CG1 4.25Å; W385-I391 HydrophobicContact CZ2-CD1 3.81Å; W385-I391 HydrophobicContact CZ2-CG1 3.61Å; I389-I391 PolarHBondContact O-N 2.99Å
392	E	69	Low	60.3	Low	156 Å²	156	77.8 Å²	77.8	73%	0.729	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-61.7	136.6	176.9	-70.5	-160.8	156.4	0	0	111.5	R390	R390-E392 PolarHBondContact O-N 2.69Å
393	P	68.4	Low	59.9	Low	25 Å²	25	75.3 Å²	75.3	16%	0.162	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-56.1	142.4	-179.8	-30.4	37.9	0	0	0	114.5	F135 P149	F135-P393 HydrophobicContact CD1-CB 4.14Å; F135-P393 HydrophobicContact CD1-CG 4.11Å; F135-P393 HydrophobicContact CD2-CB 4.07Å; F135-P393 HydrophobicContact CD2-CG 4.07Å; F135-P393 HydrophobicContact CE1-CB 3.88Å; F135-P393 HydrophobicContact CE1-CG 4.36Å; F135-P393 HydrophobicContact CE2-CB 3.8Å; F135-P393 HydrophobicContact CE2-CG 4.31Å; F135-P393 HydrophobicContact CG-CB 4.25Å; F135-P393 HydrophobicContact CG-CG 3.97Å; F135-P393 HydrophobicContact CZ-CB 3.71Å; F135-P393 HydrophobicContact CZ-CG 4.46Å; P149-P393 WeakPolarHBondContact O-CD 3.42Å; P149-P393 WeakPolarHBondContact O-CG 3.48Å
394	P	60.6	Low	59.7	Low	52 Å²	52	74.5 Å²	74.5	34%	0.338	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-66.3	146.7	176	28.2	-34.6	0	0	0	111.4	M53 S396	M53-P394 HydrophobicContact CG-CG 4.4Å; P394-S396 PolarHBondContact O-N 3.14Å
395	K	51.5	Low	59	Low	156 Å²	156	71.4 Å²	71.4	68%	0.678	36%	0.363	S	S	*	.	S	Bend	trans	-59.3	-13.6	-175.9	-64.3	180	-177.9	171	0	115.6
396	S	47.8	Very low	58.2	Low	63 Å²	63	71.2 Å²	71.2	44%	0.441	37%	0.374	S	S	.	.	S	Bend	trans	-156.9	123.9	173.3	58	0	0	0	0	110.5	P394 P398	P394-S396 PolarHBondContact O-N 3.14Å; S396-P398 WeakPolarHBondContact O-CD 3.5Å
397	V	54.5	Low	57.3	Low	25 Å²	25	70 Å²	70	15%	0.152	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-70.3	122.1	167.7	173.8	0	0	0	0	109.3	M53 F135 R855	M53-V397 HydrophobicContact CE-CG1 4.13Å; M53-V397 HydrophobicContact CE-CG2 4.16Å; M53-V397 HydrophobicContact SD-CG1 3.79Å; M53-V397 HydrophobicContact SD-CG2 4.44Å; F135-V397 HydrophobicContact CE2-CG2 4.32Å; F135-V397 HydrophobicContact CZ-CG2 3.72Å; V397-R855 PolarHBondContact O-NH2 2.61Å
398	P	50.6	Low	56	Low	18 Å²	18	73.2 Å²	73.2	12%	0.117	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-81.7	149.3	178.2	34.2	-35	0	0	0	112.2	M53 P54 S396	M53-P398 HydrophobicContact CB-CG 4Å; P54-P398 WeakPolarHBondContact O-CB 3.43Å; P54-P398 WeakPolarHBondContact O-CG 3.25Å; S396-P398 WeakPolarHBondContact O-CD 3.5Å
399	S	48.8	Very low	54.5	Low	44 Å²	44	73.7 Å²	73.7	31%	0.308	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-71.9	135.7	-173.9	47.1	0	0	0	0	113.8	S57 E401	S57-S399 PolarHBondContact O-OG 2.67Å; S399-E401 VanDerWaalsContact C-N 3.31Å; S399-E401 PolarHBondContact O-N 3.08Å
400	Q	52.9	Low	52.6	Low	11 Å²	11	76.4 Å²	76.4	5%	0.051	42%	0.415	C	S	.	.			trans	-83.3	-3.7	-179.5	-48.7	-159.2	1.7	0	0	114.2	D350 E351 K402 R403	D350-Q400 PolarHBondContact OD1-NE2 3.41Å; D350-Q400 PolarHBondContact OD1-OE1 2.76Å; D350-Q400 PolarHBondContact OD2-OE1 2.6Å; E351-Q400 HydrophobicContact CB-CB 4.08Å; E351-Q400 HydrophobicContact CB-CG 3.85Å; E351-Q400 VanDerWaalsContact CB-OE1 3.26Å; E351-Q400 HydrophobicContact CG-CB 4.44Å; E351-Q400 HydrophobicContact CG-CG 3.82Å; E351-Q400 WeakPolarHBondContact OE2-CB 3.47Å; Q400-K402 VanDerWaalsContact C-N 3.26Å; Q400-K402 PolarHBondContact O-N 2.97Å; Q400-R403 VanDerWaalsContact NE2-NH2 3.15Å; Q400-R403 WeakPolarHBondContact O-CB 3.15Å; Q400-R403 PolarHBondContact O-N 3.21Å
401	E	52.8	Low	50.8	Low	43 Å²	43	75.3 Å²	75.3	20%	0.201	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-48.9	-32.9	-170.8	-64.9	177.8	159.4	0	0	116.2	R59 S399 R403 K404	R59-E401 WeakPolarHBondContact CG-OE2 3.21Å; R59-E401 IonicContact CZ-OE1 2.65Å; R59-E401 IonicContact NE-OE1 3.38Å; R59-E401 PolarHBondContact NE-OE1 3.46Å; R59-E401 IonicContact NE-OE2 3.63Å; R59-E401 PolarHBondContact NE-OE2 2.95Å; R59-E401 IonicContact NH2-OE1 3.75Å; R59-E401 PolarHBondContact NH2-OE1 3.17Å; S399-E401 VanDerWaalsContact C-N 3.31Å; S399-E401 PolarHBondContact O-N 3.08Å; E401-R403 PolarHBondContact O-N 3.31Å; E401-K404 PolarHBondContact O-N 3.49Å; E401-K404 VanDerWaalsContact O-N 3.1Å
402	K	54.4	Low	48.4	Very low	110 Å²	110	78.5 Å²	78.5	48%	0.478	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-57.6	-34.8	175.1	-87.3	-149.6	174.6	-160.1	0	112.6	S57 Q400 K404 M405 D1002	S57-K402 WeakPolarHBondContact OG-CE 3.2Å; S57-K402 VanDerWaalsContact OG-CG 3.22Å; S57-K402 WeakPolarHBondContact OG-CG 3.24Å; Q400-K402 VanDerWaalsContact C-N 3.26Å; Q400-K402 PolarHBondContact O-N 2.97Å; K402-K404 VanDerWaalsContact C-N 3.26Å; K402-K404 PolarHBondContact O-N 3.22Å; K402-M405 PolarHBondContact O-N 3.33Å; K402-D1002 IonicContact NZ-OD2 2.62Å
403	R	55.9	Low	46.3	Very low	33 Å²	33	77.3 Å²	77.3	13%	0.125	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-77.1	-14.1	-177.7	-55.9	-170.9	-83.3	150.4	-12.3	112.2	D350 I352 Q400 E401	D350-R403 IonicContact OD1-NH1 3.61Å; D350-R403 IonicContact OD1-NH2 3.59Å; D350-R403 PolarHBondContact OD1-NH2 2.92Å; D350-R403 IonicContact OD2-NH1 3.88Å; I352-R403 HydrophobicContact CD1-CB 3.29Å; I352-R403 VanDerWaalsContact CD1-CD 3.47Å; I352-R403 HydrophobicContact CD1-CG 3.92Å; I352-R403 HydrophobicContact CG1-CB 4.11Å; Q400-R403 VanDerWaalsContact NE2-NH2 3.15Å; Q400-R403 WeakPolarHBondContact O-CB 3.15Å; Q400-R403 PolarHBondContact O-N 3.21Å; E401-R403 PolarHBondContact O-N 3.31Å
404	K	55.3	Low	44.2	Very low	65 Å²	65	83.5 Å²	83.5	28%	0.283	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-92.2	-2.7	175.7	-47.3	-167.8	-174.8	-172	0	113.6	L96 E351 N355 E401 K402	L96-K404 HydrophobicContact CD1-CB 4.28Å; L96-K404 HydrophobicContact CD1-CG 4.21Å; E351-K404 WeakPolarHBondContact O-CE 3.1Å; E351-K404 PolarHBondContact O-NZ 3.38Å; E351-K404 VanDerWaalsContact O-NZ 3.16Å; E351-K404 IonicContact OE2-NZ 3.09Å; N355-K404 PolarHBondContact ND2-NZ 3.06Å; E401-K404 PolarHBondContact O-N 3.49Å; E401-K404 VanDerWaalsContact O-N 3.1Å; K402-K404 VanDerWaalsContact C-N 3.26Å; K402-K404 PolarHBondContact O-N 3.22Å
405	M	46.8	Very low	42.6	Very low	106 Å²	106	89.2 Å²	89.2	52%	0.522	52%	0.517	S	S	.	.	S	Bend	trans	-101.4	137.7	178.8	-64.1	-175.6	-174.2	0	0	110.3	K402 G407	K402-M405 PolarHBondContact O-N 3.33Å; M405-G407 PolarHBondContact O-N 3.02Å
406	P	45.7	Very low	41.4	Very low	97 Å²	97	88 Å²	88	63%	0.63	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-66.4	126.2	176.7	26.9	-33.6	0	0	0	110.9	V408	P406-V408 PolarHBondContact O-N 3.11Å
407	G	44.5	Very low	40.2	Very low	53 Å²	53	93.3 Å²	93.3	55%	0.546	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-65.7	127.4	165.1	0	0	0	0	0	109.8	M405 P409	M405-G407 PolarHBondContact O-N 3.02Å; G407-P409 VanDerWaalsContact O-CD 3.26Å; G407-P409 WeakPolarHBondContact O-CD 3.11Å
408	V	34.7	Very low	38.7	Very low	140 Å²	140	100.4 Å²	100.4	85%	0.848	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-66.9	118.6	177.2	-179.4	0	0	0	0	109	P406	P406-V408 PolarHBondContact O-N 3.11Å
409	P	33.4	Very low	37.4	Very low	96 Å²	96	103.2 Å²	103.2	62%	0.623	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-78.4	150.2	174.9	32.3	-32.3	0	0	0	110.7	G407	G407-P409 VanDerWaalsContact O-CD 3.26Å; G407-P409 WeakPolarHBondContact O-CD 3.11Å
410	N	28.7	Very low	36.5	Very low	149 Å²	149	110.3 Å²	110.3	80%	0.797	62%	0.618	S	S	*	*	S	Bend	trans	78.2	123.3	178.6	-58.3	-22.9	0	0	0	117.1	T412	N410-T412 PolarHBondContact O-N 3.36Å
411	G	34.4	Very low	35.3	Very low	88 Å²	88	117.4 Å²	117.4	91%	0.907	65%	0.651	S	S	*	*			trans	-69.5	94	173.7	0	0	0	0	0	111.7
412	T	24.9	Very low	34.1	Very low	119 Å²	119	119.4 Å²	119.4	73%	0.73	68%	0.675	S	S	*	*			trans	-129.9	105.6	154.7	-42.5	0	0	0	0	107.6	N410 L414	N410-T412 PolarHBondContact O-N 3.36Å; T412-L414 PolarHBondContact O-N 3.47Å
413	T	26.5	Very low	32.9	Very low	130 Å²	130	120.7 Å²	120.7	80%	0.798	68%	0.683	S	S	*	*			trans	-64.7	86.2	171.5	30.3	0	0	0	0	109.2	Q415	T413-Q415 PolarHBondContact O-N 2.79Å
414	L	24.6	Very low	32	Very low	155 Å²	155	124.1 Å²	124.1	81%	0.812	70%	0.7	S	S	*	*			trans	-60.9	95.2	154.1	-84.7	169.7	0	0	0	106.7	T412 V416	T412-L414 PolarHBondContact O-N 3.47Å; L414-V416 PolarHBondContact O-N 3.5Å
415	Q	26.5	Very low	31.5	Very low	172 Å²	172	124 Å²	124	80%	0.804	70%	0.7	S	S	*	*			trans	-60.6	90.3	161.2	-67.8	-176.8	-0.6	0	0	106.8	T413 E417	T413-Q415 PolarHBondContact O-N 2.79Å; Q415-E417 VanDerWaalsContact C-N 3.3Å; Q415-E417 PolarHBondContact O-N 3Å
416	V	25	Very low	31.7	Very low	131 Å²	131	120.6 Å²	120.6	79%	0.794	69%	0.692	S	S	*	*			trans	-62.8	104.9	152.9	178.2	0	0	0	0	104	L414 E418	L414-V416 PolarHBondContact O-N 3.5Å; V416-E418 PolarHBondContact O-N 2.85Å; V416-E418 VanDerWaalsContact O-N 3.14Å
417	E	23	Very low	32	Very low	174 Å²	174	121 Å²	121	81%	0.813	70%	0.695	S	S	*	*			trans	-45.4	123.9	171	-71.9	-180	117.1	0	0	107.9	Q415 P419	Q415-E417 VanDerWaalsContact C-N 3.3Å; Q415-E417 PolarHBondContact O-N 3Å; E417-P419 WeakPolarHBondContact O-CD 3.19Å; E417-P419 VanDerWaalsContact O-N 3.08Å
418	E	23.1	Very low	32.5	Very low	174 Å²	174	121.2 Å²	121.2	81%	0.813	68%	0.682	S	S	*	*			trans	-56.4	117.9	168.7	-73.3	-172.4	117.9	0	0	107.5	V416 Q420	V416-E418 PolarHBondContact O-N 2.85Å; V416-E418 VanDerWaalsContact O-N 3.14Å; E418-Q420 PolarHBondContact O-N 3.3Å; E418-Q420 VanDerWaalsContact O-N 3.08Å
419	P	24.3	Very low	33.8	Very low	77 Å²	77	115.8 Å²	115.8	50%	0.5	65%	0.648	S	S	.	*			trans	-60.7	119.6	151.4	-8.5	27.3	0	0	0	103.8	E417 H421	E417-P419 WeakPolarHBondContact O-CD 3.19Å; E417-P419 VanDerWaalsContact O-N 3.08Å; P419-H421 WeakPolarHBondContact CG-NE2 3.43Å; P419-H421 WeakPolarHBondContact O-CA 3.2Å; P419-H421 WeakPolarHBondContact O-CB 3.48Å; P419-H421 PolarHBondContact O-CD2 3.43Å; P419-H421 VanDerWaalsContact O-CG 3.26Å; P419-H421 PolarHBondContact O-N 2.98Å
420	Q	29.6	Very low	35.3	Very low	193 Å²	193	117.4 Å²	117.4	90%	0.902	65%	0.647	S	S	*	*			trans	-57.6	91.9	176.5	-68.7	174.3	-8.5	0	0	108	E418 A422	E418-Q420 PolarHBondContact O-N 3.3Å; E418-Q420 VanDerWaalsContact O-N 3.08Å; Q420-A422 PolarHBondContact O-N 3.29Å; Q420-A422 VanDerWaalsContact O-N 3.07Å
421	H	26.8	Very low	37.2	Very low	160 Å²	160	118.7 Å²	118.7	74%	0.741	64%	0.64	S	S	*	*			trans	-81.7	108.7	-156.8	-97.7	-55.5	0	0	0	110.4	P419	P419-H421 WeakPolarHBondContact CG-NE2 3.43Å; P419-H421 WeakPolarHBondContact O-CA 3.2Å; P419-H421 WeakPolarHBondContact O-CB 3.48Å; P419-H421 PolarHBondContact O-CD2 3.43Å; P419-H421 VanDerWaalsContact O-CG 3.26Å; P419-H421 PolarHBondContact O-N 2.98Å
422	A	26.8	Very low	38.9	Very low	86 Å²	86	116.7 Å²	116.7	71%	0.711	61%	0.611	S	S	*	*			trans	-39.1	154.9	168.8	0	0	0	0	0	114.1	Q420	Q420-A422 PolarHBondContact O-N 3.29Å; Q420-A422 VanDerWaalsContact O-N 3.07Å
423	E	29.4	Very low	41.1	Very low	137 Å²	137	114.6 Å²	114.6	64%	0.64	61%	0.612	S	S	*	*			trans	-46.1	150.1	-168.6	-61.5	175.9	136.6	0	0	115.8	H425	E423-H425 PolarHBondContact O-N 3.33Å
424	H	37.7	Very low	43.6	Very low	104 Å²	104	118 Å²	118	48%	0.481	61%	0.611	S	S	.	*	S	Bend	trans	-60.5	24.8	-166.2	-97.9	56.4	0	0	0	118.6	K996	H424-K996 PolarHBondContact CE1-NZ 3.05Å; H424-K996 PolarHBondContact NE2-NZ 3.08Å
425	H	44.8	Very low	46.3	Very low	64 Å²	64	117 Å²	117	30%	0.296	61%	0.606	S	S	.	*			trans	-104.5	139.5	-171	-54.2	-67.5	0	0	0	112.4	E423 C571	E423-H425 PolarHBondContact O-N 3.33Å; H425-C571 PolarHBondContact CE1-O 3.44Å; H425-C571 PolarHBondContact ND1-SG 3.28Å
426	G	51.1	Low	48.9	Very low	34 Å²	34	112.9 Å²	112.9	35%	0.351	59%	0.585	S	S	.	*			trans	-63	163.4	173.1	0	0	0	0	0	111.3	E428 L429	G426-E428 PolarHBondContact O-N 3.24Å; G426-L429 PolarHBondContact O-N 3.42Å
427	P	51.5	Low	51.6	Low	105 Å²	105	107.2 Å²	107.2	68%	0.682	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-1.7	179.8	28.9	-36.9	0	0	0	113.9
428	E	55.6	Low	54.5	Low	58 Å²	58	99.1 Å²	99.1	27%	0.271	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-18.6	-179.2	-44.7	-170.7	108.3	0	0	113.5	G426 R445 C803	G426-E428 PolarHBondContact O-N 3.24Å; E428-R445 IonicContact OE1-CZ 3.68Å; E428-R445 IonicContact OE1-NE 3.45Å; E428-R445 IonicContact OE1-NH1 3.47Å; E428-R445 PolarHBondContact OE1-NH1 2.88Å; E428-C803 PolarHBondContact OE1-N 3.39Å; E428-C803 PolarHBondContact OE1-SG 3.04Å; E428-C803 PolarHBondContact OE2-SG 2.87Å
429	L	61.8	Low	57.5	Low	26 Å²	26	91.6 Å²	91.6	14%	0.136	48%	0.482	C	S	.	.	S	Bend	trans	-121.3	3.2	-175	-70.8	149.3	0	0	0	113.6	G426 S568 V570 C571 Y805	G426-L429 PolarHBondContact O-N 3.42Å; L429-S568 WeakPolarHBondContact O-CB 3.26Å; L429-V570 HydrophobicContact CD2-CB 4.16Å; L429-C571 WeakPolarHBondContact CB-SG 3.45Å; L429-Y805 HydrophobicContact CD1-CE2 4.24Å; L429-Y805 HydrophobicContact CD2-CD2 3.85Å; L429-Y805 HydrophobicContact CD2-CE2 3.96Å; L429-Y805 HydrophobicContact CG-CD2 4.34Å; L429-Y805 HydrophobicContact CG-CE2 4.16Å
430	Q	64.8	Low	60.4	Low	129 Å²	129	93 Å²	93	60%	0.603	48%	0.484	S	S	*	.	S	Bend	trans	-72	131.4	176.3	-69.5	-175	-8.6	0	0	110.5	T432	Q430-T432 PolarHBondContact O-N 3.42Å
431	R	69.9	Low	63	Low	176 Å²	176	87.7 Å²	87.7	66%	0.664	46%	0.461	S	S	*	.			trans	-66.3	117.7	-178.3	-162.9	177.7	-166.7	-174.5	4.3	110.2	G433 D565	R431-G433 VanDerWaalsContact C-N 3.33Å; R431-G433 PolarHBondContact O-N 3.21Å; R431-D565 HydrophobicContact CG-CB 4.16Å
432	T	69.1	Low	65.9	Low	47 Å²	47	80.1 Å²	80.1	29%	0.288	43%	0.426	S	S	.	.			trans	-80.3	-16.3	-170.3	71.7	0	0	0	0	113.8	Q430 R434 G437 L441 D565	Q430-T432 PolarHBondContact O-N 3.42Å; T432-R434 PolarHBondContact O-N 3.47Å; T432-R434 PolarHBondContact OG1-N 2.95Å; T432-G437 WeakPolarHBondContact OG1-CA 3.41Å; T432-L441 HydrophobicContact CG2-CD1 3.76Å; T432-D565 WeakPolarHBondContact CB-OD2 3.32Å; T432-D565 PolarHBondContact N-OD2 3.28Å; T432-D565 PolarHBondContact OG1-OD2 2.98Å
433	G	70.5	Confident	68.8	Low	74 Å²	74	79.7 Å²	79.7	76%	0.763	41%	0.411	S	S	*	.	S	Bend	trans	71.3	6.2	-179.8	0	0	0	0	0	114.8	R431	R431-G433 VanDerWaalsContact C-N 3.33Å; R431-G433 PolarHBondContact O-N 3.21Å
434	R	79.1	Confident	71.6	Confident	201 Å²	201	81 Å²	81	76%	0.758	42%	0.415	S	S	*	.	S	Bend	trans	-118.5	141.1	177.2	-61.8	-177.8	-178.2	-171.7	0.2	109.7	T432 F436 G437	T432-R434 PolarHBondContact O-N 3.47Å; T432-R434 PolarHBondContact OG1-N 2.95Å; R434-F436 PolarHBondContact O-N 3.4Å; R434-G437 PolarHBondContact O-N 3.26Å
435	L	82.1	Confident	73.9	Confident	135 Å²	135	79.1 Å²	79.1	71%	0.707	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	129.7	174.1	-65.5	174.7	0	0	0	110	G437 A563	L435-G437 PolarHBondContact O-N 3.06Å; L435-A563 WeakPolarHBondContact CA-O 3.34Å; L435-A563 WeakPolarHBondContact CD2-O 3.5Å
436	F	82	Confident	75.8	Confident	86 Å²	86	76.9 Å²	76.9	38%	0.377	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	15.1	-173.5	-59	-80.9	0	0	0	115.9	R434 G438 L439 I440 V562 A563	R434-F436 PolarHBondContact O-N 3.4Å; F436-G438 PolarHBondContact O-N 2.73Å; F436-L439 HydrophobicContact CD1-CD2 3.84Å; F436-L439 PolarHBondContact O-N 3.46Å; F436-I440 WeakPolarHBondContact O-CG1 3.02Å; F436-I440 PolarHBondContact O-N 2.87Å; F436-I440 VanDerWaalsContact O-N 3.14Å; F436-V562 HydrophobicContact CD1-CG1 4.4Å; F436-A563 HydrophobicContact CD1-CB 4.42Å; F436-A563 HydrophobicContact CD2-CB 4.47Å; F436-A563 HydrophobicContact CE1-CB 3.97Å; F436-A563 HydrophobicContact CE2-CB 4.02Å; F436-A563 HydrophobicContact CZ-CB 3.75Å; F436-A563 PolarHBondContact N-O 2.71Å
437	G	81.7	Confident	77.5	Confident	11 Å²	11	78.2 Å²	78.2	11%	0.113	40%	0.4	C	S	.	.	H	α-helix	trans	-63.1	-42.9	-178.1	0	0	0	0	0	113.1	T432 R434 L435 I440 L441	T432-G437 WeakPolarHBondContact OG1-CA 3.41Å; R434-G437 PolarHBondContact O-N 3.26Å; L435-G437 PolarHBondContact O-N 3.06Å; G437-I440 PolarHBondContact O-N 3.16Å; G437-L441 WeakPolarHBondContact O-CG 3.22Å; G437-L441 PolarHBondContact O-N 3.13Å
438	G	82.4	Confident	79.2	Confident	5 Å²	5	77.7 Å²	77.7	5%	0.052	40%	0.397	C	S	.	.	H	α-helix	trans	-61.5	-44.1	174.9	0	0	0	0	0	113	F436 I440 L441 D442 D565	F436-G438 PolarHBondContact O-N 2.73Å; G438-I440 PolarHBondContact O-N 2.92Å; G438-L441 PolarHBondContact O-N 3.35Å; G438-D442 PolarHBondContact O-N 3.19Å; G438-D565 PolarHBondContact N-OD1 3.1Å
439	L	85.7	Confident	80.6	Confident	16 Å²	16	78.8 Å²	78.8	8%	0.084	40%	0.401	C	S	.	.	H	α-helix	trans	-60.7	-43.3	179.3	179.4	67.6	0	0	0	112.8	F436 L441 D442 I443 V562 H806 L807 L810	F436-L439 HydrophobicContact CD1-CD2 3.84Å; F436-L439 PolarHBondContact O-N 3.46Å; L439-L441 VanDerWaalsContact C-N 3.3Å; L439-L441 PolarHBondContact O-N 3.48Å; L439-D442 PolarHBondContact O-N 2.92Å; L439-I443 HydrophobicContact CD1-CD1 4.18Å; L439-I443 HydrophobicContact CD1-CG1 4.5Å; L439-I443 HydrophobicContact CG-CD1 4.02Å; L439-I443 WeakPolarHBondContact O-CG1 3.35Å; L439-I443 PolarHBondContact O-N 3.47Å; L439-V562 HydrophobicContact CB-CG1 4.34Å; L439-V562 HydrophobicContact CD2-CG1 4.33Å; L439-H806 HydrophobicContact CB-CB 4.19Å; L439-H806 HydrophobicContact CD1-CB 4.26Å; L439-L807 HydrophobicContact CD1-CB 4.12Å; L439-L807 HydrophobicContact CD1-CD1 4.08Å; L439-L810 HydrophobicContact CD1-CB 4.47Å; L439-L810 HydrophobicContact CD1-CD2 3.85Å; L439-L810 HydrophobicContact CD2-CD2 3.75Å; L439-L810 HydrophobicContact CG-CD2 4.46Å
440	I	86.8	Confident	81.8	Confident	106 Å²	106	81.4 Å²	81.4	54%	0.544	41%	0.41	S	S	.	.	H	α-helix	trans	-65.7	-36.2	179.9	-66.4	166.6	0	0	0	110.8	F436 G437 G438 K444	F436-I440 WeakPolarHBondContact O-CG1 3.02Å; F436-I440 PolarHBondContact O-N 2.87Å; F436-I440 VanDerWaalsContact O-N 3.14Å; G437-I440 PolarHBondContact O-N 3.16Å; G438-I440 PolarHBondContact O-N 2.92Å; I440-K444 VanDerWaalsContact O-CB 3.29Å; I440-K444 WeakPolarHBondContact O-CB 3.48Å; I440-K444 PolarHBondContact O-N 2.98Å
441	L	84.5	Confident	82.9	Confident	81 Å²	81	81 Å²	81	42%	0.424	42%	0.416	S	S	.	.	H	α-helix	trans	-68.2	-41.8	175.6	-67.7	175.5	0	0	0	112.2	T432 G437 G438 L439 K444 R445	T432-L441 HydrophobicContact CG2-CD1 3.76Å; G437-L441 WeakPolarHBondContact O-CG 3.22Å; G437-L441 PolarHBondContact O-N 3.13Å; G438-L441 PolarHBondContact O-N 3.35Å; L439-L441 VanDerWaalsContact C-N 3.3Å; L439-L441 PolarHBondContact O-N 3.48Å; L441-K444 PolarHBondContact O-N 3.45Å; L441-R445 WeakPolarHBondContact O-CB 3.24Å; L441-R445 PolarHBondContact O-N 2.88Å
442	D	87.2	Confident	83.7	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.005	40%	0.398	C	S	.	.	H	α-helix	trans	-61.2	-46.9	176.3	-74.1	-8.7	0	0	0	111	G438 L439 R445 K446 G804 Y805 H806 L807	G438-D442 PolarHBondContact O-N 3.19Å; L439-D442 PolarHBondContact O-N 2.92Å; D442-R445 PolarHBondContact O-N 3.32Å; D442-R445 IonicContact OD1-NH1 3.8Å; D442-K446 WeakPolarHBondContact O-CG 3.4Å; D442-K446 PolarHBondContact O-N 3.05Å; D442-G804 VanDerWaalsContact OD2-C 3.31Å; D442-G804 WeakPolarHBondContact OD2-CA 3.43Å; D442-Y805 PolarHBondContact OD2-N 2.75Å; D442-H806 WeakPolarHBondContact OD2-CB 3.33Å; D442-H806 IonicContact OD2-CG 3.82Å; D442-H806 PolarHBondContact OD2-N 3.08Å; D442-H806 IonicContact OD2-ND1 2.88Å; D442-H806 PolarHBondContact OD2-ND1 3.44Å; D442-H806 VanDerWaalsContact OD2-ND1 3.14Å; D442-L807 HydrophobicContact CB-CB 4.45Å
443	I	87.9	Confident	84.6	Confident	78 Å²	78	72.7 Å²	72.7	40%	0.4	39%	0.386	S	S	.	.	H	α-helix	trans	-61.3	-47.2	176	-67.3	168.3	0	0	0	110.9	L439 R445 K446 A447 L807	L439-I443 HydrophobicContact CD1-CD1 4.18Å; L439-I443 HydrophobicContact CD1-CG1 4.5Å; L439-I443 HydrophobicContact CG-CD1 4.02Å; L439-I443 WeakPolarHBondContact O-CG1 3.35Å; L439-I443 PolarHBondContact O-N 3.47Å; I443-R445 PolarHBondContact O-N 3.42Å; I443-K446 PolarHBondContact O-N 3.37Å; I443-A447 WeakPolarHBondContact O-CB 3.05Å; I443-A447 PolarHBondContact O-N 3.17Å; I443-L807 HydrophobicContact CG1-CD1 4.19Å; I443-L807 HydrophobicContact CG1-CD2 4.27Å
444	K	88.5	Confident	85.3	Confident	165 Å²	165	72.1 Å²	72.1	72%	0.717	36%	0.363	S	S	*	.	H	α-helix	trans	-61.6	-32.3	-179.9	-171.5	178.2	-179.3	-178.4	0	112.5	I440 L441	I440-K444 VanDerWaalsContact O-CB 3.29Å; I440-K444 WeakPolarHBondContact O-CB 3.48Å; I440-K444 PolarHBondContact O-N 2.98Å; L441-K444 PolarHBondContact O-N 3.45Å
445	R	84.2	Confident	85.6	Confident	64 Å²	64	70.6 Å²	70.6	24%	0.242	36%	0.361	C	S	.	.	H	α-helix	trans	-75.8	-38.7	176.8	-163.1	-177.2	-54.9	124	18.6	112.4	E428 L441 D442 I443 F449 C803	E428-R445 IonicContact OE1-CZ 3.68Å; E428-R445 IonicContact OE1-NE 3.45Å; E428-R445 IonicContact OE1-NH1 3.47Å; E428-R445 PolarHBondContact OE1-NH1 2.88Å; L441-R445 WeakPolarHBondContact O-CB 3.24Å; L441-R445 PolarHBondContact O-N 2.88Å; D442-R445 PolarHBondContact O-N 3.32Å; D442-R445 IonicContact OD1-NH1 3.8Å; I443-R445 PolarHBondContact O-N 3.42Å; R445-F449 WeakPolarHBondContact O-CD2 3.44Å; R445-C803 PolarHBondContact NH1-O 3.45Å; R445-C803 VanDerWaalsContact NH1-O 3.14Å
446	K	85.8	Confident	85.6	Confident	17 Å²	17	67.3 Å²	67.3	7%	0.074	35%	0.345	C	S	.	.	H	α-helix	trans	-80.5	-34.8	-177.1	-71.1	-75.8	-176.8	-178.5	0	113.9	D442 I443 P448 F449 G513 Q514 G802	D442-K446 WeakPolarHBondContact O-CG 3.4Å; D442-K446 PolarHBondContact O-N 3.05Å; I443-K446 PolarHBondContact O-N 3.37Å; K446-P448 VanDerWaalsContact C-CD 3.5Å; K446-F449 PolarHBondContact O-N 3.31Å; K446-F449 VanDerWaalsContact O-N 3.08Å; K446-G513 WeakPolarHBondContact CD-O 3.49Å; K446-G513 WeakPolarHBondContact CE-O 3.46Å; K446-G513 PolarHBondContact NZ-O 3.5Å; K446-Q514 VanDerWaalsContact NZ-OE1 3.09Å; K446-G802 WeakPolarHBondContact CE-O 3.42Å; K446-G802 PolarHBondContact NZ-O 3.35Å
447	A	86.1	Confident	85.5	Confident	61 Å²	61	63.4 Å²	63.4	50%	0.504	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-46.9	-48.2	-174.5	0	0	0	0	0	116.2	I443 F449 Y450	I443-A447 WeakPolarHBondContact O-CB 3.05Å; I443-A447 PolarHBondContact O-N 3.17Å; A447-F449 VanDerWaalsContact C-N 3.27Å; A447-F449 PolarHBondContact O-N 3.14Å; A447-Y450 PolarHBondContact O-N 2.75Å
448	P	87.2	Confident	85.4	Confident	95 Å²	95	69.9 Å²	69.9	62%	0.617	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-68.2	-22.6	-177.7	26.8	-35.6	0	0	0	114.1	K446	K446-P448 VanDerWaalsContact C-CD 3.5Å
449	F	85.9	Confident	85.3	Confident	80 Å²	80	70.8 Å²	70.8	35%	0.351	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-89.1	-5.7	-178.4	-59.7	-71.9	0	0	0	113.6	R445 K446 A447 V451 S452 D453 K801	R445-F449 WeakPolarHBondContact O-CD2 3.44Å; K446-F449 PolarHBondContact O-N 3.31Å; K446-F449 VanDerWaalsContact O-N 3.08Å; A447-F449 VanDerWaalsContact C-N 3.27Å; A447-F449 PolarHBondContact O-N 3.14Å; F449-V451 VanDerWaalsContact C-N 3.29Å; F449-V451 PolarHBondContact O-N 3.42Å; F449-S452 PolarHBondContact O-N 3.48Å; F449-S452 PolarHBondContact O-OG 3.23Å; F449-D453 VanDerWaalsContact O-CG 3.27Å; F449-D453 PolarHBondContact O-N 2.72Å; F449-K801 HydrophobicContact CB-CD 4.09Å; F449-K801 HydrophobicContact CB-CG 4.34Å; F449-K801 HydrophobicContact CD1-CD 4.43Å; F449-K801 HydrophobicContact CD1-CG 4.06Å; F449-K801 HydrophobicContact CG-CD 4.33Å; F449-K801 HydrophobicContact CG-CG 4.06Å
450	Y	87.1	Confident	84.9	Confident	82 Å²	82	75.2 Å²	75.2	32%	0.322	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-38.8	-174.2	-164.2	-95.6	0	0	0	113.5	A447 F454 L510	A447-Y450 PolarHBondContact O-N 2.75Å; Y450-F454 HydrophobicContact CD1-CE2 4.31Å; Y450-F454 AromaticContact CE1-CE2 3.75Å; Y450-F454 HydrophobicContact CE1-CE2 3.75Å; Y450-F454 AromaticContact CZ-CE2 3.99Å; Y450-F454 WeakPolarHBondContact O-CD2 3.45Å; Y450-L510 VanDerWaalsContact CE2-O 3.26Å; Y450-L510 WeakPolarHBondContact CE2-O 3.32Å; Y450-L510 PolarHBondContact OH-O 2.91Å; Y450-L510 VanDerWaalsContact OH-O 3.04Å
451	V	86.9	Confident	84.6	Confident	120 Å²	120	71.6 Å²	71.6	73%	0.727	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-33.9	-179.8	-177.8	0	0	0	0	111.7	F449 F454 K455	F449-V451 VanDerWaalsContact C-N 3.29Å; F449-V451 PolarHBondContact O-N 3.42Å; V451-F454 PolarHBondContact O-N 3.31Å; V451-K455 PolarHBondContact O-N 2.97Å
452	S	86.6	Confident	84.6	Confident	41 Å²	41	67.9 Å²	67.9	29%	0.287	35%	0.35	S	S	.	.	H	α-helix	trans	-69.5	-34.5	175.6	54.2	0	0	0	0	112	F449 F454 K455 D456	F449-S452 PolarHBondContact O-N 3.48Å; F449-S452 PolarHBondContact O-OG 3.23Å; S452-F454 PolarHBondContact O-N 2.94Å; S452-K455 PolarHBondContact O-N 3.34Å; S452-D456 WeakPolarHBondContact O-CB 3.36Å; S452-D456 PolarHBondContact O-N 3.42Å
453	D	87.7	Confident	84.4	Confident	7 Å²	7	70.5 Å²	70.5	4%	0.037	37%	0.366	C	S	.	.	H	α-helix	trans	-53.9	-27.5	174.8	-70.7	-10.8	0	0	0	114.3	F449 K801 Q862 R863	F449-D453 VanDerWaalsContact O-CG 3.27Å; F449-D453 PolarHBondContact O-N 2.72Å; D453-K801 VanDerWaalsContact OD1-CD 3.28Å; D453-K801 WeakPolarHBondContact OD1-CD 3.37Å; D453-K801 WeakPolarHBondContact OD1-CE 3.45Å; D453-K801 IonicContact OD1-NZ 3.58Å; D453-K801 PolarHBondContact OD1-NZ 2.97Å; D453-Q862 WeakPolarHBondContact O-CA 3.46Å; D453-Q862 WeakPolarHBondContact O-CB 3.45Å; D453-R863 HydrophobicContact CB-CB 4.33Å; D453-R863 HydrophobicContact CB-CG 3.9Å; D453-R863 PolarHBondContact O-N 3.31Å; D453-R863 WeakPolarHBondContact OD2-CD 3.09Å; D453-R863 IonicContact OD2-CZ 2.74Å; D453-R863 IonicContact OD2-NE 2.78Å; D453-R863 PolarHBondContact OD2-NE 2.92Å; D453-R863 IonicContact OD2-NH2 3.19Å
454	F	87.1	Confident	84	Confident	62 Å²	62	66.9 Å²	66.9	27%	0.272	35%	0.348	S	S	.	.	H	α-helix	trans	-88.2	-36.1	174.5	-74.7	-81.7	0	0	0	112.8	Y450 V451 S452 G457 L510 R863 L864 L867	Y450-F454 HydrophobicContact CD1-CE2 4.31Å; Y450-F454 AromaticContact CE1-CE2 3.75Å; Y450-F454 HydrophobicContact CE1-CE2 3.75Å; Y450-F454 AromaticContact CZ-CE2 3.99Å; Y450-F454 WeakPolarHBondContact O-CD2 3.45Å; V451-F454 PolarHBondContact O-N 3.31Å; S452-F454 PolarHBondContact O-N 2.94Å; F454-G457 PolarHBondContact O-N 3.46Å; F454-L510 HydrophobicContact CZ-CD2 4.32Å; F454-R863 HydrophobicContact CE2-CB 4.45Å; F454-R863 HydrophobicContact CZ-CB 4.21Å; F454-L864 HydrophobicContact CD1-CD1 4.43Å; F454-L867 HydrophobicContact CE1-CD2 4.16Å
455	K	84.7	Confident	83.7	Confident	169 Å²	169	59.1 Å²	59.1	74%	0.735	32%	0.315	S	S	*	.	H	α-helix	trans	-66.4	-40.2	176.4	-167.5	178.2	-179	-178.5	0	111.7	V451 S452 G457	V451-K455 PolarHBondContact O-N 2.97Å; S452-K455 PolarHBondContact O-N 3.34Å; K455-G457 PolarHBondContact O-N 2.92Å
456	D	81.8	Confident	83.8	Confident	66 Å²	66	58.2 Å²	58.2	35%	0.353	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.8	178.9	-63	-23.2	0	0	0	112.8	S452 K801 Q862	S452-D456 WeakPolarHBondContact O-CB 3.36Å; S452-D456 PolarHBondContact O-N 3.42Å; D456-K801 IonicContact OD2-NZ 3.59Å; D456-K801 PolarHBondContact OD2-NZ 3.04Å; D456-Q862 HydrophobicContact CB-CB 4.4Å
457	G	78.9	Confident	83.7	Confident	4 Å²	4	59.6 Å²	59.6	4%	0.041	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-13.2	-178.3	0	0	0	0	0	115.7	F454 K455 S459 C462	F454-G457 PolarHBondContact O-N 3.46Å; K455-G457 PolarHBondContact O-N 2.92Å; G457-S459 PolarHBondContact O-N 2.75Å; G457-C462 WeakPolarHBondContact O-CB 3.19Å; G457-C462 PolarHBondContact O-SG 3.38Å
458	L	80.8	Confident	83.5	Confident	147 Å²	147	57.6 Å²	57.6	77%	0.77	30%	0.3	S	S	*	.			trans	-83.2	38.9	-172.6	-68.7	171	0	0	0	114	L864	L458-L864 HydrophobicContact CD2-CD2 4.18Å
459	S	79.3	Confident	83.4	Confident	24 Å²	24	53.1 Å²	53.1	17%	0.168	27%	0.271	C	S	.	.	S	Bend	trans	-109.4	151.7	-178.8	80.1	0	0	0	0	113.1	G457 Q461 C462 V463 R860	G457-S459 PolarHBondContact O-N 2.75Å; S459-Q461 PolarHBondContact O-N 3.14Å; S459-C462 WeakPolarHBondContact O-CB 3.19Å; S459-C462 PolarHBondContact O-N 3.1Å; S459-C462 PolarHBondContact OG-N 3.01Å; S459-C462 PolarHBondContact OG-SG 2.95Å; S459-V463 PolarHBondContact O-N 3.3Å; S459-R860 PolarHBondContact OG-NH1 2.99Å
460	L	78.4	Confident	83.4	Confident	109 Å²	109	50.6 Å²	50.6	57%	0.571	26%	0.26	S	S	*	.	H	α-helix	trans	-59.8	-30.9	179.1	-166.3	65.1	0	0	0	112.9	C462 V463 A464 M712	L460-C462 VanDerWaalsContact C-N 3.34Å; L460-V463 WeakPolarHBondContact O-CB 2.92Å; L460-V463 PolarHBondContact O-N 2.91Å; L460-A464 PolarHBondContact O-N 3.44Å; L460-M712 HydrophobicContact CD2-CE 3.6Å; L460-M712 HydrophobicContact CD2-SD 3.57Å; L460-M712 VanDerWaalsContact CD2-SD 3.57Å; L460-M712 HydrophobicContact CG-CE 4.09Å; L460-M712 HydrophobicContact CG-SD 4.11Å
461	Q	81.1	Confident	83	Confident	30 Å²	30	47.6 Å²	47.6	14%	0.14	25%	0.25	C	S	.	.	H	α-helix	trans	-64	-36.5	173	-176.2	-178.7	3.7	0	0	112.2	S459 V463 A464 S465 S840 K842 L843	S459-Q461 PolarHBondContact O-N 3.14Å; Q461-V463 VanDerWaalsContact C-N 3.27Å; Q461-V463 PolarHBondContact O-N 3.48Å; Q461-A464 PolarHBondContact O-N 3.31Å; Q461-S465 WeakPolarHBondContact O-CB 3.4Å; Q461-S465 PolarHBondContact O-N 3.04Å; Q461-S840 PolarHBondContact NE2-O 3.28Å; Q461-K842 PolarHBondContact NE2-O 3.44Å; Q461-K842 VanDerWaalsContact NE2-O 3.16Å; Q461-L843 VanDerWaalsContact OE1-CD2 3.3Å
462	C	83.1	Confident	82.7	Confident	4 Å²	4	42 Å²	42	3%	0.027	22%	0.217	C	C	.	.	H	α-helix	trans	-66.5	-30.6	176.2	-63.2	0	0	0	0	111.7	G457 S459 L460 S465 F466 T865	G457-C462 WeakPolarHBondContact O-CB 3.19Å; G457-C462 PolarHBondContact O-SG 3.38Å; S459-C462 WeakPolarHBondContact O-CB 3.19Å; S459-C462 PolarHBondContact O-N 3.1Å; S459-C462 PolarHBondContact OG-N 3.01Å; S459-C462 PolarHBondContact OG-SG 2.95Å; L460-C462 VanDerWaalsContact C-N 3.34Å; C462-S465 WeakPolarHBondContact O-CB 3.44Å; C462-S465 PolarHBondContact O-N 3.28Å; C462-F466 WeakPolarHBondContact O-CD1 3.49Å; C462-F466 PolarHBondContact O-N 3.1Å; C462-T865 HydrophobicContact CB-CG2 3.9Å
463	V	84	Confident	82.4	Confident	56 Å²	56	40.2 Å²	40.2	34%	0.339	20%	0.204	S	C	.	.	H	α-helix	trans	-66.2	-46	173.5	-176.7	0	0	0	0	111.6	S459 L460 Q461 S465 F466 L467	S459-V463 PolarHBondContact O-N 3.3Å; L460-V463 WeakPolarHBondContact O-CB 2.92Å; L460-V463 PolarHBondContact O-N 2.91Å; Q461-V463 VanDerWaalsContact C-N 3.27Å; Q461-V463 PolarHBondContact O-N 3.48Å; V463-S465 VanDerWaalsContact C-N 3.3Å; V463-S465 PolarHBondContact O-N 3.46Å; V463-F466 HydrophobicContact CB-CE1 4.09Å; V463-F466 HydrophobicContact CB-CZ 4.42Å; V463-F466 HydrophobicContact CG1-CE1 4.09Å; V463-F466 HydrophobicContact CG1-CZ 3.91Å; V463-F466 HydrophobicContact CG2-CE1 4.06Å; V463-L467 HydrophobicContact CG1-CD1 4.24Å; V463-L467 WeakPolarHBondContact O-CG 3.08Å; V463-L467 PolarHBondContact O-N 3.49Å
464	A	79.8	Confident	82.2	Confident	2 Å²	2	40.3 Å²	40.3	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-58.9	-44.2	173.6	0	0	0	0	0	111.7	L460 Q461 F468 D715 F716	L460-A464 PolarHBondContact O-N 3.44Å; Q461-A464 PolarHBondContact O-N 3.31Å; A464-F468 WeakPolarHBondContact O-CB 3.3Å; A464-F468 PolarHBondContact O-N 3.18Å; A464-F468 VanDerWaalsContact O-N 3.08Å; A464-D715 HydrophobicContact CB-CB 4.16Å; A464-F716 HydrophobicContact CB-CD1 4.04Å; A464-F716 HydrophobicContact CB-CD2 3.81Å; A464-F716 HydrophobicContact CB-CE1 3.82Å; A464-F716 HydrophobicContact CB-CE2 3.55Å; A464-F716 HydrophobicContact CB-CG 4.05Å; A464-F716 HydrophobicContact CB-CZ 3.56Å
465	S	82.3	Confident	81.7	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.014	19%	0.192	C	C	.	.	H	α-helix	trans	-58.8	-55.8	178.5	-176.4	0	0	0	0	112	Q461 C462 V463 L467 F468 L469 S840	Q461-S465 WeakPolarHBondContact O-CB 3.4Å; Q461-S465 PolarHBondContact O-N 3.04Å; C462-S465 WeakPolarHBondContact O-CB 3.44Å; C462-S465 PolarHBondContact O-N 3.28Å; V463-S465 VanDerWaalsContact C-N 3.3Å; V463-S465 PolarHBondContact O-N 3.46Å; S465-L467 VanDerWaalsContact C-N 3.32Å; S465-L467 PolarHBondContact O-N 3.41Å; S465-F468 PolarHBondContact O-N 3.44Å; S465-L469 WeakPolarHBondContact O-CB 3.3Å; S465-L469 WeakPolarHBondContact O-CD1 3.42Å; S465-L469 PolarHBondContact O-N 2.89Å; S465-S840 PolarHBondContact OG-OG 2.84Å
466	F	85.9	Confident	81.3	Confident	45 Å²	45	29.8 Å²	29.8	20%	0.197	16%	0.159	C	C	.	.	H	α-helix	trans	-65.8	-32.4	-175.9	74.6	-118.4	0	0	0	113.3	C462 V463 Y470 V868 I869 L872	C462-F466 WeakPolarHBondContact O-CD1 3.49Å; C462-F466 PolarHBondContact O-N 3.1Å; V463-F466 HydrophobicContact CB-CE1 4.09Å; V463-F466 HydrophobicContact CB-CZ 4.42Å; V463-F466 HydrophobicContact CG1-CE1 4.09Å; V463-F466 HydrophobicContact CG1-CZ 3.91Å; V463-F466 HydrophobicContact CG2-CE1 4.06Å; F466-Y470 WeakPolarHBondContact O-CB 3.28Å; F466-Y470 PolarHBondContact O-N 3.31Å; F466-V868 HydrophobicContact CB-CG1 4.16Å; F466-V868 HydrophobicContact CD1-CB 4.49Å; F466-V868 HydrophobicContact CD1-CG1 3.91Å; F466-V868 HydrophobicContact CD2-CG1 3.71Å; F466-V868 HydrophobicContact CE1-CG1 4.16Å; F466-V868 HydrophobicContact CE2-CG1 4Å; F466-V868 HydrophobicContact CG-CB 4.44Å; F466-V868 HydrophobicContact CG-CG1 3.7Å; F466-V868 HydrophobicContact CZ-CG1 4.22Å; F466-I869 HydrophobicContact CB-CD1 4.48Å; F466-I869 HydrophobicContact CB-CG1 3.88Å; F466-L872 HydrophobicContact CD2-CD1 3.83Å; F466-L872 HydrophobicContact CE2-CD1 4.04Å
467	L	83.3	Confident	81.4	Confident	46 Å²	46	26.9 Å²	26.9	24%	0.241	14%	0.144	C	C	.	.	H	α-helix	trans	-70.1	-44.2	177	-72.2	174.1	0	0	0	112.4	V463 S465 C471 F716 F719	V463-L467 HydrophobicContact CG1-CD1 4.24Å; V463-L467 WeakPolarHBondContact O-CG 3.08Å; V463-L467 PolarHBondContact O-N 3.49Å; S465-L467 VanDerWaalsContact C-N 3.32Å; S465-L467 PolarHBondContact O-N 3.41Å; L467-C471 PolarHBondContact O-N 3.45Å; L467-F716 HydrophobicContact CD1-CE1 4.2Å; L467-F719 HydrophobicContact CB-CD2 4.12Å; L467-F719 HydrophobicContact CB-CE2 4.36Å; L467-F719 HydrophobicContact CB-CG 4.43Å
468	F	82.6	Confident	81.5	Confident	19 Å²	19	27.4 Å²	27.4	8%	0.083	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-50.4	172.7	157.3	-129	0	0	0	110.9	A464 S465 Y470 C471 A472 V718 M898	A464-F468 WeakPolarHBondContact O-CB 3.3Å; A464-F468 PolarHBondContact O-N 3.18Å; A464-F468 VanDerWaalsContact O-N 3.08Å; S465-F468 PolarHBondContact O-N 3.44Å; F468-Y470 PolarHBondContact O-N 3.36Å; F468-C471 PolarHBondContact O-N 2.77Å; F468-A472 HydrophobicContact CE2-CB 4.04Å; F468-A472 PolarHBondContact O-N 2.7Å; F468-V718 HydrophobicContact CD2-CB 3.59Å; F468-V718 HydrophobicContact CD2-CG1 3.7Å; F468-V718 HydrophobicContact CD2-CG2 4.11Å; F468-V718 HydrophobicContact CE2-CB 3.85Å; F468-V718 HydrophobicContact CE2-CG1 3.72Å; F468-V718 HydrophobicContact CE2-CG2 3.95Å; F468-V718 HydrophobicContact CG-CB 4.41Å; F468-M898 HydrophobicContact CE2-SD 4.31Å; F468-M898 HydrophobicContact CZ-SD 4.23Å
469	L	84.4	Confident	81.3	Confident	1 Å²	1	21 Å²	21	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-72.4	-27.9	-174.8	-82.4	106.9	0	0	0	113.8	S465 A472 C473 I518 H837 I869	S465-L469 WeakPolarHBondContact O-CB 3.3Å; S465-L469 WeakPolarHBondContact O-CD1 3.42Å; S465-L469 PolarHBondContact O-N 2.89Å; L469-A472 PolarHBondContact O-N 2.8Å; L469-C473 VanDerWaalsContact O-CB 3.28Å; L469-C473 WeakPolarHBondContact O-CB 3.34Å; L469-C473 PolarHBondContact O-N 3.43Å; L469-C473 PolarHBondContact O-SG 3.01Å; L469-I518 HydrophobicContact CD2-CD1 3.27Å; L469-H837 HydrophobicContact CD2-CB 3.49Å; L469-H837 VanDerWaalsContact CD2-CB 3.49Å; L469-I869 HydrophobicContact CB-CD1 3.52Å; L469-I869 HydrophobicContact CB-CG1 4.12Å; L469-I869 HydrophobicContact CD2-CD1 4.43Å; L469-I869 HydrophobicContact CG-CD1 4.47Å
470	Y	86.3	Confident	81.2	Confident	27 Å²	27	20.6 Å²	20.6	11%	0.106	11%	0.108	C	C	.	.	H	α-helix	trans	-55.4	-52.8	168.6	166.5	-103.5	0	0	0	111.4	F466 F468 A472 C473 M474 L872 S876	F466-Y470 WeakPolarHBondContact O-CB 3.28Å; F466-Y470 PolarHBondContact O-N 3.31Å; F468-Y470 PolarHBondContact O-N 3.36Å; Y470-A472 VanDerWaalsContact C-N 3.33Å; Y470-A472 PolarHBondContact O-N 3.16Å; Y470-C473 PolarHBondContact O-N 3.06Å; Y470-M474 HydrophobicContact CE2-SD 4.16Å; Y470-M474 VanDerWaalsContact O-CB 3.29Å; Y470-M474 WeakPolarHBondContact O-CB 3.46Å; Y470-M474 PolarHBondContact O-N 3.32Å; Y470-L872 HydrophobicContact CD2-CB 3.75Å; Y470-L872 HydrophobicContact CE2-CB 3.99Å; Y470-S876 VanDerWaalsContact OH-CB 3.27Å; Y470-S876 WeakPolarHBondContact OH-CB 3.45Å
471	C	78.8	Confident	81.4	Confident	18 Å²	18	15.4 Å²	15.4	12%	0.122	8%	0.081	C	C	.	.	H	α-helix	trans	-62.9	-38.6	177	-65	0	0	0	0	112.5	L467 F468 I722	L467-C471 PolarHBondContact O-N 3.45Å; F468-C471 PolarHBondContact O-N 2.77Å; C471-I722 HydrophobicContact CB-CD1 3.62Å
472	A	78.9	Confident	81.1	Confident	3 Å²	3	15.4 Å²	15.4	3%	0.025	9%	0.089	C	C	.	.	H	α-helix	trans	-69.9	-38.1	179.9	0	0	0	0	0	113.6	F468 L469 Y470 P476 L833 M898	F468-A472 HydrophobicContact CE2-CB 4.04Å; F468-A472 PolarHBondContact O-N 2.7Å; L469-A472 PolarHBondContact O-N 2.8Å; Y470-A472 VanDerWaalsContact C-N 3.33Å; Y470-A472 PolarHBondContact O-N 3.16Å; A472-P476 WeakPolarHBondContact O-CD 3.13Å; A472-P476 WeakPolarHBondContact O-CG 3.47Å; A472-L833 HydrophobicContact CB-CD2 4.1Å; A472-M898 HydrophobicContact CB-CE 4.14Å; A472-M898 HydrophobicContact CB-SD 3.73Å
473	C	82.2	Confident	80.9	Confident	3 Å²	3	18.6 Å²	18.6	2%	0.02	11%	0.105	C	C	.	.	H	α-helix	trans	-79.9	-30.8	-179	-64	0	0	0	0	112.6	L469 Y470 P476 V477 I869	L469-C473 VanDerWaalsContact O-CB 3.28Å; L469-C473 WeakPolarHBondContact O-CB 3.34Å; L469-C473 PolarHBondContact O-N 3.43Å; L469-C473 PolarHBondContact O-SG 3.01Å; Y470-C473 PolarHBondContact O-N 3.06Å; C473-P476 WeakPolarHBondContact O-CD 3.4Å; C473-V477 VanDerWaalsContact O-CG2 3.29Å; C473-V477 WeakPolarHBondContact O-CG2 3.41Å; C473-V477 PolarHBondContact O-N 3.17Å; C473-I869 HydrophobicContact CB-CG2 4.38Å
474	M	81.9	Confident	80.7	Confident	9 Å²	9	16.2 Å²	16.2	4%	0.044	9%	0.091	C	C	.	.	H	α-helix	trans	-69.8	-39.6	-176.2	-175.3	161.6	-162.3	0	0	113.5	Y470 V477 I478 L498 M873 S876 L883	Y470-M474 HydrophobicContact CE2-SD 4.16Å; Y470-M474 VanDerWaalsContact O-CB 3.29Å; Y470-M474 WeakPolarHBondContact O-CB 3.46Å; Y470-M474 PolarHBondContact O-N 3.32Å; M474-V477 PolarHBondContact O-N 3.2Å; M474-I478 HydrophobicContact CE-CD1 3.51Å; M474-I478 HydrophobicContact CG-CD1 3.81Å; M474-I478 HydrophobicContact CG-CG1 4.44Å; M474-I478 PolarHBondContact O-N 2.89Å; M474-I478 HydrophobicContact SD-CD1 4.45Å; M474-L498 HydrophobicContact CE-CD1 4.02Å; M474-L498 HydrophobicContact CE-CD2 4.5Å; M474-M873 HydrophobicContact CB-SD 4.48Å; M474-S876 VanDerWaalsContact CE-OG 3.23Å; M474-S876 WeakPolarHBondContact CE-OG 3.26Å; M474-L883 HydrophobicContact CE-CD2 3.1Å; M474-L883 HydrophobicContact SD-CD2 3.34Å; M474-L883 WeakPolarHBondContact SD-CD2 3.38Å
475	S	76.9	Confident	80.8	Confident	2 Å²	2	16.6 Å²	16.6	1%	0.014	9%	0.094	C	C	.	.	H	α-helix	trans	-64	-46.2	-177.3	179.5	0	0	0	0	113.4	V477 I478 T479 F895	S475-V477 PolarHBondContact O-N 2.98Å; S475-I478 PolarHBondContact O-N 2.74Å; S475-T479 WeakPolarHBondContact O-CB 3.32Å; S475-T479 VanDerWaalsContact O-CG2 3.31Å; S475-T479 WeakPolarHBondContact O-CG2 3.27Å; S475-T479 PolarHBondContact O-N 3.48Å; S475-T479 PolarHBondContact O-OG1 2.86Å; S475-F895 WeakPolarHBondContact OG-CZ 3.36Å
476	P	77.3	Confident	80.7	Confident	8 Å²	8	24 Å²	24	5%	0.052	13%	0.129	C	C	.	.	H	α-helix	trans	-60.9	-41.6	173.4	-24.1	34.4	0	0	0	112.5	A472 C473 I478 T479 F480 F895	A472-P476 WeakPolarHBondContact O-CD 3.13Å; A472-P476 WeakPolarHBondContact O-CG 3.47Å; C473-P476 WeakPolarHBondContact O-CD 3.4Å; P476-I478 PolarHBondContact O-N 3.02Å; P476-T479 WeakPolarHBondContact CA-OG1 3.41Å; P476-T479 PolarHBondContact O-N 3.36Å; P476-T479 PolarHBondContact O-OG1 3.5Å; P476-F480 HydrophobicContact CB-CD2 4.15Å; P476-F480 HydrophobicContact CB-CE2 4.08Å; P476-F480 WeakPolarHBondContact O-CB 3.29Å; P476-F480 WeakPolarHBondContact O-CD2 3.43Å; P476-F480 WeakPolarHBondContact O-CG 3.42Å; P476-F480 PolarHBondContact O-N 3.3Å; P476-F895 HydrophobicContact CB-CZ 4.46Å; P476-F895 HydrophobicContact CG-CE1 3.8Å; P476-F895 HydrophobicContact CG-CZ 3.61Å
477	V	83.6	Confident	80.5	Confident	6 Å²	6	23 Å²	23	4%	0.036	13%	0.129	C	C	.	.	H	α-helix	trans	-62.6	-42.5	-179.5	171.4	0	0	0	0	111.6	C473 M474 S475 G481 L498 A501 M873	C473-V477 VanDerWaalsContact O-CG2 3.29Å; C473-V477 WeakPolarHBondContact O-CG2 3.41Å; C473-V477 PolarHBondContact O-N 3.17Å; M474-V477 PolarHBondContact O-N 3.2Å; S475-V477 PolarHBondContact O-N 2.98Å; V477-G481 PolarHBondContact O-N 3.41Å; V477-L498 HydrophobicContact CG1-CD1 4.27Å; V477-A501 HydrophobicContact CG1-CB 3.82Å; V477-A501 HydrophobicContact CG2-CB 3.86Å; V477-M873 HydrophobicContact CB-SD 4.38Å; V477-M873 HydrophobicContact CG1-SD 4.47Å; V477-M873 HydrophobicContact CG2-CE 4.4Å; V477-M873 HydrophobicContact CG2-SD 4.17Å
478	I	80.4	Confident	80.5	Confident	14 Å²	14	20.8 Å²	20.8	7%	0.072	12%	0.117	C	C	.	.	H	α-helix	trans	-74.2	-43.1	177	-68.3	174.1	0	0	0	111.8	M474 S475 P476 G481 G482 L739 V741	M474-I478 HydrophobicContact CE-CD1 3.51Å; M474-I478 HydrophobicContact CG-CD1 3.81Å; M474-I478 HydrophobicContact CG-CG1 4.44Å; M474-I478 PolarHBondContact O-N 2.89Å; M474-I478 HydrophobicContact SD-CD1 4.45Å; S475-I478 PolarHBondContact O-N 2.74Å; P476-I478 PolarHBondContact O-N 3.02Å; I478-G481 PolarHBondContact O-N 3.08Å; I478-G482 PolarHBondContact O-N 2.85Å; I478-L739 HydrophobicContact CB-CD1 4.3Å; I478-L739 HydrophobicContact CD1-CD1 4.11Å; I478-L739 HydrophobicContact CD1-CD2 3.94Å; I478-L739 HydrophobicContact CD1-CG 4.23Å; I478-L739 HydrophobicContact CG2-CD1 3.8Å; I478-V741 HydrophobicContact CD1-CG2 4.14Å
479	T	76.3	Confident	80.6	Confident	12 Å²	12	24.9 Å²	24.9	7%	0.074	14%	0.137	C	C	.	.	H	α-helix	trans	-67.2	-43.7	-177.8	52.2	0	0	0	0	111.7	S475 P476 G482 L483 M888	S475-T479 WeakPolarHBondContact O-CB 3.32Å; S475-T479 VanDerWaalsContact O-CG2 3.31Å; S475-T479 WeakPolarHBondContact O-CG2 3.27Å; S475-T479 PolarHBondContact O-N 3.48Å; S475-T479 PolarHBondContact O-OG1 2.86Å; P476-T479 WeakPolarHBondContact CA-OG1 3.41Å; P476-T479 PolarHBondContact O-N 3.36Å; P476-T479 PolarHBondContact O-OG1 3.5Å; T479-G482 PolarHBondContact O-N 2.67Å; T479-L483 WeakPolarHBondContact O-CG 3.15Å; T479-L483 PolarHBondContact O-N 3.31Å; T479-M888 HydrophobicContact CG2-CE 3.79Å
480	F	78.6	Confident	80.3	Confident	17 Å²	17	25.8 Å²	25.8	8%	0.075	15%	0.146	C	C	.	.	H	α-helix	trans	-68.8	-34.5	172.1	-66	-47.5	0	0	0	112.6	P476 G482 L483 L484 S521 L526	P476-F480 HydrophobicContact CB-CD2 4.15Å; P476-F480 HydrophobicContact CB-CE2 4.08Å; P476-F480 WeakPolarHBondContact O-CB 3.29Å; P476-F480 WeakPolarHBondContact O-CD2 3.43Å; P476-F480 WeakPolarHBondContact O-CG 3.42Å; P476-F480 PolarHBondContact O-N 3.3Å; F480-G482 VanDerWaalsContact C-N 3.34Å; F480-L483 HydrophobicContact CD1-CD1 4.25Å; F480-L483 PolarHBondContact O-N 3.34Å; F480-L484 VanDerWaalsContact O-CB 3.25Å; F480-L484 WeakPolarHBondContact O-CB 3.4Å; F480-L484 PolarHBondContact O-N 3.34Å; F480-S521 WeakPolarHBondContact CD2-O 3.47Å; F480-S521 WeakPolarHBondContact CE2-O 3.21Å; F480-L526 HydrophobicContact CD1-CD2 3.7Å; F480-L526 HydrophobicContact CE1-CD2 4.36Å
481	G	81.4	Confident	80	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.6	-33.7	173.1	0	0	0	0	0	114	V477 I478 G485 S493 A494 S497	V477-G481 PolarHBondContact O-N 3.41Å; I478-G481 PolarHBondContact O-N 3.08Å; G481-G485 PolarHBondContact O-N 2.92Å; G481-S493 CarbonylContact O-C 3.44Å; G481-S493 WeakPolarHBondContact O-CA 3.26Å; G481-A494 PolarHBondContact O-N 2.76Å; G481-S497 WeakPolarHBondContact CA-OG 3.25Å
482	G	75.9	Confident	80.2	Confident	29 Å²	29	26.9 Å²	26.9	30%	0.299	15%	0.147	S	C	.	.	H	α-helix	trans	-68.1	-50.1	171.6	0	0	0	0	0	112.2	I478 T479 F480 L484 G485 E486	I478-G482 PolarHBondContact O-N 2.85Å; T479-G482 PolarHBondContact O-N 2.67Å; F480-G482 VanDerWaalsContact C-N 3.34Å; G482-L484 VanDerWaalsContact C-N 3.28Å; G482-L484 PolarHBondContact O-N 3.37Å; G482-G485 WeakPolarHBondContact O-CA 3.19Å; G482-G485 PolarHBondContact O-N 2.8Å; G482-E486 PolarHBondContact O-N 3.12Å
483	L	77.8	Confident	80.4	Confident	72 Å²	72	27.8 Å²	27.8	38%	0.377	15%	0.154	S	C	.	.	H	α-helix	trans	-60.9	-35.9	176.9	-69.7	168.3	0	0	0	112.5	T479 F480 A487 L526	T479-L483 WeakPolarHBondContact O-CG 3.15Å; T479-L483 PolarHBondContact O-N 3.31Å; F480-L483 HydrophobicContact CD1-CD1 4.25Å; F480-L483 PolarHBondContact O-N 3.34Å; L483-A487 WeakPolarHBondContact O-CB 3.37Å; L483-A487 PolarHBondContact O-N 3.43Å; L483-L526 HydrophobicContact CB-CD2 4.21Å; L483-L526 HydrophobicContact CD1-CD2 4.46Å
484	L	81.1	Confident	80.4	Confident	6 Å²	6	28.5 Å²	28.5	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-69.4	-36.6	173.2	-173.1	64.7	0	0	0	111.6	F480 G482 A487 T488 I492 L526 E529 P825	F480-L484 VanDerWaalsContact O-CB 3.25Å; F480-L484 WeakPolarHBondContact O-CB 3.4Å; F480-L484 PolarHBondContact O-N 3.34Å; G482-L484 VanDerWaalsContact C-N 3.28Å; G482-L484 PolarHBondContact O-N 3.37Å; L484-A487 PolarHBondContact O-N 3.06Å; L484-T488 HydrophobicContact CD1-CG2 3.72Å; L484-T488 HydrophobicContact CG-CG2 4.23Å; L484-T488 VanDerWaalsContact O-CB 3.31Å; L484-T488 WeakPolarHBondContact O-CB 3.41Å; L484-T488 VanDerWaalsContact O-CG2 3.31Å; L484-T488 WeakPolarHBondContact O-CG2 3.27Å; L484-T488 PolarHBondContact O-N 3.09Å; L484-T488 PolarHBondContact O-OG1 3.37Å; L484-I492 CarbonylContact C-O 3.54Å; L484-I492 HydrophobicContact CD2-CB 4.04Å; L484-I492 HydrophobicContact CD2-CG2 3.63Å; L484-I492 HydrophobicContact CG-CB 4.31Å; L484-I492 HydrophobicContact CG-CG2 4.38Å; L484-L526 HydrophobicContact CB-CD1 3.88Å; L484-L526 HydrophobicContact CD1-CD1 3.78Å; L484-L526 HydrophobicContact CG-CD1 4.39Å; L484-E529 HydrophobicContact CD1-CB 3.84Å; L484-E529 HydrophobicContact CD1-CG 4.44Å; L484-P825 HydrophobicContact CD2-CB 4.04Å
485	G	82.1	Confident	80.4	Confident	9 Å²	9	29.1 Å²	29.1	9%	0.093	16%	0.163	C	C	.	.	H	α-helix	trans	-60.5	-48.3	172.8	0	0	0	0	0	112.8	G481 G482 T488 E489 G490 I492 S493	G481-G485 PolarHBondContact O-N 2.92Å; G482-G485 WeakPolarHBondContact O-CA 3.19Å; G482-G485 PolarHBondContact O-N 2.8Å; G485-T488 PolarHBondContact O-N 3.27Å; G485-E489 PolarHBondContact O-N 3.03Å; G485-G490 PolarHBondContact O-N 3Å; G485-I492 WeakPolarHBondContact CA-O 3.11Å; G485-I492 PolarHBondContact N-O 3.39Å; G485-S493 WeakPolarHBondContact CA-OG 3.11Å
486	E	79.7	Confident	80.9	Confident	157 Å²	157	29 Å²	29	73%	0.734	16%	0.162	S	C	*	.	H	α-helix	trans	-63.6	-44.7	175.2	-69.1	172.9	-176.7	0	0	111.6	G482 T488	G482-E486 PolarHBondContact O-N 3.12Å; E486-T488 VanDerWaalsContact C-N 3.34Å; E486-T488 PolarHBondContact O-N 3.2Å
487	A	80.4	Confident	81.4	Confident	24 Å²	24	28.8 Å²	28.8	20%	0.198	16%	0.161	C	C	.	.	H	α-helix	trans	-70.1	-25.1	-179	0	0	0	0	0	114.5	L483 L484 K530 F533	L483-A487 WeakPolarHBondContact O-CB 3.37Å; L483-A487 PolarHBondContact O-N 3.43Å; L484-A487 PolarHBondContact O-N 3.06Å; A487-K530 HydrophobicContact CB-CB 4.5Å; A487-K530 HydrophobicContact CB-CD 4.28Å; A487-K530 HydrophobicContact CB-CG 4.2Å; A487-F533 WeakPolarHBondContact O-CD1 3.47Å; A487-F533 WeakPolarHBondContact O-CE1 3.27Å
488	T	84.4	Confident	81.6	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	14.2	-176.7	66.8	0	0	0	0	114.1	L484 G485 E486 G490 R491 I492 F533 Y543	L484-T488 HydrophobicContact CD1-CG2 3.72Å; L484-T488 HydrophobicContact CG-CG2 4.23Å; L484-T488 VanDerWaalsContact O-CB 3.31Å; L484-T488 WeakPolarHBondContact O-CB 3.41Å; L484-T488 VanDerWaalsContact O-CG2 3.31Å; L484-T488 WeakPolarHBondContact O-CG2 3.27Å; L484-T488 PolarHBondContact O-N 3.09Å; L484-T488 PolarHBondContact O-OG1 3.37Å; G485-T488 PolarHBondContact O-N 3.27Å; E486-T488 VanDerWaalsContact C-N 3.34Å; E486-T488 PolarHBondContact O-N 3.2Å; T488-G490 VanDerWaalsContact C-N 3.27Å; T488-G490 PolarHBondContact O-N 3.24Å; T488-R491 WeakPolarHBondContact O-CB 3.49Å; T488-R491 VanDerWaalsContact O-CG 3.28Å; T488-R491 WeakPolarHBondContact O-CG 3.47Å; T488-R491 PolarHBondContact O-N 2.81Å; T488-R491 VanDerWaalsContact O-N 3.14Å; T488-I492 PolarHBondContact OG1-N 2.94Å; T488-I492 PolarHBondContact OG1-O 2.95Å; T488-F533 HydrophobicContact CG2-CB 4.29Å; T488-F533 HydrophobicContact CG2-CD2 4.14Å; T488-F533 HydrophobicContact CG2-CG 4.2Å; T488-F533 WeakPolarHBondContact O-CE2 3.39Å; T488-F533 WeakPolarHBondContact O-CZ 3.21Å; T488-Y543 HydrophobicContact CG2-CE1 4.19Å
489	E	83.6	Confident	81.9	Confident	106 Å²	106	31.2 Å²	31.2	50%	0.495	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	42.6	-178.6	-59.6	172.4	171.8	0	0	112.3	G485 R491 F533 K537	G485-E489 PolarHBondContact O-N 3.03Å; E489-R491 VanDerWaalsContact C-N 3.33Å; E489-R491 PolarHBondContact O-N 2.74Å; E489-F533 HydrophobicContact CB-CZ 4.11Å; E489-F533 HydrophobicContact CG-CE1 4.16Å; E489-F533 HydrophobicContact CG-CZ 3.88Å; E489-K537 IonicContact OE1-NZ 2.71Å; E489-K537 PolarHBondContact OE1-NZ 3.43Å
490	G	78.3	Confident	82.6	Confident	19 Å²	19	30.7 Å²	30.7	20%	0.196	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	14.4	179.6	0	0	0	0	0	115.3	G485 T488 T748	G485-G490 PolarHBondContact O-N 3Å; T488-G490 VanDerWaalsContact C-N 3.27Å; T488-G490 PolarHBondContact O-N 3.24Å; G490-T748 WeakPolarHBondContact O-CB 3.49Å; G490-T748 VanDerWaalsContact O-CG2 3.25Å; G490-T748 WeakPolarHBondContact O-CG2 3.5Å
491	R	80.8	Confident	83.1	Confident	69 Å²	69	29.9 Å²	29.9	26%	0.26	16%	0.164	S	C	.	.	S	Bend	trans	-73.2	-29.7	176.9	-69.9	-171.2	-157.8	-168.8	8.4	113.6	T488 E489 Y543 L544 R752	T488-R491 WeakPolarHBondContact O-CB 3.49Å; T488-R491 VanDerWaalsContact O-CG 3.28Å; T488-R491 WeakPolarHBondContact O-CG 3.47Å; T488-R491 PolarHBondContact O-N 2.81Å; T488-R491 VanDerWaalsContact O-N 3.14Å; E489-R491 VanDerWaalsContact C-N 3.33Å; E489-R491 PolarHBondContact O-N 2.74Å; R491-Y543 HydrophobicContact CB-CD1 4.39Å; R491-L544 HydrophobicContact CB-CD1 4.12Å; R491-L544 HydrophobicContact CG-CD1 4.25Å; R491-R752 PolarHBondContact O-NH2 3.4Å
492	I	83.4	Confident	83.6	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-141.9	125.8	170.7	-56.5	177.4	0	0	0	107.2	L484 G485 T488 E496 Y543 P825	L484-I492 CarbonylContact C-O 3.54Å; L484-I492 HydrophobicContact CD2-CB 4.04Å; L484-I492 HydrophobicContact CD2-CG2 3.63Å; L484-I492 HydrophobicContact CG-CB 4.31Å; L484-I492 HydrophobicContact CG-CG2 4.38Å; G485-I492 WeakPolarHBondContact CA-O 3.11Å; G485-I492 PolarHBondContact N-O 3.39Å; T488-I492 PolarHBondContact OG1-N 2.94Å; T488-I492 PolarHBondContact OG1-O 2.95Å; I492-E496 HydrophobicContact CG2-CB 3.96Å; I492-Y543 HydrophobicContact CD1-CE1 3.99Å; I492-Y543 HydrophobicContact CG1-CE1 4.42Å; I492-P825 HydrophobicContact CG2-CG 4.45Å
493	S	82.6	Confident	84.4	Confident	22 Å²	22	31.4 Å²	31.4	15%	0.154	17%	0.166	C	C	.	.			trans	-132	-167.6	-179.9	-62.2	0	0	0	0	112.4	G481 G485 I495 E496 S497 T748	G481-S493 CarbonylContact O-C 3.44Å; G481-S493 WeakPolarHBondContact O-CA 3.26Å; G485-S493 WeakPolarHBondContact CA-OG 3.11Å; S493-I495 PolarHBondContact O-N 2.98Å; S493-I495 VanDerWaalsContact O-N 3.13Å; S493-E496 PolarHBondContact N-OE2 3.04Å; S493-E496 PolarHBondContact O-N 2.65Å; S493-S497 PolarHBondContact O-N 2.9Å; S493-S497 VanDerWaalsContact O-N 3.11Å; S493-S497 PolarHBondContact O-OG 3.46Å; S493-T748 WeakPolarHBondContact CB-OG1 3.35Å
494	A	81.5	Confident	85.1	Confident	17 Å²	17	28.1 Å²	28.1	14%	0.14	15%	0.149	C	C	.	.	H	α-helix	trans	-57.6	-26.1	-173.5	0	0	0	0	0	115.3	G481 L498	G481-A494 PolarHBondContact O-N 2.76Å; A494-L498 VanDerWaalsContact O-CB 3.27Å; A494-L498 WeakPolarHBondContact O-CB 3.22Å; A494-L498 PolarHBondContact O-N 3.14Å
495	I	82.9	Confident	85.6	Confident	22 Å²	22	27.9 Å²	27.9	11%	0.113	15%	0.147	C	C	.	.	H	α-helix	trans	-69	-51.1	176.9	-56.9	175.1	0	0	0	110.2	S493 S497 L498 F499 P742 K744 F745 Q746	S493-I495 PolarHBondContact O-N 2.98Å; S493-I495 VanDerWaalsContact O-N 3.13Å; I495-S497 VanDerWaalsContact C-N 3.26Å; I495-S497 PolarHBondContact O-N 3.11Å; I495-L498 PolarHBondContact O-N 2.96Å; I495-F499 WeakPolarHBondContact O-CB 3.05Å; I495-F499 PolarHBondContact O-N 3Å; I495-P742 HydrophobicContact CD1-CB 3.99Å; I495-P742 HydrophobicContact CD1-CG 3.75Å; I495-P742 HydrophobicContact CG1-CB 4.14Å; I495-P742 HydrophobicContact CG1-CG 3.34Å; I495-K744 WeakPolarHBondContact CD1-O 3.38Å; I495-F745 HydrophobicContact CG2-CD2 4.19Å; I495-F745 HydrophobicContact CG2-CE2 4.4Å; I495-Q746 VanDerWaalsContact CD1-O 3.28Å; I495-Q746 WeakPolarHBondContact CD1-O 3.46Å
496	E	86.7	Confident	86.2	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.9	-34.7	178.5	-63.4	96.9	156.1	0	0	111.4	I492 S493 G500 T748 R752 W754 L824	I492-E496 HydrophobicContact CG2-CB 3.96Å; S493-E496 PolarHBondContact N-OE2 3.04Å; S493-E496 PolarHBondContact O-N 2.65Å; E496-G500 PolarHBondContact O-N 3.45Å; E496-T748 PolarHBondContact OE1-N 3.34Å; E496-T748 PolarHBondContact OE1-OG1 2.83Å; E496-T748 VanDerWaalsContact OE1-OG1 3.05Å; E496-T748 PolarHBondContact OE2-OG1 3.19Å; E496-R752 IonicContact OE1-CZ 3.71Å; E496-R752 IonicContact OE1-NH2 3.62Å; E496-R752 PolarHBondContact OE1-NH2 2.93Å; E496-W754 HydrophobicContact CG-CZ3 4.45Å; E496-L824 HydrophobicContact CB-CD2 4.01Å; E496-L824 HydrophobicContact CG-CD2 4.42Å
497	S	87.5	Confident	86.9	Confident	4 Å²	4	22.7 Å²	22.7	3%	0.028	13%	0.126	C	C	.	.	H	α-helix	trans	-63.5	-47.9	170.7	-58.1	0	0	0	0	112.9	G481 S493 I495 A501 F827	G481-S497 WeakPolarHBondContact CA-OG 3.25Å; S493-S497 PolarHBondContact O-N 2.9Å; S493-S497 VanDerWaalsContact O-N 3.11Å; S493-S497 PolarHBondContact O-OG 3.46Å; I495-S497 VanDerWaalsContact C-N 3.26Å; I495-S497 PolarHBondContact O-N 3.11Å; S497-A501 VanDerWaalsContact O-CB 3.27Å; S497-A501 WeakPolarHBondContact O-CB 3.13Å; S497-A501 PolarHBondContact O-N 3.47Å; S497-F827 VanDerWaalsContact O-CZ 3.24Å; S497-F827 WeakPolarHBondContact O-CZ 3.46Å
498	L	87.4	Confident	87.5	Confident	9 Å²	9	21.5 Å²	21.5	5%	0.047	12%	0.117	C	C	.	.	H	α-helix	trans	-65.4	-44.2	-178.4	-171.3	70.8	0	0	0	111.8	M474 V477 A494 I495 A501 S502 M873 V877	M474-L498 HydrophobicContact CE-CD1 4.02Å; M474-L498 HydrophobicContact CE-CD2 4.5Å; V477-L498 HydrophobicContact CG1-CD1 4.27Å; A494-L498 VanDerWaalsContact O-CB 3.27Å; A494-L498 WeakPolarHBondContact O-CB 3.22Å; A494-L498 PolarHBondContact O-N 3.14Å; I495-L498 PolarHBondContact O-N 2.96Å; L498-A501 PolarHBondContact O-N 3.42Å; L498-S502 PolarHBondContact O-N 3.31Å; L498-M873 HydrophobicContact CD1-CG 3.41Å; L498-M873 VanDerWaalsContact CD1-CG 3.41Å; L498-M873 HydrophobicContact CD1-SD 4.07Å; L498-M873 HydrophobicContact CG-CG 4.39Å; L498-V877 HydrophobicContact CD2-CG2 3.58Å
499	F	88	Confident	87.8	Confident	62 Å²	62	21.6 Å²	21.6	27%	0.272	12%	0.117	S	C	.	.	H	α-helix	trans	-66.2	-45	177.2	-179.5	-111.9	0	0	0	112.1	I495 A501 S502 M503 F745 W754 M822 L824	I495-F499 WeakPolarHBondContact O-CB 3.05Å; I495-F499 PolarHBondContact O-N 3Å; F499-A501 PolarHBondContact O-N 3Å; F499-S502 PolarHBondContact O-N 3.46Å; F499-M503 HydrophobicContact CE1-SD 4.45Å; F499-M503 HydrophobicContact CZ-SD 4.49Å; F499-M503 WeakPolarHBondContact O-CB 3.42Å; F499-M503 PolarHBondContact O-N 2.87Å; F499-F745 HydrophobicContact CB-CE2 4.13Å; F499-F745 HydrophobicContact CB-CZ 4.44Å; F499-F745 AromaticContact CD2-CE2 3.9Å; F499-F745 HydrophobicContact CD2-CE2 3.9Å; F499-F745 AromaticContact CD2-CZ 3.63Å; F499-F745 HydrophobicContact CD2-CZ 3.63Å; F499-F745 HydrophobicContact CE2-CZ 4.01Å; F499-F745 HydrophobicContact CG-CE2 4.15Å; F499-F745 AromaticContact CG-CZ 3.98Å; F499-F745 HydrophobicContact CG-CZ 3.98Å; F499-W754 HydrophobicContact CB-CH2 4.49Å; F499-W754 HydrophobicContact CD1-CE3 4.28Å; F499-W754 HydrophobicContact CD1-CH2 4Å; F499-W754 AromaticContact CD1-CZ3 3.6Å; F499-W754 HydrophobicContact CD1-CZ3 3.6Å; F499-W754 HydrophobicContact CE1-CE3 4.34Å; F499-W754 HydrophobicContact CE1-CZ3 4.08Å; F499-W754 HydrophobicContact CG-CH2 4.3Å; F499-W754 HydrophobicContact CG-CZ3 4.32Å; F499-M822 HydrophobicContact CE1-CE 3.76Å; F499-M822 HydrophobicContact CZ-CE 4.34Å; F499-L824 HydrophobicContact CD1-CD1 3.91Å; F499-L824 HydrophobicContact CD1-CD2 3.99Å; F499-L824 HydrophobicContact CE1-CD1 4.11Å
500	G	89.9	Confident	88.2	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.4	-41.7	175.3	0	0	0	0	0	112.9	E496 T504	E496-G500 PolarHBondContact O-N 3.45Å; G500-T504 WeakPolarHBondContact O-CB 3.22Å; G500-T504 VanDerWaalsContact O-CG2 3.31Å; G500-T504 WeakPolarHBondContact O-CG2 3.22Å; G500-T504 PolarHBondContact O-N 2.91Å; G500-T504 PolarHBondContact O-OG1 2.86Å
501	A	90.6	Very high	88.8	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63	-44.7	176.4	0	0	0	0	0	111.9	V477 S497 L498 F499 T504 G505 F827 F870 M873	V477-A501 HydrophobicContact CG1-CB 3.82Å; V477-A501 HydrophobicContact CG2-CB 3.86Å; S497-A501 VanDerWaalsContact O-CB 3.27Å; S497-A501 WeakPolarHBondContact O-CB 3.13Å; S497-A501 PolarHBondContact O-N 3.47Å; L498-A501 PolarHBondContact O-N 3.42Å; F499-A501 PolarHBondContact O-N 3Å; A501-T504 PolarHBondContact O-OG1 3.23Å; A501-G505 PolarHBondContact O-N 3.36Å; A501-F827 HydrophobicContact CB-CD1 4.18Å; A501-F827 HydrophobicContact CB-CE1 3.54Å; A501-F827 HydrophobicContact CB-CZ 3.75Å; A501-F827 VanDerWaalsContact N-CZ 3.34Å; A501-F870 WeakPolarHBondContact O-CD1 3.4Å; A501-F870 WeakPolarHBondContact O-CE1 3.49Å; A501-M873 HydrophobicContact CB-CE 3.56Å; A501-M873 HydrophobicContact CB-SD 4.42Å
502	S	92.1	Very high	89.2	Confident	16 Å²	16	20.4 Å²	20.4	11%	0.112	11%	0.109	C	C	.	.	H	α-helix	trans	-62	-51.3	176.5	-178.3	0	0	0	0	111.8	L498 F499 G505 V506 F870 G874	L498-S502 PolarHBondContact O-N 3.31Å; F499-S502 PolarHBondContact O-N 3.46Å; S502-G505 PolarHBondContact O-N 3Å; S502-V506 WeakPolarHBondContact O-CB 3.46Å; S502-V506 WeakPolarHBondContact O-CG2 3.26Å; S502-V506 PolarHBondContact O-N 3.01Å; S502-F870 WeakPolarHBondContact CB-O 3.46Å; S502-F870 PolarHBondContact OG-O 3.49Å; S502-G874 VanDerWaalsContact OG-CA 3.28Å; S502-G874 WeakPolarHBondContact OG-CA 3.47Å; S502-G874 PolarHBondContact OG-N 2.87Å
503	M	92.4	Very high	89.3	Confident	46 Å²	46	20.4 Å²	20.4	23%	0.227	11%	0.109	C	C	.	.	H	α-helix	trans	-63.3	-49.8	-177.3	-176.5	-178.5	69.9	0	0	112.4	F499 A507 V818 M822 L824	F499-M503 HydrophobicContact CE1-SD 4.45Å; F499-M503 HydrophobicContact CZ-SD 4.49Å; F499-M503 WeakPolarHBondContact O-CB 3.42Å; F499-M503 PolarHBondContact O-N 2.87Å; M503-A507 WeakPolarHBondContact O-CB 3.21Å; M503-A507 PolarHBondContact O-N 2.84Å; M503-V818 HydrophobicContact CE-CG1 3.7Å; M503-V818 HydrophobicContact SD-CG1 4.28Å; M503-M822 HydrophobicContact CE-SD 3.8Å; M503-M822 HydrophobicContact SD-CE 4.39Å; M503-M822 HydrophobicContact SD-SD 3.87Å; M503-L824 HydrophobicContact CE-CD1 3.51Å
504	T	92.1	Very high	89.6	Confident	3 Å²	3	19.5 Å²	19.5	2%	0.018	10%	0.102	C	C	.	.	H	α-helix	trans	-66	-41.1	-179.8	55.5	0	0	0	0	112	G500 A501 A507 Y508 M815 C819 F827	G500-T504 WeakPolarHBondContact O-CB 3.22Å; G500-T504 VanDerWaalsContact O-CG2 3.31Å; G500-T504 WeakPolarHBondContact O-CG2 3.22Å; G500-T504 PolarHBondContact O-N 2.91Å; G500-T504 PolarHBondContact O-OG1 2.86Å; A501-T504 PolarHBondContact O-OG1 3.23Å; T504-A507 PolarHBondContact O-N 3.08Å; T504-Y508 WeakPolarHBondContact O-CB 3.44Å; T504-Y508 PolarHBondContact O-N 2.8Å; T504-M815 HydrophobicContact CG2-CB 4.03Å; T504-M815 HydrophobicContact CG2-CG 4.48Å; T504-M815 HydrophobicContact CG2-SD 4.5Å; T504-C819 WeakPolarHBondContact CG2-SG 3.45Å; T504-F827 HydrophobicContact CG2-CD2 4.15Å
505	G	92.4	Very high	89.9	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-71.9	-36.6	-178.9	0	0	0	0	0	114.3	A501 S502 S509 F870	A501-G505 PolarHBondContact O-N 3.36Å; S502-G505 PolarHBondContact O-N 3Å; G505-S509 VanDerWaalsContact O-CB 3.3Å; G505-S509 WeakPolarHBondContact O-CB 3.39Å; G505-S509 PolarHBondContact O-N 3.33Å; G505-S509 PolarHBondContact O-OG 2.92Å; G505-F870 VanDerWaalsContact CA-CG 3.43Å; G505-F870 WeakPolarHBondContact O-CD2 3.48Å
506	V	94.1	Very high	90.2	Very high	39 Å²	39	18 Å²	18	24%	0.236	9%	0.093	C	C	.	.	H	α-helix	trans	-61.2	-50.6	171.1	164.3	0	0	0	0	110.1	S502 Y508 S509 L510 L867 F870	S502-V506 WeakPolarHBondContact O-CB 3.46Å; S502-V506 WeakPolarHBondContact O-CG2 3.26Å; S502-V506 PolarHBondContact O-N 3.01Å; V506-Y508 PolarHBondContact O-N 2.96Å; V506-S509 PolarHBondContact O-N 3.29Å; V506-L510 HydrophobicContact CG1-CD1 4.22Å; V506-L510 WeakPolarHBondContact O-CG 3Å; V506-L510 PolarHBondContact O-N 3.24Å; V506-L510 VanDerWaalsContact O-N 3.16Å; V506-L867 HydrophobicContact CG1-CD1 3.93Å; V506-L867 HydrophobicContact CG2-CD1 4.49Å; V506-F870 HydrophobicContact CG2-CB 3.79Å
507	A	93.7	Very high	90.4	Very high	18 Å²	18	18 Å²	18	15%	0.149	9%	0.093	C	C	.	.	H	α-helix	trans	-62.4	-46.1	-179.2	0	0	0	0	0	111.5	M503 T504 L510 F511 M811 M815	M503-A507 WeakPolarHBondContact O-CB 3.21Å; M503-A507 PolarHBondContact O-N 2.84Å; T504-A507 PolarHBondContact O-N 3.08Å; A507-L510 PolarHBondContact O-N 3.47Å; A507-F511 WeakPolarHBondContact O-CD2 3.11Å; A507-F511 PolarHBondContact O-N 3.12Å; A507-F511 VanDerWaalsContact O-N 3.1Å; A507-M811 HydrophobicContact CB-CE 3.52Å; A507-M811 WeakPolarHBondContact O-CE 3.35Å; A507-M815 HydrophobicContact CB-CE 4.08Å; A507-M815 HydrophobicContact CB-CG 4.38Å; A507-M815 HydrophobicContact CB-SD 3.43Å; A507-M815 WeakPolarHBondContact CB-SD 3.35Å
508	Y	93.2	Very high	90.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.9	-46.2	176.5	-173.5	-88.3	0	0	0	111.7	T504 V506 L510 F511 A512 T517 L519 Q785 D808 M811 V812	T504-Y508 WeakPolarHBondContact O-CB 3.44Å; T504-Y508 PolarHBondContact O-N 2.8Å; V506-Y508 PolarHBondContact O-N 2.96Å; Y508-L510 PolarHBondContact O-N 2.84Å; Y508-F511 PolarHBondContact O-N 3.38Å; Y508-A512 HydrophobicContact CD1-CB 3.75Å; Y508-A512 HydrophobicContact CD2-CB 4.13Å; Y508-A512 HydrophobicContact CE1-CB 3.47Å; Y508-A512 VanDerWaalsContact CE1-CB 3.47Å; Y508-A512 HydrophobicContact CE2-CB 3.92Å; Y508-A512 HydrophobicContact CG-CB 4.05Å; Y508-A512 WeakPolarHBondContact O-CA 3.5Å; Y508-A512 WeakPolarHBondContact O-CB 3.42Å; Y508-A512 PolarHBondContact O-N 3.44Å; Y508-T517 HydrophobicContact CE1-CG2 4.38Å; Y508-T517 WeakPolarHBondContact CE1-O 3.47Å; Y508-T517 WeakPolarHBondContact OH-CB 3.15Å; Y508-L519 HydrophobicContact CD1-CD1 4.43Å; Y508-L519 HydrophobicContact CD1-CD2 4.47Å; Y508-L519 HydrophobicContact CD1-CG 4.1Å; Y508-L519 HydrophobicContact CD2-CD1 3.79Å; Y508-L519 HydrophobicContact CD2-CD2 4.06Å; Y508-L519 HydrophobicContact CD2-CG 4.08Å; Y508-L519 HydrophobicContact CE2-CD2 4.11Å; Y508-L519 HydrophobicContact CG-CD1 3.67Å; Y508-L519 HydrophobicContact CG-CD2 4.24Å; Y508-L519 HydrophobicContact CG-CG 3.82Å; Y508-Q785 PolarHBondContact OH-NE2 3.11Å; Y508-D808 HydrophobicContact CE2-CB 4.5Å; Y508-D808 VanDerWaalsContact OH-CG 3.3Å; Y508-D808 PolarHBondContact OH-OD1 2.94Å; Y508-M811 HydrophobicContact CD2-CB 4.3Å; Y508-M811 HydrophobicContact CD2-CG 4.15Å; Y508-V812 HydrophobicContact CD2-CG2 4.12Å; Y508-V812 HydrophobicContact CE2-CG2 3.87Å
509	S	91.7	Very high	90.7	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.014	9%	0.09	C	C	.	.	H	α-helix	trans	-57.8	-35.8	178.2	-57.6	0	0	0	0	112.8	G505 V506 R863 G866 L867	G505-S509 VanDerWaalsContact O-CB 3.3Å; G505-S509 WeakPolarHBondContact O-CB 3.39Å; G505-S509 PolarHBondContact O-N 3.33Å; G505-S509 PolarHBondContact O-OG 2.92Å; V506-S509 PolarHBondContact O-N 3.29Å; S509-R863 PolarHBondContact O-NH1 3.17Å; S509-G866 VanDerWaalsContact OG-C 3.23Å; S509-L867 PolarHBondContact OG-N 3.44Å
510	L	91.1	Very high	90.7	Very high	45 Å²	45	14.9 Å²	14.9	24%	0.236	8%	0.079	C	C	.	.	H	α-helix	trans	-74.3	-39.7	178.3	-70	173.6	0	0	0	113.7	Y450 F454 V506 A507 Y508 R863 L867	Y450-L510 VanDerWaalsContact CE2-O 3.26Å; Y450-L510 WeakPolarHBondContact CE2-O 3.32Å; Y450-L510 PolarHBondContact OH-O 2.91Å; Y450-L510 VanDerWaalsContact OH-O 3.04Å; F454-L510 HydrophobicContact CZ-CD2 4.32Å; V506-L510 HydrophobicContact CG1-CD1 4.22Å; V506-L510 WeakPolarHBondContact O-CG 3Å; V506-L510 PolarHBondContact O-N 3.24Å; V506-L510 VanDerWaalsContact O-N 3.16Å; A507-L510 PolarHBondContact O-N 3.47Å; Y508-L510 PolarHBondContact O-N 2.84Å; L510-R863 PolarHBondContact O-NH1 3.24Å; L510-L867 HydrophobicContact CD1-CD1 4.35Å; L510-L867 HydrophobicContact CD2-CD1 3.94Å; L510-L867 HydrophobicContact CD2-CD2 4.22Å; L510-L867 HydrophobicContact CG-CD1 3.95Å
511	F	91	Very high	90.4	Very high	124 Å²	124	15.8 Å²	15.8	54%	0.544	9%	0.086	S	C	.	.	H	α-helix	trans	-116	-7.6	-167.7	-63.3	-68.7	0	0	0	115.8	A507 Y508 M811	A507-F511 WeakPolarHBondContact O-CD2 3.11Å; A507-F511 PolarHBondContact O-N 3.12Å; A507-F511 VanDerWaalsContact O-N 3.1Å; Y508-F511 PolarHBondContact O-N 3.38Å; F511-M811 HydrophobicContact CB-CE 4.11Å; F511-M811 HydrophobicContact CB-CG 4.35Å; F511-M811 HydrophobicContact CB-SD 3.89Å; F511-M811 HydrophobicContact CD2-CE 3.93Å; F511-M811 HydrophobicContact CG-CE 4.45Å
512	A	89.1	Confident	90	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.			trans	-61.1	151.6	179.4	0	0	0	0	0	112.8	Y508 D808 R863	Y508-A512 HydrophobicContact CD1-CB 3.75Å; Y508-A512 HydrophobicContact CD2-CB 4.13Å; Y508-A512 HydrophobicContact CE1-CB 3.47Å; Y508-A512 VanDerWaalsContact CE1-CB 3.47Å; Y508-A512 HydrophobicContact CE2-CB 3.92Å; Y508-A512 HydrophobicContact CG-CB 4.05Å; Y508-A512 WeakPolarHBondContact O-CA 3.5Å; Y508-A512 WeakPolarHBondContact O-CB 3.42Å; Y508-A512 PolarHBondContact O-N 3.44Å; A512-D808 WeakPolarHBondContact CB-OD1 3.26Å; A512-R863 PolarHBondContact O-NH1 3.23Å; A512-R863 PolarHBondContact O-NH2 3.13Å
513	G	85	Confident	89.4	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-60.4	-60.3	159.1	0	0	0	0	0	109.5	K446 P515 D808	K446-G513 WeakPolarHBondContact CD-O 3.49Å; K446-G513 WeakPolarHBondContact CE-O 3.46Å; K446-G513 PolarHBondContact NZ-O 3.5Å; G513-P515 WeakPolarHBondContact O-CD 3.28Å; G513-D808 WeakPolarHBondContact CA-OD1 3.39Å; G513-D808 PolarHBondContact N-OD1 2.98Å
514	Q	89.2	Confident	88.8	Confident	2 Å²	2	16.9 Å²	16.9	1%	0.009	10%	0.101	C	C	.	.			trans	-105.9	94.4	-178.6	-160.6	62.5	-1.7	0	0	112.9	K446 L516 T517 I792 N793 D808	K446-Q514 VanDerWaalsContact NZ-OE1 3.09Å; Q514-L516 PolarHBondContact O-N 3.37Å; Q514-T517 WeakPolarHBondContact O-CB 3.46Å; Q514-T517 PolarHBondContact O-N 3.08Å; Q514-T517 PolarHBondContact O-OG1 3.27Å; Q514-I792 HydrophobicContact CG-CG2 3.81Å; Q514-N793 VanDerWaalsContact CD-OD1 3.23Å; Q514-N793 WeakPolarHBondContact CG-OD1 3.42Å; Q514-N793 PolarHBondContact NE2-OD1 2.84Å; Q514-D808 WeakPolarHBondContact CB-OD2 3.36Å; Q514-D808 PolarHBondContact N-OD1 3.09Å; Q514-D808 PolarHBondContact N-OD2 3.43Å
515	P	87.1	Confident	88.3	Confident	7 Å²	7	17 Å²	17	5%	0.045	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-6.4	-176.3	33.1	-38.7	0	0	0	114.2	G513 R863	G513-P515 WeakPolarHBondContact O-CD 3.28Å; P515-R863 HydrophobicContact CB-CB 4.43Å; P515-R863 HydrophobicContact CB-CG 3.65Å; P515-R863 HydrophobicContact CG-CG 3.73Å
516	L	89.2	Confident	87.9	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.005	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.7	170.5	-62.4	-178	0	0	0	112.1	Q514 I792 L799 H837 V838 L841 I859 E861	Q514-L516 PolarHBondContact O-N 3.37Å; L516-I792 HydrophobicContact CB-CG2 4.08Å; L516-L799 HydrophobicContact CD1-CD2 4.15Å; L516-H837 PolarHBondContact O-ND1 3.37Å; L516-V838 HydrophobicContact CB-CG2 4.16Å; L516-V838 HydrophobicContact CD1-CG2 4.21Å; L516-L841 HydrophobicContact CD2-CD1 3.57Å; L516-I859 HydrophobicContact CD1-CG2 4.01Å; L516-E861 HydrophobicContact CD1-CG 4.33Å
517	T	91	Very high	87.3	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.006	11%	0.113	C	C	.	.			trans	-73.6	130.6	176.4	-48.3	0	0	0	0	110.9	Y508 Q514 T788 I792 A829	Y508-T517 HydrophobicContact CE1-CG2 4.38Å; Y508-T517 WeakPolarHBondContact CE1-O 3.47Å; Y508-T517 WeakPolarHBondContact OH-CB 3.15Å; Q514-T517 WeakPolarHBondContact O-CB 3.46Å; Q514-T517 PolarHBondContact O-N 3.08Å; Q514-T517 PolarHBondContact O-OG1 3.27Å; T517-T788 HydrophobicContact CG2-CG2 4.11Å; T517-I792 HydrophobicContact CG2-CD1 3.94Å; T517-I792 WeakPolarHBondContact OG1-CD1 3.45Å; T517-A829 HydrophobicContact CG2-CB 3.34Å
518	I	91.3	Very high	86.9	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.005	11%	0.11	C	C	.	.			trans	-107.9	125.2	179.5	-65.9	-177	0	0	0	109.2	L469 A830 L833 S834 H837 I869 F870	L469-I518 HydrophobicContact CD2-CD1 3.27Å; I518-A830 PolarHBondContact O-N 2.92Å; I518-L833 HydrophobicContact CB-CB 4.46Å; I518-L833 HydrophobicContact CG2-CB 4.34Å; I518-S834 PolarHBondContact N-OG 3.23Å; I518-H837 HydrophobicContact CD1-CB 3.79Å; I518-H837 HydrophobicContact CG1-CB 4.46Å; I518-I869 HydrophobicContact CD1-CD1 4.48Å; I518-F870 HydrophobicContact CG2-CE2 4.32Å; I518-F870 HydrophobicContact CG2-CZ 3.73Å
519	L	90.6	Very high	86.6	Confident	4 Å²	4	19.3 Å²	19.3	2%	0.021	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	138.6	173.3	-59.4	-173.2	0	0	0	111.2	Y508 V812 F827 V828 F870	Y508-L519 HydrophobicContact CD1-CD1 4.43Å; Y508-L519 HydrophobicContact CD1-CD2 4.47Å; Y508-L519 HydrophobicContact CD1-CG 4.1Å; Y508-L519 HydrophobicContact CD2-CD1 3.79Å; Y508-L519 HydrophobicContact CD2-CD2 4.06Å; Y508-L519 HydrophobicContact CD2-CG 4.08Å; Y508-L519 HydrophobicContact CE2-CD2 4.11Å; Y508-L519 HydrophobicContact CG-CD1 3.67Å; Y508-L519 HydrophobicContact CG-CD2 4.24Å; Y508-L519 HydrophobicContact CG-CG 3.82Å; L519-V812 HydrophobicContact CD2-CG2 4.11Å; L519-F827 HydrophobicContact CB-CB 4.26Å; L519-V828 CarbonylContact C-O 3.45Å; L519-V828 WeakPolarHBondContact CA-O 3.38Å; L519-F870 WeakPolarHBondContact O-CZ 3.41Å
520	G	88.3	Confident	86.3	Confident	4 Å²	4	25.3 Å²	25.3	4%	0.041	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	168.6	178.9	0	0	0	0	0	111.7	F827 V828	G520-F827 VanDerWaalsContact C-CD1 3.49Å; G520-V828 PolarHBondContact N-O 3.45Å; G520-V828 PolarHBondContact O-N 3.38Å
521	S	83	Confident	86	Confident	19 Å²	19	26.3 Å²	26.3	13%	0.133	14%	0.142	C	C	.	.			trans	-78.8	128.8	168.1	-172.7	0	0	0	0	108.4	F480	F480-S521 WeakPolarHBondContact CD2-O 3.47Å; F480-S521 WeakPolarHBondContact CE2-O 3.21Å
522	T	83.4	Confident	85.9	Confident	19 Å²	19	21 Å²	21	12%	0.117	12%	0.119	C	C	.	.			trans	-105.3	149.2	179.5	71.4	0	0	0	0	111	V525 L526 D784 V828	T522-V525 PolarHBondContact O-N 2.81Å; T522-V525 VanDerWaalsContact O-N 3.15Å; T522-V525 WeakPolarHBondContact OG1-CG2 3.32Å; T522-L526 PolarHBondContact O-N 2.73Å; T522-L526 VanDerWaalsContact O-N 3.11Å; T522-D784 PolarHBondContact OG1-OD2 3.43Å; T522-V828 HydrophobicContact CG2-CB 4.45Å
523	G	79.2	Confident	85.9	Confident	31 Å²	31	21.5 Å²	21.5	32%	0.32	12%	0.121	S	C	.	.	H	α-helix	trans	-53.3	-43.5	178.1	0	0	0	0	0	114.5	V525 L526 V527	G523-V525 VanDerWaalsContact C-N 3.34Å; G523-V525 PolarHBondContact O-N 2.81Å; G523-L526 PolarHBondContact O-N 3Å; G523-V527 WeakPolarHBondContact O-CG2 3.23Å; G523-V527 PolarHBondContact O-N 2.84Å
524	P	78.6	Confident	86	Confident	34 Å²	34	27.6 Å²	27.6	22%	0.221	15%	0.148	C	C	.	.	H	α-helix	trans	-59.5	-39.2	176.2	-27	36.6	0	0	0	113.7	V527 F528 L780 F962	P524-V527 PolarHBondContact O-N 3.4Å; P524-F528 PolarHBondContact O-N 3.25Å; P524-F528 VanDerWaalsContact O-N 3.08Å; P524-L780 HydrophobicContact CB-CD1 3.81Å; P524-L780 HydrophobicContact CB-CD2 4.25Å; P524-L780 HydrophobicContact CB-CG 4.25Å; P524-F962 HydrophobicContact CG-CD1 4.27Å; P524-F962 HydrophobicContact CG-CE1 4.38Å
525	V	83.1	Confident	85.9	Confident	6 Å²	6	31.8 Å²	31.8	4%	0.036	17%	0.166	C	C	.	.	H	α-helix	trans	-64	-46.9	174	175.3	0	0	0	0	110.3	T522 G523 V527 F528 E529 L780 W826 V828	T522-V525 PolarHBondContact O-N 2.81Å; T522-V525 VanDerWaalsContact O-N 3.15Å; T522-V525 WeakPolarHBondContact OG1-CG2 3.32Å; G523-V525 VanDerWaalsContact C-N 3.34Å; G523-V525 PolarHBondContact O-N 2.81Å; V525-V527 VanDerWaalsContact C-N 3.3Å; V525-V527 PolarHBondContact O-N 2.9Å; V525-F528 WeakPolarHBondContact O-CB 3.28Å; V525-F528 PolarHBondContact O-N 3.14Å; V525-F528 VanDerWaalsContact O-N 3.16Å; V525-E529 HydrophobicContact CG1-CG 4.37Å; V525-E529 VanDerWaalsContact O-CG 3.26Å; V525-E529 WeakPolarHBondContact O-CG 3.16Å; V525-E529 PolarHBondContact O-N 3.35Å; V525-L780 HydrophobicContact CG2-CD2 3.75Å; V525-W826 HydrophobicContact CG1-CB 4.28Å; V525-W826 HydrophobicContact CG1-CE3 4.35Å; V525-V828 HydrophobicContact CG2-CG2 4.14Å
526	L	82.7	Confident	85.9	Confident	27 Å²	27	31.6 Å²	31.6	14%	0.141	17%	0.165	C	C	.	.	H	α-helix	trans	-58.2	-39.4	177.2	178	61.6	0	0	0	113	F480 L483 L484 T522 G523 E529 K530	F480-L526 HydrophobicContact CD1-CD2 3.7Å; F480-L526 HydrophobicContact CE1-CD2 4.36Å; L483-L526 HydrophobicContact CB-CD2 4.21Å; L483-L526 HydrophobicContact CD1-CD2 4.46Å; L484-L526 HydrophobicContact CB-CD1 3.88Å; L484-L526 HydrophobicContact CD1-CD1 3.78Å; L484-L526 HydrophobicContact CG-CD1 4.39Å; T522-L526 PolarHBondContact O-N 2.73Å; T522-L526 VanDerWaalsContact O-N 3.11Å; G523-L526 PolarHBondContact O-N 3Å; L526-E529 PolarHBondContact O-N 2.87Å; L526-K530 PolarHBondContact O-N 3.08Å
527	V	82.6	Confident	85.8	Confident	56 Å²	56	36.9 Å²	36.9	34%	0.339	19%	0.188	S	C	.	.	H	α-helix	trans	-65.8	-43.9	176.2	172.6	0	0	0	0	111.2	G523 P524 V525 E529 K530 I531 A959	G523-V527 WeakPolarHBondContact O-CG2 3.23Å; G523-V527 PolarHBondContact O-N 2.84Å; P524-V527 PolarHBondContact O-N 3.4Å; V525-V527 VanDerWaalsContact C-N 3.3Å; V525-V527 PolarHBondContact O-N 2.9Å; V527-E529 VanDerWaalsContact C-N 3.3Å; V527-E529 PolarHBondContact O-N 3.2Å; V527-K530 PolarHBondContact O-N 3.21Å; V527-I531 HydrophobicContact CG1-CD1 3.86Å; V527-I531 WeakPolarHBondContact O-CG1 3.17Å; V527-I531 PolarHBondContact O-N 2.91Å; V527-I531 VanDerWaalsContact O-N 3.14Å; V527-A959 HydrophobicContact CG1-CB 4.39Å
528	F	84.9	Confident	85.7	Confident	19 Å²	19	41.9 Å²	41.9	8%	0.083	21%	0.214	C	C	.	.	H	α-helix	trans	-57.5	-44.2	174.4	178.6	-86.9	0	0	0	111.4	P524 V525 I531 L532 I550 P773 L776 C777 W826	P524-F528 PolarHBondContact O-N 3.25Å; P524-F528 VanDerWaalsContact O-N 3.08Å; V525-F528 WeakPolarHBondContact O-CB 3.28Å; V525-F528 PolarHBondContact O-N 3.14Å; V525-F528 VanDerWaalsContact O-N 3.16Å; F528-I531 PolarHBondContact O-N 2.73Å; F528-L532 HydrophobicContact CE1-CB 4.46Å; F528-L532 HydrophobicContact CE1-CD2 4.1Å; F528-L532 WeakPolarHBondContact O-CB 3.49Å; F528-L532 PolarHBondContact O-N 3.32Å; F528-I550 HydrophobicContact CE1-CG2 4.42Å; F528-I550 HydrophobicContact CZ-CG2 4.21Å; F528-P773 HydrophobicContact CE2-CB 4.27Å; F528-P773 HydrophobicContact CZ-CB 3.96Å; F528-L776 HydrophobicContact CD2-CD2 4.3Å; F528-L776 HydrophobicContact CE2-CD2 4.43Å; F528-C777 HydrophobicContact CE2-CB 4.26Å; F528-C777 HydrophobicContact CZ-CB 4.12Å; F528-W826 AromaticContact CD1-CZ3 3.8Å; F528-W826 HydrophobicContact CD1-CZ3 3.8Å; F528-W826 AromaticContact CE1-CH2 3.93Å; F528-W826 HydrophobicContact CE1-CH2 3.93Å; F528-W826 AromaticContact CE1-CZ3 3.59Å; F528-W826 HydrophobicContact CE1-CZ3 3.59Å
529	E	86.5	Confident	85.5	Confident	3 Å²	3	49.1 Å²	49.1	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-43.9	179.4	-66.1	-71	-168.5	0	0	113.1	L484 V525 L526 V527 I531 L532 F533 Y543 R547	L484-E529 HydrophobicContact CD1-CB 3.84Å; L484-E529 HydrophobicContact CD1-CG 4.44Å; V525-E529 HydrophobicContact CG1-CG 4.37Å; V525-E529 VanDerWaalsContact O-CG 3.26Å; V525-E529 WeakPolarHBondContact O-CG 3.16Å; V525-E529 PolarHBondContact O-N 3.35Å; L526-E529 PolarHBondContact O-N 2.87Å; V527-E529 VanDerWaalsContact C-N 3.3Å; V527-E529 PolarHBondContact O-N 3.2Å; E529-I531 VanDerWaalsContact C-N 3.27Å; E529-I531 PolarHBondContact O-N 3.15Å; E529-L532 PolarHBondContact O-N 3.01Å; E529-F533 WeakPolarHBondContact O-CB 3.46Å; E529-F533 PolarHBondContact O-N 2.96Å; E529-Y543 PolarHBondContact OE2-OH 3.46Å; E529-R547 IonicContact OE1-CZ 2.72Å; E529-R547 IonicContact OE1-NH1 3.15Å; E529-R547 PolarHBondContact OE1-NH1 3.12Å; E529-R547 IonicContact OE1-NH2 3.8Å; E529-R547 PolarHBondContact OE1-NH2 3.27Å; E529-R547 IonicContact OE2-CZ 3.52Å; E529-R547 IonicContact OE2-NH1 3.4Å; E529-R547 PolarHBondContact OE2-NH1 2.88Å
530	K	84.8	Confident	85.2	Confident	128 Å²	128	56.5 Å²	56.5	56%	0.557	28%	0.282	S	S	*	.	H	α-helix	trans	-61	-37.7	176.5	-176.4	170.3	-177	173	0	111.8	A487 L526 V527 K534	A487-K530 HydrophobicContact CB-CB 4.5Å; A487-K530 HydrophobicContact CB-CD 4.28Å; A487-K530 HydrophobicContact CB-CG 4.2Å; L526-K530 PolarHBondContact O-N 3.08Å; V527-K530 PolarHBondContact O-N 3.21Å; K530-K534 WeakPolarHBondContact O-CB 3.43Å; K530-K534 PolarHBondContact O-N 2.82Å
531	I	86.3	Confident	85.1	Confident	66 Å²	66	57.6 Å²	57.6	34%	0.338	29%	0.287	S	S	.	.	H	α-helix	trans	-76.6	-39.9	179.3	-65	173.4	0	0	0	110.9	V527 F528 E529 F533 K534 F535 I960	V527-I531 HydrophobicContact CG1-CD1 3.86Å; V527-I531 WeakPolarHBondContact O-CG1 3.17Å; V527-I531 PolarHBondContact O-N 2.91Å; V527-I531 VanDerWaalsContact O-N 3.14Å; F528-I531 PolarHBondContact O-N 2.73Å; E529-I531 VanDerWaalsContact C-N 3.27Å; E529-I531 PolarHBondContact O-N 3.15Å; I531-F533 VanDerWaalsContact C-N 3.33Å; I531-F533 PolarHBondContact O-N 3.31Å; I531-K534 PolarHBondContact O-N 3.42Å; I531-F535 WeakPolarHBondContact O-CB 3.46Å; I531-F535 PolarHBondContact O-N 3.41Å; I531-I960 HydrophobicContact CD1-CD1 3.57Å; I531-I960 HydrophobicContact CD1-CG1 3.67Å; I531-I960 HydrophobicContact CG2-CD1 4.09Å
532	L	87.4	Confident	85.3	Confident	12 Å²	12	58.2 Å²	58.2	6%	0.063	29%	0.291	C	S	.	.	H	α-helix	trans	-60.4	-42.8	172.1	178.9	61.2	0	0	0	111.3	F528 E529 F535 C536 Y543 L546 R547 I550	F528-L532 HydrophobicContact CE1-CB 4.46Å; F528-L532 HydrophobicContact CE1-CD2 4.1Å; F528-L532 WeakPolarHBondContact O-CB 3.49Å; F528-L532 PolarHBondContact O-N 3.32Å; E529-L532 PolarHBondContact O-N 3.01Å; L532-F535 PolarHBondContact O-N 3.3Å; L532-C536 WeakPolarHBondContact O-CB 3.32Å; L532-C536 PolarHBondContact O-N 3.06Å; L532-C536 PolarHBondContact O-SG 2.89Å; L532-Y543 HydrophobicContact CB-CE2 4.35Å; L532-Y543 HydrophobicContact CD2-CD2 4.4Å; L532-Y543 HydrophobicContact CD2-CE2 3.94Å; L532-Y543 HydrophobicContact CG-CD2 4.1Å; L532-Y543 HydrophobicContact CG-CE2 3.93Å; L532-L546 HydrophobicContact CD1-CD2 3.89Å; L532-L546 HydrophobicContact CD1-CG 4.36Å; L532-R547 HydrophobicContact CD2-CB 4.37Å; L532-I550 HydrophobicContact CD1-CD1 3.45Å; L532-I550 VanDerWaalsContact CD1-CD1 3.45Å; L532-I550 HydrophobicContact CD2-CD1 3.79Å; L532-I550 HydrophobicContact CG-CD1 4.29Å
533	F	89.2	Confident	85.4	Confident	11 Å²	11	57.3 Å²	57.3	5%	0.048	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-46.7	175.2	-179.5	-98.3	0	0	0	111.9	A487 T488 E489 E529 I531 F535 C536 K537 Y543	A487-F533 WeakPolarHBondContact O-CD1 3.47Å; A487-F533 WeakPolarHBondContact O-CE1 3.27Å; T488-F533 HydrophobicContact CG2-CB 4.29Å; T488-F533 HydrophobicContact CG2-CD2 4.14Å; T488-F533 HydrophobicContact CG2-CG 4.2Å; T488-F533 WeakPolarHBondContact O-CE2 3.39Å; T488-F533 WeakPolarHBondContact O-CZ 3.21Å; E489-F533 HydrophobicContact CB-CZ 4.11Å; E489-F533 HydrophobicContact CG-CE1 4.16Å; E489-F533 HydrophobicContact CG-CZ 3.88Å; E529-F533 WeakPolarHBondContact O-CB 3.46Å; E529-F533 PolarHBondContact O-N 2.96Å; I531-F533 VanDerWaalsContact C-N 3.33Å; I531-F533 PolarHBondContact O-N 3.31Å; F533-F535 PolarHBondContact O-N 3.07Å; F533-C536 WeakPolarHBondContact O-CB 3.34Å; F533-C536 PolarHBondContact O-N 3.44Å; F533-K537 PolarHBondContact O-N 3.48Å; F533-Y543 HydrophobicContact CB-CD2 4.15Å; F533-Y543 HydrophobicContact CB-CE2 4.11Å; F533-Y543 AromaticContact CD2-CD1 3.97Å; F533-Y543 HydrophobicContact CD2-CD1 3.97Å; F533-Y543 HydrophobicContact CD2-CD2 4.2Å; F533-Y543 HydrophobicContact CD2-CE1 4.4Å; F533-Y543 AromaticContact CD2-CG 3.88Å; F533-Y543 HydrophobicContact CD2-CG 3.88Å
534	K	87	Confident	85.8	Confident	129 Å²	129	57.3 Å²	57.3	56%	0.561	28%	0.278	S	S	*	.	H	α-helix	trans	-59.2	-47.7	175.7	-175.5	178.5	175.8	-176.5	0	111.5	K530 I531 C536 K537 D538	K530-K534 WeakPolarHBondContact O-CB 3.43Å; K530-K534 PolarHBondContact O-N 2.82Å; I531-K534 PolarHBondContact O-N 3.42Å; K534-C536 VanDerWaalsContact C-N 3.31Å; K534-C536 PolarHBondContact O-N 3.37Å; K534-K537 WeakPolarHBondContact O-CA 3.29Å; K534-K537 WeakPolarHBondContact O-CB 3.28Å; K534-K537 PolarHBondContact O-N 3.21Å; K534-D538 WeakPolarHBondContact CE-OD2 3.31Å; K534-D538 VanDerWaalsContact O-CG 3.26Å; K534-D538 PolarHBondContact O-N 2.95Å
535	F	86.9	Confident	86.3	Confident	90 Å²	90	56.3 Å²	56.3	40%	0.395	27%	0.272	S	S	.	.	H	α-helix	trans	-57.3	-43.1	174.8	179	-91.2	0	0	0	112	I531 L532 F533 K537 D538 Y539 L541 L546	I531-F535 WeakPolarHBondContact O-CB 3.46Å; I531-F535 PolarHBondContact O-N 3.41Å; L532-F535 PolarHBondContact O-N 3.3Å; F533-F535 PolarHBondContact O-N 3.07Å; F535-K537 VanDerWaalsContact C-N 3.27Å; F535-K537 PolarHBondContact O-N 3.5Å; F535-D538 PolarHBondContact O-N 3.16Å; F535-Y539 HydrophobicContact CD1-CD2 4.38Å; F535-Y539 AromaticContact CD2-CD2 3.69Å; F535-Y539 HydrophobicContact CD2-CD2 3.69Å; F535-Y539 AromaticContact CD2-CE2 3.58Å; F535-Y539 HydrophobicContact CD2-CE2 3.58Å; F535-Y539 HydrophobicContact CE1-CD2 4.22Å; F535-Y539 AromaticContact CE2-CD2 3.51Å; F535-Y539 HydrophobicContact CE2-CD2 3.51Å; F535-Y539 AromaticContact CE2-CE2 3.26Å; F535-Y539 HydrophobicContact CE2-CE2 3.26Å; F535-Y539 HydrophobicContact CG-CD2 4.13Å; F535-Y539 HydrophobicContact CG-CE2 4.45Å; F535-Y539 AromaticContact CZ-CD2 3.79Å; F535-Y539 HydrophobicContact CZ-CD2 3.79Å; F535-Y539 AromaticContact CZ-CE2 3.91Å; F535-Y539 HydrophobicContact CZ-CE2 3.91Å; F535-Y539 HydrophobicContact CZ-CG 4.46Å; F535-Y539 WeakPolarHBondContact O-CD2 3.4Å; F535-Y539 PolarHBondContact O-N 3.11Å; F535-Y539 VanDerWaalsContact O-N 3.14Å; F535-L541 HydrophobicContact CE1-CD1 4.15Å; F535-L546 HydrophobicContact CD1-CD2 4.42Å; F535-L546 HydrophobicContact CE1-CD2 4.43Å
536	C	87.7	Confident	86.6	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.02	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-33.5	175.4	-67.6	0	0	0	0	112.9	L532 F533 K534 D540 L541	L532-C536 WeakPolarHBondContact O-CB 3.32Å; L532-C536 PolarHBondContact O-N 3.06Å; L532-C536 PolarHBondContact O-SG 2.89Å; F533-C536 WeakPolarHBondContact O-CB 3.34Å; F533-C536 PolarHBondContact O-N 3.44Å; K534-C536 VanDerWaalsContact C-N 3.31Å; K534-C536 PolarHBondContact O-N 3.37Å; C536-D540 CarbonylContact O-C 3.55Å; C536-D540 WeakPolarHBondContact O-CA 3.34Å; C536-D540 PolarHBondContact O-N 3.22Å; C536-D540 VanDerWaalsContact O-N 3.12Å; C536-L541 HydrophobicContact CB-CB 4.42Å; C536-L541 PolarHBondContact O-N 2.91Å
537	K	88	Confident	86.9	Confident	112 Å²	112	55.2 Å²	55.2	49%	0.487	27%	0.266	S	S	.	.	H	α-helix	trans	-75.1	-39.8	177.1	-169.8	172.9	-178.1	173.7	0	112.3	E489 F533 K534 F535 Y539	E489-K537 IonicContact OE1-NZ 2.71Å; E489-K537 PolarHBondContact OE1-NZ 3.43Å; F533-K537 PolarHBondContact O-N 3.48Å; K534-K537 WeakPolarHBondContact O-CA 3.29Å; K534-K537 WeakPolarHBondContact O-CB 3.28Å; K534-K537 PolarHBondContact O-N 3.21Å; F535-K537 VanDerWaalsContact C-N 3.27Å; F535-K537 PolarHBondContact O-N 3.5Å; K537-Y539 VanDerWaalsContact C-N 3.27Å; K537-Y539 PolarHBondContact O-N 2.92Å
538	D	89.2	Confident	87.3	Confident	105 Å²	105	52.6 Å²	52.6	56%	0.561	25%	0.251	S	S	*	.	H	α-helix	trans	-70	-23.5	179.6	-63.9	-17.5	0	0	0	112.4	K534 F535	K534-D538 WeakPolarHBondContact CE-OD2 3.31Å; K534-D538 VanDerWaalsContact O-CG 3.26Å; K534-D538 PolarHBondContact O-N 2.95Å; F535-D538 PolarHBondContact O-N 3.16Å
539	Y	85.5	Confident	87.6	Confident	154 Å²	154	52.3 Å²	52.3	60%	0.604	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	12.4	179.3	-70.4	-84	0	0	0	114.6	F535 K537 L541	F535-Y539 HydrophobicContact CD1-CD2 4.38Å; F535-Y539 AromaticContact CD2-CD2 3.69Å; F535-Y539 HydrophobicContact CD2-CD2 3.69Å; F535-Y539 AromaticContact CD2-CE2 3.58Å; F535-Y539 HydrophobicContact CD2-CE2 3.58Å; F535-Y539 HydrophobicContact CE1-CD2 4.22Å; F535-Y539 AromaticContact CE2-CD2 3.51Å; F535-Y539 HydrophobicContact CE2-CD2 3.51Å; F535-Y539 AromaticContact CE2-CE2 3.26Å; F535-Y539 HydrophobicContact CE2-CE2 3.26Å; F535-Y539 HydrophobicContact CG-CD2 4.13Å; F535-Y539 HydrophobicContact CG-CE2 4.45Å; F535-Y539 AromaticContact CZ-CD2 3.79Å; F535-Y539 HydrophobicContact CZ-CD2 3.79Å; F535-Y539 AromaticContact CZ-CE2 3.91Å; F535-Y539 HydrophobicContact CZ-CE2 3.91Å; F535-Y539 HydrophobicContact CZ-CG 4.46Å; F535-Y539 WeakPolarHBondContact O-CD2 3.4Å; F535-Y539 PolarHBondContact O-N 3.11Å; F535-Y539 VanDerWaalsContact O-N 3.14Å; K537-Y539 VanDerWaalsContact C-N 3.27Å; K537-Y539 PolarHBondContact O-N 2.92Å; Y539-L541 PolarHBondContact O-N 3.42Å; Y539-L541 VanDerWaalsContact O-N 3.14Å
540	D	84.8	Confident	87.9	Confident	159 Å²	159	52.2 Å²	52.2	85%	0.85	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	32.7	-178	-80.2	-44.2	0	0	0	115.7	C536	C536-D540 CarbonylContact O-C 3.55Å; C536-D540 WeakPolarHBondContact O-CA 3.34Å; C536-D540 PolarHBondContact O-N 3.22Å; C536-D540 VanDerWaalsContact O-N 3.12Å
541	L	85.6	Confident	88.3	Confident	26 Å²	26	46.1 Å²	46.1	14%	0.136	22%	0.224	C	C	.	.			trans	-88.2	147.9	177.8	-63.9	178	0	0	0	112.3	F535 C536 Y539 Y543 L546 T766	F535-L541 HydrophobicContact CE1-CD1 4.15Å; C536-L541 HydrophobicContact CB-CB 4.42Å; C536-L541 PolarHBondContact O-N 2.91Å; Y539-L541 PolarHBondContact O-N 3.42Å; Y539-L541 VanDerWaalsContact O-N 3.14Å; L541-Y543 PolarHBondContact O-N 3.05Å; L541-L546 HydrophobicContact CD1-CD2 4.18Å; L541-T766 HydrophobicContact CD1-CG2 4.24Å; L541-T766 HydrophobicContact CD2-CG2 4.09Å
542	S	87	Confident	88.6	Confident	32 Å²	32	46 Å²	46	22%	0.224	22%	0.223	C	C	.	.			trans	-74.3	103.1	173.7	66.3	0	0	0	0	111	L544 S545 L546 N762	S542-L544 VanDerWaalsContact C-N 3.35Å; S542-L544 PolarHBondContact O-N 2.94Å; S542-S545 PolarHBondContact O-N 3.05Å; S542-S545 WeakPolarHBondContact OG-CB 3.36Å; S542-S545 PolarHBondContact OG-OG 2.98Å; S542-L546 PolarHBondContact O-N 3.49Å; S542-N762 WeakPolarHBondContact CB-OD1 3.4Å; S542-N762 PolarHBondContact N-OD1 3.21Å; S542-N762 PolarHBondContact O-ND2 2.97Å; S542-N762 PolarHBondContact OG-ND2 3Å; S542-N762 PolarHBondContact OG-OD1 3.13Å
543	Y	87.4	Confident	88.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-49.2	-47.3	-178.3	168.4	-113.4	0	0	0	113.7	T488 R491 I492 E529 L532 F533 L541 S545 L546 R547	T488-Y543 HydrophobicContact CG2-CE1 4.19Å; R491-Y543 HydrophobicContact CB-CD1 4.39Å; I492-Y543 HydrophobicContact CD1-CE1 3.99Å; I492-Y543 HydrophobicContact CG1-CE1 4.42Å; E529-Y543 PolarHBondContact OE2-OH 3.46Å; L532-Y543 HydrophobicContact CB-CE2 4.35Å; L532-Y543 HydrophobicContact CD2-CD2 4.4Å; L532-Y543 HydrophobicContact CD2-CE2 3.94Å; L532-Y543 HydrophobicContact CG-CD2 4.1Å; L532-Y543 HydrophobicContact CG-CE2 3.93Å; F533-Y543 HydrophobicContact CB-CD2 4.15Å; F533-Y543 HydrophobicContact CB-CE2 4.11Å; F533-Y543 AromaticContact CD2-CD1 3.97Å; F533-Y543 HydrophobicContact CD2-CD1 3.97Å; F533-Y543 HydrophobicContact CD2-CD2 4.2Å; F533-Y543 HydrophobicContact CD2-CE1 4.4Å; F533-Y543 AromaticContact CD2-CG 3.88Å; F533-Y543 HydrophobicContact CD2-CG 3.88Å; L541-Y543 PolarHBondContact O-N 3.05Å; Y543-S545 PolarHBondContact O-N 3.08Å; Y543-L546 PolarHBondContact O-N 3.31Å; Y543-R547 WeakPolarHBondContact O-CB 3.5Å; Y543-R547 PolarHBondContact O-N 3.5Å; Y543-R547 PolarHBondContact OH-NH1 3.27Å
544	L	87.1	Confident	89.1	Confident	32 Å²	32	49 Å²	49	17%	0.168	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-40.9	-175.7	-75.4	82.9	0	0	0	112.2	R491 S542 A548 I756	R491-L544 HydrophobicContact CB-CD1 4.12Å; R491-L544 HydrophobicContact CG-CD1 4.25Å; S542-L544 VanDerWaalsContact C-N 3.35Å; S542-L544 PolarHBondContact O-N 2.94Å; L544-A548 WeakPolarHBondContact O-CB 3.33Å; L544-A548 PolarHBondContact O-N 2.82Å; L544-I756 HydrophobicContact CB-CD1 4.08Å; L544-I756 HydrophobicContact CB-CG2 4.32Å; L544-I756 HydrophobicContact CD2-CD1 3.81Å; L544-I756 HydrophobicContact CD2-CG1 4.34Å; L544-I756 HydrophobicContact CG-CD1 4.34Å
545	S	88.3	Confident	89.5	Confident	13 Å²	13	43 Å²	43	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-70.6	-41.3	177.4	-57.8	0	0	0	0	111.6	S542 Y543 A548 C549 N757 P758	S542-S545 PolarHBondContact O-N 3.05Å; S542-S545 WeakPolarHBondContact OG-CB 3.36Å; S542-S545 PolarHBondContact OG-OG 2.98Å; Y543-S545 PolarHBondContact O-N 3.08Å; S545-A548 PolarHBondContact O-N 3.46Å; S545-C549 PolarHBondContact O-N 3.23Å; S545-N757 PolarHBondContact OG-O 3.06Å; S545-P758 WeakPolarHBondContact CB-O 3.46Å
546	L	88.9	Confident	89.8	Confident	10 Å²	10	42.7 Å²	42.7	5%	0.052	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-41.9	176	-170.4	63.5	0	0	0	111.6	L532 F535 L541 S542 Y543 A548 C549 I550 A770	L532-L546 HydrophobicContact CD1-CD2 3.89Å; L532-L546 HydrophobicContact CD1-CG 4.36Å; F535-L546 HydrophobicContact CD1-CD2 4.42Å; F535-L546 HydrophobicContact CE1-CD2 4.43Å; L541-L546 HydrophobicContact CD1-CD2 4.18Å; S542-L546 PolarHBondContact O-N 3.49Å; Y543-L546 PolarHBondContact O-N 3.31Å; L546-A548 VanDerWaalsContact C-N 3.35Å; L546-A548 PolarHBondContact O-N 3.42Å; L546-C549 PolarHBondContact O-N 3.45Å; L546-I550 HydrophobicContact CG-CD1 3.99Å; L546-I550 WeakPolarHBondContact O-CG1 3.34Å; L546-I550 PolarHBondContact O-N 2.69Å; L546-A770 HydrophobicContact CD1-CB 4.24Å
547	R	90.4	Very high	90.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-54.7	-48.5	171.1	179.4	-156.3	178.8	70.5	36.8	111.1	E529 L532 Y543 I550 G551 L824 W826	E529-R547 IonicContact OE1-CZ 2.72Å; E529-R547 IonicContact OE1-NH1 3.15Å; E529-R547 PolarHBondContact OE1-NH1 3.12Å; E529-R547 IonicContact OE1-NH2 3.8Å; E529-R547 PolarHBondContact OE1-NH2 3.27Å; E529-R547 IonicContact OE2-CZ 3.52Å; E529-R547 IonicContact OE2-NH1 3.4Å; E529-R547 PolarHBondContact OE2-NH1 2.88Å; L532-R547 HydrophobicContact CD2-CB 4.37Å; Y543-R547 WeakPolarHBondContact O-CB 3.5Å; Y543-R547 PolarHBondContact O-N 3.5Å; Y543-R547 PolarHBondContact OH-NH1 3.27Å; R547-I550 PolarHBondContact O-N 3.39Å; R547-G551 PolarHBondContact O-N 2.79Å; R547-L824 PolarHBondContact NE-O 3.23Å; R547-L824 PolarHBondContact NH2-O 3.03Å; R547-L824 VanDerWaalsContact NH2-O 3.15Å; R547-W826 HydrophobicContact CG-CH2 4.47Å; R547-W826 HydrophobicContact CG-CZ2 3.92Å
548	A	89.9	Confident	90.3	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-44.7	178.7	0	0	0	0	0	112	L544 S545 L546 G551 L552 I756 P758	L544-A548 WeakPolarHBondContact O-CB 3.33Å; L544-A548 PolarHBondContact O-N 2.82Å; S545-A548 PolarHBondContact O-N 3.46Å; L546-A548 VanDerWaalsContact C-N 3.35Å; L546-A548 PolarHBondContact O-N 3.42Å; A548-G551 PolarHBondContact O-N 3.22Å; A548-L552 WeakPolarHBondContact O-CB 3.42Å; A548-L552 VanDerWaalsContact O-CG 3.3Å; A548-L552 WeakPolarHBondContact O-CG 3.45Å; A548-L552 PolarHBondContact O-N 3.39Å; A548-I756 HydrophobicContact CB-CG2 4.35Å; A548-P758 HydrophobicContact CB-CB 4.15Å
549	C	91.7	Very high	90.4	Very high	13 Å²	13	38.1 Å²	38.1	9%	0.088	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-46.8	174.4	-81.6	0	0	0	0	113.2	S545 L546 G551 L552 W553 P758 A770	S545-C549 PolarHBondContact O-N 3.23Å; L546-C549 PolarHBondContact O-N 3.45Å; C549-G551 VanDerWaalsContact C-N 3.34Å; C549-G551 PolarHBondContact O-N 2.96Å; C549-L552 PolarHBondContact O-N 2.96Å; C549-W553 VanDerWaalsContact O-CD1 3.3Å; C549-W553 PolarHBondContact O-N 3.22Å; C549-W553 VanDerWaalsContact O-N 3.08Å; C549-P758 PolarHBondContact SG-O 3.42Å; C549-A770 HydrophobicContact CB-CB 4.21Å
550	I	92.4	Very high	90.7	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-59	-48.2	176.5	-70.4	167.7	0	0	0	109.7	F528 L532 L546 R547 L552 W553 T554 A770 P773 A774 W826	F528-I550 HydrophobicContact CE1-CG2 4.42Å; F528-I550 HydrophobicContact CZ-CG2 4.21Å; L532-I550 HydrophobicContact CD1-CD1 3.45Å; L532-I550 VanDerWaalsContact CD1-CD1 3.45Å; L532-I550 HydrophobicContact CD2-CD1 3.79Å; L532-I550 HydrophobicContact CG-CD1 4.29Å; L546-I550 HydrophobicContact CG-CD1 3.99Å; L546-I550 WeakPolarHBondContact O-CG1 3.34Å; L546-I550 PolarHBondContact O-N 2.69Å; R547-I550 PolarHBondContact O-N 3.39Å; I550-L552 PolarHBondContact O-N 3.4Å; I550-W553 PolarHBondContact O-N 3.18Å; I550-T554 PolarHBondContact O-N 3.49Å; I550-T554 PolarHBondContact O-OG1 2.82Å; I550-A770 HydrophobicContact CG1-CB 3.75Å; I550-P773 HydrophobicContact CD1-CB 3.98Å; I550-P773 HydrophobicContact CD1-CG 4.41Å; I550-P773 HydrophobicContact CG1-CB 4.32Å; I550-A774 HydrophobicContact CG2-CB 4.12Å; I550-A774 WeakPolarHBondContact O-CB 3.14Å; I550-W826 HydrophobicContact CB-CH2 4.47Å; I550-W826 HydrophobicContact CG2-CH2 3.85Å
551	G	92.9	Very high	91	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.5	-38.6	-179.5	0	0	0	0	0	113.9	R547 A548 C549 T554 A555 L816 S820	R547-G551 PolarHBondContact O-N 2.79Å; A548-G551 PolarHBondContact O-N 3.22Å; C549-G551 VanDerWaalsContact C-N 3.34Å; C549-G551 PolarHBondContact O-N 2.96Å; G551-T554 PolarHBondContact O-N 2.76Å; G551-A555 WeakPolarHBondContact O-CB 3.34Å; G551-A555 PolarHBondContact O-N 2.97Å; G551-L816 WeakPolarHBondContact O-CD2 3.37Å; G551-S820 WeakPolarHBondContact CA-OG 3.31Å
552	L	92.4	Very high	91.2	Very high	62 Å²	62	29.5 Å²	29.5	33%	0.325	15%	0.149	S	C	.	.	H	α-helix	trans	-64.7	-40.2	173.9	-72.4	171.3	0	0	0	112.2	A548 C549 I550 L556 P758 A817 I821	A548-L552 WeakPolarHBondContact O-CB 3.42Å; A548-L552 VanDerWaalsContact O-CG 3.3Å; A548-L552 WeakPolarHBondContact O-CG 3.45Å; A548-L552 PolarHBondContact O-N 3.39Å; C549-L552 PolarHBondContact O-N 2.96Å; I550-L552 PolarHBondContact O-N 3.4Å; L552-L556 WeakPolarHBondContact O-CB 3.31Å; L552-L556 PolarHBondContact O-N 3.44Å; L552-P758 HydrophobicContact CD1-CB 3.96Å; L552-P758 HydrophobicContact CD1-CG 4.28Å; L552-A817 HydrophobicContact CD2-CB 4.5Å; L552-I821 HydrophobicContact CD2-CD1 4.22Å; L552-I821 HydrophobicContact CD2-CG1 4.21Å
553	W	94.8	Very high	91.3	Very high	87 Å²	87	28.5 Å²	28.5	33%	0.33	14%	0.142	S	C	.	.	H	α-helix	trans	-65	-43.2	171.9	-83.3	115.1	0	0	0	112.5	C549 I550 A555 L556 L557 A767 A774	C549-W553 VanDerWaalsContact O-CD1 3.3Å; C549-W553 PolarHBondContact O-N 3.22Å; C549-W553 VanDerWaalsContact O-N 3.08Å; I550-W553 PolarHBondContact O-N 3.18Å; W553-A555 VanDerWaalsContact C-N 3.34Å; W553-A555 PolarHBondContact O-N 3.05Å; W553-L556 HydrophobicContact CE3-CD2 4.27Å; W553-L556 HydrophobicContact CZ3-CD1 4.43Å; W553-L556 HydrophobicContact CZ3-CD2 4.23Å; W553-L556 PolarHBondContact O-N 2.9Å; W553-L557 WeakPolarHBondContact O-CG 3.5Å; W553-L557 PolarHBondContact O-N 3.47Å; W553-A767 PolarHBondContact NE1-O 3.13Å; W553-A774 HydrophobicContact CB-CB 3.42Å; W553-A774 VanDerWaalsContact CB-CB 3.42Å; W553-A774 HydrophobicContact CG-CB 4.48Å
554	T	93.5	Very high	91.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-45.3	176.3	-62.6	0	0	0	0	110.8	I550 G551 L557 C558 A774 C777 I781 L816	I550-T554 PolarHBondContact O-N 3.49Å; I550-T554 PolarHBondContact O-OG1 2.82Å; G551-T554 PolarHBondContact O-N 2.76Å; T554-L557 PolarHBondContact O-N 2.89Å; T554-C558 PolarHBondContact O-N 2.94Å; T554-C558 PolarHBondContact O-SG 3.3Å; T554-C558 VanDerWaalsContact O-SG 3.32Å; T554-A774 WeakPolarHBondContact OG1-CA 3.03Å; T554-A774 PolarHBondContact OG1-O 3.21Å; T554-C777 HydrophobicContact CG2-CB 4.41Å; T554-I781 HydrophobicContact CG2-CD1 3.64Å; T554-L816 HydrophobicContact CG2-CD1 3.81Å; T554-L816 HydrophobicContact CG2-CD2 4.06Å
555	A	94.4	Very high	91.1	Very high	3 Å²	3	30 Å²	30	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-45.6	175.4	0	0	0	0	0	111.9	G551 W553 L557 C558 F559 G813 L816 A817	G551-A555 WeakPolarHBondContact O-CB 3.34Å; G551-A555 PolarHBondContact O-N 2.97Å; W553-A555 VanDerWaalsContact C-N 3.34Å; W553-A555 PolarHBondContact O-N 3.05Å; A555-L557 VanDerWaalsContact C-N 3.34Å; A555-L557 PolarHBondContact O-N 3.49Å; A555-C558 WeakPolarHBondContact O-CB 3.41Å; A555-C558 PolarHBondContact O-N 3.07Å; A555-F559 HydrophobicContact CB-CE2 4.4Å; A555-F559 WeakPolarHBondContact O-CD2 3.44Å; A555-F559 PolarHBondContact O-N 2.94Å; A555-G813 WeakPolarHBondContact CB-O 3.36Å; A555-L816 HydrophobicContact CB-CD2 4.15Å; A555-A817 HydrophobicContact CB-CB 3.79Å
556	L	94.1	Very high	90.7	Very high	84 Å²	84	29.9 Å²	29.9	44%	0.44	15%	0.153	S	C	.	.	H	α-helix	trans	-58.2	-44	175.6	-175.4	151.6	0	0	0	111.9	L552 W553 F559 M560	L552-L556 WeakPolarHBondContact O-CB 3.31Å; L552-L556 PolarHBondContact O-N 3.44Å; W553-L556 HydrophobicContact CE3-CD2 4.27Å; W553-L556 HydrophobicContact CZ3-CD1 4.43Å; W553-L556 HydrophobicContact CZ3-CD2 4.23Å; W553-L556 PolarHBondContact O-N 2.9Å; L556-F559 PolarHBondContact O-N 3.25Å; L556-M560 HydrophobicContact CD2-CG 4.28Å; L556-M560 WeakPolarHBondContact O-CG 3.22Å; L556-M560 PolarHBondContact O-N 3.32Å
557	L	93.1	Very high	90	Very high	46 Å²	46	29.4 Å²	29.4	24%	0.241	15%	0.15	C	C	.	.	H	α-helix	trans	-66.5	-38.8	176.2	-67.6	172.5	0	0	0	111.8	W553 T554 A555 M560 L561 L775 T778	W553-L557 WeakPolarHBondContact O-CG 3.5Å; W553-L557 PolarHBondContact O-N 3.47Å; T554-L557 PolarHBondContact O-N 2.89Å; A555-L557 VanDerWaalsContact C-N 3.34Å; A555-L557 PolarHBondContact O-N 3.49Å; L557-M560 PolarHBondContact O-N 3.27Å; L557-L561 WeakPolarHBondContact O-CG 3.29Å; L557-L561 PolarHBondContact O-N 3.42Å; L557-L775 HydrophobicContact CD1-CB 4.34Å; L557-L775 HydrophobicContact CD1-CD1 4.29Å; L557-T778 HydrophobicContact CB-CG2 3.77Å; L557-T778 WeakPolarHBondContact CB-OG1 3.5Å
558	C	92.4	Very high	89.1	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-59.5	-44.1	171	-71.1	0	0	0	0	112.2	T554 A555 M560 L561 V562	T554-C558 PolarHBondContact O-N 2.94Å; T554-C558 PolarHBondContact O-SG 3.3Å; T554-C558 VanDerWaalsContact O-SG 3.32Å; A555-C558 WeakPolarHBondContact O-CB 3.41Å; A555-C558 PolarHBondContact O-N 3.07Å; C558-M560 VanDerWaalsContact C-N 3.32Å; C558-M560 PolarHBondContact O-N 2.91Å; C558-L561 PolarHBondContact O-N 3.27Å; C558-V562 WeakPolarHBondContact O-CG2 3.36Å; C558-V562 PolarHBondContact O-N 3.16Å
559	F	92.1	Very high	88.3	Confident	77 Å²	77	35.1 Å²	35.1	34%	0.338	18%	0.182	S	C	.	.	H	α-helix	trans	-60.6	-40.4	174.3	-72.4	-66.6	0	0	0	111.9	A555 L556 V562 A563 L810 V814	A555-F559 HydrophobicContact CB-CE2 4.4Å; A555-F559 WeakPolarHBondContact O-CD2 3.44Å; A555-F559 PolarHBondContact O-N 2.94Å; L556-F559 PolarHBondContact O-N 3.25Å; F559-V562 PolarHBondContact O-N 3.18Å; F559-A563 WeakPolarHBondContact O-CB 3.44Å; F559-A563 PolarHBondContact O-N 3.23Å; F559-L810 HydrophobicContact CD1-CD1 3.49Å; F559-L810 VanDerWaalsContact CD1-CD1 3.49Å; F559-L810 HydrophobicContact CE1-CD1 3.5Å; F559-L810 HydrophobicContact CE1-CG 4.45Å; F559-V814 HydrophobicContact CE1-CG2 3.8Å; F559-V814 HydrophobicContact CZ-CG2 3.63Å
560	M	92.2	Very high	87.4	Confident	109 Å²	109	34.8 Å²	34.8	54%	0.537	18%	0.18	S	C	.	.	H	α-helix	trans	-65.8	-37.5	176	-69.3	-62.9	-68.4	0	0	112.7	L556 L557 C558 A563 T564	L556-M560 HydrophobicContact CD2-CG 4.28Å; L556-M560 WeakPolarHBondContact O-CG 3.22Å; L556-M560 PolarHBondContact O-N 3.32Å; L557-M560 PolarHBondContact O-N 3.27Å; C558-M560 VanDerWaalsContact C-N 3.32Å; C558-M560 PolarHBondContact O-N 2.91Å; M560-A563 PolarHBondContact O-N 3.04Å; M560-T564 WeakPolarHBondContact O-CB 3.26Å; M560-T564 WeakPolarHBondContact O-CG2 3.49Å; M560-T564 PolarHBondContact O-N 3.31Å; M560-T564 PolarHBondContact O-OG1 2.99Å
561	L	90.1	Very high	86.3	Confident	49 Å²	49	35.9 Å²	35.9	26%	0.257	19%	0.187	S	C	.	.	H	α-helix	trans	-65	-40.9	173.5	-70.1	175	0	0	0	112	L557 C558 T564 A566 T778 F782 L809	L557-L561 WeakPolarHBondContact O-CG 3.29Å; L557-L561 PolarHBondContact O-N 3.42Å; C558-L561 PolarHBondContact O-N 3.27Å; L561-T564 PolarHBondContact O-OG1 3.29Å; L561-A566 HydrophobicContact CB-CB 3.99Å; L561-A566 HydrophobicContact CD2-CB 3.69Å; L561-A566 HydrophobicContact CG-CB 4.44Å; L561-A566 VanDerWaalsContact O-CB 3.23Å; L561-A566 WeakPolarHBondContact O-CB 3.48Å; L561-A566 PolarHBondContact O-N 3.2Å; L561-T778 HydrophobicContact CD1-CG2 3.69Å; L561-F782 HydrophobicContact CD1-CB 4.49Å; L561-F782 HydrophobicContact CD1-CD2 3.96Å; L561-F782 HydrophobicContact CD1-CG 4.37Å; L561-L809 HydrophobicContact CB-CD2 4.27Å
562	V	90.2	Very high	85.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-42.8	173.8	174.4	0	0	0	0	111.3	F436 L439 C558 F559 T564 D565 H806 L809 L810	F436-V562 HydrophobicContact CD1-CG1 4.4Å; L439-V562 HydrophobicContact CB-CG1 4.34Å; L439-V562 HydrophobicContact CD2-CG1 4.33Å; C558-V562 WeakPolarHBondContact O-CG2 3.36Å; C558-V562 PolarHBondContact O-N 3.16Å; F559-V562 PolarHBondContact O-N 3.18Å; V562-T564 VanDerWaalsContact C-N 3.28Å; V562-T564 PolarHBondContact O-N 3.04Å; V562-D565 PolarHBondContact O-N 2.93Å; V562-H806 HydrophobicContact CG1-CB 4.38Å; V562-L809 HydrophobicContact CG2-CB 4.01Å; V562-L809 HydrophobicContact CG2-CD2 3.77Å; V562-L809 HydrophobicContact CG2-CG 3.8Å; V562-L810 HydrophobicContact CG1-CB 4.4Å; V562-L810 HydrophobicContact CG1-CD1 4.21Å; V562-L810 HydrophobicContact CG2-CB 4.21Å
563	A	88.9	Confident	84.6	Confident	10 Å²	10	39.6 Å²	39.6	8%	0.083	20%	0.2	C	C	.	.	H	α-helix	trans	-67.1	-26.4	-179	0	0	0	0	0	113.6	L435 F436 F559 M560	L435-A563 WeakPolarHBondContact CA-O 3.34Å; L435-A563 WeakPolarHBondContact CD2-O 3.5Å; F436-A563 HydrophobicContact CD1-CB 4.42Å; F436-A563 HydrophobicContact CD2-CB 4.47Å; F436-A563 HydrophobicContact CE1-CB 3.97Å; F436-A563 HydrophobicContact CE2-CB 4.02Å; F436-A563 HydrophobicContact CZ-CB 3.75Å; F436-A563 PolarHBondContact N-O 2.71Å; F559-A563 WeakPolarHBondContact O-CB 3.44Å; F559-A563 PolarHBondContact O-N 3.23Å; M560-A563 PolarHBondContact O-N 3.04Å
564	T	87.9	Confident	83.8	Confident	58 Å²	58	37.5 Å²	37.5	36%	0.356	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	8.9	-178.1	51.7	0	0	0	0	114.5	M560 L561 V562 A566	M560-T564 WeakPolarHBondContact O-CB 3.26Å; M560-T564 WeakPolarHBondContact O-CG2 3.49Å; M560-T564 PolarHBondContact O-N 3.31Å; M560-T564 PolarHBondContact O-OG1 2.99Å; L561-T564 PolarHBondContact O-OG1 3.29Å; V562-T564 VanDerWaalsContact C-N 3.28Å; V562-T564 PolarHBondContact O-N 3.04Å; T564-A566 PolarHBondContact O-N 3.49Å
565	D	82.6	Confident	83.1	Confident	5 Å²	5	38.4 Å²	38.4	3%	0.027	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	35.3	-171.7	-71.7	-9.2	0	0	0	112.6	R431 T432 G438 V562 S567 S568	R431-D565 HydrophobicContact CG-CB 4.16Å; T432-D565 WeakPolarHBondContact CB-OD2 3.32Å; T432-D565 PolarHBondContact N-OD2 3.28Å; T432-D565 PolarHBondContact OG1-OD2 2.98Å; G438-D565 PolarHBondContact N-OD1 3.1Å; V562-D565 PolarHBondContact O-N 2.93Å; D565-S567 PolarHBondContact O-N 3.3Å; D565-S567 VanDerWaalsContact O-N 3.08Å; D565-S568 PolarHBondContact O-N 3Å; D565-S568 PolarHBondContact O-OG 3.16Å
566	A	79.7	Confident	82.6	Confident	11 Å²	11	38.3 Å²	38.3	9%	0.091	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-64.1	-16.8	-174.8	0	0	0	0	0	113.9	L561 T564 S568 L569	L561-A566 HydrophobicContact CB-CB 3.99Å; L561-A566 HydrophobicContact CD2-CB 3.69Å; L561-A566 HydrophobicContact CG-CB 4.44Å; L561-A566 VanDerWaalsContact O-CB 3.23Å; L561-A566 WeakPolarHBondContact O-CB 3.48Å; L561-A566 PolarHBondContact O-N 3.2Å; T564-A566 PolarHBondContact O-N 3.49Å; A566-S568 PolarHBondContact O-N 3.35Å; A566-S568 VanDerWaalsContact O-N 3.13Å; A566-L569 VanDerWaalsContact O-CB 3.32Å; A566-L569 WeakPolarHBondContact O-CB 3.45Å; A566-L569 WeakPolarHBondContact O-CG 3.28Å; A566-L569 PolarHBondContact O-N 3.27Å
567	S	74.6	Confident	82	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-62.9	-12.7	172.5	-29	0	0	0	0	112.9	D565 L569 V570 H806	D565-S567 PolarHBondContact O-N 3.3Å; D565-S567 VanDerWaalsContact O-N 3.08Å; S567-L569 PolarHBondContact O-N 2.93Å; S567-V570 WeakPolarHBondContact O-CB 3.03Å; S567-V570 WeakPolarHBondContact O-CG2 3.37Å; S567-V570 PolarHBondContact O-N 3.33Å; S567-V570 VanDerWaalsContact O-N 3.11Å; S567-H806 WeakPolarHBondContact CB-NE2 3.21Å; S567-H806 PolarHBondContact OG-CD2 2.98Å; S567-H806 PolarHBondContact OG-NE2 2.93Å; S567-H806 VanDerWaalsContact OG-NE2 3.07Å
568	S	70.3	Confident	81.3	Confident	27 Å²	27	33.1 Å²	33.1	19%	0.189	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-63.1	-20.3	169.5	78.2	0	0	0	0	112.8	L429 D565 A566 V570 C571	L429-S568 WeakPolarHBondContact O-CB 3.26Å; D565-S568 PolarHBondContact O-N 3Å; D565-S568 PolarHBondContact O-OG 3.16Å; A566-S568 PolarHBondContact O-N 3.35Å; A566-S568 VanDerWaalsContact O-N 3.13Å; S568-V570 PolarHBondContact O-N 2.91Å; S568-C571 VanDerWaalsContact O-CB 3.28Å; S568-C571 WeakPolarHBondContact O-CB 3.43Å; S568-C571 PolarHBondContact O-N 3.22Å; S568-C571 PolarHBondContact O-SG 3.1Å
569	L	73.3	Confident	80.9	Confident	94 Å²	94	33.3 Å²	33.3	49%	0.492	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-63.4	-22	173.5	-70.7	167	0	0	0	112.8	A566 S567 C571 Y572	A566-L569 VanDerWaalsContact O-CB 3.32Å; A566-L569 WeakPolarHBondContact O-CB 3.45Å; A566-L569 WeakPolarHBondContact O-CG 3.28Å; A566-L569 PolarHBondContact O-N 3.27Å; S567-L569 PolarHBondContact O-N 2.93Å; L569-C571 PolarHBondContact O-N 2.77Å; L569-Y572 HydrophobicContact CD2-CD2 4.19Å; L569-Y572 HydrophobicContact CD2-CE2 4.23Å; L569-Y572 PolarHBondContact O-N 3.25Å
570	V	74.1	Confident	80.6	Confident	7 Å²	7	29.7 Å²	29.7	4%	0.042	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-62.7	-24.3	178.1	-178.8	0	0	0	0	111.6	L429 S567 S568 Y572 I573 Q786 V790	L429-V570 HydrophobicContact CD2-CB 4.16Å; S567-V570 WeakPolarHBondContact O-CB 3.03Å; S567-V570 WeakPolarHBondContact O-CG2 3.37Å; S567-V570 PolarHBondContact O-N 3.33Å; S567-V570 VanDerWaalsContact O-N 3.11Å; S568-V570 PolarHBondContact O-N 2.91Å; V570-Y572 PolarHBondContact O-N 3.33Å; V570-I573 HydrophobicContact CG1-CD1 4.4Å; V570-I573 WeakPolarHBondContact O-CB 3.47Å; V570-I573 PolarHBondContact O-N 2.8Å; V570-Q786 HydrophobicContact CG2-CB 3.69Å; V570-Q786 HydrophobicContact CG2-CG 3.76Å; V570-V790 HydrophobicContact CG1-CG2 3.17Å
571	C	69.3	Low	80.1	Confident	23 Å²	23	24.6 Å²	24.6	16%	0.155	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-54	-31.5	170.1	-72.2	0	0	0	0	114.2	H425 L429 S568 L569 I573	H425-C571 PolarHBondContact CE1-O 3.44Å; H425-C571 PolarHBondContact ND1-SG 3.28Å; L429-C571 WeakPolarHBondContact CB-SG 3.45Å; S568-C571 VanDerWaalsContact O-CB 3.28Å; S568-C571 WeakPolarHBondContact O-CB 3.43Å; S568-C571 PolarHBondContact O-N 3.22Å; S568-C571 PolarHBondContact O-SG 3.1Å; L569-C571 PolarHBondContact O-N 2.77Å; C571-I573 VanDerWaalsContact C-N 3.31Å
572	Y	73.4	Confident	79.7	Confident	114 Å²	114	22.6 Å²	22.6	45%	0.447	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-81.9	-8.9	-179.1	-59.9	-57.4	0	0	0	113.5	L569 V570 T574 V970	L569-Y572 HydrophobicContact CD2-CD2 4.19Å; L569-Y572 HydrophobicContact CD2-CE2 4.23Å; L569-Y572 PolarHBondContact O-N 3.25Å; V570-Y572 PolarHBondContact O-N 3.33Å; Y572-T574 PolarHBondContact O-N 3.47Å; Y572-V970 VanDerWaalsContact O-CG1 3.31Å; Y572-V970 WeakPolarHBondContact O-CG1 3.33Å
573	I	75.9	Confident	79.5	Confident	27 Å²	27	22.7 Å²	22.7	14%	0.138	12%	0.123	C	C	.	.			trans	-79.2	98	174.8	-56.6	179.7	0	0	0	107.9	V570 C571 T577 I787	V570-I573 HydrophobicContact CG1-CD1 4.4Å; V570-I573 WeakPolarHBondContact O-CB 3.47Å; V570-I573 PolarHBondContact O-N 2.8Å; C571-I573 VanDerWaalsContact C-N 3.31Å; I573-T577 WeakPolarHBondContact CG2-OG1 3.42Å; I573-I787 HydrophobicContact CD1-CG1 3.99Å
574	T	77.8	Confident	79.4	Confident	43 Å²	43	22.2 Å²	22.2	26%	0.264	12%	0.119	S	C	.	.			trans	-83.9	163.1	175.6	87.2	0	0	0	0	111.6	Y572 F576 T577 E578 R973 D989	Y572-T574 PolarHBondContact O-N 3.47Å; T574-F576 PolarHBondContact O-N 3.49Å; T574-F576 VanDerWaalsContact O-N 3.09Å; T574-F576 PolarHBondContact OG1-N 2.69Å; T574-T577 PolarHBondContact N-OG1 3.08Å; T574-T577 PolarHBondContact O-N 2.9Å; T574-T577 PolarHBondContact O-OG1 2.71Å; T574-E578 PolarHBondContact O-N 3.2Å; T574-E578 VanDerWaalsContact O-N 3.08Å; T574-R973 HydrophobicContact CG2-CG 4.35Å; T574-D989 VanDerWaalsContact CB-OD2 3.27Å; T574-D989 WeakPolarHBondContact CB-OD2 3.43Å; T574-D989 PolarHBondContact OG1-OD2 3.18Å
575	R	77.8	Confident	79.2	Confident	18 Å²	18	20.7 Å²	20.7	7%	0.068	11%	0.108	C	C	.	.	H	α-helix	trans	-49	-35.9	176.6	-173.5	-178.1	-175.4	130.6	20.1	113.7	T577 E578 E579 E796 Q907 D989 L991	R575-T577 VanDerWaalsContact C-N 3.34Å; R575-T577 PolarHBondContact O-N 3.25Å; R575-E578 PolarHBondContact O-N 3.25Å; R575-E579 HydrophobicContact CG-CG 3.98Å; R575-E579 IonicContact CZ-OE1 3.32Å; R575-E579 IonicContact NE-OE1 2.89Å; R575-E579 PolarHBondContact NE-OE1 3.49Å; R575-E579 IonicContact NH2-OE1 3.64Å; R575-E579 PolarHBondContact NH2-OE1 2.94Å; R575-E579 WeakPolarHBondContact O-CB 3.17Å; R575-E579 WeakPolarHBondContact O-CG 2.87Å; R575-E579 PolarHBondContact O-N 2.64Å; R575-E796 IonicContact CZ-OE1 2.64Å; R575-E796 IonicContact NH1-OE1 3.89Å; R575-E796 PolarHBondContact NH1-OE1 3.19Å; R575-E796 IonicContact NH2-OE1 2.73Å; R575-E796 PolarHBondContact NH2-OE1 3.46Å; R575-Q907 VanDerWaalsContact CZ-OE1 3.29Å; R575-Q907 VanDerWaalsContact NH2-CG 3.27Å; R575-D989 WeakPolarHBondContact CB-O 3.41Å; R575-D989 WeakPolarHBondContact CD-O 3.46Å; R575-L991 VanDerWaalsContact NH1-CG 3.26Å
576	F	83.9	Confident	79.3	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-55.4	-48.3	175.1	173.8	-96.6	0	0	0	112.2	T574 A580 F939 Q943 R973 L976	T574-F576 PolarHBondContact O-N 3.49Å; T574-F576 VanDerWaalsContact O-N 3.09Å; T574-F576 PolarHBondContact OG1-N 2.69Å; F576-A580 WeakPolarHBondContact O-CB 2.87Å; F576-A580 PolarHBondContact O-N 2.93Å; F576-A580 VanDerWaalsContact O-N 3.09Å; F576-F939 HydrophobicContact CB-CZ 4.27Å; F576-F939 AromaticContact CD2-CE1 3.71Å; F576-F939 HydrophobicContact CD2-CE1 3.71Å; F576-F939 HydrophobicContact CD2-CE2 4.11Å; F576-F939 AromaticContact CD2-CZ 3.42Å; F576-F939 HydrophobicContact CD2-CZ 3.42Å; F576-F939 VanDerWaalsContact CD2-CZ 3.42Å; F576-F939 HydrophobicContact CE2-CE1 4.24Å; F576-F939 HydrophobicContact CE2-CZ 4.15Å; F576-F939 HydrophobicContact CG-CZ 4.27Å; F576-Q943 HydrophobicContact CD2-CB 4.15Å; F576-Q943 HydrophobicContact CD2-CG 3.82Å; F576-Q943 HydrophobicContact CE2-CB 3.48Å; F576-Q943 VanDerWaalsContact CE2-CB 3.48Å; F576-Q943 HydrophobicContact CE2-CG 3.54Å; F576-Q943 HydrophobicContact CZ-CB 4.1Å; F576-Q943 HydrophobicContact CZ-CG 4.08Å; F576-Q943 PolarHBondContact O-NE2 3.33Å; F576-R973 HydrophobicContact CB-CG 4.22Å; F576-R973 HydrophobicContact CD1-CB 3.84Å; F576-R973 HydrophobicContact CD1-CG 4Å; F576-R973 HydrophobicContact CE1-CB 4.21Å; F576-R973 HydrophobicContact CG-CG 4.33Å; F576-L976 HydrophobicContact CE2-CD1 4.08Å; F576-L976 HydrophobicContact CZ-CD1 3.98Å
577	T	81.6	Confident	79.6	Confident	4 Å²	4	23.1 Å²	23.1	3%	0.025	12%	0.119	C	C	.	.	H	α-helix	trans	-73.2	-39.2	-179	61.5	0	0	0	0	111.7	I573 T574 R575 F581 L969 V970 R973	I573-T577 WeakPolarHBondContact CG2-OG1 3.42Å; T574-T577 PolarHBondContact N-OG1 3.08Å; T574-T577 PolarHBondContact O-N 2.9Å; T574-T577 PolarHBondContact O-OG1 2.71Å; R575-T577 VanDerWaalsContact C-N 3.34Å; R575-T577 PolarHBondContact O-N 3.25Å; T577-F581 WeakPolarHBondContact O-CB 3.4Å; T577-F581 PolarHBondContact O-N 3.15Å; T577-L969 HydrophobicContact CG2-CB 3.87Å; T577-V970 HydrophobicContact CG2-CG2 3.98Å; T577-R973 HydrophobicContact CG2-CB 4.32Å
578	E	79.2	Confident	80.1	Confident	16 Å²	16	23.9 Å²	23.9	8%	0.075	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-53.1	175.8	-171.4	-155.3	136	0	0	111.8	T574 R575 F581 A582 V790 I791 R794	T574-E578 PolarHBondContact O-N 3.2Å; T574-E578 VanDerWaalsContact O-N 3.08Å; R575-E578 PolarHBondContact O-N 3.25Å; E578-F581 PolarHBondContact O-N 3.18Å; E578-A582 WeakPolarHBondContact O-CB 3.38Å; E578-A582 PolarHBondContact O-N 2.95Å; E578-V790 HydrophobicContact CG-CG1 4.38Å; E578-I791 HydrophobicContact CG-CD1 4.29Å; E578-I791 HydrophobicContact CG-CG1 3.44Å; E578-I791 VanDerWaalsContact CG-CG1 3.44Å; E578-R794 WeakPolarHBondContact OE1-CD 3.11Å; E578-R794 IonicContact OE1-CZ 3.68Å; E578-R794 IonicContact OE1-NE 2.72Å; E578-R794 PolarHBondContact OE1-NE 2.95Å
579	E	83.9	Confident	80.6	Confident	5 Å²	5	24.3 Å²	24.3	2%	0.023	12%	0.122	C	C	.	.	H	α-helix	trans	-69.9	-33.8	-179.1	-72.3	-165.6	170.7	0	0	112.6	R575 A583 R794 I906 Q907 F908	R575-E579 HydrophobicContact CG-CG 3.98Å; R575-E579 IonicContact CZ-OE1 3.32Å; R575-E579 IonicContact NE-OE1 2.89Å; R575-E579 PolarHBondContact NE-OE1 3.49Å; R575-E579 IonicContact NH2-OE1 3.64Å; R575-E579 PolarHBondContact NH2-OE1 2.94Å; R575-E579 WeakPolarHBondContact O-CB 3.17Å; R575-E579 WeakPolarHBondContact O-CG 2.87Å; R575-E579 PolarHBondContact O-N 2.64Å; E579-A583 WeakPolarHBondContact O-CB 3.3Å; E579-A583 PolarHBondContact O-N 3.13Å; E579-R794 IonicContact OE1-NH2 2.69Å; E579-I906 HydrophobicContact CB-CG2 3.8Å; E579-I906 HydrophobicContact CG-CG2 3.95Å; E579-Q907 WeakPolarHBondContact OE1-CB 3.19Å; E579-Q907 PolarHBondContact OE1-N 2.98Å; E579-Q907 WeakPolarHBondContact OE2-CB 3.23Å; E579-Q907 PolarHBondContact OE2-N 2.99Å; E579-F908 HydrophobicContact CB-CB 4.27Å; E579-F908 PolarHBondContact OE2-N 3.4Å
580	A	84.9	Confident	81.4	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-63.8	-44	172.5	0	0	0	0	0	111.2	F576 L584 Q943 L947	F576-A580 WeakPolarHBondContact O-CB 2.87Å; F576-A580 PolarHBondContact O-N 2.93Å; F576-A580 VanDerWaalsContact O-N 3.09Å; A580-L584 WeakPolarHBondContact O-CB 3.36Å; A580-L584 PolarHBondContact O-N 3.02Å; A580-Q943 HydrophobicContact CB-CG 4.17Å; A580-L947 VanDerWaalsContact O-CD1 3.23Å; A580-L947 WeakPolarHBondContact O-CD1 3.28Å
581	F	82.8	Confident	82.1	Confident	3 Å²	3	26 Å²	26	1%	0.013	12%	0.124	C	C	.	.	H	α-helix	trans	-66.3	-46.1	176.7	-172.5	-96.9	0	0	0	111.9	T577 E578 A583 L584 I585 I787 T831 F962 V966	T577-F581 WeakPolarHBondContact O-CB 3.4Å; T577-F581 PolarHBondContact O-N 3.15Å; E578-F581 PolarHBondContact O-N 3.18Å; F581-A583 PolarHBondContact O-N 3.45Å; F581-L584 WeakPolarHBondContact O-CB 3.45Å; F581-L584 PolarHBondContact O-N 3.34Å; F581-L584 VanDerWaalsContact O-N 3.17Å; F581-I585 HydrophobicContact CD1-CG1 4.17Å; F581-I585 HydrophobicContact CE1-CD1 4.34Å; F581-I585 HydrophobicContact CE1-CG1 3.9Å; F581-I585 HydrophobicContact CE2-CD1 4.49Å; F581-I585 HydrophobicContact CZ-CD1 4.12Å; F581-I585 HydrophobicContact CZ-CG1 4.18Å; F581-I585 WeakPolarHBondContact O-CG1 3.23Å; F581-I585 PolarHBondContact O-N 3.32Å; F581-I787 HydrophobicContact CB-CG2 4.37Å; F581-I787 HydrophobicContact CD1-CB 4.38Å; F581-I787 HydrophobicContact CD1-CD1 4.39Å; F581-I787 HydrophobicContact CD1-CG2 3.47Å; F581-I787 VanDerWaalsContact CD1-CG2 3.47Å; F581-I787 HydrophobicContact CD2-CD1 4.25Å; F581-I787 HydrophobicContact CE1-CB 4.4Å; F581-I787 HydrophobicContact CE1-CD1 4.41Å; F581-I787 HydrophobicContact CE1-CG2 3.91Å; F581-I787 HydrophobicContact CE2-CD1 4.28Å; F581-I787 HydrophobicContact CG-CD1 4.29Å; F581-I787 HydrophobicContact CG-CG2 4.06Å; F581-I787 HydrophobicContact CZ-CD1 4.36Å; F581-T831 HydrophobicContact CE1-CG2 4.07Å; F581-F962 HydrophobicContact CD2-CZ 4.26Å; F581-F962 AromaticContact CE2-CE1 3.74Å; F581-F962 HydrophobicContact CE2-CE1 3.74Å; F581-F962 AromaticContact CE2-CZ 3.7Å; F581-F962 HydrophobicContact CE2-CZ 3.7Å; F581-F962 HydrophobicContact CZ-CE1 4.44Å; F581-V966 HydrophobicContact CD2-CG1 4.32Å; F581-V966 HydrophobicContact CD2-CG2 3.94Å; F581-V966 HydrophobicContact CE2-CG2 4.07Å
582	A	82.1	Confident	82.6	Confident	7 Å²	7	26.5 Å²	26.5	6%	0.058	12%	0.124	C	C	.	.	H	α-helix	trans	-59.4	-44.6	176.7	0	0	0	0	0	111.8	E578 L584 I585 C586 I791 I906	E578-A582 WeakPolarHBondContact O-CB 3.38Å; E578-A582 PolarHBondContact O-N 2.95Å; A582-L584 PolarHBondContact O-N 3.14Å; A582-I585 PolarHBondContact O-N 3.44Å; A582-C586 PolarHBondContact O-N 3.18Å; A582-C586 PolarHBondContact O-SG 2.84Å; A582-I791 HydrophobicContact CB-CD1 4.22Å; A582-I906 HydrophobicContact CB-CD1 3.92Å
583	A	86.1	Confident	83.2	Confident	2 Å²	2	21.1 Å²	21.1	2%	0.017	10%	0.103	C	C	.	.	H	α-helix	trans	-62.8	-40.9	175.1	0	0	0	0	0	112	E579 F581 C586 L587 I906 F908	E579-A583 WeakPolarHBondContact O-CB 3.3Å; E579-A583 PolarHBondContact O-N 3.13Å; F581-A583 PolarHBondContact O-N 3.45Å; A583-C586 PolarHBondContact O-N 2.99Å; A583-L587 WeakPolarHBondContact O-CG 3.46Å; A583-L587 PolarHBondContact O-N 3.12Å; A583-I906 HydrophobicContact CB-CD1 4.42Å; A583-F908 HydrophobicContact CB-CD1 3.81Å; A583-F908 HydrophobicContact CB-CE1 4.14Å
584	L	85.8	Confident	83.8	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60	-50.1	177	-173.5	66.7	0	0	0	111.7	A580 F581 A582 C586 L587 I588 L947 L950 W951 F962	A580-L584 WeakPolarHBondContact O-CB 3.36Å; A580-L584 PolarHBondContact O-N 3.02Å; F581-L584 WeakPolarHBondContact O-CB 3.45Å; F581-L584 PolarHBondContact O-N 3.34Å; F581-L584 VanDerWaalsContact O-N 3.17Å; A582-L584 PolarHBondContact O-N 3.14Å; L584-C586 VanDerWaalsContact C-N 3.33Å; L584-C586 PolarHBondContact O-N 3.39Å; L584-L587 PolarHBondContact O-N 3.5Å; L584-I588 HydrophobicContact CD1-CD1 4.41Å; L584-I588 HydrophobicContact CD2-CD1 4.48Å; L584-I588 HydrophobicContact CG-CD1 3.91Å; L584-I588 VanDerWaalsContact O-CG1 3.28Å; L584-I588 WeakPolarHBondContact O-CG1 3.33Å; L584-I588 PolarHBondContact O-N 3.28Å; L584-L947 HydrophobicContact CB-CD1 3.63Å; L584-L947 HydrophobicContact CD1-CD1 3.95Å; L584-L947 HydrophobicContact CD1-CG 4.5Å; L584-L947 HydrophobicContact CG-CD1 4.35Å; L584-L950 HydrophobicContact CD1-CB 4.26Å; L584-L950 HydrophobicContact CD2-CB 3.7Å; L584-L950 HydrophobicContact CD2-CD1 4.03Å; L584-L950 HydrophobicContact CD2-CG 4.39Å; L584-W951 HydrophobicContact CD1-CB 4.4Å; L584-W951 HydrophobicContact CD1-CE3 3.87Å; L584-F962 HydrophobicContact CD2-CE2 3.57Å; L584-F962 HydrophobicContact CD2-CZ 3.8Å
585	I	84.1	Confident	84.2	Confident	25 Å²	25	25.1 Å²	25.1	13%	0.128	12%	0.119	C	C	.	.	H	α-helix	trans	-64.3	-39.6	179.6	-56.1	-62.5	0	0	0	110.6	F581 A582 L587 I588 F589 V832	F581-I585 HydrophobicContact CD1-CG1 4.17Å; F581-I585 HydrophobicContact CE1-CD1 4.34Å; F581-I585 HydrophobicContact CE1-CG1 3.9Å; F581-I585 HydrophobicContact CE2-CD1 4.49Å; F581-I585 HydrophobicContact CZ-CD1 4.12Å; F581-I585 HydrophobicContact CZ-CG1 4.18Å; F581-I585 WeakPolarHBondContact O-CG1 3.23Å; F581-I585 PolarHBondContact O-N 3.32Å; A582-I585 PolarHBondContact O-N 3.44Å; I585-L587 PolarHBondContact O-N 2.97Å; I585-I588 HydrophobicContact CD1-CD1 4.34Å; I585-I588 PolarHBondContact O-N 3.44Å; I585-F589 HydrophobicContact CG2-CD2 3.82Å; I585-F589 HydrophobicContact CG2-CE2 3.87Å; I585-F589 WeakPolarHBondContact O-CD2 3.39Å; I585-F589 PolarHBondContact O-N 3Å; I585-V832 HydrophobicContact CG2-CG2 3.79Å
586	C	84.7	Confident	84.4	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.007	12%	0.123	C	C	.	.	H	α-helix	trans	-61.5	-43	175.7	-65.7	0	0	0	0	112.5	A582 A583 L584 F589 I590 S902 L903	A582-C586 PolarHBondContact O-N 3.18Å; A582-C586 PolarHBondContact O-SG 2.84Å; A583-C586 PolarHBondContact O-N 2.99Å; L584-C586 VanDerWaalsContact C-N 3.33Å; L584-C586 PolarHBondContact O-N 3.39Å; C586-F589 PolarHBondContact O-N 3.26Å; C586-I590 WeakPolarHBondContact O-CG1 3.47Å; C586-I590 PolarHBondContact O-N 3.5Å; C586-I590 VanDerWaalsContact O-N 3.08Å; C586-S902 WeakPolarHBondContact SG-CB 3.2Å; C586-L903 HydrophobicContact CB-CD2 3.66Å; C586-L903 HydrophobicContact CB-CG 3.91Å
587	L	86.7	Confident	84.5	Confident	66 Å²	66	26.6 Å²	26.6	35%	0.346	13%	0.127	S	C	.	.	H	α-helix	trans	-65.7	-37.4	174.9	-70.7	171	0	0	0	112.1	A583 L584 I585 I590 Y591 L947 W951	A583-L587 WeakPolarHBondContact O-CG 3.46Å; A583-L587 PolarHBondContact O-N 3.12Å; L584-L587 PolarHBondContact O-N 3.5Å; I585-L587 PolarHBondContact O-N 2.97Å; L587-I590 PolarHBondContact O-N 2.8Å; L587-Y591 WeakPolarHBondContact O-CB 3.41Å; L587-Y591 PolarHBondContact O-N 3.25Å; L587-L947 HydrophobicContact CD1-CD2 3.88Å; L587-W951 HydrophobicContact CB-CE3 4.49Å; L587-W951 HydrophobicContact CB-CZ3 3.79Å
588	I	84.3	Confident	84.8	Confident	17 Å²	17	33.8 Å²	33.8	9%	0.087	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-45.7	175.1	-73	166.7	0	0	0	110.4	L584 I585 Y591 E592 W951 K954	L584-I588 HydrophobicContact CD1-CD1 4.41Å; L584-I588 HydrophobicContact CD2-CD1 4.48Å; L584-I588 HydrophobicContact CG-CD1 3.91Å; L584-I588 VanDerWaalsContact O-CG1 3.28Å; L584-I588 WeakPolarHBondContact O-CG1 3.33Å; L584-I588 PolarHBondContact O-N 3.28Å; I585-I588 HydrophobicContact CD1-CD1 4.34Å; I585-I588 PolarHBondContact O-N 3.44Å; I588-Y591 PolarHBondContact O-N 3.07Å; I588-E592 WeakPolarHBondContact O-CB 3.27Å; I588-E592 PolarHBondContact O-N 3.43Å; I588-W951 HydrophobicContact CB-CZ3 4.37Å; I588-W951 HydrophobicContact CG1-CE3 4.18Å; I588-W951 HydrophobicContact CG1-CH2 4.21Å; I588-W951 HydrophobicContact CG1-CZ3 3.57Å; I588-K954 HydrophobicContact CD1-CD 3.89Å; I588-K954 HydrophobicContact CD1-CG 4.05Å; I588-K954 HydrophobicContact CG1-CD 4.09Å
589	F	82.1	Confident	85	Confident	36 Å²	36	38.5 Å²	38.5	16%	0.158	18%	0.18	C	C	.	.	H	α-helix	trans	-63.2	-40.8	177.6	-94.5	-104.9	0	0	0	112.8	I585 C586 A593 V832	I585-F589 HydrophobicContact CG2-CD2 3.82Å; I585-F589 HydrophobicContact CG2-CE2 3.87Å; I585-F589 WeakPolarHBondContact O-CD2 3.39Å; I585-F589 PolarHBondContact O-N 3Å; C586-F589 PolarHBondContact O-N 3.26Å; F589-A593 WeakPolarHBondContact O-CB 2.96Å; F589-A593 PolarHBondContact O-N 3.12Å; F589-V832 HydrophobicContact CD2-CG2 4.1Å; F589-V832 HydrophobicContact CE2-CB 4.49Å; F589-V832 HydrophobicContact CE2-CG2 4.21Å; F589-V832 HydrophobicContact CG-CG2 4.47Å; F589-V832 HydrophobicContact CZ-CB 4.49Å
590	I	88.9	Confident	84.9	Confident	33 Å²	33	38.5 Å²	38.5	17%	0.169	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-45.7	176.1	-70	166.4	0	0	0	110.6	C586 L587 L594 L896 L903	C586-I590 WeakPolarHBondContact O-CG1 3.47Å; C586-I590 PolarHBondContact O-N 3.5Å; C586-I590 VanDerWaalsContact O-N 3.08Å; L587-I590 PolarHBondContact O-N 2.8Å; I590-L594 HydrophobicContact CG2-CD1 4.27Å; I590-L594 WeakPolarHBondContact O-CG 3.29Å; I590-L594 PolarHBondContact O-N 3.42Å; I590-L896 HydrophobicContact CB-CD1 4.41Å; I590-L896 HydrophobicContact CG1-CD1 4.31Å; I590-L896 HydrophobicContact CG2-CD1 3.89Å; I590-L903 HydrophobicContact CD1-CD1 3.58Å; I590-L903 HydrophobicContact CD1-CG 4.49Å
591	Y	88.3	Confident	84.7	Confident	103 Å²	103	39.3 Å²	39.3	40%	0.404	19%	0.189	S	C	.	.	H	α-helix	trans	-63.1	-47.9	177.4	175.9	-93.5	0	0	0	112.1	L587 I588 A593 L594 E595 W951	L587-Y591 WeakPolarHBondContact O-CB 3.41Å; L587-Y591 PolarHBondContact O-N 3.25Å; I588-Y591 PolarHBondContact O-N 3.07Å; Y591-A593 VanDerWaalsContact C-N 3.3Å; Y591-A593 PolarHBondContact O-N 3.03Å; Y591-L594 CarbonylContact O-C 3.59Å; Y591-L594 PolarHBondContact O-N 3.4Å; Y591-L594 VanDerWaalsContact O-N 3.09Å; Y591-E595 HydrophobicContact CE1-CB 4.34Å; Y591-E595 VanDerWaalsContact CE1-OE2 3.27Å; Y591-E595 WeakPolarHBondContact CE1-OE2 3.05Å; Y591-E595 WeakPolarHBondContact O-CB 3.36Å; Y591-E595 PolarHBondContact O-N 3.01Å; Y591-W951 HydrophobicContact CD1-CH2 4.34Å; Y591-W951 HydrophobicContact CD1-CZ2 4.2Å; Y591-W951 HydrophobicContact CD2-CH2 4.36Å; Y591-W951 AromaticContact CD2-CZ2 3.92Å; Y591-W951 HydrophobicContact CD2-CZ2 3.92Å; Y591-W951 HydrophobicContact CE2-CZ2 4.46Å; Y591-W951 AromaticContact CG-CH2 3.85Å; Y591-W951 HydrophobicContact CG-CH2 3.85Å; Y591-W951 AromaticContact CG-CZ2 3.77Å; Y591-W951 HydrophobicContact CG-CZ2 3.77Å
592	E	81.3	Confident	84.6	Confident	33 Å²	33	46.5 Å²	46.5	15%	0.154	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-34.8	-178.9	-170.7	-177.9	149	0	0	112.1	I588 K596	I588-E592 WeakPolarHBondContact O-CB 3.27Å; I588-E592 PolarHBondContact O-N 3.43Å; E592-K596 HydrophobicContact CG-CD 4.24Å; E592-K596 WeakPolarHBondContact O-CB 3.12Å; E592-K596 VanDerWaalsContact O-CG 3.31Å; E592-K596 WeakPolarHBondContact O-CG 3.47Å; E592-K596 PolarHBondContact O-N 3.47Å; E592-K596 WeakPolarHBondContact OE1-CE 3.2Å; E592-K596 IonicContact OE1-NZ 3.45Å; E592-K596 PolarHBondContact OE1-NZ 2.98Å
593	A	84.7	Confident	84.3	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-36.9	173.6	0	0	0	0	0	112.5	F589 Y591 L597 F686 F895 L896	F589-A593 WeakPolarHBondContact O-CB 2.96Å; F589-A593 PolarHBondContact O-N 3.12Å; Y591-A593 VanDerWaalsContact C-N 3.3Å; Y591-A593 PolarHBondContact O-N 3.03Å; A593-L597 PolarHBondContact O-N 2.74Å; A593-F686 HydrophobicContact CB-CE2 4.48Å; A593-F895 HydrophobicContact CB-CB 4.11Å; A593-L896 HydrophobicContact CB-CB 4.31Å
594	L	89.8	Confident	84	Confident	58 Å²	58	52.9 Å²	52.9	30%	0.304	25%	0.251	S	S	.	.	H	α-helix	trans	-76.2	-42.2	175.8	-67.2	170.9	0	0	0	111.9	I590 Y591 K596 L597 F598 F686	I590-L594 HydrophobicContact CG2-CD1 4.27Å; I590-L594 WeakPolarHBondContact O-CG 3.29Å; I590-L594 PolarHBondContact O-N 3.42Å; Y591-L594 CarbonylContact O-C 3.59Å; Y591-L594 PolarHBondContact O-N 3.4Å; Y591-L594 VanDerWaalsContact O-N 3.09Å; L594-K596 VanDerWaalsContact C-N 3.33Å; L594-K596 PolarHBondContact O-N 2.97Å; L594-L597 WeakPolarHBondContact O-CA 3.48Å; L594-L597 WeakPolarHBondContact O-CB 3.22Å; L594-L597 PolarHBondContact O-N 2.76Å; L594-F598 WeakPolarHBondContact O-CD2 3.06Å; L594-F598 PolarHBondContact O-N 2.69Å; L594-F686 HydrophobicContact CD2-CE1 4.24Å; L594-F686 HydrophobicContact CD2-CZ 4.11Å
595	E	86.1	Confident	83.5	Confident	96 Å²	96	55.6 Å²	55.6	45%	0.449	27%	0.269	S	S	.	.	H	α-helix	trans	-57.5	-44.7	176.2	-176	179.4	-161.3	0	0	111.2	Y591 L597 F598 H599	Y591-E595 HydrophobicContact CE1-CB 4.34Å; Y591-E595 VanDerWaalsContact CE1-OE2 3.27Å; Y591-E595 WeakPolarHBondContact CE1-OE2 3.05Å; Y591-E595 WeakPolarHBondContact O-CB 3.36Å; Y591-E595 PolarHBondContact O-N 3.01Å; E595-L597 VanDerWaalsContact C-N 3.28Å; E595-L597 PolarHBondContact O-N 3.46Å; E595-F598 PolarHBondContact O-N 2.92Å; E595-H599 WeakPolarHBondContact O-CB 2.97Å; E595-H599 PolarHBondContact O-N 3.17Å
596	K	81.6	Confident	83	Confident	32 Å²	32	60.5 Å²	60.5	14%	0.139	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-27.7	174.6	-74	172.1	175.3	170.4	0	113.5	E592 L594 L600 Y892	E592-K596 HydrophobicContact CG-CD 4.24Å; E592-K596 WeakPolarHBondContact O-CB 3.12Å; E592-K596 VanDerWaalsContact O-CG 3.31Å; E592-K596 WeakPolarHBondContact O-CG 3.47Å; E592-K596 PolarHBondContact O-N 3.47Å; E592-K596 WeakPolarHBondContact OE1-CE 3.2Å; E592-K596 IonicContact OE1-NZ 3.45Å; E592-K596 PolarHBondContact OE1-NZ 2.98Å; L594-K596 VanDerWaalsContact C-N 3.33Å; L594-K596 PolarHBondContact O-N 2.97Å; K596-L600 PolarHBondContact O-N 3.13Å; K596-Y892 HydrophobicContact CB-CD2 4.05Å; K596-Y892 HydrophobicContact CB-CE1 4.33Å; K596-Y892 HydrophobicContact CB-CE2 3.75Å; K596-Y892 HydrophobicContact CB-CG 4.46Å; K596-Y892 HydrophobicContact CD-CD1 4.32Å; K596-Y892 HydrophobicContact CD-CE1 3.83Å
597	L	85.8	Confident	82.2	Confident	19 Å²	19	63.7 Å²	63.7	10%	0.099	31%	0.307	C	S	.	.	H	α-helix	trans	-74.5	-40	172.2	-174.9	68.3	0	0	0	111.6	A593 L594 E595 L600 G601 I683 F686 F687	A593-L597 PolarHBondContact O-N 2.74Å; L594-L597 WeakPolarHBondContact O-CA 3.48Å; L594-L597 WeakPolarHBondContact O-CB 3.22Å; L594-L597 PolarHBondContact O-N 2.76Å; E595-L597 VanDerWaalsContact C-N 3.28Å; E595-L597 PolarHBondContact O-N 3.46Å; L597-L600 WeakPolarHBondContact O-CB 3.44Å; L597-L600 PolarHBondContact O-N 2.75Å; L597-G601 PolarHBondContact O-N 3Å; L597-I683 HydrophobicContact CD1-CG1 4.13Å; L597-F686 HydrophobicContact CD1-CB 4.22Å; L597-F686 HydrophobicContact CD1-CD2 4.47Å; L597-F686 HydrophobicContact CD1-CG 4.22Å; L597-F686 HydrophobicContact CD2-CD1 3.65Å; L597-F686 HydrophobicContact CD2-CD2 4.46Å; L597-F686 HydrophobicContact CD2-CE1 3.78Å; L597-F686 HydrophobicContact CD2-CG 4.02Å; L597-F686 HydrophobicContact CD2-CZ 4.24Å; L597-F687 HydrophobicContact CD2-CE2 4.39Å
598	F	87.5	Confident	81.2	Confident	156 Å²	156	63.9 Å²	63.9	68%	0.684	32%	0.318	S	S	*	.	H	α-helix	trans	-64.8	-45.1	174.2	-77.8	-68.6	0	0	0	112.1	L594 E595 L600 G601 E602	L594-F598 WeakPolarHBondContact O-CD2 3.06Å; L594-F598 PolarHBondContact O-N 2.69Å; E595-F598 PolarHBondContact O-N 2.92Å; F598-L600 PolarHBondContact O-N 3.3Å; F598-G601 WeakPolarHBondContact O-CA 3.47Å; F598-G601 PolarHBondContact O-N 2.79Å; F598-E602 PolarHBondContact O-N 2.78Å
599	H	83.1	Confident	80.1	Confident	114 Å²	114	69.3 Å²	69.3	53%	0.528	35%	0.347	S	S	.	.	H	α-helix	trans	-59.8	-31.1	174.1	-173.7	-64.7	0	0	0	112.2	E595 G601 E602 L603	E595-H599 WeakPolarHBondContact O-CB 2.97Å; E595-H599 PolarHBondContact O-N 3.17Å; H599-G601 VanDerWaalsContact C-N 3.32Å; H599-E602 PolarHBondContact O-N 3.45Å; H599-L603 WeakPolarHBondContact O-CB 3.45Å; H599-L603 PolarHBondContact O-N 3.07Å
600	L	81.6	Confident	78.8	Confident	5 Å²	5	72.6 Å²	72.6	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-68.5	-32.6	172.8	-168.8	67.9	0	0	0	112.1	K596 L597 F598 L603 Y604 S682 Q737 P889	K596-L600 PolarHBondContact O-N 3.13Å; L597-L600 WeakPolarHBondContact O-CB 3.44Å; L597-L600 PolarHBondContact O-N 2.75Å; F598-L600 PolarHBondContact O-N 3.3Å; L600-L603 PolarHBondContact O-N 3.31Å; L600-Y604 HydrophobicContact CD1-CD2 3.59Å; L600-Y604 HydrophobicContact CD1-CE2 3.61Å; L600-Y604 HydrophobicContact CG-CD2 4.1Å; L600-Y604 PolarHBondContact O-N 3.17Å; L600-S682 VanDerWaalsContact CD2-CB 3.49Å; L600-Q737 HydrophobicContact CD1-CB 4.29Å; L600-P889 HydrophobicContact CD2-CG 3.86Å
601	G	80.5	Confident	77.4	Confident	19 Å²	19	76.8 Å²	76.8	20%	0.196	39%	0.393	C	S	.	.	H	α-helix	trans	-69.6	-30.5	171.6	0	0	0	0	0	114.3	L597 F598 H599 Y604 P605	L597-G601 PolarHBondContact O-N 3Å; F598-G601 WeakPolarHBondContact O-CA 3.47Å; F598-G601 PolarHBondContact O-N 2.79Å; H599-G601 VanDerWaalsContact C-N 3.32Å; G601-Y604 CarbonylContact O-C 3.47Å; G601-P605 WeakPolarHBondContact O-CA 3.24Å
602	E	81.8	Confident	76	Confident	153 Å²	153	78.9 Å²	78.9	72%	0.715	41%	0.41	S	S	*	.	H	α-helix	trans	-74	-35.5	170.6	-65	-176.4	168.9	0	0	112.1	F598 H599	F598-E602 PolarHBondContact O-N 2.78Å; H599-E602 PolarHBondContact O-N 3.45Å
603	L	76	Confident	75	Confident	91 Å²	91	85 Å²	85	48%	0.476	44%	0.444	S	S	.	.	H	α-helix	trans	-72.2	-33.4	177.7	-147.5	100.9	0	0	0	112.9	H599 L600 P605	H599-L603 WeakPolarHBondContact O-CB 3.45Å; H599-L603 PolarHBondContact O-N 3.07Å; L600-L603 PolarHBondContact O-N 3.31Å; L603-P605 VanDerWaalsContact C-CD 3.49Å; L603-P605 WeakPolarHBondContact O-CD 3.49Å
604	Y	78.8	Confident	73.8	Confident	52 Å²	52	90.2 Å²	90.2	20%	0.204	47%	0.467	C	S	.	.	S	Bend	trans	-124.2	70.5	179.2	-61.9	-72.8	0	0	0	110.5	L600 G601 T675 V678	L600-Y604 HydrophobicContact CD1-CD2 3.59Å; L600-Y604 HydrophobicContact CD1-CE2 3.61Å; L600-Y604 HydrophobicContact CG-CD2 4.1Å; L600-Y604 PolarHBondContact O-N 3.17Å; G601-Y604 CarbonylContact O-C 3.47Å; Y604-T675 WeakPolarHBondContact CD1-OG1 3.49Å; Y604-V678 HydrophobicContact CD1-CB 4.43Å; Y604-V678 HydrophobicContact CD1-CG1 4.07Å; Y604-V678 HydrophobicContact CD2-CG1 4.11Å; Y604-V678 HydrophobicContact CE1-CG1 4.25Å; Y604-V678 HydrophobicContact CE2-CG1 4.29Å; Y604-V678 HydrophobicContact CG-CB 4.49Å; Y604-V678 HydrophobicContact CG-CG1 3.99Å
605	P	75.6	Confident	72.2	Confident	57 Å²	57	93.7 Å²	93.7	37%	0.37	49%	0.485	S	S	.	.			trans	-63.6	140.5	-178.1	26.3	-34.2	0	0	0	111.3	G601 L603 F674	G601-P605 WeakPolarHBondContact O-CA 3.24Å; L603-P605 VanDerWaalsContact C-CD 3.49Å; L603-P605 WeakPolarHBondContact O-CD 3.49Å; P605-F674 HydrophobicContact CB-CE1 4.13Å; P605-F674 HydrophobicContact CG-CD1 4.12Å; P605-F674 HydrophobicContact CG-CE1 3.81Å; P605-F674 VanDerWaalsContact O-CD1 3.32Å; P605-F674 WeakPolarHBondContact O-CD1 3.37Å
606	F	73.7	Confident	70.8	Confident	129 Å²	129	95.7 Å²	95.7	57%	0.566	50%	0.504	S	S	*	.			trans	-79	144.8	173.5	71.7	-86.2	0	0	0	110.7	A608 L679 F680	F606-A608 HydrophobicContact CD2-CB 4.48Å; F606-A608 HydrophobicContact CE2-CB 3.95Å; F606-A608 PolarHBondContact O-N 2.74Å; F606-L679 HydrophobicContact CB-CD2 4.49Å; F606-L679 HydrophobicContact CD1-CD2 4.36Å; F606-F680 HydrophobicContact CB-CE2 4.45Å; F606-F680 HydrophobicContact CB-CZ 4.44Å
607	N	69	Low	69.7	Low	68 Å²	68	99.3 Å²	99.3	36%	0.364	52%	0.524	S	S	.	.			trans	-79.2	110.9	173.9	-179.4	19.8	0	0	0	110.1	N609 F674	N607-N609 VanDerWaalsContact C-N 3.34Å; N607-N609 PolarHBondContact ND2-O 2.91Å; N607-N609 WeakPolarHBondContact OD1-CB 3.46Å; N607-N609 PolarHBondContact OD1-N 3.49Å; N607-F674 HydrophobicContact CB-CD2 4.44Å
608	A	65.1	Low	68.6	Low	69 Å²	69	100.8 Å²	100.8	57%	0.57	54%	0.539	S	S	*	.			trans	-78.8	-15.7	174.9	0	0	0	0	0	113.6	F606 S610	F606-A608 HydrophobicContact CD2-CB 4.48Å; F606-A608 HydrophobicContact CE2-CB 3.95Å; F606-A608 PolarHBondContact O-N 2.74Å; A608-S610 PolarHBondContact O-N 3.07Å
609	N	60.4	Low	67.8	Low	132 Å²	132	98.8 Å²	98.8	71%	0.706	53%	0.528	S	S	*	.			trans	-88.4	80.7	-178.1	-63.6	-30.4	0	0	0	110.3	N607	N607-N609 VanDerWaalsContact C-N 3.34Å; N607-N609 PolarHBondContact ND2-O 2.91Å; N607-N609 WeakPolarHBondContact OD1-CB 3.46Å; N607-N609 PolarHBondContact OD1-N 3.49Å
610	S	54.8	Low	67.5	Low	104 Å²	104	95.2 Å²	95.2	73%	0.727	52%	0.516	S	S	*	.			trans	-107.4	43.9	-179	55.7	0	0	0	0	113.7	A608 L612	A608-S610 PolarHBondContact O-N 3.07Å; S610-L612 PolarHBondContact O-N 3.26Å; S610-L612 VanDerWaalsContact O-N 3.08Å
611	E	60.1	Low	67.4	Low	122 Å²	122	100.5 Å²	100.5	57%	0.57	54%	0.535	S	S	*	.			trans	-68.6	104.5	164.5	-77	-175.9	-177.3	0	0	109.6	D613 K614	E611-D613 PolarHBondContact O-N 3.2Å; E611-D613 VanDerWaalsContact O-N 3.16Å; E611-K614 HydrophobicContact CB-CB 4.47Å; E611-K614 HydrophobicContact CB-CD 4.48Å; E611-K614 HydrophobicContact CB-CG 4.5Å; E611-K614 PolarHBondContact O-N 3.41Å; E611-K614 IonicContact OE1-NZ 2.94Å; E611-K614 WeakPolarHBondContact OE2-CD 3.41Å; E611-K614 WeakPolarHBondContact OE2-CE 3.48Å; E611-K614 IonicContact OE2-NZ 3.07Å; E611-K614 PolarHBondContact OE2-NZ 2.82Å
612	L	59.3	Low	67.4	Low	146 Å²	146	100 Å²	100	76%	0.764	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-56.5	-33	-174.7	-157.5	66.7	0	0	0	112.7	S610 K614 L615	S610-L612 PolarHBondContact O-N 3.26Å; S610-L612 VanDerWaalsContact O-N 3.08Å; L612-K614 PolarHBondContact O-N 3Å; L612-L615 PolarHBondContact O-N 2.97Å
613	D	59.3	Low	67.3	Low	161 Å²	161	94.2 Å²	94.2	86%	0.861	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-68.3	-14.7	177.5	-66.6	-24.2	0	0	0	114.1	E611	E611-D613 PolarHBondContact O-N 3.2Å; E611-D613 VanDerWaalsContact O-N 3.16Å
614	K	59.6	Low	67.5	Low	111 Å²	111	94 Å²	94	48%	0.483	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-106.8	12.7	-179.5	-67.4	-176.8	-176.9	152.3	0	113.7	E611 L612 T616 L617 A618	E611-K614 HydrophobicContact CB-CB 4.47Å; E611-K614 HydrophobicContact CB-CD 4.48Å; E611-K614 HydrophobicContact CB-CG 4.5Å; E611-K614 PolarHBondContact O-N 3.41Å; E611-K614 IonicContact OE1-NZ 2.94Å; E611-K614 WeakPolarHBondContact OE2-CD 3.41Å; E611-K614 WeakPolarHBondContact OE2-CE 3.48Å; E611-K614 IonicContact OE2-NZ 3.07Å; E611-K614 PolarHBondContact OE2-NZ 2.82Å; L612-K614 PolarHBondContact O-N 3Å; K614-T616 PolarHBondContact O-N 3.4Å; K614-T616 VanDerWaalsContact O-N 3.14Å; K614-L617 HydrophobicContact CG-CD1 4.32Å; K614-L617 WeakPolarHBondContact O-CA 3.35Å; K614-L617 WeakPolarHBondContact O-CB 3.31Å; K614-L617 PolarHBondContact O-N 2.99Å; K614-A618 PolarHBondContact O-N 3.31Å
615	L	56.3	Low	67.4	Low	131 Å²	131	91.9 Å²	91.9	69%	0.686	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-57.3	-32.1	-176.1	-165.8	67.9	0	0	0	113.5	L612 L617	L612-L615 PolarHBondContact O-N 2.97Å; L615-L617 VanDerWaalsContact C-N 3.33Å
616	T	56.4	Low	67.2	Low	139 Å²	139	96.3 Å²	96.3	85%	0.853	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-78.6	-11.1	176	50.3	0	0	0	0	114.5	K614	K614-T616 PolarHBondContact O-N 3.4Å; K614-T616 VanDerWaalsContact O-N 3.14Å
617	L	59.1	Low	67.1	Low	108 Å²	108	97.6 Å²	97.6	57%	0.565	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-99.1	-2.6	175.9	-66.8	168.6	0	0	0	112.5	K614 L615 Y619 T666	K614-L617 HydrophobicContact CG-CD1 4.32Å; K614-L617 WeakPolarHBondContact O-CA 3.35Å; K614-L617 WeakPolarHBondContact O-CB 3.31Å; K614-L617 PolarHBondContact O-N 2.99Å; L615-L617 VanDerWaalsContact C-N 3.33Å; L617-Y619 WeakPolarHBondContact O-CD1 3.42Å; L617-Y619 PolarHBondContact O-N 3.3Å; L617-T666 PolarHBondContact O-OG1 2.7Å
618	A	62.3	Low	67.2	Low	50 Å²	50	96 Å²	96	41%	0.413	52%	0.521	S	S	.	.			trans	-81.4	91.7	175.3	0	0	0	0	0	110.4	K614 A667	K614-A618 PolarHBondContact O-N 3.31Å; A618-A667 HydrophobicContact CB-CB 4.35Å
619	Y	71.6	Confident	67.6	Low	114 Å²	114	95.9 Å²	95.9	45%	0.447	52%	0.516	S	S	.	.			trans	-123.5	158.5	174.7	69.7	-90.1	0	0	0	111.6	L617 R621 G665 T666 A667	L617-Y619 WeakPolarHBondContact O-CD1 3.42Å; L617-Y619 PolarHBondContact O-N 3.3Å; Y619-R621 HydrophobicContact CD2-CG 4.19Å; Y619-R621 HydrophobicContact CE2-CG 4.14Å; Y619-G665 CarbonylContact O-C 3.59Å; Y619-G665 VanDerWaalsContact O-CA 3.26Å; Y619-G665 WeakPolarHBondContact O-CA 3.41Å; Y619-T666 PolarHBondContact O-N 3.05Å; Y619-A667 WeakPolarHBondContact O-CB 3.2Å; Y619-A667 PolarHBondContact O-N 3.14Å
620	C	76.8	Confident	68.4	Low	39 Å²	39	95.9 Å²	95.9	26%	0.264	52%	0.516	S	S	.	.			trans	-140.2	116.8	166.4	-173.6	0	0	0	0	108.7	A667 C668 P673	C620-A667 HydrophobicContact CB-CB 4.39Å; C620-A667 WeakPolarHBondContact CB-O 3.46Å; C620-C668 WeakPolarHBondContact CA-SG 3.35Å; C620-C668 HydrophobicContact CB-CB 4.15Å; C620-C668 WeakPolarHBondContact CB-SG 3.45Å; C620-C668 WeakPolarHBondContact SG-CA 3.42Å; C620-C668 WeakPolarHBondContact SG-CB 3.42Å; C620-C668 CovalentContact SG-SG 2.03Å; C620-C668 PolarHBondContact SG-SG 3.3Å; C620-P673 HydrophobicContact CB-CB 4.02Å
621	R	78.5	Confident	69.1	Low	115 Å²	115	98.2 Å²	98.2	43%	0.434	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	151.7	178.7	62.2	176.6	176.2	172.3	-2.8	111	Y619 E649 F663 V664	Y619-R621 HydrophobicContact CD2-CG 4.19Å; Y619-R621 HydrophobicContact CE2-CG 4.14Å; R621-E649 IonicContact CZ-OE1 2.68Å; R621-E649 IonicContact NH1-OE1 2.9Å; R621-E649 PolarHBondContact NH1-OE1 3.44Å; R621-F663 WeakPolarHBondContact O-CA 3.27Å; R621-V664 WeakPolarHBondContact CG-O 3.33Å; R621-V664 PolarHBondContact N-O 3.01Å; R621-V664 PolarHBondContact O-N 3.41Å
622	C	81.7	Confident	69.6	Low	10 Å²	10	92.8 Å²	92.8	7%	0.068	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	140.4	168.3	-168.1	0	0	0	0	109.6	C656	C622-C656 HydrophobicContact CB-CB 3.72Å; C622-C656 WeakPolarHBondContact CB-SG 3.43Å; C622-C656 WeakPolarHBondContact SG-CB 3.38Å; C622-C656 CovalentContact SG-SG 2.02Å; C622-C656 PolarHBondContact SG-SG 3.41Å
623	S	79.9	Confident	70.2	Confident	31 Å²	31	91.1 Å²	91.1	22%	0.217	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	162.5	170.7	69.3	0	0	0	0	111	G661 H662 V664	S623-G661 WeakPolarHBondContact O-CA 3Å; S623-H662 PolarHBondContact N-O 3.32Å; S623-H662 PolarHBondContact O-N 3.17Å; S623-H662 PolarHBondContact OG-O 3.39Å; S623-V664 VanDerWaalsContact OG-CG2 3.25Å; S623-V664 WeakPolarHBondContact OG-CG2 3.32Å
624	Q	79.5	Confident	70.6	Confident	87 Å²	87	89.5 Å²	89.5	41%	0.407	46%	0.462	S	S	.	.			trans	-55.3	142.8	168.8	-173.5	-178.4	-32.2	0	0	110.3	W636 A643 W648	Q624-W636 HydrophobicContact CG-CH2 4.43Å; Q624-A643 HydrophobicContact CG-CB 4.4Å; Q624-W648 HydrophobicContact CB-CD2 4.45Å; Q624-W648 HydrophobicContact CB-CZ2 3.99Å; Q624-W648 HydrophobicContact CG-CZ2 4.13Å
625	P	77.4	Confident	71.2	Confident	7 Å²	7	86.5 Å²	86.5	5%	0.045	45%	0.451	C	S	.	.			trans	-70.6	134.4	172.7	28.7	-35.9	0	0	0	112.2	N627 W636	P625-N627 VanDerWaalsContact C-N 3.32Å; P625-N627 PolarHBondContact O-N 3.28Å; P625-W636 HydrophobicContact CG-CH2 3.96Å; P625-W636 HydrophobicContact CG-CZ2 4.21Å
626	D	70.5	Confident	72.2	Confident	150 Å²	150	80.9 Å²	80.9	80%	0.802	42%	0.421	S	S	*	.	S	Bend	trans	-66.2	-30.4	-178.6	-62.6	-47.3	0	0	0	113.4
627	N	72.4	Confident	73	Confident	155 Å²	155	78.3 Å²	78.3	83%	0.829	41%	0.409	S	S	*	.	S	Bend	trans	-133.2	85.1	176.8	-89.5	-44.5	0	0	0	110.6	P625	P625-N627 VanDerWaalsContact C-N 3.32Å; P625-N627 PolarHBondContact O-N 3.28Å
628	P	70.7	Confident	73.7	Confident	34 Å²	34	81.2 Å²	81.2	22%	0.221	42%	0.419	C	S	.	.			trans	-62.6	133.9	173.7	23	-32.1	0	0	0	112.3	F633	P628-F633 HydrophobicContact CB-CD2 4.14Å; P628-F633 HydrophobicContact CB-CE2 3.71Å; P628-F633 HydrophobicContact CB-CZ 3.99Å; P628-F633 HydrophobicContact CG-CD2 4.37Å; P628-F633 HydrophobicContact CG-CE1 4.28Å; P628-F633 HydrophobicContact CG-CE2 3.46Å; P628-F633 VanDerWaalsContact CG-CE2 3.46Å; P628-F633 HydrophobicContact CG-CZ 3.41Å; P628-F633 VanDerWaalsContact CG-CZ 3.41Å
629	S	73.7	Confident	74.1	Confident	67 Å²	67	85.5 Å²	85.5	47%	0.469	43%	0.425	S	S	.	.			trans	-73.8	157.3	173.3	-179.3	0	0	0	0	110.8	K631 T632 F633	S629-K631 PolarHBondContact O-N 3.5Å; S629-K631 VanDerWaalsContact O-N 3.12Å; S629-T632 WeakPolarHBondContact CB-OG1 3.26Å; S629-T632 PolarHBondContact N-OG1 3.36Å; S629-T632 WeakPolarHBondContact O-CA 3.38Å; S629-T632 VanDerWaalsContact O-CB 3.28Å; S629-T632 WeakPolarHBondContact O-CB 3.45Å; S629-T632 PolarHBondContact O-N 3.14Å; S629-T632 PolarHBondContact O-OG1 3.2Å; S629-T632 VanDerWaalsContact O-OG1 3.12Å; S629-F633 WeakPolarHBondContact O-CD2 3.4Å; S629-F633 PolarHBondContact O-N 2.99Å; S629-F633 VanDerWaalsContact O-N 3.11Å
630	N	75.6	Confident	74.3	Confident	132 Å²	132	87.5 Å²	87.5	71%	0.706	44%	0.443	S	S	*	.	H	α-helix	trans	-52.1	-35.6	171.7	-69.8	7.1	0	0	0	112.2	F633 E634	N630-F633 PolarHBondContact O-N 3.3Å; N630-E634 PolarHBondContact O-N 3.25Å
631	K	69.6	Low	74	Confident	154 Å²	154	88 Å²	88	67%	0.67	44%	0.443	S	S	*	.	H	α-helix	trans	-66.2	-35.1	175.2	-68.9	-172	175.5	-174.2	0	113.3	S629 L635	S629-K631 PolarHBondContact O-N 3.5Å; S629-K631 VanDerWaalsContact O-N 3.12Å; K631-L635 WeakPolarHBondContact O-CB 3.48Å; K631-L635 PolarHBondContact O-N 3.47Å
632	T	71.8	Confident	73.6	Confident	8 Å²	8	85.4 Å²	85.4	5%	0.049	44%	0.44	C	S	.	.	H	α-helix	trans	-65.5	-42.7	175.3	-26.9	0	0	0	0	110.1	S629 L635 W636 Q660	S629-T632 WeakPolarHBondContact CB-OG1 3.26Å; S629-T632 PolarHBondContact N-OG1 3.36Å; S629-T632 WeakPolarHBondContact O-CA 3.38Å; S629-T632 VanDerWaalsContact O-CB 3.28Å; S629-T632 WeakPolarHBondContact O-CB 3.45Å; S629-T632 PolarHBondContact O-N 3.14Å; S629-T632 PolarHBondContact O-OG1 3.2Å; S629-T632 VanDerWaalsContact O-OG1 3.12Å; T632-L635 PolarHBondContact O-N 2.64Å; T632-W636 HydrophobicContact CG2-CD2 4.49Å; T632-W636 HydrophobicContact CG2-CZ2 3.94Å; T632-W636 WeakPolarHBondContact O-CB 3.42Å; T632-W636 VanDerWaalsContact O-CG 3.28Å; T632-W636 PolarHBondContact O-N 2.76Å; T632-Q660 HydrophobicContact CG2-CB 3.83Å; T632-Q660 HydrophobicContact CG2-CG 4.38Å
633	F	70.7	Confident	72.8	Confident	111 Å²	111	85.8 Å²	85.8	49%	0.487	44%	0.444	S	S	.	.	H	α-helix	trans	-65.8	-42.3	176	-78.3	-67.6	0	0	0	113	P628 S629 N630 S637	P628-F633 HydrophobicContact CB-CD2 4.14Å; P628-F633 HydrophobicContact CB-CE2 3.71Å; P628-F633 HydrophobicContact CB-CZ 3.99Å; P628-F633 HydrophobicContact CG-CD2 4.37Å; P628-F633 HydrophobicContact CG-CE1 4.28Å; P628-F633 HydrophobicContact CG-CE2 3.46Å; P628-F633 VanDerWaalsContact CG-CE2 3.46Å; P628-F633 HydrophobicContact CG-CZ 3.41Å; P628-F633 VanDerWaalsContact CG-CZ 3.41Å; S629-F633 WeakPolarHBondContact O-CD2 3.4Å; S629-F633 PolarHBondContact O-N 2.99Å; S629-F633 VanDerWaalsContact O-N 3.11Å; N630-F633 PolarHBondContact O-N 3.3Å; F633-S637 WeakPolarHBondContact O-CB 3.17Å; F633-S637 PolarHBondContact O-N 2.97Å
634	E	69.3	Low	71.9	Confident	126 Å²	126	94.7 Å²	94.7	59%	0.589	47%	0.473	S	S	*	.	H	α-helix	trans	-58.1	-48.3	172.8	-75.8	175.6	149.8	0	0	111	N630 W636 S637 E638	N630-E634 PolarHBondContact O-N 3.25Å; E634-W636 PolarHBondContact O-N 3.1Å; E634-S637 WeakPolarHBondContact O-CB 3.34Å; E634-S637 PolarHBondContact O-N 2.95Å; E634-E638 WeakPolarHBondContact O-CG 3.35Å; E634-E638 PolarHBondContact O-N 3.03Å
635	L	71.8	Confident	71.4	Confident	48 Å²	48	93.7 Å²	93.7	25%	0.251	48%	0.479	S	S	.	.	H	α-helix	trans	-66.4	-37.9	-177.7	-159.4	160.9	0	0	0	112.6	K631 T632 R639	K631-L635 WeakPolarHBondContact O-CB 3.48Å; K631-L635 PolarHBondContact O-N 3.47Å; T632-L635 PolarHBondContact O-N 2.64Å; L635-R639 WeakPolarHBondContact O-CG 3.28Å; L635-R639 PolarHBondContact O-N 3.08Å
636	W	76.7	Confident	71.2	Confident	13 Å²	13	94.5 Å²	94.5	5%	0.049	48%	0.484	C	S	.	.	H	α-helix	trans	-69.8	-36.7	173	-68.8	-3.3	0	0	0	112.1	Q624 P625 T632 E634 R639 N640 I641 A643 W648 L659	Q624-W636 HydrophobicContact CG-CH2 4.43Å; P625-W636 HydrophobicContact CG-CH2 3.96Å; P625-W636 HydrophobicContact CG-CZ2 4.21Å; T632-W636 HydrophobicContact CG2-CD2 4.49Å; T632-W636 HydrophobicContact CG2-CZ2 3.94Å; T632-W636 WeakPolarHBondContact O-CB 3.42Å; T632-W636 VanDerWaalsContact O-CG 3.28Å; T632-W636 PolarHBondContact O-N 2.76Å; E634-W636 PolarHBondContact O-N 3.1Å; W636-R639 PolarHBondContact O-N 2.93Å; W636-N640 PolarHBondContact O-N 3.3Å; W636-N640 VanDerWaalsContact O-N 3.13Å; W636-I641 PolarHBondContact O-N 2.7Å; W636-A643 HydrophobicContact CE3-CB 4.24Å; W636-A643 HydrophobicContact CH2-CB 4.07Å; W636-A643 HydrophobicContact CZ3-CB 3.64Å; W636-W648 HydrophobicContact CH2-CZ2 4.46Å; W636-W648 HydrophobicContact CZ2-CH2 4.04Å; W636-W648 HydrophobicContact CZ2-CZ2 4.29Å; W636-L659 PolarHBondContact NE1-O 2.87Å
637	S	73.1	Confident	71.3	Confident	86 Å²	86	91.1 Å²	91.1	60%	0.601	47%	0.472	S	S	*	.	H	α-helix	trans	-65.8	-49.4	175.5	-172	0	0	0	0	112.1	F633 E634 R639 N640	F633-S637 WeakPolarHBondContact O-CB 3.17Å; F633-S637 PolarHBondContact O-N 2.97Å; E634-S637 WeakPolarHBondContact O-CB 3.34Å; E634-S637 PolarHBondContact O-N 2.95Å; S637-R639 PolarHBondContact O-N 2.65Å; S637-R639 VanDerWaalsContact O-N 3.13Å; S637-N640 PolarHBondContact O-N 3.33Å
638	E	73.7	Confident	71.5	Confident	169 Å²	169	85.1 Å²	85.1	79%	0.79	44%	0.438	S	S	*	.	H	α-helix	trans	-56.8	-29.8	176.1	-76.8	-172.7	157.7	0	0	113	E634	E634-E638 WeakPolarHBondContact O-CG 3.35Å; E634-E638 PolarHBondContact O-N 3.03Å
639	R	71.7	Confident	71.4	Confident	139 Å²	139	90.2 Å²	90.2	53%	0.525	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	1.6	179.7	-65.4	-174.7	177.7	173.4	1.7	114.4	L635 W636 S637 I641	L635-R639 WeakPolarHBondContact O-CG 3.28Å; L635-R639 PolarHBondContact O-N 3.08Å; W636-R639 PolarHBondContact O-N 2.93Å; S637-R639 PolarHBondContact O-N 2.65Å; S637-R639 VanDerWaalsContact O-N 3.13Å; R639-I641 VanDerWaalsContact C-N 3.26Å; R639-I641 HydrophobicContact CB-CD1 3.69Å; R639-I641 HydrophobicContact CB-CG1 3.73Å; R639-I641 PolarHBondContact O-N 3.22Å
640	N	74.9	Confident	71.4	Confident	156 Å²	156	94 Å²	94	83%	0.834	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	37.7	-172.6	-78.6	-38.5	0	0	0	113.9	W636 S637	W636-N640 PolarHBondContact O-N 3.3Å; W636-N640 VanDerWaalsContact O-N 3.13Å; S637-N640 PolarHBondContact O-N 3.33Å
641	I	71.3	Confident	71.4	Confident	49 Å²	49	89.4 Å²	89.4	25%	0.251	45%	0.449	S	S	.	.			trans	-99.3	124.6	-178.7	-58.3	178.6	0	0	0	109.9	W636 R639 V646 L659	W636-I641 PolarHBondContact O-N 2.7Å; R639-I641 VanDerWaalsContact C-N 3.26Å; R639-I641 HydrophobicContact CB-CD1 3.69Å; R639-I641 HydrophobicContact CB-CG1 3.73Å; R639-I641 PolarHBondContact O-N 3.22Å; I641-V646 HydrophobicContact CG2-CG2 3.48Å; I641-V646 VanDerWaalsContact CG2-CG2 3.48Å; I641-L659 HydrophobicContact CD1-CD2 3.52Å
642	T	69.1	Low	71.7	Confident	62 Å²	62	85.7 Å²	85.7	38%	0.38	44%	0.44	S	S	.	.			trans	-96.7	135	168.6	50.6	0	0	0	0	110.7	W644 A645	T642-W644 HydrophobicContact CG2-CZ2 4.35Å; T642-W644 PolarHBondContact O-N 3.27Å; T642-A645 PolarHBondContact O-N 3.21Å; T642-A645 VanDerWaalsContact OG1-CB 3.22Å; T642-A645 WeakPolarHBondContact OG1-CB 3.36Å
643	A	65.4	Low	71.6	Confident	18 Å²	18	88.7 Å²	88.7	15%	0.149	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.7	-172.9	0	0	0	0	0	114.7	Q624 W636 W648	Q624-A643 HydrophobicContact CG-CB 4.4Å; W636-A643 HydrophobicContact CE3-CB 4.24Å; W636-A643 HydrophobicContact CH2-CB 4.07Å; W636-A643 HydrophobicContact CZ3-CB 3.64Å; A643-W648 PolarHBondContact O-NE1 3.34Å
644	W	62	Low	71.7	Confident	217 Å²	217	92 Å²	92	82%	0.822	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-14.8	178.3	56.7	-99.4	0	0	0	114.1	T642 V646	T642-W644 HydrophobicContact CG2-CZ2 4.35Å; T642-W644 PolarHBondContact O-N 3.27Å; W644-V646 VanDerWaalsContact C-N 3.35Å
645	A	67.9	Low	71.9	Confident	66 Å²	66	90.4 Å²	90.4	55%	0.545	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-11.6	175.4	0	0	0	0	0	112.6	T642	T642-A645 PolarHBondContact O-N 3.21Å; T642-A645 VanDerWaalsContact OG1-CB 3.22Å; T642-A645 WeakPolarHBondContact OG1-CB 3.36Å
646	V	72.9	Confident	72.1	Confident	24 Å²	24	88.1 Å²	88.1	15%	0.145	45%	0.453	C	S	.	.	S	Bend	trans	-86.1	120.2	175.1	-179.9	0	0	0	0	109.4	I641 W644 W648 L651 L659	I641-V646 HydrophobicContact CG2-CG2 3.48Å; I641-V646 VanDerWaalsContact CG2-CG2 3.48Å; W644-V646 VanDerWaalsContact C-N 3.35Å; V646-W648 VanDerWaalsContact C-N 3.28Å; V646-W648 HydrophobicContact CB-CZ2 4.41Å; V646-W648 HydrophobicContact CG1-CD2 4.08Å; V646-W648 HydrophobicContact CG1-CE3 4.38Å; V646-W648 HydrophobicContact CG1-CG 4.42Å; V646-W648 HydrophobicContact CG1-CZ2 4.41Å; V646-W648 PolarHBondContact O-N 3.43Å; V646-W648 PolarHBondContact O-NE1 3.27Å; V646-L651 HydrophobicContact CG1-CD1 3.8Å; V646-L651 HydrophobicContact CG1-CD2 3.72Å; V646-L651 HydrophobicContact CG1-CG 4.43Å; V646-L659 HydrophobicContact CG1-CD1 4.14Å
647	S	73.7	Confident	72	Confident	79 Å²	79	92.5 Å²	92.5	55%	0.552	48%	0.475	S	S	*	.			trans	-80.7	69.7	177.7	49.5	0	0	0	0	111.8	E649 N650 L651	S647-E649 PolarHBondContact O-N 3.22Å; S647-N650 PolarHBondContact O-N 3.31Å; S647-L651 WeakPolarHBondContact O-CD1 3.44Å
648	W	75.4	Confident	72.1	Confident	30 Å²	30	91.3 Å²	91.3	11%	0.114	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-42.1	-34	-171.2	-64.1	96.1	0	0	0	116.2	Q624 W636 A643 V646	Q624-W648 HydrophobicContact CB-CD2 4.45Å; Q624-W648 HydrophobicContact CB-CZ2 3.99Å; Q624-W648 HydrophobicContact CG-CZ2 4.13Å; W636-W648 HydrophobicContact CH2-CZ2 4.46Å; W636-W648 HydrophobicContact CZ2-CH2 4.04Å; W636-W648 HydrophobicContact CZ2-CZ2 4.29Å; A643-W648 PolarHBondContact O-NE1 3.34Å; V646-W648 VanDerWaalsContact C-N 3.28Å; V646-W648 HydrophobicContact CB-CZ2 4.41Å; V646-W648 HydrophobicContact CG1-CD2 4.08Å; V646-W648 HydrophobicContact CG1-CE3 4.38Å; V646-W648 HydrophobicContact CG1-CG 4.42Å; V646-W648 HydrophobicContact CG1-CZ2 4.41Å; V646-W648 PolarHBondContact O-N 3.43Å; V646-W648 PolarHBondContact O-NE1 3.27Å
649	E	69.2	Low	72.1	Confident	140 Å²	140	84.3 Å²	84.3	65%	0.654	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-74.1	-22.1	-179.6	-58.2	-167	139.1	0	0	114.8	R621 S647	R621-E649 IonicContact CZ-OE1 2.68Å; R621-E649 IonicContact NH1-OE1 2.9Å; R621-E649 PolarHBondContact NH1-OE1 3.44Å; S647-E649 PolarHBondContact O-N 3.22Å
650	N	74.4	Confident	72.2	Confident	146 Å²	146	81.7 Å²	81.7	78%	0.781	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-98.7	2.3	179.1	-93.7	-1.1	0	0	0	113.8	S647	S647-N650 PolarHBondContact O-N 3.31Å
651	L	74.1	Confident	72.2	Confident	36 Å²	36	74.8 Å²	74.8	19%	0.188	39%	0.393	C	S	.	.			trans	-77.8	139.3	-179.7	-91.1	66.5	0	0	0	111.5	V646 S647 E655 L659	V646-L651 HydrophobicContact CG1-CD1 3.8Å; V646-L651 HydrophobicContact CG1-CD2 3.72Å; V646-L651 HydrophobicContact CG1-CG 4.43Å; S647-L651 WeakPolarHBondContact O-CD1 3.44Å; L651-E655 HydrophobicContact CB-CB 4.28Å; L651-E655 HydrophobicContact CD2-CB 4.2Å; L651-E655 HydrophobicContact CG-CB 4.07Å; L651-L659 HydrophobicContact CD2-CD1 3.58Å
652	T	75.9	Confident	72.5	Confident	77 Å²	77	77.9 Å²	77.9	47%	0.472	41%	0.407	S	S	.	.			trans	-67.5	156.9	166.5	68.4	0	0	0	0	110.8	K654 E655 C656	T652-K654 PolarHBondContact O-N 2.95Å; T652-E655 VanDerWaalsContact CB-OE2 3.26Å; T652-E655 WeakPolarHBondContact CB-OE2 3.39Å; T652-E655 VanDerWaalsContact CG2-OE2 3.32Å; T652-E655 WeakPolarHBondContact CG2-OE2 3.38Å; T652-E655 PolarHBondContact N-OE2 3.41Å; T652-E655 PolarHBondContact O-N 3.18Å; T652-E655 WeakPolarHBondContact OG1-CG 3.29Å; T652-E655 PolarHBondContact OG1-N 3.25Å; T652-E655 PolarHBondContact OG1-OE2 3.14Å; T652-C656 PolarHBondContact O-N 3.42Å
653	V	71.3	Confident	72.9	Confident	71 Å²	71	76.8 Å²	76.8	43%	0.43	40%	0.397	S	S	.	.	H	α-helix	trans	-52.3	-34.5	178.6	-176.3	0	0	0	0	112.4	M657 F663 P673	V653-M657 WeakPolarHBondContact O-CG 3.45Å; V653-M657 PolarHBondContact O-N 2.99Å; V653-F663 HydrophobicContact CG1-CE1 4.19Å; V653-F663 HydrophobicContact CG1-CZ 3.76Å; V653-P673 HydrophobicContact CG1-CG 4.21Å; V653-P673 HydrophobicContact CG2-CG 3.8Å
654	K	72.3	Confident	73.4	Confident	180 Å²	180	78.9 Å²	78.9	78%	0.783	41%	0.407	S	S	*	.	H	α-helix	trans	-73.1	-39.3	178.2	-68.2	-179.5	-179.1	174.3	0	112.7	T652 S658	T652-K654 PolarHBondContact O-N 2.95Å; K654-S658 WeakPolarHBondContact O-CB 3.48Å; K654-S658 PolarHBondContact O-N 3.03Å
655	E	73.1	Confident	74	Confident	92 Å²	92	69.7 Å²	69.7	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-71	-40.9	177.1	-69.1	156.3	153	0	0	110.9	L651 T652 M657 S658 L659	L651-E655 HydrophobicContact CB-CB 4.28Å; L651-E655 HydrophobicContact CD2-CB 4.2Å; L651-E655 HydrophobicContact CG-CB 4.07Å; T652-E655 VanDerWaalsContact CB-OE2 3.26Å; T652-E655 WeakPolarHBondContact CB-OE2 3.39Å; T652-E655 VanDerWaalsContact CG2-OE2 3.32Å; T652-E655 WeakPolarHBondContact CG2-OE2 3.38Å; T652-E655 PolarHBondContact N-OE2 3.41Å; T652-E655 PolarHBondContact O-N 3.18Å; T652-E655 WeakPolarHBondContact OG1-CG 3.29Å; T652-E655 PolarHBondContact OG1-N 3.25Å; T652-E655 PolarHBondContact OG1-OE2 3.14Å; E655-M657 PolarHBondContact O-N 3.37Å; E655-S658 PolarHBondContact O-N 3.34Å; E655-S658 PolarHBondContact O-OG 3.02Å; E655-S658 VanDerWaalsContact O-OG 3.05Å; E655-L659 WeakPolarHBondContact O-CB 3.49Å; E655-L659 WeakPolarHBondContact O-CG 3.47Å; E655-L659 PolarHBondContact O-N 2.89Å
656	C	76.9	Confident	74	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.007	38%	0.381	C	S	.	.	H	α-helix	trans	-53.8	-51.4	171.9	179.2	0	0	0	0	111.7	C622 T652 L659 Q660 G661 F663	C622-C656 HydrophobicContact CB-CB 3.72Å; C622-C656 WeakPolarHBondContact CB-SG 3.43Å; C622-C656 WeakPolarHBondContact SG-CB 3.38Å; C622-C656 CovalentContact SG-SG 2.02Å; C622-C656 PolarHBondContact SG-SG 3.41Å; T652-C656 PolarHBondContact O-N 3.42Å; C656-L659 PolarHBondContact O-N 3.18Å; C656-Q660 PolarHBondContact O-N 2.95Å; C656-G661 PolarHBondContact O-N 3.08Å; C656-F663 HydrophobicContact CB-CE1 4.1Å; C656-F663 HydrophobicContact CB-CZ 3.99Å; C656-F663 WeakPolarHBondContact SG-CE1 3.42Å; C656-F663 WeakPolarHBondContact SG-CZ 3.45Å
657	M	74.4	Confident	73.7	Confident	104 Å²	104	70.7 Å²	70.7	51%	0.512	38%	0.382	S	S	.	.	H	α-helix	trans	-63.7	-39.7	176.9	-76	-83	-113.7	0	0	112.7	V653 E655 L659 Q660 F663 H671	V653-M657 WeakPolarHBondContact O-CG 3.45Å; V653-M657 PolarHBondContact O-N 2.99Å; E655-M657 PolarHBondContact O-N 3.37Å; M657-L659 PolarHBondContact O-N 3.2Å; M657-Q660 PolarHBondContact O-N 2.8Å; M657-Q660 VanDerWaalsContact O-N 3.14Å; M657-F663 HydrophobicContact CG-CE2 3.94Å; M657-F663 HydrophobicContact CG-CZ 4.07Å; M657-F663 HydrophobicContact SD-CE2 3.98Å; M657-H671 WeakPolarHBondContact CE-O 3.43Å
658	S	74.5	Confident	73.5	Confident	62 Å²	62	68 Å²	68	43%	0.434	36%	0.363	S	S	.	.	H	α-helix	trans	-71.7	-17.8	-178.9	80	0	0	0	0	114	K654 E655	K654-S658 WeakPolarHBondContact O-CB 3.48Å; K654-S658 PolarHBondContact O-N 3.03Å; E655-S658 PolarHBondContact O-N 3.34Å; E655-S658 PolarHBondContact O-OG 3.02Å; E655-S658 VanDerWaalsContact O-OG 3.05Å
659	L	73.9	Confident	73.1	Confident	21 Å²	21	67.7 Å²	67.7	11%	0.11	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	3.9	173.5	-68.1	165.2	0	0	0	113	W636 I641 V646 L651 E655 C656 M657 G661	W636-L659 PolarHBondContact NE1-O 2.87Å; I641-L659 HydrophobicContact CD1-CD2 3.52Å; V646-L659 HydrophobicContact CG1-CD1 4.14Å; L651-L659 HydrophobicContact CD2-CD1 3.58Å; E655-L659 WeakPolarHBondContact O-CB 3.49Å; E655-L659 WeakPolarHBondContact O-CG 3.47Å; E655-L659 PolarHBondContact O-N 2.89Å; C656-L659 PolarHBondContact O-N 3.18Å; M657-L659 PolarHBondContact O-N 3.2Å; L659-G661 VanDerWaalsContact C-N 3.35Å; L659-G661 PolarHBondContact O-N 3.49Å
660	Q	73.1	Confident	72.8	Confident	85 Å²	85	70.1 Å²	70.1	40%	0.397	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	40.4	-178.7	-54.5	-173.4	-95.2	0	0	113.8	T632 C656 M657	T632-Q660 HydrophobicContact CG2-CB 3.83Å; T632-Q660 HydrophobicContact CG2-CG 4.38Å; C656-Q660 PolarHBondContact O-N 2.95Å; M657-Q660 PolarHBondContact O-N 2.8Å; M657-Q660 VanDerWaalsContact O-N 3.14Å
661	G	75.3	Confident	72.2	Confident	10 Å²	10	71 Å²	71	10%	0.103	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-69.5	155.1	168.2	0	0	0	0	0	112.9	S623 C656 L659	S623-G661 WeakPolarHBondContact O-CA 3Å; C656-G661 PolarHBondContact O-N 3.08Å; L659-G661 VanDerWaalsContact C-N 3.35Å; L659-G661 PolarHBondContact O-N 3.49Å
662	H	76.9	Confident	71.9	Confident	114 Å²	114	69.9 Å²	69.9	53%	0.528	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	146.2	169.6	-88.2	-61.4	0	0	0	110.6	S623	S623-H662 PolarHBondContact N-O 3.32Å; S623-H662 PolarHBondContact O-N 3.17Å; S623-H662 PolarHBondContact OG-O 3.39Å
663	F	78.8	Confident	71.5	Confident	39 Å²	39	68.3 Å²	68.3	17%	0.171	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.3	175.9	-67.9	-75.2	0	0	0	109.9	R621 V653 C656 M657 C668	R621-F663 WeakPolarHBondContact O-CA 3.27Å; V653-F663 HydrophobicContact CG1-CE1 4.19Å; V653-F663 HydrophobicContact CG1-CZ 3.76Å; C656-F663 HydrophobicContact CB-CE1 4.1Å; C656-F663 HydrophobicContact CB-CZ 3.99Å; C656-F663 WeakPolarHBondContact SG-CE1 3.42Å; C656-F663 WeakPolarHBondContact SG-CZ 3.45Å; M657-F663 HydrophobicContact CG-CE2 3.94Å; M657-F663 HydrophobicContact CG-CZ 4.07Å; M657-F663 HydrophobicContact SD-CE2 3.98Å; F663-C668 HydrophobicContact CB-CB 4.06Å
664	V	75.7	Confident	71.3	Confident	62 Å²	62	67.7 Å²	67.7	38%	0.376	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.5	-176.9	178.2	0	0	0	0	110.3	R621 S623	R621-V664 WeakPolarHBondContact CG-O 3.33Å; R621-V664 PolarHBondContact N-O 3.01Å; R621-V664 PolarHBondContact O-N 3.41Å; S623-V664 VanDerWaalsContact OG-CG2 3.25Å; S623-V664 WeakPolarHBondContact OG-CG2 3.32Å
665	G	74.5	Confident	71	Confident	24 Å²	24	62.1 Å²	62.1	25%	0.247	34%	0.34	C	S	.	.	S	Bend	trans	149.5	163.3	177.1	0	0	0	0	0	112.8	Y619 A667 C668	Y619-G665 CarbonylContact O-C 3.59Å; Y619-G665 VanDerWaalsContact O-CA 3.26Å; Y619-G665 WeakPolarHBondContact O-CA 3.41Å; G665-A667 PolarHBondContact O-N 2.77Å; G665-C668 PolarHBondContact N-SG 2.94Å; G665-C668 PolarHBondContact O-N 3.17Å
666	T	68.1	Low	70.8	Confident	92 Å²	92	62.5 Å²	62.5	56%	0.564	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.3	179	46.7	0	0	0	0	113.3	L617 Y619	L617-T666 PolarHBondContact O-OG1 2.7Å; Y619-T666 PolarHBondContact O-N 3.05Å
667	A	65.9	Low	70.8	Confident	20 Å²	20	67.5 Å²	67.5	17%	0.165	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	21.8	175.8	0	0	0	0	0	113.5	A618 Y619 C620 G665 F674	A618-A667 HydrophobicContact CB-CB 4.35Å; Y619-A667 WeakPolarHBondContact O-CB 3.2Å; Y619-A667 PolarHBondContact O-N 3.14Å; C620-A667 HydrophobicContact CB-CB 4.39Å; C620-A667 WeakPolarHBondContact CB-O 3.46Å; G665-A667 PolarHBondContact O-N 2.77Å; A667-F674 HydrophobicContact CB-CD2 4.32Å; A667-F674 WeakPolarHBondContact O-CD2 3.42Å; A667-F674 PolarHBondContact O-N 2.85Å; A667-F674 VanDerWaalsContact O-N 3.17Å
668	C	70.7	Confident	71.2	Confident	23 Å²	23	62.6 Å²	62.6	16%	0.155	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.6	170.6	-55.9	0	0	0	0	111.2	C620 F663 G665	C620-C668 WeakPolarHBondContact CA-SG 3.35Å; C620-C668 HydrophobicContact CB-CB 4.15Å; C620-C668 WeakPolarHBondContact CB-SG 3.45Å; C620-C668 WeakPolarHBondContact SG-CA 3.42Å; C620-C668 WeakPolarHBondContact SG-CB 3.42Å; C620-C668 CovalentContact SG-SG 2.03Å; C620-C668 PolarHBondContact SG-SG 3.3Å; F663-C668 HydrophobicContact CB-CB 4.06Å; G665-C668 PolarHBondContact N-SG 2.94Å; G665-C668 PolarHBondContact O-N 3.17Å
669	G	66.1	Low	71.7	Confident	22 Å²	22	60.6 Å²	60.6	23%	0.227	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	179.1	163.4	0	0	0	0	0	112	H671 G672	G669-H671 PolarHBondContact O-N 3.48Å; G669-G672 PolarHBondContact N-O 3.34Å; G669-G672 PolarHBondContact O-N 2.94Å
670	H	62.4	Low	72.4	Confident	192 Å²	192	65.1 Å²	65.1	89%	0.889	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-19.7	-177.5	-84.4	-74.6	0	0	0	115.6
671	H	61.7	Low	73.3	Confident	163 Å²	163	63 Å²	63	76%	0.755	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.3	7.1	-174.1	-61.1	-45.4	0	0	0	114.7	M657 G669	M657-H671 WeakPolarHBondContact CE-O 3.43Å; G669-H671 PolarHBondContact O-N 3.48Å
672	G	68.3	Low	73.9	Confident	13 Å²	13	62.6 Å²	62.6	13%	0.134	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.3	-179.3	-178.8	0	0	0	0	0	114.2	G669	G669-G672 PolarHBondContact N-O 3.34Å; G669-G672 PolarHBondContact O-N 2.94Å
673	P	67.6	Low	74.6	Confident	44 Å²	44	60 Å²	60	29%	0.286	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	146.9	173	28	-34.4	0	0	0	111.7	C620 V653 T675	C620-P673 HydrophobicContact CB-CB 4.02Å; V653-P673 HydrophobicContact CG1-CG 4.21Å; V653-P673 HydrophobicContact CG2-CG 3.8Å; P673-T675 PolarHBondContact O-N 3.01Å
674	F	67.9	Low	75.3	Confident	58 Å²	58	62.5 Å²	62.5	25%	0.254	34%	0.344	S	S	.	.			trans	-61	135	172.2	-69.6	-70.2	0	0	0	110.9	P605 N607 A667	P605-F674 HydrophobicContact CB-CE1 4.13Å; P605-F674 HydrophobicContact CG-CD1 4.12Å; P605-F674 HydrophobicContact CG-CE1 3.81Å; P605-F674 VanDerWaalsContact O-CD1 3.32Å; P605-F674 WeakPolarHBondContact O-CD1 3.37Å; N607-F674 HydrophobicContact CB-CD2 4.44Å; A667-F674 HydrophobicContact CB-CD2 4.32Å; A667-F674 WeakPolarHBondContact O-CD2 3.42Å; A667-F674 PolarHBondContact O-N 2.85Å; A667-F674 VanDerWaalsContact O-N 3.17Å
675	T	65.8	Low	76.1	Confident	64 Å²	64	59.7 Å²	59.7	39%	0.393	33%	0.326	S	S	.	.			trans	-104.6	109.7	167.8	37.4	0	0	0	0	108	Y604 P673	Y604-T675 WeakPolarHBondContact CD1-OG1 3.49Å; P673-T675 PolarHBondContact O-N 3.01Å
676	P	68.3	Low	76.9	Confident	100 Å²	100	58.5 Å²	58.5	65%	0.649	31%	0.314	S	S	*	.	S	Bend	trans	-65	155.1	-177.5	26.9	-33.9	0	0	0	111.5	V678	P676-V678 PolarHBondContact O-N 3.45Å
677	D	77.3	Confident	78.2	Confident	106 Å²	106	58 Å²	58	57%	0.567	30%	0.304	S	S	*	.	S	Bend	trans	62.6	-15.5	169.6	-49.3	-40	0	0	0	118.3	L679 F680 W681	D677-L679 VanDerWaalsContact C-N 3.31Å; D677-L679 PolarHBondContact O-N 2.71Å; D677-F680 PolarHBondContact O-N 2.96Å; D677-W681 WeakPolarHBondContact O-CB 3.31Å; D677-W681 PolarHBondContact O-N 3.05Å
678	V	83.6	Confident	79.5	Confident	1 Å²	1	59 Å²	59	1%	0.006	31%	0.31	C	S	.	.	H	α-helix	trans	-56.1	-42	180	179.1	0	0	0	0	112.2	Y604 P676 S682 V734 P735	Y604-V678 HydrophobicContact CD1-CB 4.43Å; Y604-V678 HydrophobicContact CD1-CG1 4.07Å; Y604-V678 HydrophobicContact CD2-CG1 4.11Å; Y604-V678 HydrophobicContact CE1-CG1 4.25Å; Y604-V678 HydrophobicContact CE2-CG1 4.29Å; Y604-V678 HydrophobicContact CG-CB 4.49Å; Y604-V678 HydrophobicContact CG-CG1 3.99Å; P676-V678 PolarHBondContact O-N 3.45Å; V678-S682 VanDerWaalsContact O-CB 3.28Å; V678-S682 WeakPolarHBondContact O-CB 3.22Å; V678-S682 PolarHBondContact O-N 3.11Å; V678-S682 PolarHBondContact O-OG 3.06Å; V678-V734 HydrophobicContact CG2-CG1 4.11Å; V678-P735 HydrophobicContact CG2-CG 4.05Å
679	L	84.9	Confident	80.6	Confident	20 Å²	20	57.9 Å²	57.9	11%	0.105	30%	0.303	C	S	.	.	H	α-helix	trans	-67	-49.6	178.8	179	56.3	0	0	0	112	F606 D677 W681 S682 I683	F606-L679 HydrophobicContact CB-CD2 4.49Å; F606-L679 HydrophobicContact CD1-CD2 4.36Å; D677-L679 VanDerWaalsContact C-N 3.31Å; D677-L679 PolarHBondContact O-N 2.71Å; L679-W681 PolarHBondContact O-N 3.2Å; L679-S682 PolarHBondContact O-N 3.47Å; L679-I683 HydrophobicContact CD1-CD1 3.89Å; L679-I683 HydrophobicContact CD1-CG1 4.23Å; L679-I683 HydrophobicContact CG-CD1 3.96Å; L679-I683 WeakPolarHBondContact O-CG1 3.16Å; L679-I683 PolarHBondContact O-N 2.85Å
680	F	88.2	Confident	81.9	Confident	116 Å²	116	59 Å²	59	51%	0.509	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-43.4	179.6	-65.3	-63.3	0	0	0	111.3	F606 D677 S682 I683 I684	F606-F680 HydrophobicContact CB-CE2 4.45Å; F606-F680 HydrophobicContact CB-CZ 4.44Å; D677-F680 PolarHBondContact O-N 2.96Å; F680-S682 VanDerWaalsContact C-N 3.33Å; F680-S682 PolarHBondContact O-N 2.82Å; F680-I683 PolarHBondContact O-N 2.82Å; F680-I684 WeakPolarHBondContact O-CD1 3.5Å; F680-I684 VanDerWaalsContact O-CG1 3.26Å; F680-I684 WeakPolarHBondContact O-CG1 3.4Å; F680-I684 PolarHBondContact O-N 2.93Å
681	W	90.6	Very high	83.4	Confident	41 Å²	41	56 Å²	56	16%	0.155	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-41.6	174.5	-174.4	-120.4	0	0	0	112.3	D677 L679 I684 L685 D729 V732 V734	D677-W681 WeakPolarHBondContact O-CB 3.31Å; D677-W681 PolarHBondContact O-N 3.05Å; L679-W681 PolarHBondContact O-N 3.2Å; W681-I684 HydrophobicContact CE3-CG2 4.41Å; W681-I684 HydrophobicContact CZ3-CG2 4.21Å; W681-I684 PolarHBondContact O-N 3.34Å; W681-L685 HydrophobicContact CD2-CG 4.39Å; W681-L685 HydrophobicContact CG-CD1 4.49Å; W681-L685 HydrophobicContact CH2-CD2 4.44Å; W681-L685 HydrophobicContact CZ2-CD1 4.35Å; W681-L685 HydrophobicContact CZ2-CD2 3.89Å; W681-L685 HydrophobicContact CZ2-CG 4.1Å; W681-L685 WeakPolarHBondContact O-CG 3.41Å; W681-L685 PolarHBondContact O-N 3.26Å; W681-D729 PolarHBondContact NE1-OD1 2.85Å; W681-V732 HydrophobicContact CD2-CG1 4.17Å; W681-V732 HydrophobicContact CE3-CG1 4.28Å; W681-V732 HydrophobicContact CH2-CB 4Å; W681-V732 HydrophobicContact CH2-CG1 4.18Å; W681-V732 HydrophobicContact CH2-CG2 3.6Å; W681-V732 HydrophobicContact CZ2-CB 3.77Å; W681-V732 HydrophobicContact CZ2-CG1 4.03Å; W681-V732 HydrophobicContact CZ2-CG2 3.88Å; W681-V732 HydrophobicContact CZ3-CG1 4.29Å; W681-V732 HydrophobicContact CZ3-CG2 4.17Å; W681-V734 HydrophobicContact CB-CG1 4.06Å; W681-V734 HydrophobicContact CG-CB 4.2Å; W681-V734 HydrophobicContact CG-CG1 4.07Å
682	S	89.7	Confident	84.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-40.9	176.7	-62.2	0	0	0	0	112.9	L600 V678 L679 F680 L685 F686 P889	L600-S682 VanDerWaalsContact CD2-CB 3.49Å; V678-S682 VanDerWaalsContact O-CB 3.28Å; V678-S682 WeakPolarHBondContact O-CB 3.22Å; V678-S682 PolarHBondContact O-N 3.11Å; V678-S682 PolarHBondContact O-OG 3.06Å; L679-S682 PolarHBondContact O-N 3.47Å; F680-S682 VanDerWaalsContact C-N 3.33Å; F680-S682 PolarHBondContact O-N 2.82Å; S682-L685 PolarHBondContact O-N 3.13Å; S682-F686 WeakPolarHBondContact O-CB 3.44Å; S682-F686 PolarHBondContact O-N 2.92Å; S682-P889 WeakPolarHBondContact O-CB 3.12Å
683	I	91.3	Very high	85.9	Confident	59 Å²	59	50.8 Å²	50.8	30%	0.303	26%	0.259	S	S	.	.	H	α-helix	trans	-65	-42.1	175.2	-69.1	167.3	0	0	0	110.7	L597 L679 F680 F686 F687	L597-I683 HydrophobicContact CD1-CG1 4.13Å; L679-I683 HydrophobicContact CD1-CD1 3.89Å; L679-I683 HydrophobicContact CD1-CG1 4.23Å; L679-I683 HydrophobicContact CG-CD1 3.96Å; L679-I683 WeakPolarHBondContact O-CG1 3.16Å; L679-I683 PolarHBondContact O-N 2.85Å; F680-I683 PolarHBondContact O-N 2.82Å; I683-F686 PolarHBondContact O-N 3.48Å; I683-F687 HydrophobicContact CG2-CD2 3.8Å; I683-F687 HydrophobicContact CG2-CE2 3.96Å; I683-F687 WeakPolarHBondContact O-CD2 3.48Å; I683-F687 PolarHBondContact O-N 3.39Å
684	I	93.1	Very high	86.9	Confident	93 Å²	93	49.7 Å²	49.7	48%	0.477	25%	0.254	S	S	.	.	H	α-helix	trans	-60.8	-50.9	175.7	-70.5	164.1	0	0	0	110.3	F680 W681 F686 S688	F680-I684 WeakPolarHBondContact O-CD1 3.5Å; F680-I684 VanDerWaalsContact O-CG1 3.26Å; F680-I684 WeakPolarHBondContact O-CG1 3.4Å; F680-I684 PolarHBondContact O-N 2.93Å; W681-I684 HydrophobicContact CE3-CG2 4.41Å; W681-I684 HydrophobicContact CZ3-CG2 4.21Å; W681-I684 PolarHBondContact O-N 3.34Å; I684-F686 VanDerWaalsContact C-N 3.33Å; I684-F686 PolarHBondContact O-N 2.9Å; I684-S688 WeakPolarHBondContact O-CB 3.38Å; I684-S688 PolarHBondContact O-N 3.21Å
685	L	92	Very high	88	Confident	2 Å²	2	53 Å²	53	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-58.3	-43.3	177.3	-76.3	174.8	0	0	0	112.2	W681 S682 T689 M725 D729 P887 P889 V890	W681-L685 HydrophobicContact CD2-CG 4.39Å; W681-L685 HydrophobicContact CG-CD1 4.49Å; W681-L685 HydrophobicContact CH2-CD2 4.44Å; W681-L685 HydrophobicContact CZ2-CD1 4.35Å; W681-L685 HydrophobicContact CZ2-CD2 3.89Å; W681-L685 HydrophobicContact CZ2-CG 4.1Å; W681-L685 WeakPolarHBondContact O-CG 3.41Å; W681-L685 PolarHBondContact O-N 3.26Å; S682-L685 PolarHBondContact O-N 3.13Å; L685-T689 VanDerWaalsContact O-CB 3.26Å; L685-T689 WeakPolarHBondContact O-CB 3.25Å; L685-T689 PolarHBondContact O-N 3.28Å; L685-T689 PolarHBondContact O-OG1 2.97Å; L685-M725 HydrophobicContact CD2-CB 4.3Å; L685-M725 HydrophobicContact CD2-SD 4.48Å; L685-D729 HydrophobicContact CD1-CB 4.28Å; L685-P887 HydrophobicContact CD1-CB 4.44Å; L685-P887 HydrophobicContact CD1-CG 4.27Å; L685-P889 HydrophobicContact CB-CB 4.25Å; L685-V890 HydrophobicContact CB-CG2 4.06Å; L685-V890 HydrophobicContact CD1-CG2 4.46Å; L685-V890 HydrophobicContact CD2-CG2 4.08Å; L685-V890 HydrophobicContact CG-CG2 4.45Å
686	F	92.3	Very high	89.1	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.2	-57.5	178.7	175.4	-94.7	0	0	0	112.3	A593 L594 L597 S682 I683 I684 T689 F690 Y892 G893 L896	A593-F686 HydrophobicContact CB-CE2 4.48Å; L594-F686 HydrophobicContact CD2-CE1 4.24Å; L594-F686 HydrophobicContact CD2-CZ 4.11Å; L597-F686 HydrophobicContact CD1-CB 4.22Å; L597-F686 HydrophobicContact CD1-CD2 4.47Å; L597-F686 HydrophobicContact CD1-CG 4.22Å; L597-F686 HydrophobicContact CD2-CD1 3.65Å; L597-F686 HydrophobicContact CD2-CD2 4.46Å; L597-F686 HydrophobicContact CD2-CE1 3.78Å; L597-F686 HydrophobicContact CD2-CG 4.02Å; L597-F686 HydrophobicContact CD2-CZ 4.24Å; S682-F686 WeakPolarHBondContact O-CB 3.44Å; S682-F686 PolarHBondContact O-N 2.92Å; I683-F686 PolarHBondContact O-N 3.48Å; I684-F686 VanDerWaalsContact C-N 3.33Å; I684-F686 PolarHBondContact O-N 2.9Å; F686-T689 PolarHBondContact O-N 3.46Å; F686-F690 PolarHBondContact O-N 3.31Å; F686-Y892 VanDerWaalsContact CE2-C 3.46Å; F686-Y892 WeakPolarHBondContact CE2-O 3.31Å; F686-G893 WeakPolarHBondContact O-CA 3.25Å; F686-L896 HydrophobicContact CE1-CD2 3.71Å; F686-L896 HydrophobicContact CE2-CB 4.47Å; F686-L896 HydrophobicContact CZ-CB 4.09Å; F686-L896 HydrophobicContact CZ-CD2 3.68Å; F686-L896 HydrophobicContact CZ-CG 4.39Å
687	F	94.6	Very high	89.9	Confident	81 Å²	81	49.4 Å²	49.4	36%	0.355	24%	0.238	S	C	.	.	H	α-helix	trans	-71.4	-38	-177.6	-76.8	-66.5	0	0	0	112.4	L597 I683 T689 F690 F691	L597-F687 HydrophobicContact CD2-CE2 4.39Å; I683-F687 HydrophobicContact CG2-CD2 3.8Å; I683-F687 HydrophobicContact CG2-CE2 3.96Å; I683-F687 WeakPolarHBondContact O-CD2 3.48Å; I683-F687 PolarHBondContact O-N 3.39Å; F687-T689 VanDerWaalsContact C-N 3.32Å; F687-T689 PolarHBondContact O-N 3.07Å; F687-F690 WeakPolarHBondContact O-CB 3.28Å; F687-F690 PolarHBondContact O-N 3.49Å; F687-F691 HydrophobicContact CB-CD2 4.23Å; F687-F691 HydrophobicContact CB-CE2 4.1Å; F687-F691 HydrophobicContact CD1-CE2 4.26Å; F687-F691 WeakPolarHBondContact O-CD2 3.24Å; F687-F691 PolarHBondContact O-N 3.4Å
688	S	94.3	Very high	90.1	Very high	41 Å²	41	50 Å²	50	29%	0.287	24%	0.237	S	C	.	.	H	α-helix	trans	-60.6	-41.8	176.3	-170.3	0	0	0	0	111.4	I684 F690 F691 M692 M725	I684-S688 WeakPolarHBondContact O-CB 3.38Å; I684-S688 PolarHBondContact O-N 3.21Å; S688-F690 PolarHBondContact O-N 2.84Å; S688-F691 PolarHBondContact O-N 2.86Å; S688-M692 WeakPolarHBondContact O-CB 3.27Å; S688-M692 PolarHBondContact O-N 2.96Å; S688-M725 WeakPolarHBondContact OG-CE 3.39Å
689	T	92.8	Very high	90.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-44.2	174	-59.2	0	0	0	0	112.2	L685 F686 F687 S693 T721 M725 V890 V894	L685-T689 VanDerWaalsContact O-CB 3.26Å; L685-T689 WeakPolarHBondContact O-CB 3.25Å; L685-T689 PolarHBondContact O-N 3.28Å; L685-T689 PolarHBondContact O-OG1 2.97Å; F686-T689 PolarHBondContact O-N 3.46Å; F687-T689 VanDerWaalsContact C-N 3.32Å; F687-T689 PolarHBondContact O-N 3.07Å; T689-S693 VanDerWaalsContact O-CB 3.26Å; T689-S693 WeakPolarHBondContact O-CB 3.41Å; T689-S693 PolarHBondContact O-N 3.41Å; T689-S693 PolarHBondContact O-OG 3.46Å; T689-T721 HydrophobicContact CG2-CG2 3.95Å; T689-M725 WeakPolarHBondContact OG1-CG 3.31Å; T689-V890 HydrophobicContact CG2-CG1 3.99Å; T689-V890 WeakPolarHBondContact CG2-O 3.42Å; T689-V894 HydrophobicContact CG2-CG2 3.59Å
690	F	92.8	Very high	89.8	Confident	44 Å²	44	52 Å²	52	19%	0.193	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-51.5	177.4	170.5	-99.7	0	0	0	112.1	F686 F687 S688 S693 A694 L896 A900	F686-F690 PolarHBondContact O-N 3.31Å; F687-F690 WeakPolarHBondContact O-CB 3.28Å; F687-F690 PolarHBondContact O-N 3.49Å; S688-F690 PolarHBondContact O-N 2.84Å; F690-S693 PolarHBondContact O-N 3.02Å; F690-A694 WeakPolarHBondContact O-CB 3.27Å; F690-A694 PolarHBondContact O-N 2.75Å; F690-L896 HydrophobicContact CB-CD2 4.28Å; F690-L896 HydrophobicContact CD1-CD2 4.49Å; F690-L896 HydrophobicContact CD2-CB 4.21Å; F690-L896 HydrophobicContact CD2-CD2 3.79Å; F690-L896 HydrophobicContact CD2-CG 3.75Å; F690-L896 HydrophobicContact CE2-CD2 4.24Å; F690-L896 HydrophobicContact CE2-CG 4.01Å; F690-L896 HydrophobicContact CG-CD2 3.93Å; F690-L896 HydrophobicContact CG-CG 4.39Å; F690-A900 HydrophobicContact CE2-CB 3.97Å; F690-A900 HydrophobicContact CZ-CB 4.49Å
691	F	94.3	Very high	89.1	Confident	130 Å²	130	52.6 Å²	52.6	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-67.7	-41.4	-177.9	-71.8	-60.6	0	0	0	112.5	F687 S688 A694 F695	F687-F691 HydrophobicContact CB-CD2 4.23Å; F687-F691 HydrophobicContact CB-CE2 4.1Å; F687-F691 HydrophobicContact CD1-CE2 4.26Å; F687-F691 WeakPolarHBondContact O-CD2 3.24Å; F687-F691 PolarHBondContact O-N 3.4Å; S688-F691 PolarHBondContact O-N 2.86Å; F691-A694 PolarHBondContact O-N 3.07Å; F691-F695 WeakPolarHBondContact O-CB 3.09Å; F691-F695 PolarHBondContact O-N 3.07Å
692	M	93.3	Very high	88.5	Confident	67 Å²	67	52 Å²	52	33%	0.33	26%	0.261	S	S	.	.	H	α-helix	trans	-64.4	-43.5	176.9	-172.9	67.5	74.6	0	0	111.5	S688 A694 F695 L696 T721 M725	S688-M692 WeakPolarHBondContact O-CB 3.27Å; S688-M692 PolarHBondContact O-N 2.96Å; M692-A694 VanDerWaalsContact C-N 3.33Å; M692-A694 PolarHBondContact O-N 2.89Å; M692-F695 PolarHBondContact O-N 3.44Å; M692-L696 HydrophobicContact CG-CD1 3.99Å; M692-L696 HydrophobicContact CG-CG 4.42Å; M692-L696 WeakPolarHBondContact O-CB 3.46Å; M692-L696 WeakPolarHBondContact O-CG 3.44Å; M692-L696 PolarHBondContact O-N 3.45Å; M692-L696 HydrophobicContact SD-CD1 4.28Å; M692-L696 HydrophobicContact SD-CG 4.29Å; M692-T721 HydrophobicContact CB-CG2 3.7Å; M692-T721 HydrophobicContact CG-CG2 3.81Å; M692-M725 HydrophobicContact CB-CE 4.04Å; M692-M725 HydrophobicContact CE-CE 4.2Å; M692-M725 HydrophobicContact CG-CE 4.21Å
693	S	89.7	Confident	87.9	Confident	0 Å²	0	63 Å²	63	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-43.2	174.5	-60.7	0	0	0	0	111.6	T689 F690 K697	T689-S693 VanDerWaalsContact O-CB 3.26Å; T689-S693 WeakPolarHBondContact O-CB 3.41Å; T689-S693 PolarHBondContact O-N 3.41Å; T689-S693 PolarHBondContact O-OG 3.46Å; F690-S693 PolarHBondContact O-N 3.02Å; S693-K697 WeakPolarHBondContact O-CB 3.26Å; S693-K697 PolarHBondContact O-N 3.32Å
694	A	89.1	Confident	87.2	Confident	20 Å²	20	68.7 Å²	68.7	17%	0.165	32%	0.321	C	S	.	.	H	α-helix	trans	-66.3	-40.3	177.3	0	0	0	0	0	112.9	F690 F691 M692 Q698 Y897	F690-A694 WeakPolarHBondContact O-CB 3.27Å; F690-A694 PolarHBondContact O-N 2.75Å; F691-A694 PolarHBondContact O-N 3.07Å; M692-A694 VanDerWaalsContact C-N 3.33Å; M692-A694 PolarHBondContact O-N 2.89Å; A694-Q698 WeakPolarHBondContact O-CB 3.25Å; A694-Q698 VanDerWaalsContact O-CG 3.27Å; A694-Q698 WeakPolarHBondContact O-CG 3.11Å; A694-Q698 PolarHBondContact O-N 2.98Å; A694-Y897 HydrophobicContact CB-CD2 4.38Å; A694-Y897 HydrophobicContact CB-CE2 4.39Å
695	F	91	Very high	86.6	Confident	128 Å²	128	70.5 Å²	70.5	56%	0.561	33%	0.326	S	S	*	.	H	α-helix	trans	-66.8	-51.5	177.6	176.6	-102	0	0	0	111.6	F691 M692 K697 Q698 F699	F691-F695 WeakPolarHBondContact O-CB 3.09Å; F691-F695 PolarHBondContact O-N 3.07Å; M692-F695 PolarHBondContact O-N 3.44Å; F695-K697 PolarHBondContact O-N 3.3Å; F695-Q698 CarbonylContact O-C 3.59Å; F695-Q698 PolarHBondContact O-N 2.74Å; F695-Q698 VanDerWaalsContact O-N 3.14Å; F695-F699 PolarHBondContact O-N 3.32Å
696	L	88.7	Confident	86.1	Confident	21 Å²	21	74.5 Å²	74.5	11%	0.11	35%	0.352	C	S	.	.	H	α-helix	trans	-62.7	-29.6	177.7	-69.5	174.9	0	0	0	112.2	M692 F699 I713 A717 L720	M692-L696 HydrophobicContact CG-CD1 3.99Å; M692-L696 HydrophobicContact CG-CG 4.42Å; M692-L696 WeakPolarHBondContact O-CB 3.46Å; M692-L696 WeakPolarHBondContact O-CG 3.44Å; M692-L696 PolarHBondContact O-N 3.45Å; M692-L696 HydrophobicContact SD-CD1 4.28Å; M692-L696 HydrophobicContact SD-CG 4.29Å; L696-F699 VanDerWaalsContact O-CB 3.25Å; L696-F699 WeakPolarHBondContact O-CB 3.31Å; L696-I713 HydrophobicContact CD2-CG2 3.87Å; L696-A717 HydrophobicContact CB-CB 3.53Å; L696-L720 HydrophobicContact CD1-CD2 4.14Å; L696-L720 HydrophobicContact CD1-CG 4.48Å
697	K	83.7	Confident	85.1	Confident	67 Å²	67	79 Å²	79	29%	0.291	38%	0.379	S	S	.	.	H	α-helix	trans	-73.2	-44.6	171.6	-154	74.5	-169.7	154.7	0	112.3	S693 F695 F699 K700 S714 D715 A717 Y897	S693-K697 WeakPolarHBondContact O-CB 3.26Å; S693-K697 PolarHBondContact O-N 3.32Å; F695-K697 PolarHBondContact O-N 3.3Å; K697-F699 PolarHBondContact O-N 3Å; K697-K700 WeakPolarHBondContact O-CB 3.41Å; K697-K700 PolarHBondContact O-N 3.43Å; K697-K700 VanDerWaalsContact O-N 3.1Å; K697-S714 WeakPolarHBondContact CD-O 3.41Å; K697-S714 WeakPolarHBondContact CD-OG 3.33Å; K697-S714 PolarHBondContact NZ-O 2.9Å; K697-S714 PolarHBondContact NZ-OG 3.45Å; K697-S714 PolarHBondContact O-OG 3.5Å; K697-D715 IonicContact NZ-OD1 2.77Å; K697-A717 HydrophobicContact CD-CB 4.32Å; K697-Y897 WeakPolarHBondContact CB-OH 3.31Å; K697-Y897 WeakPolarHBondContact CG-OH 3.44Å
698	Q	83.2	Confident	84	Confident	119 Å²	119	82.5 Å²	82.5	56%	0.556	39%	0.394	S	S	*	.	H	α-helix	trans	-63	-23.9	174.8	-75.4	175.7	48.8	0	0	113.4	A694 F695 K700 T701	A694-Q698 WeakPolarHBondContact O-CB 3.25Å; A694-Q698 VanDerWaalsContact O-CG 3.27Å; A694-Q698 WeakPolarHBondContact O-CG 3.11Å; A694-Q698 PolarHBondContact O-N 2.98Å; F695-Q698 CarbonylContact O-C 3.59Å; F695-Q698 PolarHBondContact O-N 2.74Å; F695-Q698 VanDerWaalsContact O-N 3.14Å; Q698-K700 PolarHBondContact O-N 2.83Å; Q698-T701 PolarHBondContact O-N 2.78Å; Q698-T701 PolarHBondContact O-OG1 3.25Å; Q698-T701 VanDerWaalsContact O-OG1 3.1Å
699	F	83.6	Confident	83.3	Confident	26 Å²	26	83.5 Å²	83.5	11%	0.114	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-51.6	-26.6	170.8	-162.6	-102.1	0	0	0	112.4	F695 L696 K697 T701 S702 F705 R710 I713	F695-F699 PolarHBondContact O-N 3.32Å; L696-F699 VanDerWaalsContact O-CB 3.25Å; L696-F699 WeakPolarHBondContact O-CB 3.31Å; K697-F699 PolarHBondContact O-N 3Å; F699-T701 PolarHBondContact O-N 2.93Å; F699-T701 VanDerWaalsContact O-N 3.17Å; F699-S702 WeakPolarHBondContact O-CB 3.28Å; F699-S702 PolarHBondContact O-N 2.9Å; F699-F705 HydrophobicContact CE1-CD2 4.21Å; F699-F705 HydrophobicContact CE2-CD2 4.02Å; F699-F705 HydrophobicContact CE2-CE2 4.15Å; F699-F705 HydrophobicContact CZ-CB 4.43Å; F699-F705 AromaticContact CZ-CD2 3.32Å; F699-F705 HydrophobicContact CZ-CD2 3.32Å; F699-F705 AromaticContact CZ-CE2 3.71Å; F699-F705 HydrophobicContact CZ-CE2 3.71Å; F699-F705 HydrophobicContact CZ-CG 4.01Å; F699-R710 HydrophobicContact CD1-CG 4.32Å; F699-R710 VanDerWaalsContact O-CD 3.24Å; F699-R710 WeakPolarHBondContact O-CD 3.12Å; F699-R710 WeakPolarHBondContact O-CG 3.39Å; F699-I713 HydrophobicContact CD1-CB 4.1Å; F699-I713 HydrophobicContact CD1-CG2 3.84Å; F699-I713 HydrophobicContact CE1-CB 4.16Å; F699-I713 HydrophobicContact CE1-CD1 3.85Å; F699-I713 HydrophobicContact CE1-CG2 4.09Å; F699-I713 HydrophobicContact CG-CG2 4.45Å; F699-I713 HydrophobicContact CZ-CD1 4.35Å
700	K	77.7	Confident	82.8	Confident	37 Å²	37	86.2 Å²	86.2	16%	0.161	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-56.4	-29.5	173.9	-153	-177.7	-178.5	-173.1	0	113.9	K697 Q698 R710 S714 E844	K697-K700 WeakPolarHBondContact O-CB 3.41Å; K697-K700 PolarHBondContact O-N 3.43Å; K697-K700 VanDerWaalsContact O-N 3.1Å; Q698-K700 PolarHBondContact O-N 2.83Å; K700-R710 WeakPolarHBondContact O-CD 3.08Å; K700-R710 VanDerWaalsContact O-CZ 3.29Å; K700-R710 PolarHBondContact O-NE 3.4Å; K700-R710 PolarHBondContact O-NH1 3.08Å; K700-S714 WeakPolarHBondContact CB-OG 3.19Å; K700-E844 WeakPolarHBondContact CE-OE2 3.31Å; K700-E844 IonicContact NZ-OE1 3.05Å; K700-E844 PolarHBondContact NZ-OE1 2.88Å; K700-E844 IonicContact NZ-OE2 2.85Å; K700-E844 PolarHBondContact NZ-OE2 2.74Å
701	T	72.9	Confident	81.9	Confident	128 Å²	128	86 Å²	86	79%	0.785	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-102.2	6.6	177.2	54.7	0	0	0	0	112.9	Q698 F699	Q698-T701 PolarHBondContact O-N 2.78Å; Q698-T701 PolarHBondContact O-OG1 3.25Å; Q698-T701 VanDerWaalsContact O-OG1 3.1Å; F699-T701 PolarHBondContact O-N 2.93Å; F699-T701 VanDerWaalsContact O-N 3.17Å
702	S	78.5	Confident	81.2	Confident	29 Å²	29	83.2 Å²	83.2	20%	0.203	40%	0.402	C	S	.	.			trans	-65.1	145.5	175	-173.2	0	0	0	0	111.6	F699 Y704 R710	F699-S702 WeakPolarHBondContact O-CB 3.28Å; F699-S702 PolarHBondContact O-N 2.9Å; S702-Y704 VanDerWaalsContact C-N 3.32Å; S702-Y704 WeakPolarHBondContact OG-CD2 3.37Å; S702-Y704 PolarHBondContact OG-N 3.32Å; S702-R710 WeakPolarHBondContact O-CD 3.43Å; S702-R710 PolarHBondContact O-NE 2.96Å
703	R	77.9	Confident	80.7	Confident	231 Å²	231	82.3 Å²	82.3	87%	0.872	40%	0.398	S	S	*	.	S	Bend	trans	-82.6	-12.5	171.1	-64	179.6	179.9	163.3	-0.2	112.5
704	Y	76.9	Confident	80.3	Confident	178 Å²	178	82.4 Å²	82.4	70%	0.698	40%	0.399	S	S	*	.	S	Bend	trans	-83	143.3	176.2	-52.5	-67.4	0	0	0	110.2	S702	S702-Y704 VanDerWaalsContact C-N 3.32Å; S702-Y704 WeakPolarHBondContact OG-CD2 3.37Å; S702-Y704 PolarHBondContact OG-N 3.32Å
705	F	80.4	Confident	79.8	Confident	132 Å²	132	82.9 Å²	82.9	58%	0.579	40%	0.399	S	S	*	.	S	Bend	trans	72.8	153.5	-179.5	-59.5	-95.8	0	0	0	117.4	F699 V709	F699-F705 HydrophobicContact CE1-CD2 4.21Å; F699-F705 HydrophobicContact CE2-CD2 4.02Å; F699-F705 HydrophobicContact CE2-CE2 4.15Å; F699-F705 HydrophobicContact CZ-CB 4.43Å; F699-F705 AromaticContact CZ-CD2 3.32Å; F699-F705 HydrophobicContact CZ-CD2 3.32Å; F699-F705 AromaticContact CZ-CE2 3.71Å; F699-F705 HydrophobicContact CZ-CE2 3.71Å; F699-F705 HydrophobicContact CZ-CG 4.01Å; F705-V709 HydrophobicContact CB-CG1 4.46Å; F705-V709 HydrophobicContact CD1-CG1 4.37Å
706	P	80	Confident	79.4	Confident	86 Å²	86	78.9 Å²	78.9	56%	0.558	38%	0.381	S	S	*	.			trans	-60.7	149.3	175.1	-23	34.2	0	0	0	113.2	K708 V709 R710	P706-K708 VanDerWaalsContact C-N 3.31Å; P706-K708 PolarHBondContact O-N 3.07Å; P706-V709 HydrophobicContact CB-CG2 4.47Å; P706-V709 PolarHBondContact O-N 3.32Å; P706-V709 VanDerWaalsContact O-N 3.08Å; P706-R710 WeakPolarHBondContact O-CB 3.18Å; P706-R710 PolarHBondContact O-N 3.43Å
707	T	71.3	Confident	79.3	Confident	93 Å²	93	78 Å²	78	57%	0.571	38%	0.376	S	S	*	.	H	α-helix	trans	-51.1	-43.6	-177	56.6	0	0	0	0	113.8	R710 S711	T707-R710 PolarHBondContact O-N 2.77Å; T707-S711 PolarHBondContact O-N 3.28Å
708	K	71.9	Confident	79.3	Confident	155 Å²	155	75.1 Å²	75.1	67%	0.674	37%	0.365	S	S	*	.	H	α-helix	trans	-63.8	-45.9	178.2	-65.2	-167.9	175.3	-171.1	0	112.8	P706 R710 S711 M712	P706-K708 VanDerWaalsContact C-N 3.31Å; P706-K708 PolarHBondContact O-N 3.07Å; K708-R710 VanDerWaalsContact C-N 3.35Å; K708-S711 PolarHBondContact O-N 3.07Å; K708-M712 WeakPolarHBondContact O-CB 3.45Å; K708-M712 VanDerWaalsContact O-CG 3.27Å; K708-M712 WeakPolarHBondContact O-CG 3.21Å; K708-M712 PolarHBondContact O-N 3.39Å
709	V	80.4	Confident	79.4	Confident	62 Å²	62	72.5 Å²	72.5	38%	0.376	35%	0.352	S	S	.	.	H	α-helix	trans	-65.4	-42.3	177.8	178.6	0	0	0	0	110.2	F705 P706 M712 I713	F705-V709 HydrophobicContact CB-CG1 4.46Å; F705-V709 HydrophobicContact CD1-CG1 4.37Å; P706-V709 HydrophobicContact CB-CG2 4.47Å; P706-V709 PolarHBondContact O-N 3.32Å; P706-V709 VanDerWaalsContact O-N 3.08Å; V709-M712 PolarHBondContact O-N 3.03Å; V709-I713 HydrophobicContact CG1-CD1 3.74Å; V709-I713 HydrophobicContact CG1-CG1 4.41Å; V709-I713 WeakPolarHBondContact O-CG1 3.39Å; V709-I713 PolarHBondContact O-N 2.94Å
710	R	80.9	Confident	79.6	Confident	58 Å²	58	74.7 Å²	74.7	22%	0.219	36%	0.364	C	S	.	.	H	α-helix	trans	-61	-42.6	177	178.6	170.1	60.8	56.3	-1.9	113.1	F699 K700 S702 P706 T707 K708 S714	F699-R710 HydrophobicContact CD1-CG 4.32Å; F699-R710 VanDerWaalsContact O-CD 3.24Å; F699-R710 WeakPolarHBondContact O-CD 3.12Å; F699-R710 WeakPolarHBondContact O-CG 3.39Å; K700-R710 WeakPolarHBondContact O-CD 3.08Å; K700-R710 VanDerWaalsContact O-CZ 3.29Å; K700-R710 PolarHBondContact O-NE 3.4Å; K700-R710 PolarHBondContact O-NH1 3.08Å; S702-R710 WeakPolarHBondContact O-CD 3.43Å; S702-R710 PolarHBondContact O-NE 2.96Å; P706-R710 WeakPolarHBondContact O-CB 3.18Å; P706-R710 PolarHBondContact O-N 3.43Å; T707-R710 PolarHBondContact O-N 2.77Å; K708-R710 VanDerWaalsContact C-N 3.35Å; R710-S714 WeakPolarHBondContact O-CB 3.33Å; R710-S714 PolarHBondContact O-N 2.61Å
711	S	74.6	Confident	80.2	Confident	39 Å²	39	72.9 Å²	72.9	27%	0.273	36%	0.356	S	S	.	.	H	α-helix	trans	-65.8	-52.3	174.2	-156.8	0	0	0	0	110.6	T707 K708 I713 S714 D715	T707-S711 PolarHBondContact O-N 3.28Å; K708-S711 PolarHBondContact O-N 3.07Å; S711-I713 VanDerWaalsContact C-N 3.34Å; S711-I713 PolarHBondContact O-N 3.43Å; S711-S714 CarbonylContact O-C 3.4Å; S711-S714 WeakPolarHBondContact O-CA 3.36Å; S711-S714 WeakPolarHBondContact O-CB 3.45Å; S711-S714 PolarHBondContact O-N 3.45Å; S711-D715 WeakPolarHBondContact O-CB 3.13Å; S711-D715 PolarHBondContact O-N 3.35Å; S711-D715 PolarHBondContact OG-OD2 2.81Å
712	M	78.6	Confident	81	Confident	71 Å²	71	67.2 Å²	67.2	35%	0.35	32%	0.321	S	S	.	.	H	α-helix	trans	-51.7	-49.6	179.9	-73.9	-68.3	-68.9	0	0	112.6	L460 K708 V709 S714 D715 F716	L460-M712 HydrophobicContact CD2-CE 3.6Å; L460-M712 HydrophobicContact CD2-SD 3.57Å; L460-M712 VanDerWaalsContact CD2-SD 3.57Å; L460-M712 HydrophobicContact CG-CE 4.09Å; L460-M712 HydrophobicContact CG-SD 4.11Å; K708-M712 WeakPolarHBondContact O-CB 3.45Å; K708-M712 VanDerWaalsContact O-CG 3.27Å; K708-M712 WeakPolarHBondContact O-CG 3.21Å; K708-M712 PolarHBondContact O-N 3.39Å; V709-M712 PolarHBondContact O-N 3.03Å; M712-S714 VanDerWaalsContact C-N 3.33Å; M712-S714 PolarHBondContact O-N 3.23Å; M712-D715 PolarHBondContact O-N 3.46Å; M712-F716 HydrophobicContact CE-CD2 4.14Å; M712-F716 HydrophobicContact CE-CE2 3.58Å; M712-F716 WeakPolarHBondContact O-CD2 3.43Å; M712-F716 PolarHBondContact O-N 3.11Å; M712-F716 HydrophobicContact SD-CE2 4.28Å
713	I	84.1	Confident	81.5	Confident	49 Å²	49	68.5 Å²	68.5	25%	0.251	33%	0.327	S	S	.	.	H	α-helix	trans	-63.6	-38.8	179.1	-68.9	173.2	0	0	0	111.6	L696 F699 V709 S711 A717	L696-I713 HydrophobicContact CD2-CG2 3.87Å; F699-I713 HydrophobicContact CD1-CB 4.1Å; F699-I713 HydrophobicContact CD1-CG2 3.84Å; F699-I713 HydrophobicContact CE1-CB 4.16Å; F699-I713 HydrophobicContact CE1-CD1 3.85Å; F699-I713 HydrophobicContact CE1-CG2 4.09Å; F699-I713 HydrophobicContact CG-CG2 4.45Å; F699-I713 HydrophobicContact CZ-CD1 4.35Å; V709-I713 HydrophobicContact CG1-CD1 3.74Å; V709-I713 HydrophobicContact CG1-CG1 4.41Å; V709-I713 WeakPolarHBondContact O-CG1 3.39Å; V709-I713 PolarHBondContact O-N 2.94Å; S711-I713 VanDerWaalsContact C-N 3.34Å; S711-I713 PolarHBondContact O-N 3.43Å; I713-A717 WeakPolarHBondContact O-CA 3.22Å; I713-A717 PolarHBondContact O-N 3.06Å
714	S	80.8	Confident	82.1	Confident	1 Å²	1	60 Å²	60	1%	0.007	30%	0.301	C	S	.	.	H	α-helix	trans	-68.1	-37	175.6	-172.1	0	0	0	0	112.6	K697 K700 R710 S711 M712 A717	K697-S714 WeakPolarHBondContact CD-O 3.41Å; K697-S714 WeakPolarHBondContact CD-OG 3.33Å; K697-S714 PolarHBondContact NZ-O 2.9Å; K697-S714 PolarHBondContact NZ-OG 3.45Å; K697-S714 PolarHBondContact O-OG 3.5Å; K700-S714 WeakPolarHBondContact CB-OG 3.19Å; R710-S714 WeakPolarHBondContact O-CB 3.33Å; R710-S714 PolarHBondContact O-N 2.61Å; S711-S714 CarbonylContact O-C 3.4Å; S711-S714 WeakPolarHBondContact O-CA 3.36Å; S711-S714 WeakPolarHBondContact O-CB 3.45Å; S711-S714 PolarHBondContact O-N 3.45Å; M712-S714 VanDerWaalsContact C-N 3.33Å; M712-S714 PolarHBondContact O-N 3.23Å; S714-A717 WeakPolarHBondContact O-CB 3.34Å; S714-A717 PolarHBondContact O-N 3.3Å
715	D	78.7	Confident	82.9	Confident	31 Å²	31	51.7 Å²	51.7	17%	0.166	27%	0.269	C	S	.	.	H	α-helix	trans	-74.2	-34.9	-176.5	-62.5	-33.6	0	0	0	111.2	A464 K697 S711 M712	A464-D715 HydrophobicContact CB-CB 4.16Å; K697-D715 IonicContact NZ-OD1 2.77Å; S711-D715 WeakPolarHBondContact O-CB 3.13Å; S711-D715 PolarHBondContact O-N 3.35Å; S711-D715 PolarHBondContact OG-OD2 2.81Å; M712-D715 PolarHBondContact O-N 3.46Å
716	F	83	Confident	83.3	Confident	44 Å²	44	46.7 Å²	46.7	19%	0.193	25%	0.249	C	C	.	.	S	Bend	trans	-86.5	-0.1	171.4	-74.9	-85.2	0	0	0	114.9	A464 L467 M712 V718 F719 L720	A464-F716 HydrophobicContact CB-CD1 4.04Å; A464-F716 HydrophobicContact CB-CD2 3.81Å; A464-F716 HydrophobicContact CB-CE1 3.82Å; A464-F716 HydrophobicContact CB-CE2 3.55Å; A464-F716 HydrophobicContact CB-CG 4.05Å; A464-F716 HydrophobicContact CB-CZ 3.56Å; L467-F716 HydrophobicContact CD1-CE1 4.2Å; M712-F716 HydrophobicContact CE-CD2 4.14Å; M712-F716 HydrophobicContact CE-CE2 3.58Å; M712-F716 WeakPolarHBondContact O-CD2 3.43Å; M712-F716 PolarHBondContact O-N 3.11Å; M712-F716 HydrophobicContact SD-CE2 4.28Å; F716-V718 PolarHBondContact O-N 2.75Å; F716-V718 VanDerWaalsContact O-N 3.17Å; F716-F719 HydrophobicContact CD1-CD1 4.35Å; F716-F719 PolarHBondContact O-N 3.13Å; F716-F719 VanDerWaalsContact O-N 3.14Å; F716-L720 WeakPolarHBondContact O-CB 3.39Å; F716-L720 PolarHBondContact O-N 2.9Å
717	A	85.6	Confident	83.8	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-47.2	-50	-168	0	0	0	0	0	115.5	L696 K697 I713 S714 T721	L696-A717 HydrophobicContact CB-CB 3.53Å; K697-A717 HydrophobicContact CD-CB 4.32Å; I713-A717 WeakPolarHBondContact O-CA 3.22Å; I713-A717 PolarHBondContact O-N 3.06Å; S714-A717 WeakPolarHBondContact O-CB 3.34Å; S714-A717 PolarHBondContact O-N 3.3Å; A717-T721 WeakPolarHBondContact O-CB 3.08Å; A717-T721 PolarHBondContact O-N 3.43Å; A717-T721 PolarHBondContact O-OG1 3.46Å
718	V	83.7	Confident	84.8	Confident	8 Å²	8	46.9 Å²	46.9	5%	0.048	24%	0.241	C	C	.	.	H	α-helix	trans	-72.9	-42.9	-176.7	-176	0	0	0	0	111.1	F468 F716 T721 I722 V894 Y897	F468-V718 HydrophobicContact CD2-CB 3.59Å; F468-V718 HydrophobicContact CD2-CG1 3.7Å; F468-V718 HydrophobicContact CD2-CG2 4.11Å; F468-V718 HydrophobicContact CE2-CB 3.85Å; F468-V718 HydrophobicContact CE2-CG1 3.72Å; F468-V718 HydrophobicContact CE2-CG2 3.95Å; F468-V718 HydrophobicContact CG-CB 4.41Å; F716-V718 PolarHBondContact O-N 2.75Å; F716-V718 VanDerWaalsContact O-N 3.17Å; V718-T721 WeakPolarHBondContact O-CB 3.35Å; V718-T721 PolarHBondContact O-N 3.33Å; V718-I722 HydrophobicContact CG1-CD1 4.36Å; V718-I722 WeakPolarHBondContact O-CG1 3.24Å; V718-I722 PolarHBondContact O-N 3.27Å; V718-V894 HydrophobicContact CG1-CG1 3.67Å; V718-V894 HydrophobicContact CG1-CG2 4.06Å; V718-Y897 HydrophobicContact CG2-CD1 3.99Å; V718-Y897 HydrophobicContact CG2-CE1 3.5Å
719	F	86	Confident	85.7	Confident	63 Å²	63	39.6 Å²	39.6	28%	0.276	21%	0.209	S	C	.	.	H	α-helix	trans	-61.7	-46.9	177.1	175.7	-98	0	0	0	111.3	L467 F716 T721 I722 V723	L467-F719 HydrophobicContact CB-CD2 4.12Å; L467-F719 HydrophobicContact CB-CE2 4.36Å; L467-F719 HydrophobicContact CB-CG 4.43Å; F716-F719 HydrophobicContact CD1-CD1 4.35Å; F716-F719 PolarHBondContact O-N 3.13Å; F716-F719 VanDerWaalsContact O-N 3.14Å; F719-T721 VanDerWaalsContact C-N 3.28Å; F719-T721 PolarHBondContact O-N 3.13Å; F719-I722 PolarHBondContact O-N 3.3Å; F719-V723 HydrophobicContact CD1-CG2 4.39Å; F719-V723 HydrophobicContact CE1-CG2 3.93Å; F719-V723 HydrophobicContact CE2-CG2 4.27Å; F719-V723 HydrophobicContact CZ-CG2 3.86Å; F719-V723 WeakPolarHBondContact O-CG2 3.27Å; F719-V723 PolarHBondContact O-N 2.8Å
720	L	88.1	Confident	86.1	Confident	72 Å²	72	43.4 Å²	43.4	38%	0.377	22%	0.221	S	C	.	.	H	α-helix	trans	-59.2	-40.6	175.6	-176.4	63.6	0	0	0	111.4	L696 F716 V723 V724	L696-L720 HydrophobicContact CD1-CD2 4.14Å; L696-L720 HydrophobicContact CD1-CG 4.48Å; F716-L720 WeakPolarHBondContact O-CB 3.39Å; F716-L720 PolarHBondContact O-N 2.9Å; L720-V723 PolarHBondContact O-N 2.84Å; L720-V724 HydrophobicContact CD1-CG2 4.37Å; L720-V724 HydrophobicContact CG-CG2 4.47Å; L720-V724 WeakPolarHBondContact O-CB 3.42Å; L720-V724 VanDerWaalsContact O-CG2 3.3Å; L720-V724 WeakPolarHBondContact O-CG2 3.41Å; L720-V724 PolarHBondContact O-N 3.33Å
721	T	90.7	Very high	86.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-45.9	176	-56.7	0	0	0	0	111.9	T689 M692 A717 V718 F719 V723 V724 M725	T689-T721 HydrophobicContact CG2-CG2 3.95Å; M692-T721 HydrophobicContact CB-CG2 3.7Å; M692-T721 HydrophobicContact CG-CG2 3.81Å; A717-T721 WeakPolarHBondContact O-CB 3.08Å; A717-T721 PolarHBondContact O-N 3.43Å; A717-T721 PolarHBondContact O-OG1 3.46Å; V718-T721 WeakPolarHBondContact O-CB 3.35Å; V718-T721 PolarHBondContact O-N 3.33Å; F719-T721 VanDerWaalsContact C-N 3.28Å; F719-T721 PolarHBondContact O-N 3.13Å; T721-V723 VanDerWaalsContact C-N 3.35Å; T721-V723 PolarHBondContact O-N 3.03Å; T721-V724 PolarHBondContact O-N 2.9Å; T721-M725 HydrophobicContact CG2-CE 4.43Å; T721-M725 HydrophobicContact CG2-CG 4.1Å; T721-M725 WeakPolarHBondContact O-CB 3.4Å; T721-M725 VanDerWaalsContact O-CG 3.22Å; T721-M725 WeakPolarHBondContact O-CG 3.47Å; T721-M725 PolarHBondContact O-N 3.01Å
722	I	88.6	Confident	87.2	Confident	8 Å²	8	46.3 Å²	46.3	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-58.8	-48.4	177.2	-64.5	168.2	0	0	0	110.1	C471 V718 F719 V724 M725 V726 V890 V894	C471-I722 HydrophobicContact CB-CD1 3.62Å; V718-I722 HydrophobicContact CG1-CD1 4.36Å; V718-I722 WeakPolarHBondContact O-CG1 3.24Å; V718-I722 PolarHBondContact O-N 3.27Å; F719-I722 PolarHBondContact O-N 3.3Å; I722-V724 PolarHBondContact O-N 3.11Å; I722-M725 PolarHBondContact O-N 3.34Å; I722-V726 HydrophobicContact CG2-CG2 4.2Å; I722-V726 WeakPolarHBondContact O-CB 3.37Å; I722-V726 WeakPolarHBondContact O-CG2 3.37Å; I722-V726 PolarHBondContact O-N 2.63Å; I722-V890 HydrophobicContact CG1-CG1 4.32Å; I722-V890 HydrophobicContact CG2-CG1 4.4Å; I722-V894 HydrophobicContact CD1-CG2 4.04Å; I722-V894 HydrophobicContact CG1-CG2 3.8Å
723	V	88.8	Confident	87.3	Confident	56 Å²	56	45.7 Å²	45.7	34%	0.339	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-46.9	179.2	173.8	0	0	0	0	111.4	F719 L720 T721 M725 V726 L727	F719-V723 HydrophobicContact CD1-CG2 4.39Å; F719-V723 HydrophobicContact CE1-CG2 3.93Å; F719-V723 HydrophobicContact CE2-CG2 4.27Å; F719-V723 HydrophobicContact CZ-CG2 3.86Å; F719-V723 WeakPolarHBondContact O-CG2 3.27Å; F719-V723 PolarHBondContact O-N 2.8Å; L720-V723 PolarHBondContact O-N 2.84Å; T721-V723 VanDerWaalsContact C-N 3.35Å; T721-V723 PolarHBondContact O-N 3.03Å; V723-M725 PolarHBondContact O-N 3.38Å; V723-V726 PolarHBondContact O-N 2.79Å; V723-L727 HydrophobicContact CG1-CD1 3.99Å; V723-L727 WeakPolarHBondContact O-CB 3.39Å; V723-L727 VanDerWaalsContact O-CG 3.28Å; V723-L727 WeakPolarHBondContact O-CG 3.23Å; V723-L727 PolarHBondContact O-N 2.99Å
724	V	92.1	Very high	87.3	Confident	53 Å²	53	44.8 Å²	44.8	32%	0.321	26%	0.26	S	S	.	.	H	α-helix	trans	-61.6	-44.1	178.1	169.1	0	0	0	0	111.6	L720 T721 I722 L727 L728	L720-V724 HydrophobicContact CD1-CG2 4.37Å; L720-V724 HydrophobicContact CG-CG2 4.47Å; L720-V724 WeakPolarHBondContact O-CB 3.42Å; L720-V724 VanDerWaalsContact O-CG2 3.3Å; L720-V724 WeakPolarHBondContact O-CG2 3.41Å; L720-V724 PolarHBondContact O-N 3.33Å; T721-V724 PolarHBondContact O-N 2.9Å; I722-V724 PolarHBondContact O-N 3.11Å; V724-L727 PolarHBondContact O-N 3.06Å; V724-L728 HydrophobicContact CG1-CD1 4.05Å; V724-L728 WeakPolarHBondContact O-CG 3.26Å; V724-L728 PolarHBondContact O-N 2.84Å
725	M	91.8	Very high	87	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.015	29%	0.288	C	S	.	.	H	α-helix	trans	-72.5	-31.6	-178.4	-62.4	-65.5	153	0	0	112.7	L685 S688 T689 M692 T721 I722 V723 L728 D729 V890	L685-M725 HydrophobicContact CD2-CB 4.3Å; L685-M725 HydrophobicContact CD2-SD 4.48Å; S688-M725 WeakPolarHBondContact OG-CE 3.39Å; T689-M725 WeakPolarHBondContact OG1-CG 3.31Å; M692-M725 HydrophobicContact CB-CE 4.04Å; M692-M725 HydrophobicContact CE-CE 4.2Å; M692-M725 HydrophobicContact CG-CE 4.21Å; T721-M725 HydrophobicContact CG2-CE 4.43Å; T721-M725 HydrophobicContact CG2-CG 4.1Å; T721-M725 WeakPolarHBondContact O-CB 3.4Å; T721-M725 VanDerWaalsContact O-CG 3.22Å; T721-M725 WeakPolarHBondContact O-CG 3.47Å; T721-M725 PolarHBondContact O-N 3.01Å; I722-M725 PolarHBondContact O-N 3.34Å; V723-M725 PolarHBondContact O-N 3.38Å; M725-L728 HydrophobicContact CE-CD1 4.32Å; M725-L728 PolarHBondContact O-N 3.36Å; M725-L728 HydrophobicContact SD-CD1 3.93Å; M725-D729 PolarHBondContact O-N 3.41Å; M725-V890 HydrophobicContact CB-CG1 4.03Å; M725-V890 HydrophobicContact CB-CG2 3.59Å
726	V	90.3	Very high	87.1	Confident	27 Å²	27	48.1 Å²	48.1	16%	0.164	28%	0.284	C	S	.	.	H	α-helix	trans	-66.1	-42.1	170.2	171	0	0	0	0	111.1	I722 V723 L728 D729 F730 F885 I886	I722-V726 HydrophobicContact CG2-CG2 4.2Å; I722-V726 WeakPolarHBondContact O-CB 3.37Å; I722-V726 WeakPolarHBondContact O-CG2 3.37Å; I722-V726 PolarHBondContact O-N 2.63Å; V723-V726 PolarHBondContact O-N 2.79Å; V726-L728 VanDerWaalsContact C-N 3.34Å; V726-D729 PolarHBondContact O-N 2.87Å; V726-F730 WeakPolarHBondContact O-CB 3.32Å; V726-F730 PolarHBondContact O-N 3.46Å; V726-F885 HydrophobicContact CG1-CB 4.45Å; V726-I886 HydrophobicContact CG2-CB 4.47Å; V726-I886 HydrophobicContact CG2-CG1 4.26Å; V726-I886 HydrophobicContact CG2-CG2 4.32Å
727	L	90.8	Very high	86.9	Confident	107 Å²	107	48.5 Å²	48.5	56%	0.56	29%	0.286	S	S	*	.	H	α-helix	trans	-65.4	-36.4	175.7	-71.2	171.2	0	0	0	112.1	V723 V724 F730 A731	V723-L727 HydrophobicContact CG1-CD1 3.99Å; V723-L727 WeakPolarHBondContact O-CB 3.39Å; V723-L727 VanDerWaalsContact O-CG 3.28Å; V723-L727 WeakPolarHBondContact O-CG 3.23Å; V723-L727 PolarHBondContact O-N 2.99Å; V724-L727 PolarHBondContact O-N 3.06Å; L727-F730 PolarHBondContact O-N 2.9Å; L727-A731 VanDerWaalsContact O-CB 3.29Å; L727-A731 WeakPolarHBondContact O-CB 3.29Å; L727-A731 PolarHBondContact O-N 3.03Å
728	L	91.8	Very high	86.6	Confident	77 Å²	77	51.6 Å²	51.6	40%	0.403	30%	0.299	S	S	.	.	H	α-helix	trans	-67.5	-43	173.7	-71.7	170.4	0	0	0	112.3	V724 M725 V726 F730 A731 V732	V724-L728 HydrophobicContact CG1-CD1 4.05Å; V724-L728 WeakPolarHBondContact O-CG 3.26Å; V724-L728 PolarHBondContact O-N 2.84Å; M725-L728 HydrophobicContact CE-CD1 4.32Å; M725-L728 PolarHBondContact O-N 3.36Å; M725-L728 HydrophobicContact SD-CD1 3.93Å; V726-L728 VanDerWaalsContact C-N 3.34Å; L728-F730 VanDerWaalsContact C-N 3.33Å; L728-F730 PolarHBondContact O-N 3.03Å; L728-A731 PolarHBondContact O-N 3.42Å; L728-V732 WeakPolarHBondContact O-CB 3.35Å; L728-V732 WeakPolarHBondContact O-CG2 3.45Å; L728-V732 PolarHBondContact O-N 2.78Å
729	D	90.8	Very high	86	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-42.2	173.3	-175.2	78.2	0	0	0	111.9	W681 L685 M725 V726 G733 S736 K738 P887	W681-D729 PolarHBondContact NE1-OD1 2.85Å; L685-D729 HydrophobicContact CD1-CB 4.28Å; M725-D729 PolarHBondContact O-N 3.41Å; V726-D729 PolarHBondContact O-N 2.87Å; D729-G733 PolarHBondContact O-N 3.09Å; D729-S736 VanDerWaalsContact CG-OG 3.23Å; D729-S736 VanDerWaalsContact OD1-CB 3.29Å; D729-S736 WeakPolarHBondContact OD1-CB 3.38Å; D729-S736 PolarHBondContact OD1-OG 3.06Å; D729-S736 PolarHBondContact OD2-OG 3.23Å; D729-S736 VanDerWaalsContact OD2-OG 3.11Å; D729-K738 WeakPolarHBondContact OD2-CE 3.49Å; D729-K738 IonicContact OD2-NZ 3.24Å; D729-K738 PolarHBondContact OD2-NZ 3.39Å; D729-P887 HydrophobicContact CB-CG 4.13Å
730	F	88.6	Confident	85	Confident	143 Å²	143	57.1 Å²	57.1	63%	0.627	32%	0.323	S	S	*	.	H	α-helix	trans	-65.2	-40.4	175.5	-174.8	-96.9	0	0	0	112.7	V726 L727 L728	V726-F730 WeakPolarHBondContact O-CB 3.32Å; V726-F730 PolarHBondContact O-N 3.46Å; L727-F730 PolarHBondContact O-N 2.9Å; L728-F730 VanDerWaalsContact C-N 3.33Å; L728-F730 PolarHBondContact O-N 3.03Å
731	A	89.8	Confident	83.9	Confident	81 Å²	81	54.1 Å²	54.1	67%	0.669	31%	0.308	S	S	*	.	H	α-helix	trans	-71.7	-33.3	179.6	0	0	0	0	0	113.5	L727 L728	L727-A731 VanDerWaalsContact O-CB 3.29Å; L727-A731 WeakPolarHBondContact O-CB 3.29Å; L727-A731 PolarHBondContact O-N 3.03Å; L728-A731 PolarHBondContact O-N 3.42Å
732	V	89	Confident	82.6	Confident	76 Å²	76	56.8 Å²	56.8	46%	0.461	33%	0.325	S	S	.	.	H	α-helix	trans	-83.4	-27	178.8	170.9	0	0	0	0	112.1	W681 L728 V734	W681-V732 HydrophobicContact CD2-CG1 4.17Å; W681-V732 HydrophobicContact CE3-CG1 4.28Å; W681-V732 HydrophobicContact CH2-CB 4Å; W681-V732 HydrophobicContact CH2-CG1 4.18Å; W681-V732 HydrophobicContact CH2-CG2 3.6Å; W681-V732 HydrophobicContact CZ2-CB 3.77Å; W681-V732 HydrophobicContact CZ2-CG1 4.03Å; W681-V732 HydrophobicContact CZ2-CG2 3.88Å; W681-V732 HydrophobicContact CZ3-CG1 4.29Å; W681-V732 HydrophobicContact CZ3-CG2 4.17Å; L728-V732 WeakPolarHBondContact O-CB 3.35Å; L728-V732 WeakPolarHBondContact O-CG2 3.45Å; L728-V732 PolarHBondContact O-N 2.78Å; V732-V734 HydrophobicContact CG1-CB 4.37Å; V732-V734 HydrophobicContact CG1-CG2 3.79Å; V732-V734 PolarHBondContact O-N 3.23Å; V732-V734 VanDerWaalsContact O-N 3.14Å
733	G	80.4	Confident	81.4	Confident	58 Å²	58	61.2 Å²	61.2	60%	0.598	36%	0.357	S	S	*	.			trans	72.4	4.3	167.9	0	0	0	0	0	116.1	D729	D729-G733 PolarHBondContact O-N 3.09Å
734	V	84.1	Confident	80.4	Confident	30 Å²	30	65.2 Å²	65.2	18%	0.182	37%	0.37	C	S	.	.			trans	-64.1	138.8	174.7	167.3	0	0	0	0	109.9	V678 W681 V732 S736	V678-V734 HydrophobicContact CG2-CG1 4.11Å; W681-V734 HydrophobicContact CB-CG1 4.06Å; W681-V734 HydrophobicContact CG-CB 4.2Å; W681-V734 HydrophobicContact CG-CG1 4.07Å; V732-V734 HydrophobicContact CG1-CB 4.37Å; V732-V734 HydrophobicContact CG1-CG2 3.79Å; V732-V734 PolarHBondContact O-N 3.23Å; V732-V734 VanDerWaalsContact O-N 3.14Å; V734-S736 PolarHBondContact O-N 3.36Å
735	P	75.4	Confident	79.4	Confident	92 Å²	92	67.3 Å²	67.3	60%	0.597	37%	0.374	S	S	*	.			trans	-75.4	68.5	-177.8	31.4	-37	0	0	0	112.5	V678	V678-P735 HydrophobicContact CG2-CG 4.05Å
736	S	80.6	Confident	78.2	Confident	10 Å²	10	71.6 Å²	71.6	7%	0.07	39%	0.394	C	S	.	.			trans	-64.8	154.5	173.6	63.9	0	0	0	0	112.2	D729 V734 K738	D729-S736 VanDerWaalsContact CG-OG 3.23Å; D729-S736 VanDerWaalsContact OD1-CB 3.29Å; D729-S736 WeakPolarHBondContact OD1-CB 3.38Å; D729-S736 PolarHBondContact OD1-OG 3.06Å; D729-S736 PolarHBondContact OD2-OG 3.23Å; D729-S736 VanDerWaalsContact OD2-OG 3.11Å; V734-S736 PolarHBondContact O-N 3.36Å; S736-K738 PolarHBondContact O-N 2.93Å; S736-K738 VanDerWaalsContact O-N 3.07Å; S736-K738 WeakPolarHBondContact OG-CE 3.28Å
737	Q	77.9	Confident	77.4	Confident	52 Å²	52	71.3 Å²	71.3	24%	0.243	39%	0.393	C	S	.	.			trans	-70.6	106.9	177	-176.9	176.8	-14.4	0	0	110.4	L600 M888	L600-Q737 HydrophobicContact CD1-CB 4.29Å; Q737-M888 HydrophobicContact CG-CG 4.19Å; Q737-M888 WeakPolarHBondContact O-CB 3.42Å; Q737-M888 VanDerWaalsContact O-CG 3.31Å; Q737-M888 WeakPolarHBondContact O-CG 3.25Å; Q737-M888 PolarHBondContact O-N 3.07Å
738	K	80.5	Confident	76.3	Confident	66 Å²	66	68.9 Å²	68.9	29%	0.287	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-90.8	158.3	-179.4	-71.6	171.9	-174.9	-172.7	0	113.4	D729 S736 K740 Q884	D729-K738 WeakPolarHBondContact OD2-CE 3.49Å; D729-K738 IonicContact OD2-NZ 3.24Å; D729-K738 PolarHBondContact OD2-NZ 3.39Å; S736-K738 PolarHBondContact O-N 2.93Å; S736-K738 VanDerWaalsContact O-N 3.07Å; S736-K738 WeakPolarHBondContact OG-CE 3.28Å; K738-K740 PolarHBondContact O-N 3.48Å; K738-K740 VanDerWaalsContact O-N 3.13Å; K738-Q884 WeakPolarHBondContact CB-O 3.24Å; K738-Q884 WeakPolarHBondContact CD-O 3.31Å
739	L	70.9	Confident	75.1	Confident	6 Å²	6	71.2 Å²	71.2	3%	0.031	39%	0.386	C	S	.	.			trans	-62.7	108.3	179.5	-171.1	71.3	0	0	0	110.8	I478 V741 L883 I886 M888 L891	I478-L739 HydrophobicContact CB-CD1 4.3Å; I478-L739 HydrophobicContact CD1-CD1 4.11Å; I478-L739 HydrophobicContact CD1-CD2 3.94Å; I478-L739 HydrophobicContact CD1-CG 4.23Å; I478-L739 HydrophobicContact CG2-CD1 3.8Å; L739-V741 HydrophobicContact CD2-CG2 3.71Å; L739-V741 HydrophobicContact CG-CG2 3.77Å; L739-V741 PolarHBondContact O-N 2.79Å; L739-L883 HydrophobicContact CD2-CB 4.45Å; L739-I886 PolarHBondContact N-O 3.23Å; L739-M888 HydrophobicContact CB-SD 4.32Å; L739-M888 HydrophobicContact CD1-CE 4.41Å; L739-M888 HydrophobicContact CD1-SD 3.56Å; L739-M888 VanDerWaalsContact CD1-SD 3.56Å; L739-L891 HydrophobicContact CD1-CD1 4.24Å
740	K	64.7	Low	73.7	Confident	181 Å²	181	78 Å²	78	79%	0.787	42%	0.423	S	S	*	.			trans	-76.4	83.5	177.6	-67.3	-177.9	-176.5	172.8	0	110.8	K738	K738-K740 PolarHBondContact O-N 3.48Å; K738-K740 VanDerWaalsContact O-N 3.13Å
741	V	65.4	Low	72.5	Confident	10 Å²	10	77.2 Å²	77.2	6%	0.061	43%	0.425	C	S	.	.			trans	-89.2	125.7	171.7	-172.5	0	0	0	0	109.7	I478 L739 T880 L883 Q884	I478-V741 HydrophobicContact CD1-CG2 4.14Å; L739-V741 HydrophobicContact CD2-CG2 3.71Å; L739-V741 HydrophobicContact CG-CG2 3.77Å; L739-V741 PolarHBondContact O-N 2.79Å; V741-T880 HydrophobicContact CB-CG2 3.87Å; V741-T880 HydrophobicContact CG1-CG2 3.8Å; V741-T880 WeakPolarHBondContact CG1-OG1 3.18Å; V741-L883 HydrophobicContact CG2-CB 4.22Å; V741-Q884 PolarHBondContact O-NE2 3.33Å; V741-Q884 VanDerWaalsContact O-NE2 3.12Å
742	P	63	Low	71.4	Confident	55 Å²	55	75.7 Å²	75.7	36%	0.357	40%	0.402	S	S	.	.			trans	-71	142.1	178.8	28.6	-33.9	0	0	0	111.9	I495	I495-P742 HydrophobicContact CD1-CB 3.99Å; I495-P742 HydrophobicContact CD1-CG 3.75Å; I495-P742 HydrophobicContact CG1-CB 4.14Å; I495-P742 HydrophobicContact CG1-CG 3.34Å
743	S	63.2	Low	70.6	Confident	102 Å²	102	74.4 Å²	74.4	71%	0.713	40%	0.404	S	S	*	.	S	Bend	trans	-90	-0.2	-170.1	53.8	0	0	0	0	115.7
744	K	67.5	Low	70.5	Confident	140 Å²	140	75 Å²	75	61%	0.609	39%	0.388	S	S	*	.	S	Bend	trans	-130.8	134.8	178.8	-64.7	-173.2	-178.9	-180	0	110.7	I495 Q746	I495-K744 WeakPolarHBondContact CD1-O 3.38Å; K744-Q746 HydrophobicContact CB-CG 4.49Å; K744-Q746 PolarHBondContact O-N 2.86Å; K744-Q746 VanDerWaalsContact O-N 3.17Å
745	F	71	Confident	70.4	Confident	96 Å²	96	79.5 Å²	79.5	42%	0.421	41%	0.411	S	S	.	.			trans	-84.1	82.6	173.5	-172	-100.5	0	0	0	110.2	I495 F499 W754 V877	I495-F745 HydrophobicContact CG2-CD2 4.19Å; I495-F745 HydrophobicContact CG2-CE2 4.4Å; F499-F745 HydrophobicContact CB-CE2 4.13Å; F499-F745 HydrophobicContact CB-CZ 4.44Å; F499-F745 AromaticContact CD2-CE2 3.9Å; F499-F745 HydrophobicContact CD2-CE2 3.9Å; F499-F745 AromaticContact CD2-CZ 3.63Å; F499-F745 HydrophobicContact CD2-CZ 3.63Å; F499-F745 HydrophobicContact CE2-CZ 4.01Å; F499-F745 HydrophobicContact CG-CE2 4.15Å; F499-F745 AromaticContact CG-CZ 3.98Å; F499-F745 HydrophobicContact CG-CZ 3.98Å; F745-W754 HydrophobicContact CD1-CZ2 4.29Å; F745-W754 HydrophobicContact CE1-CH2 4.25Å; F745-W754 AromaticContact CE1-CZ2 3.6Å; F745-W754 HydrophobicContact CE1-CZ2 3.6Å; F745-W754 HydrophobicContact CE2-CH2 4.26Å; F745-W754 HydrophobicContact CE2-CZ2 4.35Å; F745-W754 AromaticContact CZ-CH2 3.8Å; F745-W754 HydrophobicContact CZ-CH2 3.8Å; F745-W754 AromaticContact CZ-CZ2 3.63Å; F745-W754 HydrophobicContact CZ-CZ2 3.63Å; F745-V877 HydrophobicContact CB-CG1 4.16Å; F745-V877 HydrophobicContact CD2-CG1 4.24Å; F745-V877 HydrophobicContact CD2-CG2 4.39Å
746	Q	67.4	Low	70.8	Confident	93 Å²	93	76 Å²	76	44%	0.435	39%	0.387	S	S	.	.	S	Bend	trans	-138	151.4	178	-67.1	179.4	-65	0	0	109.4	I495 K744	I495-Q746 VanDerWaalsContact CD1-O 3.28Å; I495-Q746 WeakPolarHBondContact CD1-O 3.46Å; K744-Q746 HydrophobicContact CB-CG 4.49Å; K744-Q746 PolarHBondContact O-N 2.86Å; K744-Q746 VanDerWaalsContact O-N 3.17Å
747	P	72	Confident	70.8	Confident	22 Å²	22	81.3 Å²	81.3	14%	0.143	41%	0.414	C	S	.	.			trans	-56.5	147.1	168.6	-21.5	33.4	0	0	0	110.5	R749 R752 W754	P747-R749 PolarHBondContact O-N 3.02Å; P747-R752 HydrophobicContact CB-CG 4.18Å; P747-W754 HydrophobicContact CG-CD2 4.4Å; P747-W754 HydrophobicContact CG-CZ2 4.4Å
748	T	68.1	Low	70.6	Confident	56 Å²	56	80.9 Å²	80.9	34%	0.344	42%	0.416	S	S	.	.	S	Bend	trans	-61.9	-20.1	-172.2	-56.7	0	0	0	0	114.3	G490 S493 E496	G490-T748 WeakPolarHBondContact O-CB 3.49Å; G490-T748 VanDerWaalsContact O-CG2 3.25Å; G490-T748 WeakPolarHBondContact O-CG2 3.5Å; S493-T748 WeakPolarHBondContact CB-OG1 3.35Å; E496-T748 PolarHBondContact OE1-N 3.34Å; E496-T748 PolarHBondContact OE1-OG1 2.83Å; E496-T748 VanDerWaalsContact OE1-OG1 3.05Å; E496-T748 PolarHBondContact OE2-OG1 3.19Å
749	R	67.8	Low	70.1	Confident	126 Å²	126	83.5 Å²	83.5	48%	0.475	43%	0.432	S	S	.	.	S	Bend	trans	-124	131.6	170.2	-72.1	179.8	64.5	145.5	-0.2	110	P747 D751 R752	P747-R749 PolarHBondContact O-N 3.02Å; R749-D751 IonicContact CZ-OD2 2.87Å; R749-D751 IonicContact NE-OD2 2.63Å; R749-D751 PolarHBondContact NE-OD2 3.13Å; R749-D751 IonicContact NH2-OD2 2.71Å; R749-D751 PolarHBondContact NH2-OD2 3.33Å; R749-D751 PolarHBondContact O-N 2.94Å; R749-R752 PolarHBondContact O-N 2.87Å
750	D	61.2	Low	70.2	Confident	144 Å²	144	85.3 Å²	85.3	77%	0.77	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18	176.4	-59.9	-54.5	0	0	0	113	R752	D750-R752 PolarHBondContact O-N 2.89Å; D750-R752 VanDerWaalsContact O-N 3.15Å
751	D	61.9	Low	70.5	Confident	126 Å²	126	88 Å²	88	67%	0.674	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-7.9	179.1	-52.2	-51.5	0	0	0	114.9	R749	R749-D751 IonicContact CZ-OD2 2.87Å; R749-D751 IonicContact NE-OD2 2.63Å; R749-D751 PolarHBondContact NE-OD2 3.13Å; R749-D751 IonicContact NH2-OD2 2.71Å; R749-D751 PolarHBondContact NH2-OD2 3.33Å; R749-D751 PolarHBondContact O-N 2.94Å
752	R	68	Low	71.3	Confident	48 Å²	48	88.2 Å²	88.2	18%	0.181	46%	0.458	C	S	.	.			trans	-134.2	145.4	-172.6	75.8	175.2	-173	126.6	-6.7	114.7	R491 E496 P747 R749 D750	R491-R752 PolarHBondContact O-NH2 3.4Å; E496-R752 IonicContact OE1-CZ 3.71Å; E496-R752 IonicContact OE1-NH2 3.62Å; E496-R752 PolarHBondContact OE1-NH2 2.93Å; P747-R752 HydrophobicContact CB-CG 4.18Å; R749-R752 PolarHBondContact O-N 2.87Å; D750-R752 PolarHBondContact O-N 2.89Å; D750-R752 VanDerWaalsContact O-N 3.15Å
753	G	72.2	Confident	72.3	Confident	49 Å²	49	88.2 Å²	88.2	51%	0.505	46%	0.458	S	S	.	.			trans	-82.8	175.9	162.8	0	0	0	0	0	112.9	L755	G753-L755 VanDerWaalsContact C-N 3.28Å; G753-L755 PolarHBondContact O-N 3.36Å
754	W	77.8	Confident	73.2	Confident	71 Å²	71	92.5 Å²	92.5	27%	0.269	46%	0.459	S	S	.	.	S	Bend	trans	-73.3	-10.2	177.9	-72	98.9	0	0	0	114.9	E496 F499 F745 P747 M822 L824	E496-W754 HydrophobicContact CG-CZ3 4.45Å; F499-W754 HydrophobicContact CB-CH2 4.49Å; F499-W754 HydrophobicContact CD1-CE3 4.28Å; F499-W754 HydrophobicContact CD1-CH2 4Å; F499-W754 AromaticContact CD1-CZ3 3.6Å; F499-W754 HydrophobicContact CD1-CZ3 3.6Å; F499-W754 HydrophobicContact CE1-CE3 4.34Å; F499-W754 HydrophobicContact CE1-CZ3 4.08Å; F499-W754 HydrophobicContact CG-CH2 4.3Å; F499-W754 HydrophobicContact CG-CZ3 4.32Å; F745-W754 HydrophobicContact CD1-CZ2 4.29Å; F745-W754 HydrophobicContact CE1-CH2 4.25Å; F745-W754 AromaticContact CE1-CZ2 3.6Å; F745-W754 HydrophobicContact CE1-CZ2 3.6Å; F745-W754 HydrophobicContact CE2-CH2 4.26Å; F745-W754 HydrophobicContact CE2-CZ2 4.35Å; F745-W754 AromaticContact CZ-CH2 3.8Å; F745-W754 HydrophobicContact CZ-CH2 3.8Å; F745-W754 AromaticContact CZ-CZ2 3.63Å; F745-W754 HydrophobicContact CZ-CZ2 3.63Å; P747-W754 HydrophobicContact CG-CD2 4.4Å; P747-W754 HydrophobicContact CG-CZ2 4.4Å; W754-M822 CarbonylContact O-C 3.53Å; W754-M822 WeakPolarHBondContact O-CA 3.39Å; W754-L824 HydrophobicContact CE3-CD2 4.26Å; W754-L824 HydrophobicContact CZ3-CD2 3.85Å
755	L	82.8	Confident	74.1	Confident	125 Å²	125	92 Å²	92	65%	0.654	45%	0.453	S	S	*	.			trans	-111.6	134.2	179.6	-152.5	90.5	0	0	0	110.4	G753 I821	G753-L755 VanDerWaalsContact C-N 3.28Å; G753-L755 PolarHBondContact O-N 3.36Å; L755-I821 HydrophobicContact CD1-CG2 3.62Å; L755-I821 HydrophobicContact CG-CG2 3.99Å
756	I	83.4	Confident	74.7	Confident	18 Å²	18	87.9 Å²	87.9	9%	0.092	44%	0.436	C	S	.	.			trans	-112.6	131.8	-179.2	-64.4	157.5	0	0	0	110.3	L544 A548 P758 I821	L544-I756 HydrophobicContact CB-CD1 4.08Å; L544-I756 HydrophobicContact CB-CG2 4.32Å; L544-I756 HydrophobicContact CD2-CD1 3.81Å; L544-I756 HydrophobicContact CD2-CG1 4.34Å; L544-I756 HydrophobicContact CG-CD1 4.34Å; A548-I756 HydrophobicContact CB-CG2 4.35Å; I756-P758 WeakPolarHBondContact O-CD 3.36Å; I756-I821 PolarHBondContact N-O 3.04Å
757	N	80.4	Confident	75.5	Confident	121 Å²	121	84.8 Å²	84.8	65%	0.647	43%	0.426	S	S	*	.			trans	-73.7	120	169.6	-70.2	-32.8	0	0	0	109.7	S545 I759 G760	S545-N757 PolarHBondContact OG-O 3.06Å; N757-I759 PolarHBondContact O-N 3.18Å; N757-G760 PolarHBondContact O-N 2.97Å
758	P	73.4	Confident	76.2	Confident	44 Å²	44	88.6 Å²	88.6	29%	0.286	45%	0.445	S	S	.	.	S	Bend	trans	-67.4	-35.9	-172.7	24.5	-33.4	0	0	0	113	S545 A548 C549 L552 I756	S545-P758 WeakPolarHBondContact CB-O 3.46Å; A548-P758 HydrophobicContact CB-CB 4.15Å; C549-P758 PolarHBondContact SG-O 3.42Å; L552-P758 HydrophobicContact CD1-CB 3.96Å; L552-P758 HydrophobicContact CD1-CG 4.28Å; I756-P758 WeakPolarHBondContact O-CD 3.36Å
759	I	71.1	Confident	77.2	Confident	121 Å²	121	89.4 Å²	89.4	62%	0.621	45%	0.449	S	S	*	.	S	Bend	trans	-76.1	-39.3	177.8	-63.9	166	0	0	0	110.5	N757 R761 N762	N757-I759 PolarHBondContact O-N 3.18Å; I759-R761 PolarHBondContact O-N 2.91Å; I759-N762 PolarHBondContact O-N 2.88Å
760	G	72.4	Confident	78.1	Confident	44 Å²	44	83.5 Å²	83.5	45%	0.454	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	-132.5	167.9	0	0	0	0	0	114.8	N757	N757-G760 PolarHBondContact O-N 2.97Å
761	R	71.4	Confident	79.5	Confident	237 Å²	237	78.7 Å²	78.7	89%	0.894	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	3.8	177.3	-164.8	171.6	176.5	143.2	-2.6	112.6	I759	I759-R761 PolarHBondContact O-N 2.91Å
762	N	81.6	Confident	80.8	Confident	15 Å²	15	78.7 Å²	78.7	8%	0.08	40%	0.404	C	S	.	.	S	Bend	trans	-88.5	147.8	-175.7	-66.8	-13	0	0	0	110.8	S542 I759 T766	S542-N762 WeakPolarHBondContact CB-OD1 3.4Å; S542-N762 PolarHBondContact N-OD1 3.21Å; S542-N762 PolarHBondContact O-ND2 2.97Å; S542-N762 PolarHBondContact OG-ND2 3Å; S542-N762 PolarHBondContact OG-OD1 3.13Å; I759-N762 PolarHBondContact O-N 2.88Å; N762-T766 WeakPolarHBondContact CB-OG1 3.19Å
763	P	83.6	Confident	81.8	Confident	54 Å²	54	78.4 Å²	78.4	35%	0.351	41%	0.408	S	S	.	.			trans	-69.5	143.2	175.8	29	-33.6	0	0	0	110.8	W765 T766	P763-W765 HydrophobicContact CG-CD2 4.39Å; P763-W765 HydrophobicContact CG-CZ2 3.77Å; P763-W765 PolarHBondContact O-N 3.27Å; P763-T766 HydrophobicContact CG-CG2 3.95Å; P763-T766 WeakPolarHBondContact O-CB 3.31Å; P763-T766 PolarHBondContact O-N 3.06Å; P763-T766 PolarHBondContact O-OG1 2.92Å
764	W	83.1	Confident	82.7	Confident	192 Å²	192	76.1 Å²	76.1	73%	0.727	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.8	-169.2	69	-91	0	0	0	114.9	T766 A767 L768	W764-T766 PolarHBondContact O-N 3.42Å; W764-A767 WeakPolarHBondContact O-CB 3.13Å; W764-A767 PolarHBondContact O-N 3.25Å; W764-A767 VanDerWaalsContact O-N 3.11Å; W764-L768 HydrophobicContact CE3-CD1 4.5Å; W764-L768 HydrophobicContact CZ3-CD1 3.83Å
765	W	85.2	Confident	83.3	Confident	131 Å²	131	77.3 Å²	77.3	50%	0.496	40%	0.396	S	S	.	.	H	α-helix	trans	-63	-25.4	177.9	61.7	-104.4	0	0	0	113	P763 A767 L768 V769	P763-W765 HydrophobicContact CG-CD2 4.39Å; P763-W765 HydrophobicContact CG-CZ2 3.77Å; P763-W765 PolarHBondContact O-N 3.27Å; W765-A767 PolarHBondContact O-N 3.24Å; W765-L768 PolarHBondContact O-N 3.25Å; W765-V769 HydrophobicContact CE3-CG2 3.88Å; W765-V769 HydrophobicContact CZ3-CG2 4.23Å; W765-V769 PolarHBondContact O-N 3.03Å; W765-V769 VanDerWaalsContact O-N 3.1Å
766	T	83.4	Confident	83.5	Confident	8 Å²	8	74 Å²	74	5%	0.049	38%	0.378	C	S	.	.	H	α-helix	trans	-62.9	-29.3	175.5	58.7	0	0	0	0	112.2	L541 N762 P763 W764 L768 V769 A770	L541-T766 HydrophobicContact CD1-CG2 4.24Å; L541-T766 HydrophobicContact CD2-CG2 4.09Å; N762-T766 WeakPolarHBondContact CB-OG1 3.19Å; P763-T766 HydrophobicContact CG-CG2 3.95Å; P763-T766 WeakPolarHBondContact O-CB 3.31Å; P763-T766 PolarHBondContact O-N 3.06Å; P763-T766 PolarHBondContact O-OG1 2.92Å; W764-T766 PolarHBondContact O-N 3.42Å; T766-L768 VanDerWaalsContact C-N 3.29Å; T766-L768 PolarHBondContact O-N 2.85Å; T766-V769 PolarHBondContact O-N 3.2Å; T766-A770 VanDerWaalsContact O-CB 3.26Å; T766-A770 WeakPolarHBondContact O-CB 3.37Å; T766-A770 PolarHBondContact O-N 3.3Å
767	A	84.4	Confident	83.7	Confident	28 Å²	28	73.2 Å²	73.2	23%	0.231	38%	0.375	C	S	.	.	H	α-helix	trans	-68	-28	175.5	0	0	0	0	0	112.3	W553 W764 W765	W553-A767 PolarHBondContact NE1-O 3.13Å; W764-A767 WeakPolarHBondContact O-CB 3.13Å; W764-A767 PolarHBondContact O-N 3.25Å; W764-A767 VanDerWaalsContact O-N 3.11Å; W765-A767 PolarHBondContact O-N 3.24Å
768	L	87.3	Confident	84.2	Confident	102 Å²	102	67.7 Å²	67.7	53%	0.534	35%	0.345	S	S	.	.	H	α-helix	trans	-79.7	-43.8	172.6	-67.5	175.9	0	0	0	111.4	W764 W765 T766 A770 S771	W764-L768 HydrophobicContact CE3-CD1 4.5Å; W764-L768 HydrophobicContact CZ3-CD1 3.83Å; W765-L768 PolarHBondContact O-N 3.25Å; T766-L768 VanDerWaalsContact C-N 3.29Å; T766-L768 PolarHBondContact O-N 2.85Å; L768-A770 PolarHBondContact O-N 2.89Å; L768-S771 WeakPolarHBondContact O-CB 3.5Å; L768-S771 PolarHBondContact O-N 3.29Å; L768-S771 VanDerWaalsContact O-N 3.14Å; L768-S771 PolarHBondContact O-OG 3.17Å
769	V	88.1	Confident	84.9	Confident	73 Å²	73	68 Å²	68	44%	0.442	34%	0.344	S	S	.	.	H	α-helix	trans	-63.4	-31	177.8	176.6	0	0	0	0	111.9	W765 T766 S771 I772 P773	W765-V769 HydrophobicContact CE3-CG2 3.88Å; W765-V769 HydrophobicContact CZ3-CG2 4.23Å; W765-V769 PolarHBondContact O-N 3.03Å; W765-V769 VanDerWaalsContact O-N 3.1Å; T766-V769 PolarHBondContact O-N 3.2Å; V769-S771 PolarHBondContact O-N 3Å; V769-S771 VanDerWaalsContact O-N 3.07Å; V769-I772 PolarHBondContact O-N 2.03Å; V769-I772 VanDerWaalsContact O-N 3.13Å; V769-P773 VanDerWaalsContact O-CD 3.26Å; V769-P773 WeakPolarHBondContact O-CD 3.46Å
770	A	88.6	Confident	85.6	Confident	2 Å²	2	62.4 Å²	62.4	2%	0.017	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-21.7	174	0	0	0	0	0	114.3	L546 C549 I550 T766 L768 I772 P773 A774	L546-A770 HydrophobicContact CD1-CB 4.24Å; C549-A770 HydrophobicContact CB-CB 4.21Å; I550-A770 HydrophobicContact CG1-CB 3.75Å; T766-A770 VanDerWaalsContact O-CB 3.26Å; T766-A770 WeakPolarHBondContact O-CB 3.37Å; T766-A770 PolarHBondContact O-N 3.3Å; L768-A770 PolarHBondContact O-N 2.89Å; A770-I772 VanDerWaalsContact C-N 3.26Å; A770-I772 PolarHBondContact O-N 3.06Å; A770-P773 WeakPolarHBondContact O-CD 3.5Å; A770-A774 WeakPolarHBondContact O-CB 3.1Å; A770-A774 PolarHBondContact O-N 2.72Å
771	S	90.3	Very high	86.3	Confident	44 Å²	44	60.3 Å²	60.3	31%	0.308	29%	0.294	S	S	.	.	H	α-helix	trans	-60.7	-31.1	175.5	63.7	0	0	0	0	113.5	L768 V769 A774 L775	L768-S771 WeakPolarHBondContact O-CB 3.5Å; L768-S771 PolarHBondContact O-N 3.29Å; L768-S771 VanDerWaalsContact O-N 3.14Å; L768-S771 PolarHBondContact O-OG 3.17Å; V769-S771 PolarHBondContact O-N 3Å; V769-S771 VanDerWaalsContact O-N 3.07Å; S771-A774 PolarHBondContact O-N 3.39Å; S771-L775 WeakPolarHBondContact O-CB 3.47Å; S771-L775 PolarHBondContact O-N 3.04Å
772	I	89.4	Confident	87.2	Confident	125 Å²	125	50.1 Å²	50.1	64%	0.641	26%	0.256	S	S	*	.	H	α-helix	trans	-72.3	-52.7	-178.2	-63.8	167.5	0	0	0	111.1	V769 A770 A774 L775 L776	V769-I772 PolarHBondContact O-N 2.03Å; V769-I772 VanDerWaalsContact O-N 3.13Å; A770-I772 VanDerWaalsContact C-N 3.26Å; A770-I772 PolarHBondContact O-N 3.06Å; I772-A774 VanDerWaalsContact C-N 3.27Å; I772-A774 PolarHBondContact O-N 3.32Å; I772-L775 PolarHBondContact O-N 3.29Å; I772-L776 PolarHBondContact O-N 3.23Å
773	P	88.4	Confident	87.3	Confident	43 Å²	43	49.8 Å²	49.8	28%	0.279	25%	0.254	S	S	.	.	H	α-helix	trans	-59.5	-35.8	169.6	-24.9	34	0	0	0	113.4	F528 I550 V769 A770 L776 C777	F528-P773 HydrophobicContact CE2-CB 4.27Å; F528-P773 HydrophobicContact CZ-CB 3.96Å; I550-P773 HydrophobicContact CD1-CB 3.98Å; I550-P773 HydrophobicContact CD1-CG 4.41Å; I550-P773 HydrophobicContact CG1-CB 4.32Å; V769-P773 VanDerWaalsContact O-CD 3.26Å; V769-P773 WeakPolarHBondContact O-CD 3.46Å; A770-P773 WeakPolarHBondContact O-CD 3.5Å; P773-L776 PolarHBondContact O-N 3.26Å; P773-C777 WeakPolarHBondContact O-CB 2.99Å; P773-C777 PolarHBondContact O-N 3.02Å
774	A	91.8	Very high	87.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-39.1	178.4	0	0	0	0	0	112.7	I550 W553 T554 A770 S771 I772 L776 C777 T778	I550-A774 HydrophobicContact CG2-CB 4.12Å; I550-A774 WeakPolarHBondContact O-CB 3.14Å; W553-A774 HydrophobicContact CB-CB 3.42Å; W553-A774 VanDerWaalsContact CB-CB 3.42Å; W553-A774 HydrophobicContact CG-CB 4.48Å; T554-A774 WeakPolarHBondContact OG1-CA 3.03Å; T554-A774 PolarHBondContact OG1-O 3.21Å; A770-A774 WeakPolarHBondContact O-CB 3.1Å; A770-A774 PolarHBondContact O-N 2.72Å; S771-A774 PolarHBondContact O-N 3.39Å; I772-A774 VanDerWaalsContact C-N 3.27Å; I772-A774 PolarHBondContact O-N 3.32Å; A774-L776 VanDerWaalsContact C-N 3.35Å; A774-L776 PolarHBondContact O-N 3.33Å; A774-C777 PolarHBondContact O-N 2.9Å; A774-T778 WeakPolarHBondContact O-CB 3.32Å; A774-T778 PolarHBondContact O-N 2.94Å; A774-T778 PolarHBondContact O-OG1 3.14Å
775	L	89.9	Confident	87.6	Confident	97 Å²	97	38.6 Å²	38.6	51%	0.508	21%	0.206	S	C	.	.	H	α-helix	trans	-58.7	-47.1	173.8	-179.3	66.7	0	0	0	111.2	L557 S771 I772 T778 I779	L557-L775 HydrophobicContact CD1-CB 4.34Å; L557-L775 HydrophobicContact CD1-CD1 4.29Å; S771-L775 WeakPolarHBondContact O-CB 3.47Å; S771-L775 PolarHBondContact O-N 3.04Å; I772-L775 PolarHBondContact O-N 3.29Å; L775-T778 WeakPolarHBondContact O-CB 3.42Å; L775-T778 PolarHBondContact O-N 2.62Å; L775-I779 HydrophobicContact CG-CD1 4.41Å; L775-I779 WeakPolarHBondContact O-CG1 3.46Å; L775-I779 PolarHBondContact O-N 3.48Å; L775-I779 VanDerWaalsContact O-N 3.07Å
776	L	86.6	Confident	87.7	Confident	54 Å²	54	32.4 Å²	32.4	28%	0.283	18%	0.182	S	C	.	.	H	α-helix	trans	-64.7	-43.9	178.4	-170.1	147.5	0	0	0	111.7	F528 I772 P773 A774 T778 I779 L780 I960	F528-L776 HydrophobicContact CD2-CD2 4.3Å; F528-L776 HydrophobicContact CE2-CD2 4.43Å; I772-L776 PolarHBondContact O-N 3.23Å; P773-L776 PolarHBondContact O-N 3.26Å; A774-L776 VanDerWaalsContact C-N 3.35Å; A774-L776 PolarHBondContact O-N 3.33Å; L776-T778 VanDerWaalsContact C-N 3.3Å; L776-T778 PolarHBondContact O-N 3.43Å; L776-I779 PolarHBondContact O-N 3.45Å; L776-L780 PolarHBondContact O-N 3.24Å; L776-I960 HydrophobicContact CD1-CG2 3.61Å; L776-I960 HydrophobicContact CD2-CG2 3.36Å; L776-I960 HydrophobicContact CG-CG2 4.14Å
777	C	88.1	Confident	87.7	Confident	3 Å²	3	32.2 Å²	32.2	2%	0.02	18%	0.18	C	C	.	.	H	α-helix	trans	-59.9	-40.6	175.2	-171.1	0	0	0	0	111.6	F528 T554 P773 A774 I779 L780 I781 W826	F528-C777 HydrophobicContact CE2-CB 4.26Å; F528-C777 HydrophobicContact CZ-CB 4.12Å; T554-C777 HydrophobicContact CG2-CB 4.41Å; P773-C777 WeakPolarHBondContact O-CB 2.99Å; P773-C777 PolarHBondContact O-N 3.02Å; A774-C777 PolarHBondContact O-N 2.9Å; C777-I779 PolarHBondContact O-N 3.34Å; C777-L780 WeakPolarHBondContact O-CB 3.32Å; C777-L780 PolarHBondContact O-N 3.31Å; C777-I781 WeakPolarHBondContact O-CD1 3.05Å; C777-I781 WeakPolarHBondContact O-CG1 3.42Å; C777-I781 PolarHBondContact O-N 2.98Å; C777-I781 VanDerWaalsContact SG-CD1 3.56Å; C777-W826 VanDerWaalsContact SG-CZ3 3.57Å
778	T	90.8	Very high	87.9	Confident	4 Å²	4	30.9 Å²	30.9	3%	0.025	17%	0.17	C	C	.	.	H	α-helix	trans	-60.4	-46.2	175.5	-53.7	0	0	0	0	111.4	L557 L561 A774 L775 L776 L780 I781 F782	L557-T778 HydrophobicContact CB-CG2 3.77Å; L557-T778 WeakPolarHBondContact CB-OG1 3.5Å; L561-T778 HydrophobicContact CD1-CG2 3.69Å; A774-T778 WeakPolarHBondContact O-CB 3.32Å; A774-T778 PolarHBondContact O-N 2.94Å; A774-T778 PolarHBondContact O-OG1 3.14Å; L775-T778 WeakPolarHBondContact O-CB 3.42Å; L775-T778 PolarHBondContact O-N 2.62Å; L776-T778 VanDerWaalsContact C-N 3.3Å; L776-T778 PolarHBondContact O-N 3.43Å; T778-L780 VanDerWaalsContact C-N 3.32Å; T778-L780 PolarHBondContact O-N 2.9Å; T778-I781 PolarHBondContact O-N 3.36Å; T778-F782 WeakPolarHBondContact O-CB 3.19Å; T778-F782 PolarHBondContact O-N 3.47Å
779	I	87.5	Confident	87.8	Confident	51 Å²	51	26 Å²	26	26%	0.262	14%	0.144	S	C	.	.	H	α-helix	trans	-62.4	-41.7	177.7	-63.2	165	0	0	0	110.4	L775 L776 C777 F782 M783 P963 M964	L775-I779 HydrophobicContact CG-CD1 4.41Å; L775-I779 WeakPolarHBondContact O-CG1 3.46Å; L775-I779 PolarHBondContact O-N 3.48Å; L775-I779 VanDerWaalsContact O-N 3.07Å; L776-I779 PolarHBondContact O-N 3.45Å; C777-I779 PolarHBondContact O-N 3.34Å; I779-F782 PolarHBondContact O-N 3.28Å; I779-M783 HydrophobicContact CG2-CG 4.35Å; I779-M783 WeakPolarHBondContact O-CB 3.26Å; I779-M783 VanDerWaalsContact O-CG 3.23Å; I779-M783 WeakPolarHBondContact O-CG 3.42Å; I779-M783 PolarHBondContact O-N 3.15Å; I779-P963 HydrophobicContact CG2-CB 3.91Å; I779-M964 HydrophobicContact CD1-SD 4.27Å; I779-M964 HydrophobicContact CG2-SD 4.33Å
780	L	85.5	Confident	87.5	Confident	4 Å²	4	23.6 Å²	23.6	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-59	-53	176.6	-171.2	157	0	0	0	111.8	P524 V525 L776 C777 T778 F782 M783 D784 P963	P524-L780 HydrophobicContact CB-CD1 3.81Å; P524-L780 HydrophobicContact CB-CD2 4.25Å; P524-L780 HydrophobicContact CB-CG 4.25Å; V525-L780 HydrophobicContact CG2-CD2 3.75Å; L776-L780 PolarHBondContact O-N 3.24Å; C777-L780 WeakPolarHBondContact O-CB 3.32Å; C777-L780 PolarHBondContact O-N 3.31Å; T778-L780 VanDerWaalsContact C-N 3.32Å; T778-L780 PolarHBondContact O-N 2.9Å; L780-F782 PolarHBondContact O-N 2.99Å; L780-M783 PolarHBondContact O-N 3.46Å; L780-D784 PolarHBondContact O-N 3.36Å; L780-P963 HydrophobicContact CB-CG 3.66Å; L780-P963 HydrophobicContact CD1-CG 4.23Å; L780-P963 HydrophobicContact CG-CG 3.82Å
781	I	88.4	Confident	87.3	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.7	-39.3	-178.6	-67	155.1	0	0	0	111.3	T554 C777 T778 Q785 V812 L816 V828	T554-I781 HydrophobicContact CG2-CD1 3.64Å; C777-I781 WeakPolarHBondContact O-CD1 3.05Å; C777-I781 WeakPolarHBondContact O-CG1 3.42Å; C777-I781 PolarHBondContact O-N 2.98Å; C777-I781 VanDerWaalsContact SG-CD1 3.56Å; T778-I781 PolarHBondContact O-N 3.36Å; I781-Q785 WeakPolarHBondContact O-CB 3.35Å; I781-Q785 PolarHBondContact O-N 2.94Å; I781-V812 HydrophobicContact CG2-CG1 3.82Å; I781-L816 HydrophobicContact CD1-CD1 3.28Å; I781-L816 HydrophobicContact CG1-CD1 4.48Å; I781-V828 HydrophobicContact CG1-CG2 3.92Å; I781-V828 HydrophobicContact CG2-CG1 4.31Å; I781-V828 HydrophobicContact CG2-CG2 4.3Å
782	F	88.7	Confident	87	Confident	22 Å²	22	21.9 Å²	21.9	10%	0.096	12%	0.117	C	C	.	.	H	α-helix	trans	-61	-46.8	175.8	179.1	-94.6	0	0	0	111.5	L561 T778 I779 L780 Q786 L809	L561-F782 HydrophobicContact CD1-CB 4.49Å; L561-F782 HydrophobicContact CD1-CD2 3.96Å; L561-F782 HydrophobicContact CD1-CG 4.37Å; T778-F782 WeakPolarHBondContact O-CB 3.19Å; T778-F782 PolarHBondContact O-N 3.47Å; I779-F782 PolarHBondContact O-N 3.28Å; L780-F782 PolarHBondContact O-N 2.99Å; F782-Q786 HydrophobicContact CD2-CG 4.11Å; F782-Q786 HydrophobicContact CE1-CG 4.32Å; F782-Q786 HydrophobicContact CE2-CG 3.89Å; F782-Q786 HydrophobicContact CG-CG 4.42Å; F782-Q786 HydrophobicContact CZ-CG 4.01Å; F782-Q786 VanDerWaalsContact O-CB 3.31Å; F782-Q786 WeakPolarHBondContact O-CB 3.4Å; F782-Q786 VanDerWaalsContact O-CG 3.24Å; F782-Q786 WeakPolarHBondContact O-CG 3.43Å; F782-Q786 PolarHBondContact O-N 3.14Å; F782-L809 HydrophobicContact CD2-CD1 4.18Å; F782-L809 HydrophobicContact CD2-CD2 3.73Å; F782-L809 HydrophobicContact CE2-CD2 3.88Å
783	M	83.9	Confident	86.7	Confident	8 Å²	8	17.2 Å²	17.2	4%	0.039	9%	0.093	C	C	.	.	H	α-helix	trans	-66.4	-49.6	179.6	-67.8	-64.4	-72.9	0	0	111.8	I779 L780 Q785 Q786 I787 P963 V966 L967	I779-M783 HydrophobicContact CG2-CG 4.35Å; I779-M783 WeakPolarHBondContact O-CB 3.26Å; I779-M783 VanDerWaalsContact O-CG 3.23Å; I779-M783 WeakPolarHBondContact O-CG 3.42Å; I779-M783 PolarHBondContact O-N 3.15Å; L780-M783 PolarHBondContact O-N 3.46Å; M783-Q785 VanDerWaalsContact C-N 3.35Å; M783-Q785 PolarHBondContact O-N 2.95Å; M783-Q786 PolarHBondContact O-N 2.95Å; M783-I787 HydrophobicContact CB-CD1 4.36Å; M783-I787 HydrophobicContact CE-CD1 4Å; M783-I787 WeakPolarHBondContact O-CB 3.49Å; M783-I787 WeakPolarHBondContact O-CD1 3.32Å; M783-I787 WeakPolarHBondContact O-CG1 3.46Å; M783-I787 PolarHBondContact O-N 3.05Å; M783-P963 HydrophobicContact CB-CB 4.43Å; M783-P963 HydrophobicContact CG-CB 4.15Å; M783-V966 HydrophobicContact CE-CB 3.85Å; M783-V966 HydrophobicContact CE-CG1 3.55Å; M783-L967 HydrophobicContact CE-CD2 3.76Å; M783-L967 HydrophobicContact CE-CG 3.86Å; M783-L967 HydrophobicContact SD-CD2 3.76Å; M783-L967 HydrophobicContact SD-CG 4.06Å
784	D	84.4	Confident	86.2	Confident	12 Å²	12	16.7 Å²	16.7	6%	0.064	9%	0.085	C	C	.	.	H	α-helix	trans	-59.1	-44.6	178.5	-86.7	7.2	0	0	0	111.2	T522 L780 T788 V828	T522-D784 PolarHBondContact OG1-OD2 3.43Å; L780-D784 PolarHBondContact O-N 3.36Å; D784-T788 VanDerWaalsContact O-CB 3.31Å; D784-T788 WeakPolarHBondContact O-CB 3.42Å; D784-T788 PolarHBondContact O-N 3.27Å; D784-T788 PolarHBondContact O-OG1 3.15Å; D784-V828 HydrophobicContact CB-CG1 3.61Å
785	Q	89.1	Confident	85.2	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.6	-50.1	179.8	-174.9	62.5	32.6	0	0	112.4	Y508 I781 M783 T788 A789 V812 V828	Y508-Q785 PolarHBondContact OH-NE2 3.11Å; I781-Q785 WeakPolarHBondContact O-CB 3.35Å; I781-Q785 PolarHBondContact O-N 2.94Å; M783-Q785 VanDerWaalsContact C-N 3.35Å; M783-Q785 PolarHBondContact O-N 2.95Å; Q785-T788 PolarHBondContact O-N 3.48Å; Q785-A789 WeakPolarHBondContact O-CB 3.41Å; Q785-A789 PolarHBondContact O-N 2.68Å; Q785-V812 HydrophobicContact CG-CG2 4.44Å; Q785-V828 HydrophobicContact CB-CG1 4.46Å
786	Q	87.1	Confident	84.3	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-72.8	-39.4	-173.3	-66.1	-61.9	-9.7	0	0	112.4	V570 F782 M783 T788 A789 V790 Y805	V570-Q786 HydrophobicContact CG2-CB 3.69Å; V570-Q786 HydrophobicContact CG2-CG 3.76Å; F782-Q786 HydrophobicContact CD2-CG 4.11Å; F782-Q786 HydrophobicContact CE1-CG 4.32Å; F782-Q786 HydrophobicContact CE2-CG 3.89Å; F782-Q786 HydrophobicContact CG-CG 4.42Å; F782-Q786 HydrophobicContact CZ-CG 4.01Å; F782-Q786 VanDerWaalsContact O-CB 3.31Å; F782-Q786 WeakPolarHBondContact O-CB 3.4Å; F782-Q786 VanDerWaalsContact O-CG 3.24Å; F782-Q786 WeakPolarHBondContact O-CG 3.43Å; F782-Q786 PolarHBondContact O-N 3.14Å; M783-Q786 PolarHBondContact O-N 2.95Å; Q786-T788 VanDerWaalsContact C-N 3.32Å; Q786-T788 PolarHBondContact O-N 3.28Å; Q786-A789 PolarHBondContact O-N 3.08Å; Q786-V790 WeakPolarHBondContact O-CG2 3.27Å; Q786-V790 PolarHBondContact O-N 3.05Å; Q786-Y805 PolarHBondContact NE2-O 3.41Å
787	I	84.4	Confident	83.8	Confident	3 Å²	3	21.5 Å²	21.5	2%	0.015	10%	0.101	C	C	.	.	H	α-helix	trans	-62.8	-42.8	174.8	-63.8	164.9	0	0	0	109.9	I573 F581 M783 A789 V790 I791 V966	I573-I787 HydrophobicContact CD1-CG1 3.99Å; F581-I787 HydrophobicContact CB-CG2 4.37Å; F581-I787 HydrophobicContact CD1-CB 4.38Å; F581-I787 HydrophobicContact CD1-CD1 4.39Å; F581-I787 HydrophobicContact CD1-CG2 3.47Å; F581-I787 VanDerWaalsContact CD1-CG2 3.47Å; F581-I787 HydrophobicContact CD2-CD1 4.25Å; F581-I787 HydrophobicContact CE1-CB 4.4Å; F581-I787 HydrophobicContact CE1-CD1 4.41Å; F581-I787 HydrophobicContact CE1-CG2 3.91Å; F581-I787 HydrophobicContact CE2-CD1 4.28Å; F581-I787 HydrophobicContact CG-CD1 4.29Å; F581-I787 HydrophobicContact CG-CG2 4.06Å; F581-I787 HydrophobicContact CZ-CD1 4.36Å; M783-I787 HydrophobicContact CB-CD1 4.36Å; M783-I787 HydrophobicContact CE-CD1 4Å; M783-I787 WeakPolarHBondContact O-CB 3.49Å; M783-I787 WeakPolarHBondContact O-CD1 3.32Å; M783-I787 WeakPolarHBondContact O-CG1 3.46Å; M783-I787 PolarHBondContact O-N 3.05Å; I787-A789 PolarHBondContact O-N 3.14Å; I787-V790 PolarHBondContact O-N 2.97Å; I787-I791 HydrophobicContact CG2-CD1 3.73Å; I787-I791 HydrophobicContact CG2-CG1 4.37Å; I787-I791 VanDerWaalsContact O-CG1 3.28Å; I787-I791 WeakPolarHBondContact O-CG1 3.35Å; I787-I791 PolarHBondContact O-N 2.92Å; I787-V966 HydrophobicContact CD1-CG1 3.74Å
788	T	86.7	Confident	83.2	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-42.2	176.5	-54.4	0	0	0	0	112	T517 D784 Q785 Q786 V790 I791 I792 A829 T831	T517-T788 HydrophobicContact CG2-CG2 4.11Å; D784-T788 VanDerWaalsContact O-CB 3.31Å; D784-T788 WeakPolarHBondContact O-CB 3.42Å; D784-T788 PolarHBondContact O-N 3.27Å; D784-T788 PolarHBondContact O-OG1 3.15Å; Q785-T788 PolarHBondContact O-N 3.48Å; Q786-T788 VanDerWaalsContact C-N 3.32Å; Q786-T788 PolarHBondContact O-N 3.28Å; T788-V790 PolarHBondContact O-N 3.01Å; T788-I791 PolarHBondContact O-N 3.5Å; T788-I792 HydrophobicContact CG2-CD1 3.81Å; T788-I792 WeakPolarHBondContact O-CD1 3.45Å; T788-I792 WeakPolarHBondContact O-CG1 3.29Å; T788-I792 PolarHBondContact O-N 3.26Å; T788-A829 HydrophobicContact CG2-CB 3.69Å; T788-T831 HydrophobicContact CG2-CG2 4.11Å; T788-T831 WeakPolarHBondContact OG1-CG2 3.48Å
789	A	86.1	Confident	82.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62	-41.7	176.8	0	0	0	0	0	112.2	Q785 Q786 I787 I792 N793 Y805	Q785-A789 WeakPolarHBondContact O-CB 3.41Å; Q785-A789 PolarHBondContact O-N 2.68Å; Q786-A789 PolarHBondContact O-N 3.08Å; I787-A789 PolarHBondContact O-N 3.14Å; A789-I792 PolarHBondContact O-N 2.87Å; A789-N793 VanDerWaalsContact O-CB 3.26Å; A789-N793 WeakPolarHBondContact O-CB 3.45Å; A789-N793 PolarHBondContact O-N 3.25Å; A789-N793 PolarHBondContact O-ND2 3.48Å; A789-N793 VanDerWaalsContact O-ND2 3.07Å; A789-Y805 HydrophobicContact CB-CD1 3.71Å; A789-Y805 HydrophobicContact CB-CE1 3.71Å
790	V	82.8	Confident	82	Confident	21 Å²	21	33.8 Å²	33.8	13%	0.127	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-46.2	174.6	172.8	0	0	0	0	111.6	V570 E578 Q786 I787 T788 I792 N793 R794 Y805	V570-V790 HydrophobicContact CG1-CG2 3.17Å; E578-V790 HydrophobicContact CG-CG1 4.38Å; Q786-V790 WeakPolarHBondContact O-CG2 3.27Å; Q786-V790 PolarHBondContact O-N 3.05Å; I787-V790 PolarHBondContact O-N 2.97Å; T788-V790 PolarHBondContact O-N 3.01Å; V790-I792 VanDerWaalsContact C-N 3.26Å; V790-I792 PolarHBondContact O-N 3.21Å; V790-N793 CarbonylContact O-C 3.4Å; V790-N793 PolarHBondContact O-N 3Å; V790-N793 VanDerWaalsContact O-N 3.14Å; V790-R794 WeakPolarHBondContact O-CG 3.38Å; V790-R794 PolarHBondContact O-N 3.41Å; V790-Y805 HydrophobicContact CG2-CE1 4.19Å
791	I	83.8	Confident	81.7	Confident	9 Å²	9	34.7 Å²	34.7	5%	0.046	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-36.3	179.5	-68.7	164.3	0	0	0	111.7	E578 A582 I787 T788 R794 T831 I835	E578-I791 HydrophobicContact CG-CD1 4.29Å; E578-I791 HydrophobicContact CG-CG1 3.44Å; E578-I791 VanDerWaalsContact CG-CG1 3.44Å; A582-I791 HydrophobicContact CB-CD1 4.22Å; I787-I791 HydrophobicContact CG2-CD1 3.73Å; I787-I791 HydrophobicContact CG2-CG1 4.37Å; I787-I791 VanDerWaalsContact O-CG1 3.28Å; I787-I791 WeakPolarHBondContact O-CG1 3.35Å; I787-I791 PolarHBondContact O-N 2.92Å; T788-I791 PolarHBondContact O-N 3.5Å; I791-R794 WeakPolarHBondContact O-CD 3.36Å; I791-R794 WeakPolarHBondContact O-CG 3.47Å; I791-T831 HydrophobicContact CD1-CG2 4.1Å; I791-I835 HydrophobicContact CG2-CD1 3.82Å; I791-I835 HydrophobicContact CG2-CG1 3.78Å
792	I	84.7	Confident	80.7	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-75.7	-40.4	177.2	-65.4	162.5	0	0	0	110.5	Q514 L516 T517 T788 A789 V790 R794 H797 L799 V838	Q514-I792 HydrophobicContact CG-CG2 3.81Å; L516-I792 HydrophobicContact CB-CG2 4.08Å; T517-I792 HydrophobicContact CG2-CD1 3.94Å; T517-I792 WeakPolarHBondContact OG1-CD1 3.45Å; T788-I792 HydrophobicContact CG2-CD1 3.81Å; T788-I792 WeakPolarHBondContact O-CD1 3.45Å; T788-I792 WeakPolarHBondContact O-CG1 3.29Å; T788-I792 PolarHBondContact O-N 3.26Å; A789-I792 PolarHBondContact O-N 2.87Å; V790-I792 VanDerWaalsContact C-N 3.26Å; V790-I792 PolarHBondContact O-N 3.21Å; I792-R794 PolarHBondContact O-N 3.28Å; I792-R794 VanDerWaalsContact O-N 3.13Å; I792-H797 PolarHBondContact O-CD2 3.11Å; I792-L799 WeakPolarHBondContact O-CD1 3.17Å; I792-V838 HydrophobicContact CG1-CG2 4.46Å; I792-V838 HydrophobicContact CG2-CG2 4.01Å
793	N	82.5	Confident	80.2	Confident	27 Å²	27	35 Å²	35	14%	0.144	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	18.3	-176.3	-63.1	-26.9	0	0	0	113.9	Q514 A789 V790 K795 C803 Y805	Q514-N793 VanDerWaalsContact CD-OD1 3.23Å; Q514-N793 WeakPolarHBondContact CG-OD1 3.42Å; Q514-N793 PolarHBondContact NE2-OD1 2.84Å; A789-N793 VanDerWaalsContact O-CB 3.26Å; A789-N793 WeakPolarHBondContact O-CB 3.45Å; A789-N793 PolarHBondContact O-N 3.25Å; A789-N793 PolarHBondContact O-ND2 3.48Å; A789-N793 VanDerWaalsContact O-ND2 3.07Å; V790-N793 CarbonylContact O-C 3.4Å; V790-N793 PolarHBondContact O-N 3Å; V790-N793 VanDerWaalsContact O-N 3.14Å; N793-K795 PolarHBondContact O-N 2.97Å; N793-C803 WeakPolarHBondContact ND2-CB 3.14Å; N793-Y805 PolarHBondContact ND2-OH 3.44Å
794	R	77.4	Confident	80.2	Confident	32 Å²	32	34.7 Å²	34.7	12%	0.121	17%	0.171	C	C	.	.			trans	-61.2	133.4	178.6	-66.3	167.8	95.1	-107.1	-17.4	110.8	E578 E579 V790 I791 I792 E796 H797	E578-R794 WeakPolarHBondContact OE1-CD 3.11Å; E578-R794 IonicContact OE1-CZ 3.68Å; E578-R794 IonicContact OE1-NE 2.72Å; E578-R794 PolarHBondContact OE1-NE 2.95Å; E579-R794 IonicContact OE1-NH2 2.69Å; V790-R794 WeakPolarHBondContact O-CG 3.38Å; V790-R794 PolarHBondContact O-N 3.41Å; I791-R794 WeakPolarHBondContact O-CD 3.36Å; I791-R794 WeakPolarHBondContact O-CG 3.47Å; I792-R794 PolarHBondContact O-N 3.28Å; I792-R794 VanDerWaalsContact O-N 3.13Å; R794-E796 IonicContact CZ-OE1 3.21Å; R794-E796 IonicContact CZ-OE2 3.97Å; R794-E796 IonicContact NH1-OE1 2.74Å; R794-E796 IonicContact NH1-OE2 3.64Å; R794-E796 PolarHBondContact NH1-OE2 3.36Å; R794-E796 VanDerWaalsContact NH2-CD 3.31Å; R794-E796 IonicContact NH2-OE1 2.81Å; R794-E796 PolarHBondContact NH2-OE1 2.75Å; R794-E796 IonicContact NH2-OE2 3.14Å; R794-E796 PolarHBondContact NH2-OE2 3.04Å; R794-E796 PolarHBondContact O-N 3.47Å; R794-E796 VanDerWaalsContact O-N 3.07Å; R794-H797 WeakPolarHBondContact O-CB 3.2Å; R794-H797 PolarHBondContact O-N 3.31Å
795	K	70.5	Confident	80.4	Confident	155 Å²	155	34.9 Å²	34.9	67%	0.674	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-58.3	-24.5	177.5	-64.4	176.7	-176.2	169.5	0	113.2	N793 H797 K798	N793-K795 PolarHBondContact O-N 2.97Å; K795-H797 PolarHBondContact O-N 2.68Å; K795-K798 PolarHBondContact O-N 3.22Å; K795-K798 VanDerWaalsContact O-N 3.15Å
796	E	70.8	Confident	80.4	Confident	67 Å²	67	35.1 Å²	35.1	31%	0.313	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-56.5	-29	172.1	-59.3	-175.1	-172.5	0	0	112.8	R575 R794 K798 F856 L991	R575-E796 IonicContact CZ-OE1 2.64Å; R575-E796 IonicContact NH1-OE1 3.89Å; R575-E796 PolarHBondContact NH1-OE1 3.19Å; R575-E796 IonicContact NH2-OE1 2.73Å; R575-E796 PolarHBondContact NH2-OE1 3.46Å; R794-E796 IonicContact CZ-OE1 3.21Å; R794-E796 IonicContact CZ-OE2 3.97Å; R794-E796 IonicContact NH1-OE1 2.74Å; R794-E796 IonicContact NH1-OE2 3.64Å; R794-E796 PolarHBondContact NH1-OE2 3.36Å; R794-E796 VanDerWaalsContact NH2-CD 3.31Å; R794-E796 IonicContact NH2-OE1 2.81Å; R794-E796 PolarHBondContact NH2-OE1 2.75Å; R794-E796 IonicContact NH2-OE2 3.14Å; R794-E796 PolarHBondContact NH2-OE2 3.04Å; R794-E796 PolarHBondContact O-N 3.47Å; R794-E796 VanDerWaalsContact O-N 3.07Å; E796-K798 VanDerWaalsContact C-N 3.33Å; E796-F856 VanDerWaalsContact O-CE1 3.25Å; E796-F856 WeakPolarHBondContact O-CE1 3.48Å; E796-L991 HydrophobicContact CG-CD1 3.35Å; E796-L991 HydrophobicContact CG-CD2 4.5Å; E796-L991 WeakPolarHBondContact OE1-CD1 3.45Å
797	H	76.1	Confident	80.5	Confident	30 Å²	30	36.2 Å²	36.2	14%	0.139	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-81.5	-6.1	-178.8	-69.2	-43.3	0	0	0	114.3	I792 R794 K795 L799 F856 I859	I792-H797 PolarHBondContact O-CD2 3.11Å; R794-H797 WeakPolarHBondContact O-CB 3.2Å; R794-H797 PolarHBondContact O-N 3.31Å; K795-H797 PolarHBondContact O-N 2.68Å; H797-L799 HydrophobicContact CB-CD2 4.37Å; H797-L799 HydrophobicContact CB-CG 4.05Å; H797-L799 PolarHBondContact O-N 2.99Å; H797-F856 WeakPolarHBondContact O-CZ 3.2Å; H797-I859 HydrophobicContact CB-CD1 3.49Å; H797-I859 VanDerWaalsContact CB-CD1 3.49Å; H797-I859 WeakPolarHBondContact ND1-CD1 3.24Å
798	K	76.4	Confident	80.9	Confident	114 Å²	114	36.1 Å²	36.1	50%	0.496	18%	0.177	S	C	.	.			trans	47.8	42.5	179.1	-60	-179.1	-179.8	-179.5	0	113.4	K795 E796 F856	K795-K798 PolarHBondContact O-N 3.22Å; K795-K798 VanDerWaalsContact O-N 3.15Å; E796-K798 VanDerWaalsContact C-N 3.33Å; K798-F856 HydrophobicContact CB-CE1 4.16Å; K798-F856 HydrophobicContact CD-CD1 3.99Å; K798-F856 HydrophobicContact CD-CE1 4Å; K798-F856 HydrophobicContact CG-CD1 4.39Å; K798-F856 HydrophobicContact CG-CE1 3.96Å; K798-F856 PolarHBondContact NZ-O 3.24Å
799	L	80	Confident	81.1	Confident	43 Å²	43	36 Å²	36	23%	0.225	18%	0.177	C	C	.	.			trans	-64.3	139.2	175.2	-61	175.7	0	0	0	110	L516 I792 H797 I859 E861	L516-L799 HydrophobicContact CD1-CD2 4.15Å; I792-L799 WeakPolarHBondContact O-CD1 3.17Å; H797-L799 HydrophobicContact CB-CD2 4.37Å; H797-L799 HydrophobicContact CB-CG 4.05Å; H797-L799 PolarHBondContact O-N 2.99Å; L799-I859 HydrophobicContact CD2-CB 4.1Å; L799-I859 HydrophobicContact CD2-CG2 4.14Å; L799-E861 HydrophobicContact CD2-CG 3.75Å
800	L	73.2	Confident	81.4	Confident	159 Å²	159	37.6 Å²	37.6	83%	0.832	19%	0.185	S	C	*	.			trans	-105.7	-31.3	-171.8	-64.8	175.4	0	0	0	111.9	E861	L800-E861 PolarHBondContact N-OE2 3.28Å
801	K	79	Confident	81.9	Confident	23 Å²	23	37.6 Å²	37.6	10%	0.1	18%	0.184	C	C	.	.	S	Bend	trans	-89.2	115.2	178	-57.1	171.9	-171.3	176	0	107.6	F449 D453 D456 E861	F449-K801 HydrophobicContact CB-CD 4.09Å; F449-K801 HydrophobicContact CB-CG 4.34Å; F449-K801 HydrophobicContact CD1-CD 4.43Å; F449-K801 HydrophobicContact CD1-CG 4.06Å; F449-K801 HydrophobicContact CG-CD 4.33Å; F449-K801 HydrophobicContact CG-CG 4.06Å; D453-K801 VanDerWaalsContact OD1-CD 3.28Å; D453-K801 WeakPolarHBondContact OD1-CD 3.37Å; D453-K801 WeakPolarHBondContact OD1-CE 3.45Å; D453-K801 IonicContact OD1-NZ 3.58Å; D453-K801 PolarHBondContact OD1-NZ 2.97Å; D456-K801 IonicContact OD2-NZ 3.59Å; D456-K801 PolarHBondContact OD2-NZ 3.04Å; K801-E861 WeakPolarHBondContact CB-OE2 3.41Å; K801-E861 HydrophobicContact CD-CB 3.82Å; K801-E861 WeakPolarHBondContact CG-OE2 3.4Å; K801-E861 PolarHBondContact N-OE2 3.07Å; K801-E861 PolarHBondContact NZ-O 2.95Å
802	G	68	Low	82.3	Confident	22 Å²	22	37.3 Å²	37.3	23%	0.227	18%	0.183	C	C	.	.			trans	-55.5	160.7	-174.4	0	0	0	0	0	114.2	K446	K446-G802 WeakPolarHBondContact CE-O 3.42Å; K446-G802 PolarHBondContact NZ-O 3.35Å
803	C	76.4	Confident	82.7	Confident	7 Å²	7	37.3 Å²	37.3	5%	0.047	18%	0.183	C	C	.	.			trans	-79.6	177.7	-169.7	69.2	0	0	0	0	114	E428 R445 N793 Y805	E428-C803 PolarHBondContact OE1-N 3.39Å; E428-C803 PolarHBondContact OE1-SG 3.04Å; E428-C803 PolarHBondContact OE2-SG 2.87Å; R445-C803 PolarHBondContact NH1-O 3.45Å; R445-C803 VanDerWaalsContact NH1-O 3.14Å; N793-C803 WeakPolarHBondContact ND2-CB 3.14Å; C803-Y805 HydrophobicContact CB-CE2 4.09Å; C803-Y805 WeakPolarHBondContact SG-CE2 3.45Å
804	G	85.4	Confident	83.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.			trans	-157.3	66.1	-179.5	0	0	0	0	0	115	D442 H806 L807 D808	D442-G804 VanDerWaalsContact OD2-C 3.31Å; D442-G804 WeakPolarHBondContact OD2-CA 3.43Å; G804-H806 PolarHBondContact O-N 2.86Å; G804-L807 PolarHBondContact O-N 2.84Å; G804-D808 PolarHBondContact O-N 3.31Å; G804-D808 VanDerWaalsContact O-N 3.17Å
805	Y	87.5	Confident	84.1	Confident	16 Å²	16	38 Å²	38	6%	0.063	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-33.9	-174.2	-61.3	-76.1	0	0	0	114.7	L429 D442 Q786 A789 V790 N793 C803 L809	L429-Y805 HydrophobicContact CD1-CE2 4.24Å; L429-Y805 HydrophobicContact CD2-CD2 3.85Å; L429-Y805 HydrophobicContact CD2-CE2 3.96Å; L429-Y805 HydrophobicContact CG-CD2 4.34Å; L429-Y805 HydrophobicContact CG-CE2 4.16Å; D442-Y805 PolarHBondContact OD2-N 2.75Å; Q786-Y805 PolarHBondContact NE2-O 3.41Å; A789-Y805 HydrophobicContact CB-CD1 3.71Å; A789-Y805 HydrophobicContact CB-CE1 3.71Å; V790-Y805 HydrophobicContact CG2-CE1 4.19Å; N793-Y805 PolarHBondContact ND2-OH 3.44Å; C803-Y805 HydrophobicContact CB-CE2 4.09Å; C803-Y805 WeakPolarHBondContact SG-CE2 3.45Å; Y805-L809 PolarHBondContact O-N 2.75Å
806	H	89.5	Confident	85.1	Confident	6 Å²	6	31 Å²	31	3%	0.028	16%	0.16	C	C	.	.	H	α-helix	trans	-75.4	-38	-179.4	-61.1	85.5	0	0	0	111.1	L439 D442 V562 S567 G804 L810	L439-H806 HydrophobicContact CB-CB 4.19Å; L439-H806 HydrophobicContact CD1-CB 4.26Å; D442-H806 WeakPolarHBondContact OD2-CB 3.33Å; D442-H806 IonicContact OD2-CG 3.82Å; D442-H806 PolarHBondContact OD2-N 3.08Å; D442-H806 IonicContact OD2-ND1 2.88Å; D442-H806 PolarHBondContact OD2-ND1 3.44Å; D442-H806 VanDerWaalsContact OD2-ND1 3.14Å; V562-H806 HydrophobicContact CG1-CB 4.38Å; S567-H806 WeakPolarHBondContact CB-NE2 3.21Å; S567-H806 PolarHBondContact OG-CD2 2.98Å; S567-H806 PolarHBondContact OG-NE2 2.93Å; S567-H806 VanDerWaalsContact OG-NE2 3.07Å; G804-H806 PolarHBondContact O-N 2.86Å; H806-L810 VanDerWaalsContact O-CB 3.27Å; H806-L810 WeakPolarHBondContact O-CB 3.34Å; H806-L810 PolarHBondContact O-N 2.66Å
807	L	90.2	Very high	86.2	Confident	24 Å²	24	28.7 Å²	28.7	13%	0.126	15%	0.152	C	C	.	.	H	α-helix	trans	-67.1	-39.8	178.4	-175.5	58.4	0	0	0	111.4	L439 D442 I443 G804 M811	L439-L807 HydrophobicContact CD1-CB 4.12Å; L439-L807 HydrophobicContact CD1-CD1 4.08Å; D442-L807 HydrophobicContact CB-CB 4.45Å; I443-L807 HydrophobicContact CG1-CD1 4.19Å; I443-L807 HydrophobicContact CG1-CD2 4.27Å; G804-L807 PolarHBondContact O-N 2.84Å; L807-M811 WeakPolarHBondContact O-CB 3.44Å; L807-M811 PolarHBondContact O-N 3.05Å
808	D	91.5	Very high	87	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-49.2	174.6	-72.9	-14.4	0	0	0	112	Y508 A512 G513 Q514 G804 L810 M811 V812	Y508-D808 HydrophobicContact CE2-CB 4.5Å; Y508-D808 VanDerWaalsContact OH-CG 3.3Å; Y508-D808 PolarHBondContact OH-OD1 2.94Å; A512-D808 WeakPolarHBondContact CB-OD1 3.26Å; G513-D808 WeakPolarHBondContact CA-OD1 3.39Å; G513-D808 PolarHBondContact N-OD1 2.98Å; Q514-D808 WeakPolarHBondContact CB-OD2 3.36Å; Q514-D808 PolarHBondContact N-OD1 3.09Å; Q514-D808 PolarHBondContact N-OD2 3.43Å; G804-D808 PolarHBondContact O-N 3.31Å; G804-D808 VanDerWaalsContact O-N 3.17Å; D808-L810 PolarHBondContact O-N 2.81Å; D808-M811 PolarHBondContact O-N 3.45Å; D808-V812 WeakPolarHBondContact O-CG2 3.48Å; D808-V812 PolarHBondContact O-N 3.05Å
809	L	91	Very high	87.7	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.2	-39.7	178.9	-177.9	64.1	0	0	0	112.2	L561 V562 F782 Y805 G813	L561-L809 HydrophobicContact CB-CD2 4.27Å; V562-L809 HydrophobicContact CG2-CB 4.01Å; V562-L809 HydrophobicContact CG2-CD2 3.77Å; V562-L809 HydrophobicContact CG2-CG 3.8Å; F782-L809 HydrophobicContact CD2-CD1 4.18Å; F782-L809 HydrophobicContact CD2-CD2 3.73Å; F782-L809 HydrophobicContact CE2-CD2 3.88Å; Y805-L809 PolarHBondContact O-N 2.75Å; L809-G813 PolarHBondContact O-N 2.86Å
810	L	92.8	Very high	88.3	Confident	33 Å²	33	22.2 Å²	22.2	17%	0.173	13%	0.126	C	C	.	.	H	α-helix	trans	-59.2	-48.7	174.2	-175.6	76	0	0	0	110.9	L439 F559 V562 H806 D808 V812 G813 V814	L439-L810 HydrophobicContact CD1-CB 4.47Å; L439-L810 HydrophobicContact CD1-CD2 3.85Å; L439-L810 HydrophobicContact CD2-CD2 3.75Å; L439-L810 HydrophobicContact CG-CD2 4.46Å; F559-L810 HydrophobicContact CD1-CD1 3.49Å; F559-L810 VanDerWaalsContact CD1-CD1 3.49Å; F559-L810 HydrophobicContact CE1-CD1 3.5Å; F559-L810 HydrophobicContact CE1-CG 4.45Å; V562-L810 HydrophobicContact CG1-CB 4.4Å; V562-L810 HydrophobicContact CG1-CD1 4.21Å; V562-L810 HydrophobicContact CG2-CB 4.21Å; H806-L810 VanDerWaalsContact O-CB 3.27Å; H806-L810 WeakPolarHBondContact O-CB 3.34Å; H806-L810 PolarHBondContact O-N 2.66Å; D808-L810 PolarHBondContact O-N 2.81Å; L810-V812 PolarHBondContact O-N 2.74Å; L810-G813 PolarHBondContact O-N 2.89Å; L810-G813 VanDerWaalsContact O-N 3.15Å; L810-V814 WeakPolarHBondContact O-CG2 3.27Å; L810-V814 PolarHBondContact O-N 3.32Å
811	M	93	Very high	89.1	Confident	21 Å²	21	17.6 Å²	17.6	10%	0.103	10%	0.102	C	C	.	.	H	α-helix	trans	-66.4	-38.3	-175.6	-167.1	56.9	-168.7	0	0	112.1	A507 Y508 F511 L807 D808 V814 M815	A507-M811 HydrophobicContact CB-CE 3.52Å; A507-M811 WeakPolarHBondContact O-CE 3.35Å; Y508-M811 HydrophobicContact CD2-CB 4.3Å; Y508-M811 HydrophobicContact CD2-CG 4.15Å; F511-M811 HydrophobicContact CB-CE 4.11Å; F511-M811 HydrophobicContact CB-CG 4.35Å; F511-M811 HydrophobicContact CB-SD 3.89Å; F511-M811 HydrophobicContact CD2-CE 3.93Å; F511-M811 HydrophobicContact CG-CE 4.45Å; L807-M811 WeakPolarHBondContact O-CB 3.44Å; L807-M811 PolarHBondContact O-N 3.05Å; D808-M811 PolarHBondContact O-N 3.45Å; M811-V814 PolarHBondContact O-N 2.98Å; M811-M815 HydrophobicContact CE-CE 3.77Å; M811-M815 HydrophobicContact CE-CG 3.96Å; M811-M815 HydrophobicContact CE-SD 4.12Å; M811-M815 WeakPolarHBondContact O-CB 3.4Å; M811-M815 WeakPolarHBondContact O-CG 3.33Å; M811-M815 PolarHBondContact O-N 3.28Å
812	V	92.7	Very high	89.5	Confident	3 Å²	3	18.4 Å²	18.4	2%	0.018	11%	0.106	C	C	.	.	H	α-helix	trans	-63.4	-42.4	171.5	173.4	0	0	0	0	111.3	Y508 L519 I781 Q785 D808 L810 V814 M815 L816	Y508-V812 HydrophobicContact CD2-CG2 4.12Å; Y508-V812 HydrophobicContact CE2-CG2 3.87Å; L519-V812 HydrophobicContact CD2-CG2 4.11Å; I781-V812 HydrophobicContact CG2-CG1 3.82Å; Q785-V812 HydrophobicContact CG-CG2 4.44Å; D808-V812 WeakPolarHBondContact O-CG2 3.48Å; D808-V812 PolarHBondContact O-N 3.05Å; L810-V812 PolarHBondContact O-N 2.74Å; V812-V814 PolarHBondContact O-N 2.89Å; V812-M815 PolarHBondContact O-N 3.17Å; V812-L816 VanDerWaalsContact O-CB 3.26Å; V812-L816 WeakPolarHBondContact O-CB 3.28Å; V812-L816 PolarHBondContact O-N 3.04Å
813	G	93.6	Very high	90.4	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-60.7	-43.7	175.9	0	0	0	0	0	113.5	A555 L809 L810 L816 A817	A555-G813 WeakPolarHBondContact CB-O 3.36Å; L809-G813 PolarHBondContact O-N 2.86Å; L810-G813 PolarHBondContact O-N 2.89Å; L810-G813 VanDerWaalsContact O-N 3.15Å; G813-L816 PolarHBondContact O-N 3.35Å; G813-A817 PolarHBondContact O-N 3.4Å; G813-A817 VanDerWaalsContact O-N 3.13Å
814	V	94.2	Very high	91	Very high	50 Å²	50	17 Å²	17	30%	0.303	9%	0.093	S	C	.	.	H	α-helix	trans	-62.3	-49.1	174.9	177.3	0	0	0	0	110.7	F559 L810 M811 V812 L816 A817 V818	F559-V814 HydrophobicContact CE1-CG2 3.8Å; F559-V814 HydrophobicContact CZ-CG2 3.63Å; L810-V814 WeakPolarHBondContact O-CG2 3.27Å; L810-V814 PolarHBondContact O-N 3.32Å; M811-V814 PolarHBondContact O-N 2.98Å; V812-V814 PolarHBondContact O-N 2.89Å; V814-L816 VanDerWaalsContact C-N 3.31Å; V814-L816 PolarHBondContact O-N 2.98Å; V814-A817 WeakPolarHBondContact O-CB 3.23Å; V814-A817 PolarHBondContact O-N 3.01Å; V814-V818 WeakPolarHBondContact O-CG2 3.36Å; V814-V818 PolarHBondContact O-N 2.99Å; V814-V818 VanDerWaalsContact O-N 3.17Å
815	M	93.5	Very high	91.3	Very high	23 Å²	23	17.2 Å²	17.2	11%	0.113	10%	0.095	C	C	.	.	H	α-helix	trans	-64.7	-34.4	179.5	-72.6	-58.9	98.1	0	0	112.9	T504 A507 M811 V812 V818 C819	T504-M815 HydrophobicContact CG2-CB 4.03Å; T504-M815 HydrophobicContact CG2-CG 4.48Å; T504-M815 HydrophobicContact CG2-SD 4.5Å; A507-M815 HydrophobicContact CB-CE 4.08Å; A507-M815 HydrophobicContact CB-CG 4.38Å; A507-M815 HydrophobicContact CB-SD 3.43Å; A507-M815 WeakPolarHBondContact CB-SD 3.35Å; M811-M815 HydrophobicContact CE-CE 3.77Å; M811-M815 HydrophobicContact CE-CG 3.96Å; M811-M815 HydrophobicContact CE-SD 4.12Å; M811-M815 WeakPolarHBondContact O-CB 3.4Å; M811-M815 WeakPolarHBondContact O-CG 3.33Å; M811-M815 PolarHBondContact O-N 3.28Å; V812-M815 PolarHBondContact O-N 3.17Å; M815-V818 HydrophobicContact CE-CG2 4.27Å; M815-V818 PolarHBondContact O-N 2.94Å; M815-C819 WeakPolarHBondContact O-CB 3.38Å; M815-C819 PolarHBondContact O-N 3.09Å
816	L	92.8	Very high	91.4	Very high	8 Å²	8	16.5 Å²	16.5	4%	0.042	9%	0.092	C	C	.	.	H	α-helix	trans	-64.3	-42.1	174.2	-173.2	150.2	0	0	0	111.6	G551 T554 A555 I781 V812 G813 V814 C819 S820 W826	G551-L816 WeakPolarHBondContact O-CD2 3.37Å; T554-L816 HydrophobicContact CG2-CD1 3.81Å; T554-L816 HydrophobicContact CG2-CD2 4.06Å; A555-L816 HydrophobicContact CB-CD2 4.15Å; I781-L816 HydrophobicContact CD1-CD1 3.28Å; I781-L816 HydrophobicContact CG1-CD1 4.48Å; V812-L816 VanDerWaalsContact O-CB 3.26Å; V812-L816 WeakPolarHBondContact O-CB 3.28Å; V812-L816 PolarHBondContact O-N 3.04Å; G813-L816 PolarHBondContact O-N 3.35Å; V814-L816 VanDerWaalsContact C-N 3.31Å; V814-L816 PolarHBondContact O-N 2.98Å; L816-C819 PolarHBondContact O-N 3.17Å; L816-S820 VanDerWaalsContact O-CB 3.29Å; L816-S820 WeakPolarHBondContact O-CB 3.42Å; L816-S820 PolarHBondContact O-N 3.18Å; L816-S820 PolarHBondContact O-OG 3.02Å; L816-W826 HydrophobicContact CD1-CB 4.48Å; L816-W826 HydrophobicContact CD1-CG 4.27Å; L816-W826 HydrophobicContact CG-CG 4.23Å
817	A	93.3	Very high	91.5	Very high	19 Å²	19	16.9 Å²	16.9	16%	0.157	9%	0.093	C	C	.	.	H	α-helix	trans	-59.5	-46.8	174.6	0	0	0	0	0	111.5	L552 A555 G813 V814 S820 I821	L552-A817 HydrophobicContact CD2-CB 4.5Å; A555-A817 HydrophobicContact CB-CB 3.79Å; G813-A817 PolarHBondContact O-N 3.4Å; G813-A817 VanDerWaalsContact O-N 3.13Å; V814-A817 WeakPolarHBondContact O-CB 3.23Å; V814-A817 PolarHBondContact O-N 3.01Å; A817-S820 PolarHBondContact O-N 3.21Å; A817-I821 WeakPolarHBondContact O-CG1 3.2Å; A817-I821 PolarHBondContact O-N 3.37Å
818	V	93.1	Very high	91.5	Very high	50 Å²	50	15.8 Å²	15.8	30%	0.303	9%	0.088	S	C	.	.	H	α-helix	trans	-61.3	-50.7	178	177.7	0	0	0	0	111.2	M503 V814 M815 S820 I821 M822	M503-V818 HydrophobicContact CE-CG1 3.7Å; M503-V818 HydrophobicContact SD-CG1 4.28Å; V814-V818 WeakPolarHBondContact O-CG2 3.36Å; V814-V818 PolarHBondContact O-N 2.99Å; V814-V818 VanDerWaalsContact O-N 3.17Å; M815-V818 HydrophobicContact CE-CG2 4.27Å; M815-V818 PolarHBondContact O-N 2.94Å; V818-S820 PolarHBondContact O-N 3.44Å; V818-I821 PolarHBondContact O-N 2.91Å; V818-M822 HydrophobicContact CG1-SD 3.82Å; V818-M822 WeakPolarHBondContact O-CB 3.2Å; V818-M822 WeakPolarHBondContact O-CG 3.49Å; V818-M822 PolarHBondContact O-N 3.41Å
819	C	91.2	Very high	91.4	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.007	9%	0.088	C	C	.	.	H	α-helix	trans	-59.5	-34.7	176.3	-77.6	0	0	0	0	112.9	T504 M815 L816 M822 G823 L824	T504-C819 WeakPolarHBondContact CG2-SG 3.45Å; M815-C819 WeakPolarHBondContact O-CB 3.38Å; M815-C819 PolarHBondContact O-N 3.09Å; L816-C819 PolarHBondContact O-N 3.17Å; C819-M822 PolarHBondContact O-N 2.87Å; C819-G823 PolarHBondContact O-N 3.32Å; C819-L824 HydrophobicContact CB-CB 3.99Å; C819-L824 PolarHBondContact O-N 3.39Å
820	S	91.8	Very high	91.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-69.4	-40.7	179.5	-58.1	0	0	0	0	112.5	G551 L816 A817 V818 M822 W826	G551-S820 WeakPolarHBondContact CA-OG 3.31Å; L816-S820 VanDerWaalsContact O-CB 3.29Å; L816-S820 WeakPolarHBondContact O-CB 3.42Å; L816-S820 PolarHBondContact O-N 3.18Å; L816-S820 PolarHBondContact O-OG 3.02Å; A817-S820 PolarHBondContact O-N 3.21Å; V818-S820 PolarHBondContact O-N 3.44Å; S820-M822 VanDerWaalsContact C-N 3.34Å; S820-W826 PolarHBondContact OG-NE1 3.42Å
821	I	90.8	Very high	91	Very high	63 Å²	63	15.5 Å²	15.5	32%	0.323	9%	0.089	S	C	.	.	H	α-helix	trans	-67.6	-36.5	174.3	-66.2	163.5	0	0	0	110.9	L552 L755 I756 A817 V818	L552-I821 HydrophobicContact CD2-CD1 4.22Å; L552-I821 HydrophobicContact CD2-CG1 4.21Å; L755-I821 HydrophobicContact CD1-CG2 3.62Å; L755-I821 HydrophobicContact CG-CG2 3.99Å; I756-I821 PolarHBondContact N-O 3.04Å; A817-I821 WeakPolarHBondContact O-CG1 3.2Å; A817-I821 PolarHBondContact O-N 3.37Å; V818-I821 PolarHBondContact O-N 2.91Å
822	M	88.3	Confident	90.6	Very high	39 Å²	39	14.6 Å²	14.6	19%	0.192	9%	0.085	C	C	.	.	H	α-helix	trans	-84.9	-6.6	-179.1	-64.4	-177.3	76.6	0	0	114.5	F499 M503 W754 V818 C819 S820 L824	F499-M822 HydrophobicContact CE1-CE 3.76Å; F499-M822 HydrophobicContact CZ-CE 4.34Å; M503-M822 HydrophobicContact CE-SD 3.8Å; M503-M822 HydrophobicContact SD-CE 4.39Å; M503-M822 HydrophobicContact SD-SD 3.87Å; W754-M822 CarbonylContact O-C 3.53Å; W754-M822 WeakPolarHBondContact O-CA 3.39Å; V818-M822 HydrophobicContact CG1-SD 3.82Å; V818-M822 WeakPolarHBondContact O-CB 3.2Å; V818-M822 WeakPolarHBondContact O-CG 3.49Å; V818-M822 PolarHBondContact O-N 3.41Å; C819-M822 PolarHBondContact O-N 2.87Å; S820-M822 VanDerWaalsContact C-N 3.34Å; M822-L824 VanDerWaalsContact C-N 3.3Å; M822-L824 HydrophobicContact CB-CD1 3.88Å; M822-L824 HydrophobicContact CB-CG 3.79Å; M822-L824 PolarHBondContact O-N 2.99Å; M822-L824 HydrophobicContact SD-CD1 4.31Å
823	G	86.5	Confident	90.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	29.1	-178.2	0	0	0	0	0	114.4	C819	C819-G823 PolarHBondContact O-N 3.32Å
824	L	89.4	Confident	90	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-91	153.5	175.6	-51.8	176.5	0	0	0	108.9	E496 F499 M503 R547 W754 C819 M822	E496-L824 HydrophobicContact CB-CD2 4.01Å; E496-L824 HydrophobicContact CG-CD2 4.42Å; F499-L824 HydrophobicContact CD1-CD1 3.91Å; F499-L824 HydrophobicContact CD1-CD2 3.99Å; F499-L824 HydrophobicContact CE1-CD1 4.11Å; M503-L824 HydrophobicContact CE-CD1 3.51Å; R547-L824 PolarHBondContact NE-O 3.23Å; R547-L824 PolarHBondContact NH2-O 3.03Å; R547-L824 VanDerWaalsContact NH2-O 3.15Å; W754-L824 HydrophobicContact CE3-CD2 4.26Å; W754-L824 HydrophobicContact CZ3-CD2 3.85Å; C819-L824 HydrophobicContact CB-CB 3.99Å; C819-L824 PolarHBondContact O-N 3.39Å; M822-L824 VanDerWaalsContact C-N 3.3Å; M822-L824 HydrophobicContact CB-CD1 3.88Å; M822-L824 HydrophobicContact CB-CG 3.79Å; M822-L824 PolarHBondContact O-N 2.99Å; M822-L824 HydrophobicContact SD-CD1 4.31Å
825	P	90	Very high	89.5	Confident	4 Å²	4	13.9 Å²	13.9	3%	0.026	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-61.3	155.1	171.6	22.8	-28.1	0	0	0	111.1	L484 I492 F827	L484-P825 HydrophobicContact CD2-CB 4.04Å; I492-P825 HydrophobicContact CG2-CG 4.45Å; P825-F827 HydrophobicContact CB-CE2 4.32Å; P825-F827 HydrophobicContact CB-CZ 4.5Å; P825-F827 HydrophobicContact CG-CE2 3.78Å; P825-F827 HydrophobicContact CG-CZ 3.83Å; P825-F827 WeakPolarHBondContact O-CD2 3.47Å; P825-F827 WeakPolarHBondContact O-CE2 3.34Å
826	W	91.3	Very high	88.9	Confident	2 Å²	2	13.3 Å²	13.3	1%	0.008	8%	0.077	C	C	.	.	P	Polyproline II helix	trans	-83.6	137.3	176.9	-55.2	-41.2	0	0	0	110.6	V525 F528 R547 I550 C777 L816 S820	V525-W826 HydrophobicContact CG1-CB 4.28Å; V525-W826 HydrophobicContact CG1-CE3 4.35Å; F528-W826 AromaticContact CD1-CZ3 3.8Å; F528-W826 HydrophobicContact CD1-CZ3 3.8Å; F528-W826 AromaticContact CE1-CH2 3.93Å; F528-W826 HydrophobicContact CE1-CH2 3.93Å; F528-W826 AromaticContact CE1-CZ3 3.59Å; F528-W826 HydrophobicContact CE1-CZ3 3.59Å; R547-W826 HydrophobicContact CG-CH2 4.47Å; R547-W826 HydrophobicContact CG-CZ2 3.92Å; I550-W826 HydrophobicContact CB-CH2 4.47Å; I550-W826 HydrophobicContact CG2-CH2 3.85Å; C777-W826 VanDerWaalsContact SG-CZ3 3.57Å; L816-W826 HydrophobicContact CD1-CB 4.48Å; L816-W826 HydrophobicContact CD1-CG 4.27Å; L816-W826 HydrophobicContact CG-CG 4.23Å; S820-W826 PolarHBondContact OG-NE1 3.42Å
827	F	91.1	Very high	88.6	Confident	13 Å²	13	13 Å²	13	6%	0.057	8%	0.075	C	C	.	.			trans	-115.4	136.7	-178.6	-68.6	-87.7	0	0	0	109.9	S497 A501 T504 L519 G520 P825	S497-F827 VanDerWaalsContact O-CZ 3.24Å; S497-F827 WeakPolarHBondContact O-CZ 3.46Å; A501-F827 HydrophobicContact CB-CD1 4.18Å; A501-F827 HydrophobicContact CB-CE1 3.54Å; A501-F827 HydrophobicContact CB-CZ 3.75Å; A501-F827 VanDerWaalsContact N-CZ 3.34Å; T504-F827 HydrophobicContact CG2-CD2 4.15Å; L519-F827 HydrophobicContact CB-CB 4.26Å; G520-F827 VanDerWaalsContact C-CD1 3.49Å; P825-F827 HydrophobicContact CB-CE2 4.32Å; P825-F827 HydrophobicContact CB-CZ 4.5Å; P825-F827 HydrophobicContact CG-CE2 3.78Å; P825-F827 HydrophobicContact CG-CZ 3.83Å; P825-F827 WeakPolarHBondContact O-CD2 3.47Å; P825-F827 WeakPolarHBondContact O-CE2 3.34Å
828	V	90.1	Very high	88.3	Confident	1 Å²	1	12.2 Å²	12.2	1%	0.006	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	161.1	-177.3	-168.3	0	0	0	0	108.3	L519 G520 T522 V525 I781 D784 Q785 A830	L519-V828 CarbonylContact C-O 3.45Å; L519-V828 WeakPolarHBondContact CA-O 3.38Å; G520-V828 PolarHBondContact N-O 3.45Å; G520-V828 PolarHBondContact O-N 3.38Å; T522-V828 HydrophobicContact CG2-CB 4.45Å; V525-V828 HydrophobicContact CG2-CG2 4.14Å; I781-V828 HydrophobicContact CG1-CG2 3.92Å; I781-V828 HydrophobicContact CG2-CG1 4.31Å; I781-V828 HydrophobicContact CG2-CG2 4.3Å; D784-V828 HydrophobicContact CB-CG1 3.61Å; Q785-V828 HydrophobicContact CB-CG1 4.46Å; V828-A830 PolarHBondContact O-N 2.99Å
829	A	90.1	Very high	87.7	Confident	2 Å²	2	13.3 Å²	13.3	2%	0.017	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	125.6	176.1	0	0	0	0	0	112.7	T517 T788	T517-A829 HydrophobicContact CG2-CB 3.34Å; T788-A829 HydrophobicContact CG2-CB 3.69Å
830	A	88.3	Confident	87.2	Confident	14 Å²	14	14.1 Å²	14.1	12%	0.116	8%	0.079	C	C	.	.			trans	-96.7	109.8	176.9	0	0	0	0	0	110.1	I518 V828 L833 S834	I518-A830 PolarHBondContact O-N 2.92Å; V828-A830 PolarHBondContact O-N 2.99Å; A830-L833 HydrophobicContact CB-CB 4.14Å; A830-L833 HydrophobicContact CB-CD1 3.93Å; A830-L833 HydrophobicContact CB-CG 4.36Å; A830-L833 PolarHBondContact O-N 3.4Å; A830-S834 WeakPolarHBondContact O-CB 3.27Å; A830-S834 PolarHBondContact O-N 2.64Å; A830-S834 PolarHBondContact O-OG 3.27Å
831	T	86.1	Confident	86.8	Confident	12 Å²	12	14.1 Å²	14.1	7%	0.074	8%	0.079	C	C	.	.	H	α-helix	trans	-53	-58.3	-176.4	50.1	0	0	0	0	113.3	F581 T788 I791 L833 S834 I835	F581-T831 HydrophobicContact CE1-CG2 4.07Å; T788-T831 HydrophobicContact CG2-CG2 4.11Å; T788-T831 WeakPolarHBondContact OG1-CG2 3.48Å; I791-T831 HydrophobicContact CD1-CG2 4.1Å; T831-L833 PolarHBondContact O-N 2.73Å; T831-S834 PolarHBondContact O-N 3.07Å; T831-I835 VanDerWaalsContact O-CG1 3.25Å; T831-I835 WeakPolarHBondContact O-CG1 3.39Å; T831-I835 PolarHBondContact O-N 3.03Å
832	V	84.1	Confident	86.3	Confident	2 Å²	2	14.9 Å²	14.9	1%	0.012	8%	0.079	C	C	.	.	H	α-helix	trans	-63.5	-39.6	-173.7	177	0	0	0	0	112.3	I585 F589 S836 M898	I585-V832 HydrophobicContact CG2-CG2 3.79Å; F589-V832 HydrophobicContact CD2-CG2 4.1Å; F589-V832 HydrophobicContact CE2-CB 4.49Å; F589-V832 HydrophobicContact CE2-CG2 4.21Å; F589-V832 HydrophobicContact CG-CG2 4.47Å; F589-V832 HydrophobicContact CZ-CB 4.49Å; V832-S836 VanDerWaalsContact O-CB 3.31Å; V832-S836 WeakPolarHBondContact O-CB 3.28Å; V832-S836 PolarHBondContact O-N 3.46Å; V832-S836 PolarHBondContact O-OG 3.49Å; V832-M898 HydrophobicContact CG1-CB 4.26Å
833	L	84.8	Confident	85.5	Confident	9 Å²	9	15.1 Å²	15.1	5%	0.047	8%	0.081	C	C	.	.	H	α-helix	trans	-66.7	-41.8	176.1	-69.8	171.5	0	0	0	111	A472 I518 A830 T831 S836 H837 M898	A472-L833 HydrophobicContact CB-CD2 4.1Å; I518-L833 HydrophobicContact CB-CB 4.46Å; I518-L833 HydrophobicContact CG2-CB 4.34Å; A830-L833 HydrophobicContact CB-CB 4.14Å; A830-L833 HydrophobicContact CB-CD1 3.93Å; A830-L833 HydrophobicContact CB-CG 4.36Å; A830-L833 PolarHBondContact O-N 3.4Å; T831-L833 PolarHBondContact O-N 2.73Å; L833-S836 PolarHBondContact O-N 2.98Å; L833-H837 PolarHBondContact O-N 2.02Å; L833-M898 HydrophobicContact CD2-SD 4.49Å
834	S	88.6	Confident	84.7	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-68.9	-40.9	178.1	-51.3	0	0	0	0	112.5	I518 A830 T831 S836 H837 V838	I518-S834 PolarHBondContact N-OG 3.23Å; A830-S834 WeakPolarHBondContact O-CB 3.27Å; A830-S834 PolarHBondContact O-N 2.64Å; A830-S834 PolarHBondContact O-OG 3.27Å; T831-S834 PolarHBondContact O-N 3.07Å; S834-S836 VanDerWaalsContact C-N 3.3Å; S834-S836 PolarHBondContact O-N 2.88Å; S834-H837 VanDerWaalsContact O-CB 3.31Å; S834-H837 WeakPolarHBondContact O-CB 3.42Å; S834-H837 PolarHBondContact O-N 3.45Å; S834-V838 VanDerWaalsContact O-CG2 3.27Å; S834-V838 WeakPolarHBondContact O-CG2 3.12Å; S834-V838 PolarHBondContact O-N 2.88Å
835	I	84.8	Confident	83.3	Confident	29 Å²	29	19.2 Å²	19.2	15%	0.149	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-41.1	172.5	-66.2	162.2	0	0	0	110.3	I791 T831 H837 V838 N839	I791-I835 HydrophobicContact CG2-CD1 3.82Å; I791-I835 HydrophobicContact CG2-CG1 3.78Å; T831-I835 VanDerWaalsContact O-CG1 3.25Å; T831-I835 WeakPolarHBondContact O-CG1 3.39Å; T831-I835 PolarHBondContact O-N 3.03Å; I835-H837 VanDerWaalsContact C-N 3.34Å; I835-H837 PolarHBondContact O-N 3.02Å; I835-V838 PolarHBondContact O-N 3.2Å; I835-N839 WeakPolarHBondContact CG2-ND2 3.42Å; I835-N839 WeakPolarHBondContact O-CB 3.37Å; I835-N839 PolarHBondContact O-N 2.88Å; I835-N839 PolarHBondContact O-ND2 3.38Å; I835-N839 VanDerWaalsContact O-ND2 3.16Å
836	S	81.6	Confident	81.6	Confident	12 Å²	12	27.5 Å²	27.5	8%	0.084	14%	0.141	C	C	.	.	H	α-helix	trans	-65.4	-36.8	176.3	-60.4	0	0	0	0	112.1	V832 L833 S834 S840	V832-S836 VanDerWaalsContact O-CB 3.31Å; V832-S836 WeakPolarHBondContact O-CB 3.28Å; V832-S836 PolarHBondContact O-N 3.46Å; V832-S836 PolarHBondContact O-OG 3.49Å; L833-S836 PolarHBondContact O-N 2.98Å; S834-S836 VanDerWaalsContact C-N 3.3Å; S834-S836 PolarHBondContact O-N 2.88Å; S836-S840 PolarHBondContact O-N 2.74Å; S836-S840 VanDerWaalsContact O-N 3.09Å
837	H	86.4	Confident	79.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.1	-54.1	172.9	-169.5	-155.2	0	0	0	111.3	L469 L516 I518 L833 S834 I835 N839 S840 L841 T865	L469-H837 HydrophobicContact CD2-CB 3.49Å; L469-H837 VanDerWaalsContact CD2-CB 3.49Å; L516-H837 PolarHBondContact O-ND1 3.37Å; I518-H837 HydrophobicContact CD1-CB 3.79Å; I518-H837 HydrophobicContact CG1-CB 4.46Å; L833-H837 PolarHBondContact O-N 2.02Å; S834-H837 VanDerWaalsContact O-CB 3.31Å; S834-H837 WeakPolarHBondContact O-CB 3.42Å; S834-H837 PolarHBondContact O-N 3.45Å; I835-H837 VanDerWaalsContact C-N 3.34Å; I835-H837 PolarHBondContact O-N 3.02Å; H837-N839 VanDerWaalsContact C-N 3.33Å; H837-N839 PolarHBondContact O-N 3.01Å; H837-S840 PolarHBondContact O-N 3.02Å; H837-S840 PolarHBondContact O-OG 2.87Å; H837-L841 PolarHBondContact O-N 2.82Å; H837-T865 PolarHBondContact CE1-OG1 3.42Å; H837-T865 PolarHBondContact NE2-OG1 3.5Å
838	V	86.2	Confident	77.5	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-55.4	-46.3	177.3	173.2	0	0	0	0	111.3	L516 I792 S834 I835 S840 L841 K842 I859	L516-V838 HydrophobicContact CB-CG2 4.16Å; L516-V838 HydrophobicContact CD1-CG2 4.21Å; I792-V838 HydrophobicContact CG1-CG2 4.46Å; I792-V838 HydrophobicContact CG2-CG2 4.01Å; S834-V838 VanDerWaalsContact O-CG2 3.27Å; S834-V838 WeakPolarHBondContact O-CG2 3.12Å; S834-V838 PolarHBondContact O-N 2.88Å; I835-V838 PolarHBondContact O-N 3.2Å; V838-S840 VanDerWaalsContact C-N 3.29Å; V838-S840 PolarHBondContact O-N 3Å; V838-L841 PolarHBondContact O-N 3.48Å; V838-L841 VanDerWaalsContact O-N 3.12Å; V838-K842 PolarHBondContact O-N 2.83Å; V838-I859 HydrophobicContact CG1-CD1 3.43Å; V838-I859 VanDerWaalsContact CG1-CD1 3.43Å; V838-I859 HydrophobicContact CG1-CG1 4.28Å
839	N	80.8	Confident	75.7	Confident	74 Å²	74	34 Å²	34	40%	0.396	19%	0.192	S	C	.	.	H	α-helix	trans	-65.5	-27.4	178.6	-77.8	-35.7	0	0	0	113.7	I835 H837 L841	I835-N839 WeakPolarHBondContact CG2-ND2 3.42Å; I835-N839 WeakPolarHBondContact O-CB 3.37Å; I835-N839 PolarHBondContact O-N 2.88Å; I835-N839 PolarHBondContact O-ND2 3.38Å; I835-N839 VanDerWaalsContact O-ND2 3.16Å; H837-N839 VanDerWaalsContact C-N 3.33Å; H837-N839 PolarHBondContact O-N 3.01Å; N839-L841 VanDerWaalsContact C-N 3.33Å
840	S	79.9	Confident	73.6	Confident	18 Å²	18	35.2 Å²	35.2	13%	0.126	20%	0.199	C	C	.	.	H	α-helix	trans	-74.9	-22.3	174.2	76	0	0	0	0	113.5	Q461 S465 S836 H837 V838	Q461-S840 PolarHBondContact NE2-O 3.28Å; S465-S840 PolarHBondContact OG-OG 2.84Å; S836-S840 PolarHBondContact O-N 2.74Å; S836-S840 VanDerWaalsContact O-N 3.09Å; H837-S840 PolarHBondContact O-N 3.02Å; H837-S840 PolarHBondContact O-OG 2.87Å; V838-S840 VanDerWaalsContact C-N 3.29Å; V838-S840 PolarHBondContact O-N 3Å
841	L	83.4	Confident	72	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	8.4	-176.9	-65	166.5	0	0	0	113.5	L516 H837 V838 N839 I859 R860 Q862 T865	L516-L841 HydrophobicContact CD2-CD1 3.57Å; H837-L841 PolarHBondContact O-N 2.82Å; V838-L841 PolarHBondContact O-N 3.48Å; V838-L841 VanDerWaalsContact O-N 3.12Å; N839-L841 VanDerWaalsContact C-N 3.33Å; L841-I859 HydrophobicContact CB-CG2 4.04Å; L841-I859 WeakPolarHBondContact O-CA 3.38Å; L841-R860 PolarHBondContact O-N 3.4Å; L841-Q862 VanDerWaalsContact CD1-NE2 3.26Å; L841-T865 HydrophobicContact CD2-CG2 4.49Å
842	K	80.8	Confident	70.3	Confident	78 Å²	78	36.9 Å²	36.9	34%	0.339	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	126	176.5	167.1	156.3	-178.8	-179.4	0	111.3	Q461 V838 E844 F856 I859	Q461-K842 PolarHBondContact NE2-O 3.44Å; Q461-K842 VanDerWaalsContact NE2-O 3.16Å; V838-K842 PolarHBondContact O-N 2.83Å; K842-E844 WeakPolarHBondContact CE-OE1 3.48Å; K842-F856 HydrophobicContact CB-CE2 4.38Å; K842-F856 HydrophobicContact CD-CD2 3.98Å; K842-F856 HydrophobicContact CD-CE2 3.97Å; K842-F856 HydrophobicContact CG-CD2 3.8Å; K842-F856 HydrophobicContact CG-CE2 3.68Å; K842-I859 HydrophobicContact CB-CG1 4.35Å
843	L	71.4	Confident	68.8	Low	44 Å²	44	42.1 Å²	42.1	23%	0.23	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.6	171.8	-64.1	178.6	0	0	0	111.5	Q461 F856 L857 G858 R860	Q461-L843 VanDerWaalsContact OE1-CD2 3.3Å; L843-F856 VanDerWaalsContact O-CD2 3.24Å; L843-F856 WeakPolarHBondContact O-CD2 3.37Å; L843-L857 HydrophobicContact CB-CB 4.48Å; L843-L857 PolarHBondContact O-N 2.78Å; L843-L857 VanDerWaalsContact O-N 3.13Å; L843-G858 WeakPolarHBondContact CB-O 3.34Å; L843-G858 PolarHBondContact N-O 3Å; L843-R860 HydrophobicContact CD1-CG 3.69Å; L843-R860 HydrophobicContact CD2-CG 4.24Å; L843-R860 HydrophobicContact CG-CG 3.99Å
844	E	69.9	Low	67.6	Low	64 Å²	64	45.2 Å²	45.2	30%	0.299	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.4	170.9	-77	157.3	-145.3	0	0	107.8	K700 K842 E846 P854	K700-E844 WeakPolarHBondContact CE-OE2 3.31Å; K700-E844 IonicContact NZ-OE1 3.05Å; K700-E844 PolarHBondContact NZ-OE1 2.88Å; K700-E844 IonicContact NZ-OE2 2.85Å; K700-E844 PolarHBondContact NZ-OE2 2.74Å; K842-E844 WeakPolarHBondContact CE-OE1 3.48Å; E844-E846 PolarHBondContact O-N 3.45Å; E844-P854 HydrophobicContact CB-CB 4.29Å
845	S	60.6	Low	66.2	Low	23 Å²	23	50.4 Å²	50.4	16%	0.161	28%	0.279	C	S	.	.			trans	-64	126.8	-175.9	60.1	0	0	0	0	112.4	R855	S845-R855 PolarHBondContact N-O 2.97Å; S845-R855 PolarHBondContact OG-N 3.26Å
846	E	53.9	Low	65.6	Low	178 Å²	178	51 Å²	51	83%	0.832	28%	0.281	S	S	*	.	S	Bend	trans	-73.3	-36.5	175.9	-63.2	-165	171.3	0	0	112.5	E844	E844-E846 PolarHBondContact O-N 3.45Å
847	S	47.2	Very low	64.9	Low	103 Å²	103	55.9 Å²	55.9	72%	0.72	31%	0.305	S	S	*	.			trans	-92.1	109.4	176	-54	0	0	0	0	110.2
848	A	49.2	Very low	64.4	Low	37 Å²	37	56.3 Å²	56.3	31%	0.306	31%	0.31	S	S	.	.			trans	-123.6	135.5	163.8	0	0	0	0	0	107.5	E852	A848-E852 HydrophobicContact CB-CB 4.26Å; A848-E852 WeakPolarHBondContact CB-O 3.5Å
849	A	51.1	Low	64.3	Low	13 Å²	13	56.9 Å²	56.9	11%	0.107	31%	0.312	C	S	.	.			trans	-57.7	153.5	167.6	0	0	0	0	0	109.2	L133 K134 G851 E852	L133-A849 HydrophobicContact CD2-CB 4.2Å; K134-A849 HydrophobicContact CD-CB 4.31Å; A849-G851 PolarHBondContact O-N 3.2Å; A849-E852 PolarHBondContact O-N 2.98Å
850	P	47.4	Very low	64.5	Low	26 Å²	26	57.3 Å²	57.3	17%	0.169	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	128	174.4	-27	35.5	0	0	0	111.2	E137 P149 K277 E852	E137-P850 WeakPolarHBondContact OE1-CB 3.01Å; P149-P850 HydrophobicContact CB-CB 4.17Å; P149-P850 HydrophobicContact CG-CB 3.67Å; P149-P850 WeakPolarHBondContact CG-O 3.24Å; K277-P850 HydrophobicContact CD-CG 3.92Å; P850-E852 PolarHBondContact O-N 3.48Å
851	G	52.9	Low	64.7	Low	39 Å²	39	57.1 Å²	57.1	40%	0.402	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	-19.1	178.5	0	0	0	0	0	115.7	P149 A849	P149-G851 VanDerWaalsContact CG-N 3.32Å; A849-G851 PolarHBondContact O-N 3.2Å
852	E	51.5	Low	64.9	Low	23 Å²	23	57.1 Å²	57.1	11%	0.107	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-81.1	134	179.3	-175.2	161	-152.6	0	0	112	A848 A849 P850 R855	A848-E852 HydrophobicContact CB-CB 4.26Å; A848-E852 WeakPolarHBondContact CB-O 3.5Å; A849-E852 PolarHBondContact O-N 2.98Å; P850-E852 PolarHBondContact O-N 3.48Å; E852-R855 IonicContact OE1-CZ 3.42Å; E852-R855 IonicContact OE1-NE 2.74Å; E852-R855 PolarHBondContact OE1-NE 3.48Å; E852-R855 IonicContact OE1-NH2 3.25Å; E852-R855 PolarHBondContact OE1-NH2 3.39Å
853	Q	53.4	Low	65.3	Low	111 Å²	111	53.7 Å²	53.7	52%	0.519	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-76.4	145.4	175	-68.5	-155.8	-4.8	0	0	111.1	R855	Q853-R855 PolarHBondContact O-N 3.31Å; Q853-R855 VanDerWaalsContact O-N 3.14Å
854	P	57.6	Low	66.2	Low	74 Å²	74	53.7 Å²	53.7	48%	0.481	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-60.9	120	-175.7	24.5	-34.6	0	0	0	111.3	E844	E844-P854 HydrophobicContact CB-CB 4.29Å
855	R	59.4	Low	67.1	Low	109 Å²	109	50.7 Å²	50.7	41%	0.411	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-74.3	134.8	-179.9	-64.8	-174.1	-179.9	-149.7	-1.8	109.4	V397 S845 E852 Q853 L857	V397-R855 PolarHBondContact O-NH2 2.61Å; S845-R855 PolarHBondContact N-O 2.97Å; S845-R855 PolarHBondContact OG-N 3.26Å; E852-R855 IonicContact OE1-CZ 3.42Å; E852-R855 IonicContact OE1-NE 2.74Å; E852-R855 PolarHBondContact OE1-NE 3.48Å; E852-R855 IonicContact OE1-NH2 3.25Å; E852-R855 PolarHBondContact OE1-NH2 3.39Å; Q853-R855 PolarHBondContact O-N 3.31Å; Q853-R855 VanDerWaalsContact O-N 3.14Å; R855-L857 PolarHBondContact O-N 3.39Å
856	F	73	Confident	68.5	Low	43 Å²	43	49.7 Å²	49.7	19%	0.189	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	110.4	170.5	172.6	-116.4	0	0	0	109.7	E796 H797 K798 K842 L843 G858 I859	E796-F856 VanDerWaalsContact O-CE1 3.25Å; E796-F856 WeakPolarHBondContact O-CE1 3.48Å; H797-F856 WeakPolarHBondContact O-CZ 3.2Å; K798-F856 HydrophobicContact CB-CE1 4.16Å; K798-F856 HydrophobicContact CD-CD1 3.99Å; K798-F856 HydrophobicContact CD-CE1 4Å; K798-F856 HydrophobicContact CG-CD1 4.39Å; K798-F856 HydrophobicContact CG-CE1 3.96Å; K798-F856 PolarHBondContact NZ-O 3.24Å; K842-F856 HydrophobicContact CB-CE2 4.38Å; K842-F856 HydrophobicContact CD-CD2 3.98Å; K842-F856 HydrophobicContact CD-CE2 3.97Å; K842-F856 HydrophobicContact CG-CD2 3.8Å; K842-F856 HydrophobicContact CG-CE2 3.68Å; L843-F856 VanDerWaalsContact O-CD2 3.24Å; L843-F856 WeakPolarHBondContact O-CD2 3.37Å; F856-G858 VanDerWaalsContact CE2-C 3.46Å; F856-G858 WeakPolarHBondContact CE2-O 2.99Å; F856-I859 HydrophobicContact CE2-CD1 4.43Å; F856-I859 HydrophobicContact CE2-CG1 4.17Å; F856-I859 HydrophobicContact CZ-CD1 3.94Å; F856-I859 HydrophobicContact CZ-CG1 4.06Å
857	L	66.1	Low	70.3	Confident	114 Å²	114	42.8 Å²	42.8	60%	0.597	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80	-43.9	-177.3	-73.1	168.2	0	0	0	111.4	L843 R855	L843-L857 HydrophobicContact CB-CB 4.48Å; L843-L857 PolarHBondContact O-N 2.78Å; L843-L857 VanDerWaalsContact O-N 3.13Å; R855-L857 PolarHBondContact O-N 3.39Å
858	G	77.8	Confident	72.4	Confident	9 Å²	9	39.6 Å²	39.6	9%	0.093	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.1	-168.6	-178	0	0	0	0	0	111.6	L843 F856	L843-G858 WeakPolarHBondContact CB-O 3.34Å; L843-G858 PolarHBondContact N-O 3Å; F856-G858 VanDerWaalsContact CE2-C 3.46Å; F856-G858 WeakPolarHBondContact CE2-O 2.99Å
859	I	84.1	Confident	74.4	Confident	15 Å²	15	37.9 Å²	37.9	8%	0.077	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.5	175.7	-80.3	144.4	0	0	0	109.8	L516 H797 L799 V838 L841 K842 F856 E861	L516-I859 HydrophobicContact CD1-CG2 4.01Å; H797-I859 HydrophobicContact CB-CD1 3.49Å; H797-I859 VanDerWaalsContact CB-CD1 3.49Å; H797-I859 WeakPolarHBondContact ND1-CD1 3.24Å; L799-I859 HydrophobicContact CD2-CB 4.1Å; L799-I859 HydrophobicContact CD2-CG2 4.14Å; V838-I859 HydrophobicContact CG1-CD1 3.43Å; V838-I859 VanDerWaalsContact CG1-CD1 3.43Å; V838-I859 HydrophobicContact CG1-CG1 4.28Å; L841-I859 HydrophobicContact CB-CG2 4.04Å; L841-I859 WeakPolarHBondContact O-CA 3.38Å; K842-I859 HydrophobicContact CB-CG1 4.35Å; F856-I859 HydrophobicContact CE2-CD1 4.43Å; F856-I859 HydrophobicContact CE2-CG1 4.17Å; F856-I859 HydrophobicContact CZ-CD1 3.94Å; F856-I859 HydrophobicContact CZ-CG1 4.06Å; I859-E861 PolarHBondContact O-N 2.93Å
860	R	83.3	Confident	76.3	Confident	83 Å²	83	37.3 Å²	37.3	31%	0.313	20%	0.195	S	C	.	.			trans	-73	107.2	172.6	-74.7	-167.6	171.8	130.6	9.3	110.6	S459 L841 L843	S459-R860 PolarHBondContact OG-NH1 2.99Å; L841-R860 PolarHBondContact O-N 3.4Å; L843-R860 HydrophobicContact CD1-CG 3.69Å; L843-R860 HydrophobicContact CD2-CG 4.24Å; L843-R860 HydrophobicContact CG-CG 3.99Å
861	E	84.1	Confident	78.4	Confident	14 Å²	14	40.6 Å²	40.6	7%	0.065	21%	0.211	C	C	.	.			trans	-83.9	110.8	172.6	-63.7	-179.7	106.4	0	0	110	L516 L799 L800 K801 I859	L516-E861 HydrophobicContact CD1-CG 4.33Å; L799-E861 HydrophobicContact CD2-CG 3.75Å; L800-E861 PolarHBondContact N-OE2 3.28Å; K801-E861 WeakPolarHBondContact CB-OE2 3.41Å; K801-E861 HydrophobicContact CD-CB 3.82Å; K801-E861 WeakPolarHBondContact CG-OE2 3.4Å; K801-E861 PolarHBondContact N-OE2 3.07Å; K801-E861 PolarHBondContact NZ-O 2.95Å; I859-E861 PolarHBondContact O-N 2.93Å
862	Q	87.7	Confident	80	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.			trans	-151.4	159	-177.4	49	67.8	46.7	0	0	110.9	D453 D456 L841 L864 T865	D453-Q862 WeakPolarHBondContact O-CA 3.46Å; D453-Q862 WeakPolarHBondContact O-CB 3.45Å; D456-Q862 HydrophobicContact CB-CB 4.4Å; L841-Q862 VanDerWaalsContact CD1-NE2 3.26Å; Q862-L864 VanDerWaalsContact OE1-N 3.09Å; Q862-T865 PolarHBondContact NE2-OG1 3.27Å; Q862-T865 PolarHBondContact OE1-OG1 3.48Å
863	R	89.9	Confident	81.7	Confident	6 Å²	6	40 Å²	40	2%	0.023	20%	0.199	C	C	.	.	S	Bend	trans	-99.2	-19.1	-178.2	-72	173.9	-174.4	-87	-6.2	113.7	D453 F454 S509 L510 A512 P515 L867	D453-R863 HydrophobicContact CB-CB 4.33Å; D453-R863 HydrophobicContact CB-CG 3.9Å; D453-R863 PolarHBondContact O-N 3.31Å; D453-R863 WeakPolarHBondContact OD2-CD 3.09Å; D453-R863 IonicContact OD2-CZ 2.74Å; D453-R863 IonicContact OD2-NE 2.78Å; D453-R863 PolarHBondContact OD2-NE 2.92Å; D453-R863 IonicContact OD2-NH2 3.19Å; F454-R863 HydrophobicContact CE2-CB 4.45Å; F454-R863 HydrophobicContact CZ-CB 4.21Å; S509-R863 PolarHBondContact O-NH1 3.17Å; L510-R863 PolarHBondContact O-NH1 3.24Å; A512-R863 PolarHBondContact O-NH1 3.23Å; A512-R863 PolarHBondContact O-NH2 3.13Å; P515-R863 HydrophobicContact CB-CB 4.43Å; P515-R863 HydrophobicContact CB-CG 3.65Å; P515-R863 HydrophobicContact CG-CG 3.73Å; R863-L867 PolarHBondContact O-N 3Å
864	L	89.8	Confident	83.2	Confident	44 Å²	44	35.9 Å²	35.9	23%	0.23	19%	0.187	C	C	.	.	H	α-helix	trans	-68.5	-40.9	-166.4	-175.8	62.4	0	0	0	113	F454 L458 Q862 L867 V868	F454-L864 HydrophobicContact CD1-CD1 4.43Å; L458-L864 HydrophobicContact CD2-CD2 4.18Å; Q862-L864 VanDerWaalsContact OE1-N 3.09Å; L864-L867 PolarHBondContact O-N 3.07Å; L864-V868 HydrophobicContact CD1-CG2 4.02Å; L864-V868 HydrophobicContact CG-CG2 4.29Å; L864-V868 WeakPolarHBondContact O-CB 3.47Å; L864-V868 VanDerWaalsContact O-CG2 3.27Å; L864-V868 WeakPolarHBondContact O-CG2 3.19Å; L864-V868 PolarHBondContact O-N 3.41Å
865	T	89.8	Confident	84.4	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-62	-49.3	-180	53.8	0	0	0	0	111.7	C462 H837 L841 Q862 L867 V868 I869	C462-T865 HydrophobicContact CB-CG2 3.9Å; H837-T865 PolarHBondContact CE1-OG1 3.42Å; H837-T865 PolarHBondContact NE2-OG1 3.5Å; L841-T865 HydrophobicContact CD2-CG2 4.49Å; Q862-T865 PolarHBondContact NE2-OG1 3.27Å; Q862-T865 PolarHBondContact OE1-OG1 3.48Å; T865-L867 PolarHBondContact O-N 3.05Å; T865-V868 PolarHBondContact O-N 3.35Å; T865-I869 WeakPolarHBondContact O-CB 3.28Å; T865-I869 VanDerWaalsContact O-CD1 3.32Å; T865-I869 WeakPolarHBondContact O-CD1 3.45Å; T865-I869 WeakPolarHBondContact O-CG1 3.42Å; T865-I869 PolarHBondContact O-N 3.4Å
866	G	89.1	Confident	85.3	Confident	2 Å²	2	29.7 Å²	29.7	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-56.6	-50	177.5	0	0	0	0	0	111.3	S509 V868 I869 F870	S509-G866 VanDerWaalsContact OG-C 3.23Å; G866-V868 VanDerWaalsContact C-N 3.35Å; G866-V868 PolarHBondContact O-N 2.99Å; G866-I869 PolarHBondContact O-N 3.06Å; G866-F870 WeakPolarHBondContact O-CD2 3.46Å; G866-F870 PolarHBondContact O-N 3.08Å; G866-F870 VanDerWaalsContact O-N 3.08Å
867	L	91.8	Very high	85.4	Confident	33 Å²	33	29.1 Å²	29.1	17%	0.173	16%	0.161	C	C	.	.	H	α-helix	trans	-54.7	-48.6	176.3	-176.4	67.5	0	0	0	112.1	F454 V506 S509 L510 R863 L864 T865 L871	F454-L867 HydrophobicContact CE1-CD2 4.16Å; V506-L867 HydrophobicContact CG1-CD1 3.93Å; V506-L867 HydrophobicContact CG2-CD1 4.49Å; S509-L867 PolarHBondContact OG-N 3.44Å; L510-L867 HydrophobicContact CD1-CD1 4.35Å; L510-L867 HydrophobicContact CD2-CD1 3.94Å; L510-L867 HydrophobicContact CD2-CD2 4.22Å; L510-L867 HydrophobicContact CG-CD1 3.95Å; R863-L867 PolarHBondContact O-N 3Å; L864-L867 PolarHBondContact O-N 3.07Å; T865-L867 PolarHBondContact O-N 3.05Å; L867-L871 WeakPolarHBondContact O-CB 3.48Å; L867-L871 PolarHBondContact O-N 3.43Å
868	V	91.4	Very high	85.8	Confident	36 Å²	36	32.6 Å²	32.6	22%	0.218	17%	0.172	C	C	.	.	H	α-helix	trans	-67.5	-40.5	-179.6	170.8	0	0	0	0	111.9	F466 L864 T865 G866 F870 L871 L872	F466-V868 HydrophobicContact CB-CG1 4.16Å; F466-V868 HydrophobicContact CD1-CB 4.49Å; F466-V868 HydrophobicContact CD1-CG1 3.91Å; F466-V868 HydrophobicContact CD2-CG1 3.71Å; F466-V868 HydrophobicContact CE1-CG1 4.16Å; F466-V868 HydrophobicContact CE2-CG1 4Å; F466-V868 HydrophobicContact CG-CB 4.44Å; F466-V868 HydrophobicContact CG-CG1 3.7Å; F466-V868 HydrophobicContact CZ-CG1 4.22Å; L864-V868 HydrophobicContact CD1-CG2 4.02Å; L864-V868 HydrophobicContact CG-CG2 4.29Å; L864-V868 WeakPolarHBondContact O-CB 3.47Å; L864-V868 VanDerWaalsContact O-CG2 3.27Å; L864-V868 WeakPolarHBondContact O-CG2 3.19Å; L864-V868 PolarHBondContact O-N 3.41Å; T865-V868 PolarHBondContact O-N 3.35Å; G866-V868 VanDerWaalsContact C-N 3.35Å; G866-V868 PolarHBondContact O-N 2.99Å; V868-F870 PolarHBondContact O-N 3.24Å; V868-L871 PolarHBondContact O-N 3.17Å; V868-L872 HydrophobicContact CG1-CD1 3.72Å; V868-L872 HydrophobicContact CG1-CG 4.13Å; V868-L872 VanDerWaalsContact O-CB 3.28Å; V868-L872 WeakPolarHBondContact O-CB 3.33Å; V868-L872 VanDerWaalsContact O-CG 3.23Å; V868-L872 WeakPolarHBondContact O-CG 3.38Å; V868-L872 PolarHBondContact O-N 2.78Å
869	I	90.9	Very high	85.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.3	-50.6	176.8	-69	156.1	0	0	0	110.5	F466 L469 C473 I518 T865 G866 L872 M873	F466-I869 HydrophobicContact CB-CD1 4.48Å; F466-I869 HydrophobicContact CB-CG1 3.88Å; L469-I869 HydrophobicContact CB-CD1 3.52Å; L469-I869 HydrophobicContact CB-CG1 4.12Å; L469-I869 HydrophobicContact CD2-CD1 4.43Å; L469-I869 HydrophobicContact CG-CD1 4.47Å; C473-I869 HydrophobicContact CB-CG2 4.38Å; I518-I869 HydrophobicContact CD1-CD1 4.48Å; T865-I869 WeakPolarHBondContact O-CB 3.28Å; T865-I869 VanDerWaalsContact O-CD1 3.32Å; T865-I869 WeakPolarHBondContact O-CD1 3.45Å; T865-I869 WeakPolarHBondContact O-CG1 3.42Å; T865-I869 PolarHBondContact O-N 3.4Å; G866-I869 PolarHBondContact O-N 3.06Å; I869-L872 PolarHBondContact O-N 3.33Å; I869-M873 WeakPolarHBondContact O-CB 3.38Å; I869-M873 PolarHBondContact O-N 3.15Å
870	F	91.7	Very high	84.8	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.009	19%	0.189	C	C	.	.	H	α-helix	trans	-73.9	-30.2	-177	-71	-67.9	0	0	0	113.2	A501 S502 G505 V506 I518 L519 G866 V868 M873 G874	A501-F870 WeakPolarHBondContact O-CD1 3.4Å; A501-F870 WeakPolarHBondContact O-CE1 3.49Å; S502-F870 WeakPolarHBondContact CB-O 3.46Å; S502-F870 PolarHBondContact OG-O 3.49Å; G505-F870 VanDerWaalsContact CA-CG 3.43Å; G505-F870 WeakPolarHBondContact O-CD2 3.48Å; V506-F870 HydrophobicContact CG2-CB 3.79Å; I518-F870 HydrophobicContact CG2-CE2 4.32Å; I518-F870 HydrophobicContact CG2-CZ 3.73Å; L519-F870 WeakPolarHBondContact O-CZ 3.41Å; G866-F870 WeakPolarHBondContact O-CD2 3.46Å; G866-F870 PolarHBondContact O-N 3.08Å; G866-F870 VanDerWaalsContact O-N 3.08Å; V868-F870 PolarHBondContact O-N 3.24Å; F870-M873 HydrophobicContact CD1-CE 3.43Å; F870-M873 VanDerWaalsContact CD1-CE 3.43Å; F870-M873 HydrophobicContact CE1-CE 3.68Å; F870-M873 PolarHBondContact O-N 3.15Å; F870-G874 PolarHBondContact O-N 2.93Å; F870-G874 VanDerWaalsContact O-N 3.08Å
871	L	90.7	Very high	84.3	Confident	94 Å²	94	34.8 Å²	34.8	49%	0.492	20%	0.197	S	C	.	.	H	α-helix	trans	-68.1	-46.6	171.3	-173.1	149.6	0	0	0	111.1	L867 V868 M873 G874 C875	L867-L871 WeakPolarHBondContact O-CB 3.48Å; L867-L871 PolarHBondContact O-N 3.43Å; V868-L871 PolarHBondContact O-N 3.17Å; L871-M873 VanDerWaalsContact C-N 3.28Å; L871-M873 PolarHBondContact O-N 3.45Å; L871-G874 PolarHBondContact O-N 3.44Å; L871-G874 VanDerWaalsContact O-N 3.12Å; L871-C875 PolarHBondContact O-N 2.63Å; L871-C875 PolarHBondContact O-SG 3.24Å; L871-C875 VanDerWaalsContact O-SG 3.33Å
872	L	87.6	Confident	83.8	Confident	47 Å²	47	37 Å²	37	25%	0.246	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-38.6	173.3	-74.6	172.2	0	0	0	111.7	F466 Y470 V868 I869 G874 C875 S876	F466-L872 HydrophobicContact CD2-CD1 3.83Å; F466-L872 HydrophobicContact CE2-CD1 4.04Å; Y470-L872 HydrophobicContact CD2-CB 3.75Å; Y470-L872 HydrophobicContact CE2-CB 3.99Å; V868-L872 HydrophobicContact CG1-CD1 3.72Å; V868-L872 HydrophobicContact CG1-CG 4.13Å; V868-L872 VanDerWaalsContact O-CB 3.28Å; V868-L872 WeakPolarHBondContact O-CB 3.33Å; V868-L872 VanDerWaalsContact O-CG 3.23Å; V868-L872 WeakPolarHBondContact O-CG 3.38Å; V868-L872 PolarHBondContact O-N 2.78Å; I869-L872 PolarHBondContact O-N 3.33Å; L872-G874 VanDerWaalsContact C-N 3.33Å; L872-G874 PolarHBondContact O-N 2.87Å; L872-C875 CarbonylContact O-C 3.57Å; L872-C875 PolarHBondContact O-N 2.83Å; L872-S876 WeakPolarHBondContact O-CB 3.37Å; L872-S876 PolarHBondContact O-N 3.26Å
873	M	86.6	Confident	83	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-65.6	-34.3	176.1	-169.1	158.6	54.2	0	0	112.4	M474 V477 L498 A501 I869 F870 L871 S876	M474-M873 HydrophobicContact CB-SD 4.48Å; V477-M873 HydrophobicContact CB-SD 4.38Å; V477-M873 HydrophobicContact CG1-SD 4.47Å; V477-M873 HydrophobicContact CG2-CE 4.4Å; V477-M873 HydrophobicContact CG2-SD 4.17Å; L498-M873 HydrophobicContact CD1-CG 3.41Å; L498-M873 VanDerWaalsContact CD1-CG 3.41Å; L498-M873 HydrophobicContact CD1-SD 4.07Å; L498-M873 HydrophobicContact CG-CG 4.39Å; A501-M873 HydrophobicContact CB-CE 3.56Å; A501-M873 HydrophobicContact CB-SD 4.42Å; I869-M873 WeakPolarHBondContact O-CB 3.38Å; I869-M873 PolarHBondContact O-N 3.15Å; F870-M873 HydrophobicContact CD1-CE 3.43Å; F870-M873 VanDerWaalsContact CD1-CE 3.43Å; F870-M873 HydrophobicContact CE1-CE 3.68Å; F870-M873 PolarHBondContact O-N 3.15Å; L871-M873 VanDerWaalsContact C-N 3.28Å; L871-M873 PolarHBondContact O-N 3.45Å; M873-S876 WeakPolarHBondContact O-CB 3.29Å; M873-S876 PolarHBondContact O-OG 3.26Å
874	G	84.6	Confident	82.4	Confident	26 Å²	26	41.1 Å²	41.1	27%	0.268	24%	0.238	S	C	.	.	H	α-helix	trans	-67.2	-45.4	168.8	0	0	0	0	0	112.6	S502 F870 L871 L872 S876	S502-G874 VanDerWaalsContact OG-CA 3.28Å; S502-G874 WeakPolarHBondContact OG-CA 3.47Å; S502-G874 PolarHBondContact OG-N 2.87Å; F870-G874 PolarHBondContact O-N 2.93Å; F870-G874 VanDerWaalsContact O-N 3.08Å; L871-G874 PolarHBondContact O-N 3.44Å; L871-G874 VanDerWaalsContact O-N 3.12Å; L872-G874 VanDerWaalsContact C-N 3.33Å; L872-G874 PolarHBondContact O-N 2.87Å; G874-S876 PolarHBondContact O-N 2.92Å
875	C	83.1	Confident	82.1	Confident	53 Å²	53	44 Å²	44	36%	0.358	25%	0.249	S	C	.	.	H	α-helix	trans	-65.2	-21.2	176.7	-64.4	0	0	0	0	113.6	L871 L872 V877 F878	L871-C875 PolarHBondContact O-N 2.63Å; L871-C875 PolarHBondContact O-SG 3.24Å; L871-C875 VanDerWaalsContact O-SG 3.33Å; L872-C875 CarbonylContact O-C 3.57Å; L872-C875 PolarHBondContact O-N 2.83Å; C875-V877 PolarHBondContact O-N 3.03Å; C875-V877 VanDerWaalsContact O-N 3.11Å; C875-F878 WeakPolarHBondContact O-CB 3.43Å; C875-F878 PolarHBondContact O-N 3.13Å
876	S	79.3	Confident	81.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.8	-176.3	75.3	0	0	0	0	114.3	Y470 M474 L872 M873 G874 F878 M879 T880	Y470-S876 VanDerWaalsContact OH-CB 3.27Å; Y470-S876 WeakPolarHBondContact OH-CB 3.45Å; M474-S876 VanDerWaalsContact CE-OG 3.23Å; M474-S876 WeakPolarHBondContact CE-OG 3.26Å; L872-S876 WeakPolarHBondContact O-CB 3.37Å; L872-S876 PolarHBondContact O-N 3.26Å; M873-S876 WeakPolarHBondContact O-CB 3.29Å; M873-S876 PolarHBondContact O-OG 3.26Å; G874-S876 PolarHBondContact O-N 2.92Å; S876-F878 PolarHBondContact O-N 3.11Å; S876-M879 CarbonylContact O-C 3.57Å; S876-M879 WeakPolarHBondContact O-CA 3.32Å; S876-M879 PolarHBondContact O-N 3.07Å; S876-T880 PolarHBondContact O-N 2.7Å; S876-T880 VanDerWaalsContact O-N 3.14Å
877	V	74.4	Confident	81.7	Confident	31 Å²	31	45.4 Å²	45.4	19%	0.188	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-36.3	171.6	-179	0	0	0	0	111.6	L498 F745 C875 T880	L498-V877 HydrophobicContact CD2-CG2 3.58Å; F745-V877 HydrophobicContact CB-CG1 4.16Å; F745-V877 HydrophobicContact CD2-CG1 4.24Å; F745-V877 HydrophobicContact CD2-CG2 4.39Å; C875-V877 PolarHBondContact O-N 3.03Å; C875-V877 VanDerWaalsContact O-N 3.11Å; V877-T880 PolarHBondContact O-OG1 3.47Å
878	F	74.1	Confident	81.3	Confident	187 Å²	187	44.8 Å²	44.8	82%	0.82	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-23.9	174.5	-57.8	-72.5	0	0	0	112.5	C875 S876 T880	C875-F878 WeakPolarHBondContact O-CB 3.43Å; C875-F878 PolarHBondContact O-N 3.13Å; S876-F878 PolarHBondContact O-N 3.11Å; F878-T880 VanDerWaalsContact C-N 3.34Å
879	M	70.4	Confident	81.1	Confident	96 Å²	96	43 Å²	43	47%	0.473	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	6.8	178.1	-63.5	-179.7	62.6	0	0	113.9	S876 G881 A882 L883	S876-M879 CarbonylContact O-C 3.57Å; S876-M879 WeakPolarHBondContact O-CA 3.32Å; S876-M879 PolarHBondContact O-N 3.07Å; M879-G881 PolarHBondContact O-N 3.49Å; M879-A882 PolarHBondContact O-N 3.42Å; M879-L883 HydrophobicContact CB-CD1 3.77Å; M879-L883 VanDerWaalsContact O-CD1 3.32Å; M879-L883 WeakPolarHBondContact O-CD1 3.28Å; M879-L883 PolarHBondContact O-N 3.28Å
880	T	71.1	Confident	81.1	Confident	10 Å²	10	43 Å²	43	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-43.4	-39.7	-175.6	-67.2	0	0	0	0	114.2	V741 S876 V877 F878 A882 L883 Q884	V741-T880 HydrophobicContact CB-CG2 3.87Å; V741-T880 HydrophobicContact CG1-CG2 3.8Å; V741-T880 WeakPolarHBondContact CG1-OG1 3.18Å; S876-T880 PolarHBondContact O-N 2.7Å; S876-T880 VanDerWaalsContact O-N 3.14Å; V877-T880 PolarHBondContact O-OG1 3.47Å; F878-T880 VanDerWaalsContact C-N 3.34Å; T880-A882 VanDerWaalsContact C-N 3.34Å; T880-A882 PolarHBondContact O-N 2.96Å; T880-L883 PolarHBondContact O-N 2.88Å; T880-Q884 HydrophobicContact CG2-CG 4.29Å; T880-Q884 WeakPolarHBondContact O-CG 3.41Å; T880-Q884 PolarHBondContact O-N 3.47Å; T880-Q884 VanDerWaalsContact O-N 3.08Å
881	G	72.1	Confident	80.7	Confident	47 Å²	47	43.4 Å²	43.4	49%	0.485	24%	0.243	S	C	.	.	H	α-helix	trans	-60.5	-35.2	177.7	0	0	0	0	0	114.8	M879 F885	M879-G881 PolarHBondContact O-N 3.49Å; G881-F885 WeakPolarHBondContact O-CD2 3.19Å; G881-F885 WeakPolarHBondContact O-CE2 3.37Å
882	A	73	Confident	80.5	Confident	60 Å²	60	39.9 Å²	39.9	50%	0.496	22%	0.223	S	C	.	.	H	α-helix	trans	-77.3	-33.9	176	0	0	0	0	0	112.1	M879 T880 F885	M879-A882 PolarHBondContact O-N 3.42Å; T880-A882 VanDerWaalsContact C-N 3.34Å; T880-A882 PolarHBondContact O-N 2.96Å; A882-F885 PolarHBondContact O-N 2.98Å
883	L	72.7	Confident	80.5	Confident	7 Å²	7	37.6 Å²	37.6	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-77.8	-27.4	-174.8	-82.9	72	0	0	0	113.4	M474 L739 V741 M879 T880 F885 I886	M474-L883 HydrophobicContact CE-CD2 3.1Å; M474-L883 HydrophobicContact SD-CD2 3.34Å; M474-L883 WeakPolarHBondContact SD-CD2 3.38Å; L739-L883 HydrophobicContact CD2-CB 4.45Å; V741-L883 HydrophobicContact CG2-CB 4.22Å; M879-L883 HydrophobicContact CB-CD1 3.77Å; M879-L883 VanDerWaalsContact O-CD1 3.32Å; M879-L883 WeakPolarHBondContact O-CD1 3.28Å; M879-L883 PolarHBondContact O-N 3.28Å; T880-L883 PolarHBondContact O-N 2.88Å; L883-F885 PolarHBondContact O-N 3.19Å; L883-F885 VanDerWaalsContact O-N 3.13Å; L883-I886 PolarHBondContact O-N 3.04Å
884	Q	77.3	Confident	80.4	Confident	85 Å²	85	37.7 Å²	37.7	40%	0.397	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-12	173.2	-75.8	178	1.2	0	0	113.5	K738 V741 T880	K738-Q884 WeakPolarHBondContact CB-O 3.24Å; K738-Q884 WeakPolarHBondContact CD-O 3.31Å; V741-Q884 PolarHBondContact O-NE2 3.33Å; V741-Q884 VanDerWaalsContact O-NE2 3.12Å; T880-Q884 HydrophobicContact CG2-CG 4.29Å; T880-Q884 WeakPolarHBondContact O-CG 3.41Å; T880-Q884 PolarHBondContact O-N 3.47Å; T880-Q884 VanDerWaalsContact O-N 3.08Å
885	F	82.4	Confident	80.4	Confident	106 Å²	106	37 Å²	37	47%	0.465	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-11.6	172.6	-65.7	-70.5	0	0	0	113.9	V726 G881 A882 L883 P887	V726-F885 HydrophobicContact CG1-CB 4.45Å; G881-F885 WeakPolarHBondContact O-CD2 3.19Å; G881-F885 WeakPolarHBondContact O-CE2 3.37Å; A882-F885 PolarHBondContact O-N 2.98Å; L883-F885 PolarHBondContact O-N 3.19Å; L883-F885 VanDerWaalsContact O-N 3.13Å; F885-P887 WeakPolarHBondContact O-CD 3.21Å
886	I	84.1	Confident	80.6	Confident	32 Å²	32	35.2 Å²	35.2	16%	0.164	19%	0.189	C	C	.	.			trans	-79.3	119.4	-177.3	-54.9	177.5	0	0	0	110	V726 L739 L883 L891	V726-I886 HydrophobicContact CG2-CB 4.47Å; V726-I886 HydrophobicContact CG2-CG1 4.26Å; V726-I886 HydrophobicContact CG2-CG2 4.32Å; L739-I886 PolarHBondContact N-O 3.23Å; L883-I886 PolarHBondContact O-N 3.04Å; I886-L891 HydrophobicContact CG2-CD1 3.93Å; I886-L891 HydrophobicContact CG2-CD2 3.98Å; I886-L891 HydrophobicContact CG2-CG 3.88Å
887	P	86.3	Confident	81	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-80.4	136.2	178	34.3	-34.3	0	0	0	110.8	L685 D729 F885 P889 V890	L685-P887 HydrophobicContact CD1-CB 4.44Å; L685-P887 HydrophobicContact CD1-CG 4.27Å; D729-P887 HydrophobicContact CB-CG 4.13Å; F885-P887 WeakPolarHBondContact O-CD 3.21Å; P887-P889 VanDerWaalsContact C-CD 3.45Å; P887-V890 HydrophobicContact CG-CB 4.14Å; P887-V890 HydrophobicContact CG-CG2 3.65Å; P887-V890 PolarHBondContact O-N 3.23Å
888	M	83.1	Confident	81.5	Confident	19 Å²	19	34.9 Å²	34.9	9%	0.094	18%	0.184	C	C	.	.	H	α-helix	trans	-57.9	-38.2	-178.7	-62.1	-72.8	-97.4	0	0	113.8	T479 Q737 L739 V890 L891 Y892	T479-M888 HydrophobicContact CG2-CE 3.79Å; Q737-M888 HydrophobicContact CG-CG 4.19Å; Q737-M888 WeakPolarHBondContact O-CB 3.42Å; Q737-M888 VanDerWaalsContact O-CG 3.31Å; Q737-M888 WeakPolarHBondContact O-CG 3.25Å; Q737-M888 PolarHBondContact O-N 3.07Å; L739-M888 HydrophobicContact CB-SD 4.32Å; L739-M888 HydrophobicContact CD1-CE 4.41Å; L739-M888 HydrophobicContact CD1-SD 3.56Å; L739-M888 VanDerWaalsContact CD1-SD 3.56Å; M888-V890 VanDerWaalsContact C-N 3.27Å; M888-V890 PolarHBondContact O-N 3.4Å; M888-L891 WeakPolarHBondContact O-CB 3.31Å; M888-L891 PolarHBondContact O-N 3.17Å; M888-L891 VanDerWaalsContact O-N 3.08Å; M888-L891 HydrophobicContact SD-CD1 4.29Å; M888-Y892 HydrophobicContact CB-CE2 4.23Å; M888-Y892 PolarHBondContact O-N 3.14Å
889	P	88.9	Confident	82	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58	-33.7	176.9	-26.7	35.3	0	0	0	114.7	L600 S682 L685 P887 Y892 G893	L600-P889 HydrophobicContact CD2-CG 3.86Å; S682-P889 WeakPolarHBondContact O-CB 3.12Å; L685-P889 HydrophobicContact CB-CB 4.25Å; P887-P889 VanDerWaalsContact C-CD 3.45Å; P889-Y892 PolarHBondContact O-N 2.71Å; P889-G893 PolarHBondContact O-N 3.32Å
890	V	88.9	Confident	82.8	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.9	-44.6	175.1	170.7	0	0	0	0	110.1	L685 T689 I722 M725 P887 M888 Y892 G893 V894	L685-V890 HydrophobicContact CB-CG2 4.06Å; L685-V890 HydrophobicContact CD1-CG2 4.46Å; L685-V890 HydrophobicContact CD2-CG2 4.08Å; L685-V890 HydrophobicContact CG-CG2 4.45Å; T689-V890 HydrophobicContact CG2-CG1 3.99Å; T689-V890 WeakPolarHBondContact CG2-O 3.42Å; I722-V890 HydrophobicContact CG1-CG1 4.32Å; I722-V890 HydrophobicContact CG2-CG1 4.4Å; M725-V890 HydrophobicContact CB-CG1 4.03Å; M725-V890 HydrophobicContact CB-CG2 3.59Å; P887-V890 HydrophobicContact CG-CB 4.14Å; P887-V890 HydrophobicContact CG-CG2 3.65Å; P887-V890 PolarHBondContact O-N 3.23Å; M888-V890 VanDerWaalsContact C-N 3.27Å; M888-V890 PolarHBondContact O-N 3.4Å; V890-Y892 VanDerWaalsContact C-N 3.31Å; V890-Y892 PolarHBondContact O-N 2.89Å; V890-G893 PolarHBondContact O-N 3.36Å; V890-G893 VanDerWaalsContact O-N 3.12Å; V890-V894 PolarHBondContact O-N 3.43Å
891	L	83.7	Confident	83.4	Confident	10 Å²	10	24.5 Å²	24.5	5%	0.052	15%	0.147	C	C	.	.	H	α-helix	trans	-62.9	-37.8	177.2	-61.8	172.3	0	0	0	112	L739 I886 M888 V894 F895	L739-L891 HydrophobicContact CD1-CD1 4.24Å; I886-L891 HydrophobicContact CG2-CD1 3.93Å; I886-L891 HydrophobicContact CG2-CD2 3.98Å; I886-L891 HydrophobicContact CG2-CG 3.88Å; M888-L891 WeakPolarHBondContact O-CB 3.31Å; M888-L891 PolarHBondContact O-N 3.17Å; M888-L891 VanDerWaalsContact O-N 3.08Å; M888-L891 HydrophobicContact SD-CD1 4.29Å; L891-V894 PolarHBondContact O-N 3.2Å; L891-F895 WeakPolarHBondContact O-CD1 3.47Å; L891-F895 WeakPolarHBondContact O-CG 3.44Å; L891-F895 PolarHBondContact O-N 3.16Å
892	Y	86.4	Confident	83.9	Confident	19 Å²	19	22.7 Å²	22.7	8%	0.075	13%	0.126	C	C	.	.	H	α-helix	trans	-66.9	-36.2	173.5	-57	-20.7	0	0	0	112.2	K596 F686 M888 P889 V890 V894 F895 L896	K596-Y892 HydrophobicContact CB-CD2 4.05Å; K596-Y892 HydrophobicContact CB-CE1 4.33Å; K596-Y892 HydrophobicContact CB-CE2 3.75Å; K596-Y892 HydrophobicContact CB-CG 4.46Å; K596-Y892 HydrophobicContact CD-CD1 4.32Å; K596-Y892 HydrophobicContact CD-CE1 3.83Å; F686-Y892 VanDerWaalsContact CE2-C 3.46Å; F686-Y892 WeakPolarHBondContact CE2-O 3.31Å; M888-Y892 HydrophobicContact CB-CE2 4.23Å; M888-Y892 PolarHBondContact O-N 3.14Å; P889-Y892 PolarHBondContact O-N 2.71Å; V890-Y892 VanDerWaalsContact C-N 3.31Å; V890-Y892 PolarHBondContact O-N 2.89Å; Y892-V894 VanDerWaalsContact C-N 3.34Å; Y892-V894 PolarHBondContact O-N 3.11Å; Y892-F895 HydrophobicContact CD1-CD2 4.33Å; Y892-F895 HydrophobicContact CD1-CE2 4.47Å; Y892-F895 WeakPolarHBondContact O-CB 3.26Å; Y892-F895 PolarHBondContact O-N 3.31Å; Y892-L896 PolarHBondContact O-N 3.03Å
893	G	88.6	Confident	84.3	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.3	-37.6	172.2	0	0	0	0	0	112.9	F686 P889 V890 L896 Y897	F686-G893 WeakPolarHBondContact O-CA 3.25Å; P889-G893 PolarHBondContact O-N 3.32Å; V890-G893 PolarHBondContact O-N 3.36Å; V890-G893 VanDerWaalsContact O-N 3.12Å; G893-L896 PolarHBondContact O-N 2.91Å; G893-Y897 PolarHBondContact O-N 2.99Å
894	V	85.1	Confident	84.5	Confident	4 Å²	4	27.2 Å²	27.2	2%	0.024	14%	0.135	C	C	.	.	H	α-helix	trans	-67.2	-37.7	171.5	178.2	0	0	0	0	111.6	T689 V718 I722 V890 L891 Y892 Y897 M898	T689-V894 HydrophobicContact CG2-CG2 3.59Å; V718-V894 HydrophobicContact CG1-CG1 3.67Å; V718-V894 HydrophobicContact CG1-CG2 4.06Å; I722-V894 HydrophobicContact CD1-CG2 4.04Å; I722-V894 HydrophobicContact CG1-CG2 3.8Å; V890-V894 PolarHBondContact O-N 3.43Å; L891-V894 PolarHBondContact O-N 3.2Å; Y892-V894 VanDerWaalsContact C-N 3.34Å; Y892-V894 PolarHBondContact O-N 3.11Å; V894-Y897 PolarHBondContact O-N 2.98Å; V894-M898 HydrophobicContact CG1-CE 4.22Å; V894-M898 HydrophobicContact CG1-CG 4.38Å; V894-M898 HydrophobicContact CG1-SD 4.44Å; V894-M898 WeakPolarHBondContact O-CG 3.44Å; V894-M898 PolarHBondContact O-N 3.37Å
895	F	83.5	Confident	84.2	Confident	10 Å²	10	25.4 Å²	25.4	4%	0.044	14%	0.139	C	C	.	.	H	α-helix	trans	-61.7	-45.9	174.2	-70.9	-2.7	0	0	0	112.1	S475 P476 A593 L891 Y892 Y897 M898 G899	S475-F895 WeakPolarHBondContact OG-CZ 3.36Å; P476-F895 HydrophobicContact CB-CZ 4.46Å; P476-F895 HydrophobicContact CG-CE1 3.8Å; P476-F895 HydrophobicContact CG-CZ 3.61Å; A593-F895 HydrophobicContact CB-CB 4.11Å; L891-F895 WeakPolarHBondContact O-CD1 3.47Å; L891-F895 WeakPolarHBondContact O-CG 3.44Å; L891-F895 PolarHBondContact O-N 3.16Å; Y892-F895 HydrophobicContact CD1-CD2 4.33Å; Y892-F895 HydrophobicContact CD1-CE2 4.47Å; Y892-F895 WeakPolarHBondContact O-CB 3.26Å; Y892-F895 PolarHBondContact O-N 3.31Å; F895-Y897 VanDerWaalsContact C-N 3.29Å; F895-Y897 PolarHBondContact O-N 3.15Å; F895-M898 HydrophobicContact CD1-CE 3.66Å; F895-M898 HydrophobicContact CE1-CE 4.18Å; F895-M898 PolarHBondContact O-N 2.94Å; F895-G899 PolarHBondContact O-N 3.4Å
896	L	87.9	Confident	84.2	Confident	17 Å²	17	21.1 Å²	21.1	9%	0.089	12%	0.121	C	C	.	.	H	α-helix	trans	-58.2	-43.3	174.4	-177.5	67	0	0	0	111	I590 A593 F686 F690 Y892 G893 A900	I590-L896 HydrophobicContact CB-CD1 4.41Å; I590-L896 HydrophobicContact CG1-CD1 4.31Å; I590-L896 HydrophobicContact CG2-CD1 3.89Å; A593-L896 HydrophobicContact CB-CB 4.31Å; F686-L896 HydrophobicContact CE1-CD2 3.71Å; F686-L896 HydrophobicContact CE2-CB 4.47Å; F686-L896 HydrophobicContact CZ-CB 4.09Å; F686-L896 HydrophobicContact CZ-CD2 3.68Å; F686-L896 HydrophobicContact CZ-CG 4.39Å; F690-L896 HydrophobicContact CB-CD2 4.28Å; F690-L896 HydrophobicContact CD1-CD2 4.49Å; F690-L896 HydrophobicContact CD2-CB 4.21Å; F690-L896 HydrophobicContact CD2-CD2 3.79Å; F690-L896 HydrophobicContact CD2-CG 3.75Å; F690-L896 HydrophobicContact CE2-CD2 4.24Å; F690-L896 HydrophobicContact CE2-CG 4.01Å; F690-L896 HydrophobicContact CG-CD2 3.93Å; F690-L896 HydrophobicContact CG-CG 4.39Å; Y892-L896 PolarHBondContact O-N 3.03Å; G893-L896 PolarHBondContact O-N 2.91Å; L896-A900 VanDerWaalsContact O-CB 3.26Å; L896-A900 WeakPolarHBondContact O-CB 3.41Å; L896-A900 PolarHBondContact O-N 3.25Å
897	Y	87.8	Confident	84.2	Confident	22 Å²	22	21.7 Å²	21.7	9%	0.086	12%	0.123	C	C	.	.	H	α-helix	trans	-62.4	-46.3	176.4	170.3	-96.8	0	0	0	112.5	A694 K697 V718 G893 V894 F895 A900 S901	A694-Y897 HydrophobicContact CB-CD2 4.38Å; A694-Y897 HydrophobicContact CB-CE2 4.39Å; K697-Y897 WeakPolarHBondContact CB-OH 3.31Å; K697-Y897 WeakPolarHBondContact CG-OH 3.44Å; V718-Y897 HydrophobicContact CG2-CD1 3.99Å; V718-Y897 HydrophobicContact CG2-CE1 3.5Å; G893-Y897 PolarHBondContact O-N 2.99Å; V894-Y897 PolarHBondContact O-N 2.98Å; F895-Y897 VanDerWaalsContact C-N 3.29Å; F895-Y897 PolarHBondContact O-N 3.15Å; Y897-A900 PolarHBondContact O-N 3.18Å; Y897-S901 VanDerWaalsContact O-CB 3.22Å; Y897-S901 WeakPolarHBondContact O-CB 3.3Å; Y897-S901 PolarHBondContact O-N 3.35Å
898	M	83.4	Confident	84.2	Confident	2 Å²	2	22 Å²	22	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-64.1	-42.1	179.2	-71.3	-170.4	-61.3	0	0	112.2	F468 A472 V832 L833 V894 F895 S902	F468-M898 HydrophobicContact CE2-SD 4.31Å; F468-M898 HydrophobicContact CZ-SD 4.23Å; A472-M898 HydrophobicContact CB-CE 4.14Å; A472-M898 HydrophobicContact CB-SD 3.73Å; V832-M898 HydrophobicContact CG1-CB 4.26Å; L833-M898 HydrophobicContact CD2-SD 4.49Å; V894-M898 HydrophobicContact CG1-CE 4.22Å; V894-M898 HydrophobicContact CG1-CG 4.38Å; V894-M898 HydrophobicContact CG1-SD 4.44Å; V894-M898 WeakPolarHBondContact O-CG 3.44Å; V894-M898 PolarHBondContact O-N 3.37Å; F895-M898 HydrophobicContact CD1-CE 3.66Å; F895-M898 HydrophobicContact CE1-CE 4.18Å; F895-M898 PolarHBondContact O-N 2.94Å; M898-S902 WeakPolarHBondContact O-CB 3.19Å; M898-S902 PolarHBondContact O-N 3.5Å; M898-S902 PolarHBondContact O-OG 2.96Å
899	G	84.9	Confident	84.3	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.9	-50.2	174.3	0	0	0	0	0	112.2	F895 S901 S902 L903	F895-G899 PolarHBondContact O-N 3.4Å; G899-S901 PolarHBondContact O-N 3.28Å; G899-S902 PolarHBondContact O-N 2.98Å; G899-L903 PolarHBondContact O-N 2.76Å
900	A	86.9	Confident	84.1	Confident	28 Å²	28	25.8 Å²	25.8	23%	0.231	14%	0.142	C	C	.	.	H	α-helix	trans	-67	-34.4	-179.8	0	0	0	0	0	113.6	F690 L896 Y897	F690-A900 HydrophobicContact CE2-CB 3.97Å; F690-A900 HydrophobicContact CZ-CB 4.49Å; L896-A900 VanDerWaalsContact O-CB 3.26Å; L896-A900 WeakPolarHBondContact O-CB 3.41Å; L896-A900 PolarHBondContact O-N 3.25Å; Y897-A900 PolarHBondContact O-N 3.18Å
901	S	84.3	Confident	84	Confident	47 Å²	47	26 Å²	26	33%	0.329	14%	0.143	S	C	.	.	H	α-helix	trans	-71.7	-33.9	176	-169.9	0	0	0	0	111.9	Y897 G899 L903 K904	Y897-S901 VanDerWaalsContact O-CB 3.22Å; Y897-S901 WeakPolarHBondContact O-CB 3.3Å; Y897-S901 PolarHBondContact O-N 3.35Å; G899-S901 PolarHBondContact O-N 3.28Å; S901-L903 VanDerWaalsContact C-N 3.33Å; S901-K904 PolarHBondContact O-N 3.06Å
902	S	81.8	Confident	84.2	Confident	8 Å²	8	28 Å²	28	6%	0.056	15%	0.153	C	C	.	.	H	α-helix	trans	-69.7	-29.9	179	-60	0	0	0	0	112.4	C586 M898 G899 K904	C586-S902 WeakPolarHBondContact SG-CB 3.2Å; M898-S902 WeakPolarHBondContact O-CB 3.19Å; M898-S902 PolarHBondContact O-N 3.5Å; M898-S902 PolarHBondContact O-OG 2.96Å; G899-S902 PolarHBondContact O-N 2.98Å; S902-K904 PolarHBondContact O-N 3.14Å
903	L	82.9	Confident	84.1	Confident	15 Å²	15	31.5 Å²	31.5	8%	0.079	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-63.7	-23.6	171.8	-70.2	174.4	0	0	0	113.8	C586 I590 G899 S901 G905 I906 F909	C586-L903 HydrophobicContact CB-CD2 3.66Å; C586-L903 HydrophobicContact CB-CG 3.91Å; I590-L903 HydrophobicContact CD1-CD1 3.58Å; I590-L903 HydrophobicContact CD1-CG 4.49Å; G899-L903 PolarHBondContact O-N 2.76Å; S901-L903 VanDerWaalsContact C-N 3.33Å; L903-G905 PolarHBondContact O-N 3.5Å; L903-G905 VanDerWaalsContact O-N 3.14Å; L903-I906 HydrophobicContact CD2-CD1 4.42Å; L903-I906 PolarHBondContact O-N 3.02Å; L903-F909 HydrophobicContact CB-CD1 4.04Å; L903-F909 HydrophobicContact CB-CE1 4.23Å; L903-F909 HydrophobicContact CB-CG 4.42Å; L903-F909 WeakPolarHBondContact O-CD1 3.43Å
904	K	76.4	Confident	83.9	Confident	148 Å²	148	31.9 Å²	31.9	64%	0.643	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-77.4	10.1	-174.6	-71.1	-173.4	176	-178.1	0	115.2	S901 S902	S901-K904 PolarHBondContact O-N 3.06Å; S902-K904 PolarHBondContact O-N 3.14Å
905	G	71.8	Confident	83.9	Confident	47 Å²	47	36.2 Å²	36.2	49%	0.485	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-130.8	4.4	174.1	0	0	0	0	0	115.3	L903	L903-G905 PolarHBondContact O-N 3.5Å; L903-G905 VanDerWaalsContact O-N 3.14Å
906	I	82.6	Confident	83.8	Confident	15 Å²	15	39.2 Å²	39.2	8%	0.077	22%	0.224	C	C	.	.			trans	-95.8	120.9	-175.8	-59.2	175.7	0	0	0	108.9	E579 A582 A583 L903 F908 F909 D910	E579-I906 HydrophobicContact CB-CG2 3.8Å; E579-I906 HydrophobicContact CG-CG2 3.95Å; A582-I906 HydrophobicContact CB-CD1 3.92Å; A583-I906 HydrophobicContact CB-CD1 4.42Å; L903-I906 HydrophobicContact CD2-CD1 4.42Å; L903-I906 PolarHBondContact O-N 3.02Å; I906-F908 VanDerWaalsContact C-N 3.31Å; I906-F908 HydrophobicContact CG2-CB 3.99Å; I906-F908 PolarHBondContact O-N 3.34Å; I906-F909 HydrophobicContact CB-CB 4.48Å; I906-F909 PolarHBondContact O-N 3.41Å; I906-D910 PolarHBondContact O-N 3.4Å
907	Q	82.2	Confident	83.6	Confident	45 Å²	45	42 Å²	42	21%	0.21	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-35.7	-177.7	-75.3	-176.7	0.1	0	0	112.4	R575 E579 F909 D910 R911	R575-Q907 VanDerWaalsContact CZ-OE1 3.29Å; R575-Q907 VanDerWaalsContact NH2-CG 3.27Å; E579-Q907 WeakPolarHBondContact OE1-CB 3.19Å; E579-Q907 PolarHBondContact OE1-N 2.98Å; E579-Q907 WeakPolarHBondContact OE2-CB 3.23Å; E579-Q907 PolarHBondContact OE2-N 2.99Å; Q907-F909 PolarHBondContact O-N 3.42Å; Q907-D910 PolarHBondContact O-N 3.19Å; Q907-D910 VanDerWaalsContact O-N 3.08Å; Q907-R911 VanDerWaalsContact O-CG 3.23Å; Q907-R911 WeakPolarHBondContact O-CG 3.38Å; Q907-R911 PolarHBondContact O-N 3.03Å
908	F	86.7	Confident	83.3	Confident	5 Å²	5	44.8 Å²	44.8	2%	0.022	26%	0.258	C	S	.	.	H	α-helix	trans	-50.1	-41.5	171.3	168.5	-109	0	0	0	112.6	E579 A583 I906 R911 L912 Q943 L944 L947	E579-F908 HydrophobicContact CB-CB 4.27Å; E579-F908 PolarHBondContact OE2-N 3.4Å; A583-F908 HydrophobicContact CB-CD1 3.81Å; A583-F908 HydrophobicContact CB-CE1 4.14Å; I906-F908 VanDerWaalsContact C-N 3.31Å; I906-F908 HydrophobicContact CG2-CB 3.99Å; I906-F908 PolarHBondContact O-N 3.34Å; F908-R911 PolarHBondContact O-N 3.32Å; F908-L912 WeakPolarHBondContact O-CB 3.49Å; F908-L912 PolarHBondContact O-N 3.23Å; F908-Q943 HydrophobicContact CD2-CB 4.02Å; F908-Q943 HydrophobicContact CD2-CG 3.77Å; F908-Q943 HydrophobicContact CE2-CB 3.85Å; F908-Q943 HydrophobicContact CE2-CG 3.92Å; F908-Q943 HydrophobicContact CG-CG 4.43Å; F908-L944 HydrophobicContact CE2-CB 4.37Å; F908-L944 HydrophobicContact CZ-CB 4.25Å; F908-L944 HydrophobicContact CZ-CD1 4.09Å; F908-L947 HydrophobicContact CE1-CD2 3.69Å; F908-L947 HydrophobicContact CZ-CD2 3.96Å
909	F	86.6	Confident	82.8	Confident	62 Å²	62	48.2 Å²	48.2	27%	0.272	29%	0.286	S	S	.	.	H	α-helix	trans	-72.8	-35.1	178.6	-171.2	-118.4	0	0	0	112.5	L903 I906 Q907 L912 K913	L903-F909 HydrophobicContact CB-CD1 4.04Å; L903-F909 HydrophobicContact CB-CE1 4.23Å; L903-F909 HydrophobicContact CB-CG 4.42Å; L903-F909 WeakPolarHBondContact O-CD1 3.43Å; I906-F909 HydrophobicContact CB-CB 4.48Å; I906-F909 PolarHBondContact O-N 3.41Å; Q907-F909 PolarHBondContact O-N 3.42Å; F909-L912 HydrophobicContact CD2-CD2 4.25Å; F909-L912 WeakPolarHBondContact O-CB 3.33Å; F909-L912 PolarHBondContact O-N 2.91Å; F909-K913 WeakPolarHBondContact O-CG 3.22Å; F909-K913 PolarHBondContact O-N 3.39Å
910	D	84.1	Confident	82.3	Confident	38 Å²	38	57.6 Å²	57.6	20%	0.203	33%	0.327	C	S	.	.	H	α-helix	trans	-68.3	-40.5	172.5	-71.2	-29.7	0	0	0	112.1	I906 Q907 L912 K913 L914 F925	I906-D910 PolarHBondContact O-N 3.4Å; Q907-D910 PolarHBondContact O-N 3.19Å; Q907-D910 VanDerWaalsContact O-N 3.08Å; D910-L912 VanDerWaalsContact C-N 3.28Å; D910-L912 PolarHBondContact O-N 2.93Å; D910-K913 WeakPolarHBondContact O-CB 3.45Å; D910-K913 PolarHBondContact O-N 3.35Å; D910-K913 IonicContact OD1-NZ 3.81Å; D910-K913 PolarHBondContact OD1-NZ 3.38Å; D910-L914 PolarHBondContact O-N 3.13Å; D910-F925 HydrophobicContact CB-CE2 4.43Å; D910-F925 HydrophobicContact CB-CZ 4.11Å
911	R	86.6	Confident	81.6	Confident	3 Å²	3	62.4 Å²	62.4	1%	0.011	35%	0.345	C	S	.	.	H	α-helix	trans	-64.7	-32.8	172.1	-57.6	167.7	-150.1	-166.4	1.9	111.5	Q907 F908 L914 Y927 T940 L988	Q907-R911 VanDerWaalsContact O-CG 3.23Å; Q907-R911 WeakPolarHBondContact O-CG 3.38Å; Q907-R911 PolarHBondContact O-N 3.03Å; F908-R911 PolarHBondContact O-N 3.32Å; R911-L914 WeakPolarHBondContact O-CB 3.47Å; R911-L914 PolarHBondContact O-N 3.47Å; R911-Y927 HydrophobicContact CG-CE2 4.33Å; R911-T940 HydrophobicContact CB-CG2 3.46Å; R911-T940 VanDerWaalsContact CB-CG2 3.46Å; R911-T940 HydrophobicContact CG-CG2 4.27Å; R911-L988 PolarHBondContact NH1-O 3.35Å; R911-L988 VanDerWaalsContact NH1-O 3.13Å; R911-L988 PolarHBondContact NH2-O 3.32Å
912	L	86.9	Confident	81	Confident	53 Å²	53	62.1 Å²	62.1	28%	0.277	34%	0.338	S	S	.	.	H	α-helix	trans	-66.2	-40.1	173.5	-172.1	65.3	0	0	0	111.5	F908 F909 D910 L914 F915 L944	F908-L912 WeakPolarHBondContact O-CB 3.49Å; F908-L912 PolarHBondContact O-N 3.23Å; F909-L912 HydrophobicContact CD2-CD2 4.25Å; F909-L912 WeakPolarHBondContact O-CB 3.33Å; F909-L912 PolarHBondContact O-N 2.91Å; D910-L912 VanDerWaalsContact C-N 3.28Å; D910-L912 PolarHBondContact O-N 2.93Å; L912-L914 PolarHBondContact O-N 3.01Å; L912-F915 HydrophobicContact CD1-CD2 4.26Å; L912-F915 PolarHBondContact O-N 3.47Å; L912-L944 HydrophobicContact CD1-CD2 4.25Å
913	K	85.4	Confident	80.4	Confident	92 Å²	92	64.3 Å²	64.3	40%	0.4	35%	0.352	S	S	.	.	H	α-helix	trans	-61	-32.1	172.8	-66.4	167.2	-160.7	157.6	0	112.5	F909 D910 F915 G916 M917	F909-K913 WeakPolarHBondContact O-CG 3.22Å; F909-K913 PolarHBondContact O-N 3.39Å; D910-K913 WeakPolarHBondContact O-CB 3.45Å; D910-K913 PolarHBondContact O-N 3.35Å; D910-K913 IonicContact OD1-NZ 3.81Å; D910-K913 PolarHBondContact OD1-NZ 3.38Å; K913-F915 PolarHBondContact O-N 3.08Å; K913-G916 PolarHBondContact O-N 3.21Å; K913-M917 PolarHBondContact O-N 3.19Å
914	L	84.1	Confident	79.2	Confident	9 Å²	9	71.5 Å²	71.5	5%	0.047	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-60.7	-22.9	178.4	-65.1	178.5	0	0	0	113.4	D910 R911 L912 G916 M917 Q922 F925 Y927 L928	D910-L914 PolarHBondContact O-N 3.13Å; R911-L914 WeakPolarHBondContact O-CB 3.47Å; R911-L914 PolarHBondContact O-N 3.47Å; L912-L914 PolarHBondContact O-N 3.01Å; L914-G916 VanDerWaalsContact C-N 3.32Å; L914-M917 HydrophobicContact CD2-SD 4.37Å; L914-M917 PolarHBondContact O-N 2.88Å; L914-Q922 HydrophobicContact CD2-CG 3.93Å; L914-F925 HydrophobicContact CD1-CD2 4.26Å; L914-F925 HydrophobicContact CD1-CE2 4.47Å; L914-F925 HydrophobicContact CD2-CD2 4.46Å; L914-F925 HydrophobicContact CD2-CE2 4.23Å; L914-Y927 HydrophobicContact CD1-CE2 4.3Å; L914-L928 HydrophobicContact CD1-CD1 4.32Å; L914-L928 HydrophobicContact CD1-CD2 4.06Å
915	F	84.7	Confident	78.8	Confident	94 Å²	94	67.5 Å²	67.5	41%	0.412	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-66.1	-33.4	170.8	-77	-83.4	0	0	0	113.4	L912 K913 H937 T940 V941	L912-F915 HydrophobicContact CD1-CD2 4.26Å; L912-F915 PolarHBondContact O-N 3.47Å; K913-F915 PolarHBondContact O-N 3.08Å; F915-H937 AromaticContact CD1-CE1 3.89Å; F915-H937 AromaticContact CD1-ND1 3.37Å; F915-H937 WeakPolarHBondContact CD1-ND1 3.45Å; F915-H937 AromaticContact CD2-ND1 3.91Å; F915-H937 HydrophobicContact CE1-CB 3.69Å; F915-H937 AromaticContact CE1-CG 3.62Å; F915-H937 AromaticContact CE1-ND1 3.13Å; F915-H937 WeakPolarHBondContact CE1-ND1 3.01Å; F915-H937 AromaticContact CE2-ND1 3.71Å; F915-H937 AromaticContact CG-ND1 3.76Å; F915-H937 HydrophobicContact CZ-CB 3.72Å; F915-H937 AromaticContact CZ-CG 3.87Å; F915-H937 AromaticContact CZ-ND1 3.31Å; F915-H937 VanDerWaalsContact CZ-ND1 3.31Å; F915-H937 WeakPolarHBondContact CZ-ND1 3.39Å; F915-T940 WeakPolarHBondContact CE2-OG1 3.43Å; F915-T940 VanDerWaalsContact CZ-OG1 3.24Å; F915-T940 WeakPolarHBondContact CZ-OG1 3.4Å; F915-V941 HydrophobicContact CE1-CG2 4.34Å; F915-V941 HydrophobicContact CZ-CG2 3.87Å
916	G	82.7	Confident	78.2	Confident	74 Å²	74	69.6 Å²	69.6	76%	0.763	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-90	0.5	178.9	0	0	0	0	0	113.7	K913 L914	K913-G916 PolarHBondContact O-N 3.21Å; L914-G916 VanDerWaalsContact C-N 3.32Å
917	M	82.3	Confident	77.5	Confident	76 Å²	76	69.6 Å²	69.6	37%	0.374	37%	0.372	S	S	.	.	S	Bend	trans	-107.9	124	-172.5	-160.4	171	-152.2	0	0	110.9	K913 L914 H921 P923	K913-M917 PolarHBondContact O-N 3.19Å; L914-M917 HydrophobicContact CD2-SD 4.37Å; L914-M917 PolarHBondContact O-N 2.88Å; M917-H921 HydrophobicContact CE-CB 4.03Å; M917-H921 WeakPolarHBondContact CE-O 3.43Å; M917-H921 HydrophobicContact CG-CB 4.47Å; M917-P923 WeakPolarHBondContact SD-CD 3.37Å
918	P	81.3	Confident	76.7	Confident	80 Å²	80	69.1 Å²	69.1	52%	0.519	37%	0.371	S	S	.	.			trans	-68.2	140.9	175.5	28.8	-34.7	0	0	0	110.5	K920 H921	P918-K920 PolarHBondContact O-N 2.96Å; P918-H921 HydrophobicContact CG-CB 4.42Å; P918-H921 PolarHBondContact O-N 2.84Å
919	A	72.9	Confident	75.6	Confident	73 Å²	73	77.3 Å²	77.3	60%	0.603	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-51.3	-32.7	-173.7	0	0	0	0	0	114.5	H921 Q922	A919-H921 VanDerWaalsContact C-N 3.27Å; A919-H921 PolarHBondContact O-N 3.07Å; A919-Q922 VanDerWaalsContact O-CB 3.28Å; A919-Q922 WeakPolarHBondContact O-CB 3.25Å; A919-Q922 PolarHBondContact O-N 3.47Å
920	K	75.3	Confident	74.5	Confident	198 Å²	198	76.9 Å²	76.9	86%	0.861	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-63.4	-26.6	177.5	-174.5	171.4	-178.4	176.8	0	114.4	P918	P918-K920 PolarHBondContact O-N 2.96Å
921	H	73.1	Confident	74	Confident	128 Å²	128	75.1 Å²	75.1	59%	0.593	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-102.4	4.8	-179	-63.7	85.7	0	0	0	112.6	M917 P918 A919	M917-H921 HydrophobicContact CE-CB 4.03Å; M917-H921 WeakPolarHBondContact CE-O 3.43Å; M917-H921 HydrophobicContact CG-CB 4.47Å; P918-H921 HydrophobicContact CG-CB 4.42Å; P918-H921 PolarHBondContact O-N 2.84Å; A919-H921 VanDerWaalsContact C-N 3.27Å; A919-H921 PolarHBondContact O-N 3.07Å
922	Q	70.3	Confident	73.6	Confident	42 Å²	42	78.4 Å²	78.4	20%	0.196	41%	0.413	C	S	.	.			trans	-66.5	127	-172	-175.3	158	22.8	0	0	111.1	L914 A919 L928 L933	L914-Q922 HydrophobicContact CD2-CG 3.93Å; A919-Q922 VanDerWaalsContact O-CB 3.28Å; A919-Q922 WeakPolarHBondContact O-CB 3.25Å; A919-Q922 PolarHBondContact O-N 3.47Å; Q922-L928 HydrophobicContact CG-CD1 3.69Å; Q922-L933 VanDerWaalsContact NE2-CD2 3.29Å
923	P	70.2	Confident	73.1	Confident	53 Å²	53	79.2 Å²	79.2	34%	0.344	42%	0.417	S	S	.	.			trans	-69.6	148.8	177.4	28.9	-36.6	0	0	0	111.6	M917 F925 L928	M917-P923 WeakPolarHBondContact SD-CD 3.37Å; P923-F925 HydrophobicContact CB-CE2 4.47Å; P923-F925 HydrophobicContact CG-CD2 3.91Å; P923-F925 HydrophobicContact CG-CE2 3.48Å; P923-F925 VanDerWaalsContact CG-CE2 3.48Å; P923-F925 HydrophobicContact CG-CZ 3.84Å; P923-F925 PolarHBondContact O-N 3.46Å; P923-L928 WeakPolarHBondContact O-CD1 3.34Å
924	D	56.3	Low	73	Confident	167 Å²	167	85.6 Å²	85.6	89%	0.893	44%	0.438	S	S	*	.			trans	-69	62.3	-179.7	-72	-43.4	0	0	0	114	I926	D924-I926 PolarHBondContact O-N 3.44Å
925	F	67.9	Low	72.9	Confident	64 Å²	64	88.7 Å²	88.7	28%	0.281	45%	0.451	S	S	.	.			trans	-71	128.6	169.7	-63	-54.7	0	0	0	110.5	D910 L914 P923 Y927 L928	D910-F925 HydrophobicContact CB-CE2 4.43Å; D910-F925 HydrophobicContact CB-CZ 4.11Å; L914-F925 HydrophobicContact CD1-CD2 4.26Å; L914-F925 HydrophobicContact CD1-CE2 4.47Å; L914-F925 HydrophobicContact CD2-CD2 4.46Å; L914-F925 HydrophobicContact CD2-CE2 4.23Å; P923-F925 HydrophobicContact CB-CE2 4.47Å; P923-F925 HydrophobicContact CG-CD2 3.91Å; P923-F925 HydrophobicContact CG-CE2 3.48Å; P923-F925 VanDerWaalsContact CG-CE2 3.48Å; P923-F925 HydrophobicContact CG-CZ 3.84Å; P923-F925 PolarHBondContact O-N 3.46Å; F925-Y927 HydrophobicContact CB-CD1 3.96Å; F925-Y927 HydrophobicContact CB-CE1 3.49Å; F925-Y927 VanDerWaalsContact CB-CE1 3.49Å; F925-Y927 HydrophobicContact CB-CE2 4.18Å; F925-Y927 HydrophobicContact CB-CG 4.47Å; F925-Y927 HydrophobicContact CD1-CE1 4.45Å; F925-Y927 HydrophobicContact CD2-CE1 4.3Å; F925-Y927 AromaticContact CD2-CZ 3.8Å; F925-Y927 WeakPolarHBondContact CD2-OH 3.43Å; F925-Y927 AromaticContact CG-CE1 3.88Å; F925-Y927 HydrophobicContact CG-CE1 3.88Å; F925-Y927 AromaticContact CG-CZ 3.84Å; F925-Y927 PolarHBondContact O-N 3.4Å; F925-L928 HydrophobicContact CB-CD1 3.84Å; F925-L928 HydrophobicContact CB-CG 4.07Å; F925-L928 HydrophobicContact CD2-CD1 4Å; F925-L928 HydrophobicContact CG-CD1 4.4Å; F925-L928 WeakPolarHBondContact O-CB 3.47Å; F925-L928 PolarHBondContact O-N 3.42Å
926	I	59.7	Low	72.9	Confident	91 Å²	91	84.3 Å²	84.3	47%	0.467	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.5	-171.4	-30.3	173.5	0	0	0	113.3	D924 H930	D924-I926 PolarHBondContact O-N 3.44Å; I926-H930 PolarHBondContact O-CD2 2.95Å; I926-H930 VanDerWaalsContact O-CD2 3.3Å
927	Y	67.4	Low	73.1	Confident	14 Å²	14	83.1 Å²	83.1	6%	0.055	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-28.1	173.9	56.3	-99.5	0	0	0	113	R911 L914 F925 R929 H930 V931 V936 L988	R911-Y927 HydrophobicContact CG-CE2 4.33Å; L914-Y927 HydrophobicContact CD1-CE2 4.3Å; F925-Y927 HydrophobicContact CB-CD1 3.96Å; F925-Y927 HydrophobicContact CB-CE1 3.49Å; F925-Y927 VanDerWaalsContact CB-CE1 3.49Å; F925-Y927 HydrophobicContact CB-CE2 4.18Å; F925-Y927 HydrophobicContact CB-CG 4.47Å; F925-Y927 HydrophobicContact CD1-CE1 4.45Å; F925-Y927 HydrophobicContact CD2-CE1 4.3Å; F925-Y927 AromaticContact CD2-CZ 3.8Å; F925-Y927 WeakPolarHBondContact CD2-OH 3.43Å; F925-Y927 AromaticContact CG-CE1 3.88Å; F925-Y927 HydrophobicContact CG-CE1 3.88Å; F925-Y927 AromaticContact CG-CZ 3.84Å; F925-Y927 PolarHBondContact O-N 3.4Å; Y927-R929 PolarHBondContact O-N 3.01Å; Y927-H930 PolarHBondContact O-N 3.25Å; Y927-V931 PolarHBondContact O-N 3.45Å; Y927-V936 HydrophobicContact CE2-CG1 4.27Å; Y927-L988 HydrophobicContact CD2-CD2 4.5Å
928	L	65.6	Low	73.3	Confident	36 Å²	36	84 Å²	84	19%	0.188	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.4	179.4	-62.8	171.6	0	0	0	113	L914 Q922 P923 F925 L933 V936	L914-L928 HydrophobicContact CD1-CD1 4.32Å; L914-L928 HydrophobicContact CD1-CD2 4.06Å; Q922-L928 HydrophobicContact CG-CD1 3.69Å; P923-L928 WeakPolarHBondContact O-CD1 3.34Å; F925-L928 HydrophobicContact CB-CD1 3.84Å; F925-L928 HydrophobicContact CB-CG 4.07Å; F925-L928 HydrophobicContact CD2-CD1 4Å; F925-L928 HydrophobicContact CG-CD1 4.4Å; F925-L928 WeakPolarHBondContact O-CB 3.47Å; F925-L928 PolarHBondContact O-N 3.42Å; L928-L933 HydrophobicContact CD2-CD2 3.7Å; L928-V936 HydrophobicContact CD2-CG2 4.49Å
929	R	64.5	Low	73.7	Confident	176 Å²	176	80.2 Å²	80.2	66%	0.664	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-25.2	176.7	-172.4	177.9	-179.8	113.1	2.7	113.4	Y927	Y927-R929 PolarHBondContact O-N 3.01Å
930	H	64.2	Low	74.5	Confident	53 Å²	53	76.8 Å²	76.8	25%	0.245	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-16.4	-173.7	-57.7	-99.5	0	0	0	113.8	I926 Y927 Y987 D1001	I926-H930 PolarHBondContact O-CD2 2.95Å; I926-H930 VanDerWaalsContact O-CD2 3.3Å; Y927-H930 PolarHBondContact O-N 3.25Å; H930-Y987 HydrophobicContact CB-CD2 3.83Å; H930-Y987 HydrophobicContact CB-CE1 4.35Å; H930-Y987 HydrophobicContact CB-CE2 3.61Å; H930-Y987 HydrophobicContact CB-CG 4.29Å; H930-Y987 AromaticContact CG-CZ 3.78Å; H930-Y987 AromaticContact ND1-CZ 3.73Å; H930-Y987 PolarHBondContact ND1-OH 3.31Å; H930-D1001 IonicContact CE1-OD1 3.78Å; H930-D1001 PolarHBondContact CE1-OD1 2.91Å; H930-D1001 VanDerWaalsContact CE1-OD1 3.25Å; H930-D1001 IonicContact CE1-OD2 3.87Å; H930-D1001 PolarHBondContact CE1-OD2 3.02Å; H930-D1001 VanDerWaalsContact CE1-OD2 3.3Å; H930-D1001 IonicContact ND1-OD1 3.88Å; H930-D1001 IonicContact NE2-OD2 2.78Å
931	V	72.4	Confident	75.2	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.012	34%	0.338	C	S	.	.	S	Bend	trans	-123.3	125	-179.7	-174.5	0	0	0	0	109.6	Y927 K935 V936 E984 Y987 L988	Y927-V931 PolarHBondContact O-N 3.45Å; V931-K935 HydrophobicContact CG1-CB 3.98Å; V931-V936 HydrophobicContact CB-CG2 4.13Å; V931-V936 HydrophobicContact CG1-CG2 3.84Å; V931-E984 HydrophobicContact CG1-CB 4.48Å; V931-E984 HydrophobicContact CG2-CB 4.17Å; V931-Y987 HydrophobicContact CG2-CD2 4.27Å; V931-L988 HydrophobicContact CG1-CD1 4.43Å
932	P	78	Confident	76	Confident	72 Å²	72	66.3 Å²	66.3	47%	0.468	32%	0.321	S	S	.	.			trans	-66.6	141.2	-178	27	-34.7	0	0	0	111.7	R934 K935 V936	P932-R934 VanDerWaalsContact C-N 3.25Å; P932-R934 PolarHBondContact O-N 3.19Å; P932-K935 HydrophobicContact CG-CB 4.3Å; P932-K935 HydrophobicContact CG-CD 4.09Å; P932-K935 HydrophobicContact CG-CG 4.2Å; P932-K935 WeakPolarHBondContact O-CB 3.45Å; P932-K935 PolarHBondContact O-N 2.88Å; P932-V936 PolarHBondContact O-N 3.43Å
933	L	77.5	Confident	76.9	Confident	69 Å²	69	64.3 Å²	64.3	36%	0.361	31%	0.312	S	S	.	.	H	α-helix	trans	-47.2	-42.8	-174.9	-71.3	168.7	0	0	0	114	Q922 L928 K935 V936 H937	Q922-L933 VanDerWaalsContact NE2-CD2 3.29Å; L928-L933 HydrophobicContact CD2-CD2 3.7Å; L933-K935 VanDerWaalsContact C-N 3.26Å; L933-K935 PolarHBondContact O-N 3.3Å; L933-V936 WeakPolarHBondContact O-CB 3.49Å; L933-V936 PolarHBondContact O-N 2.89Å; L933-V936 VanDerWaalsContact O-N 3.13Å; L933-H937 PolarHBondContact O-CD2 3.4Å; L933-H937 PolarHBondContact O-N 3.02Å
934	R	81.8	Confident	77.9	Confident	226 Å²	226	64.8 Å²	64.8	85%	0.853	31%	0.311	S	S	*	.	H	α-helix	trans	-56.5	-37.8	178.8	-67.9	-175	178.9	177.1	0.4	113.1	P932 L938	P932-R934 VanDerWaalsContact C-N 3.25Å; P932-R934 PolarHBondContact O-N 3.19Å; R934-L938 WeakPolarHBondContact O-CB 3.3Å; R934-L938 PolarHBondContact O-N 3.34Å
935	K	82.8	Confident	79.5	Confident	74 Å²	74	61 Å²	61	32%	0.322	29%	0.294	S	S	.	.	H	α-helix	trans	-75.7	-37.4	177.4	-76.8	-171.1	174.5	-173.8	0	112.1	V931 P932 L933 L938 F939 F980 E984	V931-K935 HydrophobicContact CG1-CB 3.98Å; P932-K935 HydrophobicContact CG-CB 4.3Å; P932-K935 HydrophobicContact CG-CD 4.09Å; P932-K935 HydrophobicContact CG-CG 4.2Å; P932-K935 WeakPolarHBondContact O-CB 3.45Å; P932-K935 PolarHBondContact O-N 2.88Å; L933-K935 VanDerWaalsContact C-N 3.26Å; L933-K935 PolarHBondContact O-N 3.3Å; K935-L938 PolarHBondContact O-N 2.87Å; K935-F939 WeakPolarHBondContact O-CB 3.43Å; K935-F939 PolarHBondContact O-N 3Å; K935-F980 HydrophobicContact CB-CE1 4.04Å; K935-F980 HydrophobicContact CG-CE1 4.46Å; K935-E984 WeakPolarHBondContact CD-OE1 3.39Å; K935-E984 WeakPolarHBondContact CE-OE1 3.42Å; K935-E984 IonicContact NZ-OE1 3.21Å; K935-E984 PolarHBondContact NZ-OE1 3.07Å; K935-E984 IonicContact NZ-OE2 3.71Å; K935-E984 PolarHBondContact NZ-OE2 3.2Å
936	V	83.9	Confident	80.5	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-60.1	-47.3	172	-174.8	0	0	0	0	110.2	Y927 L928 V931 P932 L933 F939 T940 L988	Y927-V936 HydrophobicContact CE2-CG1 4.27Å; L928-V936 HydrophobicContact CD2-CG2 4.49Å; V931-V936 HydrophobicContact CB-CG2 4.13Å; V931-V936 HydrophobicContact CG1-CG2 3.84Å; P932-V936 PolarHBondContact O-N 3.43Å; L933-V936 WeakPolarHBondContact O-CB 3.49Å; L933-V936 PolarHBondContact O-N 2.89Å; L933-V936 VanDerWaalsContact O-N 3.13Å; V936-F939 PolarHBondContact O-N 3.25Å; V936-T940 PolarHBondContact O-N 3.43Å; V936-T940 PolarHBondContact O-OG1 3Å; V936-L988 HydrophobicContact CG1-CD2 4.48Å; V936-L988 HydrophobicContact CG2-CD2 4.43Å
937	H	87	Confident	81.9	Confident	48 Å²	48	54.6 Å²	54.6	22%	0.222	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-46.5	176.5	-69.9	-55.7	0	0	0	112.2	F915 L933 F939 T940 V941	F915-H937 AromaticContact CD1-CE1 3.89Å; F915-H937 AromaticContact CD1-ND1 3.37Å; F915-H937 WeakPolarHBondContact CD1-ND1 3.45Å; F915-H937 AromaticContact CD2-ND1 3.91Å; F915-H937 HydrophobicContact CE1-CB 3.69Å; F915-H937 AromaticContact CE1-CG 3.62Å; F915-H937 AromaticContact CE1-ND1 3.13Å; F915-H937 WeakPolarHBondContact CE1-ND1 3.01Å; F915-H937 AromaticContact CE2-ND1 3.71Å; F915-H937 AromaticContact CG-ND1 3.76Å; F915-H937 HydrophobicContact CZ-CB 3.72Å; F915-H937 AromaticContact CZ-CG 3.87Å; F915-H937 AromaticContact CZ-ND1 3.31Å; F915-H937 VanDerWaalsContact CZ-ND1 3.31Å; F915-H937 WeakPolarHBondContact CZ-ND1 3.39Å; L933-H937 PolarHBondContact O-CD2 3.4Å; L933-H937 PolarHBondContact O-N 3.02Å; H937-F939 PolarHBondContact O-N 2.92Å; H937-T940 VanDerWaalsContact CA-OG1 3.28Å; H937-T940 WeakPolarHBondContact CA-OG1 3.23Å; H937-T940 PolarHBondContact O-N 3.21Å; H937-T940 PolarHBondContact O-OG1 3.28Å; H937-V941 WeakPolarHBondContact O-CG2 3.43Å; H937-V941 PolarHBondContact O-N 3.48Å
938	L	88	Confident	83	Confident	95 Å²	95	57.9 Å²	57.9	50%	0.497	29%	0.286	S	S	.	.	H	α-helix	trans	-55.8	-49.6	176.1	-179.3	63.1	0	0	0	111.8	R934 K935 T940 V941 T942 F980	R934-L938 WeakPolarHBondContact O-CB 3.3Å; R934-L938 PolarHBondContact O-N 3.34Å; K935-L938 PolarHBondContact O-N 2.87Å; L938-T940 VanDerWaalsContact C-N 3.34Å; L938-T940 PolarHBondContact O-N 2.98Å; L938-V941 PolarHBondContact O-N 2.88Å; L938-T942 PolarHBondContact O-N 3.48Å; L938-T942 PolarHBondContact O-OG1 3.03Å; L938-F980 HydrophobicContact CB-CZ 4.4Å; L938-F980 HydrophobicContact CD2-CE2 4.44Å; L938-F980 HydrophobicContact CD2-CZ 4.08Å; L938-F980 HydrophobicContact CG-CZ 4.22Å
939	F	88.5	Confident	84	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-56.2	-46.8	177.3	-179.5	-82.5	0	0	0	112	F576 K935 V936 H937 T942 Q943 F980 L988 D989	F576-F939 HydrophobicContact CB-CZ 4.27Å; F576-F939 AromaticContact CD2-CE1 3.71Å; F576-F939 HydrophobicContact CD2-CE1 3.71Å; F576-F939 HydrophobicContact CD2-CE2 4.11Å; F576-F939 AromaticContact CD2-CZ 3.42Å; F576-F939 HydrophobicContact CD2-CZ 3.42Å; F576-F939 VanDerWaalsContact CD2-CZ 3.42Å; F576-F939 HydrophobicContact CE2-CE1 4.24Å; F576-F939 HydrophobicContact CE2-CZ 4.15Å; F576-F939 HydrophobicContact CG-CZ 4.27Å; K935-F939 WeakPolarHBondContact O-CB 3.43Å; K935-F939 PolarHBondContact O-N 3Å; V936-F939 PolarHBondContact O-N 3.25Å; H937-F939 PolarHBondContact O-N 2.92Å; F939-T942 PolarHBondContact O-N 2.73Å; F939-Q943 PolarHBondContact O-N 3.07Å; F939-F980 HydrophobicContact CB-CE1 4.22Å; F939-F980 HydrophobicContact CB-CZ 3.92Å; F939-F980 HydrophobicContact CD2-CZ 4.46Å; F939-L988 HydrophobicContact CB-CD1 4.25Å; F939-L988 HydrophobicContact CD2-CD1 3.89Å; F939-L988 HydrophobicContact CE2-CB 4.29Å; F939-L988 HydrophobicContact CE2-CD1 4.36Å; F939-L988 HydrophobicContact CG-CD1 4.01Å; F939-L988 HydrophobicContact CZ-CB 4.3Å; F939-D989 WeakPolarHBondContact CZ-OD1 3.31Å
940	T	89.6	Confident	85	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-68.9	-31.9	178.5	46.9	0	0	0	0	114.1	R911 F915 V936 H937 L938 Q943 L944	R911-T940 HydrophobicContact CB-CG2 3.46Å; R911-T940 VanDerWaalsContact CB-CG2 3.46Å; R911-T940 HydrophobicContact CG-CG2 4.27Å; F915-T940 WeakPolarHBondContact CE2-OG1 3.43Å; F915-T940 VanDerWaalsContact CZ-OG1 3.24Å; F915-T940 WeakPolarHBondContact CZ-OG1 3.4Å; V936-T940 PolarHBondContact O-N 3.43Å; V936-T940 PolarHBondContact O-OG1 3Å; H937-T940 VanDerWaalsContact CA-OG1 3.28Å; H937-T940 WeakPolarHBondContact CA-OG1 3.23Å; H937-T940 PolarHBondContact O-N 3.21Å; H937-T940 PolarHBondContact O-OG1 3.28Å; L938-T940 VanDerWaalsContact C-N 3.34Å; L938-T940 PolarHBondContact O-N 2.98Å; T940-Q943 PolarHBondContact O-N 3.37Å; T940-L944 VanDerWaalsContact O-CB 3.28Å; T940-L944 WeakPolarHBondContact O-CB 3.34Å; T940-L944 PolarHBondContact O-N 3.31Å
941	V	90.9	Very high	86.1	Confident	68 Å²	68	52.8 Å²	52.8	41%	0.412	27%	0.268	S	S	.	.	H	α-helix	trans	-65.1	-45.5	172.1	169.5	0	0	0	0	109.5	F915 H937 L938 Q943 L944 T945	F915-V941 HydrophobicContact CE1-CG2 4.34Å; F915-V941 HydrophobicContact CZ-CG2 3.87Å; H937-V941 WeakPolarHBondContact O-CG2 3.43Å; H937-V941 PolarHBondContact O-N 3.48Å; L938-V941 PolarHBondContact O-N 2.88Å; V941-Q943 VanDerWaalsContact C-N 3.32Å; V941-Q943 PolarHBondContact O-N 3.34Å; V941-L944 PolarHBondContact O-N 2.84Å; V941-T945 PolarHBondContact O-N 2.68Å; V941-T945 PolarHBondContact O-OG1 3.32Å; V941-T945 VanDerWaalsContact O-OG1 3.07Å
942	T	89.1	Confident	86.8	Confident	38 Å²	38	56.9 Å²	56.9	23%	0.233	29%	0.293	C	S	.	.	H	α-helix	trans	-58.2	-44.2	174.9	-52.3	0	0	0	0	111.5	L938 F939 T945 C946 L976	L938-T942 PolarHBondContact O-N 3.48Å; L938-T942 PolarHBondContact O-OG1 3.03Å; F939-T942 PolarHBondContact O-N 2.73Å; T942-T945 PolarHBondContact O-N 3.38Å; T942-C946 PolarHBondContact O-N 2.68Å; T942-C946 VanDerWaalsContact O-N 3.08Å; T942-C946 PolarHBondContact O-SG 2.87Å; T942-L976 HydrophobicContact CG2-CD1 4.11Å; T942-L976 HydrophobicContact CG2-CD2 4.25Å; T942-L976 HydrophobicContact CG2-CG 4.48Å
943	Q	90.1	Very high	87.1	Confident	1 Å²	1	55 Å²	55	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-44.2	176.4	-158.9	169.9	4.1	0	0	112.2	F576 A580 F908 F939 T940 V941 C946 L947	F576-Q943 HydrophobicContact CD2-CB 4.15Å; F576-Q943 HydrophobicContact CD2-CG 3.82Å; F576-Q943 HydrophobicContact CE2-CB 3.48Å; F576-Q943 VanDerWaalsContact CE2-CB 3.48Å; F576-Q943 HydrophobicContact CE2-CG 3.54Å; F576-Q943 HydrophobicContact CZ-CB 4.1Å; F576-Q943 HydrophobicContact CZ-CG 4.08Å; F576-Q943 PolarHBondContact O-NE2 3.33Å; A580-Q943 HydrophobicContact CB-CG 4.17Å; F908-Q943 HydrophobicContact CD2-CB 4.02Å; F908-Q943 HydrophobicContact CD2-CG 3.77Å; F908-Q943 HydrophobicContact CE2-CB 3.85Å; F908-Q943 HydrophobicContact CE2-CG 3.92Å; F908-Q943 HydrophobicContact CG-CG 4.43Å; F939-Q943 PolarHBondContact O-N 3.07Å; T940-Q943 PolarHBondContact O-N 3.37Å; V941-Q943 VanDerWaalsContact C-N 3.32Å; V941-Q943 PolarHBondContact O-N 3.34Å; Q943-C946 PolarHBondContact O-N 2.9Å; Q943-L947 WeakPolarHBondContact O-CB 3.01Å; Q943-L947 PolarHBondContact O-N 2.64Å
944	L	91.1	Very high	87.1	Confident	62 Å²	62	54.6 Å²	54.6	33%	0.325	27%	0.274	S	S	.	.	H	α-helix	trans	-66	-41.6	178.7	-178.2	65.1	0	0	0	112.1	F908 L912 T940 V941 C946 L947 V948	F908-L944 HydrophobicContact CE2-CB 4.37Å; F908-L944 HydrophobicContact CZ-CB 4.25Å; F908-L944 HydrophobicContact CZ-CD1 4.09Å; L912-L944 HydrophobicContact CD1-CD2 4.25Å; T940-L944 VanDerWaalsContact O-CB 3.28Å; T940-L944 WeakPolarHBondContact O-CB 3.34Å; T940-L944 PolarHBondContact O-N 3.31Å; V941-L944 PolarHBondContact O-N 2.84Å; L944-C946 VanDerWaalsContact C-N 3.33Å; L944-C946 PolarHBondContact O-N 2.95Å; L944-L947 HydrophobicContact CD1-CD2 4.33Å; L944-L947 WeakPolarHBondContact O-CB 3.45Å; L944-L947 PolarHBondContact O-N 3.46Å; L944-V948 WeakPolarHBondContact O-CG2 3.46Å; L944-V948 PolarHBondContact O-N 3.03Å
945	T	90.5	Very high	87	Confident	89 Å²	89	47.9 Å²	47.9	55%	0.546	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-41.7	174.9	-60.1	0	0	0	0	111.3	V941 T942 V948 L949	V941-T945 PolarHBondContact O-N 2.68Å; V941-T945 PolarHBondContact O-OG1 3.32Å; V941-T945 VanDerWaalsContact O-OG1 3.07Å; T942-T945 PolarHBondContact O-N 3.38Å; T945-V948 PolarHBondContact O-N 3.5Å; T945-L949 PolarHBondContact O-N 3.26Å
946	C	88.2	Confident	87	Confident	12 Å²	12	46.1 Å²	46.1	8%	0.081	26%	0.255	C	S	.	.	H	α-helix	trans	-63.2	-41.1	173.8	-64.5	0	0	0	0	112	T942 Q943 L944 L949 L950 L969	T942-C946 PolarHBondContact O-N 2.68Å; T942-C946 VanDerWaalsContact O-N 3.08Å; T942-C946 PolarHBondContact O-SG 2.87Å; Q943-C946 PolarHBondContact O-N 2.9Å; L944-C946 VanDerWaalsContact C-N 3.33Å; L944-C946 PolarHBondContact O-N 2.95Å; C946-L949 WeakPolarHBondContact O-CB 3.37Å; C946-L949 PolarHBondContact O-N 2.87Å; C946-L950 WeakPolarHBondContact O-CG 3.42Å; C946-L950 PolarHBondContact O-N 2.71Å; C946-L969 HydrophobicContact CB-CD2 3.72Å
947	L	88.7	Confident	86.5	Confident	8 Å²	8	51.6 Å²	51.6	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-43.8	176.8	-170.3	73	0	0	0	112.4	A580 L584 L587 F908 Q943 L944 L950 W951	A580-L947 VanDerWaalsContact O-CD1 3.23Å; A580-L947 WeakPolarHBondContact O-CD1 3.28Å; L584-L947 HydrophobicContact CB-CD1 3.63Å; L584-L947 HydrophobicContact CD1-CD1 3.95Å; L584-L947 HydrophobicContact CD1-CG 4.5Å; L584-L947 HydrophobicContact CG-CD1 4.35Å; L587-L947 HydrophobicContact CD1-CD2 3.88Å; F908-L947 HydrophobicContact CE1-CD2 3.69Å; F908-L947 HydrophobicContact CZ-CD2 3.96Å; Q943-L947 WeakPolarHBondContact O-CB 3.01Å; Q943-L947 PolarHBondContact O-N 2.64Å; L944-L947 HydrophobicContact CD1-CD2 4.33Å; L944-L947 WeakPolarHBondContact O-CB 3.45Å; L944-L947 PolarHBondContact O-N 3.46Å; L947-L950 PolarHBondContact O-N 3.25Å; L947-W951 PolarHBondContact O-N 3.43Å
948	V	90.3	Very high	85.9	Confident	82 Å²	82	51.3 Å²	51.3	50%	0.497	30%	0.297	S	S	.	.	H	α-helix	trans	-65.4	-39.9	176.3	171.6	0	0	0	0	111	L944 T945 W951 V952	L944-V948 WeakPolarHBondContact O-CG2 3.46Å; L944-V948 PolarHBondContact O-N 3.03Å; T945-V948 PolarHBondContact O-N 3.5Å; V948-W951 WeakPolarHBondContact O-CB 3.39Å; V948-W951 PolarHBondContact O-N 3.29Å; V948-V952 WeakPolarHBondContact O-CG2 3.5Å; V948-V952 PolarHBondContact O-N 2.84Å
949	L	87.4	Confident	85.1	Confident	92 Å²	92	47.6 Å²	47.6	48%	0.482	28%	0.28	S	S	.	.	H	α-helix	trans	-59.3	-48.3	174.7	-167.8	89.5	0	0	0	111.3	T945 C946 W951 V952 I953 M965	T945-L949 PolarHBondContact O-N 3.26Å; C946-L949 WeakPolarHBondContact O-CB 3.37Å; C946-L949 PolarHBondContact O-N 2.87Å; L949-W951 VanDerWaalsContact C-N 3.29Å; L949-W951 PolarHBondContact O-N 2.81Å; L949-V952 PolarHBondContact O-N 3.35Å; L949-I953 HydrophobicContact CD2-CD1 4.16Å; L949-I953 HydrophobicContact CG-CD1 3.94Å; L949-I953 WeakPolarHBondContact O-CD1 3.19Å; L949-I953 VanDerWaalsContact O-CG1 3.31Å; L949-I953 WeakPolarHBondContact O-CG1 3.36Å; L949-I953 PolarHBondContact O-N 3.38Å; L949-I953 VanDerWaalsContact O-N 3.09Å; L949-M965 HydrophobicContact CD2-SD 3.92Å
950	L	84.8	Confident	84.3	Confident	2 Å²	2	50 Å²	50	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-58.9	-41.1	175.9	-66.9	162.5	0	0	0	111.8	L584 C946 L947 I953 K954 F962 M965 V966 L969	L584-L950 HydrophobicContact CD1-CB 4.26Å; L584-L950 HydrophobicContact CD2-CB 3.7Å; L584-L950 HydrophobicContact CD2-CD1 4.03Å; L584-L950 HydrophobicContact CD2-CG 4.39Å; C946-L950 WeakPolarHBondContact O-CG 3.42Å; C946-L950 PolarHBondContact O-N 2.71Å; L947-L950 PolarHBondContact O-N 3.25Å; L950-I953 PolarHBondContact O-N 3.07Å; L950-K954 VanDerWaalsContact O-CB 3.23Å; L950-K954 WeakPolarHBondContact O-CB 3.34Å; L950-K954 PolarHBondContact O-N 3.29Å; L950-F962 HydrophobicContact CD2-CE2 4.3Å; L950-M965 HydrophobicContact CD2-CB 4.06Å; L950-M965 HydrophobicContact CD2-CG 3.54Å; L950-V966 HydrophobicContact CD2-CG2 4.48Å; L950-L969 HydrophobicContact CD1-CD1 3.62Å; L950-L969 HydrophobicContact CD1-CD2 4.04Å; L950-L969 HydrophobicContact CD1-CG 4.33Å; L950-L969 HydrophobicContact CD2-CD1 4.31Å; L950-L969 HydrophobicContact CG-CD1 4.48Å; L950-L969 HydrophobicContact CG-CD2 4.41Å
951	W	87	Confident	83.8	Confident	65 Å²	65	54.3 Å²	54.3	25%	0.246	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-51.6	178.4	-173.7	-86.4	0	0	0	112.1	L584 L587 I588 Y591 L947 V948 L949 I953 K954 T955	L584-W951 HydrophobicContact CD1-CB 4.4Å; L584-W951 HydrophobicContact CD1-CE3 3.87Å; L587-W951 HydrophobicContact CB-CE3 4.49Å; L587-W951 HydrophobicContact CB-CZ3 3.79Å; I588-W951 HydrophobicContact CB-CZ3 4.37Å; I588-W951 HydrophobicContact CG1-CE3 4.18Å; I588-W951 HydrophobicContact CG1-CH2 4.21Å; I588-W951 HydrophobicContact CG1-CZ3 3.57Å; Y591-W951 HydrophobicContact CD1-CH2 4.34Å; Y591-W951 HydrophobicContact CD1-CZ2 4.2Å; Y591-W951 HydrophobicContact CD2-CH2 4.36Å; Y591-W951 AromaticContact CD2-CZ2 3.92Å; Y591-W951 HydrophobicContact CD2-CZ2 3.92Å; Y591-W951 HydrophobicContact CE2-CZ2 4.46Å; Y591-W951 AromaticContact CG-CH2 3.85Å; Y591-W951 HydrophobicContact CG-CH2 3.85Å; Y591-W951 AromaticContact CG-CZ2 3.77Å; Y591-W951 HydrophobicContact CG-CZ2 3.77Å; L947-W951 PolarHBondContact O-N 3.43Å; V948-W951 WeakPolarHBondContact O-CB 3.39Å; V948-W951 PolarHBondContact O-N 3.29Å; L949-W951 VanDerWaalsContact C-N 3.29Å; L949-W951 PolarHBondContact O-N 2.81Å; W951-I953 VanDerWaalsContact C-N 3.32Å; W951-I953 PolarHBondContact O-N 3.26Å; W951-K954 WeakPolarHBondContact O-CB 3.43Å; W951-K954 PolarHBondContact O-N 3.08Å; W951-K954 VanDerWaalsContact O-N 3.16Å; W951-T955 PolarHBondContact O-N 3.38Å; W951-T955 PolarHBondContact O-OG1 3.04Å
952	V	87.7	Confident	82.9	Confident	87 Å²	87	51.5 Å²	51.5	53%	0.527	30%	0.296	S	S	.	.	H	α-helix	trans	-59.3	-44.6	179.6	172.6	0	0	0	0	110.7	V948 L949 K954 T955 S956	V948-V952 WeakPolarHBondContact O-CG2 3.5Å; V948-V952 PolarHBondContact O-N 2.84Å; L949-V952 PolarHBondContact O-N 3.35Å; V952-K954 PolarHBondContact O-N 3.42Å; V952-T955 PolarHBondContact O-N 3.25Å; V952-T955 PolarHBondContact O-OG1 3.45Å; V952-S956 PolarHBondContact O-N 3.14Å
953	I	83.3	Confident	82.1	Confident	32 Å²	32	50 Å²	50	16%	0.164	29%	0.287	C	S	.	.	H	α-helix	trans	-64.4	-41.1	177.5	-65.2	164.5	0	0	0	111	L949 L950 W951 T955 S956 M965	L949-I953 HydrophobicContact CD2-CD1 4.16Å; L949-I953 HydrophobicContact CG-CD1 3.94Å; L949-I953 WeakPolarHBondContact O-CD1 3.19Å; L949-I953 VanDerWaalsContact O-CG1 3.31Å; L949-I953 WeakPolarHBondContact O-CG1 3.36Å; L949-I953 PolarHBondContact O-N 3.38Å; L949-I953 VanDerWaalsContact O-N 3.09Å; L950-I953 PolarHBondContact O-N 3.07Å; W951-I953 VanDerWaalsContact C-N 3.32Å; W951-I953 PolarHBondContact O-N 3.26Å; I953-T955 VanDerWaalsContact C-N 3.3Å; I953-T955 PolarHBondContact O-N 3.42Å; I953-S956 WeakPolarHBondContact O-CB 3.28Å; I953-S956 PolarHBondContact O-N 3.39Å; I953-S956 PolarHBondContact O-OG 2.84Å; I953-M965 HydrophobicContact CD1-CE 3.87Å; I953-M965 HydrophobicContact CD1-CG 4.02Å; I953-M965 HydrophobicContact CD1-SD 4.11Å
954	K	79.3	Confident	81.6	Confident	62 Å²	62	54.8 Å²	54.8	27%	0.27	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-30.8	176.1	178.4	-95.1	176.7	179.5	0	113.1	I588 L950 W951 V952 S956	I588-K954 HydrophobicContact CD1-CD 3.89Å; I588-K954 HydrophobicContact CD1-CG 4.05Å; I588-K954 HydrophobicContact CG1-CD 4.09Å; L950-K954 VanDerWaalsContact O-CB 3.23Å; L950-K954 WeakPolarHBondContact O-CB 3.34Å; L950-K954 PolarHBondContact O-N 3.29Å; W951-K954 WeakPolarHBondContact O-CB 3.43Å; W951-K954 PolarHBondContact O-N 3.08Å; W951-K954 VanDerWaalsContact O-N 3.16Å; V952-K954 PolarHBondContact O-N 3.42Å; K954-S956 VanDerWaalsContact C-N 3.31Å
955	T	79.6	Confident	80.9	Confident	84 Å²	84	53.9 Å²	53.9	52%	0.515	31%	0.306	S	S	.	.	H	α-helix	trans	-77.9	-14.5	172.6	53.4	0	0	0	0	113.9	W951 V952 I953	W951-T955 PolarHBondContact O-N 3.38Å; W951-T955 PolarHBondContact O-OG1 3.04Å; V952-T955 PolarHBondContact O-N 3.25Å; V952-T955 PolarHBondContact O-OG1 3.45Å; I953-T955 VanDerWaalsContact C-N 3.3Å; I953-T955 PolarHBondContact O-N 3.42Å
956	S	81.9	Confident	80.2	Confident	37 Å²	37	49.9 Å²	49.9	26%	0.259	28%	0.281	S	S	.	.	S	Bend	trans	-90	159.7	-178.9	83.7	0	0	0	0	112.3	V952 I953 K954 A958 A959	V952-S956 PolarHBondContact O-N 3.14Å; I953-S956 WeakPolarHBondContact O-CB 3.28Å; I953-S956 PolarHBondContact O-N 3.39Å; I953-S956 PolarHBondContact O-OG 2.84Å; K954-S956 VanDerWaalsContact C-N 3.31Å; S956-A958 PolarHBondContact O-N 3.04Å; S956-A958 WeakPolarHBondContact OG-CB 3.23Å; S956-A958 PolarHBondContact OG-N 3.36Å; S956-A958 VanDerWaalsContact OG-N 3.14Å; S956-A959 WeakPolarHBondContact O-CB 3.47Å; S956-A959 PolarHBondContact O-N 3.13Å; S956-A959 VanDerWaalsContact O-N 3.09Å
957	P	73.6	Confident	79.7	Confident	119 Å²	119	53 Å²	53	77%	0.773	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-62.5	-11.6	170.3	26.8	-35.4	0	0	0	113.8	A959	P957-A959 PolarHBondContact O-N 3.43Å
958	A	75.3	Confident	79.4	Confident	42 Å²	42	54.2 Å²	54.2	35%	0.347	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-77.7	6.1	172.6	0	0	0	0	0	113.8	S956 I960 I961	S956-A958 PolarHBondContact O-N 3.04Å; S956-A958 WeakPolarHBondContact OG-CB 3.23Å; S956-A958 PolarHBondContact OG-N 3.36Å; S956-A958 VanDerWaalsContact OG-N 3.14Å; A958-I960 PolarHBondContact O-N 3.42Å; A958-I961 WeakPolarHBondContact O-CB 3.33Å; A958-I961 PolarHBondContact O-N 3.14Å
959	A	70.8	Confident	78.9	Confident	17 Å²	17	50.5 Å²	50.5	14%	0.14	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-53.4	-18.4	175.9	0	0	0	0	0	114.6	V527 S956 P957 I961 F962	V527-A959 HydrophobicContact CG1-CB 4.39Å; S956-A959 WeakPolarHBondContact O-CB 3.47Å; S956-A959 PolarHBondContact O-N 3.13Å; S956-A959 VanDerWaalsContact O-N 3.09Å; P957-A959 PolarHBondContact O-N 3.43Å; A959-I961 PolarHBondContact O-N 2.83Å; A959-F962 WeakPolarHBondContact O-CB 3.49Å; A959-F962 PolarHBondContact O-N 3.15Å; A959-F962 VanDerWaalsContact O-N 3.15Å
960	I	72.1	Confident	78.5	Confident	50 Å²	50	47.8 Å²	47.8	26%	0.256	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-57.8	-33.5	170.6	-47.6	176	0	0	0	112	I531 L776 A958 F962 P963	I531-I960 HydrophobicContact CD1-CD1 3.57Å; I531-I960 HydrophobicContact CD1-CG1 3.67Å; I531-I960 HydrophobicContact CG2-CD1 4.09Å; L776-I960 HydrophobicContact CD1-CG2 3.61Å; L776-I960 HydrophobicContact CD2-CG2 3.36Å; L776-I960 HydrophobicContact CG-CG2 4.14Å; A958-I960 PolarHBondContact O-N 3.42Å; I960-F962 PolarHBondContact O-N 3.36Å; I960-P963 WeakPolarHBondContact O-CD 3.37Å
961	I	77.8	Confident	78.4	Confident	91 Å²	91	54 Å²	54	47%	0.467	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-79.8	-5.2	-177.4	-57.7	173.4	0	0	0	111.5	A958 A959 P963 M964 M965	A958-I961 WeakPolarHBondContact O-CB 3.33Å; A958-I961 PolarHBondContact O-N 3.14Å; A959-I961 PolarHBondContact O-N 2.83Å; I961-P963 VanDerWaalsContact C-CD 3.45Å; I961-P963 VanDerWaalsContact O-N 3.15Å; I961-M964 HydrophobicContact CG2-CB 4.11Å; I961-M964 WeakPolarHBondContact O-CB 3.33Å; I961-M964 PolarHBondContact O-N 3.17Å; I961-M965 PolarHBondContact O-N 2.98Å
962	F	72.4	Confident	78.2	Confident	9 Å²	9	53.3 Å²	53.3	4%	0.039	30%	0.3	C	S	.	.	H	α-helix	trans	-46.4	-45.1	-176.1	177.3	-107.6	0	0	0	115.2	P524 F581 L584 L950 A959 I960 M964 M965 V966	P524-F962 HydrophobicContact CG-CD1 4.27Å; P524-F962 HydrophobicContact CG-CE1 4.38Å; F581-F962 HydrophobicContact CD2-CZ 4.26Å; F581-F962 AromaticContact CE2-CE1 3.74Å; F581-F962 HydrophobicContact CE2-CE1 3.74Å; F581-F962 AromaticContact CE2-CZ 3.7Å; F581-F962 HydrophobicContact CE2-CZ 3.7Å; F581-F962 HydrophobicContact CZ-CE1 4.44Å; L584-F962 HydrophobicContact CD2-CE2 3.57Å; L584-F962 HydrophobicContact CD2-CZ 3.8Å; L950-F962 HydrophobicContact CD2-CE2 4.3Å; A959-F962 WeakPolarHBondContact O-CB 3.49Å; A959-F962 PolarHBondContact O-N 3.15Å; A959-F962 VanDerWaalsContact O-N 3.15Å; I960-F962 PolarHBondContact O-N 3.36Å; F962-M964 PolarHBondContact O-N 3.4Å; F962-M965 WeakPolarHBondContact O-CB 3.37Å; F962-M965 PolarHBondContact O-N 3.37Å; F962-M965 VanDerWaalsContact O-N 3.11Å; F962-V966 HydrophobicContact CE1-CG2 4.44Å; F962-V966 HydrophobicContact CE2-CG2 4.41Å; F962-V966 HydrophobicContact CZ-CG2 4.24Å; F962-V966 PolarHBondContact O-N 3.13Å; F962-V966 VanDerWaalsContact O-N 3.08Å
963	P	72.1	Confident	78	Confident	7 Å²	7	50 Å²	50	5%	0.045	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-37.6	178	-22.2	34.7	0	0	0	113.8	I779 L780 M783 I960 I961 M965 V966 L967	I779-P963 HydrophobicContact CG2-CB 3.91Å; L780-P963 HydrophobicContact CB-CG 3.66Å; L780-P963 HydrophobicContact CD1-CG 4.23Å; L780-P963 HydrophobicContact CG-CG 3.82Å; M783-P963 HydrophobicContact CB-CB 4.43Å; M783-P963 HydrophobicContact CG-CB 4.15Å; I960-P963 WeakPolarHBondContact O-CD 3.37Å; I961-P963 VanDerWaalsContact C-CD 3.45Å; I961-P963 VanDerWaalsContact O-N 3.15Å; P963-M965 VanDerWaalsContact C-N 3.28Å; P963-M965 PolarHBondContact O-N 3.31Å; P963-V966 PolarHBondContact O-N 3.08Å; P963-L967 PolarHBondContact O-N 3.11Å; P963-L967 VanDerWaalsContact O-N 3.14Å
964	M	79.4	Confident	77.8	Confident	101 Å²	101	55.2 Å²	55.2	50%	0.498	30%	0.3	S	S	.	.	H	α-helix	trans	-67.5	-31	175.5	-65.7	-62.7	-64.6	0	0	111.6	I779 I961 F962 L967 A968	I779-M964 HydrophobicContact CD1-SD 4.27Å; I779-M964 HydrophobicContact CG2-SD 4.33Å; I961-M964 HydrophobicContact CG2-CB 4.11Å; I961-M964 WeakPolarHBondContact O-CB 3.33Å; I961-M964 PolarHBondContact O-N 3.17Å; F962-M964 PolarHBondContact O-N 3.4Å; M964-L967 PolarHBondContact O-N 3.12Å; M964-L967 HydrophobicContact SD-CD1 4.08Å; M964-A968 PolarHBondContact O-N 3.02Å
965	M	77.7	Confident	77.9	Confident	44 Å²	44	56.2 Å²	56.2	22%	0.217	31%	0.307	C	S	.	.	H	α-helix	trans	-71.3	-34.3	174.2	-165.4	57.6	50.5	0	0	112	L949 L950 I953 I961 F962 P963 L967 A968 L969	L949-M965 HydrophobicContact CD2-SD 3.92Å; L950-M965 HydrophobicContact CD2-CB 4.06Å; L950-M965 HydrophobicContact CD2-CG 3.54Å; I953-M965 HydrophobicContact CD1-CE 3.87Å; I953-M965 HydrophobicContact CD1-CG 4.02Å; I953-M965 HydrophobicContact CD1-SD 4.11Å; I961-M965 PolarHBondContact O-N 2.98Å; F962-M965 WeakPolarHBondContact O-CB 3.37Å; F962-M965 PolarHBondContact O-N 3.37Å; F962-M965 VanDerWaalsContact O-N 3.11Å; P963-M965 VanDerWaalsContact C-N 3.28Å; P963-M965 PolarHBondContact O-N 3.31Å; M965-L967 VanDerWaalsContact C-N 3.35Å; M965-A968 WeakPolarHBondContact O-CA 3.41Å; M965-A968 WeakPolarHBondContact O-CB 3.44Å; M965-A968 PolarHBondContact O-N 3.29Å; M965-A968 VanDerWaalsContact O-N 3.11Å; M965-A968 HydrophobicContact SD-CB 4.13Å; M965-L969 PolarHBondContact O-N 3.19Å; M965-L969 VanDerWaalsContact O-N 3.12Å
966	V	75.6	Confident	78	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.024	29%	0.285	C	S	.	.	H	α-helix	trans	-66.1	-37.8	172.3	-178.4	0	0	0	0	111.1	F581 M783 I787 L950 F962 P963 A968 L969	F581-V966 HydrophobicContact CD2-CG1 4.32Å; F581-V966 HydrophobicContact CD2-CG2 3.94Å; F581-V966 HydrophobicContact CE2-CG2 4.07Å; M783-V966 HydrophobicContact CE-CB 3.85Å; M783-V966 HydrophobicContact CE-CG1 3.55Å; I787-V966 HydrophobicContact CD1-CG1 3.74Å; L950-V966 HydrophobicContact CD2-CG2 4.48Å; F962-V966 HydrophobicContact CE1-CG2 4.44Å; F962-V966 HydrophobicContact CE2-CG2 4.41Å; F962-V966 HydrophobicContact CZ-CG2 4.24Å; F962-V966 PolarHBondContact O-N 3.13Å; F962-V966 VanDerWaalsContact O-N 3.08Å; P963-V966 PolarHBondContact O-N 3.08Å; V966-A968 VanDerWaalsContact C-N 3.29Å; V966-A968 PolarHBondContact O-N 3.13Å; V966-L969 HydrophobicContact CB-CD1 4.5Å; V966-L969 HydrophobicContact CG1-CD1 4.27Å; V966-L969 VanDerWaalsContact O-CB 3.3Å; V966-L969 WeakPolarHBondContact O-CB 3.4Å; V966-L969 PolarHBondContact O-N 3.38Å; V966-L969 VanDerWaalsContact O-N 3.13Å
967	L	77.8	Confident	77.8	Confident	78 Å²	78	54.7 Å²	54.7	41%	0.408	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-36	168.8	-69.4	172.4	0	0	0	112.2	M783 P963 M964 M965 L969 V970 F971	M783-L967 HydrophobicContact CE-CD2 3.76Å; M783-L967 HydrophobicContact CE-CG 3.86Å; M783-L967 HydrophobicContact SD-CD2 3.76Å; M783-L967 HydrophobicContact SD-CG 4.06Å; P963-L967 PolarHBondContact O-N 3.11Å; P963-L967 VanDerWaalsContact O-N 3.14Å; M964-L967 PolarHBondContact O-N 3.12Å; M964-L967 HydrophobicContact SD-CD1 4.08Å; M965-L967 VanDerWaalsContact C-N 3.35Å; L967-L969 VanDerWaalsContact C-N 3.26Å; L967-L969 PolarHBondContact O-N 2.96Å; L967-V970 WeakPolarHBondContact O-CB 3.03Å; L967-V970 PolarHBondContact O-N 3.44Å; L967-V970 VanDerWaalsContact O-N 3.13Å; L967-F971 PolarHBondContact O-N 3.11Å
968	A	82.2	Confident	78	Confident	34 Å²	34	56 Å²	56	28%	0.281	29%	0.293	S	S	.	.	H	α-helix	trans	-64.2	-28.7	173.9	0	0	0	0	0	112.8	M964 M965 V966 V970 F971 I972	M964-A968 PolarHBondContact O-N 3.02Å; M965-A968 WeakPolarHBondContact O-CA 3.41Å; M965-A968 WeakPolarHBondContact O-CB 3.44Å; M965-A968 PolarHBondContact O-N 3.29Å; M965-A968 VanDerWaalsContact O-N 3.11Å; M965-A968 HydrophobicContact SD-CB 4.13Å; V966-A968 VanDerWaalsContact C-N 3.29Å; V966-A968 PolarHBondContact O-N 3.13Å; A968-V970 VanDerWaalsContact C-N 3.31Å; A968-V970 PolarHBondContact O-N 3.45Å; A968-F971 PolarHBondContact O-N 3.24Å; A968-I972 WeakPolarHBondContact O-CG1 3.47Å; A968-I972 PolarHBondContact O-N 3.42Å
969	L	79.2	Confident	78.1	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-37	171.7	-55.8	171.8	0	0	0	112.2	T577 C946 L950 M965 V966 L967 F971 I972 R973	T577-L969 HydrophobicContact CG2-CB 3.87Å; C946-L969 HydrophobicContact CB-CD2 3.72Å; L950-L969 HydrophobicContact CD1-CD1 3.62Å; L950-L969 HydrophobicContact CD1-CD2 4.04Å; L950-L969 HydrophobicContact CD1-CG 4.33Å; L950-L969 HydrophobicContact CD2-CD1 4.31Å; L950-L969 HydrophobicContact CG-CD1 4.48Å; L950-L969 HydrophobicContact CG-CD2 4.41Å; M965-L969 PolarHBondContact O-N 3.19Å; M965-L969 VanDerWaalsContact O-N 3.12Å; V966-L969 HydrophobicContact CB-CD1 4.5Å; V966-L969 HydrophobicContact CG1-CD1 4.27Å; V966-L969 VanDerWaalsContact O-CB 3.3Å; V966-L969 WeakPolarHBondContact O-CB 3.4Å; V966-L969 PolarHBondContact O-N 3.38Å; V966-L969 VanDerWaalsContact O-N 3.13Å; L967-L969 VanDerWaalsContact C-N 3.26Å; L967-L969 PolarHBondContact O-N 2.96Å; L969-F971 VanDerWaalsContact C-N 3.29Å; L969-I972 PolarHBondContact O-N 3.46Å; L969-R973 WeakPolarHBondContact O-CB 3.32Å; L969-R973 PolarHBondContact O-N 2.81Å
970	V	78.6	Confident	78.5	Confident	34 Å²	34	58.2 Å²	58.2	21%	0.206	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-38.5	175.1	-179.8	0	0	0	0	110.1	Y572 T577 L967 A968 R973 K974	Y572-V970 VanDerWaalsContact O-CG1 3.31Å; Y572-V970 WeakPolarHBondContact O-CG1 3.33Å; T577-V970 HydrophobicContact CG2-CG2 3.98Å; L967-V970 WeakPolarHBondContact O-CB 3.03Å; L967-V970 PolarHBondContact O-N 3.44Å; L967-V970 VanDerWaalsContact O-N 3.13Å; A968-V970 VanDerWaalsContact C-N 3.31Å; A968-V970 PolarHBondContact O-N 3.45Å; V970-R973 PolarHBondContact O-N 2.85Å; V970-K974 PolarHBondContact O-N 3.04Å
971	F	82.8	Confident	78.6	Confident	134 Å²	134	59.1 Å²	59.1	59%	0.588	31%	0.313	S	S	*	.	H	α-helix	trans	-68.9	-46.1	175.1	-171.9	-102.3	0	0	0	112.7	L967 A968 L969 R973 K974 L975	L967-F971 PolarHBondContact O-N 3.11Å; A968-F971 PolarHBondContact O-N 3.24Å; L969-F971 VanDerWaalsContact C-N 3.29Å; F971-R973 PolarHBondContact O-N 2.91Å; F971-K974 CarbonylContact O-C 3.59Å; F971-K974 PolarHBondContact O-N 3.13Å; F971-L975 HydrophobicContact CD1-CD1 3.97Å; F971-L975 HydrophobicContact CD1-CG 4.28Å; F971-L975 HydrophobicContact CE1-CD1 3.7Å; F971-L975 HydrophobicContact CE1-CD2 4.26Å; F971-L975 HydrophobicContact CE1-CG 4Å; F971-L975 HydrophobicContact CZ-CD2 4.33Å; F971-L975 HydrophobicContact CZ-CG 4.45Å; F971-L975 PolarHBondContact O-N 3.31Å
972	I	83.6	Confident	78.2	Confident	50 Å²	50	63.6 Å²	63.6	26%	0.256	33%	0.329	S	S	.	.	H	α-helix	trans	-57.2	-39.1	172.4	-68	164.3	0	0	0	110.3	A968 L969 L975 L976	A968-I972 WeakPolarHBondContact O-CG1 3.47Å; A968-I972 PolarHBondContact O-N 3.42Å; L969-I972 PolarHBondContact O-N 3.46Å; I972-L975 WeakPolarHBondContact O-CB 3.39Å; I972-L975 PolarHBondContact O-N 2.89Å; I972-L976 PolarHBondContact O-N 3.46Å
973	R	83	Confident	77.9	Confident	18 Å²	18	67.5 Å²	67.5	7%	0.068	34%	0.343	C	S	.	.	H	α-helix	trans	-65	-39.1	175.9	-177.9	54.4	-169	72.8	18.7	112	T574 F576 T577 L969 V970 F971 L975 L976 D977 L985 D989	T574-R973 HydrophobicContact CG2-CG 4.35Å; F576-R973 HydrophobicContact CB-CG 4.22Å; F576-R973 HydrophobicContact CD1-CB 3.84Å; F576-R973 HydrophobicContact CD1-CG 4Å; F576-R973 HydrophobicContact CE1-CB 4.21Å; F576-R973 HydrophobicContact CG-CG 4.33Å; T577-R973 HydrophobicContact CG2-CB 4.32Å; L969-R973 WeakPolarHBondContact O-CB 3.32Å; L969-R973 PolarHBondContact O-N 2.81Å; V970-R973 PolarHBondContact O-N 2.85Å; F971-R973 PolarHBondContact O-N 2.91Å; R973-L975 VanDerWaalsContact C-N 3.33Å; R973-L976 WeakPolarHBondContact O-CB 3.33Å; R973-L976 PolarHBondContact O-N 3.41Å; R973-D977 IonicContact CZ-OD1 2.67Å; R973-D977 IonicContact NH1-OD1 3.41Å; R973-D977 PolarHBondContact NH1-OD1 2.89Å; R973-L985 VanDerWaalsContact NH2-CD2 3.33Å; R973-L985 VanDerWaalsContact NH2-CG 3.27Å; R973-D989 IonicContact CZ-OD2 2.7Å; R973-D989 IonicContact NE-OD1 3.72Å; R973-D989 IonicContact NE-OD2 2.76Å; R973-D989 PolarHBondContact NE-OD2 3.47Å; R973-D989 IonicContact NH2-OD2 3.9Å; R973-D989 PolarHBondContact NH2-OD2 3.23Å
974	K	79.4	Confident	78	Confident	141 Å²	141	68.5 Å²	68.5	61%	0.613	35%	0.348	S	S	*	.	H	α-helix	trans	-69.4	-28	173.1	-161.6	162.9	-172	165.7	0	113.2	V970 F971 D977	V970-K974 PolarHBondContact O-N 3.04Å; F971-K974 CarbonylContact O-C 3.59Å; F971-K974 PolarHBondContact O-N 3.13Å; K974-D977 WeakPolarHBondContact O-CB 3.36Å; K974-D977 PolarHBondContact O-N 3.19Å
975	L	82.1	Confident	77.5	Confident	82 Å²	82	64.3 Å²	64.3	43%	0.429	33%	0.327	S	S	.	.	H	α-helix	trans	-69.7	-29.7	170.7	-68.7	175.3	0	0	0	112.8	F971 I972 R973 D977 L978	F971-L975 HydrophobicContact CD1-CD1 3.97Å; F971-L975 HydrophobicContact CD1-CG 4.28Å; F971-L975 HydrophobicContact CE1-CD1 3.7Å; F971-L975 HydrophobicContact CE1-CD2 4.26Å; F971-L975 HydrophobicContact CE1-CG 4Å; F971-L975 HydrophobicContact CZ-CD2 4.33Å; F971-L975 HydrophobicContact CZ-CG 4.45Å; F971-L975 PolarHBondContact O-N 3.31Å; I972-L975 WeakPolarHBondContact O-CB 3.39Å; I972-L975 PolarHBondContact O-N 2.89Å; R973-L975 VanDerWaalsContact C-N 3.33Å; L975-D977 PolarHBondContact O-N 3.09Å; L975-L978 HydrophobicContact CD2-CD1 4.2Å; L975-L978 WeakPolarHBondContact O-CB 3.35Å; L975-L978 PolarHBondContact O-N 3.07Å
976	L	80.6	Confident	77	Confident	11 Å²	11	63.1 Å²	63.1	6%	0.058	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-62	-20.9	174.7	-82.9	160	0	0	0	113.2	F576 T942 I972 R973 L978 C979 F980	F576-L976 HydrophobicContact CE2-CD1 4.08Å; F576-L976 HydrophobicContact CZ-CD1 3.98Å; T942-L976 HydrophobicContact CG2-CD1 4.11Å; T942-L976 HydrophobicContact CG2-CD2 4.25Å; T942-L976 HydrophobicContact CG2-CG 4.48Å; I972-L976 PolarHBondContact O-N 3.46Å; R973-L976 WeakPolarHBondContact O-CB 3.33Å; R973-L976 PolarHBondContact O-N 3.41Å; L976-L978 PolarHBondContact O-N 2.88Å; L976-L978 VanDerWaalsContact O-N 3.17Å; L976-C979 PolarHBondContact O-N 3.48Å; L976-F980 HydrophobicContact CD2-CD2 3.81Å; L976-F980 HydrophobicContact CD2-CE2 3.51Å; L976-F980 PolarHBondContact O-N 2.95Å
977	D	76.9	Confident	76.7	Confident	78 Å²	78	63.7 Å²	63.7	42%	0.417	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-63.9	-15.5	173.4	-59.2	-6.2	0	0	0	112.8	R973 K974 L975 L985	R973-D977 IonicContact CZ-OD1 2.67Å; R973-D977 IonicContact NH1-OD1 3.41Å; R973-D977 PolarHBondContact NH1-OD1 2.89Å; K974-D977 WeakPolarHBondContact O-CB 3.36Å; K974-D977 PolarHBondContact O-N 3.19Å; L975-D977 PolarHBondContact O-N 3.09Å; D977-L985 WeakPolarHBondContact OD1-CD2 3.33Å
978	L	78.4	Confident	76.4	Confident	147 Å²	147	60 Å²	60	77%	0.77	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-81.3	-23.6	173.3	-61.9	170.5	0	0	0	113.1	L975 L976	L975-L978 HydrophobicContact CD2-CD1 4.2Å; L975-L978 WeakPolarHBondContact O-CB 3.35Å; L975-L978 PolarHBondContact O-N 3.07Å; L976-L978 PolarHBondContact O-N 2.88Å; L976-L978 VanDerWaalsContact O-N 3.17Å
979	C	77.5	Confident	75.6	Confident	93 Å²	93	58.9 Å²	58.9	63%	0.628	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-18.6	-173.9	-61.9	0	0	0	0	113.7	L976	L976-C979 PolarHBondContact O-N 3.48Å
980	F	78.4	Confident	74.4	Confident	13 Å²	13	62.1 Å²	62.1	6%	0.057	31%	0.312	C	S	.	.	S	Bend	trans	-123.9	144.8	-175	-72.1	-96.3	0	0	0	111	K935 L938 F939 L976 L985	K935-F980 HydrophobicContact CB-CE1 4.04Å; K935-F980 HydrophobicContact CG-CE1 4.46Å; L938-F980 HydrophobicContact CB-CZ 4.4Å; L938-F980 HydrophobicContact CD2-CE2 4.44Å; L938-F980 HydrophobicContact CD2-CZ 4.08Å; L938-F980 HydrophobicContact CG-CZ 4.22Å; F939-F980 HydrophobicContact CB-CE1 4.22Å; F939-F980 HydrophobicContact CB-CZ 3.92Å; F939-F980 HydrophobicContact CD2-CZ 4.46Å; L976-F980 HydrophobicContact CD2-CD2 3.81Å; L976-F980 HydrophobicContact CD2-CE2 3.51Å; L976-F980 PolarHBondContact O-N 2.95Å; F980-L985 HydrophobicContact CB-CB 4.5Å; F980-L985 HydrophobicContact CB-CD1 3.93Å; F980-L985 HydrophobicContact CG-CD1 4.39Å
981	S	74.4	Confident	72.9	Confident	69 Å²	69	64.1 Å²	64.1	48%	0.483	32%	0.321	S	S	.	.			trans	-68.6	140.8	170.8	173.3	0	0	0	0	110.1	R983 E984 L985	S981-R983 PolarHBondContact O-N 2.68Å; S981-R983 PolarHBondContact OG-N 3.03Å; S981-E984 PolarHBondContact N-OE2 3.16Å; S981-E984 PolarHBondContact O-N 3.48Å; S981-L985 VanDerWaalsContact O-CB 3.31Å; S981-L985 WeakPolarHBondContact O-CB 3.45Å; S981-L985 PolarHBondContact O-N 3.04Å
982	K	69.1	Low	70.5	Confident	184 Å²	184	58.7 Å²	58.7	80%	0.8	30%	0.298	S	S	*	.	H	α-helix	trans	-47.6	-33.1	174.8	-67.8	-176.7	178.1	-179.9	0	112.8	S986	K982-S986 WeakPolarHBondContact O-CB 3.44Å; K982-S986 PolarHBondContact O-N 3.06Å
983	R	67.9	Low	68.2	Low	91 Å²	91	58.3 Å²	58.3	34%	0.343	30%	0.299	S	S	.	.	H	α-helix	trans	-69.4	-50.8	177.4	-174.6	175	-175.1	-172.3	4	112.9	S981 L985 S986 Y987 D1001 S1004	S981-R983 PolarHBondContact O-N 2.68Å; S981-R983 PolarHBondContact OG-N 3.03Å; R983-L985 VanDerWaalsContact C-N 3.25Å; R983-L985 PolarHBondContact O-N 3.17Å; R983-S986 PolarHBondContact O-N 3.2Å; R983-Y987 HydrophobicContact CG-CD2 4.3Å; R983-Y987 HydrophobicContact CG-CE2 3.67Å; R983-Y987 PolarHBondContact NE-OH 3.4Å; R983-Y987 PolarHBondContact NH2-OH 3.03Å; R983-Y987 VanDerWaalsContact NH2-OH 3.13Å; R983-Y987 WeakPolarHBondContact O-CD2 3.28Å; R983-Y987 PolarHBondContact O-N 2.74Å; R983-D1001 IonicContact NH2-OD1 2.78Å; R983-S1004 VanDerWaalsContact NH2-CB 3.29Å; R983-S1004 PolarHBondContact NH2-OG 3.39Å
984	E	72.4	Confident	65.9	Low	29 Å²	29	61 Å²	61	14%	0.136	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-41.4	179.1	-61.1	177.1	134.4	0	0	111.1	V931 K935 S981 Y987 L988	V931-E984 HydrophobicContact CG1-CB 4.48Å; V931-E984 HydrophobicContact CG2-CB 4.17Å; K935-E984 WeakPolarHBondContact CD-OE1 3.39Å; K935-E984 WeakPolarHBondContact CE-OE1 3.42Å; K935-E984 IonicContact NZ-OE1 3.21Å; K935-E984 PolarHBondContact NZ-OE1 3.07Å; K935-E984 IonicContact NZ-OE2 3.71Å; K935-E984 PolarHBondContact NZ-OE2 3.2Å; S981-E984 PolarHBondContact N-OE2 3.16Å; S981-E984 PolarHBondContact O-N 3.48Å; E984-Y987 PolarHBondContact O-N 3.25Å; E984-L988 WeakPolarHBondContact O-CG 3.44Å; E984-L988 PolarHBondContact O-N 3.01Å
985	L	70.6	Confident	63.8	Low	12 Å²	12	60.5 Å²	60.5	6%	0.063	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-42.4	179.3	-163.6	80.5	0	0	0	112.1	R973 D977 F980 S981 R983 Y987 L988 D989	R973-L985 VanDerWaalsContact NH2-CD2 3.33Å; R973-L985 VanDerWaalsContact NH2-CG 3.27Å; D977-L985 WeakPolarHBondContact OD1-CD2 3.33Å; F980-L985 HydrophobicContact CB-CB 4.5Å; F980-L985 HydrophobicContact CB-CD1 3.93Å; F980-L985 HydrophobicContact CG-CD1 4.39Å; S981-L985 VanDerWaalsContact O-CB 3.31Å; S981-L985 WeakPolarHBondContact O-CB 3.45Å; S981-L985 PolarHBondContact O-N 3.04Å; R983-L985 VanDerWaalsContact C-N 3.25Å; R983-L985 PolarHBondContact O-N 3.17Å; L985-Y987 VanDerWaalsContact C-N 3.35Å; L985-Y987 PolarHBondContact O-N 3.09Å; L985-L988 PolarHBondContact O-N 3.4Å; L985-D989 PolarHBondContact O-N 3.43Å
986	S	66.8	Low	61.5	Low	20 Å²	20	59.7 Å²	59.7	14%	0.14	30%	0.3	C	S	.	.	H	α-helix	trans	-64.8	-35.6	175.9	-165.4	0	0	0	0	112	K982 R983 L988 D990 M992	K982-S986 WeakPolarHBondContact O-CB 3.44Å; K982-S986 PolarHBondContact O-N 3.06Å; R983-S986 PolarHBondContact O-N 3.2Å; S986-L988 VanDerWaalsContact C-N 3.25Å; S986-L988 PolarHBondContact O-N 3.17Å; S986-D990 WeakPolarHBondContact O-CA 3.46Å; S986-D990 WeakPolarHBondContact O-CB 3.33Å; S986-D990 PolarHBondContact O-N 3.08Å; S986-D990 PolarHBondContact OG-OD2 3.42Å; S986-M992 PolarHBondContact OG-SD 3.25Å
987	Y	68.8	Low	59.7	Low	16 Å²	16	60.8 Å²	60.8	6%	0.063	30%	0.304	C	S	.	.	H	α-helix	trans	-69.2	-17.9	171.9	-63.7	-66.4	0	0	0	114.3	H930 V931 R983 E984 L985 M992 K997 D1001	H930-Y987 HydrophobicContact CB-CD2 3.83Å; H930-Y987 HydrophobicContact CB-CE1 4.35Å; H930-Y987 HydrophobicContact CB-CE2 3.61Å; H930-Y987 HydrophobicContact CB-CG 4.29Å; H930-Y987 AromaticContact CG-CZ 3.78Å; H930-Y987 AromaticContact ND1-CZ 3.73Å; H930-Y987 PolarHBondContact ND1-OH 3.31Å; V931-Y987 HydrophobicContact CG2-CD2 4.27Å; R983-Y987 HydrophobicContact CG-CD2 4.3Å; R983-Y987 HydrophobicContact CG-CE2 3.67Å; R983-Y987 PolarHBondContact NE-OH 3.4Å; R983-Y987 PolarHBondContact NH2-OH 3.03Å; R983-Y987 VanDerWaalsContact NH2-OH 3.13Å; R983-Y987 WeakPolarHBondContact O-CD2 3.28Å; R983-Y987 PolarHBondContact O-N 2.74Å; E984-Y987 PolarHBondContact O-N 3.25Å; L985-Y987 VanDerWaalsContact C-N 3.35Å; L985-Y987 PolarHBondContact O-N 3.09Å; Y987-M992 HydrophobicContact CE1-CE 4.11Å; Y987-K997 HydrophobicContact CE1-CD 4.49Å; Y987-K997 HydrophobicContact CE1-CG 4.28Å; Y987-D1001 PolarHBondContact OH-OD1 2.63Å
988	L	71.4	Confident	57.9	Low	1 Å²	1	59.2 Å²	59.2	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-98.4	-28.5	-179.5	-71.5	171.6	0	0	0	113.8	R911 Y927 V931 V936 F939 E984 L985 S986	R911-L988 PolarHBondContact NH1-O 3.35Å; R911-L988 VanDerWaalsContact NH1-O 3.13Å; R911-L988 PolarHBondContact NH2-O 3.32Å; Y927-L988 HydrophobicContact CD2-CD2 4.5Å; V931-L988 HydrophobicContact CG1-CD1 4.43Å; V936-L988 HydrophobicContact CG1-CD2 4.48Å; V936-L988 HydrophobicContact CG2-CD2 4.43Å; F939-L988 HydrophobicContact CB-CD1 4.25Å; F939-L988 HydrophobicContact CD2-CD1 3.89Å; F939-L988 HydrophobicContact CE2-CB 4.29Å; F939-L988 HydrophobicContact CE2-CD1 4.36Å; F939-L988 HydrophobicContact CG-CD1 4.01Å; F939-L988 HydrophobicContact CZ-CB 4.3Å; E984-L988 WeakPolarHBondContact O-CG 3.44Å; E984-L988 PolarHBondContact O-N 3.01Å; L985-L988 PolarHBondContact O-N 3.4Å; S986-L988 VanDerWaalsContact C-N 3.25Å; S986-L988 PolarHBondContact O-N 3.17Å
989	D	66.3	Low	56.1	Low	9 Å²	9	56.9 Å²	56.9	5%	0.048	28%	0.282	C	S	.	.	H	α-helix	trans	-109.1	-44.9	-178.6	-96.3	29.2	0	0	0	113.2	T574 R575 F939 R973 L985	T574-D989 VanDerWaalsContact CB-OD2 3.27Å; T574-D989 WeakPolarHBondContact CB-OD2 3.43Å; T574-D989 PolarHBondContact OG1-OD2 3.18Å; R575-D989 WeakPolarHBondContact CB-O 3.41Å; R575-D989 WeakPolarHBondContact CD-O 3.46Å; F939-D989 WeakPolarHBondContact CZ-OD1 3.31Å; R973-D989 IonicContact CZ-OD2 2.7Å; R973-D989 IonicContact NE-OD1 3.72Å; R973-D989 IonicContact NE-OD2 2.76Å; R973-D989 PolarHBondContact NE-OD2 3.47Å; R973-D989 IonicContact NH2-OD2 3.9Å; R973-D989 PolarHBondContact NH2-OD2 3.23Å; L985-D989 PolarHBondContact O-N 3.43Å
990	D	54.3	Low	54.5	Low	72 Å²	72	56.2 Å²	56.2	39%	0.385	27%	0.272	S	S	.	.			trans	-83.8	132.6	-177.2	-75.5	-52.7	0	0	0	111.4	S986 M992	S986-D990 WeakPolarHBondContact O-CA 3.46Å; S986-D990 WeakPolarHBondContact O-CB 3.33Å; S986-D990 PolarHBondContact O-N 3.08Å; S986-D990 PolarHBondContact OG-OD2 3.42Å; D990-M992 HydrophobicContact CB-CG 4.21Å; D990-M992 PolarHBondContact O-N 3.27Å
991	L	46.3	Very low	52.8	Low	76 Å²	76	57 Å²	57	40%	0.398	28%	0.277	S	S	.	.			trans	-73.2	81.1	144	-70.4	159.7	0	0	0	107.5	R575 E796 P993	R575-L991 VanDerWaalsContact NH1-CG 3.26Å; E796-L991 HydrophobicContact CG-CD1 3.35Å; E796-L991 HydrophobicContact CG-CD2 4.5Å; E796-L991 WeakPolarHBondContact OE1-CD1 3.45Å; L991-P993 WeakPolarHBondContact O-CD 3.44Å; L991-P993 VanDerWaalsContact O-N 3.11Å
992	M	31.3	Very low	51.5	Low	20 Å²	20	56.6 Å²	56.6	10%	0.099	27%	0.269	C	S	.	.			trans	-52	118.2	155.9	-82	160.4	53.3	0	0	106.7	S986 Y987 D990 E994 K997 L1000	S986-M992 PolarHBondContact OG-SD 3.25Å; Y987-M992 HydrophobicContact CE1-CE 4.11Å; D990-M992 HydrophobicContact CB-CG 4.21Å; D990-M992 PolarHBondContact O-N 3.27Å; M992-E994 PolarHBondContact O-N 3.46Å; M992-K997 HydrophobicContact CB-CB 4.22Å; M992-K997 HydrophobicContact CE-CB 3.9Å; M992-K997 HydrophobicContact CE-CG 4.07Å; M992-L1000 HydrophobicContact CE-CB 4.11Å; M992-L1000 HydrophobicContact CE-CD1 3.54Å; M992-L1000 HydrophobicContact CE-CG 4.47Å; M992-L1000 HydrophobicContact SD-CD1 4.11Å
993	P	37.2	Very low	50.4	Low	42 Å²	42	50.1 Å²	50.1	27%	0.273	25%	0.25	S	C	.	.			trans	-52.6	145.5	168.2	-24.1	35.1	0	0	0	108.5	L991 W995 K996 K997	L991-P993 WeakPolarHBondContact O-CD 3.44Å; L991-P993 VanDerWaalsContact O-N 3.11Å; P993-W995 VanDerWaalsContact CB-CD1 3.46Å; P993-W995 HydrophobicContact CB-CD2 4.24Å; P993-W995 HydrophobicContact CB-CG 4.09Å; P993-W995 HydrophobicContact CB-CZ2 4.4Å; P993-W995 HydrophobicContact CG-CZ2 4.24Å; P993-W995 CarbonylContact O-C 3.37Å; P993-W995 PolarHBondContact O-N 3.05Å; P993-K996 WeakPolarHBondContact O-CA 3.41Å; P993-K996 PolarHBondContact O-N 2.88Å; P993-K997 PolarHBondContact O-N 3.39Å
994	E	32.9	Very low	49.3	Very low	76 Å²	76	46.6 Å²	46.6	36%	0.355	24%	0.239	S	C	.	.	H	α-helix	trans	-55.9	-29.1	-171.7	-61.3	174	165.4	0	0	112.6	Q56 H58 M992 K998	Q56-E994 PolarHBondContact NE2-OE1 2.96Å; Q56-E994 PolarHBondContact NE2-OE2 3.3Å; Q56-E994 VanDerWaalsContact OE1-CD 3.28Å; Q56-E994 PolarHBondContact OE1-OE1 3.31Å; Q56-E994 PolarHBondContact OE1-OE2 3.19Å; H58-E994 IonicContact CD2-OE2 2.61Å; H58-E994 IonicContact NE2-OE2 3.65Å; H58-E994 PolarHBondContact NE2-OE2 2.72Å; M992-E994 PolarHBondContact O-N 3.46Å; E994-K998 PolarHBondContact O-N 2.64Å
995	W	35.5	Very low	48.2	Very low	130 Å²	130	50.8 Å²	50.8	49%	0.492	26%	0.256	S	S	.	.	H	α-helix	trans	-64.6	-46.4	170.6	61.9	-99.4	0	0	0	113.6	P993 K997 K998 N999	P993-W995 VanDerWaalsContact CB-CD1 3.46Å; P993-W995 HydrophobicContact CB-CD2 4.24Å; P993-W995 HydrophobicContact CB-CG 4.09Å; P993-W995 HydrophobicContact CB-CZ2 4.4Å; P993-W995 HydrophobicContact CG-CZ2 4.24Å; P993-W995 CarbonylContact O-C 3.37Å; P993-W995 PolarHBondContact O-N 3.05Å; W995-K997 VanDerWaalsContact C-N 3.28Å; W995-K997 PolarHBondContact O-N 2.92Å; W995-K998 PolarHBondContact O-N 2.83Å; W995-N999 VanDerWaalsContact O-CG 3.31Å; W995-N999 PolarHBondContact O-N 3.38Å; W995-N999 PolarHBondContact O-OD1 2.99Å; W995-N999 VanDerWaalsContact O-OD1 3.12Å
996	K	35.4	Very low	47.2	Very low	64 Å²	64	56.4 Å²	56.4	28%	0.278	28%	0.281	S	S	.	.	H	α-helix	trans	-69.7	-29.9	179	-146.3	174.4	-169.1	179.2	0	111.5	H424 P993 L1000	H424-K996 PolarHBondContact CE1-NZ 3.05Å; H424-K996 PolarHBondContact NE2-NZ 3.08Å; P993-K996 WeakPolarHBondContact O-CA 3.41Å; P993-K996 PolarHBondContact O-N 2.88Å; K996-L1000 PolarHBondContact O-N 3.3Å
997	K	41.8	Very low	46.4	Very low	35 Å²	35	60.8 Å²	60.8	15%	0.152	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-46.1	170.3	-169.3	164.9	-173.2	156.8	0	112.5	Y987 M992 P993 W995 N999 L1000 D1001	Y987-K997 HydrophobicContact CE1-CD 4.49Å; Y987-K997 HydrophobicContact CE1-CG 4.28Å; M992-K997 HydrophobicContact CB-CB 4.22Å; M992-K997 HydrophobicContact CE-CB 3.9Å; M992-K997 HydrophobicContact CE-CG 4.07Å; P993-K997 PolarHBondContact O-N 3.39Å; W995-K997 VanDerWaalsContact C-N 3.28Å; W995-K997 PolarHBondContact O-N 2.92Å; K997-N999 PolarHBondContact O-N 3.47Å; K997-L1000 PolarHBondContact O-N 3.35Å; K997-D1001 WeakPolarHBondContact O-CB 3.46Å; K997-D1001 VanDerWaalsContact O-CG 3.31Å; K997-D1001 PolarHBondContact O-N 3.48Å
998	K	40	Very low	45.7	Very low	44 Å²	44	65.9 Å²	65.9	19%	0.191	33%	0.326	C	S	.	.	H	α-helix	trans	-63.8	-39.8	176	-154	170.5	-165.4	161.7	0	112.5	R55 Q56 E994 W995 L1000 D1001 D1002	R55-K998 PolarHBondContact O-NZ 3.35Å; Q56-K998 WeakPolarHBondContact O-CD 3.44Å; Q56-K998 WeakPolarHBondContact O-CE 3.43Å; Q56-K998 PolarHBondContact O-NZ 3.17Å; E994-K998 PolarHBondContact O-N 2.64Å; W995-K998 PolarHBondContact O-N 2.83Å; K998-L1000 PolarHBondContact O-N 2.96Å; K998-D1001 PolarHBondContact O-N 2.91Å; K998-D1002 VanDerWaalsContact O-CB 3.24Å; K998-D1002 WeakPolarHBondContact O-CB 3.32Å; K998-D1002 PolarHBondContact O-N 3.34Å
999	N	39.5	Very low	44.9	Very low	99 Å²	99	70.8 Å²	70.8	53%	0.529	35%	0.349	S	S	.	.	H	α-helix	trans	-63.2	-39.6	178.7	-65.8	4.7	0	0	0	113	W995 K997 A1003	W995-N999 VanDerWaalsContact O-CG 3.31Å; W995-N999 PolarHBondContact O-N 3.38Å; W995-N999 PolarHBondContact O-OD1 2.99Å; W995-N999 VanDerWaalsContact O-OD1 3.12Å; K997-N999 PolarHBondContact O-N 3.47Å; N999-A1003 VanDerWaalsContact O-CB 3.22Å; N999-A1003 WeakPolarHBondContact O-CB 3.18Å; N999-A1003 PolarHBondContact O-N 3.41Å
1000	L	43.9	Very low	44.3	Very low	79 Å²	79	75.2 Å²	75.2	41%	0.414	37%	0.369	S	S	.	.	H	α-helix	trans	-73.5	-35.5	176	-93.1	154	0	0	0	113	M992 K996 K997 K998 S1004	M992-L1000 HydrophobicContact CE-CB 4.11Å; M992-L1000 HydrophobicContact CE-CD1 3.54Å; M992-L1000 HydrophobicContact CE-CG 4.47Å; M992-L1000 HydrophobicContact SD-CD1 4.11Å; K996-L1000 PolarHBondContact O-N 3.3Å; K997-L1000 PolarHBondContact O-N 3.35Å; K998-L1000 PolarHBondContact O-N 2.96Å; L1000-S1004 WeakPolarHBondContact O-CB 3.38Å; L1000-S1004 PolarHBondContact O-N 3.2Å; L1000-S1004 VanDerWaalsContact O-N 3.07Å; L1000-S1004 PolarHBondContact O-OG 3.49Å
1001	D	43.8	Very low	44.2	Very low	30 Å²	30	74.6 Å²	74.6	16%	0.16	37%	0.37	C	S	.	.	H	α-helix	trans	-69.7	-46.2	175	-70.7	-12.7	0	0	0	111.1	H930 R983 Y987 K997 K998 S1004 K1005	H930-D1001 IonicContact CE1-OD1 3.78Å; H930-D1001 PolarHBondContact CE1-OD1 2.91Å; H930-D1001 VanDerWaalsContact CE1-OD1 3.25Å; H930-D1001 IonicContact CE1-OD2 3.87Å; H930-D1001 PolarHBondContact CE1-OD2 3.02Å; H930-D1001 VanDerWaalsContact CE1-OD2 3.3Å; H930-D1001 IonicContact ND1-OD1 3.88Å; H930-D1001 IonicContact NE2-OD2 2.78Å; R983-D1001 IonicContact NH2-OD1 2.78Å; Y987-D1001 PolarHBondContact OH-OD1 2.63Å; K997-D1001 WeakPolarHBondContact O-CB 3.46Å; K997-D1001 VanDerWaalsContact O-CG 3.31Å; K997-D1001 PolarHBondContact O-N 3.48Å; K998-D1001 PolarHBondContact O-N 2.91Å; D1001-S1004 WeakPolarHBondContact CA-OG 3.48Å; D1001-S1004 PolarHBondContact O-N 3.47Å; D1001-S1004 PolarHBondContact O-OG 2.86Å; D1001-K1005 PolarHBondContact O-N 3.32Å
1002	D	45.2	Very low	44.5	Very low	60 Å²	60	77.5 Å²	77.5	32%	0.321	38%	0.382	S	S	.	.	H	α-helix	trans	-64.1	-39.1	177.3	-70.1	-8.9	0	0	0	111.1	K402 K998 K1005 K1006	K402-D1002 IonicContact NZ-OD2 2.62Å; K998-D1002 VanDerWaalsContact O-CB 3.24Å; K998-D1002 WeakPolarHBondContact O-CB 3.32Å; K998-D1002 PolarHBondContact O-N 3.34Å; D1002-K1005 PolarHBondContact O-N 2.96Å; D1002-K1006 WeakPolarHBondContact O-CG 3.36Å; D1002-K1006 PolarHBondContact O-N 2.9Å; D1002-K1006 VanDerWaalsContact O-N 3.07Å
1003	A	48	Very low	45.5	Very low	48 Å²	48	82.4 Å²	82.4	40%	0.397	41%	0.405	S	S	.	.	H	α-helix	trans	-65.1	-37.5	172.5	0	0	0	0	0	112.6	N999 K1006 L1007	N999-A1003 VanDerWaalsContact O-CB 3.22Å; N999-A1003 WeakPolarHBondContact O-CB 3.18Å; N999-A1003 PolarHBondContact O-N 3.41Å; A1003-K1006 PolarHBondContact O-N 3.31Å; A1003-L1007 PolarHBondContact O-N 3.41Å
1004	S	43.9	Very low	46.3	Very low	16 Å²	16	85.7 Å²	85.7	11%	0.112	42%	0.418	C	S	.	.	H	α-helix	trans	-72.6	-33.1	177	66.3	0	0	0	0	113.7	R983 L1000 D1001 L1007 E1008	R983-S1004 VanDerWaalsContact NH2-CB 3.29Å; R983-S1004 PolarHBondContact NH2-OG 3.39Å; L1000-S1004 WeakPolarHBondContact O-CB 3.38Å; L1000-S1004 PolarHBondContact O-N 3.2Å; L1000-S1004 VanDerWaalsContact O-N 3.07Å; L1000-S1004 PolarHBondContact O-OG 3.49Å; D1001-S1004 WeakPolarHBondContact CA-OG 3.48Å; D1001-S1004 PolarHBondContact O-N 3.47Å; D1001-S1004 PolarHBondContact O-OG 2.86Å; S1004-L1007 PolarHBondContact O-N 3.11Å; S1004-E1008 WeakPolarHBondContact O-CG 3.47Å; S1004-E1008 PolarHBondContact O-N 3.05Å
1005	K	48.1	Very low	47.3	Very low	117 Å²	117	87.4 Å²	87.4	51%	0.509	43%	0.429	S	S	.	.	H	α-helix	trans	-64.4	-43.9	171.9	-78.3	-175.7	163.1	-151.6	0	111.4	D1001 D1002 L1007 E1008 E1009	D1001-K1005 PolarHBondContact O-N 3.32Å; D1002-K1005 PolarHBondContact O-N 2.96Å; K1005-L1007 VanDerWaalsContact C-N 3.3Å; K1005-L1007 PolarHBondContact O-N 3.12Å; K1005-E1008 CarbonylContact O-C 3.58Å; K1005-E1008 PolarHBondContact O-N 2.94Å; K1005-E1008 VanDerWaalsContact O-N 3.1Å; K1005-E1009 WeakPolarHBondContact O-CB 3.44Å; K1005-E1009 VanDerWaalsContact O-CG 3.27Å; K1005-E1009 WeakPolarHBondContact O-CG 3.43Å; K1005-E1009 PolarHBondContact O-N 3.46Å
1006	K	49.9	Very low	47.8	Very low	131 Å²	131	83.9 Å²	83.9	57%	0.57	42%	0.424	S	S	*	.	H	α-helix	trans	-58.7	-41	172.8	-73.9	-175.6	173.3	-164.2	0	112.5	D1002 A1003 E1009 E1010	D1002-K1006 WeakPolarHBondContact O-CG 3.36Å; D1002-K1006 PolarHBondContact O-N 2.9Å; D1002-K1006 VanDerWaalsContact O-N 3.07Å; A1003-K1006 PolarHBondContact O-N 3.31Å; K1006-E1009 PolarHBondContact O-N 3.14Å; K1006-E1010 VanDerWaalsContact O-CB 3.22Å; K1006-E1010 WeakPolarHBondContact O-CB 3.13Å; K1006-E1010 WeakPolarHBondContact O-CG 3.37Å; K1006-E1010 PolarHBondContact O-N 3.31Å
1007	L	51	Low	48.5	Very low	112 Å²	112	86.1 Å²	86.1	59%	0.586	44%	0.438	S	S	*	.	H	α-helix	trans	-68	-32.4	174.3	-76.4	164.5	0	0	0	113.4	A1003 S1004 K1005 S1011	A1003-L1007 PolarHBondContact O-N 3.41Å; S1004-L1007 PolarHBondContact O-N 3.11Å; K1005-L1007 VanDerWaalsContact C-N 3.3Å; K1005-L1007 PolarHBondContact O-N 3.12Å; L1007-S1011 WeakPolarHBondContact O-CB 3.4Å; L1007-S1011 PolarHBondContact O-N 2.97Å
1008	E	52.9	Low	48.9	Very low	122 Å²	122	90.8 Å²	90.8	57%	0.57	46%	0.459	S	S	*	.	H	α-helix	trans	-72.2	-40.9	173.3	-76.3	171.7	-177.9	0	0	111.4	S1004 K1005 S1011 Q1012	S1004-E1008 WeakPolarHBondContact O-CG 3.47Å; S1004-E1008 PolarHBondContact O-N 3.05Å; K1005-E1008 CarbonylContact O-C 3.58Å; K1005-E1008 PolarHBondContact O-N 2.94Å; K1005-E1008 VanDerWaalsContact O-N 3.1Å; E1008-S1011 PolarHBondContact O-N 2.89Å; E1008-Q1012 WeakPolarHBondContact O-CB 3.45Å; E1008-Q1012 WeakPolarHBondContact O-CG 3.49Å; E1008-Q1012 PolarHBondContact O-N 3.12Å
1009	E	54.7	Low	49	Very low	104 Å²	104	97.8 Å²	97.8	49%	0.486	48%	0.484	S	S	.	.	H	α-helix	trans	-64.7	-51	174.3	-72.6	160.1	-172.7	0	0	110.8	K1005 K1006 S1011 Q1012 E1013	K1005-E1009 WeakPolarHBondContact O-CB 3.44Å; K1005-E1009 VanDerWaalsContact O-CG 3.27Å; K1005-E1009 WeakPolarHBondContact O-CG 3.43Å; K1005-E1009 PolarHBondContact O-N 3.46Å; K1006-E1009 PolarHBondContact O-N 3.14Å; E1009-S1011 VanDerWaalsContact C-N 3.29Å; E1009-S1011 PolarHBondContact O-N 3.43Å; E1009-Q1012 CarbonylContact O-C 3.51Å; E1009-Q1012 PolarHBondContact O-N 3.25Å; E1009-Q1012 VanDerWaalsContact O-N 3.11Å; E1009-E1013 PolarHBondContact O-N 3.32Å
1010	E	55	Low	49.3	Very low	103 Å²	103	98.1 Å²	98.1	48%	0.481	49%	0.486	S	S	.	.	H	α-helix	trans	-60.1	-35.5	174	-75.2	171.1	-174.7	0	0	112.3	K1006 M1014	K1006-E1010 VanDerWaalsContact O-CB 3.22Å; K1006-E1010 WeakPolarHBondContact O-CB 3.13Å; K1006-E1010 WeakPolarHBondContact O-CG 3.37Å; K1006-E1010 PolarHBondContact O-N 3.31Å; E1010-M1014 WeakPolarHBondContact O-CB 3.18Å; E1010-M1014 PolarHBondContact O-N 3.07Å
1011	S	52.7	Low	49.4	Very low	58 Å²	58	100.9 Å²	100.9	41%	0.406	50%	0.497	S	S	.	.	H	α-helix	trans	-72.5	-36.6	174.9	-174.3	0	0	0	0	112	L1007 E1008 E1009 L1015	L1007-S1011 WeakPolarHBondContact O-CB 3.4Å; L1007-S1011 PolarHBondContact O-N 2.97Å; E1008-S1011 PolarHBondContact O-N 2.89Å; E1009-S1011 VanDerWaalsContact C-N 3.29Å; E1009-S1011 PolarHBondContact O-N 3.43Å; S1011-L1015 WeakPolarHBondContact O-CB 3.48Å; S1011-L1015 WeakPolarHBondContact O-CD1 3.26Å; S1011-L1015 VanDerWaalsContact O-CG 3.29Å; S1011-L1015 WeakPolarHBondContact O-CG 3.47Å; S1011-L1015 PolarHBondContact O-N 2.76Å
1012	Q	51.6	Low	49.3	Very low	137 Å²	137	103.1 Å²	103.1	64%	0.64	51%	0.514	S	S	*	.	H	α-helix	trans	-68.7	-40.3	172.9	-79.8	-176.1	-39.8	0	0	111.9	E1008 E1009 L1015 S1016	E1008-Q1012 WeakPolarHBondContact O-CB 3.45Å; E1008-Q1012 WeakPolarHBondContact O-CG 3.49Å; E1008-Q1012 PolarHBondContact O-N 3.12Å; E1009-Q1012 CarbonylContact O-C 3.51Å; E1009-Q1012 PolarHBondContact O-N 3.25Å; E1009-Q1012 VanDerWaalsContact O-N 3.11Å; Q1012-L1015 CarbonylContact O-C 3.58Å; Q1012-L1015 PolarHBondContact O-N 2.87Å; Q1012-S1016 PolarHBondContact O-N 2.67Å; Q1012-S1016 PolarHBondContact O-OG 2.88Å
1013	E	53.2	Low	49.1	Very low	123 Å²	123	103.7 Å²	103.7	58%	0.575	53%	0.527	S	S	*	.	H	α-helix	trans	-65.1	-42.1	172.8	-74.6	-172.1	155.4	0	0	111.7	E1009 L1015 S1016 L1017	E1009-E1013 PolarHBondContact O-N 3.32Å; E1013-L1015 VanDerWaalsContact C-N 3.27Å; E1013-L1015 PolarHBondContact O-N 3.3Å; E1013-S1016 WeakPolarHBondContact CA-OG 3.48Å; E1013-S1016 PolarHBondContact O-N 3.41Å; E1013-S1016 PolarHBondContact O-OG 2.66Å; E1013-L1017 VanDerWaalsContact O-CB 3.27Å; E1013-L1017 WeakPolarHBondContact O-CB 3.39Å; E1013-L1017 WeakPolarHBondContact O-CD1 3.26Å; E1013-L1017 VanDerWaalsContact O-CG 3.24Å; E1013-L1017 WeakPolarHBondContact O-CG 3.38Å; E1013-L1017 PolarHBondContact O-N 3.48Å
1014	M	52.8	Low	48.7	Very low	112 Å²	112	105.6 Å²	105.6	55%	0.552	54%	0.543	S	S	*	.	H	α-helix	trans	-63.2	-32.5	171.1	-96.6	-162.7	-73.8	0	0	112.8	E1010 K1018	E1010-M1014 WeakPolarHBondContact O-CB 3.18Å; E1010-M1014 PolarHBondContact O-N 3.07Å; M1014-K1018 WeakPolarHBondContact O-CB 3.47Å; M1014-K1018 WeakPolarHBondContact O-CG 3.49Å; M1014-K1018 PolarHBondContact O-N 2.91Å
1015	L	54.8	Low	48.6	Very low	111 Å²	111	110.6 Å²	110.6	58%	0.581	57%	0.573	S	S	*	*	H	α-helix	trans	-74.9	-35.7	176.3	-82.4	163.7	0	0	0	112.3	S1011 Q1012 E1013 R1019	S1011-L1015 WeakPolarHBondContact O-CB 3.48Å; S1011-L1015 WeakPolarHBondContact O-CD1 3.26Å; S1011-L1015 VanDerWaalsContact O-CG 3.29Å; S1011-L1015 WeakPolarHBondContact O-CG 3.47Å; S1011-L1015 PolarHBondContact O-N 2.76Å; Q1012-L1015 CarbonylContact O-C 3.58Å; Q1012-L1015 PolarHBondContact O-N 2.87Å; E1013-L1015 VanDerWaalsContact C-N 3.27Å; E1013-L1015 PolarHBondContact O-N 3.3Å; L1015-R1019 WeakPolarHBondContact O-CB 3.41Å; L1015-R1019 PolarHBondContact O-N 3.14Å; L1015-R1019 VanDerWaalsContact O-N 3.13Å
1016	S	45.6	Very low	47.9	Very low	57 Å²	57	113 Å²	113	40%	0.399	59%	0.586	S	S	.	*	H	α-helix	trans	-71.8	-44.9	172.8	58.8	0	0	0	0	111.5	Q1012 E1013 K1018 R1019 D1020	Q1012-S1016 PolarHBondContact O-N 2.67Å; Q1012-S1016 PolarHBondContact O-OG 2.88Å; E1013-S1016 WeakPolarHBondContact CA-OG 3.48Å; E1013-S1016 PolarHBondContact O-N 3.41Å; E1013-S1016 PolarHBondContact O-OG 2.66Å; S1016-K1018 VanDerWaalsContact C-N 3.34Å; S1016-K1018 PolarHBondContact O-N 3.07Å; S1016-R1019 CarbonylContact O-C 3.55Å; S1016-R1019 WeakPolarHBondContact O-CA 3.48Å; S1016-R1019 VanDerWaalsContact O-CB 3.28Å; S1016-R1019 WeakPolarHBondContact O-CB 3.32Å; S1016-R1019 PolarHBondContact O-N 3.33Å; S1016-D1020 PolarHBondContact O-N 3.41Å
1017	L	50	Low	47.2	Very low	110 Å²	110	114.2 Å²	114.2	58%	0.576	60%	0.597	S	S	*	*	H	α-helix	trans	-57.5	-44	175	-74.8	165.4	0	0	0	112	E1013 R1019 D1020 E1021	E1013-L1017 VanDerWaalsContact O-CB 3.27Å; E1013-L1017 WeakPolarHBondContact O-CB 3.39Å; E1013-L1017 WeakPolarHBondContact O-CD1 3.26Å; E1013-L1017 VanDerWaalsContact O-CG 3.24Å; E1013-L1017 WeakPolarHBondContact O-CG 3.38Å; E1013-L1017 PolarHBondContact O-N 3.48Å; L1017-R1019 VanDerWaalsContact C-N 3.28Å; L1017-R1019 PolarHBondContact O-N 3.02Å; L1017-D1020 PolarHBondContact O-N 3.02Å; L1017-E1021 WeakPolarHBondContact O-CG 3.44Å; L1017-E1021 PolarHBondContact O-N 3.14Å
1018	K	49.2	Very low	46.1	Very low	133 Å²	133	115.4 Å²	115.4	58%	0.578	61%	0.609	S	S	*	*	H	α-helix	trans	-64.5	-31.4	172.7	-82.8	177.5	174.1	171.4	0	113.5	M1014 S1016 S1022	M1014-K1018 WeakPolarHBondContact O-CB 3.47Å; M1014-K1018 WeakPolarHBondContact O-CG 3.49Å; M1014-K1018 PolarHBondContact O-N 2.91Å; S1016-K1018 VanDerWaalsContact C-N 3.34Å; S1016-K1018 PolarHBondContact O-N 3.07Å; K1018-S1022 WeakPolarHBondContact O-CB 3.44Å; K1018-S1022 PolarHBondContact O-N 2.85Å; K1018-S1022 PolarHBondContact O-OG 3.13Å
1019	R	42.6	Very low	45.1	Very low	191 Å²	191	118.4 Å²	118.4	72%	0.721	63%	0.625	S	S	*	*	H	α-helix	trans	-70.1	-41.7	176.8	-159.6	173.1	-167.5	165.2	2.1	110.6	L1015 S1016 L1017 S1022 A1023	L1015-R1019 WeakPolarHBondContact O-CB 3.41Å; L1015-R1019 PolarHBondContact O-N 3.14Å; L1015-R1019 VanDerWaalsContact O-N 3.13Å; S1016-R1019 CarbonylContact O-C 3.55Å; S1016-R1019 WeakPolarHBondContact O-CA 3.48Å; S1016-R1019 VanDerWaalsContact O-CB 3.28Å; S1016-R1019 WeakPolarHBondContact O-CB 3.32Å; S1016-R1019 PolarHBondContact O-N 3.33Å; L1017-R1019 VanDerWaalsContact C-N 3.28Å; L1017-R1019 PolarHBondContact O-N 3.02Å; R1019-S1022 WeakPolarHBondContact CA-OG 3.37Å; R1019-S1022 PolarHBondContact O-N 3.12Å; R1019-S1022 PolarHBondContact O-OG 2.85Å; R1019-A1023 PolarHBondContact O-N 3.38Å
1020	D	45.4	Very low	44	Very low	106 Å²	106	123.2 Å²	123.2	57%	0.567	65%	0.648	S	S	*	*	H	α-helix	trans	-70.3	-40.1	177.1	-64.7	-25.3	0	0	0	111.9	S1016 L1017 S1022 A1023 A1024	S1016-D1020 PolarHBondContact O-N 3.41Å; L1017-D1020 PolarHBondContact O-N 3.02Å; D1020-S1022 VanDerWaalsContact C-N 3.31Å; D1020-S1022 PolarHBondContact O-N 3.36Å; D1020-A1023 PolarHBondContact O-N 3.37Å; D1020-A1024 PolarHBondContact O-N 3.14Å
1021	E	46.1	Very low	42.8	Very low	138 Å²	138	121.4 Å²	121.4	65%	0.645	66%	0.657	S	S	*	*	H	α-helix	trans	-59.1	-40.9	169.4	-77.1	-171.6	144.1	0	0	111.8	L1017 A1023 A1024 V1025	L1017-E1021 WeakPolarHBondContact O-CG 3.44Å; L1017-E1021 PolarHBondContact O-N 3.14Å; E1021-A1023 VanDerWaalsContact C-N 3.32Å; E1021-A1023 PolarHBondContact O-N 3.03Å; E1021-A1024 PolarHBondContact O-N 3.11Å; E1021-V1025 WeakPolarHBondContact O-CG2 3.38Å
1022	S	42.6	Very low	41.7	Very low	76 Å²	76	124.5 Å²	124.5	53%	0.531	68%	0.678	S	S	.	*	H	α-helix	trans	-70.4	-25.7	177.3	71	0	0	0	0	113.8	K1018 R1019 D1020	K1018-S1022 WeakPolarHBondContact O-CB 3.44Å; K1018-S1022 PolarHBondContact O-N 2.85Å; K1018-S1022 PolarHBondContact O-OG 3.13Å; R1019-S1022 WeakPolarHBondContact CA-OG 3.37Å; R1019-S1022 PolarHBondContact O-N 3.12Å; R1019-S1022 PolarHBondContact O-OG 2.85Å; D1020-S1022 VanDerWaalsContact C-N 3.31Å; D1020-S1022 PolarHBondContact O-N 3.36Å
1023	A	40.3	Very low	40.6	Very low	72 Å²	72	130.1 Å²	130.1	60%	0.595	69%	0.694	S	S	*	*	H	α-helix	trans	-78.1	-29.8	174.7	0	0	0	0	0	112.6	R1019 D1020 E1021 V1025	R1019-A1023 PolarHBondContact O-N 3.38Å; D1020-A1023 PolarHBondContact O-N 3.37Å; E1021-A1023 VanDerWaalsContact C-N 3.32Å; E1021-A1023 PolarHBondContact O-N 3.03Å; A1023-V1025 VanDerWaalsContact C-N 3.32Å; A1023-V1025 PolarHBondContact O-N 3.24Å
1024	A	40	Very low	39.7	Very low	88 Å²	88	132.1 Å²	132.1	73%	0.727	71%	0.708	S	S	*	*	H	α-helix	trans	-74.5	-14.5	-176.3	0	0	0	0	0	115	D1020 E1021	D1020-A1024 PolarHBondContact O-N 3.14Å; E1021-A1024 PolarHBondContact O-N 3.11Å
1025	V	41	Very low	38.9	Very low	121 Å²	121	132.9 Å²	132.9	73%	0.733	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	0.5	-168.4	178.3	0	0	0	0	113.6	E1021 A1023	E1021-V1025 WeakPolarHBondContact O-CG2 3.38Å; A1023-V1025 VanDerWaalsContact C-N 3.32Å; A1023-V1025 PolarHBondContact O-N 3.24Å
1026	Q	33.5	Very low	37.6	Very low	169 Å²	169	140.3 Å²	140.3	79%	0.79	75%	0.75	S	S	*	*			trans	-125.4	44.8	-167.2	-142.7	169.7	18.5	0	0	116.6
1027	I	36.3	Very low	37.2	Very low	156 Å²	156	144.5 Å²	144.5	80%	0.8	77%	0.768	S	S	*	*			trans	-135.5	92.5	160	-50.9	178.8	0	0	0	110.9
1028	T	27.9	Very low	36.6	Very low	136 Å²	136	146.3 Å²	146.3	83%	0.834	78%	0.778	S	S	*	*			trans	-126.6	111.5	162.9	-1.8	0	0	0	0	108.1	E1030	T1028-E1030 PolarHBondContact O-N 2.93Å
1029	M	32.6	Very low	35.9	Very low	185 Å²	185	147.1 Å²	147.1	91%	0.911	79%	0.789	S	S	*	*			trans	-71	125.5	179	-70.7	-170.9	179.8	0	0	110.8	G1031	M1029-G1031 PolarHBondContact O-N 3.1Å
1030	E	30.3	Very low	35.5	Very low	205 Å²	205	144.5 Å²	144.5	96%	0.958	79%	0.793	S	S	*	*			trans	-86.8	108	172.5	-153.4	171.4	-154.9	0	0	109.7	T1028	T1028-E1030 PolarHBondContact O-N 2.93Å
1031	G	29.6	Very low	34.8	Very low	66 Å²	66	146.9 Å²	146.9	68%	0.68	81%	0.807	S	S	*	*			trans	-132.3	88	-175.4	0	0	0	0	0	112.4	M1029	M1029-G1031 PolarHBondContact O-N 3.1Å
1032	S	30.3	Very low	34.1	Very low	122 Å²	122	147.5 Å²	147.5	85%	0.853	82%	0.818	S	S	*	*			trans	51.9	110.4	154	-56	0	0	0	0	119.3
1033	R	28.7	Very low	33.5	Very low	255 Å²	255	152.6 Å²	152.6	96%	0.962	84%	0.838	S	S	*	*			trans	-129.6	120.5	148.4	-85.5	-169.9	173.6	-176	-1.1	111.7
1034	L	33.2	Very low	33	Very low	165 Å²	165	158.8 Å²	158.8	86%	0.864	86%	0.857	S	S	*	*			trans	-93.7	128.3	164.9	-89.6	160.2	0	0	0	109.2
1035	V	36.4	Very low	32.4	Very low	128 Å²	128	164.7 Å²	164.7	78%	0.776	87%	0.868	S	S	*	*			trans	46.7	96.4	147.2	-168.2	0	0	0	0	117.7
1036	Q	28.7	Very low	31.6	Very low	268 Å²	268	168.6 Å²	168.6	100%	1.252	88%	0.88	S	S	*	*				-160.9	0	105.2	-123	174.3	1.8	0	0	111.5

Retrieved 1,036 of 1,036 residues in 2764.9 ms (Link to these results)

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